TITLE

TITLE
EXPDTA
AUTHOR
REVDAT
JRNL
JRNL
JRNL
JRNL
JRNL
JRNL
JRNL
JRNL
JRNL
REMARK
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SWISS-MODEL SERVER (http://swissmodel.expasy.org)

2 GG
THEORETICAL MODEL (SWISS-MODEL SERVER)
SWISS-MODEL SERVER (SEE REFERENCE IN JRNL Records)
1 22-OCT-14 1MOD
1
09:41
AUTH M.BIASINI,S.BIENERT,A.WATERHOUSE,K.ARNOLD,G.STUDER,
AUTH 2 T.SCHMIDT,F.KIEFER,T.GALLO CASSARINO,M.BERTONI,L.BORDOLI,
AUTH 3 T.SCHWEDE
TITL SWISS-MODEL: MODELLING PROTEIN TERTIARY AND QUATERNARY
TITL 2 STRUCTURE USING EVOLUTIONARY INFORMATION
REF
NUCLEIC.ACIDS.RES
2014
REFN
ISSN 0305-1048
PMID 24782522
DOI
10.1093/nar/gku340
1
1 REFERENCE 1
1 AUTH K.ARNOLD,L.BORDOLI,J.KOPP,T.SCHWEDE
1 TITL SWISS-MODEL WORKSPACE: A WEB-BASED ENVIRONMENT FOR PROTEIN
1 TITL 2 STRUCTURE HOMOLOGY MODELLING
1 REF
BIOINFORMATICS
V. 22 195 2006
1 REFN
ISSN 1367-4803
1 PMID 16301204
1 DOI
10.1093/bioinformatics/bti770
1
1 REFERENCE 2
1 AUTH P.BENKERT,,M.BIASINI,T.SCHWEDE
1 TITL TOWARD THE ESTIMATION OF THE ABSOLUTE QUALITY OF INDIVIDUAL
1 TITL 2 PROTEIN STRUCTURE MODELS
1 REF
BIOINFORMATICS
V. 3 343 2011
1 REFN
ISSN 1367-4803
1 PMID 21134891
1 DOI
10.1093/bioinformatics/btq662
1
1 REFERENCE 3
1 AUTH F.KIEFER,K.ARNOLD,M.KUENZLI,L.BORDOLI,T.SCHWEDE
1 TITL THE SWISS-MODEL REPOSITORY AND ASSOCIATED RESOURCES
1 REF
NUCLEIC.ACIDS.RES
V. 37 D387 2009
1 REFN
ISSN 0305-1048
1 PMID 18931379
1 DOI
10.1093/nar/gkn750
1
1
1 REFERENCE 4
1 AUTH T.SCHWEDE,J.KOPP,N.GUEX,M.C.PEITSCH
1 TITL SWISS_MODEL: AN AUTOMATED PROTEIN HOMOLOGY-MODELING
1 TITL 2 SERVER
1 REF
NUCLEIC.ACIDS.RES.
V. 31 3381 2003
1 REFN
ISSN 0305-1048
1 PMID 12824332
1 DOI
10.1093/nar/gkg520
1
1 REFERENCE 5
1 AUTH M.C.PEITSCH,N.GUEX
1 TITL SWISS-MODEL AND THE SWISS-PDBVIEWER: AN ENVIRONMENT
1 TITL 2 FOR COMPARATIVE PROTEIN MODELLING
1 REF
ELECTROPHORESIS
V. 18 2714 1997
1 REFN
ISSN
1 DOI
10.1002/elps.1150181505
1 PMID 9504803
1

REMARK
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1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3

REFERENCE 6
AUTH M.C.PEITSCH
TITL PROTEIN MODELING BY E-MAIL
REF
BIO/TECHNOLOGY
V. 13 658
REFN
ISSN 1087-0156
DOI
10.1038/nbt0795-658

1995

DISCLAIMER
The SWISS-MODEL SERVER produces theoretical models for proteins.
The results of any theoretical modelling procedure is
NON-EXPERIMENTAL and MUST be considered with care. These models may
contain significant errors. This is especially true for automated
modeling since there is no human intervention during model
building. Please read the header section and the logfile carefully
to know what templates and alignments were used during the model
building process. All information by the SWISS-MODEL SERVER is
provided "AS-IS", without any warranty, expressed or implied.
COPYRIGHT NOTICE
This SWISS-MODEL protein model is copyright. It is produced by the
SWISS-MODEL Server Group at Swiss Institute of Bioinformatics. There
are no restrictions on the use of individual models for your or your
employer's research projects. If you publish or patent any results
obtained from this model, please cite the papers mentioned under
JRNL.
FAIR USE NOTICE
Downloading the entire data-base or substantial portions of it,
systematic or automatic submission of data, mirroring the
repository, or further redistribution of substantial portions data
obtained from SWISS-MODEL is prohibited and requires written
permission from the SWISS-MODEL Server Group at Swiss Institute of
Bioinformatics.
MODEL INFORMATION
ENGIN PROMOD
VERSN 3.70
OSTAT homo-tetramer
OSRSN PREDICTION
GMQE
NA
QMN4
-1.85
MODEL
NAME
BIND
BIND
BIND
BIND
BIND

LIGAND 1
CA
A.217
2 A.221
3 A.248
4 A.270
5 _.2

MODEL
NAME
BIND
BIND
BIND
BIND
BIND

LIGAND 2
CA
A.92
2 B.92
3 C.92
4 D.92
5 _.3

MODEL LIGAND 3
NAME
CA

REMARK
REMARK
REMARK
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REMARK
REMARK
REMARK
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REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK

3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3

BIND
BIND
BIND
BIND
BIND

2
3
4
5

B.217
B.221
B.248
B.270
_.6

MODEL
NAME
BIND
BIND
BIND
BIND
BIND

LIGAND 4
CA
C.217
2 C.221
3 C.248
4 C.270
5 _.10

MODEL
NAME
BIND
BIND
BIND
BIND
BIND

LIGAND 5
CA
D.217
2 D.221
3 D.248
4 D.270
5 _.14

MODEL
NAME
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND

LIGAND 6
ST4
A.40
2 A.41
3 A.73
4 A.74
5 A.101
6 A.147
7 A.150
8 A.199
9 A.200
10 A.216
11 A.298
12 A.333
13 _.4

MODEL
NAME
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND

LIGAND 7
ST4
B.40
2 B.41
3 B.73
4 B.74
5 B.101
6 B.147
7 B.150
8 B.199
9 B.200
10 B.216
11 B.298
12 B.333
13 _.8

MODEL
NAME
BIND
BIND
BIND
BIND

LIGAND 8
ST4
C.40
2 C.41
3 C.73
4 C.74

REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
REMARK
ATOM
ATOM
ATOM
ATOM
ATOM

3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3

BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
MODEL
NAME
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND
BIND

5
6
7
8
9
10
11
12
13

C.101
C.147
C.150
C.199
C.200
C.216
C.298
C.333
_.12

LIGAND 9
ST4
D.40
2 D.41
3 D.73
4 D.74
5 D.101
6 D.147
7 D.150
8 D.199
9 D.200
10 D.216
11 D.298
12 D.333
13 _.16

TEMPLATE 1
PDBID 1inf
CHAIN A
MMCIF A
PDBV
2014-10-10
SMTLE 1inf.1.A
SMTLV 2014-10-15
MTHD
X-RAY DIFFRACTION 2.40 A
FOUND HHblits
GMQE
0.99
SIM
0.63
SID
99.74
OSTAT homo-tetramer
LIGND NAG
LIGND 2 NAG
LIGND 3 NAG
LIGND 4 NAG
LIGND 5 CA
LIGND 6 CA
LIGND 7 CA
LIGND 8 CA
LIGND 9 CA
LIGND 10 CA
LIGND 11 CA
LIGND 12 CA
LIGND 13 ST4
LIGND 14 ST4
LIGND 15 ST4
LIGND 16 ST4
1 N GLU A 1
51.013 -1.244
2 CA GLU A 1
50.664 -1.417
3 C GLU A 1
50.570 -2.926
4 O GLU A 1
50.645 -3.767
5 CB GLU A 1
49.352 -0.642

29.617
31.039
31.407
30.503
31.293

1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.76

N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65

CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD

GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PRO
PRO
PRO
PRO
PRO
PRO
PRO

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

1
1
1
1
2
2
2
2
2
2
2
3
3
3
3
3
3
3
3
3
4
4
4
4
4
4
4
4
4
4
4
4
4
4
5
5
5
5
5
5
5
6
6
6
6
6
6
6
6
6
6
6
6
7
7
7
7
7
7
7

48.056
47.818
48.456
47.083
50.405
50.139
48.798
48.065
50.125
49.650
50.373
48.527
47.297
46.341
46.713
47.677
48.877
48.616
48.718
48.379
45.080
44.075
44.284
44.611
42.655
42.290
41.856
42.132
41.429
41.580
42.421
41.309
42.164
41.610
44.108
44.208
42.965
41.828
44.500
45.886
44.141
43.261
42.272
42.687
43.878
42.200
41.547
42.320
40.210
41.757
39.644
40.423
39.884
41.728
42.033
42.585
42.073
40.699
39.661
40.268

-1.417
-1.657
-2.568
-0.821
-3.276
-4.667
-5.144
-4.390
-4.624
-3.208
-2.388
-6.418
-7.079
-7.392
-7.278
-8.328
-9.127
-9.796
-9.083
-11.019
-7.632
-8.000
-9.450
-10.322
-7.848
-6.414
-6.038
-5.330
-4.778
-4.310
-5.120
-3.076
-3.883
-2.865
-9.667
-11.009
-11.853
-11.384
-10.892
-10.582
-12.105
-13.125
-14.202
-15.419
-15.556
-14.614
-13.529
-12.483
-13.638
-11.542
-12.702
-11.660
-10.751
-16.250
-17.541
-18.512
-18.619
-18.014
-17.389
-16.030

31.018
29.530
28.956
28.968
32.692
33.102
32.526
31.900
34.631
34.939
33.876
32.713
32.235
33.396
34.565
31.419
31.959
33.310
34.332
33.281
33.062
34.077
34.526
33.717
33.530
33.139
31.938
33.985
31.988
33.225
35.328
33.795
35.891
35.134
35.822
36.431
36.121
36.183
37.942
38.100
38.812
35.889
35.718
36.557
36.865
34.245
33.391
32.905
33.037
32.058
32.182
31.689
30.839
36.978
37.614
36.564
35.448
38.192
37.264
36.907

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.89
0.89
0.89
0.89
0.89
0.89
0.89

C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125

N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
N
CA
C

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
PHE
PHE
PHE

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

8
8
8
8
8
8
8
8
8
8
8
9
9
9
9
9
9
9
9
10
10
10
10
10
10
11
11
11
11
11
11
12
12
12
12
12
12
12
12
12
13
13
13
13
14
14
14
14
14
14
15
15
15
15
15
15
15
16
16
16

43.695
44.349
44.058
43.242
45.859
46.164
46.968
48.387
49.424
49.267
50.630
44.700
44.583
45.478
46.512
44.896
43.975
44.189
42.486
44.975
45.774
47.062
47.133
44.971
43.783
48.110
49.384
49.125
48.270
50.446
50.829
49.788
49.571
50.129
51.235
50.107
49.890
48.463
48.241
47.467
49.285
49.548
48.315
47.328
48.318
47.207
46.926
45.817
47.399
48.637
47.951
47.824
48.225
48.858
48.650
48.329
50.160
47.856
48.252
49.258

-19.133
-20.154
-21.527
-21.640
-19.890
-18.494
-17.681
-17.682
-17.691
-17.777
-17.460
-22.585
-23.873
-23.872
-23.197
-25.060
-25.152
-26.507
-24.951
-24.496
-24.680
-25.447
-26.187
-25.459
-24.721
-25.142
-25.875
-27.302
-27.522
-25.199
-23.480
-28.261
-29.665
-29.952
-29.548
-30.634
-32.115
-32.452
-33.040
-31.972
-30.662
-31.165
-31.979
-32.064
-32.435
-33.264
-33.086
-33.343
-34.748
-35.233
-32.665
-32.393
-30.952
-30.251
-33.410
-33.270
-33.262
-30.560
-29.273
-29.494

36.926
36.080
36.702
37.603
36.040
35.494
36.505
36.125
36.957
38.271
36.475
36.228
36.932
38.167
38.208
36.018
34.790
34.118
35.108
39.222
40.448
40.124
39.136
41.490
41.792
40.870
40.783
41.271
42.135
41.652
41.152
40.641
41.016
42.417
42.772
39.951
40.318
40.783
41.826
40.069
43.157
44.512
44.912
44.175
46.149
46.664
48.157
48.613
46.324
46.853
48.892
50.334
50.674
49.878
51.141
52.525
50.930
51.882
52.472
53.596

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85

N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C
O
N
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185

O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

16
16
16
16
16
16
16
16
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
18
18
18
19
19
19
19
19
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
23
23
23
23
23

49.184
47.052
46.167
45.837
45.708
45.060
44.931
44.610
50.176
51.262
51.409
51.141
52.566
52.470
52.353
52.368
52.328
51.795
52.145
53.215
54.119
52.710
53.015
53.648
53.963
54.592
53.027
53.881
54.553
55.755
53.034
53.794
54.206
53.267
52.092
54.175
54.561
56.002
54.363
53.881
53.190
53.625
54.801
53.544
53.055
51.526
53.682
52.650
52.881
52.340
51.134
52.214
52.702
52.379
54.211
53.239
52.882
53.592
54.603
53.193

-30.458
-28.546
-27.823
-28.368
-26.557
-27.641
-25.832
-26.374
-28.548
-28.593
-27.216
-26.196
-28.990
-30.332
-31.592
-32.707
-31.457
-27.218
-25.984
-25.243
-25.872
-26.385
-25.181
-25.657
-24.476
-24.961
-23.943
-23.132
-21.964
-21.754
-22.613
-21.326
-20.087
-19.772
-20.157
-18.943
-17.566
-17.536
-16.504
-19.187
-18.646
-17.192
-16.848
-19.505
-18.922
-18.889
-19.689
-16.374
-14.967
-14.782
-14.595
-14.006
-14.236
-12.532
-14.044
-14.922
-14.735
-13.485
-13.577
-16.011

54.357
53.067
52.052
50.816
52.391
49.927
51.498
50.261
53.689
54.681
55.326
54.685
53.975
53.228
54.100
53.614
55.411
56.601
57.331
56.513
55.968
58.697
59.590
60.894
61.810
63.043
56.365
55.477
56.196
56.055
54.312
57.084
57.754
58.922
58.926
56.725
57.279
57.795
56.200
59.938
61.114
61.325
61.185
62.335
63.668
63.766
64.829
61.694
62.064
63.481
63.665
61.057
59.614
61.466
59.386
64.445
65.861
66.417
67.120
66.644

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89

O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245

OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2

SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

23
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
25
25
26
26
26
26
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
27
27
27
28
28
28
28
29
29
29
29
29
29
29
29
29
30
30
30
30
30
30
30

52.667
53.033
53.617
53.843
54.835
52.578
51.874
51.781
52.968
52.976
54.018
54.219
51.567
50.582
50.416
49.902
49.668
49.350
54.754
56.020
57.048
57.931
56.604
55.843
56.164
57.525
58.189
57.658
59.391
56.798
57.657
56.920
57.212
58.101
58.613
59.860
57.840
60.344
58.328
59.580
56.008
55.201
55.409
54.591
56.510
56.853
57.112
57.539
58.091
57.991
58.601
57.972
59.721
56.913
57.200
58.714
59.143
56.707
55.199
57.024

-15.886
-12.299
-10.993
-10.848
-10.269
-9.968
-10.647
-12.086
-11.477
-11.382
-12.277
-12.191
-11.636
-10.623
-9.377
-10.757
-8.727
-9.582
-13.045
-13.668
-12.592
-12.824
-14.528
-15.842
-16.870
-17.407
-18.165
-18.493
-18.637
-11.378
-10.195
-9.044
-7.871
-9.714
-10.837
-11.395
-11.254
-12.376
-12.231
-12.791
-9.390
-8.373
-8.346
-7.800
-8.923
-8.990
-7.565
-6.702
-9.861
-11.272
-11.349
-10.823
-11.888
-7.378
-6.087
-5.808
-4.685
-6.106
-6.406
-4.771

67.963
66.120
66.490
68.002
68.440
66.035
64.870
65.365
68.782
70.255
70.942
72.155
70.799
70.215
70.641
69.077
69.765
68.794
70.133
70.575
70.967
71.788
69.451
69.250
70.334
70.148
71.019
72.189
70.717
70.469
70.643
71.360
71.133
69.255
68.358
68.596
67.282
67.744
66.427
66.658
72.278
72.990
74.509
75.251
74.971
76.403
76.909
76.144
76.670
76.076
74.671
73.734
74.577
78.206
78.870
78.801
78.578
80.329
80.381
81.029

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.81
0.81
0.81
0.81
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67

O
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305

CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O

ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

30
31
31
31
31
31
31
31
31
31
32
32
32
32
33
33
33
33
33
33
33
33
34
34
34
34
34
34
35
35
35
35
35
36
36
36
36
36
36
36
37
37
37
37
37
37
37
37
38
38
38
38
38
38
38
38
39
39
39
39

54.675
59.485
60.956
61.512
62.701
61.593
61.075
61.905
61.942
62.847
60.674
60.994
61.034
60.425
61.615
61.714
60.956
61.429
63.184
63.933
63.414
65.197
59.805
58.981
57.576
57.177
58.916
60.215
56.860
55.491
54.624
54.433
55.559
54.225
53.270
51.885
51.474
53.300
53.654
54.664
51.253
49.875
48.881
49.039
49.431
50.158
49.733
49.795
47.908
46.771
45.721
45.098
46.177
47.188
44.826
46.713
45.494
44.565
43.567
43.698

-6.721
-6.870
-6.815
-6.706
-6.474
-7.992
-9.376
-10.484
-10.389
-11.394
-7.123
-7.022
-5.553
-4.694
-5.349
-4.010
-3.882
-3.306
-3.634
-3.352
-2.840
-3.695
-4.538
-4.511
-3.959
-3.704
-5.894
-6.265
-3.729
-3.183
-3.739
-3.075
-1.649
-5.015
-5.625
-5.016
-4.789
-7.113
-7.151
-6.012
-4.635
-4.108
-5.139
-6.346
-3.691
-2.450
-2.229
-1.199
-4.636
-5.434
-5.510
-4.494
-4.809
-4.883
-5.450
-4.239
-6.708
-6.908
-8.055
-8.828

81.786
79.018
78.928
77.498
77.318
79.665
79.247
79.898
81.425
81.988
76.532
75.096
74.641
75.269
73.462
72.834
71.501
70.516
72.631
73.930
74.905
73.926
71.423
70.200
70.449
71.580
69.546
69.082
69.356
69.411
68.265
67.234
69.423
68.377
67.441
67.668
68.812
67.785
69.269
69.379
66.568
66.607
67.157
66.961
65.203
64.679
63.234
65.482
67.904
68.405
67.286
66.962
69.683
70.840
70.046
72.151
66.785
65.654
65.901
66.847

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.67
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.79
0.79
0.79
0.79
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80

C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365

CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
SG

ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

39
39
39
39
40
40
40
40
40
40
40
40
40
40
40
41
41
41
41
41
41
41
41
41
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
45
45
45
45
45
46
46
46
46
46
46

45.344
45.965
46.361
47.002
42.737
41.725
41.203
41.581
40.574
40.761
40.224
38.773
37.849
38.143
36.593
40.480
40.018
41.160
41.103
38.821
37.554
37.616
38.357
36.886
42.268
43.368
42.945
42.104
44.539
43.856
42.580
43.544
43.355
44.498
45.215
41.985
41.850
42.201
41.295
41.989
41.081
41.425
44.698
45.781
45.181
44.272
46.826
48.015
47.366
45.706
45.373
46.674
47.631
44.456
46.710
47.907
47.631
46.487
48.367
48.666

-7.110
-8.512
-5.991
-8.955
-8.247
-9.311
-9.270
-8.381
-9.110
-9.955
-11.375
-11.417
-12.136
-12.931
-12.122
-10.318
-10.554
-10.382
-9.486
-9.668
-9.871
-9.241
-8.247
-9.763
-11.124
-11.108
-11.913
-12.814
-11.767
-12.811
-12.091
-11.554
-12.261
-11.896
-10.913
-11.949
-10.527
-10.285
-9.516
-9.032
-8.262
-8.021
-12.747
-12.550
-12.479
-13.233
-13.680
-13.462
-13.822
-11.535
-11.377
-11.198
-10.608
-10.166
-11.774
-11.746
-11.036
-10.873
-13.179
-14.200

64.330
64.157
64.052
65.196
64.882
64.730
63.291
62.515
65.724
66.986
66.813
67.069
66.426
65.415
66.844
62.908
61.519
60.479
59.630
61.131
61.966
63.364
63.542
64.227
60.632
59.658
58.428
58.508
60.389
61.265
61.700
57.309
56.032
55.084
55.291
55.406
54.854
53.531
55.629
52.974
55.069
53.743
54.091
53.111
51.702
51.355
53.225
52.281
54.653
50.934
49.509
48.723
49.229
49.337
47.531
46.674
45.347
44.910
46.388
47.878

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.93
0.93
0.93
0.93
0.93
0.91
0.91
0.91
0.91
0.91
0.91

C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
N
C
C
O
C
S

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425

N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O

GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
50
51
51
51
51
51
51
52
52
52
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
53
53
53
54
54
54
54

48.730
48.789
49.737
50.256
50.055
51.031
52.444
53.185
51.042
49.641
49.365
52.761
54.132
54.327
55.462
54.573
54.549
55.641
57.007
56.980
53.232
53.301
51.939
50.916
54.006
53.281
53.800
54.920
53.028
52.020
50.878
51.067
52.194
50.864
50.676
49.953
49.953
49.047
48.052
49.513
50.348
50.361
51.188
50.911
49.826
51.747
49.442
48.763
47.980
48.573
49.835
49.295
50.036
48.046
49.244
48.012
46.667
45.709
45.089
45.068

-10.548
-10.046
-10.946
-11.930
-10.544
-11.259
-11.287
-12.245
-10.480
-9.879
-9.496
-10.260
-10.030
-10.262
-10.388
-8.612
-8.402
-9.180
-8.493
-7.181
-10.283
-10.484
-10.686
-10.232
-9.322
-7.972
-6.976
-7.176
-6.043
-11.215
-11.362
-10.390
-10.094
-12.786
-14.094
-9.877
-8.946
-9.487
-10.172
-7.540
-7.040
-5.522
-4.987
-3.910
-3.189
-3.527
-9.168
-9.616
-8.438
-7.450
-10.146
-10.792
-11.068
-11.184
-11.618
-11.705
-8.552
-7.525
-7.896
-9.068

44.787
43.411
42.596
43.132
41.360
40.511
41.117
40.931
39.195
39.128
40.580
41.907
42.398
43.902
44.353
42.009
40.487
39.741
39.842
39.178
44.668
46.128
46.795
46.289
46.841
46.766
47.810
48.330
48.105
48.006
48.920
50.089
50.504
49.472
48.209
50.578
51.718
52.820
52.554
51.298
50.116
49.989
51.084
51.812
51.568
52.769
54.038
55.257
55.849
56.289
56.217
57.498
58.567
57.762
59.481
58.985
55.733
56.187
57.534
57.923

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.89
0.89
0.89
0.89
0.89
0.89
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.91
0.91
0.91
0.91

N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485

CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C
O
CB
N

PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
GLN

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

54
54
54
54
54
54
54
55
55
55
55
55
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
59
59
59
59
60
60
60
60
60
61
61
61
61
61
62

44.583
45.074
45.539
45.030
45.966
45.458
45.929
44.612
43.970
43.315
43.505
45.009
42.538
41.839
42.430
42.202
40.346
39.489
39.978
38.096
43.387
44.031
43.052
42.237
45.355
46.027
45.173
43.248
42.571
43.377
43.248
42.310
40.940
40.678
39.794
39.358
38.814
44.269
45.140
45.970
46.217
44.265
44.932
46.020
44.448
46.634
45.054
46.151
46.765
46.331
47.136
48.139
47.932
46.218
49.251
50.338
50.595
50.114
51.609
51.290

-7.368
-6.768
-7.600
-5.393
-7.049
-4.844
-5.671
-6.867
-6.983
-5.663
-4.623
-7.391
-5.751
-4.607
-4.346
-5.091
-4.926
-4.634
-5.310
-5.176
-3.432
-3.069
-2.278
-1.505
-2.311
-2.168
-0.923
-2.402
-1.536
-0.264
0.353
-2.316
-2.982
-4.254
-2.354
-4.400
-3.226
0.073
1.260
1.327
2.391
2.510
3.518
4.266
3.667
5.154
4.562
5.301
6.169
0.151
-0.002
-1.144
-2.035
-0.279
-1.043
-2.037
-2.699
-2.232
-1.356
-3.829

55.164
53.848
52.836
53.664
51.635
52.462
51.448
58.224
59.549
59.969
59.335
60.602
61.040
61.649
63.033
63.988
61.769
60.533
59.251
60.826
63.062
64.337
65.215
64.707
64.124
65.379
63.501
66.519
67.504
67.800
68.855
68.794
68.760
68.472
68.993
68.511
68.841
66.862
66.915
68.217
68.779
66.740
65.812
66.238
64.522
65.371
63.651
64.077
63.235
68.725
69.950
69.764
68.935
71.146
70.477
70.408
71.767
72.803
69.892
71.710

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.86
0.86
0.86
0.86
0.86
0.76

C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C
O
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545

CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N

GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
THR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
64
64
64
64
65
65
65
65
66
66
66
66
66
66
66
66
66
66
66
66
67
67
67
67
67
67
67
67
67
67
67
67
68
68
68
68
68
68
68
68
69
69
69
69
70

51.689
53.228
53.895
51.159
51.335
51.649
51.741
51.873
53.750
52.992
52.573
53.193
53.948
55.320
55.184
51.468
50.908
49.951
49.883
49.174
48.231
46.787
46.007
46.433
45.071
44.407
43.897
45.095
45.673
44.916
46.910
45.393
47.390
46.629
47.129
44.486
43.917
42.395
41.750
44.531
46.035
46.670
46.761
48.021
48.113
48.741
50.067
41.823
40.364
39.728
40.106
40.012
38.558
38.265
37.625
38.774
38.090
38.650
37.925
39.857

-4.582
-4.606
-4.927
-6.014
-6.743
-8.232
-8.802
-8.884
-4.242
-3.704
-2.250
-1.536
-3.834
-3.647
-4.357
-1.878
-0.519
-0.270
-1.069
0.809
1.211
1.442
2.045
0.911
1.067
-0.291
-0.553
1.957
3.350
4.317
3.679
5.616
4.977
5.947
7.203
-1.183
-2.541
-2.602
-3.465
-3.513
-3.735
-3.518
-4.232
-3.787
-4.510
-4.286
-4.532
-1.707
-1.663
-1.328
-0.358
-0.607
-0.701
-0.577
-0.943
-2.181
-2.010
-2.914
-3.229
-3.446

72.909
73.029
72.047
72.819
74.155
73.997
72.921
75.112
74.205
75.350
75.090
74.300
76.534
75.887
74.538
75.733
75.635
76.802
77.736
76.677
77.740
77.276
78.006
76.107
75.554
75.264
74.177
74.303
74.560
75.209
74.024
75.316
74.132
74.771
74.918
76.251
76.128
76.239
75.659
77.137
76.949
75.726
78.021
75.581
77.877
76.658
76.523
77.036
77.199
75.840
75.189
78.249
78.728
79.903
77.826
75.445
74.150
73.043
72.108
73.225

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.73
0.73
0.73
0.73
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.74
0.74
0.74
0.74
0.76

C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605

CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD

THR
THR
THR
THR
THR
THR
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

70
70
70
70
70
70
71
71
71
71
71
71
71
71
71
71
71
72
72
72
72
72
72
72
72
72
73
73
73
73
73
73
73
73
74
74
74
74
74
74
74
74
74
74
74
75
75
75
75
75
75
75
75
76
76
76
76
76
76
76

40.494
39.662
39.700
41.891
41.789
42.869
38.942
38.087
36.803
36.193
37.784
37.657
37.475
37.433
36.573
35.661
36.560
36.329
35.141
35.485
36.639
34.396
35.097
34.116
34.791
33.768
34.448
34.620
34.563
35.100
33.565
33.543
34.403
32.639
33.796
33.500
33.754
33.302
32.052
31.902
30.449
29.795
28.955
28.669
28.339
34.406
34.725
35.435
35.902
35.582
36.929
37.689
37.269
35.556
36.167
37.695
38.288
35.779
34.261
33.878

-4.334
-5.590
-6.131
-4.787
-5.497
-3.607
-6.057
-7.244
-7.011
-7.971
-7.742
-9.259
-9.806
-11.272
-12.072
-11.592
-13.363
-5.763
-5.421
-5.281
-5.154
-4.188
-2.848
-1.710
-0.351
0.702
-5.213
-5.239
-3.865
-3.698
-6.153
-7.548
-8.369
-7.752
-2.936
-1.663
-0.429
-0.350
-1.670
-2.619
-2.770
-3.789
-3.549
-2.317
-4.550
0.544
1.858
2.759
2.302
1.717
1.041
1.440
0.081
4.025
5.075
4.973
5.768
6.453
6.639
8.006

72.224
71.923
70.827
72.663
73.905
72.705
72.942
72.826
72.005
71.541
74.235
74.203
75.613
75.689
75.059
74.225
75.305
71.960
71.151
69.657
69.285
71.683
71.452
71.699
71.541
71.551
68.829
67.361
66.676
65.587
66.727
67.357
66.981
68.199
67.245
66.561
67.419
68.563
66.071
64.881
64.440
65.277
66.281
66.655
66.889
66.793
67.390
66.370
65.327
68.661
68.407
67.534
69.232
66.747
65.906
65.736
65.010
66.450
66.477
67.032

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.76
0.76
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.75
0.75
0.75
0.75
0.75
0.75
0.75

C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665

CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
N

LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

76
76
77
77
77
77
77
77
77
77
78
78
78
78
78
78
78
78
78
78
78
79
79
79
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
82
82
82
82
82
82
83
83
83
83
83
83
83
84

32.364
31.999
38.336
39.791
40.244
41.280
40.471
40.772
41.512
39.515
39.459
39.891
40.204
39.524
38.887
38.713
38.027
39.003
38.700
37.444
39.652
41.324
41.839
42.251
42.809
43.043
42.633
42.059
42.897
41.963
42.489
42.036
42.524
44.011
44.381
41.694
42.112
41.750
41.480
44.842
46.308
46.805
46.111
47.043
46.708
46.768
48.036
48.688
50.205
50.768
48.239
48.733
50.810
52.257
52.422
51.494
52.937
52.775
52.441
53.603

8.098
9.405
4.052
3.847
2.790
2.983
3.573
4.825
5.908
5.355
1.734
0.595
0.980
1.799
-0.557
-1.175
-2.533
-3.602
-4.877
-5.291
-5.794
0.437
0.647
-0.664
-1.561
1.594
3.067
3.718
3.958
4.999
5.156
-0.683
-1.740
-1.503
-0.508
-1.711
-2.776
-4.189
-2.471
-2.371
-2.309
-3.485
-4.494
-2.269
-0.975
-3.497
-3.353
-4.436
-4.304
-3.209
-4.472
-3.287
-5.463
-5.637
-6.652
-7.412
-6.119
-5.096
-7.494
-6.706

67.208
67.766
66.453
66.328
65.320
64.682
67.677
68.517
67.719
69.206
65.128
64.292
62.842
62.215
64.281
65.667
65.560
65.267
65.014
64.933
64.926
62.390
61.025
60.352
60.990
61.055
61.084
62.091
60.133
61.755
60.540
59.043
58.142
57.838
57.205
56.853
55.830
56.292
54.472
58.386
58.215
57.372
57.220
59.568
60.309
60.450
56.900
56.147
56.155
56.220
54.688
54.085
56.053
55.851
54.713
54.424
57.150
58.277
57.616
54.116

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83

C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725

CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA

LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86
86
87
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
89
89
89
89
89
89
89
90
90
90
90
90
90
90
91
91
91
91
91
91
91
92
92

53.904
53.873
54.321
55.286
55.624
57.064
57.393
56.524
53.319
53.294
54.718
55.513
52.550
52.375
51.519
51.768
55.013
56.349
56.938
57.837
56.408
56.816
55.911
54.724
56.642
57.320
58.847
59.501
60.946
56.504
55.754
54.957
55.549
56.683
57.480
55.920
56.649
53.627
52.724
52.970
52.384
51.310
51.475
52.843
53.878
54.251
53.909
53.782
55.748
56.498
56.140
53.906
53.602
54.274
53.604
54.031
53.819
53.267
55.604
56.411

-7.790
-9.127
-9.204
-7.559
-8.650
-8.532
-9.665
-9.612
-10.150
-11.501
-12.008
-12.203
-12.485
-13.851
-13.743
-14.856
-12.065
-12.461
-11.452
-11.787
-10.234
-9.159
-9.202
-9.534
-7.793
-7.686
-7.793
-6.596
-6.601
-8.897
-8.773
-7.453
-6.389
-8.888
-10.207
-8.720
-11.501
-7.542
-6.374
-5.516
-5.709
-6.961
-8.335
-8.789
-4.565
-3.662
-2.223
-1.931
-3.765
-3.400
-5.152
-1.326
0.114
0.668
1.098
0.942
2.451
0.505
0.601
1.126

53.162
53.924
55.074
52.552
51.537
51.046
50.071
48.887
53.283
53.866
54.156
53.242
52.956
53.634
54.901
52.655
55.459
55.951
56.945
57.720
56.923
57.843
59.076
58.982
57.166
55.793
55.824
56.510
56.261
60.222
61.486
61.457
61.256
62.712
62.702
64.039
62.755
61.601
61.647
62.898
63.966
61.656
61.014
61.515
62.755
63.864
63.483
62.296
64.179
63.020
64.693
64.467
64.264
62.991
62.060
65.494
65.307
66.745
62.989
61.873

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.74
0.74

C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785

C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
SD
CE
N
CA

GLU
GLU
GLU
GLU
GLU
GLU
GLU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

92
92
92
92
92
92
92
93
93
93
93
93
93
93
93
94
94
94
94
94
94
95
95
95
95
95
95
95
95
96
96
96
96
96
96
96
96
96
96
96
97
97
97
97
97
97
97
97
97
97
98
98
98
98
98
98
98
98
99
99

56.296
56.302
57.881
58.091
59.573
60.427
59.832
56.276
56.156
54.846
54.838
56.323
57.703
57.908
58.685
53.764
52.400
52.142
52.754
51.384
51.529
51.229
50.681
49.171
48.445
50.999
50.445
50.492
51.282
48.750
47.323
46.623
46.992
47.179
47.649
48.999
46.719
49.416
47.137
48.485
45.610
44.898
43.691
43.446
44.455
45.662
46.377
46.072
47.245
47.024
42.918
41.709
41.081
41.351
40.663
39.984
38.750
39.816
40.242
39.406

0.281
0.824
1.238
2.172
2.432
1.621
3.511
-1.046
-1.965
-1.829
-1.904
-3.424
-3.999
-5.199
-3.141
-1.681
-1.575
-0.269
0.767
-1.710
-3.008
-0.397
0.712
0.804
-0.184
0.502
1.613
-0.819
2.886
1.937
2.192
2.620
3.626
3.261
2.752
2.521
2.567
2.101
2.152
1.919
1.848
2.067
2.996
3.811
0.745
-0.026
0.286
-1.202
-0.696
-1.608
2.821
3.619
3.188
2.086
3.490
2.120
1.994
1.319
4.065
3.749

60.599
59.501
62.271
63.466
63.756
63.340
64.328
60.762
59.612
58.833
57.606
60.042
59.714
59.692
59.511
59.583
59.041
58.285
58.543
60.172
60.759
57.336
56.532
56.800
56.635
55.031
54.137
54.456
54.190
57.331
57.602
56.309
55.703
58.689
60.055
60.303
61.069
61.557
62.328
62.573
55.935
54.659
54.775
53.893
54.032
53.517
52.444
53.978
52.230
53.159
55.845
56.119
57.448
57.947
54.991
54.921
53.582
52.334
57.981
59.155

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.82
0.82

C
O
C
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
S
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845

C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N

ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

99
99
99
100
100
100
100
100
101
101
101
101
101
101
101
101
101
101
101
101
101
101
102
102
102
102
102
102
103
103
103
103
104
104
104
104
104
104
105
105
105
105
105
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
108

38.334
37.687
38.736
38.196
37.235
37.269
38.342
37.562
36.089
35.912
35.333
34.878
35.075
33.867
33.770
32.664
32.559
31.857
32.187
30.570
30.905
30.098
35.504
35.142
35.792
35.738
33.617
33.259
36.388
37.167
37.397
37.089
37.828
38.168
39.203
39.471
36.904
37.202
39.851
40.864
41.228
41.078
42.144
41.620
42.025
42.708
42.390
40.834
39.373
43.594
44.370
43.783
43.645
45.823
46.769
47.050
47.513
47.967
48.248
43.543

2.732
2.893
5.022
1.679
0.587
-0.448
-0.814
-0.148
-0.951
-2.063
-3.329
-4.265
-1.606
-0.749
0.560
-1.181
0.974
-0.059
-2.419
-0.166
-2.526
-1.399
-3.383
-4.505
-4.186
-3.034
-4.591
-5.664
-5.201
-4.949
-6.172
-7.312
-5.831
-6.760
-6.045
-4.855
-7.068
-7.917
-6.793
-6.257
-7.309
-8.507
-5.848
-6.825
-7.677
-6.871
-5.702
-8.399
-7.388
-7.564
-6.968
-7.483
-8.687
-7.407
-6.603
-6.859
-5.575
-5.985
-5.192
-6.551

58.750
57.713
59.671
59.547
59.290
60.414
60.898
57.984
60.734
61.693
61.036
61.689
62.894
62.505
62.713
61.967
62.343
61.883
61.548
61.371
61.027
60.938
59.717
58.831
57.483
57.044
58.669
57.791
56.849
55.624
54.739
55.086
53.540
52.446
51.572
51.770
51.633
50.522
50.693
49.765
48.723
48.961
50.505
47.556
46.427
45.334
45.110
45.803
45.360
44.642
43.552
42.235
42.019
43.732
42.845
41.573
43.232
41.171
42.194
41.331

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.88
0.88
0.88
0.88
0.88
0.88
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.95
0.95
0.95
0.95
0.95
0.94
0.94
0.94
0.94
0.94
0.94
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93

C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
N
C
C
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905

CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2

ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

108
108
108
108
108
108
108
109
109
109
109
110
110
110
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
112
112
112
112
112
112
112
112
112
113
113
113
113
113
113
113
114
114
114
114
114
114
114
114

42.909
43.892
43.493
41.962
42.653
43.872
41.925
45.183
46.273
47.069
48.239
46.449
47.053
47.313
48.458
46.206
46.120
45.862
45.890
45.298
44.647
45.346
46.242
46.338
45.582
44.915
45.829
46.948
47.849
47.359
48.965
45.669
44.902
43.587
43.499
45.700
46.817
48.110
46.691
48.808
47.974
45.597
48.172
45.795
47.081
42.585
41.269
41.160
41.144
40.127
40.199
38.735
41.101
40.902
39.449
38.885
41.815
43.240
44.182
43.582

-6.861
-7.164
-7.329
-5.715
-4.359
-4.250
-3.413
-7.133
-7.304
-6.008
-6.051
-4.885
-3.554
-2.814
-2.512
-2.726
-3.476
-2.536
-3.345
-3.023
-1.876
-3.847
-2.526
-1.925
-2.752
-3.743
-0.474
0.528
0.077
0.096
-0.389
-2.295
-2.868
-2.111
-0.892
-2.791
-3.828
-3.616
-5.104
-4.695
-5.624
-5.855
-6.910
-7.145
-7.667
-2.894
-2.390
-2.729
-3.908
-3.064
-2.710
-2.705
-1.682
-1.828
-1.464
-0.539
-0.879
-0.840
-1.765
0.146

40.027
38.879
37.730
39.652
39.461
39.743
39.115
39.218
38.236
38.017
37.656
38.383
38.192
39.509
39.829
37.220
35.891
34.728
33.500
32.353
32.228
31.316
40.242
41.578
42.625
42.294
41.564
41.884
43.044
44.197
42.742
43.867
44.979
45.173
44.996
46.280
46.366
46.133
46.885
46.487
46.947
47.298
47.421
47.763
47.821
45.529
45.954
47.438
47.808
45.172
43.789
45.703
48.237
49.687
49.985
49.384
50.466
49.926
50.349
49.011

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91

C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965

CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA

TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASP
ASP

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
122
122
123
123

45.478
44.880
45.830
47.099
38.844
37.453
37.509
38.271
36.562
36.705
35.088
36.318
36.596
36.499
35.109
34.437
34.640
33.304
33.468
34.205
32.368
30.939
32.318
32.732
32.693
31.507
30.857
34.021
34.250
33.739
34.756
31.304
30.180
29.313
29.708
28.141
27.193
26.648
26.514
26.101
26.092
27.568
26.269
25.680
24.398
24.259
25.358
26.611
27.638
26.502
23.546
22.251
22.393
21.381
21.343
21.745
22.784
21.001
23.627
23.899

-1.695
0.219
-0.695
-0.627
-2.278
-2.074
-1.876
-2.551
-3.281
-3.705
-3.031
-2.640
-1.029
-0.709
-0.183
0.398
-0.571
-0.183
0.482
-0.001
-1.404
-0.991
-2.200
1.566
2.333
3.299
3.485
3.080
4.282
4.242
5.292
3.921
4.834
4.304
3.341
4.909
4.458
3.071
2.732
5.529
6.048
6.023
2.298
0.959
0.987
0.232
0.235
-0.278
-0.418
-0.446
1.954
2.124
2.673
2.943
3.017
4.494
4.901
5.250
2.995
3.587

49.860
48.536
48.965
48.486
50.830
51.267
52.783
53.479
50.898
49.424
51.264
48.387
53.248
54.677
55.004
54.154
56.174
56.653
58.019
58.882
56.746
57.113
55.438
58.186
59.441
59.409
58.380
59.683
58.760
57.621
59.294
60.566
60.780
61.931
62.603
62.140
63.174
62.810
61.637
63.177
61.740
61.351
63.823
63.595
62.765
61.805
64.902
65.603
64.902
66.836
63.095
62.416
60.986
60.336
63.275
63.220
63.722
62.442
60.575
59.256

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.92
0.92
0.92
0.92
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77

C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
1001
1002
1003
1004
1005
1006
1007
1008
1009
1010
1011
1012
1013
1014
1015
1016
1017
1018
1019
1020
1021
1022
1023
1024
1025

C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2

ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

123
123
123
123
123
123
124
124
124
124
124
125
125
125
125
125
125
125
125
126
126
126
126
126
126
126
127
127
127
127
127
127
127
127
127
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130

25.404
25.984
23.255
23.058
23.006
22.812
26.006
27.427
27.601
26.621
27.935
28.854
29.206
30.385
31.378
29.544
29.831
28.595
30.274
30.242
31.304
32.118
31.621
30.704
31.729
30.102
33.380
34.318
35.278
35.849
35.116
34.204
34.993
35.833
36.516
35.398
36.257
37.379
37.136
35.436
34.329
36.357
33.370
38.577
39.811
40.556
40.824
40.640
41.906
42.658
43.899
44.606
40.921
41.687
43.140
43.482
41.067
41.460
41.266
42.037

3.659
4.734
4.983
5.517
4.682
6.737
2.481
2.350
2.587
2.717
0.970
2.602
2.894
2.039
1.887
4.387
4.884
4.790
6.339
1.528
0.778
1.779
2.316
-0.329
-0.980
-1.445
1.910
2.803
1.977
0.974
3.626
4.438
5.263
4.385
5.210
2.418
1.781
2.761
3.917
1.362
0.380
0.733
-0.024
2.199
2.937
2.215
1.010
2.978
3.827
3.816
4.704
4.711
2.980
2.455
2.924
4.057
2.866
1.878
0.519
2.320

58.935
58.801
59.223
57.806
56.873
57.717
58.817
58.440
56.930
56.189
58.866
56.494
55.098
54.624
55.340
55.016
53.598
52.708
53.664
53.407
52.706
51.879
50.890
51.812
50.872
52.664
52.228
51.528
50.674
51.119
52.537
53.464
54.480
55.411
56.411
49.434
48.424
48.066
47.700
47.188
47.608
46.128
46.488
48.047
47.740
46.612
46.706
49.026
48.916
50.244
50.166
51.452
45.593
44.454
44.531
44.174
43.118
42.023
42.247
40.840

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.77
0.77
0.77
0.77
0.77
0.77
0.81
0.81
0.81
0.81
0.81
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82

C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1026
1027
1028
1029
1030
1031
1032
1033
1034
1035
1036
1037
1038
1039
1040
1041
1042
1043
1044
1045
1046
1047
1048
1049
1050
1051
1052
1053
1054
1055
1056
1057
1058
1059
1060
1061
1062
1063
1064
1065
1066
1067
1068
1069
1070
1071
1072
1073
1074
1075
1076
1077
1078
1079
1080
1081
1082
1083
1084
1085

CE1
CE2
CZ
OH
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O

TYR
TYR
TYR
TYR
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

130
130
130
130
131
131
131
131
132
132
132
132
132
132
132
132
132
133
133
133
133
133
134
134
134
134
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
137
138
138
138
138

41.643 -0.406 41.293 1.00 0.82

42.417 1.393 39.881 1.00 0.82
42.217 0.038 40.108 1.00 0.82
42.541 -0.844 39.135 1.00 0.82
43.946 2.044 45.130 1.00 0.88
45.374 2.311 45.378 1.00 0.88
45.548 3.432 46.412 1.00 0.88
45.256 3.245 47.585 1.00 0.88
45.820 4.632 45.913 1.00 0.79
46.059 5.808 46.774 1.00 0.79
44.796 6.655 47.026 1.00 0.79
44.760 7.452 47.964 1.00 0.79
47.143 6.676 46.127 1.00 0.79
47.774 7.668 47.113 1.00 0.79
48.713 6.991 48.118 1.00 0.79
49.556 6.191 47.656 1.00 0.79
48.738 7.470 49.272 1.00 0.79
43.817 6.547 46.131 1.00 0.87
42.642 7.436 46.139 1.00 0.87
41.369 6.752 46.640 1.00 0.87
41.077 5.611 46.288 1.00 0.87
42.408 7.957 44.720 1.00 0.87
40.588 7.523 47.384 1.00 0.81
39.238 7.131 47.827 1.00 0.81
38.258 7.369 46.676 1.00 0.81
38.102 8.487 46.187 1.00 0.81
38.840 7.957 49.050 1.00 0.81
39.680 7.587 50.271 1.00 0.81
40.921 8.181 50.459 1.00 0.81
39.227 6.626 51.165 1.00 0.81
41.717 7.803 51.528 1.00 0.81
40.017 6.248 52.240 1.00 0.81
41.267 6.833 52.414 1.00 0.81
42.043 6.498 53.473 1.00 0.81
37.653 6.280 46.239 1.00 0.85
36.907 6.262 44.962 1.00 0.85
35.383 6.204 45.045 1.00 0.85
34.706 6.770 44.187 1.00 0.85
37.403 5.127 44.064 1.00 0.85
37.403 3.890 44.787 1.00 0.85
38.794 5.450 43.518 1.00 0.85
34.841 5.534 46.063 1.00 0.87
33.387 5.306 46.135 1.00 0.87
32.964 4.729 47.487 1.00 0.87
33.800 4.268 48.265 1.00 0.87
32.962 4.334 45.023 1.00 0.87
31.519 4.539 44.545 1.00 0.87
30.771 5.303 45.199 1.00 0.87
31.172 3.849 43.563 1.00 0.87
31.685 4.899 47.774 1.00 0.87
31.032 4.404 48.995 1.00 0.87
29.708 3.706 48.663 1.00 0.87
29.222 3.765 47.531 1.00 0.87
30.779 5.548 49.981 1.00 0.87
29.897 6.515 49.402 1.00 0.87
32.090 6.173 50.458 1.00 0.87
29.158 3.033 49.664 1.00 0.86
27.884 2.304 49.558 1.00 0.86
27.200 2.308 50.929 1.00 0.86
27.814 1.933 51.931 1.00 0.86

C
C
C
O
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1086
1087
1088
1089
1090
1091
1092
1093
1094
1095
1096
1097
1098
1099
1100
1101
1102
1103
1104
1105
1106
1107
1108
1109
1110
1111
1112
1113
1114
1115
1116
1117
1118
1119
1120
1121
1122
1123
1124
1125
1126
1127
1128
1129
1130
1131
1132
1133
1134
1135
1136
1137
1138
1139
1140
1141
1142
1143
1144
1145

CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
ND2
N

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

138
138
138
138
138
138
138
138
139
139
139
139
139
139
139
139
139
139
140
140
140
140
140
140
141
141
141
141
141
141
141
141
141
141
141
141
142
142
142
142
142
143
143
143
143
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145

28.192
26.933
26.133
26.629
25.036
25.539
24.756
23.878
25.939
25.172
24.441
24.209
24.164
24.866
25.140
25.304
25.749
25.853
24.107
23.316
21.891
21.161
23.290
22.508
21.506
20.165
19.171
17.961
20.279
21.083
20.461
22.427
21.179
23.151
22.524
23.247
19.715
18.910
19.140
18.676
19.196
19.938
20.227
20.603
20.366
19.084
19.112
19.873
18.415
19.655
18.749
21.206
21.719
23.101
23.223
20.747
21.180
20.679
22.184
24.110

0.869
0.133
-0.494
0.041
-1.223
-0.697
-1.339
-2.283
2.719
2.909
1.662
0.694
4.052
5.386
5.925
6.203
7.072
7.251
1.737
0.726
0.656
1.641
1.139
0.220
-0.548
-0.812
-1.409
-1.281
-1.706
-2.988
-4.139
-3.013
-5.322
-4.192
-5.346
-6.481
-2.080
-2.691
-2.029
-2.526
-4.196
-0.960
-0.120
-0.846
-0.343
0.880
1.959
3.049
1.966
3.729
3.063
-2.024
-2.754
-3.337
-4.394
-3.850
-4.363
-3.956
-5.212
-2.574

49.126
48.681
49.626
47.329
49.210
46.909
47.859
47.482
50.936
52.183
52.680
51.952
52.044
51.837
50.654
52.793
50.884
52.198
53.962
54.677
54.104
54.104
56.149
56.903
53.700
53.136
54.143
53.995
51.898
52.137
52.603
51.793
52.709
51.904
52.358
52.518
55.155
56.230
57.599
58.623
56.285
57.604
58.785
60.088
61.185
58.997
57.918
57.945
56.786
56.827
56.114
59.959
61.125
60.831
60.208
61.576
62.952
63.989
62.977
61.229

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.81
0.81
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.72

C
C
C
C
C
C
C
O
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1146
1147
1148
1149
1150
1151
1152
1153
1154
1155
1156
1157
1158
1159
1160
1161
1162
1163
1164
1165
1166
1167
1168
1169
1170
1171
1172
1173
1174
1175
1176
1177
1178
1179
1180
1181
1182
1183
1184
1185
1186
1187
1188
1189
1190
1191
1192
1193
1194
1195
1196
1197
1198
1199
1200
1201
1202
1203
1204
1205

CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C

ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

145
145
145
145
145
145
145
146
146
146
146
146
146
146
146
147
147
147
147
147
147
147
147
147
147
147
148
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
150
151
151
151
151
151
151
152
152
152

25.538
25.855
25.898
25.958
25.814
27.392
25.990
26.056
26.598
28.016
28.784
26.588
27.143
26.408
27.022
28.296
29.562
29.909
29.073
29.504
28.302
28.213
27.076
25.771
25.328
24.872
31.176
31.718
32.371
32.351
32.614
33.096
33.806
33.086
33.667
34.609
34.268
34.406
33.418
34.116
33.710
35.144
35.634
36.726
37.790
38.546
36.233
35.042
35.371
36.435
34.518
37.824
38.773
38.699
37.823
38.484
37.168
39.669
39.873
38.650

-2.943
-3.463
-4.652
-3.942
-3.267
-4.479
-4.220
-2.532
-2.891
-3.455
-2.925
-1.632
-1.828
-2.931
-0.500
-4.560
-5.300
-6.118
-6.298
-6.169
-7.115
-7.830
-8.770
-8.483
-7.248
-9.449
-6.490
-7.167
-8.521
-8.990
-6.178
-6.764
-5.679
-9.044
-10.387
-10.703
-11.612
-10.635
-10.756
-11.157
-10.753
-11.973
-9.868
-10.110
-11.065
-11.719
-10.622
-9.824
-8.365
-7.846
-7.754
-11.089
-11.834
-11.260
-10.445
-13.341
-13.639
-11.641
-11.047
-11.127

61.105
59.692
59.416
62.209
63.581
62.015
64.767
58.778
57.459
57.657
58.461
56.593
55.180
54.408
54.435
56.984
57.155
55.908
55.014
58.423
58.462
59.810
59.842
59.830
59.763
59.949
55.821
54.624
54.946
56.086
53.840
52.628
54.653
53.959
53.938
55.090
55.833
52.636
51.477
50.179
49.095
50.288
55.305
56.288
55.720
56.435
57.659
58.204
58.516
58.100
59.180
54.393
53.553
52.137
51.836
53.542
53.062
51.317
49.986
49.060

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.92
0.92
0.92

C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1206
1207
1208
1209
1210
1211
1212
1213
1214
1215
1216
1217
1218
1219
1220
1221
1222
1223
1224
1225
1226
1227
1228
1229
1230
1231
1232
1233
1234
1235
1236
1237
1238
1239
1240
1241
1242
1243
1244
1245
1246
1247
1248
1249
1250
1251
1252
1253
1254
1255
1256
1257
1258
1259
1260
1261
1262
1263
1264
1265

O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2

ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

152
152
153
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
156
156
156
156
156
156
156
156
157
157
157
157
158
158
158
158
159
159
159
159
159
159
159
159
160
160
160
160
160
160
161
161
161
161
161
161
161
161

37.890
41.066
38.461
37.521
38.184
39.391
37.018
38.268
37.376
37.918
37.684
36.553
37.263
37.496
36.700
38.591
38.775
38.750
39.055
39.979
39.820
39.768
38.276
38.390
38.285
37.304
37.330
37.553
35.894
36.621
39.399
39.452
39.136
38.596
39.389
39.216
37.947
37.783
37.158
35.926
36.089
36.378
34.728
34.410
34.229
34.390
35.986
36.085
34.675
33.855
36.922
38.586
34.436
33.155
33.388
34.471
32.578
32.215
33.197
30.901

-12.097
-11.728
-10.038
-9.986
-10.597
-10.821
-8.551
-7.213
-11.017
-11.703
-10.873
-10.486
-13.080
-13.950
-13.969
-14.681
-10.617
-9.823
-10.726
-11.541
-8.732
-7.667
-10.536
-11.284
-10.333
-9.597
-12.399
-13.232
-11.856
-14.436
-10.222
-9.385
-7.899
-7.223
-7.466
-6.056
-5.762
-4.653
-6.804
-6.687
-7.473
-8.671
-7.253
-6.460
-5.229
-7.104
-6.756
-7.364
-7.512
-6.599
-6.464
-6.072
-8.653
-8.941
-8.973
-9.336
-10.271
-10.213
-10.415
-9.978

49.065
49.314
48.329
47.195
45.947
45.909
46.988
47.065
44.985
43.798
42.536
42.242
43.671
44.906
45.829
44.922
41.824
40.582
39.381
39.429
40.644
42.129
38.329
37.060
35.861
35.729
36.977
35.703
37.127
35.548
35.135
33.918
34.159
33.290
35.405
35.801
36.610
37.111
36.870
37.667
38.963
38.938
36.900
35.634
35.759
34.563
40.066
41.403
41.978
41.891
42.314
41.657
42.595
43.261
44.768
45.237
42.770
41.284
40.320
40.897

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.92
0.92
0.98
0.98
0.98
0.98
0.98
0.98
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94
0.94
0.94
0.94
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.96
0.96
0.96
0.96
0.96
0.96
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98

O
C
N
C
C
O
C
S
N
C
C
O
C
C
O
N
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1266
1267
1268
1269
1270
1271
1272
1273
1274
1275
1276
1277
1278
1279
1280
1281
1282
1283
1284
1285
1286
1287
1288
1289
1290
1291
1292
1293
1294
1295
1296
1297
1298
1299
1300
1301
1302
1303
1304
1305
1306
1307
1308
1309
1310
1311
1312
1313
1314
1315
1316
1317
1318
1319
1320
1321
1322
1323
1324
1325

CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA

TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

161
161
161
161
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
168
168
168
168
168
168
169
169
169
169
169
170
170

32.865
30.566
31.551
31.257
32.376
32.444
31.070
30.115
32.949
32.805
33.687
33.097
31.028
29.820
29.789
30.774
29.818
28.498
28.690
29.138
28.624
28.273
26.971
26.171
28.096
26.968
29.441
26.575
26.800
25.560
25.144
25.984
25.720
24.435
26.521
23.845
23.263
22.089
21.243
22.801
22.618
22.360
22.541
22.063
20.976
21.449
22.617
20.470
20.691
21.586
21.336
19.342
19.522
22.492
23.364
22.537
22.818
24.408
21.420
20.494

-10.373
-9.947
-10.137
-10.022
-8.513
-8.322
-8.537
-7.846
-6.897
-6.466
-7.307
-4.974
-9.449
-9.647
-8.591
-8.373
-11.050
-11.345
-11.814
-10.304
-7.992
-7.065
-7.583
-8.222
-5.631
-5.558
-5.103
-4.145
-7.374
-7.794
-6.765
-6.137
-9.212
-9.805
-9.272
-6.561
-5.655
-6.368
-6.949
-4.418
-3.209
-3.355
-2.123
-6.266
-6.860
-7.301
-7.167
-7.729
-8.199
-9.445
-10.393
-8.530
-9.003
-9.482
-10.656
-11.880
-13.015
-10.326
-11.590
-12.604

38.975
39.550
38.590
37.272
45.484
46.938
47.571
47.224
47.218
48.682
49.605
48.816
48.529
49.344
50.455
51.167
49.954
50.675
52.436
53.257
50.591
51.684
52.305
51.614
51.153
50.106
50.624
49.679
53.597
54.269
55.315
55.970
54.846
55.026
56.150
55.388
56.374
57.040
56.353
55.618
56.519
57.730
55.914
58.364
59.156
60.537
60.899
61.320
62.701
62.706
61.964
63.348
64.687
63.681
63.905
64.340
63.967
64.975
65.002
65.538

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.98
0.98
0.98
0.98
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.84
0.84
0.84
0.84
0.84
0.84
0.84

C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1326
1327
1328
1329
1330
1331
1332
1333
1334
1335
1336
1337
1338
1339
1340
1341
1342
1343
1344
1345
1346
1347
1348
1349
1350
1351
1352
1353
1354
1355
1356
1357
1358
1359
1360
1361
1362
1363
1364
1365
1366
1367
1368
1369
1370
1371
1372
1373
1374
1375
1376
1377
1378
1379
1380
1381
1382
1383
1384
1385

C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N

SER
SER
SER
SER
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

170
170
170
170
171
171
171
171
172
172
172
172
172
172
172
172
173
173
173
173
173
173
174
174
174
174
174
174
174
174
174
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178

19.117
18.081
20.364
21.650
19.151
17.921
18.214
19.051
17.485
17.631
18.824
18.940
16.307
15.163
16.453
15.377
19.626
20.778
20.966
21.679
22.071
21.937
20.194
20.303
21.546
21.698
19.080
17.787
16.584
15.284
15.309
22.464
23.697
23.429
22.506
24.795
24.537
24.271
24.354
25.814
26.735
23.896
22.444
22.169
20.845
20.497
21.358
19.273
25.998
27.335
27.472
26.500
27.580
27.989
27.034
29.331
27.428
29.723
28.770
28.668

-12.493
-12.357
-12.413
-12.436
-12.435
-12.295
-12.353
-13.124
-11.528
-11.443
-10.557
-9.411
-10.963
-11.967
-10.624
-13.366
-11.110
-10.410
-10.866
-11.837
-10.696
-10.318
-10.257
-10.556
-9.868
-8.646
-10.081
-10.675
-10.196
-10.440
-9.685
-10.695
-10.202
-9.807
-10.314
-11.269
-12.662
-8.916
-8.546
-8.649
-8.600
-7.106
-6.853
-5.388
-4.957
-3.682
-2.706
-3.351
-8.779
-8.715
-7.439
-6.930
-9.949
-11.150
-11.903
-11.501
-13.004
-12.609
-13.358
-6.889

64.860
65.512
67.054
67.676
63.524
62.723
61.226
60.761
60.491
59.027
58.639
59.079
58.404
58.633
56.918
58.035
57.739
57.132
55.682
55.404
57.904
59.271
54.788
53.346
52.780
52.890
52.558
53.107
52.295
53.061
54.321
52.303
51.669
50.214
49.571
51.714
50.555
49.733
48.312
47.871
48.689
48.089
48.487
48.182
48.663
48.829
48.598
49.220
46.570
45.964
45.140
44.577
45.097
45.951
46.626
46.018
47.376
46.759
47.440
45.172

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.83
0.83
0.83
0.83
0.83
0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.90

C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1386
1387
1388
1389
1390
1391
1392
1393
1394
1395
1396
1397
1398
1399
1400
1401
1402
1403
1404
1405
1406
1407
1408
1409
1410
1411
1412
1413
1414
1415
1416
1417
1418
1419
1420
1421
1422
1423
1424
1425
1426
1427
1428
1429
1430
1431
1432
1433
1434
1435
1436
1437
1438
1439
1440
1441
1442
1443
1444
1445

CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N

LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ILE

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

178
178
178
178
178
178
178
179
179
179
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
181
181
181
181
182
182
182
182
182
182
182
182
182
183
183
183
183
184
184
184
184
184
184
184
184
184
184
184
185

29.009
30.027
30.982
29.599
28.634
29.354
27.385
29.783
30.747
31.457
30.901
30.085
31.185
31.059
29.784
29.878
32.546
33.428
34.292
34.618
34.357
33.772
34.810
32.488
34.731
35.673
36.456
35.904
34.971
36.027
35.428
36.549
36.929
36.306
37.961
37.738
38.727
38.377
38.489
38.774
40.080
40.351
39.751
41.111
37.842
37.465
35.965
35.407
35.287
33.872
32.942
33.238
33.673
34.570
34.801
36.106
36.360
35.403
37.599
31.902

-5.692
-6.057
-6.789
-4.623
-4.036
-2.954
-3.453
-5.540
-5.686
-4.342
-3.371
-6.099
-6.643
-6.228
-6.727
-6.495
-4.245
-3.064
-3.155
-4.248
-3.026
-3.668
-1.581
-3.015
-1.999
-1.923
-0.620
0.475
-2.043
-2.113
-2.344
-2.564
-3.740
-4.859
-3.823
-0.796
0.301
1.359
2.565
0.862
1.548
1.267
1.964
0.312
0.844
1.668
2.000
2.153
2.010
2.424
1.234
0.316
3.472
4.671
5.532
6.176
7.280
7.993
7.600
1.216

44.398
43.327
43.598
45.320
46.353
47.162
45.687
42.134
41.037
40.868
40.342
39.725
38.808
37.343
36.667
35.222
41.602
41.596
40.332
39.856
42.828
44.103
43.096
44.626
39.866
38.741
38.816
38.715
37.384
36.280
34.900
33.968
33.467
33.791
32.640
39.135
39.158
40.228
40.020
37.728
37.361
35.885
35.039
35.632
41.347
42.509
42.596
43.680
41.457
41.426
41.210
40.441
40.332
40.630
39.393
39.579
40.285
40.864
40.552
42.030

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.91
0.91
0.91
0.91
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80

C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1446
1447
1448
1449
1450
1451
1452
1453
1454
1455
1456
1457
1458
1459
1460
1461
1462
1463
1464
1465
1466
1467
1468
1469
1470
1471
1472
1473
1474
1475
1476
1477
1478
1479
1480
1481
1482
1483
1484
1485
1486
1487
1488
1489
1490
1491
1492
1493
1494
1495
1496
1497
1498
1499
1500
1501
1502
1503
1504
1505

CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
N
CA
C
O

ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

185
185
185
185
185
185
185
186
186
186
186
186
186
186
186
187
187
187
187
187
187
187
187
187
188
188
188
188
188
188
188
188
188
189
189
189
189
189
189
189
189
190
190
190
190
190
190
190
190
191
191
191
191
191
191
191
192
192
192
192

30.822
30.083
29.736
29.829
30.577
28.798
29.734
29.811
29.120
27.863
27.223
30.088
30.618
31.211
31.416
27.563
26.418
26.290
27.271
26.612
25.374
25.576
25.540
26.691
25.035
24.604
24.016
23.391
23.496
23.946
22.723
22.219
22.314
24.204
23.745
22.939
23.525
24.932
25.636
24.480
26.976
21.631
20.643
20.492
19.971
19.300
19.271
20.273
17.868
21.130
21.095
19.659
18.827
21.922
22.920
22.045
19.442
18.219
18.475
19.613

0.210
0.441
1.576
0.386
0.440
-0.756
0.884
-0.648
-0.551
-1.427
-1.479
-0.810
-2.254
0.244
-2.645
-2.153
-3.077
-3.711
-4.153
-4.206
-5.090
-6.157
-5.603
-4.740
-3.779
-4.522
-5.861
-5.949
-3.750
-2.384
-1.608
-1.984
-0.673
-6.879
-8.247
-8.766
-9.071
-9.170
-8.663
-10.635
-9.344
-8.759
-9.263
-10.783
-11.239
-8.544
-7.099
-6.153
-6.534
-11.544
-13.014
-13.537
-13.000
-13.438
-12.296
-11.081
-14.626
-15.453
-16.654
-17.022

41.960
40.635
40.307
43.122
44.460
43.120
45.656
39.935
38.631
38.536
37.487
37.458
37.465
37.452
36.217
39.619
39.689
41.077
41.681
38.674
38.500
37.421
35.990
35.680
41.496
42.693
42.236
41.178
43.404
43.917
44.402
45.477
43.687
43.060
42.758
43.948
44.991
42.413
41.143
42.252
40.843
43.758
44.731
44.571
43.548
44.557
45.087
44.413
44.880
45.469
45.448
45.561
46.293
46.663
46.823
46.531
44.844
44.849
45.777
46.035

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84

C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1506
1507
1508
1509
1510
1511
1512
1513
1514
1515
1516
1517
1518
1519
1520
1521
1522
1523
1524
1525
1526
1527
1528
1529
1530
1531
1532
1533
1534
1535
1536
1537
1538
1539
1540
1541
1542
1543
1544
1545
1546
1547
1548
1549
1550
1551
1552
1553
1554
1555
1556
1557
1558
1559
1560
1561
1562
1563
1564
1565

CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2

THR
THR
THR
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

192
192
192
193
193
193
193
194
194
194
194
194
194
194
194
194
194
194
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
199

17.899
16.848
17.538
17.379
17.471
17.171
16.309
17.933
17.772
18.609
19.740
18.200
17.626
18.691
19.491
19.769
19.338
20.427
17.981
18.696
18.384
18.646
18.427
18.886
16.955
17.885
17.492
18.651
18.450
16.574
17.085
16.023
15.778
15.427
19.851
21.054
22.327
22.568
20.965
21.924
21.579
23.242
22.674
23.709
23.159
24.414
25.428
25.221
24.161
22.932
25.296
26.411
27.486
28.880
29.010
27.286
27.338
27.387
26.962
27.973

-15.857
-15.020
-17.320
-17.286
-18.557
-18.349
-17.547
-19.052
-19.009
-17.857
-18.034
-20.353
-20.516
-21.006
-19.880
-19.664
-20.486
-18.577
-16.693
-15.440
-14.874
-13.703
-14.377
-14.845
-13.937
-15.714
-15.249
-14.777
-13.938
-16.242
-17.682
-18.597
-18.437
-19.367
-15.303
-14.890
-15.436
-16.642
-15.378
-14.617
-13.927
-14.505
-13.380
-13.762
-14.500
-14.827
-13.710
-12.566
-14.929
-15.610
-15.682
-14.007
-13.049
-13.664
-14.874
-12.443
-13.448
-12.745
-11.574
-13.330

43.389
42.910
43.086
46.213
46.957
48.440
48.806
49.266
50.730
51.311
51.773
51.319
52.725
53.698
54.209
55.495
56.445
55.844
51.375
51.709
53.107
53.378
50.623
49.237
50.579
54.007
55.356
56.247
57.127
56.078
56.067
55.461
54.242
56.240
56.002
56.745
56.084
56.081
58.198
59.110
60.190
58.961
60.701
59.950
55.648
54.939
55.200
54.779
53.426
53.152
52.733
56.031
56.351
56.240
56.098
57.741
58.898
60.258
60.336
61.180

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83

C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
O
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1566
1567
1568
1569
1570
1571
1572
1573
1574
1575
1576
1577
1578
1579
1580
1581
1582
1583
1584
1585
1586
1587
1588
1589
1590
1591
1592
1593
1594
1595
1596
1597
1598
1599
1600
1601
1602
1603
1604
1605
1606
1607
1608
1609
1610
1611
1612
1613
1614
1615
1616
1617
1618
1619
1620
1621
1622
1623
1624
1625

N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG

GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
202
202
202
202
202
202
202
203
203
203
203
203
203
204
204
204
204
205
205
205
205
205
205
205
205
205
205
205
206
206
206
206
206
207
207
207
207
207
207
208
208
208
208
208
208

29.890
31.318
31.672
32.208
31.723
31.517
32.019
32.089
32.413
31.212
31.485
32.985
33.690
30.720
28.909
33.404
34.779
34.658
34.194
35.383
35.389
36.821
34.953
34.702
35.991
37.083
33.967
32.411
35.801
36.878
36.296
35.088
37.166
36.799
36.892
37.967
37.695
37.378
36.338
38.175
36.083
37.925
36.875
35.734
35.669
36.143
36.593
34.237
35.994
36.352
36.260
35.852
35.368
34.046
36.471
36.263
34.791
34.470
36.833
38.349

-12.796
-13.186
-14.287
-15.344
-13.627
-12.550
-13.012
-14.242
-12.113
-14.079
-15.031
-15.118
-14.107
-14.646
-14.884
-16.350
-16.683
-17.187
-18.303
-17.773
-17.324
-18.127
-16.289
-16.520
-16.766
-16.336
-15.304
-14.874
-17.471
-17.822
-18.266
-18.494
-18.289
-18.713
-20.232
-20.811
-18.045
-16.561
-16.183
-15.596
-14.838
-14.252
-13.871
-20.857
-22.278
-22.447
-23.514
-22.795
-21.361
-21.248
-19.768
-18.924
-22.085
-21.533
-19.511
-18.171
-17.736
-16.557
-18.100
-17.894

56.242
56.268
55.250
55.583
57.678
58.745
60.115
60.335
60.892
54.019
52.931
52.626
52.566
51.666
51.775
52.385
51.963
50.523
50.289
52.865
54.219
52.468
49.594
48.161
47.364
47.744
47.594
48.459
46.249
45.306
43.961
43.830
42.962
41.601
41.446
41.557
40.555
40.381
39.542
40.984
39.315
40.746
39.924
41.264
40.857
39.401
38.988
41.009
38.644
37.219
36.813
37.612
36.384
36.444
35.524
34.936
34.907
34.808
33.518
33.524

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85

N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
S
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1626
1627
1628
1629
1630
1631
1632
1633
1634
1635
1636
1637
1638
1639
1640
1641
1642
1643
1644
1645
1646
1647
1648
1649
1650
1651
1652
1653
1654
1655
1656
1657
1658
1659
1660
1661
1662
1663
1664
1665
1666
1667
1668
1669
1670
1671
1672
1673
1674
1675
1676
1677
1678
1679
1680
1681
1682
1683
1684
1685

OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE

ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

208
208
209
209
209
209
209
209
209
209
209
210
210
210
210
210
210
210
211
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
212
213
213
213
213
213
213
214
214
214
214
214
215
215
215
215
215
215
216
216
216
216
216
216
216
216

38.933
39.008
33.906
32.464
31.741
30.723
31.931
30.701
29.423
28.963
27.855
32.311
31.632
32.582
33.623
30.936
30.073
30.082
32.056
32.582
31.686
30.475
32.567
33.522
32.900
33.573
32.302
31.569
32.036
33.195
31.773
31.330
31.364
32.107
30.684
31.112
31.382
30.824
29.792
30.717
30.998
31.526
31.044
30.958
31.942
32.023
29.732
29.472
29.055
28.982
28.374
28.626
28.698
28.193
26.698
26.231
28.938
28.619
28.662
30.020

-17.270
-18.360
-18.722
-18.499
-18.310
-17.619
-19.695
-19.322
-20.077
-19.742
-20.584
-18.848
-18.850
-18.536
-19.181
-20.208
-20.485
-20.258
-17.705
-17.504
-18.324
-18.424
-16.017
-15.207
-15.825
-13.700
-18.878
-19.604
-19.154
-18.768
-21.109
-21.630
-23.155
-23.782
-23.669
-19.202
-18.771
-19.786
-20.416
-17.416
-16.144
-19.886
-20.567
-19.484
-18.780
-21.665
-19.186
-18.014
-18.451
-19.644
-17.177
-16.892
-17.473
-17.698
-17.360
-16.418
-16.802
-17.261
-16.141
-15.659

34.384
32.489
35.009
34.856
36.205
36.262
34.064
33.237
33.608
35.022
35.475
37.284
38.597
39.760
39.927
38.831
37.731
40.103
40.652
42.018
42.960
42.768
42.439
41.549
43.934
41.838
43.991
45.041
46.422
46.590
44.903
43.533
43.440
44.233
42.530
47.367
48.748
49.749
49.505
49.004
47.717
50.867
52.082
53.161
53.410
52.501
53.563
54.417
55.826
56.133
53.752
51.962
56.640
57.997
58.024
57.378
58.993
60.418
61.451
61.758

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.90
0.90
0.90
0.90
0.90
0.88
0.88
0.88
0.88
0.88
0.88
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80

O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1686
1687
1688
1689
1690
1691
1692
1693
1694
1695
1696
1697
1698
1699
1700
1701
1702
1703
1704
1705
1706
1707
1708
1709
1710
1711
1712
1713
1714
1715
1716
1717
1718
1719
1720
1721
1722
1723
1724
1725
1726
1727
1728
1729
1730
1731
1732
1733
1734
1735
1736
1737
1738
1739
1740
1741
1742
1743
1744
1745

CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA

ARG
ARG
ARG
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

216
216
216
217
217
217
217
217
217
217
217
218
218
218
218
218
218
218
218
219
219
219
219
219
219
220
220
220
220
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
223
223
223
223
223
223
223
223
223
224
224

30.389
29.548
31.618
25.974
24.589
24.623
24.671
23.644
22.195
21.958
21.293
24.452
24.672
23.506
23.680
25.097
25.813
26.879
25.173
22.299
21.099
20.343
20.082
20.140
19.894
20.134
19.218
19.809
19.083
18.423
17.656
16.675
17.991
16.033
17.350
16.369
15.722
21.061
21.618
23.120
23.889
21.277
21.704
21.886
23.484
24.880
25.488
26.697
24.923
24.627
25.050
25.570
25.272
23.887
23.333
22.311
21.711
20.808
26.309
26.796

-15.126
-14.993
-14.699
-18.194
-17.911
-17.841
-18.866
-19.020
-18.775
-18.177
-19.139
-16.626
-16.373
-16.755
-16.894
-14.915
-14.728
-15.256
-14.071
-16.842
-17.087
-18.404
-19.106
-15.896
-15.577
-18.813
-19.937
-21.355
-22.302
-19.663
-18.339
-18.126
-17.323
-16.897
-16.094
-15.885
-14.693
-21.507
-22.859
-22.997
-22.067
-23.347
-24.703
-22.486
-24.244
-24.715
-25.002
-25.154
-25.980
-25.282
-25.417
-24.067
-23.007
-25.869
-27.241
-27.686
-29.042
-29.489
-24.126
-22.905

62.926
63.933
63.123
58.752
59.143
60.670
61.336
58.672
59.111
60.189
58.346
61.171
62.603
63.531
64.737
62.771
64.104
64.338
65.039
62.979
63.802
63.584
64.548
63.718
62.346
62.336
62.055
62.018
62.313
60.775
60.852
61.816
59.967
61.893
60.040
61.003
61.059
61.588
61.357
61.637
61.400
59.932
59.771
58.819
61.927
62.017
60.629
60.473
62.875
59.650
58.243
57.723
58.275
57.353
57.737
56.695
57.062
55.995
56.622
55.960

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80

C
N
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1746
1747
1748
1749
1750
1751
1752
1753
1754
1755
1756
1757
1758
1759
1760
1761
1762
1763
1764
1765
1766
1767
1768
1769
1770
1771
1772
1773
1774
1775
1776
1777
1778
1779
1780
1781
1782
1783
1784
1785
1786
1787
1788
1789
1790
1791
1792
1793
1794
1795
1796
1797
1798
1799
1800
1801
1802
1803
1804
1805

C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

224
224
224
224
224
224
224
224
224
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
229
230
230
230
230
230
230
230
230
231

26.003
25.808
28.271
29.210
30.636
31.624
31.735
30.913
32.718
25.544
24.999
26.117
27.247
24.637
24.310
25.330
25.793
26.760
26.321
25.347
26.904
27.992
27.681
29.296
28.666
30.285
29.964
26.982
26.715
27.406
28.547
27.176
26.864
26.538
26.690
27.208
26.896
25.721
26.542
26.869
26.281
26.568
26.039
27.935
27.785
28.309
29.499
28.458
28.303
28.129
29.539
27.372
27.661
28.165
27.394
26.389
26.670
27.326
26.182
29.458

-22.615
-23.517
-22.985
-22.979
-22.809
-22.807
-21.910
-20.875
-22.018
-21.366
-20.851
-20.911
-20.483
-19.397
-19.414
-20.397
-21.498
-21.676
-20.889
-21.240
-23.167
-23.412
-23.380
-23.658
-23.608
-23.880
-23.857
-19.763
-18.885
-19.442
-19.902
-17.441
-16.480
-16.883
-19.306
-19.543
-18.308
-17.985
-20.751
-22.092
-23.211
-24.598
-25.630
-17.584
-16.366
-16.583
-16.816
-15.176
-13.870
-12.698
-13.605
-16.491
-16.562
-15.195
-14.247
-17.002
-17.236
-16.463
-18.329
-15.139

54.683
53.858
55.573
56.773
56.245
57.338
58.320
58.426
59.199
54.541
53.273
52.227
52.485
53.576
55.065
55.635
51.084
49.988
48.749
48.080
49.668
48.621
47.266
49.029
46.322
48.082
46.733
48.542
47.382
46.122
46.169
47.672
46.518
48.948
45.011
43.650
42.799
42.581
42.984
43.634
42.776
43.346
42.446
42.419
41.609
40.187
39.962
42.307
41.517
42.478
40.653
39.258
37.820
37.331
37.202
37.090
35.607
34.944
35.074
37.041

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95

C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1806
1807
1808
1809
1810
1811
1812
1813
1814
1815
1816
1817
1818
1819
1820
1821
1822
1823
1824
1825
1826
1827
1828
1829
1830
1831
1832
1833
1834
1835
1836
1837
1838
1839
1840
1841
1842
1843
1844
1845
1846
1847
1848
1849
1850
1851
1852
1853
1854
1855
1856
1857
1858
1859
1860
1861
1862
1863
1864
1865

CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N

VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

231
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233
233
233
233
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
236
236
236
236
236
237
237
237
237
237
237
237
237
237
238
238
238
238
238
238
238
238
239

30.150
29.671
29.699
31.677
32.463
32.156
29.196
28.659
27.429
27.299
28.190
29.321
30.039
29.354
31.267
26.560
25.241
25.058
23.956
24.134
24.267
24.180
26.131
26.134
24.928
24.219
26.184
27.416
28.514
27.225
24.632
23.487
24.023
25.001
22.510
23.174
21.844
23.397
23.818
22.623
21.562
24.584
22.811
21.827
22.503
23.698
21.209
20.149
19.620
19.270
19.544
21.710
22.171
21.276
20.053
22.147
22.915
22.736
22.809
21.938

-13.923
-13.515
-12.339
-14.136
-12.918
-14.456
-14.489
-14.253
-13.343
-12.426
-15.547
-16.549
-16.428
-16.669
-16.208
-13.620
-12.965
-12.160
-11.697
-14.022
-14.931
-14.800
-12.024
-11.286
-11.651
-10.792
-9.787
-9.418
-9.908
-8.684
-12.946
-13.485
-14.432
-15.155
-14.255
-15.378
-13.365
-14.383
-15.222
-15.894
-15.289
-14.372
-17.159
-17.946
-18.576
-18.881
-19.021
-19.856
-20.995
-20.715
-22.119
-18.762
-19.345
-20.529
-20.471
-18.295
-17.031
-18.883
-15.860
-21.542

36.542
35.132
34.772
36.582
36.084
38.001
34.363
33.003
33.045
32.241
32.342
32.204
30.867
29.849
30.901
34.009
34.085
35.373
35.657
33.986
35.079
32.667
36.157
37.436
38.330
38.852
37.115
36.285
36.645
35.293
38.365
39.123
40.197
39.981
38.220
37.632
37.164
41.362
42.498
43.171
43.315
43.516
43.514
44.277
45.502
45.469
43.378
44.108
43.242
42.076
43.775
46.550
47.822
48.197
48.068
48.950
48.528
50.245
49.512
48.738

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.95
0.95
0.95
0.95
0.95
0.95
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.94
0.94
0.94
0.94
0.94
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80

C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1866
1867
1868
1869
1870
1871
1872
1873
1874
1875
1876
1877
1878
1879
1880
1881
1882
1883
1884
1885
1886
1887
1888
1889
1890
1891
1892
1893
1894
1895
1896
1897
1898
1899
1900
1901
1902
1903
1904
1905
1906
1907
1908
1909
1910
1911
1912
1913
1914
1915
1916
1917
1918
1919
1920
1921
1922
1923
1924
1925

CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

239
239
239
239
239
239
239
239
239
239
240
240
240
240
240
240
240
240
241
241
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
243
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
246
246
246
246
246

21.308
22.284
23.481
21.100
20.639
19.330
18.203
17.292
17.336
16.310
21.751
22.596
23.403
22.959
21.745
20.939
20.201
21.812
24.613
25.436
24.692
24.094
26.813
27.591
29.325
29.992
24.723
23.958
24.747
24.156
23.492
22.175
26.073
26.994
26.619
26.257
28.458
29.304
28.721
26.776
26.596
27.695
27.486
26.495
27.600
27.659
26.342
26.395
28.890
30.040
29.794
30.195
31.346
31.383
32.584
29.043
28.665
29.931
30.745
27.714

-22.750
-23.294
-22.983
-23.838
-23.325
-23.936
-23.413
-22.534
-22.017
-22.151
-23.973
-24.567
-25.747
-26.449
-25.016
-23.867
-24.399
-22.664
-25.893
-27.076
-28.303
-28.241
-26.983
-25.749
-25.718
-26.990
-29.382
-30.590
-31.549
-32.361
-31.334
-32.533
-31.460
-32.364
-32.481
-31.509
-31.907
-32.876
-30.517
-33.692
-33.982
-33.373
-33.155
-35.483
-36.311
-37.718
-38.476
-39.701
-33.245
-32.607
-31.092
-30.339
-32.860
-34.201
-32.622
-30.693
-29.286
-28.461
-28.793
-29.221

49.303
50.354
50.314
48.237
46.865
46.379
47.173
46.754
45.536
47.560
51.359
52.411
51.876
50.964
53.600
54.217
55.439
54.598
52.401
52.093
52.634
53.710
52.753
52.289
52.866
51.814
51.869
52.232
53.126
53.837
50.986
51.398
53.033
53.742
55.221
55.888
53.617
54.245
54.220
55.705
57.134
58.016
59.208
57.346
56.693
57.282
57.122
57.919
57.440
58.117
58.170
57.280
57.358
56.894
58.219
59.184
59.410
59.666
60.513
60.610

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.88
0.88
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80

C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1926
1927
1928
1929
1930
1931
1932
1933
1934
1935
1936
1937
1938
1939
1940
1941
1942
1943
1944
1945
1946
1947
1948
1949
1950
1951
1952
1953
1954
1955
1956
1957
1958
1959
1960
1961
1962
1963
1964
1965
1966
1967
1968
1969
1970
1971
1972
1973
1974
1975
1976
1977
1978
1979
1980
1981
1982
1983
1984
1985

CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB

TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

246
246
246
246
246
246
246
247
247
247
247
247
247
247
247
248
248
248
248
248
248
248
248
249
249
249
249
249
249
249
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
253
253
253
253
253

26.539
25.882
26.220
24.909
25.234
24.576
23.540
30.055
31.318
31.325
32.356
31.709
32.022
32.230
33.261
30.234
30.109
30.289
30.589
28.746
28.695
29.747
27.621
30.395
30.566
29.692
29.760
32.033
32.880
32.313
28.930
28.766
27.961
27.371
28.044
27.183
28.087
27.978
27.316
27.080
27.782
28.169
29.274
30.059
31.322
32.440
32.504
33.502
26.142
25.920
26.764
27.546
24.418
24.175
25.069
26.458
27.113
26.812
25.707
26.589

-30.198
-30.368
-31.019
-31.340
-31.983
-32.137
-33.003
-27.339
-26.578
-25.348
-24.694
-26.160
-27.335
-26.785
-28.114
-25.130
-23.935
-24.273
-25.408
-23.297
-21.802
-21.142
-21.347
-23.227
-23.354
-22.283
-21.140
-23.114
-23.904
-23.453
-22.644
-24.015
-24.870
-24.364
-23.839
-22.600
-21.702
-26.168
-27.161
-28.450
-28.687
-27.435
-28.466
-28.776
-28.036
-28.479
-29.687
-27.701
-29.283
-30.611
-31.670
-31.383
-30.815
-30.195
-28.957
-32.919
-34.098
-34.136
-33.824
-35.369

60.479
59.260
61.552
59.111
61.406
60.193
60.085
58.977
59.014
59.924
60.040
57.596
56.670
55.262
57.130
60.655
61.505
62.992
63.344
61.241
61.547
61.387
61.978
63.800
65.263
65.937
65.493
65.651
64.816
67.120
66.977
67.494
66.510
65.554
68.829
68.587
67.739
66.762
65.907
66.717
67.711
64.652
64.893
63.630
63.726
64.293
64.838
64.332
66.268
66.860
66.130
65.224
66.651
65.275
65.302
66.448
65.847
64.346
63.929
66.526

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82

C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

1986
1987
1988
1989
1990
1991
1992
1993
1994
1995
1996
1997
1998
1999
2000
2001
2002
2003
2004
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
2016
2017
2018
2019
2020
2021
2022
2023
2024
2025
2026
2027
2028
2029
2030
2031
2032
2033
2034
2035
2036
2037
2038
2039
2040
2041
2042
2043
2044
2045

CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
OE2

ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

253
253
253
254
254
254
254
254
254
254
254
255
255
255
255
256
256
256
256
256
256
257
257
257
257
257
257
257
257
258
258
258
258
258
259
259
259
259
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
262
262
262

26.822
27.339
26.360
27.796
27.636
26.481
26.237
28.923
30.014
29.628
31.189
25.774
24.626
23.477
22.728
23.322
22.211
21.114
20.139
22.731
23.179
21.242
20.167
19.324
19.670
20.718
21.629
19.554
22.354
18.271
17.354
16.536
16.060
16.421
16.362
15.550
16.351
17.480
15.737
16.403
17.590
17.703
15.301
14.369
14.362
18.394
19.564
19.191
19.957
20.131
20.629
17.971
17.447
17.043
16.616
16.293
15.088
14.931
15.971
13.764

-35.408
-34.416
-36.395
-34.545
-34.616
-35.521
-36.554
-35.111
-34.053
-32.866
-34.463
-35.058
-35.804
-36.032
-36.992
-35.144
-35.256
-34.195
-34.158
-35.248
-33.941
-33.384
-32.481
-33.277
-33.381
-31.187
-30.424
-30.304
-29.217
-33.897
-34.708
-33.843
-32.757
-35.519
-34.409
-33.798
-33.554
-34.037
-32.872
-32.516
-31.580
-30.980
-31.856
-31.248
-32.322
-31.369
-30.462
-29.052
-28.356
-30.296
-31.840
-28.637
-27.308
-27.141
-26.056
-26.908
-27.854
-28.716
-29.143
-29.021

68.046
68.607
68.650
63.558
62.092
61.670
62.291
61.434
61.544
61.539
61.653
60.640
60.086
61.073
60.905
62.053
63.020
62.831
63.586
64.460
64.820
61.781
61.325
60.315
59.137
60.688
61.667
60.200
61.054
60.831
60.009
59.043
59.379
60.909
57.846
56.787
55.496
55.374
54.520
53.253
53.511
54.578
52.421
53.467
54.550
52.474
52.525
53.024
53.672
51.116
50.269
52.687
53.053
54.531
54.932
52.124
52.189
50.932
50.377
50.616

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.79
0.79
0.79
0.79
0.79
0.79
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.84
0.84
0.84
0.84
0.84
0.86
0.86
0.86
0.86
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.91
0.91
0.91
0.91
0.91
0.91
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76

C
O
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
O
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2046
2047
2048
2049
2050
2051
2052
2053
2054
2055
2056
2057
2058
2059
2060
2061
2062
2063
2064
2065
2066
2067
2068
2069
2070
2071
2072
2073
2074
2075
2076
2077
2078
2079
2080
2081
2082
2083
2084
2085
2086
2087
2088
2089
2090
2091
2092
2093
2094
2095
2096
2097
2098
2099
2100
2101
2102
2103
2104
2105

N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C

SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

263
263
263
263
263
263
264
264
264
264
264
264
264
264
265
265
265
265
266
266
266
266
266
266
266
266
267
267
267
267
267
267
267
267
267
268
268
268
268
268
268
268
268
268
268
268
268
268
268
269
269
269
269
269
269
269
269
270
270
270

17.099
16.692
17.736
18.883
16.533
15.521
17.325
18.229
18.680
19.865
17.578
17.353
16.508
18.137
17.661
17.831
17.700
17.095
18.237
18.277
19.128
20.065
18.809
17.926
16.750
18.457
18.795
19.470
20.985
21.738
18.937
17.472
16.914
17.135
18.498
21.382
22.797
23.373
24.317
23.607
23.196
22.456
23.548
22.316
22.966
24.296
23.131
24.469
23.887
22.631
22.868
24.364
25.029
22.092
22.120
21.374
21.520
24.829
26.253
26.760

-28.223
-28.222
-27.511
-27.931
-29.649
-30.291
-26.425
-25.678
-26.519
-26.757
-24.387
-23.320
-22.447
-23.366
-27.051
-27.742
-26.697
-25.641
-27.028
-26.064
-24.854
-24.998
-26.721
-27.882
-27.952
-28.688
-23.701
-22.437
-22.537
-22.252
-21.269
-20.962
-19.782
-18.404
-17.878
-23.040
-23.064
-21.649
-21.378
-24.096
-25.512
-26.357
-26.141
-27.492
-27.395
-25.738
-28.264
-26.611
-27.874
-20.739
-19.290
-18.969
-19.384
-18.651
-17.119
-16.568
-16.567
-18.259
-17.934
-18.543

55.301
56.720
57.579
57.642
57.240
56.471
58.227
59.129
60.331
60.534
59.646
58.572
58.677
57.520
61.019
62.306
63.417
63.229
64.584
65.701
65.300
64.516
66.979
67.460
67.036
68.250
65.871
65.521
65.710
64.788
66.357
66.038
66.844
66.205
66.370
66.890
67.306
67.175
66.440
66.505
66.893
66.182
68.072
66.866
68.024
69.170
69.094
70.234
70.195
67.814
67.779
67.889
68.842
68.936
68.907
67.688
70.200
66.867
66.694
65.382

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.79
0.79
0.79
0.79
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86

N
C
C
O
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2106
2107
2108
2109
2110
2111
2112
2113
2114
2115
2116
2117
2118
2119
2120
2121
2122
2123
2124
2125
2126
2127
2128
2129
2130
2131
2132
2133
2134
2135
2136
2137
2138
2139
2140
2141
2142
2143
2144
2145
2146
2147
2148
2149
2150
2151
2152
2153
2154
2155
2156
2157
2158
2159
2160
2161
2162
2163
2164
2165

O
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA

GLY
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLN
GLN

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

270
271
271
271
271
272
272
272
272
272
272
272
272
273
273
273
273
273
273
273
273
273
274
274
274
274
275
275
275
275
276
276
276
276
276
276
276
276
276
276
276
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
279
279

25.999
28.059
28.742
30.221
30.742
30.843
32.263
32.538
31.939
33.162
34.606
33.039
35.601
33.458
33.960
34.771
35.529
34.839
35.163
36.155
36.465
35.315
34.564
35.240
36.052
35.620
37.259
38.180
37.574
36.967
37.791
37.289
38.121
38.477
35.813
35.223
35.379
34.573
34.875
34.061
34.207
38.458
39.299
39.154
38.960
40.758
41.430
41.603
39.352
39.237
40.610
41.563
38.449
37.035
36.647
35.986
35.349
34.942
40.645
41.789

-19.087
-18.351
-18.843
-18.467
-18.045
-18.564
-18.229
-18.205
-18.970
-19.256
-18.729
-20.678
-19.653
-17.342
-17.360
-18.654
-19.061
-16.132
-15.940
-14.794
-14.583
-14.037
-19.273
-20.535
-20.392
-19.774
-20.938
-21.040
-21.980
-22.998
-21.595
-22.303
-21.826
-20.646
-21.938
-22.455
-23.777
-21.556
-24.201
-21.976
-23.304
-22.767
-22.486
-23.599
-24.770
-22.259
-23.511
-21.604
-23.198
-24.105
-24.520
-23.738
-23.430
-23.056
-21.853
-23.873
-21.924
-23.169
-25.780
-26.432

64.581
65.173
63.969
64.031
65.067
62.869
62.676
61.169
60.410
63.402
63.462
62.814
64.169
60.768
59.386
59.191
60.076
59.174
57.697
57.534
56.057
55.323
58.028
57.686
56.404
55.423
56.474
55.336
54.300
54.640
53.057
51.872
50.684
50.606
51.672
50.359
49.965
49.528
48.747
48.311
47.929
49.816
48.640
47.595
47.935
49.098
49.679
48.003
46.348
45.197
44.669
44.632
44.072
44.513
44.927
44.536
45.192
44.952
44.268
43.613

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.85
0.85
0.85
0.85
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.92
0.92
0.92
0.92
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.84
0.84

O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2166
2167
2168
2169
2170
2171
2172
2173
2174
2175
2176
2177
2178
2179
2180
2181
2182
2183
2184
2185
2186
2187
2188
2189
2190
2191
2192
2193
2194
2195
2196
2197
2198
2199
2200
2201
2202
2203
2204
2205
2206
2207
2208
2209
2210
2211
2212
2213
2214
2215
2216
2217
2218
2219
2220
2221
2222
2223
2224
2225

C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA

GLN
GLN
GLN
GLN
GLN
GLN
GLN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ARG
ARG

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

279
279
279
279
279
279
279
280
280
280
280
280
280
280
280
280
280
280
281
281
281
281
281
281
281
281
282
282
282
282
282
283
283
283
283
283
283
284
284
284
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286
286
287
287

41.319
40.927
42.263
43.365
43.565
42.753
44.693
41.222
40.778
41.813
42.999
40.655
39.976
40.135
40.246
41.374
42.554
41.332
41.328
42.099
41.407
40.274
42.197
43.171
43.042
41.487
42.075
41.561
40.137
39.252
42.511
39.914
38.638
38.066
37.285
38.853
39.869
38.429
37.963
38.061
38.860
38.805
38.333
39.164
38.827
39.469
37.219
37.247
37.527
36.824
35.956
36.318
34.910
37.218
38.485
38.800
38.366
38.750
37.480
36.977

-26.922
-28.076
-27.587
-28.418
-29.771
-30.281
-30.373
-25.966
-26.215
-27.080
-26.736
-24.909
-23.796
-22.490
-21.407
-20.830
-21.224
-19.828
-28.193
-29.059
-29.053
-28.589
-30.467
-30.473
-31.971
-31.590
-29.624
-29.624
-30.202
-29.577
-30.413
-31.304
-32.048
-32.414
-33.357
-33.315
-34.119
-31.632
-31.850
-30.552
-29.665
-32.961
-33.287
-34.376
-35.750
-36.761
-30.485
-29.400
-29.974
-30.879
-28.557
-27.085
-28.702
-26.437
-29.362
-29.709
-28.552
-27.408
-28.857
-27.859

42.235
42.031
44.500
43.832
44.512
45.276
44.224
41.330
39.947
39.223
39.148
39.163
39.956
39.191
40.177
40.578
40.146
41.427
38.711
37.803
36.439
36.315
38.392
39.575
40.612
41.383
35.440
34.056
33.950
33.376
33.152
34.664
34.610
35.989
36.125
33.777
34.388
37.002
38.382
39.189
38.886
39.027
40.446
41.105
40.551
41.391
40.213
41.194
42.588
43.036
41.077
40.833
42.196
41.898
43.264
44.662
45.559
45.321
46.493
47.454

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.72
0.72
0.72
0.72
0.72
0.68
0.68
0.68
0.68
0.68
0.68
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.84
0.84

C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2226
2227
2228
2229
2230
2231
2232
2233
2234
2235
2236
2237
2238
2239
2240
2241
2242
2243
2244
2245
2246
2247
2248
2249
2250
2251
2252
2253
2254
2255
2256
2257
2258
2259
2260
2261
2262
2263
2264
2265
2266
2267
2268
2269
2270
2271
2272
2273
2274
2275
2276
2277
2278
2279
2280
2281
2282
2283
2284
2285

C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
MET

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

287
287
287
287
287
287
287
287
287
288
288
288
288
288
288
288
288
288
288
288
288
288
288
289
289
289
289
289
289
289
289
289
289
289
289
290
290
290
290
290
290
291
291
291
291
291
291
291
291
291
291
291
292
292
292
292
292
292
292
293

37.469
37.267
35.450
34.911
33.386
32.871
32.275
32.131
31.828
38.166
38.781
38.096
37.809
40.268
41.031
41.079
41.825
41.880
42.364
42.157
43.263
43.052
43.607
37.853
37.135
37.836
38.436
35.694
34.948
35.092
34.038
34.320
33.255
33.399
32.627
37.714
38.219
37.022
35.939
39.095
40.161
37.246
36.257
37.071
38.141
35.396
35.535
35.086
33.639
32.976
33.585
31.692
36.514
37.135
37.045
36.220
36.454
35.101
36.536
37.988

-28.217
-29.341
-27.830
-27.280
-27.267
-26.716
-27.412
-28.727
-26.794
-27.258
-27.422
-26.493
-25.336
-27.067
-27.980
-27.866
-29.059
-28.811
-29.548
-29.639
-30.608
-30.698
-31.183
-27.038
-26.325
-26.568
-27.625
-26.834
-26.816
-27.901
-25.810
-27.994
-25.904
-26.996
-27.099
-25.579
-25.657
-25.667
-25.185
-24.446
-24.338
-26.250
-26.307
-26.316
-26.942
-27.571
-28.597
-30.004
-30.078
-31.221
-32.381
-31.232
-25.736
-25.833
-27.291
-28.079
-24.911
-25.333
-23.439
-27.711

48.855
49.325
47.427
46.108
46.137
44.873
43.905
43.996
42.819
49.443
50.772
51.767
51.452
50.705
49.744
48.419
50.093
47.923
48.919
51.305
48.967
51.362
50.186
52.947
54.017
55.351
55.570
54.121
52.784
51.928
52.484
50.782
51.341
50.492
49.381
56.215
57.595
58.545
58.211
57.921
56.976
59.709
60.795
62.097
62.143
60.587
61.714
61.416
61.241
61.272
61.484
61.043
63.144
64.485
64.962
64.513
65.500
65.636
65.080
65.785

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.75

C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
O
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2286
2287
2288
2289
2290
2291
2292
2293
2294
2295
2296
2297
2298
2299
2300
2301
2302
2303
2304
2305
2306
2307
2308
2309
2310
2311
2312
2313
2314
2315
2316
2317
2318
2319
2320
2321
2322
2323
2324
2325
2326
2327
2328
2329
2330
2331
2332
2333
2334
2335
2336
2337
2338
2339
2340
2341
2342
2343
2344
2345

CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O

MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

293
293
293
293
293
293
293
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
299
299
300
300
300
300

37.959
36.845
36.220
39.329
39.415
41.134
41.656
36.651
35.553
34.228
34.146
35.824
34.758
33.185
31.821
31.292
30.556
30.807
31.116
29.888
30.232
30.620
31.682
31.101
32.002
31.536
30.667
31.779
29.538
33.301
34.264
35.222
35.449
35.020
34.094
32.895
34.665
35.842
36.755
38.193
39.163
36.686
35.244
35.209
34.971
34.316
33.798
34.194
38.279
39.547
39.831
38.920
39.436
39.104
40.473
41.367
41.113
41.570
41.023
40.206

-29.109
-29.352
-30.410
-29.499
-31.015
-31.595
-31.070
-28.365
-28.388
-28.067
-27.104
-27.357
-27.290
-28.801
-28.539
-27.180
-26.484
-29.588
-31.019
-31.895
-33.167
-32.864
-26.846
-25.712
-24.473
-23.350
-26.165
-26.713
-27.201
-24.702
-23.610
-23.480
-24.428
-23.851
-23.835
-24.044
-23.609
-22.312
-21.960
-22.457
-21.700
-20.448
-19.990
-18.860
-17.524
-16.553
-16.747
-15.354
-23.758
-24.453
-25.479
-26.187
-25.184
-24.253
-23.146
-24.249
-25.585
-26.498
-26.109
-25.197

66.254
67.286
67.311
66.779
66.981
67.167
65.557
68.157
69.141
68.438
67.685
70.239
71.199
68.819
68.302
68.786
68.097
68.767
68.329
68.588
69.368
70.754
70.014
70.758
70.856
70.700
72.163
72.881
72.089
71.029
71.247
70.060
69.309
72.561
73.788
73.749
74.946
69.979
68.872
69.123
69.213
68.627
68.399
67.384
67.945
67.304
66.095
67.851
69.382
69.676
68.574
68.126
71.021
72.193
72.691
73.765
68.215
67.150
65.772
65.645

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.80
0.80
0.80
0.80

C
C
O
C
C
S
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2346
2347
2348
2349
2350
2351
2352
2353
2354
2355
2356
2357
2358
2359
2360
2361
2362
2363
2364
2365
2366
2367
2368
2369
2370
2371
2372
2373
2374
2375
2376
2377
2378
2379
2380
2381
2382
2383
2384
2385
2386
2387
2388
2389
2390
2391
2392
2393
2394
2395
2396
2397
2398
2399
2400
2401
2402
2403
2404
2405

N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB

MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TYR
TYR
TYR
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
303
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307

41.452
41.075
41.506
42.675
41.772
41.161
39.473
39.822
40.557
40.742
40.521
39.757
39.726
39.747
38.617
37.567
38.847
41.166
41.063
40.223
40.384
42.462
42.753
43.985
41.594
39.349
38.485
38.587
38.996
37.032
36.840
37.078
36.434
36.911
36.254
36.488
36.292
38.261
38.256
37.083
36.642
39.624
39.895
39.808
36.668
35.602
35.634
35.291
34.246
33.114
31.779
30.664
30.318
30.985
29.296
36.293
36.439
35.114
34.506
37.496

-26.859
-26.605
-27.779
-28.188
-25.331
-24.787
-24.108
-22.653
-28.249
-29.410
-29.000
-28.075
-30.496
-30.858
-31.797
-31.792
-32.516
-29.747
-29.531
-30.647
-31.818
-29.590
-28.478
-28.888
-28.128
-30.253
-31.176
-30.941
-29.865
-31.027
-31.579
-30.755
-32.894
-31.250
-33.386
-32.560
-33.047
-31.988
-31.979
-32.809
-33.770
-32.464
-33.954
-32.080
-32.454
-33.148
-32.686
-31.548
-32.811
-33.622
-33.128
-33.935
-35.157
-35.792
-35.755
-33.507
-33.249
-33.493
-34.554
-34.178

64.766
63.362
62.482
62.493
62.865
61.570
61.769
62.729
61.692
60.802
59.345
59.061
61.154
62.640
63.066
62.388
64.060
58.462
57.015
56.388
56.746
56.399
55.384
54.591
54.447
55.476
54.720
53.213
52.766
55.176
56.588
57.680
56.780
58.962
58.064
59.154
60.403
52.474
51.003
50.463
51.096
50.485
50.735
49.017
49.254
48.514
47.055
46.728
49.133
48.506
49.056
48.557
48.964
49.918
48.382
46.254
44.813
44.107
44.271
44.227

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82

N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2406
2407
2408
2409
2410
2411
2412
2413
2414
2415
2416
2417
2418
2419
2420
2421
2422
2423
2424
2425
2426
2427
2428
2429
2430
2431
2432
2433
2434
2435
2436
2437
2438
2439
2440
2441
2442
2443
2444
2445
2446
2447
2448
2449
2450
2451
2452
2453
2454
2455
2456
2457
2458
2459
2460
2461
2462
2463
2464
2465

CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB

TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
311
311
312
312
312
312
312
312
312
312
312
312
312
312
312
312
313
313
313
313
313
313
313
314
314
314
314
314

38.869
39.200
39.785
40.447
41.036
41.364
42.589
34.717
33.470
32.257
32.367
33.552
34.733
34.997
35.384
31.087
29.820
29.177
29.754
27.911
27.149
27.009
26.271
25.798
25.021
25.596
23.858
27.733
27.662
26.211
25.846
28.436
29.463
28.684
25.381
23.939
23.121
22.121
23.350
23.793
24.377
23.488
24.427
23.907
22.864
23.718
22.683
23.111
23.556
22.763
23.484
22.841
21.984
22.869
20.799
24.773
25.549
25.629
26.257
26.948

-33.875
-34.389
-33.102
-34.131
-32.845
-33.361
-33.130
-32.520
-32.568
-32.778
-32.916
-33.683
-33.493
-32.322
-34.510
-32.656
-32.796
-31.420
-30.388
-31.463
-30.234
-30.032
-30.791
-30.292
-28.971
-27.994
-28.967
-29.048
-28.688
-28.471
-28.852
-27.375
-27.482
-28.164
-28.035
-27.827
-29.090
-29.022
-27.035
-25.569
-24.950
-24.589
-23.650
-23.384
-24.603
-22.194
-23.413
-22.208
-30.227
-31.473
-32.763
-33.800
-31.706
-31.610
-30.742
-32.682
-33.866
-34.007
-33.195
-33.819

44.819
46.063
44.123
46.604
44.660
45.905
46.431
43.294
42.513
43.437
44.654
41.455
40.499
40.140
40.190
42.817
43.548
43.675
43.330
44.049
44.254
45.767
46.402
43.527
43.612
44.148
43.164
46.321
47.753
48.200
49.308
47.863
46.738
45.616
47.248
47.456
47.741
48.449
46.279
46.306
47.338
45.370
47.102
45.913
44.127
45.227
43.430
43.978
47.204
47.298
47.715
47.874
45.998
44.876
45.868
48.031
48.440
49.960
50.634
47.828

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.84
0.84
0.84
0.84
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84

C
C
C
C
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2466
2467
2468
2469
2470
2471
2472
2473
2474
2475
2476
2477
2478
2479
2480
2481
2482
2483
2484
2485
2486
2487
2488
2489
2490
2491
2492
2493
2494
2495
2496
2497
2498
2499
2500
2501
2502
2503
2504
2505
2506
2507
2508
2509
2510
2511
2512
2513
2514
2515
2516
2517
2518
2519
2520
2521
2522
2523
2524
2525

CG
OD1
OD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB

ASP
ASP
ASP
SER
SER
SER
SER
SER
SER
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

314
314
314
315
315
315
315
315
315
316
316
316
316
316
316
316
316
317
317
317
317
317
318
318
318
318
318
318
318
318
319
319
319
319
319
319
319
320
320
320
320
320
320
320
320
321
321
321
321
321
321
322
322
322
322
323
323
323
323
323

26.972
25.995
28.029
24.954
24.879
26.184
26.440
23.769
22.522
26.984
28.208
29.133
29.350
28.995
28.172
28.019
27.674
29.601
30.599
31.852
32.202
30.996
32.459
33.746
34.842
34.704
34.169
33.232
32.491
32.232
35.906
37.073
37.993
38.456
37.820
36.918
39.047
38.193
39.181
40.580
40.919
39.116
40.066
39.782
39.959
41.370
42.678
43.833
44.985
42.558
41.533
43.502
44.511
44.048
43.068
44.775
44.599
45.688
46.867
44.755

-34.197
-33.895
-34.705
-35.040
-35.343
-35.892
-35.764
-36.353
-35.842
-36.533
-37.231
-36.293
-35.143
-37.788
-38.631
-39.828
-38.046
-36.819
-36.143
-35.834
-36.600
-37.075
-34.687
-34.349
-35.305
-35.982
-32.897
-31.779
-32.103
-31.373
-35.372
-36.202
-35.384
-34.311
-36.643
-37.370
-37.510
-35.904
-35.338
-35.449
-36.468
-36.071
-35.485
-34.005
-36.291
-34.408
-34.273
-33.873
-33.802
-33.282
-33.729
-33.641
-33.280
-32.198
-31.481
-32.181
-31.235
-30.166
-30.424
-32.006

46.344
45.627
45.919
50.450
51.898
52.481
53.677
52.193
51.722
51.626
52.060
52.847
52.471
50.871
49.901
50.205
48.912
53.973
54.816
53.992
53.091
55.965
54.263
53.633
54.110
55.135
53.901
53.417
52.128
54.487
53.330
53.672
54.577
54.189
52.406
51.568
52.712
55.783
56.715
56.088
55.486
58.061
59.117
59.399
60.411
56.297
55.617
56.541
56.114
54.454
53.562
57.821
58.828
59.803
59.590
60.906
62.019
61.872
62.122
63.342

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82
0.82
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.84
0.84
0.84
0.84
0.84

C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2526
2527
2528
2529
2530
2531
2532
2533
2534
2535
2536
2537
2538
2539
2540
2541
2542
2543
2544
2545
2546
2547
2548
2549
2550
2551
2552
2553
2554
2555
2556
2557
2558
2559
2560
2561
2562
2563
2564
2565
2566
2567
2568
2569
2570
2571
2572
2573
2574
2575
2576
2577
2578
2579
2580
2581
2582
2583
2584
2585

CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O

VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

323
323
324
324
324
324
324
324
324
324
325
325
325
325
325
325
325
326
326
326
326
326
326
327
327
327
327
327
327
327
327
328
328
328
328
328
328
328
328
328
329
329
329
329
329
329
329
329
329
330
330
330
330
330
330
330
331
331
331
331

44.854
43.630
45.255
46.160
46.477
47.599
45.527
45.306
44.609
42.954
45.461
45.568
44.876
43.807
44.881
45.031
45.430
45.462
44.904
43.915
43.965
46.033
46.718
43.091
42.098
42.692
41.965
41.144
41.767
39.871
42.862
43.992
44.727
45.018
45.298
46.041
45.949
45.694
46.077
45.151
44.995
45.308
44.062
43.117
46.367
47.763
48.408
48.806
48.507
44.057
42.959
42.781
43.758
43.389
44.288
45.038
41.513
41.112
39.873
38.776

-31.083
-33.032
-28.987
-27.827
-27.243
-26.858
-26.776
-27.354
-26.173
-26.004
-27.246
-26.773
-27.823
-28.327
-25.398
-24.820
-24.358
-28.081
-29.044
-28.334
-27.113
-29.694
-28.711
-29.120
-28.597
-27.799
-27.113
-29.684
-31.080
-29.708
-31.138
-27.984
-27.173
-25.740
-24.861
-27.835
-28.445
-29.957
-30.628
-30.424
-25.535
-24.235
-23.533
-24.204
-24.421
-24.784
-23.614
-22.643
-23.715
-22.194
-21.354
-21.512
-21.493
-19.920
-20.064
-21.360
-21.632
-21.680
-20.809
-21.192

64.561
63.518
61.465
61.341
62.726
63.036
60.429
59.027
57.819
58.450
63.581
64.970
65.853
65.501
65.086
66.485
64.101
67.014
67.983
68.915
69.080
68.790
69.573
69.594
70.560
71.734
72.442
71.085
71.241
70.245
72.312
71.985
72.975
72.502
73.315
73.396
74.801
74.823
73.836
75.846
71.188
70.581
70.003
69.574
69.493
69.996
70.739
70.056
71.978
70.044
69.523
68.009
67.257
69.830
71.054
70.772
67.613
66.193
65.957
66.357

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80

C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2586
2587
2588
2589
2590
2591
2592
2593
2594
2595
2596
2597
2598
2599
2600
2601
2602
2603
2604
2605
2606
2607
2608
2609
2610
2611
2612
2613
2614
2615
2616
2617
2618
2619
2620
2621
2622
2623
2624
2625
2626
2627
2628
2629
2630
2631
2632
2633
2634
2635
2636
2637
2638
2639
2640
2641
2642
2643
2644
2645

N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA

TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLU
GLU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

332
332
332
332
332
332
332
332
332
332
332
332
332
332
333
333
333
333
333
333
333
333
333
333
333
333
334
334
334
334
334
334
335
335
335
335
335
335
335
335
335
335
335
336
336
336
336
337
337
337
337
337
337
337
337
337
337
337
338
338

40.096
39.005
38.768
38.843
39.317
39.272
39.932
38.563
39.664
38.833
37.722
38.257
37.136
37.399
38.489
38.239
39.356
40.530
38.180
36.938
36.224
36.518
35.110
35.396
34.697
33.677
38.929
39.850
39.383
38.225
39.922
38.637
40.330
40.086
40.960
41.896
40.329
41.718
42.814
41.886
44.086
43.158
44.257
40.617
41.360
41.845
41.225
43.000
43.625
44.511
44.737
44.443
45.616
45.419
46.885
46.500
47.967
47.772
44.923
45.716

-19.602
-18.644
-18.561
-19.583
-17.279
-17.325
-18.180
-16.470
-17.918
-16.879
-15.387
-16.216
-14.731
-15.145
-17.367
-17.142
-17.760
-17.741
-15.643
-14.923
-15.382
-13.769
-14.706
-13.087
-13.557
-12.830
-18.503
-19.054
-18.578
-18.192
-20.582
-21.160
-18.504
-17.989
-18.712
-19.424
-16.474
-16.111
-16.138
-15.871
-15.924
-15.660
-15.683
-18.480
-19.027
-17.894
-16.831
-18.129
-17.219
-18.045
-19.231
-16.129
-16.687
-17.101
-16.711
-17.527
-17.132
-17.537
-17.435
-18.148

65.451
65.179
63.669
62.984
65.812
67.334
68.114
68.159
69.385
69.455
67.924
70.526
68.998
70.298
63.152
61.720
60.885
61.255
61.405
61.940
63.046
61.290
63.495
61.738
62.840
63.346
59.893
58.891
57.519
57.331
58.981
58.742
56.605
55.247
54.222
54.581
55.209
55.737
54.884
57.094
55.396
57.605
56.755
52.955
51.812
50.907
50.826
50.312
49.333
48.398
48.635
50.039
50.846
52.156
50.281
52.915
51.040
52.355
47.297
46.285

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90

N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2646
2647
2648
2649
2650
2651
2652
2653
2654
2655
2656
2657
2658
2659
2660
2661
2662
2663
2664
2665
2666
2667
2668
2669
2670
2671
2672
2673
2674
2675
2676
2677
2678
2679
2680
2681
2682
2683
2684
2685
2686
2687
2688
2689
2690
2691
2692
2693
2694
2695
2696
2697
2698
2699
2700
2701
2702
2703
2704
2705

C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N
CA
C
O

GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

338
338
338
338
338
338
338
339
339
339
339
339
339
339
339
340
340
340
340
340
340
340
340
340
341
341
341
341
341
341
341
341
342
342
342
342
342
342
342
342
342
343
343
343
343
343
343
343
343
343
344
344
344
344
344
344
345
345
345
345

46.953
46.848
44.873
43.650
42.881
43.565
41.635
48.103
49.390
49.455
49.091
50.579
50.409
51.862
51.444
49.972
50.137
51.569
52.533
49.835
48.359
47.496
46.054
45.260
51.685
52.983
53.086
52.057
53.063
54.408
55.435
54.343
54.294
54.608
53.573
53.216
55.977
57.097
57.335
58.411
58.685
53.065
52.061
50.774
49.944
52.708
53.319
54.821
55.128
56.552
50.625
49.485
49.230
50.082
49.719
51.283
48.064
47.610
47.768
47.490

-17.354
-16.222
-18.422
-19.281
-19.653
-19.919
-19.621
-17.932
-17.380
-17.561
-18.614
-18.072
-18.091
-17.315
-18.947
-16.536
-16.523
-16.925
-16.236
-15.125
-14.734
-15.425
-14.929
-15.391
-18.139
-18.664
-18.440
-18.383
-20.149
-20.768
-20.049
-21.885
-18.510
-18.248
-18.769
-18.045
-18.848
-18.503
-16.998
-16.747
-15.312
-19.983
-20.595
-21.160
-21.718
-21.698
-21.158
-21.436
-22.934
-23.138
-21.050
-21.666
-21.019
-20.317
-23.179
-23.624
-21.330
-20.756
-21.783
-22.966

45.885
45.406
45.043
45.372
44.114
43.097
44.214
46.187
45.724
44.196
43.666
46.411
47.941
46.036
48.679
43.533
42.070
41.709
42.047
41.522
41.645
40.587
40.682
39.537
41.195
40.741
39.228
38.583
41.100
40.723
40.736
40.202
38.680
37.257
36.240
35.319
36.904
37.896
38.045
39.100
39.251
36.470
35.575
36.191
35.472
34.747
33.451
33.393
33.487
33.760
37.506
38.206
39.567
40.122
38.331
39.169
40.108
41.385
42.502
42.324

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.95
0.95
0.95
0.95
0.95
0.95
0.89
0.89
0.89
0.89

C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2706
2707
2708
2709
2710
2711
2712
2713
2714
2715
2716
2717
2718
2719
2720
2721
2722
2723
2724
2725
2726
2727
2728
2729
2730
2731
2732
2733
2734
2735
2736
2737
2738
2739
2740
2741
2742
2743
2744
2745
2746
2747
2748
2749
2750
2751
2752
2753
2754
2755
2756
2757
2758
2759
2760
2761
2762
2763
2764
2765

CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
SD

ASP
ASP
ASP
ASP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
MET
MET
MET
MET
MET
MET
MET

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

345
345
345
345
346
346
346
346
346
346
346
347
347
347
347
347
347
347
348
348
348
348
348
348
349
349
349
349
349
349
349
349
350
350
350
350
351
351
351
351
351
351
351
351
352
352
352
352
352
352
352
352
352
353
353
353
353
353
353
353

46.147
45.917
46.825
44.777
48.190
48.504
47.484
47.607
49.943
50.381
50.971
46.424
45.357
45.917
46.812
44.324
45.163
46.237
45.424
45.887
44.735
43.684
46.970
48.454
44.968
44.100
44.951
45.935
43.434
42.338
42.920
41.098
44.395
44.945
44.000
42.778
44.591
43.851
44.219
45.379
44.146
43.899
43.321
45.112
43.199
43.287
43.294
42.302
42.092
42.116
40.805
39.748
40.887
44.418
44.616
44.635
45.648
45.932
46.024
47.545

-20.325
-19.183
-18.884
-18.675
-21.292
-22.153
-21.836
-20.785
-21.942
-23.145
-21.672
-22.650
-22.456
-22.635
-23.455
-23.531
-24.671
-23.934
-21.813
-21.790
-21.490
-20.985
-20.718
-20.907
-21.848
-21.542
-20.841
-21.405
-22.833
-23.352
-22.739
-22.456
-19.731
-18.997
-19.151
-19.156
-19.330
-19.534
-18.403
-18.269
-20.900
-22.099
-21.096
-22.439
-17.646
-16.668
-17.424
-18.030
-15.727
-14.721
-13.955
-14.608
-12.729
-17.319
-17.968
-16.887
-16.221
-18.748
-19.775
-20.785

41.260
40.260
39.457
40.241
43.651
44.805
45.912
46.555
45.315
46.154
44.209
46.017
47.016
48.433
48.663
46.675
46.106
45.306
49.344
50.744
51.707
51.302
50.921
49.866
52.961
54.113
55.182
55.670
54.653
53.705
56.103
53.570
55.662
56.812
58.007
57.847
59.177
60.437
61.400
61.805
61.101
60.176
62.382
59.302
61.763
62.855
64.191
64.604
62.784
63.929
63.999
63.879
64.208
64.871
66.179
67.263
67.485
66.182
65.050
65.134

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94
0.94
0.94
0.94
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.93
0.93
0.93
0.93
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.82
0.82
0.82
0.82
0.82
0.82
0.82

C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
S

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2766
2767
2768
2769
2770
2771
2772
2773
2774
2775
2776
2777
2778
2779
2780
2781
2782
2783
2784
2785
2786
2787
2788
2789
2790
2791
2792
2793
2794
2795
2796
2797
2798
2799
2800
2801
2802
2803
2804
2805
2806
2807
2808
2809
2810
2811
2812
2813
2814
2815
2816
2817
2818
2819
2820
2821
2822
2823
2824
2825

CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA

MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TRP
TRP

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

353
354
354
354
354
354
354
354
355
355
355
355
355
355
355
355
355
355
356
356
356
356
356
356
356
356
357
357
357
357
358
358
358
358
359
359
359
359
359
359
359
359
359
360
360
360
360
360
360
360
360
361
361
361
361
361
361
361
362
362

47.185
43.464
43.272
43.824
43.539
41.790
41.484
41.355
44.443
44.863
43.756
43.448
46.152
47.269
48.014
47.695
48.886
48.716
43.099
41.988
42.196
42.152
40.678
39.451
39.550
38.489
42.385
42.644
41.662
42.063
40.391
39.323
39.172
39.794
38.432
38.211
38.893
38.709
36.701
36.362
34.860
34.025
34.069
39.770
40.591
42.081
42.962
40.373
39.043
38.777
38.304
42.332
43.688
43.580
42.477
44.498
45.869
43.937
44.731
44.815

-21.766
-16.643
-15.529
-15.854
-16.896
-15.106
-13.998
-14.592
-14.828
-14.768
-14.059
-12.888
-13.956
-14.483
-15.554
-13.916
-15.653
-14.632
-14.842
-14.348
-14.743
-15.923
-14.888
-14.469
-13.454
-15.257
-13.710
-13.888
-13.094
-12.458
-13.097
-12.295
-10.955
-10.735
-10.049
-8.685
-7.627
-6.423
-8.428
-7.263
-6.968
-8.041
-7.916
-8.117
-7.283
-7.315
-7.257
-7.730
-7.227
-6.014
-8.090
-7.445
-7.434
-7.343
-7.349
-8.670
-8.500
-10.002
-7.285
-7.251

66.575
67.836
68.790
70.184
70.774
68.845
69.862
67.476
70.745
72.154
72.943
72.712
72.298
71.402
71.647
70.277
70.653
69.823
73.786
74.607
76.074
76.412
74.025
74.831
75.570
74.781
76.900
78.345
79.215
80.187
78.786
79.413
78.679
77.639
79.308
78.774
79.660
79.505
78.676
77.730
77.680
76.969
75.504
80.536
81.428
81.048
81.905
82.879
83.443
83.305
83.964
79.749
79.160
77.630
77.079
79.609
79.228
79.092
76.972
75.502

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.73
0.73

C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2826
2827
2828
2829
2830
2831
2832
2833
2834
2835
2836
2837
2838
2839
2840
2841
2842
2843
2844
2845
2846
2847
2848
2849
2850
2851
2852
2853
2854
2855
2856
2857
2858
2859
2860
2861
2862
2863
2864
2865
2866
2867
2868
2869
2870
2871
2872
2873
2874
2875
2876
2877
2878
2879
2880
2881
2882
2883
2884
2885

C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA

TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

362
362
362
362
362
362
362
362
362
362
362
362
363
363
363
363
363
363
363
363
363
363
364
364
364
364
364
364
365
365
365
365
365
366
366
366
366
366
367
367
367
367
367
367
367
368
368
368
368
368
369
369
369
369
369
369
369
369
370
370

44.256
44.232
46.249
47.267
47.888
47.700
48.693
48.603
47.433
49.246
48.088
48.993
43.745
43.072
43.598
43.529
41.576
40.708
40.167
40.216
39.326
39.361
44.259
44.843
44.927
44.539
46.220
46.646
45.460
45.501
46.875
47.696
44.436
47.080
48.207
47.630
46.440
48.931
48.472
48.024
48.871
50.073
48.056
47.334
47.436
48.228
48.821
48.378
47.293
48.326
49.228
48.976
49.418
50.595
49.631
48.886
49.710
49.505
48.450
48.661

-8.519
-9.615
-6.969
-7.987
-7.944
-9.124
-9.000
-9.741
-9.658
-10.903
-10.814
-11.436
-8.281
-9.286
-9.107
-8.000
-8.969
-10.079
-11.067
-10.130
-11.722
-11.148
-10.130
-10.055
-11.441
-12.438
-9.393
-8.936
-11.500
-12.734
-13.019
-12.125
-12.635
-14.301
-14.839
-15.453
-15.781
-15.906
-15.600
-16.115
-17.319
-17.191
-15.012
-13.868
-15.480
-18.478
-19.725
-19.900
-19.448
-20.912
-20.508
-20.645
-22.023
-22.385
-19.483
-18.165
-19.763
-16.900
-22.696
-23.971

74.835
75.399
75.040
75.553
76.729
74.890
76.843
75.740
73.634
75.338
73.227
74.079
73.637
72.800
71.374
70.845
72.842
72.252
72.956
71.018
72.161
70.963
70.854
69.499
68.852
69.465
69.598
68.312
67.640
66.842
66.224
66.013
65.748
65.978
65.199
63.916
63.856
66.026
62.907
61.598
61.183
60.947
60.526
60.993
59.204
61.190
60.667
59.210
58.843
61.491
58.393
56.943
56.437
56.523
56.155
56.441
54.641
55.833
55.835
55.128

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.84
0.84
0.84
0.84
0.84
0.84
0.87
0.87
0.87
0.87
0.87
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.89
0.89

C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2886
2887
2888
2889
2890
2891
2892
2893
2894
2895
2896
2897
2898
2899
2900
2901
2902
2903
2904
2905
2906
2907
2908
2909
2910
2911
2912
2913
2914
2915
2916
2917
2918
2919
2920
2921
2922
2923
2924
2925
2926
2927
2928
2929
2930
2931
2932
2933
2934
2935
2936
2937
2938
2939
2940
2941
2942
2943
2944
2945

C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

370
370
370
370
370
370
370
370
370
370
371
371
371
371
371
371
372
372
372
372
372
372
372
372
373
373
373
373
373
373
373
373
374
374
374
374
375
375
375
375
375
375
376
376
376
376
377
377
377
377
377
377
377
377
377
378
378
378
378
378

48.345
47.358
47.752
48.169
48.197
48.572
48.644
49.017
49.059
49.512
49.251
49.112
49.254
49.820
50.171
49.940
48.689
48.777
50.231
50.820
47.889
47.765
46.800
47.335
50.812
52.208
52.376
52.005
53.089
53.569
54.517
53.171
52.922
53.241
52.111
50.914
52.531
51.613
51.822
52.597
51.823
51.581
50.951
51.016
49.828
48.753
50.094
49.117
49.659
50.837
49.073
48.975
47.556
46.828
47.186
48.791
49.258
50.051
49.609
48.011

-23.777
-23.132
-25.058
-25.475
-24.555
-26.783
-24.932
-27.168
-26.239
-26.614
-24.275
-24.237
-25.643
-26.542
-23.310
-21.531
-25.802
-27.049
-27.308
-26.527
-26.934
-28.261
-29.225
-28.009
-28.348
-28.730
-30.235
-31.011
-28.270
-26.832
-26.263
-25.733
-30.603
-32.006
-32.978
-32.671
-34.144
-35.258
-35.784
-35.205
-36.390
-35.881
-36.726
-37.392
-36.944
-36.624
-36.866
-36.421
-35.108
-34.812
-37.445
-38.901
-39.357
-38.820
-40.429
-34.267
-33.105
-33.658
-34.599
-32.322

53.647
53.290
55.707
57.119
58.164
57.345
59.416
58.601
59.630
60.846
52.825
51.358
50.771
51.405
50.754
51.120
49.580
48.799
48.376
47.625
47.557
46.798
47.488
45.355
48.954
48.680
48.501
49.381
49.835
49.668
51.123
52.159
47.332
47.009
47.383
47.300
47.840
48.155
49.575
50.320
47.152
45.842
49.957
51.268
52.119
51.608
53.407
54.419
54.993
54.848
55.558
55.085
54.752
53.933
55.414
55.543
56.324
57.525
58.182
56.743

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.85
0.85
0.85
0.85
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.80
0.80
0.80
0.80
0.80

C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
O
N
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

2946
2947
2948
2949
2950
2951
2952
2953
2954
2955
2956
2957
2958
2959
2960
2961
2962
2963
2964
2965
2966
2967
2968
2969
2970
2971
2972
2973
2974
2975
2976
2977
2978
2979
2980
2981
2982
2983
2984
2985
2986
2987
2988
2989
2990
2991
2992
2993
2994
2995
2996
2997
2998
2999
3000
3001
3002
3003
3004
3005

CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA

LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
VAL
VAL

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A

378
378
378
379
379
379
379
379
379
379
379
380
380
380
380
380
380
380
380
380
380
380
380
380
380
381
381
381
381
381
381
381
381
382
382
382
382
382
382
382
383
383
383
383
383
383
383
384
384
384
384
384
384
384
385
385
385
385
386
386

48.307
47.174
48.386
51.231
52.168
52.167
52.180
53.615
54.048
53.797
53.428
52.170
52.374
51.374
50.916
53.820
54.495
54.104
55.653
54.956
55.919
56.536
57.064
57.693
57.956
51.056
50.134
50.901
52.125
49.323
50.188
51.217
49.812
50.129
50.654
50.288
49.190
50.081
50.422
50.644
51.272
51.131
51.502
52.221
52.006
51.658
53.509
51.105
51.383
52.686
53.347
50.220
50.136
48.881
52.931
54.113
53.972
54.760
52.943
52.680

-30.945
-30.001
-31.017
-33.096
-33.672
-33.024
-33.717
-33.698
-34.987
-36.243
-35.110
-31.695
-30.947
-29.817
-29.156
-30.442
-30.853
-31.826
-30.306
-31.920
-31.013
-29.323
-30.740
-29.062
-29.769
-29.645
-28.609
-27.332
-27.347
-29.162
-29.603
-30.268
-29.267
-26.320
-24.995
-24.680
-24.967
-23.918
-24.248
-22.523
-24.097
-23.518
-22.030
-21.640
-24.272
-25.765
-24.097
-21.240
-19.788
-19.452
-18.472
-18.950
-19.097
-19.322
-20.220
-20.056
-18.888
-18.750
-18.071
-16.885

57.339
56.943
58.867
57.766
58.755
60.139
61.155
58.238
57.520
58.360
56.133
60.150
61.392
61.602
60.659
61.452
62.765
63.593
63.296
64.607
64.458
62.857
65.191
63.582
64.750
62.865
63.360
63.747
63.896
64.544
65.730
65.478
66.873
64.105
64.471
65.920
66.403
63.535
62.191
63.821
66.580
67.925
67.813
66.892
68.949
68.990
68.709
68.792
68.738
69.475
69.142
69.288
70.710
68.643
70.556
71.424
72.414
73.347
72.210
73.043

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.78
0.78

C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3006
3007
3008
3009
3010
3011
3012
3013
3014
3015
3016
3017
3018
3019
3020
3021
3022
3023
3024
3025
3026
3027
3028
3029
3030
3031
3032
3033
3034
3035
3036
3037
3038
3039
3040
3041
3042
3043
3044
3045
3046
3047
3048
3049
3050
3051
3052
3053
3054
3055
3056
3057
3058
3059
3060
3061
3062
3063
3064
3065

C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
OXT
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
OE1

VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU

A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

386
386
386
386
386
387
387
387
387
387
387
387
387
388
388
388
388
388
388
388
388
389
389
389
389
389
390
390
390
390
390
390
390
390
390
390
1
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
3
3
3
3
3
3
3
3

52.162
51.182
51.702
51.336
52.303
52.748
52.290
51.741
52.491
53.479
53.144
52.069
54.011
50.463
49.774
50.209
49.988
48.253
47.760
45.942
45.726
50.832
51.320
52.702
53.244
51.328
53.243
54.530
54.381
53.286
55.354
55.646
56.615
56.237
55.377

-17.299
-18.034
-15.934
-14.697
-15.453
-16.630
-16.638
-15.231
-14.256
-16.959
-16.954
-16.420
-17.398
-15.185
-13.901
-13.136
-11.929
-14.060
-14.386
-14.278
-12.510
-13.834
-13.220
-12.549
-12.029
-14.279
-12.514
-11.842
-10.374
-10.030
-12.644
-14.085
-14.735
-14.177
-9.631

74.426
74.562
72.330
73.162
71.010
75.404
76.799
77.081
77.124
77.715
79.214
79.580
79.988
77.442
77.689
78.950
79.033
77.662
76.249
76.071
76.067
79.901
81.152
81.028
82.002
82.258
79.811
79.548
79.118
78.618
78.532
78.985
78.005
80.396
79.279

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.78
0.78
0.78
0.78
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.66
0.66
0.66
0.66
0.66
0.66
0.66
0.66
0.61
0.61
0.61
0.61
0.61
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58

C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
C
C
C
O

73.237
73.586
73.680
73.605
74.898
76.194
76.432
75.794
77.167
73.845
74.111
75.452
76.185
74.125
74.600
73.877
75.723
76.953
77.909
77.537
76.573
75.373
75.634
75.532

1.244
1.417
2.926
3.767
0.642
1.417
1.657
2.568
0.821
3.276
4.667
5.144
4.390
4.624
3.208
2.388
6.418
7.079
7.392
7.278
8.328
9.127
9.796
9.083

29.617
31.039
31.407
30.503
31.293
31.018
29.530
28.956
28.968
32.692
33.102
32.526
31.900
34.631
34.939
33.876
32.713
32.235
33.396
34.565
31.419
31.959
33.310
34.332

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78

N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3066
3067
3068
3069
3070
3071
3072
3073
3074
3075
3076
3077
3078
3079
3080
3081
3082
3083
3084
3085
3086
3087
3088
3089
3090
3091
3092
3093
3094
3095
3096
3097
3098
3099
3100
3101
3102
3103
3104
3105
3106
3107
3108
3109
3110
3111
3112
3113
3114
3115
3116
3117
3118
3119
3120
3121
3122
3123
3124
3125

OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2

GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

3
4
4
4
4
4
4
4
4
4
4
4
4
4
4
5
5
5
5
5
5
5
6
6
6
6
6
6
6
6
6
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
8
8
8
8
8
9
9
9
9
9
9
9
9

75.871
79.170
80.175
79.966
79.639
81.595
81.960
82.394
82.118
82.821
82.670
81.829
82.941
82.086
82.640
80.142
80.042
81.285
82.422
79.750
78.364
80.109
80.989
81.978
81.563
80.372
82.050
82.703
81.930
84.040
82.493
84.606
83.827
84.366
82.522
82.217
81.665
82.177
83.551
84.589
83.982
80.555
79.901
80.192
81.008
78.391
78.086
77.282
75.863
74.826
74.983
73.620
79.550
79.667
78.772
77.738
79.354
80.275
80.061
81.764

11.019
7.632
8.000
9.450
10.322
7.848
6.414
6.038
5.330
4.778
4.310
5.120
3.076
3.883
2.865
9.667
11.009
11.853
11.384
10.892
10.582
12.105
13.125
14.202
15.419
15.556
14.614
13.529
12.483
13.638
11.542
12.702
11.660
10.751
16.250
17.541
18.512
18.619
18.014
17.389
16.030
19.133
20.154
21.527
21.640
19.890
18.494
17.681
17.682
17.691
17.777
17.460
22.585
23.873
23.872
23.197
25.060
25.152
26.507
24.951

33.281
33.062
34.077
34.526
33.717
33.530
33.139
31.938
33.985
31.988
33.225
35.328
33.795
35.891
35.134
35.822
36.431
36.121
36.183
37.942
38.100
38.812
35.889
35.718
36.557
36.865
34.245
33.391
32.905
33.037
32.058
32.182
31.689
30.839
36.978
37.614
36.564
35.448
38.192
37.264
36.907
36.926
36.080
36.702
37.603
36.040
35.494
36.505
36.125
36.957
38.271
36.475
36.228
36.932
38.167
38.208
36.018
34.790
34.118
35.108

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80

O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3126
3127
3128
3129
3130
3131
3132
3133
3134
3135
3136
3137
3138
3139
3140
3141
3142
3143
3144
3145
3146
3147
3148
3149
3150
3151
3152
3153
3154
3155
3156
3157
3158
3159
3160
3161
3162
3163
3164
3165
3166
3167
3168
3169
3170
3171
3172
3173
3174
3175
3176
3177
3178
3179
3180
3181
3182
3183
3184
3185

N
CA
C
O
CB
OG
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA

SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

10
10
10
10
10
10
11
11
11
11
11
11
12
12
12
12
12
12
12
12
12
13
13
13
13
14
14
14
14
14
14
15
15
15
15
15
15
15
16
16
16
16
16
16
16
16
16
16
16
17
17
17
17
17
17
17
17
17
18
18

79.275
78.476
77.188
77.117
79.279
80.467
76.140
74.866
75.125
75.980
73.804
73.421
74.462
74.679
74.121
73.015
74.143
74.360
75.787
76.009
76.783
74.965
74.702
75.935
76.922
75.932
77.043
77.324
78.433
76.851
75.613
76.299
76.426
76.025
75.392
75.600
75.921
74.090
76.394
75.998
74.992
75.066
77.198
78.083
78.413
78.542
79.190
79.319
79.640
74.074
72.988
72.841
73.109
71.684
71.780
71.897
71.882
71.922
72.455
72.105

24.496
24.680
25.447
26.187
25.459
24.721
25.142
25.875
27.302
27.522
25.199
23.480
28.261
29.665
29.952
29.548
30.634
32.115
32.452
33.040
31.972
30.662
31.165
31.979
32.064
32.435
33.264
33.086
33.343
34.748
35.233
32.665
32.393
30.952
30.251
33.410
33.270
33.262
30.560
29.273
29.494
30.458
28.546
27.823
28.368
26.557
27.641
25.832
26.374
28.548
28.593
27.216
26.196
28.990
30.332
31.592
32.707
31.457
27.218
25.984

39.222
40.448
40.124
39.136
41.490
41.792
40.870
40.783
41.271
42.135
41.652
41.152
40.641
41.016
42.417
42.772
39.951
40.318
40.783
41.826
40.069
43.157
44.512
44.912
44.175
46.149
46.664
48.157
48.613
46.324
46.853
48.892
50.334
50.674
49.878
51.141
52.525
50.930
51.882
52.472
53.596
54.357
53.067
52.052
50.816
52.391
49.927
51.498
50.261
53.689
54.681
55.326
54.685
53.975
53.228
54.100
53.614
55.411
56.601
57.331

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.80
0.80

N
C
C
O
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C
O
N
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
O
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3186
3187
3188
3189
3190
3191
3192
3193
3194
3195
3196
3197
3198
3199
3200
3201
3202
3203
3204
3205
3206
3207
3208
3209
3210
3211
3212
3213
3214
3215
3216
3217
3218
3219
3220
3221
3222
3223
3224
3225
3226
3227
3228
3229
3230
3231
3232
3233
3234
3235
3236
3237
3238
3239
3240
3241
3242
3243
3244
3245

C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N

LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ARG

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

18
18
18
18
18
18
18
19
19
19
19
19
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
23
23
23
23
23
23
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
25
25
26

71.035
70.131
71.540
71.235
70.602
70.287
69.658
71.223
70.369
69.697
68.495
71.216
70.456
70.044
70.983
72.158
70.075
69.689
68.248
69.887
70.369
71.060
70.625
69.449
70.706
71.195
72.724
70.568
71.600
71.369
71.910
73.116
72.036
71.548
71.871
70.039
71.011
71.368
70.658
69.647
71.057
71.583
71.217
70.633
70.407
69.415
71.672
72.376
72.469
71.282
71.274
70.232
70.031
72.683
73.668
73.834
74.348
74.582
74.900
69.496

25.243
25.872
26.385
25.181
25.657
24.476
24.961
23.943
23.132
21.964
21.754
22.613
21.326
20.087
19.772
20.157
18.943
17.566
17.536
16.504
19.187
18.646
17.192
16.848
19.505
18.922
18.889
19.689
16.374
14.967
14.782
14.595
14.006
14.236
12.532
14.044
14.922
14.735
13.485
13.577
16.011
15.886
12.299
10.993
10.848
10.269
9.968
10.647
12.086
11.477
11.382
12.277
12.191
11.636
10.623
9.377
10.757
8.727
9.582
13.045

56.513
55.968
58.697
59.590
60.894
61.810
63.043
56.365
55.477
56.196
56.055
54.312
57.084
57.754
58.922
58.926
56.725
57.279
57.795
56.200
59.938
61.114
61.325
61.185
62.335
63.668
63.766
64.829
61.694
62.064
63.481
63.665
61.057
59.614
61.466
59.386
64.445
65.861
66.417
67.120
66.644
67.963
66.120
66.490
68.002
68.440
66.035
64.870
65.365
68.782
70.255
70.942
72.155
70.799
70.215
70.641
69.077
69.765
68.794
70.133

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.81

C
O
C
C
C
C
N
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3246
3247
3248
3249
3250
3251
3252
3253
3254
3255
3256
3257
3258
3259
3260
3261
3262
3263
3264
3265
3266
3267
3268
3269
3270
3271
3272
3273
3274
3275
3276
3277
3278
3279
3280
3281
3282
3283
3284
3285
3286
3287
3288
3289
3290
3291
3292
3293
3294
3295
3296
3297
3298
3299
3300
3301
3302
3303
3304
3305

CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
CB

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

26
26
26
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
27
27
27
28
28
28
28
29
29
29
29
29
29
29
29
29
30
30
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
32
32
32
32
33
33
33
33
33

68.230
67.202
66.319
67.646
68.407
68.086
66.725
66.061
66.592
64.859
67.452
66.593
67.330
67.038
66.149
65.637
64.390
66.410
63.906
65.922
64.670
68.242
69.049
68.841
69.659
67.740
67.397
67.138
66.711
66.159
66.259
65.649
66.278
64.529
67.337
67.050
65.536
65.107
67.543
69.051
67.226
69.575
64.765
63.294
62.738
61.549
62.657
63.175
62.345
62.308
61.403
63.576
63.256
63.216
63.825
62.635
62.536
63.294
62.821
61.066

13.668
12.592
12.824
14.528
15.842
16.870
17.407
18.165
18.493
18.637
11.378
10.195
9.044
7.871
9.714
10.837
11.395
11.254
12.376
12.231
12.791
9.390
8.373
8.346
7.800
8.923
8.990
7.565
6.702
9.861
11.272
11.349
10.823
11.888
7.378
6.087
5.808
4.685
6.106
6.406
4.771
6.721
6.870
6.815
6.706
6.474
7.992
9.376
10.484
10.389
11.394
7.123
7.022
5.553
4.694
5.349
4.010
3.882
3.306
3.634

70.575
70.967
71.788
69.451
69.250
70.334
70.148
71.019
72.189
70.717
70.469
70.643
71.360
71.133
69.255
68.358
68.596
67.282
67.744
66.427
66.658
72.278
72.990
74.509
75.251
74.971
76.403
76.909
76.144
76.670
76.076
74.671
73.734
74.577
78.206
78.870
78.801
78.578
80.329
80.381
81.029
81.786
79.018
78.928
77.498
77.318
79.665
79.247
79.898
81.425
81.988
76.532
75.096
74.641
75.269
73.462
72.834
71.501
70.516
72.631

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.81
0.81
0.81
0.81
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.79
0.79
0.79
0.79
0.78
0.78
0.78
0.78
0.78

C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3306
3307
3308
3309
3310
3311
3312
3313
3314
3315
3316
3317
3318
3319
3320
3321
3322
3323
3324
3325
3326
3327
3328
3329
3330
3331
3332
3333
3334
3335
3336
3337
3338
3339
3340
3341
3342
3343
3344
3345
3346
3347
3348
3349
3350
3351
3352
3353
3354
3355
3356
3357
3358
3359
3360
3361
3362
3363
3364
3365

CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O

ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

33
33
33
34
34
34
34
34
34
35
35
35
35
35
36
36
36
36
36
36
36
37
37
37
37
37
37
37
37
38
38
38
38
38
38
38
38
39
39
39
39
39
39
39
39
40
40
40
40
40
40
40
40
40
40
40
41
41
41
41

60.317
60.836
59.053
64.445
65.269
66.674
67.073
65.334
64.035
67.390
68.759
69.626
69.817
68.691
70.025
70.980
72.365
72.776
70.950
70.596
69.586
72.997
74.375
75.369
75.211
74.819
74.092
74.517
74.455
76.342
77.479
78.529
79.152
78.073
77.062
79.424
77.537
78.756
79.685
80.683
80.552
78.906
78.285
77.889
77.248
81.513
82.525
83.047
82.669
83.676
83.489
84.026
85.477
86.401
86.107
87.657
83.770
84.232
83.090
83.147

3.352
2.840
3.695
4.538
4.511
3.959
3.704
5.894
6.265
3.729
3.183
3.739
3.075
1.649
5.015
5.625
5.016
4.789
7.113
7.151
6.012
4.635
4.108
5.139
6.346
3.691
2.450
2.229
1.199
4.636
5.434
5.510
4.494
4.809
4.883
5.450
4.239
6.708
6.908
8.055
8.828
7.110
8.512
5.991
8.955
8.247
9.311
9.270
8.381
9.110
9.955
11.375
11.417
12.136
12.931
12.122
10.318
10.554
10.382
9.486

73.930
74.905
73.926
71.423
70.200
70.449
71.580
69.546
69.082
69.356
69.411
68.265
67.234
69.423
68.377
67.441
67.668
68.812
67.785
69.269
69.379
66.568
66.607
67.157
66.961
65.203
64.679
63.234
65.482
67.904
68.405
67.286
66.962
69.683
70.840
70.046
72.151
66.785
65.654
65.901
66.847
64.330
64.157
64.052
65.196
64.882
64.730
63.291
62.515
65.724
66.986
66.813
67.069
66.426
65.415
66.844
62.908
61.519
60.479
59.630

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.78
0.78
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85

C
O
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3366
3367
3368
3369
3370
3371
3372
3373
3374
3375
3376
3377
3378
3379
3380
3381
3382
3383
3384
3385
3386
3387
3388
3389
3390
3391
3392
3393
3394
3395
3396
3397
3398
3399
3400
3401
3402
3403
3404
3405
3406
3407
3408
3409
3410
3411
3412
3413
3414
3415
3416
3417
3418
3419
3420
3421
3422
3423
3424
3425

CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE

GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

41
41
41
41
41
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
45
45
45
45
45
46
46
46
46
46
46
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49

85.429
86.696
86.634
85.893
87.364
81.982
80.882
81.305
82.146
79.711
80.394
81.670
80.706
80.895
79.752
79.035
82.265
82.400
82.049
82.955
82.261
83.169
82.825
79.552
78.469
79.069
79.978
77.424
76.235
76.884
78.544
78.877
77.576
76.619
79.794
77.540
76.343
76.619
77.763
75.883
75.584
75.520
75.461
74.513
73.994
74.195
73.219
71.806
71.065
73.208
74.609
74.885
71.489
70.118
69.923
68.788
69.677
69.701
68.609
67.243

9.668
9.871
9.241
8.247
9.763
11.124
11.108
11.913
12.814
11.767
12.811
12.091
11.554
12.261
11.896
10.913
11.949
10.527
10.285
9.516
9.032
8.262
8.021
12.747
12.550
12.479
13.233
13.680
13.462
13.822
11.535
11.377
11.198
10.608
10.166
11.774
11.746
11.036
10.873
13.179
14.200
10.548
10.046
10.946
11.930
10.544
11.259
11.287
12.245
10.480
9.879
9.496
10.260
10.030
10.262
10.388
8.612
8.402
9.180
8.493

61.131
61.966
63.364
63.542
64.227
60.632
59.658
58.428
58.508
60.389
61.265
61.700
57.309
56.032
55.084
55.291
55.406
54.854
53.531
55.629
52.974
55.069
53.743
54.091
53.111
51.702
51.355
53.225
52.281
54.653
50.934
49.509
48.723
49.229
49.337
47.531
46.674
45.347
44.910
46.388
47.878
44.787
43.411
42.596
43.132
41.360
40.511
41.117
40.931
39.195
39.128
40.580
41.907
42.398
43.902
44.353
42.009
40.487
39.741
39.842

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.93
0.93
0.93
0.93
0.93
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76

C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3426
3427
3428
3429
3430
3431
3432
3433
3434
3435
3436
3437
3438
3439
3440
3441
3442
3443
3444
3445
3446
3447
3448
3449
3450
3451
3452
3453
3454
3455
3456
3457
3458
3459
3460
3461
3462
3463
3464
3465
3466
3467
3468
3469
3470
3471
3472
3473
3474
3475
3476
3477
3478
3479
3480
3481
3482
3483
3484
3485

NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1

LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

49
50
50
50
50
50
50
50
50
50
51
51
51
51
51
51
52
52
52
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
54
54
55
55
55
55
55
56
56
56
56
56
56
56

67.270
71.018
70.949
72.311
73.334
70.244
70.969
70.450
69.330
71.222
72.230
73.372
73.183
72.056
73.386
73.574
74.297
74.297
75.203
76.198
74.737
73.902
73.889
73.062
73.339
74.424
72.503
74.808
75.487
76.270
75.677
74.415
74.955
74.214
76.204
75.006
76.238
77.583
78.541
79.161
79.182
79.667
79.176
78.711
79.220
78.284
78.792
78.321
79.638
80.280
80.935
80.745
79.241
81.712
82.411
81.820
82.048
83.904
84.761
84.272

7.181
10.283
10.484
10.686
10.232
9.322
7.972
6.976
7.176
6.043
11.215
11.362
10.390
10.094
12.786
14.094
9.877
8.946
9.487
10.172
7.540
7.040
5.522
4.987
3.910
3.189
3.527
9.168
9.616
8.438
7.450
10.146
10.792
11.068
11.184
11.618
11.705
8.552
7.525
7.896
9.068
7.368
6.768
7.600
5.393
7.049
4.844
5.671
6.867
6.983
5.663
4.623
7.391
5.751
4.607
4.346
5.091
4.926
4.634
5.310

39.178
44.668
46.128
46.795
46.289
46.841
46.766
47.810
48.330
48.105
48.006
48.920
50.089
50.504
49.472
48.209
50.578
51.718
52.820
52.554
51.298
50.116
49.989
51.084
51.812
51.568
52.769
54.038
55.257
55.849
56.289
56.217
57.498
58.567
57.762
59.481
58.985
55.733
56.187
57.534
57.923
55.164
53.848
52.836
53.664
51.635
52.462
51.448
58.224
59.549
59.969
59.335
60.602
61.040
61.649
63.033
63.988
61.769
60.533
59.251

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.89
0.89
0.89
0.89
0.89
0.89
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.83
0.83
0.83
0.83
0.83
0.83
0.83

N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3486
3487
3488
3489
3490
3491
3492
3493
3494
3495
3496
3497
3498
3499
3500
3501
3502
3503
3504
3505
3506
3507
3508
3509
3510
3511
3512
3513
3514
3515
3516
3517
3518
3519
3520
3521
3522
3523
3524
3525
3526
3527
3528
3529
3530
3531
3532
3533
3534
3535
3536
3537
3538
3539
3540
3541
3542
3543
3544
3545

CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
N
CA
C
O

LEU
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
59
59
59
59
60
60
60
60
60
61
61
61
61
61
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
64
64
64
64

86.154
80.863
80.219
81.198
82.013
78.895
78.223
79.077
81.002
81.679
80.873
81.002
81.940
83.310
83.572
84.456
84.892
85.436
79.981
79.110
78.280
78.033
79.985
79.318
78.230
79.802
77.616
79.196
78.099
77.485
77.919
77.114
76.111
76.318
78.032
74.999
73.912
73.655
74.136
72.641
72.960
72.561
71.022
70.355
73.091
72.915
72.601
72.509
72.377
70.500
71.258
71.677
71.057
70.302
68.930
69.066
72.782
73.342
74.299
74.367

5.176
3.432
3.069
2.278
1.505
2.311
2.168
0.923
2.402
1.536
0.264
-0.353
2.316
2.982
4.254
2.354
4.400
3.226
-0.073
-1.260
-1.327
-2.391
-2.510
-3.518
-4.266
-3.667
-5.154
-4.562
-5.301
-6.169
-0.151
0.002
1.144
2.035
0.279
1.043
2.037
2.699
2.232
1.356
3.829
4.582
4.606
4.927
6.014
6.743
8.232
8.802
8.884
4.242
3.704
2.250
1.536
3.834
3.647
4.357
1.878
0.519
0.270
1.069

60.826
63.062
64.337
65.215
64.707
64.124
65.379
63.501
66.519
67.504
67.800
68.855
68.794
68.760
68.472
68.993
68.511
68.841
66.862
66.915
68.217
68.779
66.740
65.812
66.238
64.522
65.371
63.651
64.077
63.235
68.725
69.950
69.764
68.935
71.146
70.477
70.408
71.767
72.803
69.892
71.710
72.909
73.029
72.047
72.819
74.155
73.997
72.921
75.112
74.205
75.350
75.090
74.300
76.534
75.887
74.538
75.733
75.635
76.802
77.736

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.86
0.86
0.86
0.86
0.86
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78

C
N
C
C
O
C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3546
3547
3548
3549
3550
3551
3552
3553
3554
3555
3556
3557
3558
3559
3560
3561
3562
3563
3564
3565
3566
3567
3568
3569
3570
3571
3572
3573
3574
3575
3576
3577
3578
3579
3580
3581
3582
3583
3584
3585
3586
3587
3588
3589
3590
3591
3592
3593
3594
3595
3596
3597
3598
3599
3600
3601
3602
3603
3604
3605

N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA

GLY
GLY
GLY
GLY
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
THR
THR
THR
THR
THR
THR
THR
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

65
65
65
65
66
66
66
66
66
66
66
66
66
66
66
66
67
67
67
67
67
67
67
67
67
67
67
67
68
68
68
68
68
68
68
68
69
69
69
69
70
70
70
70
70
70
70
71
71
71
71
71
71
71
71
71
71
71
72
72

75.076
76.019
77.463
78.243
77.817
79.179
79.843
80.353
79.155
78.577
79.334
77.340
78.857
76.860
77.621
77.121
79.764
80.333
81.855
82.500
79.719
78.215
77.580
77.489
76.229
76.137
75.509
74.183
82.427
83.886
84.522
84.144
84.238
85.692
85.985
86.625
85.476
86.160
85.600
86.325
84.393
83.756
84.588
84.550
82.359
82.461
81.381
85.308
86.163
87.447
88.057
86.466
86.593
86.775
86.817
87.677
88.589
87.690
87.921
89.109

-0.809
-1.211
-1.442
-2.045
-0.911
-1.067
0.291
0.553
-1.957
-3.350
-4.317
-3.679
-5.616
-4.977
-5.947
-7.203
1.183
2.541
2.602
3.465
3.513
3.735
3.518
4.232
3.787
4.510
4.286
4.532
1.707
1.663
1.328
0.358
0.607
0.701
0.577
0.943
2.181
2.010
2.914
3.229
3.446
4.334
5.590
6.131
4.787
5.497
3.607
6.057
7.244
7.011
7.971
7.742
9.259
9.806
11.272
12.072
11.592
13.363
5.763
5.421

76.677
77.740
77.276
78.006
76.107
75.554
75.264
74.177
74.303
74.560
75.209
74.024
75.316
74.132
74.771
74.918
76.251
76.128
76.239
75.659
77.137
76.949
75.726
78.021
75.581
77.877
76.658
76.523
77.036
77.199
75.840
75.189
78.249
78.728
79.903
77.826
75.445
74.150
73.043
72.108
73.225
72.224
71.923
70.827
72.663
73.905
72.705
72.942
72.826
72.005
71.541
74.235
74.203
75.613
75.689
75.059
74.225
75.305
71.960
71.151

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.73
0.73
0.73
0.73
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.74
0.74
0.74
0.74
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.70
0.70

N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
N
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3606
3607
3608
3609
3610
3611
3612
3613
3614
3615
3616
3617
3618
3619
3620
3621
3622
3623
3624
3625
3626
3627
3628
3629
3630
3631
3632
3633
3634
3635
3636
3637
3638
3639
3640
3641
3642
3643
3644
3645
3646
3647
3648
3649
3650
3651
3652
3653
3654
3655
3656
3657
3658
3659
3660
3661
3662
3663
3664
3665

C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ

LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

72
72
72
72
72
72
72
73
73
73
73
73
73
73
73
74
74
74
74
74
74
74
74
74
74
74
75
75
75
75
75
75
75
75
76
76
76
76
76
76
76
76
76
77
77
77
77
77
77
77
77
78
78
78
78
78
78
78
78
78

88.765
87.611
89.854
89.153
90.134
89.459
90.482
89.802
89.630
89.687
89.150
90.685
90.707
89.847
91.611
90.454
90.750
90.496
90.948
92.198
92.348
93.801
94.455
95.295
95.581
95.911
89.844
89.525
88.815
88.348
88.668
87.321
86.561
86.981
88.694
88.083
86.555
85.962
88.471
89.989
90.372
91.886
92.251
85.914
84.459
84.006
82.970
83.779
83.478
82.738
84.735
84.791
84.359
84.046
84.726
85.363
85.537
86.223
85.247
85.550

5.281
5.154
4.188
2.848
1.710
0.351
-0.702
5.213
5.239
3.865
3.698
6.153
7.548
8.369
7.752
2.936
1.663
0.429
0.350
1.670
2.619
2.770
3.789
3.549
2.317
4.550
-0.544
-1.858
-2.759
-2.302
-1.717
-1.041
-1.440
-0.081
-4.025
-5.075
-4.973
-5.768
-6.453
-6.639
-8.006
-8.098
-9.405
-4.052
-3.847
-2.790
-2.983
-3.573
-4.825
-5.908
-5.355
-1.734
-0.595
-0.980
-1.799
0.557
1.175
2.533
3.602
4.877

69.657
69.285
71.683
71.452
71.699
71.541
71.551
68.829
67.361
66.676
65.587
66.727
67.357
66.981
68.199
67.245
66.561
67.419
68.563
66.071
64.881
64.440
65.277
66.281
66.655
66.889
66.793
67.390
66.370
65.327
68.661
68.407
67.534
69.232
66.747
65.906
65.736
65.010
66.450
66.477
67.032
67.208
67.766
66.453
66.328
65.320
64.682
67.677
68.517
67.719
69.206
65.128
64.292
62.842
62.215
64.281
65.667
65.560
65.267
65.014

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76

C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3666
3667
3668
3669
3670
3671
3672
3673
3674
3675
3676
3677
3678
3679
3680
3681
3682
3683
3684
3685
3686
3687
3688
3689
3690
3691
3692
3693
3694
3695
3696
3697
3698
3699
3700
3701
3702
3703
3704
3705
3706
3707
3708
3709
3710
3711
3712
3713
3714
3715
3716
3717
3718
3719
3720
3721
3722
3723
3724
3725

NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C

ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

78
78
79
79
79
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
82
82
82
82
82
82
83
83
83
83
83
83
83
84
84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86

86.806
84.598
82.926
82.411
81.999
81.441
81.207
81.617
82.191
81.353
82.287
81.761
82.214
81.726
80.239
79.869
82.556
82.138
82.500
82.770
79.408
77.942
77.445
78.139
77.207
77.542
77.482
76.214
75.562
74.045
73.482
76.011
75.517
73.440
71.993
71.828
72.756
71.313
71.475
71.809
70.647
70.346
70.377
69.929
68.964
68.626
67.186
66.857
67.726
70.931
70.956
69.532
68.737
71.700
71.875
72.731
72.482
69.237
67.901
67.312

5.291
5.794
-0.437
-0.647
0.664
1.561
-1.594
-3.067
-3.718
-3.958
-4.999
-5.156
0.683
1.740
1.503
0.508
1.711
2.776
4.189
2.471
2.371
2.309
3.485
4.494
2.269
0.975
3.497
3.353
4.436
4.304
3.209
4.472
3.287
5.463
5.637
6.652
7.412
6.119
5.096
7.494
6.706
7.790
9.127
9.204
7.559
8.650
8.532
9.665
9.612
10.150
11.501
12.008
12.203
12.485
13.851
13.743
14.856
12.065
12.461
11.452

64.933
64.926
62.390
61.025
60.352
60.990
61.055
61.084
62.091
60.133
61.755
60.540
59.043
58.142
57.838
57.205
56.853
55.830
56.292
54.472
58.386
58.215
57.372
57.220
59.568
60.309
60.450
56.900
56.147
56.155
56.220
54.688
54.085
56.053
55.851
54.713
54.424
57.150
58.277
57.616
54.116
53.162
53.924
55.074
52.552
51.537
51.046
50.071
48.887
53.283
53.866
54.156
53.242
52.956
53.634
54.901
52.655
55.459
55.951
56.945

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87

N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3726
3727
3728
3729
3730
3731
3732
3733
3734
3735
3736
3737
3738
3739
3740
3741
3742
3743
3744
3745
3746
3747
3748
3749
3750
3751
3752
3753
3754
3755
3756
3757
3758
3759
3760
3761
3762
3763
3764
3765
3766
3767
3768
3769
3770
3771
3772
3773
3774
3775
3776
3777
3778
3779
3780
3781
3782
3783
3784
3785

O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O

GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

86
87
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
89
89
89
89
89
89
89
90
90
90
90
90
90
90
91
91
91
91
91
91
91
92
92
92
92
92
92
92
92
92
93
93
93
93
93
93
93
93
94
94
94
94

66.413
67.842
67.434
68.339
69.526
67.608
66.930
65.403
64.749
63.304
67.746
68.496
69.293
68.701
67.567
66.770
68.330
67.601
70.623
71.526
71.280
71.866
72.940
72.775
71.407
70.372
69.999
70.341
70.468
68.502
67.752
68.110
70.344
70.648
69.976
70.646
70.219
70.431
70.983
68.646
67.839
67.954
67.948
66.369
66.159
64.677
63.823
64.418
67.974
68.094
69.404
69.412
67.927
66.547
66.342
65.565
70.486
71.850
72.108
71.496

11.787
10.234
9.159
9.202
9.534
7.793
7.686
7.793
6.596
6.601
8.897
8.773
7.453
6.389
8.888
10.207
8.720
11.501
7.542
6.374
5.516
5.709
6.961
8.335
8.789
4.565
3.662
2.223
1.931
3.765
3.400
5.152
1.326
-0.114
-0.668
-1.098
-0.942
-2.451
-0.505
-0.601
-1.126
-0.281
-0.824
-1.238
-2.172
-2.432
-1.621
-3.511
1.046
1.965
1.829
1.904
3.424
3.999
5.199
3.141
1.681
1.575
0.269
-0.767

57.720
56.923
57.843
59.076
58.982
57.166
55.793
55.824
56.510
56.261
60.222
61.486
61.457
61.256
62.712
62.702
64.039
62.755
61.601
61.647
62.898
63.966
61.656
61.014
61.515
62.755
63.864
63.483
62.296
64.179
63.020
64.693
64.467
64.264
62.991
62.060
65.494
65.307
66.745
62.989
61.873
60.599
59.501
62.271
63.466
63.756
63.340
64.328
60.762
59.612
58.833
57.606
60.042
59.714
59.692
59.511
59.583
59.041
58.285
58.543

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87
0.87
0.87

O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3786
3787
3788
3789
3790
3791
3792
3793
3794
3795
3796
3797
3798
3799
3800
3801
3802
3803
3804
3805
3806
3807
3808
3809
3810
3811
3812
3813
3814
3815
3816
3817
3818
3819
3820
3821
3822
3823
3824
3825
3826
3827
3828
3829
3830
3831
3832
3833
3834
3835
3836
3837
3838
3839
3840
3841
3842
3843
3844
3845

CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3

SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

94
94
95
95
95
95
95
95
95
95
96
96
96
96
96
96
96
96
96
96
96
97
97
97
97
97
97
97
97
97
97
98
98
98
98
98
98
98
98
99
99
99
99
99
100
100
100
100
100
101
101
101
101
101
101
101
101
101
101
101

72.866
72.721
73.021
73.569
75.079
75.805
73.251
73.805
73.758
72.968
75.500
76.927
77.627
77.258
77.071
76.601
75.251
77.531
74.834
77.113
75.765
78.640
79.352
80.559
80.804
79.795
78.588
77.873
78.178
77.005
77.226
81.332
82.541
83.169
82.899
83.587
84.266
85.500
84.434
84.008
84.844
85.916
86.563
85.514
86.054
87.015
86.981
85.908
86.688
88.161
88.338
88.917
89.372
89.175
90.383
90.480
91.586
91.691
92.393
92.063

1.710
3.008
0.397
-0.712
-0.804
0.184
-0.502
-1.613
0.819
-2.886
-1.937
-2.192
-2.620
-3.626
-3.261
-2.752
-2.521
-2.567
-2.101
-2.152
-1.919
-1.848
-2.067
-2.996
-3.811
-0.745
0.026
-0.286
1.202
0.696
1.608
-2.821
-3.619
-3.188
-2.086
-3.490
-2.120
-1.994
-1.319
-4.065
-3.749
-2.732
-2.893
-5.022
-1.679
-0.587
0.448
0.814
0.148
0.951
2.063
3.329
4.265
1.606
0.749
-0.560
1.181
-0.974
0.059
2.419

60.172
60.759
57.336
56.532
56.800
56.635
55.031
54.137
54.456
54.190
57.331
57.602
56.309
55.703
58.689
60.055
60.303
61.069
61.557
62.328
62.573
55.935
54.659
54.775
53.893
54.032
53.517
52.444
53.978
52.230
53.159
55.845
56.119
57.448
57.947
54.991
54.921
53.582
52.334
57.981
59.155
58.750
57.713
59.671
59.547
59.290
60.414
60.898
57.984
60.734
61.693
61.036
61.689
62.894
62.505
62.713
61.967
62.343
61.883
61.548

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84

C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3846
3847
3848
3849
3850
3851
3852
3853
3854
3855
3856
3857
3858
3859
3860
3861
3862
3863
3864
3865
3866
3867
3868
3869
3870
3871
3872
3873
3874
3875
3876
3877
3878
3879
3880
3881
3882
3883
3884
3885
3886
3887
3888
3889
3890
3891
3892
3893
3894
3895
3896
3897
3898
3899
3900
3901
3902
3903
3904
3905

CZ2
CZ3
CH2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE

TRP
TRP
TRP
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

101
101
101
102
102
102
102
102
102
103
103
103
103
104
104
104
104
104
104
105
105
105
105
105
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
108
109
109
109
109
110
110
110
110
110
110
110
110

93.680
93.345
94.152
88.746
89.108
88.458
88.512
90.633
90.991
87.862
87.083
86.853
87.161
86.422
86.082
85.047
84.779
87.346
87.048
84.399
83.386
83.022
83.172
82.106
82.630
82.225
81.542
81.860
83.416
84.877
80.656
79.880
80.467
80.605
78.427
77.481
77.200
76.737
76.283
76.002
80.707
81.341
80.358
80.757
82.288
81.597
80.378
82.325
79.067
77.977
77.181
76.011
77.801
77.197
76.937
75.792
78.044
78.130
78.388
78.360

0.166
2.526
1.399
3.383
4.505
4.186
3.034
4.591
5.664
5.201
4.949
6.172
7.312
5.831
6.760
6.045
4.855
7.068
7.917
6.793
6.257
7.309
8.507
5.848
6.825
7.677
6.871
5.702
8.399
7.388
7.564
6.968
7.483
8.687
7.407
6.603
6.859
5.575
5.985
5.192
6.551
6.861
7.164
7.329
5.715
4.359
4.250
3.413
7.133
7.304
6.008
6.051
4.885
3.554
2.814
2.512
2.726
3.476
2.536
3.345

61.371
61.027
60.938
59.717
58.831
57.483
57.044
58.669
57.791
56.849
55.624
54.739
55.086
53.540
52.446
51.572
51.770
51.633
50.522
50.693
49.765
48.723
48.961
50.505
47.556
46.427
45.334
45.110
45.803
45.360
44.642
43.552
42.235
42.019
43.732
42.845
41.573
43.232
41.171
42.194
41.331
40.027
38.879
37.730
39.652
39.461
39.743
39.115
39.218
38.236
38.017
37.656
38.383
38.192
39.509
39.829
37.220
35.891
34.728
33.500

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.88
0.88
0.88
0.88
0.88
0.88
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.95
0.95
0.95
0.95
0.95
0.94
0.94
0.94
0.94
0.94
0.94
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80

C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3906
3907
3908
3909
3910
3911
3912
3913
3914
3915
3916
3917
3918
3919
3920
3921
3922
3923
3924
3925
3926
3927
3928
3929
3930
3931
3932
3933
3934
3935
3936
3937
3938
3939
3940
3941
3942
3943
3944
3945
3946
3947
3948
3949
3950
3951
3952
3953
3954
3955
3956
3957
3958
3959
3960
3961
3962
3963
3964
3965

CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C

ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
VAL
VAL
VAL

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
112
112
112
112
112
112
112
112
112
113
113
113
113
113
113
113
114
114
114
114
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
117
117
117

78.952
79.603
78.904
78.008
77.912
78.668
79.335
78.421
77.302
76.401
76.891
75.285
78.581
79.348
80.663
80.751
78.550
77.433
76.140
77.559
75.442
76.276
78.653
76.078
78.455
77.169
81.665
82.981
83.090
83.106
84.123
84.051
85.515
83.149
83.348
84.801
85.365
82.435
81.010
80.068
80.668
78.772
79.370
78.420
77.151
85.406
86.797
86.741
85.979
87.688
87.545
89.162
87.932
87.654
87.751
89.141
89.813
89.610
90.946
90.782

3.023
1.876
3.847
2.526
1.925
2.752
3.743
0.474
-0.528
-0.077
-0.096
0.389
2.295
2.868
2.111
0.892
2.791
3.828
3.616
5.104
4.695
5.624
5.855
6.910
7.145
7.667
2.894
2.390
2.729
3.908
3.064
2.710
2.705
1.682
1.828
1.464
0.539
0.879
0.840
1.765
-0.146
1.695
-0.219
0.695
0.627
2.278
2.074
1.876
2.551
3.281
3.705
3.031
2.640
1.029
0.709
0.183
-0.398
0.571
0.183
-0.482

32.353
32.228
31.316
40.242
41.578
42.625
42.294
41.564
41.884
43.044
44.197
42.742
43.867
44.979
45.173
44.996
46.280
46.366
46.133
46.885
46.487
46.947
47.298
47.421
47.763
47.821
45.529
45.954
47.438
47.808
45.172
43.789
45.703
48.237
49.687
49.985
49.384
50.466
49.926
50.349
49.011
49.860
48.536
48.965
48.486
50.830
51.267
52.783
53.479
50.898
49.424
51.264
48.387
53.248
54.677
55.004
54.154
56.174
56.653
58.019

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.92
0.92
0.92
0.92
0.85
0.85
0.85

C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

3966
3967
3968
3969
3970
3971
3972
3973
3974
3975
3976
3977
3978
3979
3980
3981
3982
3983
3984
3985
3986
3987
3988
3989
3990
3991
3992
3993
3994
3995
3996
3997
3998
3999
4000
4001
4002
4003
4004
4005
4006
4007
4008
4009
4010
4011
4012
4013
4014
4015
4016
4017
4018
4019
4020
4021
4022
4023
4024
4025

O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2

VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
122
122
123
123
123
123
123
123
123
123
124
124
124
124
124
125
125
125
125
125
125
125
125

90.045
91.882
93.311
91.932
91.518
91.557
92.743
93.393
90.229
90.000
90.511
89.494
92.946
94.070
94.937
94.542
96.109
97.057
97.602
97.736
98.149
98.158
96.682
97.981
98.570
99.852
99.991
98.892
97.639
96.612
97.748
100.704
101.999
101.857
102.869
102.907
102.505
101.466
103.249
100.623
100.351
98.846
98.266
100.995
101.192
101.244
101.438
98.244
96.823
96.649
97.629
96.315
95.396
95.044
93.865
92.872
94.706
94.419
95.655
93.976

0.001
1.404
0.991
2.200
-1.566
-2.333
-3.299
-3.485
-3.080
-4.282
-4.242
-5.292
-3.921
-4.834
-4.304
-3.341
-4.909
-4.458
-3.071
-2.732
-5.529
-6.048
-6.023
-2.298
-0.959
-0.987
-0.232
-0.235
0.278
0.418
0.446
-1.954
-2.124
-2.673
-2.943
-3.017
-4.494
-4.901
-5.250
-2.995
-3.587
-3.659
-4.734
-4.983
-5.517
-4.682
-6.737
-2.481
-2.350
-2.587
-2.717
-0.970
-2.602
-2.894
-2.039
-1.887
-4.387
-4.884
-4.790
-6.339

58.882
56.746
57.113
55.438
58.186
59.441
59.409
58.380
59.683
58.760
57.621
59.294
60.566
60.780
61.931
62.603
62.140
63.174
62.810
61.637
63.177
61.740
61.351
63.823
63.595
62.765
61.805
64.902
65.603
64.902
66.836
63.095
62.416
60.986
60.336
63.275
63.220
63.722
62.442
60.575
59.256
58.935
58.801
59.223
57.806
56.873
57.717
58.817
58.440
56.930
56.189
58.866
56.494
55.098
54.624
55.340
55.016
53.598
52.708
53.664

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.81
0.81
0.81
0.81
0.81
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83

O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4026
4027
4028
4029
4030
4031
4032
4033
4034
4035
4036
4037
4038
4039
4040
4041
4042
4043
4044
4045
4046
4047
4048
4049
4050
4051
4052
4053
4054
4055
4056
4057
4058
4059
4060
4061
4062
4063
4064
4065
4066
4067
4068
4069
4070
4071
4072
4073
4074
4075
4076
4077
4078
4079
4080
4081
4082
4083
4084
4085

N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA

VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

126
126
126
126
126
126
126
127
127
127
127
127
127
127
127
127
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
130
130
130
130
131
131
131
131
132
132
132
132
132
132
132
132
132
133
133

94.008
92.946
92.132
92.629
93.546
92.521
94.148
90.870
89.932
88.972
88.401
89.134
90.046
89.257
88.417
87.734
88.852
87.993
86.871
87.114
88.814
89.921
87.893
90.880
85.673
84.439
83.694
83.426
83.610
82.344
81.592
80.351
79.644
83.329
82.563
81.110
80.768
83.183
82.790
82.984
82.213
82.607
81.833
82.033
81.709
80.304
78.876
78.702
78.994
78.430
78.191
79.454
79.490
77.107
76.476
75.537
74.694
75.512
80.433
81.608

-1.528
-0.778
-1.779
-2.316
0.329
0.980
1.445
-1.910
-2.803
-1.977
-0.974
-3.626
-4.438
-5.263
-4.385
-5.210
-2.418
-1.781
-2.761
-3.917
-1.362
-0.380
-0.733
0.024
-2.199
-2.937
-2.215
-1.010
-2.978
-3.827
-3.816
-4.704
-4.711
-2.980
-2.455
-2.924
-4.057
-2.866
-1.878
-0.519
-2.320
0.406
-1.393
-0.038
0.844
-2.044
-2.311
-3.432
-3.245
-4.632
-5.808
-6.655
-7.452
-6.676
-7.668
-6.991
-6.191
-7.470
-6.547
-7.436

53.407
52.706
51.879
50.890
51.812
50.872
52.664
52.228
51.528
50.674
51.119
52.537
53.464
54.480
55.411
56.411
49.434
48.424
48.066
47.700
47.188
47.608
46.128
46.488
48.047
47.740
46.612
46.706
49.026
48.916
50.244
50.166
51.452
45.593
44.454
44.531
44.174
43.118
42.023
42.247
40.840
41.293
39.881
40.108
39.135
45.130
45.378
46.412
47.585
45.913
46.774
47.026
47.964
46.127
47.113
48.118
47.656
49.272
46.131
46.139

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87

N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4086
4087
4088
4089
4090
4091
4092
4093
4094
4095
4096
4097
4098
4099
4100
4101
4102
4103
4104
4105
4106
4107
4108
4109
4110
4111
4112
4113
4114
4115
4116
4117
4118
4119
4120
4121
4122
4123
4124
4125
4126
4127
4128
4129
4130
4131
4132
4133
4134
4135
4136
4137
4138
4139
4140
4141
4142
4143
4144
4145

C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N

ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

133
133
133
134
134
134
134
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
137
138
138
138
138
138
138
138
138
138
138
138
138
139
139
139
139
139
139
139
139
139
139
140

82.881
83.173
81.842
83.662
85.012
85.992
86.148
85.410
84.570
83.329
85.023
82.533
84.233
82.983
82.207
86.597
87.343
88.867
89.544
86.847
86.847
85.456
89.409
90.863
91.286
90.450
91.288
92.731
93.479
93.078
92.565
93.218
94.542
95.028
93.471
94.353
92.160
95.092
96.366
97.050
96.436
96.058
97.317
98.117
97.621
99.214
98.711
99.494
100.372
98.311
99.078
99.809
100.041
100.086
99.384
99.110
98.946
98.501
98.397
100.143

-6.752
-5.611
-7.957
-7.523
-7.131
-7.369
-8.487
-7.957
-7.587
-8.181
-6.626
-7.803
-6.248
-6.833
-6.498
-6.280
-6.262
-6.204
-6.770
-5.127
-3.890
-5.450
-5.534
-5.306
-4.729
-4.268
-4.334
-4.539
-5.303
-3.849
-4.899
-4.404
-3.706
-3.765
-5.548
-6.515
-6.173
-3.033
-2.304
-2.308
-1.933
-0.869
-0.133
0.494
-0.041
1.223
0.697
1.339
2.283
-2.719
-2.909
-1.662
-0.694
-4.052
-5.386
-5.925
-6.203
-7.072
-7.251
-1.737

46.640
46.288
44.720
47.384
47.827
46.676
46.187
49.050
50.271
50.459
51.165
51.528
52.240
52.414
53.473
46.239
44.962
45.045
44.187
44.064
44.787
43.518
46.063
46.135
47.487
48.265
45.023
44.545
45.199
43.563
47.774
48.995
48.663
47.531
49.981
49.402
50.458
49.664
49.558
50.929
51.931
49.126
48.681
49.626
47.329
49.210
46.909
47.859
47.482
50.936
52.183
52.680
51.952
52.044
51.837
50.654
52.793
50.884
52.198
53.962

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81

C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
N
C
C
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4146
4147
4148
4149
4150
4151
4152
4153
4154
4155
4156
4157
4158
4159
4160
4161
4162
4163
4164
4165
4166
4167
4168
4169
4170
4171
4172
4173
4174
4175
4176
4177
4178
4179
4180
4181
4182
4183
4184
4185
4186
4187
4188
4189
4190
4191
4192
4193
4194
4195
4196
4197
4198
4199
4200
4201
4202
4203
4204
4205

CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O

SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

140
140
140
140
140
141
141
141
141
141
141
141
141
141
141
141
141
142
142
142
142
142
143
143
143
143
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145
145
145
145
145
145
145
145
146
146
146
146
146
146
146
146
147
147
147
147

100.934
102.359
103.089
100.960
101.742
102.744
104.085
105.079
106.289
103.971
103.167
103.789
101.823
103.071
101.099
101.726
101.003
104.535
105.340
105.110
105.574
105.054
104.312
104.023
103.647
103.884
105.166
105.138
104.377
105.835
104.595
105.501
103.044
102.531
101.149
101.027
103.503
103.070
103.571
102.066
100.140
98.712
98.395
98.352
98.292
98.436
96.858
98.260
98.194
97.652
96.234
95.466
97.662
97.107
97.842
97.228
95.954
94.688
94.341
95.177

-0.726
-0.656
-1.641
-1.139
-0.220
0.548
0.812
1.409
1.281
1.706
2.988
4.139
3.013
5.322
4.192
5.346
6.481
2.080
2.691
2.029
2.526
4.196
0.960
0.120
0.846
0.343
-0.880
-1.959
-3.049
-1.966
-3.729
-3.063
2.024
2.754
3.337
4.394
3.850
4.363
3.956
5.212
2.574
2.943
3.463
4.652
3.942
3.267
4.479
4.220
2.532
2.891
3.455
2.925
1.632
1.828
2.931
0.500
4.560
5.300
6.118
6.298

54.677
54.104
54.104
56.149
56.903
53.700
53.136
54.143
53.995
51.898
52.137
52.603
51.793
52.709
51.904
52.358
52.518
55.155
56.230
57.599
58.623
56.285
57.604
58.785
60.088
61.185
58.997
57.918
57.945
56.786
56.827
56.114
59.959
61.125
60.831
60.208
61.576
62.952
63.989
62.977
61.229
61.105
59.692
59.416
62.209
63.581
62.015
64.767
58.778
57.459
57.657
58.461
56.593
55.180
54.408
54.435
56.984
57.155
55.908
55.014

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.81
0.81
0.81
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82

C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4206
4207
4208
4209
4210
4211
4212
4213
4214
4215
4216
4217
4218
4219
4220
4221
4222
4223
4224
4225
4226
4227
4228
4229
4230
4231
4232
4233
4234
4235
4236
4237
4238
4239
4240
4241
4242
4243
4244
4245
4246
4247
4248
4249
4250
4251
4252
4253
4254
4255
4256
4257
4258
4259
4260
4261
4262
4263
4264
4265

CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C

ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

147
147
147
147
147
147
147
148
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
150
151
151
151
151
151
151
152
152
152
152
152
153
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155

94.746
95.948
96.037
97.174
98.479
98.922
99.378
93.074
92.532
91.879
91.899
91.636
91.154
90.444
91.164
90.583
89.641
89.982
89.844
90.832
90.134
90.540
89.106
88.616
87.524
86.460
85.704
88.017
89.208
88.879
87.815
89.732
86.426
85.477
85.551
86.427
85.766
87.082
84.581
84.377
85.600
86.360
83.184
85.789
86.729
86.066
84.859
87.232
85.982
86.874
86.332
86.566
87.697
86.987
86.754
87.550
85.659
85.475
85.500
85.195

6.169
7.115
7.830
8.770
8.483
7.248
9.449
6.490
7.167
8.521
8.990
6.178
6.764
5.679
9.044
10.387
10.703
11.612
10.635
10.756
11.157
10.753
11.973
9.868
10.110
11.065
11.719
10.622
9.824
8.365
7.846
7.754
11.089
11.834
11.260
10.445
13.341
13.639
11.641
11.047
11.127
12.097
11.728
10.038
9.986
10.597
10.821
8.551
7.213
11.017
11.703
10.873
10.486
13.080
13.950
13.969
14.681
10.617
9.823
10.726

58.423
58.462
59.810
59.842
59.830
59.763
59.949
55.821
54.624
54.946
56.086
53.840
52.628
54.653
53.959
53.938
55.090
55.833
52.636
51.477
50.179
49.095
50.288
55.305
56.288
55.720
56.435
57.659
58.204
58.516
58.100
59.180
54.393
53.553
52.137
51.836
53.542
53.062
51.317
49.986
49.060
49.065
49.314
48.329
47.195
45.947
45.909
46.988
47.065
44.985
43.798
42.536
42.242
43.671
44.906
45.829
44.922
41.824
40.582
39.381

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.92
0.92
0.92
0.92
0.92
0.98
0.98
0.98
0.98
0.98
0.98
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94

C
C
C
N
C
N
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
O
N
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4266
4267
4268
4269
4270
4271
4272
4273
4274
4275
4276
4277
4278
4279
4280
4281
4282
4283
4284
4285
4286
4287
4288
4289
4290
4291
4292
4293
4294
4295
4296
4297
4298
4299
4300
4301
4302
4303
4304
4305
4306
4307
4308
4309
4310
4311
4312
4313
4314
4315
4316
4317
4318
4319
4320
4321
4322
4323
4324
4325

O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD

CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

155
155
155
156
156
156
156
156
156
156
156
157
157
157
157
158
158
158
158
159
159
159
159
159
159
159
159
160
160
160
160
160
160
161
161
161
161
161
161
161
161
161
161
161
161
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163

84.271
84.430
84.482
85.974
85.860
85.965
86.946
86.920
86.697
88.356
87.629
84.851
84.798
85.114
85.654
84.861
85.034
86.303
86.467
87.092
88.324
88.161
87.872
89.522
89.840
90.021
89.860
88.264
88.165
89.575
90.395
87.328
85.664
89.814
91.095
90.862
89.779
91.672
92.035
91.053
93.349
91.385
93.684
92.699
92.993
91.874
91.806
93.180
94.135
91.301
91.445
90.563
91.153
93.222
94.430
94.461
93.476
94.432
95.752
95.560

11.541
8.732
7.667
10.536
11.284
10.333
9.597
12.399
13.232
11.856
14.436
10.222
9.385
7.899
7.223
7.466
6.056
5.762
4.653
6.804
6.687
7.473
8.671
7.253
6.460
5.229
7.104
6.756
7.364
7.512
6.599
6.464
6.072
8.653
8.941
8.973
9.336
10.271
10.213
10.415
9.978
10.373
9.947
10.137
10.022
8.513
8.322
8.537
7.846
6.897
6.466
7.307
4.974
9.449
9.647
8.591
8.373
11.050
11.345
11.814

39.429
40.644
42.129
38.329
37.060
35.861
35.729
36.977
35.703
37.127
35.548
35.135
33.918
34.159
33.290
35.405
35.801
36.610
37.111
36.870
37.667
38.963
38.938
36.900
35.634
35.759
34.563
40.066
41.403
41.978
41.891
42.314
41.657
42.595
43.261
44.768
45.237
42.770
41.284
40.320
40.897
38.975
39.550
38.590
37.272
45.484
46.938
47.571
47.224
47.218
48.682
49.605
48.816
48.529
49.344
50.455
51.167
49.954
50.675
52.436

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.94
0.94
0.94
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.96
0.96
0.96
0.96
0.96
0.96
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.90
0.90

O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4326
4327
4328
4329
4330
4331
4332
4333
4334
4335
4336
4337
4338
4339
4340
4341
4342
4343
4344
4345
4346
4347
4348
4349
4350
4351
4352
4353
4354
4355
4356
4357
4358
4359
4360
4361
4362
4363
4364
4365
4366
4367
4368
4369
4370
4371
4372
4373
4374
4375
4376
4377
4378
4379
4380
4381
4382
4383
4384
4385

CE
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C

MET
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
168
168
168
168
168
168
169
169
169
169
169
170
170
170
170
170
170
171
171
171
171
172
172
172
172
172
172
172
172
173
173
173

95.112
95.626
95.977
97.279
98.079
96.154
97.282
94.809
97.675
97.450
98.690
99.106
98.266
98.530
99.815
97.729
100.405
100.987
102.161
103.007
101.449
101.632
101.890
101.709
102.187
103.274
102.801
101.633
103.780
103.559
102.664
102.914
104.908
104.728
101.758
100.886
101.713
101.432
99.842
102.830
103.756
105.133
106.169
103.886
102.600
105.099
106.329
106.036
105.199
106.765
106.619
105.426
105.310
107.943
109.087
107.797
108.873
104.624
103.472
103.284

10.304
7.992
7.065
7.583
8.222
5.631
5.558
5.103
4.145
7.374
7.794
6.765
6.137
9.212
9.805
9.272
6.561
5.655
6.368
6.949
4.418
3.209
3.355
2.123
6.266
6.860
7.301
7.167
7.729
8.199
9.445
10.393
8.530
9.003
9.482
10.656
11.880
13.015
10.326
11.590
12.604
12.493
12.357
12.413
12.436
12.435
12.295
12.353
13.124
11.528
11.443
10.557
9.411
10.963
11.967
10.624
13.366
11.110
10.410
10.866

53.257
50.591
51.684
52.305
51.614
51.153
50.106
50.624
49.679
53.597
54.269
55.315
55.970
54.846
55.026
56.150
55.388
56.374
57.040
56.353
55.618
56.519
57.730
55.914
58.364
59.156
60.537
60.899
61.320
62.701
62.706
61.964
63.348
64.687
63.681
63.905
64.340
63.967
64.975
65.002
65.538
64.860
65.512
67.054
67.676
63.524
62.723
61.226
60.761
60.491
59.027
58.639
59.079
58.404
58.633
56.918
58.035
57.739
57.132
55.682

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.83
0.83
0.83

C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4386
4387
4388
4389
4390
4391
4392
4393
4394
4395
4396
4397
4398
4399
4400
4401
4402
4403
4404
4405
4406
4407
4408
4409
4410
4411
4412
4413
4414
4415
4416
4417
4418
4419
4420
4421
4422
4423
4424
4425
4426
4427
4428
4429
4430
4431
4432
4433
4434
4435
4436
4437
4438
4439
4440
4441
4442
4443
4444
4445

O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C

SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

173
173
173
174
174
174
174
174
174
174
174
174
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
179
179
179
179
179
179
179
179
179
180
180
180

102.571
102.179
102.313
104.056
103.947
102.704
102.552
105.170
106.463
107.666
108.966
108.941
101.786
100.553
100.821
101.744
99.455
99.713
99.979
99.896
98.436
97.515
100.354
101.806
102.081
103.405
103.753
102.892
104.977
98.252
96.915
96.778
97.750
96.670
96.261
97.216
94.919
96.822
94.527
95.480
95.582
95.241
94.223
93.268
94.651
95.616
94.896
96.865
94.467
93.503
92.793
93.349
94.165
93.065
93.191
94.466
94.372
91.704
90.822
89.958

11.837
10.696
10.318
10.257
10.556
9.868
8.646
10.081
10.675
10.196
10.440
9.685
10.695
10.202
9.807
10.314
11.269
12.662
8.916
8.546
8.649
8.600
7.106
6.853
5.388
4.957
3.682
2.706
3.351
8.779
8.715
7.439
6.930
9.949
11.150
11.903
11.501
13.004
12.609
13.358
6.889
5.692
6.057
6.789
4.623
4.036
2.954
3.453
5.540
5.686
4.342
3.371
6.099
6.643
6.228
6.727
6.495
4.245
3.064
3.155

55.404
57.904
59.271
54.788
53.346
52.780
52.890
52.558
53.107
52.295
53.061
54.321
52.303
51.669
50.214
49.571
51.714
50.555
49.733
48.312
47.871
48.689
48.089
48.487
48.182
48.663
48.829
48.598
49.220
46.570
45.964
45.140
44.577
45.097
45.951
46.626
46.018
47.376
46.759
47.440
45.172
44.398
43.327
43.598
45.320
46.353
47.162
45.687
42.134
41.037
40.868
40.342
39.725
38.808
37.343
36.667
35.222
41.602
41.596
40.332

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.85
0.85
0.85

O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4446
4447
4448
4449
4450
4451
4452
4453
4454
4455
4456
4457
4458
4459
4460
4461
4462
4463
4464
4465
4466
4467
4468
4469
4470
4471
4472
4473
4474
4475
4476
4477
4478
4479
4480
4481
4482
4483
4484
4485
4486
4487
4488
4489
4490
4491
4492
4493
4494
4495
4496
4497
4498
4499
4500
4501
4502
4503
4504
4505

O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O

ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

180
180
180
180
180
181
181
181
181
181
181
181
181
181
181
181
182
182
182
182
182
182
182
182
182
183
183
183
183
184
184
184
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
186
186
187
187
187
187

89.632
89.893
90.478
89.440
91.762
89.519
88.577
87.794
88.346
89.279
88.223
88.822
87.701
87.321
87.944
86.289
86.512
85.523
85.873
85.761
85.476
84.170
83.899
84.499
83.139
86.408
86.785
88.285
88.843
88.963
90.378
91.308
91.012
90.577
89.680
89.449
88.144
87.890
88.847
86.651
92.348
93.428
94.167
94.514
94.421
93.673
95.452
94.516
94.439
95.130
96.387
97.027
94.162
93.632
93.039
92.834
96.687
97.832
97.960
96.979

4.248
3.026
3.668
1.581
3.015
1.999
1.923
0.620
-0.475
2.043
2.113
2.344
2.564
3.740
4.859
3.823
0.796
-0.301
-1.359
-2.565
-0.862
-1.548
-1.267
-1.964
-0.312
-0.844
-1.668
-2.000
-2.153
-2.010
-2.424
-1.234
-0.316
-3.472
-4.671
-5.532
-6.176
-7.280
-7.993
-7.600
-1.216
-0.210
-0.441
-1.576
-0.386
-0.440
0.756
-0.884
0.648
0.551
1.427
1.479
0.810
2.254
-0.244
2.645
2.153
3.077
3.711
4.153

39.856
42.828
44.103
43.096
44.626
39.866
38.741
38.816
38.715
37.384
36.280
34.900
33.968
33.467
33.791
32.640
39.135
39.158
40.228
40.020
37.728
37.361
35.885
35.039
35.632
41.347
42.509
42.596
43.680
41.457
41.426
41.210
40.441
40.332
40.630
39.393
39.579
40.285
40.864
40.552
42.030
41.960
40.635
40.307
43.122
44.460
43.120
45.656
39.935
38.631
38.536
37.487
37.458
37.465
37.452
36.217
39.619
39.689
41.077
41.681

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.91
0.91
0.91
0.91
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.83
0.83
0.83
0.83

O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4506
4507
4508
4509
4510
4511
4512
4513
4514
4515
4516
4517
4518
4519
4520
4521
4522
4523
4524
4525
4526
4527
4528
4529
4530
4531
4532
4533
4534
4535
4536
4537
4538
4539
4540
4541
4542
4543
4544
4545
4546
4547
4548
4549
4550
4551
4552
4553
4554
4555
4556
4557
4558
4559
4560
4561
4562
4563
4564
4565

CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N

LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

187
187
187
187
187
188
188
188
188
188
188
188
188
188
189
189
189
189
189
189
189
189
190
190
190
190
190
190
190
190
191
191
191
191
191
191
191
192
192
192
192
192
192
192
193
193
193
193
194
194
194
194
194
194
194
194
194
194
194
195

97.638
98.876
98.674
98.710
97.559
99.215
99.646
100.234
100.859
100.754
100.304
101.527
102.031
101.936
100.046
100.505
101.311
100.725
99.318
98.614
99.770
97.274
102.619
103.607
103.758
104.279
104.950
104.979
103.977
106.382
103.120
103.155
104.591
105.423
102.328
101.330
102.205
104.808
106.031
105.775
104.637
106.351
107.402
106.712
106.871
106.779
107.079
107.941
106.317
106.478
105.641
104.510
106.050
106.624
105.559
104.759
104.481
104.912
103.823
106.269

4.206
5.090
6.157
5.603
4.740
3.779
4.522
5.861
5.949
3.750
2.384
1.608
1.984
0.673
6.879
8.247
8.766
9.071
9.170
8.663
10.635
9.344
8.759
9.263
10.783
11.239
8.544
7.099
6.153
6.534
11.544
13.014
13.537
13.000
13.438
12.296
11.081
14.626
15.453
16.654
17.022
15.857
15.020
17.320
17.286
18.557
18.349
17.547
19.052
19.009
17.857
18.034
20.353
20.516
21.006
19.880
19.664
20.486
18.577
16.693

38.674
38.500
37.421
35.990
35.680
41.496
42.693
42.236
41.178
43.404
43.917
44.402
45.477
43.687
43.060
42.758
43.948
44.991
42.413
41.143
42.252
40.843
43.758
44.731
44.571
43.548
44.557
45.087
44.413
44.880
45.469
45.448
45.561
46.293
46.663
46.823
46.531
44.844
44.849
45.777
46.035
43.389
42.910
43.086
46.213
46.957
48.440
48.806
49.266
50.730
51.311
51.773
51.319
52.725
53.698
54.209
55.495
56.445
55.844
51.375

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.77

C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4566
4567
4568
4569
4570
4571
4572
4573
4574
4575
4576
4577
4578
4579
4580
4581
4582
4583
4584
4585
4586
4587
4588
4589
4590
4591
4592
4593
4594
4595
4596
4597
4598
4599
4600
4601
4602
4603
4604
4605
4606
4607
4608
4609
4610
4611
4612
4613
4614
4615
4616
4617
4618
4619
4620
4621
4622
4623
4624
4625

CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O

VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
199
200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
202
202
202
202

105.554
105.866
105.604
105.823
105.364
107.295
106.365
106.758
105.599
105.800
107.676
107.165
108.227
108.472
108.823
104.399
103.196
101.923
101.682
103.285
102.326
102.671
101.008
101.576
100.541
101.091
99.836
98.822
99.029
100.089
101.318
98.954
97.839
96.764
95.370
95.240
96.964
96.912
96.863
97.288
96.277
94.360
92.932
92.578
92.042
92.527
92.733
92.231
92.161
91.837
93.038
92.765
91.265
90.560
93.530
95.341
90.846
89.471
89.592
90.056

15.440
14.874
13.703
14.377
14.845
13.937
15.714
15.249
14.777
13.938
16.242
17.682
18.597
18.437
19.367
15.303
14.890
15.436
16.642
15.378
14.617
13.927
14.505
13.380
13.762
14.500
14.827
13.710
12.566
14.929
15.610
15.682
14.007
13.049
13.664
14.874
12.443
13.448
12.745
11.574
13.330
12.796
13.186
14.287
15.344
13.627
12.550
13.012
14.242
12.113
14.079
15.031
15.118
14.107
14.646
14.884
16.350
16.683
17.187
18.303

51.709
53.107
53.378
50.623
49.237
50.579
54.007
55.356
56.247
57.127
56.078
56.067
55.461
54.242
56.240
56.002
56.745
56.084
56.081
58.198
59.110
60.190
58.961
60.701
59.950
55.648
54.939
55.200
54.779
53.426
53.152
52.733
56.031
56.351
56.240
56.098
57.741
58.898
60.258
60.336
61.180
56.242
56.268
55.250
55.583
57.678
58.745
60.115
60.335
60.892
54.019
52.931
52.626
52.566
51.666
51.775
52.385
51.963
50.523
50.289

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.77
0.77
0.77
0.77
0.77
0.77
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.87
0.87
0.87
0.87

C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4626
4627
4628
4629
4630
4631
4632
4633
4634
4635
4636
4637
4638
4639
4640
4641
4642
4643
4644
4645
4646
4647
4648
4649
4650
4651
4652
4653
4654
4655
4656
4657
4658
4659
4660
4661
4662
4663
4664
4665
4666
4667
4668
4669
4670
4671
4672
4673
4674
4675
4676
4677
4678
4679
4680
4681
4682
4683
4684
4685

CB
OG1
CG2
N
CA
C
O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N

THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ILE

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

202
202
202
203
203
203
203
203
203
204
204
204
204
205
205
205
205
205
205
205
205
205
205
205
206
206
206
206
206
207
207
207
207
207
207
208
208
208
208
208
208
208
208
209
209
209
209
209
209
209
209
209
210
210
210
210
210
210
210
211

88.867
88.861
87.429
89.297
89.548
88.259
87.167
90.283
91.839
88.449
87.372
87.954
89.162
87.084
87.451
87.358
86.283
86.555
86.872
87.912
86.075
88.167
86.325
87.375
88.516
88.581
88.107
87.657
90.013
88.256
87.898
87.990
88.398
88.882
90.204
87.779
87.987
89.459
89.780
87.417
85.901
85.317
85.242
90.344
91.786
92.509
93.527
92.319
93.549
94.827
95.287
96.395
91.939
92.618
91.668
90.627
93.314
94.177
94.168
92.194

17.773
17.324
18.127
16.289
16.520
16.766
16.336
15.304
14.874
17.471
17.822
18.266
18.494
18.289
18.713
20.232
20.811
18.045
16.561
16.183
15.596
14.838
14.252
13.871
20.857
22.278
22.447
23.514
22.795
21.361
21.248
19.768
18.924
22.085
21.533
19.511
18.171
17.736
16.557
18.100
17.894
17.270
18.360
18.722
18.499
18.310
17.619
19.695
19.322
20.077
19.742
20.584
18.848
18.850
18.536
19.181
20.208
20.485
20.258
17.705

52.865
54.219
52.468
49.594
48.161
47.364
47.744
47.594
48.459
46.249
45.306
43.961
43.830
42.962
41.601
41.446
41.557
40.555
40.381
39.542
40.984
39.315
40.746
39.924
41.264
40.857
39.401
38.988
41.009
38.644
37.219
36.813
37.612
36.384
36.444
35.524
34.936
34.907
34.808
33.518
33.524
34.384
32.489
35.009
34.856
36.205
36.262
34.064
33.237
33.608
35.022
35.475
37.284
38.597
39.760
39.927
38.831
37.731
40.103
40.652

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.87
0.87
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.92

C
O
C
N
C
C
O
C
S
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4686
4687
4688
4689
4690
4691
4692
4693
4694
4695
4696
4697
4698
4699
4700
4701
4702
4703
4704
4705
4706
4707
4708
4709
4710
4711
4712
4713
4714
4715
4716
4717
4718
4719
4720
4721
4722
4723
4724
4725
4726
4727
4728
4729
4730
4731
4732
4733
4734
4735
4736
4737
4738
4739
4740
4741
4742
4743
4744
4745

CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2

ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
212
213
213
213
213
213
213
214
214
214
214
214
215
215
215
215
215
215
216
216
216
216
216
216
216
216
216
216
216
217
217
217
217
217
217
217
217
218
218
218
218
218
218
218
218

91.668
92.564
93.775
91.683
90.728
91.350
90.677
91.948
92.681
92.214
91.055
92.477
92.920
92.886
92.143
93.566
93.138
92.868
93.426
94.458
93.533
93.252
92.724
93.206
93.292
92.308
92.227
94.518
94.778
95.195
95.268
95.876
95.624
95.552
96.057
97.552
98.019
95.312
95.631
95.588
94.230
93.861
94.702
92.632
98.276
99.661
99.627
99.579
100.606
102.055
102.292
102.957
99.798
99.578
100.744
100.570
99.153
98.437
97.371
99.077

17.504
18.324
18.424
16.017
15.207
15.825
13.700
18.878
19.604
19.154
18.768
21.109
21.630
23.155
23.782
23.669
19.202
18.771
19.786
20.416
17.416
16.144
19.886
20.567
19.484
18.780
21.665
19.186
18.014
18.451
19.644
17.177
16.892
17.473
17.698
17.360
16.418
16.802
17.261
16.141
15.659
15.126
14.993
14.699
18.194
17.911
17.841
18.866
19.020
18.775
18.177
19.139
16.626
16.373
16.755
16.894
14.915
14.728
15.256
14.071

42.018
42.960
42.768
42.439
41.549
43.934
41.838
43.991
45.041
46.422
46.590
44.903
43.533
43.440
44.233
42.530
47.367
48.748
49.749
49.505
49.004
47.717
50.867
52.082
53.161
53.410
52.501
53.563
54.417
55.826
56.133
53.752
51.962
56.640
57.997
58.024
57.378
58.993
60.418
61.451
61.758
62.926
63.933
63.123
58.752
59.143
60.670
61.336
58.672
59.111
60.189
58.346
61.171
62.603
63.531
64.737
62.771
64.104
64.338
65.039

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.90
0.90
0.90
0.90
0.90
0.88
0.88
0.88
0.88
0.88
0.88
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83

C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4746
4747
4748
4749
4750
4751
4752
4753
4754
4755
4756
4757
4758
4759
4760
4761
4762
4763
4764
4765
4766
4767
4768
4769
4770
4771
4772
4773
4774
4775
4776
4777
4778
4779
4780
4781
4782
4783
4784
4785
4786
4787
4788
4789
4790
4791
4792
4793
4794
4795
4796
4797
4798
4799
4800
4801
4802
4803
4804
4805

N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C

SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

219
219
219
219
219
219
220
220
220
220
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
223
223
223
223
223
223
223
223
223
224
224
224
224
224
224
224
224
224
224
224
225
225
225
225
225
225
225
226
226
226

101.951
103.151
103.907
104.168
104.110
104.356
104.116
105.032
104.441
105.167
105.827
106.594
107.575
106.259
108.217
106.900
107.881
108.528
103.189
102.632
101.130
100.361
102.973
102.546
102.364
100.766
99.370
98.762
97.553
99.327
99.623
99.200
98.680
98.978
100.363
100.917
101.939
102.539
103.442
97.941
97.454
98.247
98.442
95.979
95.040
93.614
92.626
92.515
93.337
91.532
98.706
99.251
98.133
97.003
99.613
99.940
98.920
98.457
97.490
97.929

16.842
17.087
18.404
19.106
15.896
15.577
18.813
19.937
21.355
22.302
19.663
18.339
18.126
17.323
16.897
16.094
15.885
14.693
21.507
22.859
22.997
22.067
23.347
24.703
22.486
24.244
24.715
25.002
25.154
25.980
25.282
25.417
24.067
23.007
25.869
27.241
27.686
29.042
29.489
24.126
22.905
22.615
23.517
22.985
22.979
22.809
22.807
21.910
20.875
22.018
21.366
20.851
20.911
20.483
19.397
19.414
20.397
21.498
21.676
20.889

62.979
63.802
63.584
64.548
63.718
62.346
62.336
62.055
62.018
62.313
60.775
60.852
61.816
59.967
61.893
60.040
61.003
61.059
61.588
61.357
61.637
61.400
59.932
59.771
58.819
61.927
62.017
60.629
60.473
62.875
59.650
58.243
57.723
58.275
57.353
57.737
56.695
57.062
55.995
56.622
55.960
54.683
53.858
55.573
56.773
56.245
57.338
58.320
58.426
59.199
54.541
53.273
52.227
52.485
53.576
55.065
55.635
51.084
49.988
48.749

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86

N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4806
4807
4808
4809
4810
4811
4812
4813
4814
4815
4816
4817
4818
4819
4820
4821
4822
4823
4824
4825
4826
4827
4828
4829
4830
4831
4832
4833
4834
4835
4836
4837
4838
4839
4840
4841
4842
4843
4844
4845
4846
4847
4848
4849
4850
4851
4852
4853
4854
4855
4856
4857
4858
4859
4860
4861
4862
4863
4864
4865

O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
THR
THR
THR
THR

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
229
230
230
230
230
230
230
230
230
231
231
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233

98.903
97.346
96.258
96.569
94.954
95.584
93.965
94.286
97.268
97.535
96.844
95.703
97.074
97.386
97.712
97.560
97.042
97.354
98.529
97.708
97.381
97.969
97.682
98.211
96.315
96.465
95.941
94.751
95.792
95.947
96.121
94.711
96.878
96.589
96.085
96.856
97.861
97.580
96.924
98.068
94.792
94.100
94.579
94.551
92.573
91.787
92.094
95.054
95.591
96.821
96.951
96.060
94.929
94.211
94.896
92.983
97.690
99.009
99.192
100.294

21.240
23.167
23.412
23.380
23.658
23.608
23.880
23.857
19.763
18.885
19.442
19.902
17.441
16.480
16.883
19.306
19.543
18.308
17.985
20.751
22.092
23.211
24.598
25.630
17.584
16.366
16.583
16.816
15.176
13.870
12.698
13.605
16.491
16.562
15.195
14.247
17.002
17.236
16.463
18.329
15.139
13.923
13.515
12.339
14.136
12.918
14.456
14.489
14.253
13.343
12.426
15.547
16.549
16.428
16.669
16.208
13.620
12.965
12.160
11.697

48.080
49.668
48.621
47.266
49.029
46.322
48.082
46.733
48.542
47.382
46.122
46.169
47.672
46.518
48.948
45.011
43.650
42.799
42.581
42.984
43.634
42.776
43.346
42.446
42.419
41.609
40.187
39.962
42.307
41.517
42.478
40.653
39.258
37.820
37.331
37.202
37.090
35.607
34.944
35.074
37.041
36.542
35.132
34.772
36.582
36.084
38.001
34.363
33.003
33.045
32.241
32.342
32.204
30.867
29.849
30.901
34.009
34.085
35.373
35.657

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.94
0.94
0.94
0.94

O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4866
4867
4868
4869
4870
4871
4872
4873
4874
4875
4876
4877
4878
4879
4880
4881
4882
4883
4884
4885
4886
4887
4888
4889
4890
4891
4892
4893
4894
4895
4896
4897
4898
4899
4900
4901
4902
4903
4904
4905
4906
4907
4908
4909
4910
4911
4912
4913
4914
4915
4916
4917
4918
4919
4920
4921
4922
4923
4924
4925

CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N

THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

233
233
233
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
236
236
236
236
236
237
237
237
237
237
237
237
237
237
238
238
238
238
238
238
238
238
239
239
239
239
239
239
239
239
239
239
239
240
240
240
240
240
240
240
240
241

100.116
99.983
100.070
98.119
98.116
99.322
100.031
98.066
96.834
95.736
97.025
99.618
100.763
100.227
99.249
101.740
101.076
102.406
100.853
100.432
101.627
102.688
99.666
101.439
102.423
101.747
100.552
103.041
104.101
104.630
104.980
104.706
102.540
102.079
102.974
104.197
102.103
101.335
101.514
101.441
102.312
102.942
101.966
100.769
103.150
103.611
104.920
106.047
106.958
106.914
107.940
102.499
101.654
100.847
101.291
102.505
103.311
104.049
102.438
99.637

14.022
14.931
14.800
12.024
11.286
11.651
10.792
9.787
9.418
9.908
8.684
12.946
13.485
14.432
15.155
14.255
15.378
13.365
14.383
15.222
15.894
15.289
14.372
17.159
17.946
18.576
18.881
19.021
19.856
20.995
20.715
22.119
18.762
19.345
20.529
20.471
18.295
17.031
18.883
15.860
21.542
22.750
23.294
22.983
23.838
23.325
23.936
23.413
22.534
22.017
22.151
23.973
24.567
25.747
26.449
25.016
23.867
24.399
22.664
25.893

33.986
35.079
32.667
36.157
37.436
38.330
38.852
37.115
36.285
36.645
35.293
38.365
39.123
40.197
39.981
38.220
37.632
37.164
41.362
42.498
43.171
43.315
43.516
43.514
44.277
45.502
45.469
43.378
44.108
43.242
42.076
43.775
46.550
47.822
48.197
48.068
48.950
48.528
50.245
49.512
48.738
49.303
50.354
50.314
48.237
46.865
46.379
47.173
46.754
45.536
47.560
51.359
52.411
51.876
50.964
53.600
54.217
55.439
54.598
52.401

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.94
0.94
0.94
0.94
0.94
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83

C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4926
4927
4928
4929
4930
4931
4932
4933
4934
4935
4936
4937
4938
4939
4940
4941
4942
4943
4944
4945
4946
4947
4948
4949
4950
4951
4952
4953
4954
4955
4956
4957
4958
4959
4960
4961
4962
4963
4964
4965
4966
4967
4968
4969
4970
4971
4972
4973
4974
4975
4976
4977
4978
4979
4980
4981
4982
4983
4984
4985

CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O

MET
MET
MET
MET
MET
MET
MET
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

241
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
243
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
246
246
246
246
246
246
246
246
246
246
246
246
247
247
247
247
247
247
247
247
248
248
248
248

98.814
99.558
100.156
97.437
96.659
94.925
94.258
99.527
100.292
99.503
100.094
100.758
102.075
98.177
97.256
97.631
97.993
95.792
94.946
95.529
97.474
97.654
96.555
96.764
97.755
96.650
96.591
97.908
97.855
95.360
94.210
94.456
94.055
92.904
92.867
91.666
95.207
95.585
94.319
93.505
96.536
97.711
98.368
98.030
99.341
99.016
99.674
100.710
94.195
92.932
92.925
91.894
92.541
92.228
92.020
90.989
94.016
94.141
93.961
93.661

27.076
28.303
28.241
26.983
25.749
25.718
26.990
29.382
30.590
31.549
32.361
31.334
32.533
31.460
32.364
32.481
31.509
31.907
32.876
30.517
33.692
33.982
33.373
33.155
35.483
36.311
37.718
38.476
39.701
33.245
32.607
31.092
30.339
32.860
34.201
32.622
30.693
29.286
28.461
28.793
29.221
30.198
30.368
31.019
31.340
31.983
32.137
33.003
27.339
26.578
25.348
24.694
26.160
27.335
26.785
28.114
25.130
23.935
24.273
25.408

52.093
52.634
53.710
52.753
52.289
52.866
51.814
51.869
52.232
53.126
53.837
50.986
51.398
53.033
53.742
55.221
55.888
53.617
54.245
54.220
55.705
57.134
58.016
59.208
57.346
56.693
57.282
57.122
57.919
57.440
58.117
58.170
57.280
57.358
56.894
58.219
59.184
59.410
59.666
60.513
60.610
60.479
59.260
61.552
59.111
61.406
60.193
60.085
58.977
59.014
59.924
60.040
57.596
56.670
55.262
57.130
60.655
61.505
62.992
63.344

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.88
0.88
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85

C
C
O
C
C
S
C
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

4986
4987
4988
4989
4990
4991
4992
4993
4994
4995
4996
4997
4998
4999
5000
5001
5002
5003
5004
5005
5006
5007
5008
5009
5010
5011
5012
5013
5014
5015
5016
5017
5018
5019
5020
5021
5022
5023
5024
5025
5026
5027
5028
5029
5030
5031
5032
5033
5034
5035
5036
5037
5038
5039
5040
5041
5042
5043
5044
5045

CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O

ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

248
248
248
248
249
249
249
249
249
249
249
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
253
253
253
253
253
253
253
253
254
254
254
254
254
254
254
254
255
255
255
255
256
256
256
256

95.504
95.555
94.503
96.629
93.855
93.684
94.558
94.490
92.217
91.370
91.937
95.320
95.484
96.289
96.879
96.206
97.067
96.163
96.272
96.934
97.170
96.468
96.081
94.976
94.191
92.928
91.810
91.746
90.748
98.108
98.330
97.486
96.704
99.832
100.075
99.181
97.792
97.137
97.438
98.543
97.661
97.428
96.911
97.890
96.454
96.614
97.769
98.013
95.327
94.236
94.622
93.061
98.476
99.624
100.773
101.522
100.928
102.039
103.136
104.111

23.297
21.802
21.142
21.347
23.227
23.354
22.283
21.140
23.114
23.904
23.453
22.644
24.015
24.870
24.364
23.839
22.600
21.702
26.168
27.161
28.450
28.687
27.435
28.466
28.776
28.036
28.479
29.687
27.701
29.283
30.611
31.670
31.383
30.815
30.195
28.957
32.919
34.098
34.136
33.824
35.369
35.408
34.416
36.395
34.545
34.616
35.521
36.554
35.111
34.053
32.866
34.463
35.058
35.804
36.032
36.992
35.144
35.256
34.195
34.158

61.241
61.547
61.387
61.978
63.800
65.263
65.937
65.493
65.651
64.816
67.120
66.977
67.494
66.510
65.554
68.829
68.587
67.739
66.762
65.907
66.717
67.711
64.652
64.893
63.630
63.726
64.293
64.838
64.332
66.268
66.860
66.130
65.224
66.651
65.275
65.302
66.448
65.847
64.346
63.929
66.526
68.046
68.607
68.650
63.558
62.092
61.670
62.291
61.434
61.544
61.539
61.653
60.640
60.086
61.073
60.905
62.053
63.020
62.831
63.586

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.79
0.79
0.79
0.79

C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5046
5047
5048
5049
5050
5051
5052
5053
5054
5055
5056
5057
5058
5059
5060
5061
5062
5063
5064
5065
5066
5067
5068
5069
5070
5071
5072
5073
5074
5075
5076
5077
5078
5079
5080
5081
5082
5083
5084
5085
5086
5087
5088
5089
5090
5091
5092
5093
5094
5095
5096
5097
5098
5099
5100
5101
5102
5103
5104
5105

CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N

SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
ASP

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

256
256
257
257
257
257
257
257
257
257
258
258
258
258
258
259
259
259
259
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
262
262
262
263
263
263
263
263
263
264
264
264
264
264
264
264
264
265
265
265
265
266

101.519
101.071
103.008
104.083
104.926
104.580
103.532
102.621
104.696
101.896
105.979
106.896
107.714
108.190
107.829
107.888
108.700
107.899
106.770
108.513
107.847
106.660
106.547
108.949
109.881
109.888
105.856
104.686
105.059
104.293
104.119
103.621
106.279
106.803
107.207
107.634
107.957
109.162
109.319
108.279
110.486
107.151
107.558
106.514
105.367
107.717
108.729
106.925
106.021
105.570
104.385
106.672
106.897
107.742
106.113
106.589
106.419
106.550
107.155
106.013

35.248
33.941
33.384
32.481
33.277
33.381
31.187
30.424
30.304
29.217
33.897
34.708
33.843
32.757
35.519
34.409
33.798
33.554
34.037
32.872
32.516
31.580
30.980
31.856
31.248
32.322
31.369
30.462
29.052
28.356
30.296
31.840
28.637
27.308
27.141
26.056
26.908
27.854
28.716
29.143
29.021
28.223
28.222
27.511
27.931
29.649
30.291
26.425
25.678
26.519
26.757
24.387
23.320
22.447
23.366
27.051
27.742
26.697
25.641
27.028

64.460
64.820
61.781
61.325
60.315
59.137
60.688
61.667
60.200
61.054
60.831
60.009
59.043
59.379
60.909
57.846
56.787
55.496
55.374
54.520
53.253
53.511
54.578
52.421
53.467
54.550
52.474
52.525
53.024
53.672
51.116
50.269
52.687
53.053
54.531
54.932
52.124
52.189
50.932
50.377
50.616
55.301
56.720
57.579
57.642
57.240
56.471
58.227
59.129
60.331
60.534
59.646
58.572
58.677
57.520
61.019
62.306
63.417
63.229
64.584

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.84
0.84
0.84
0.84
0.84
0.86
0.86
0.86
0.86
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.91
0.91
0.91
0.91
0.91
0.91
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.75

C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5106
5107
5108
5109
5110
5111
5112
5113
5114
5115
5116
5117
5118
5119
5120
5121
5122
5123
5124
5125
5126
5127
5128
5129
5130
5131
5132
5133
5134
5135
5136
5137
5138
5139
5140
5141
5142
5143
5144
5145
5146
5147
5148
5149
5150
5151
5152
5153
5154
5155
5156
5157
5158
5159
5160
5161
5162
5163
5164
5165

CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG

ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

266
266
266
266
266
266
266
267
267
267
267
267
267
267
267
267
268
268
268
268
268
268
268
268
268
268
268
268
268
268
269
269
269
269
269
269
269
269
270
270
270
270
271
271
271
271
272
272
272
272
272
272
272
272
273
273
273
273
273
273

105.973
105.122
104.185
105.441
106.324
107.500
105.793
105.455
104.780
103.265
102.512
105.313
106.778
107.336
107.115
105.752
102.868
101.453
100.877
99.933
100.643
101.054
101.794
100.702
101.934
101.284
99.954
101.119
99.781
100.363
101.619
101.382
99.886
99.221
102.158
102.130
102.876
102.730
99.421
97.997
97.490
98.251
96.191
95.508
94.029
93.508
93.407
91.987
91.712
92.311
91.088
89.644
91.211
88.649
90.792
90.290
89.479
88.721
89.411
89.087

26.064
24.854
24.998
26.721
27.882
27.952
28.688
23.701
22.437
22.537
22.252
21.269
20.962
19.782
18.404
17.878
23.040
23.064
21.649
21.378
24.096
25.512
26.357
26.141
27.492
27.395
25.738
28.264
26.611
27.874
20.739
19.290
18.969
19.384
18.651
17.119
16.568
16.567
18.259
17.934
18.543
19.087
18.351
18.843
18.467
18.045
18.564
18.229
18.205
18.970
19.256
18.729
20.678
19.653
17.342
17.360
18.654
19.061
16.132
15.940

65.701
65.300
64.516
66.979
67.460
67.036
68.250
65.871
65.521
65.710
64.788
66.357
66.038
66.844
66.205
66.370
66.890
67.306
67.175
66.440
66.505
66.893
66.182
68.072
66.866
68.024
69.170
69.094
70.234
70.195
67.814
67.779
67.889
68.842
68.936
68.907
67.688
70.200
66.867
66.694
65.382
64.581
65.173
63.969
64.031
65.067
62.869
62.676
61.169
60.410
63.402
63.462
62.814
64.169
60.768
59.386
59.191
60.076
59.174
57.697

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83

C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5166
5167
5168
5169
5170
5171
5172
5173
5174
5175
5176
5177
5178
5179
5180
5181
5182
5183
5184
5185
5186
5187
5188
5189
5190
5191
5192
5193
5194
5195
5196
5197
5198
5199
5200
5201
5202
5203
5204
5205
5206
5207
5208
5209
5210
5211
5212
5213
5214
5215
5216
5217
5218
5219
5220
5221
5222
5223
5224
5225

CD
CE
NZ
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N

LYS
LYS
LYS
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

273
273
273
274
274
274
274
275
275
275
275
276
276
276
276
276
276
276
276
276
276
276
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
279
279
280
280
280
280
280
280
280
280
280
280
280
281

88.095
87.785
88.935
89.686
89.010
88.198
88.630
86.991
86.070
86.676
87.283
86.459
86.961
86.129
85.773
88.437
89.027
88.871
89.677
89.375
90.189
90.043
85.792
84.951
85.096
85.290
83.492
82.820
82.647
84.898
85.013
83.640
82.687
85.801
87.215
87.603
88.264
88.901
89.308
83.605
82.461
82.931
83.323
81.987
80.885
80.685
81.497
79.557
83.028
83.472
82.437
81.251
83.595
84.274
84.115
84.004
82.876
81.696
82.918
82.922

14.794
14.583
14.037
19.273
20.535
20.392
19.774
20.938
21.040
21.980
22.998
21.595
22.303
21.826
20.646
21.938
22.455
23.777
21.556
24.201
21.976
23.304
22.767
22.486
23.599
24.770
22.259
23.511
21.604
23.198
24.105
24.520
23.738
23.430
23.056
21.853
23.873
21.924
23.169
25.780
26.432
26.922
28.076
27.587
28.418
29.771
30.281
30.373
25.966
26.215
27.080
26.736
24.909
23.796
22.490
21.407
20.830
21.224
19.828
28.193

57.534
56.057
55.323
58.028
57.686
56.404
55.423
56.474
55.336
54.300
54.640
53.057
51.872
50.684
50.606
51.672
50.359
49.965
49.528
48.747
48.311
47.929
49.816
48.640
47.595
47.935
49.098
49.679
48.003
46.348
45.197
44.669
44.632
44.072
44.513
44.927
44.536
45.192
44.952
44.268
43.613
42.235
42.031
44.500
43.832
44.512
45.276
44.224
41.330
39.947
39.223
39.148
39.163
39.956
39.191
40.177
40.578
40.146
41.427
38.711

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.92
0.92
0.92
0.92
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82

C
C
N
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5226
5227
5228
5229
5230
5231
5232
5233
5234
5235
5236
5237
5238
5239
5240
5241
5242
5243
5244
5245
5246
5247
5248
5249
5250
5251
5252
5253
5254
5255
5256
5257
5258
5259
5260
5261
5262
5263
5264
5265
5266
5267
5268
5269
5270
5271
5272
5273
5274
5275
5276
5277
5278
5279
5280
5281
5282
5283
5284
5285

CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2

MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

281
281
281
281
281
281
281
282
282
282
282
282
283
283
283
283
283
283
284
284
284
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286
286
287
287
287
287
287
287
287
287
287
287
287
288
288
288
288
288
288
288
288
288
288

82.151
82.843
83.976
82.053
81.079
81.208
82.763
82.175
82.689
84.113
84.998
81.739
84.336
85.612
86.184
86.965
85.397
84.381
85.821
86.287
86.189
85.390
85.445
85.917
85.086
85.423
84.781
87.031
87.003
86.723
87.426
88.294
87.932
89.340
87.032
85.765
85.450
85.884
85.500
86.770
87.273
86.781
86.983
88.800
89.339
90.864
91.379
91.975
92.119
92.422
86.084
85.469
86.154
86.441
83.982
83.219
83.171
82.425
82.370
81.886

29.059
29.053
28.589
30.467
30.473
31.971
31.590
29.624
29.624
30.202
29.577
30.413
31.304
32.048
32.414
33.357
33.315
34.119
31.632
31.850
30.552
29.665
32.961
33.287
34.376
35.750
36.761
30.485
29.400
29.974
30.879
28.557
27.085
28.702
26.437
29.362
29.709
28.552
27.408
28.857
27.859
28.217
29.341
27.830
27.280
27.267
26.716
27.412
28.727
26.794
27.258
27.422
26.493
25.336
27.067
27.980
27.866
29.059
28.811
29.548

37.803
36.439
36.315
38.392
39.575
40.612
41.383
35.440
34.056
33.950
33.376
33.152
34.664
34.610
35.989
36.125
33.777
34.388
37.002
38.382
39.189
38.886
39.027
40.446
41.105
40.551
41.391
40.213
41.194
42.588
43.036
41.077
40.833
42.196
41.898
43.264
44.662
45.559
45.321
46.493
47.454
48.855
49.325
47.427
46.108
46.137
44.873
43.905
43.996
42.819
49.443
50.772
51.767
51.452
50.705
49.744
48.419
50.093
47.923
48.919

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.72
0.72
0.72
0.72
0.72
0.68
0.68
0.68
0.68
0.68
0.68
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91

C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5286
5287
5288
5289
5290
5291
5292
5293
5294
5295
5296
5297
5298
5299
5300
5301
5302
5303
5304
5305
5306
5307
5308
5309
5310
5311
5312
5313
5314
5315
5316
5317
5318
5319
5320
5321
5322
5323
5324
5325
5326
5327
5328
5329
5330
5331
5332
5333
5334
5335
5336
5337
5338
5339
5340
5341
5342
5343
5344
5345

CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG

TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

288
288
288
288
289
289
289
289
289
289
289
289
289
289
289
289
290
290
290
290
290
290
291
291
291
291
291
291
291
291
291
291
291
292
292
292
292
292
292
292
293
293
293
293
293
293
293
293
294
294
294
294
294
294
295
295
295
295
295
295

82.093
80.987
81.198
80.643
86.397
87.115
86.414
85.814
88.556
89.302
89.158
90.212
89.930
90.995
90.851
91.623
86.536
86.031
87.228
88.311
85.155
84.089
87.004
87.993
87.179
86.109
88.854
88.715
89.164
90.611
91.274
90.665
92.558
87.736
87.115
87.205
88.030
87.796
89.149
87.714
86.262
86.291
87.405
88.030
84.921
84.835
83.116
82.594
87.599
88.697
90.022
90.104
88.426
89.492
91.065
92.429
92.958
93.694
93.443
93.134

29.639
30.608
30.698
31.183
27.038
26.325
26.568
27.625
26.834
26.816
27.901
25.810
27.994
25.904
26.996
27.099
25.579
25.657
25.667
25.185
24.446
24.338
26.250
26.307
26.316
26.942
27.571
28.597
30.004
30.078
31.221
32.381
31.232
25.736
25.833
27.291
28.079
24.911
25.333
23.439
27.711
29.109
29.352
30.410
29.499
31.015
31.595
31.070
28.365
28.388
28.067
27.104
27.357
27.290
28.801
28.539
27.180
26.484
29.588
31.019

51.305
48.967
51.362
50.186
52.947
54.017
55.351
55.570
54.121
52.784
51.928
52.484
50.782
51.341
50.492
49.381
56.215
57.595
58.545
58.211
57.921
56.976
59.709
60.795
62.097
62.143
60.587
61.714
61.416
61.241
61.272
61.484
61.043
63.144
64.485
64.962
64.513
65.500
65.636
65.080
65.785
66.254
67.286
67.311
66.779
66.981
67.167
65.557
68.157
69.141
68.438
67.685
70.239
71.199
68.819
68.302
68.786
68.097
68.767
68.329

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78

C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
O
C
N
C
C
O
C
C
S
C
N
C
C
O
C
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5346
5347
5348
5349
5350
5351
5352
5353
5354
5355
5356
5357
5358
5359
5360
5361
5362
5363
5364
5365
5366
5367
5368
5369
5370
5371
5372
5373
5374
5375
5376
5377
5378
5379
5380
5381
5382
5383
5384
5385
5386
5387
5388
5389
5390
5391
5392
5393
5394
5395
5396
5397
5398
5399
5400
5401
5402
5403
5404
5405

CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA

LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

295
295
295
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
299
299
300
300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
303
303

94.362
94.018
93.630
92.568
93.149
92.248
92.714
93.583
92.471
94.712
90.949
89.986
89.028
88.801
89.230
90.156
91.355
89.585
88.408
87.495
86.057
85.087
87.564
89.006
89.041
89.279
89.934
90.452
90.056
85.971
84.703
84.419
85.330
84.814
85.146
83.777
82.883
83.137
82.680
83.227
84.044
82.798
83.175
82.744
81.575
82.478
83.089
84.777
84.428
83.693
83.508
83.729
84.493
84.524
84.503
85.633
86.683
85.403
83.084
83.187

31.895
33.167
32.864
26.846
25.712
24.473
23.350
26.165
26.713
27.201
24.702
23.610
23.480
24.428
23.851
23.835
24.044
23.609
22.312
21.960
22.457
21.700
20.448
19.990
18.860
17.524
16.553
16.747
15.354
23.758
24.453
25.479
26.187
25.184
24.253
23.146
24.249
25.585
26.498
26.109
25.197
26.859
26.605
27.779
28.188
25.331
24.787
24.108
22.653
28.249
29.410
29.000
28.075
30.496
30.858
31.797
31.792
32.516
29.747
29.531

68.588
69.368
70.754
70.014
70.758
70.856
70.700
72.163
72.881
72.089
71.029
71.247
70.060
69.309
72.561
73.788
73.749
74.946
69.979
68.872
69.123
69.213
68.627
68.399
67.384
67.945
67.304
66.095
67.851
69.382
69.676
68.574
68.126
71.021
72.193
72.691
73.765
68.215
67.150
65.772
65.645
64.766
63.362
62.482
62.493
62.865
61.570
61.769
62.729
61.692
60.802
59.345
59.061
61.154
62.640
63.066
62.388
64.060
58.462
57.015

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.88
0.88

C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N
C
C
O
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
O
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5406
5407
5408
5409
5410
5411
5412
5413
5414
5415
5416
5417
5418
5419
5420
5421
5422
5423
5424
5425
5426
5427
5428
5429
5430
5431
5432
5433
5434
5435
5436
5437
5438
5439
5440
5441
5442
5443
5444
5445
5446
5447
5448
5449
5450
5451
5452
5453
5454
5455
5456
5457
5458
5459
5460
5461
5462
5463
5464
5465

C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O

LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

303
303
303
303
303
303
304
304
304
304
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
309
309
309
309

84.027
83.866
81.788
81.497
80.265
82.656
84.901
85.765
85.663
85.254
87.218
87.410
87.172
87.816
87.339
87.996
87.762
87.958
85.989
85.994
87.167
87.608
84.626
84.355
84.442
87.582
88.648
88.616
88.959
90.004
91.136
92.471
93.586
93.932
93.265
94.954
87.957
87.811
89.136
89.744
86.754
85.381
85.050
84.465
83.803
83.214
82.886
81.661
89.533
90.780
91.993
91.883
90.698
89.517
89.253
88.866
93.163
94.430
95.073
94.496

30.647
31.818
29.590
28.478
28.888
28.128
30.253
31.176
30.941
29.865
31.027
31.579
30.755
32.894
31.250
33.386
32.560
33.047
31.988
31.979
32.809
33.770
32.464
33.954
32.080
32.454
33.148
32.686
31.548
32.811
33.622
33.128
33.935
35.157
35.792
35.755
33.507
33.249
33.493
34.554
34.178
33.875
34.389
33.102
34.131
32.845
33.361
33.130
32.520
32.568
32.778
32.916
33.683
33.493
32.322
34.510
32.656
32.796
31.420
30.388

56.388
56.746
56.399
55.384
54.591
54.447
55.476
54.720
53.213
52.766
55.176
56.588
57.680
56.780
58.962
58.064
59.154
60.403
52.474
51.003
50.463
51.096
50.485
50.735
49.017
49.254
48.514
47.055
46.728
49.133
48.506
49.056
48.557
48.964
49.918
48.382
46.254
44.813
44.107
44.271
44.227
44.819
46.063
44.123
46.604
44.660
45.905
46.431
43.294
42.513
43.437
44.654
41.455
40.499
40.140
40.190
42.817
43.548
43.675
43.330

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.84
0.84
0.84
0.84

C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5466
5467
5468
5469
5470
5471
5472
5473
5474
5475
5476
5477
5478
5479
5480
5481
5482
5483
5484
5485
5486
5487
5488
5489
5490
5491
5492
5493
5494
5495
5496
5497
5498
5499
5500
5501
5502
5503
5504
5505
5506
5507
5508
5509
5510
5511
5512
5513
5514
5515
5516
5517
5518
5519
5520
5521
5522
5523
5524
5525

N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
OD2
N
CA

ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
SER
SER
SER
SER
SER
SER
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

310
310
310
310
310
310
310
310
311
311
311
311
311
311
311
312
312
312
312
312
312
312
312
312
312
312
312
312
312
313
313
313
313
313
313
313
314
314
314
314
314
314
314
314
315
315
315
315
315
315
316
316
316
316
316
316
316
316
317
317

96.339
97.101
97.241
97.979
98.452
99.229
98.654
100.392
96.517
96.588
98.039
98.404
95.814
94.787
95.566
98.869
100.311
101.129
102.129
100.900
100.457
99.873
100.762
99.823
100.343
101.386
100.532
101.567
101.139
100.694
101.487
100.766
101.409
102.266
101.381
103.451
99.477
98.701
98.621
97.993
97.302
97.278
98.255
96.221
99.296
99.371
98.066
97.810
100.481
101.728
97.266
96.042
95.117
94.900
95.255
96.078
96.231
96.576
94.649
93.651

31.463
30.234
30.032
30.791
30.292
28.971
27.994
28.967
29.048
28.688
28.471
28.852
27.375
27.482
28.164
28.035
27.827
29.090
29.022
27.035
25.569
24.950
24.589
23.650
23.384
24.603
22.194
23.413
22.208
30.227
31.473
32.763
33.800
31.706
31.610
30.742
32.682
33.866
34.007
33.195
33.819
34.197
33.895
34.705
35.040
35.343
35.892
35.764
36.353
35.842
36.533
37.231
36.293
35.143
37.788
38.631
39.828
38.046
36.819
36.143

44.049
44.254
45.767
46.402
43.527
43.612
44.148
43.164
46.321
47.753
48.200
49.308
47.863
46.738
45.616
47.248
47.456
47.741
48.449
46.279
46.306
47.338
45.370
47.102
45.913
44.127
45.227
43.430
43.978
47.204
47.298
47.715
47.874
45.998
44.876
45.868
48.031
48.440
49.960
50.634
47.828
46.344
45.627
45.919
50.450
51.898
52.481
53.677
52.193
51.722
51.626
52.060
52.847
52.471
50.871
49.901
50.205
48.912
53.973
54.816

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82
0.82
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82

N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5526
5527
5528
5529
5530
5531
5532
5533
5534
5535
5536
5537
5538
5539
5540
5541
5542
5543
5544
5545
5546
5547
5548
5549
5550
5551
5552
5553
5554
5555
5556
5557
5558
5559
5560
5561
5562
5563
5564
5565
5566
5567
5568
5569
5570
5571
5572
5573
5574
5575
5576
5577
5578
5579
5580
5581
5582
5583
5584
5585

C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA

ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

317
317
317
318
318
318
318
318
318
318
318
319
319
319
319
319
319
319
320
320
320
320
320
320
320
320
321
321
321
321
321
321
322
322
322
322
323
323
323
323
323
323
323
324
324
324
324
324
324
324
324
325
325
325
325
325
325
325
326
326

92.398
92.048
93.254
91.791
90.504
89.408
89.546
90.081
91.018
91.759
92.018
88.344
87.177
86.257
85.794
86.430
87.332
85.203
86.057
85.069
83.670
83.331
85.134
84.184
84.468
84.291
82.880
81.572
80.417
79.265
81.692
82.717
80.748
79.739
80.202
81.182
79.475
79.651
78.562
77.383
79.495
79.396
80.620
78.995
78.090
77.773
76.651
78.723
78.944
79.641
81.296
78.789
78.682
79.374
80.443
79.369
79.219
78.820
78.788
79.346

35.834
36.600
37.075
34.687
34.349
35.305
35.982
32.897
31.779
32.103
31.373
35.372
36.202
35.384
34.311
36.643
37.370
37.510
35.904
35.338
35.449
36.468
36.071
35.485
34.005
36.291
34.408
34.273
33.873
33.802
33.282
33.729
33.641
33.280
32.198
31.481
32.181
31.235
30.166
30.424
32.006
31.083
33.032
28.987
27.827
27.243
26.858
26.776
27.354
26.173
26.004
27.246
26.773
27.823
28.327
25.398
24.820
24.358
28.081
29.044

53.992
53.091
55.965
54.263
53.633
54.110
55.135
53.901
53.417
52.128
54.487
53.330
53.672
54.577
54.189
52.406
51.568
52.712
55.783
56.715
56.088
55.486
58.061
59.117
59.399
60.411
56.297
55.617
56.541
56.114
54.454
53.562
57.821
58.828
59.803
59.590
60.906
62.019
61.872
62.122
63.342
64.561
63.518
61.465
61.341
62.726
63.036
60.429
59.027
57.819
58.450
63.581
64.970
65.853
65.501
65.086
66.485
64.101
67.014
67.983

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81

C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5586
5587
5588
5589
5590
5591
5592
5593
5594
5595
5596
5597
5598
5599
5600
5601
5602
5603
5604
5605
5606
5607
5608
5609
5610
5611
5612
5613
5614
5615
5616
5617
5618
5619
5620
5621
5622
5623
5624
5625
5626
5627
5628
5629
5630
5631
5632
5633
5634
5635
5636
5637
5638
5639
5640
5641
5642
5643
5644
5645

C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB

SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

326
326
326
326
327
327
327
327
327
327
327
327
328
328
328
328
328
328
328
328
328
329
329
329
329
329
329
329
329
329
330
330
330
330
330
330
330
331
331
331
331
332
332
332
332
332
332
332
332
332
332
332
332
332
332
333
333
333
333
333

80.335
80.285
78.217
77.532
81.159
82.152
81.558
82.285
83.106
82.483
84.379
81.388
80.258
79.523
79.232
78.952
78.209
78.301
78.556
78.173
79.099
79.255
78.942
80.188
81.133
77.883
76.487
75.842
75.444
75.743
80.193
81.291
81.469
80.492
80.861
79.962
79.212
82.737
83.138
84.377
85.474
84.154
85.245
85.482
85.407
84.933
84.978
84.318
85.687
84.586
85.417
86.528
85.993
87.114
86.851
85.761
86.011
84.894
83.720
86.070

28.334
27.113
29.694
28.711
29.120
28.597
27.799
27.113
29.684
31.080
29.708
31.138
27.984
27.173
25.740
24.861
27.835
28.445
29.957
30.628
30.424
25.535
24.235
23.533
24.204
24.421
24.784
23.614
22.643
23.715
22.194
21.354
21.512
21.493
19.920
20.064
21.360
21.632
21.680
20.809
21.192
19.602
18.644
18.561
19.583
17.279
17.325
18.180
16.470
17.918
16.879
15.387
16.216
14.731
15.145
17.367
17.142
17.760
17.741
15.643

68.915
69.080
68.790
69.573
69.594
70.560
71.734
72.442
71.085
71.241
70.245
72.312
71.985
72.975
72.502
73.315
73.396
74.801
74.823
73.836
75.846
71.188
70.581
70.003
69.574
69.493
69.996
70.739
70.056
71.978
70.044
69.523
68.009
67.257
69.830
71.054
70.772
67.613
66.193
65.957
66.357
65.451
65.179
63.669
62.984
65.812
67.334
68.114
68.159
69.385
69.455
67.924
70.526
68.998
70.298
63.152
61.720
60.885
61.255
61.405

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.81
0.81
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.83
0.83
0.83
0.83
0.83

C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5646
5647
5648
5649
5650
5651
5652
5653
5654
5655
5656
5657
5658
5659
5660
5661
5662
5663
5664
5665
5666
5667
5668
5669
5670
5671
5672
5673
5674
5675
5676
5677
5678
5679
5680
5681
5682
5683
5684
5685
5686
5687
5688
5689
5690
5691
5692
5693
5694
5695
5696
5697
5698
5699
5700
5701
5702
5703
5704
5705

CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O

TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

333
333
333
333
333
333
333
334
334
334
334
334
334
335
335
335
335
335
335
335
335
335
335
335
336
336
336
336
337
337
337
337
337
337
337
337
337
337
337
338
338
338
338
338
338
338
338
338
339
339
339
339
339
339
339
339
340
340
340
340

87.312
88.026
87.732
89.140
88.854
89.553
90.573
85.321
84.400
84.867
86.025
84.328
85.613
83.920
84.164
83.290
82.354
83.921
82.532
81.436
82.364
80.164
81.092
79.993
83.633
82.890
82.405
83.025
81.250
80.625
79.739
79.513
79.807
78.634
78.831
77.365
77.750
76.283
76.478
79.327
78.534
77.297
77.402
79.377
80.600
81.369
80.685
82.615
76.147
74.860
74.795
75.159
73.671
73.841
72.388
72.806
74.278
74.113
72.681
71.717

14.923
15.382
13.769
14.706
13.087
13.557
12.830
18.503
19.054
18.578
18.192
20.582
21.160
18.504
17.989
18.712
19.424
16.474
16.111
16.138
15.871
15.924
15.660
15.683
18.480
19.027
17.894
16.831
18.129
17.219
18.045
19.231
16.129
16.687
17.101
16.711
17.527
17.132
17.537
17.435
18.148
17.354
16.222
18.422
19.281
19.653
19.919
19.621
17.932
17.380
17.561
18.614
18.072
18.091
17.315
18.947
16.536
16.523
16.925
16.236

61.940
63.046
61.290
63.495
61.738
62.840
63.346
59.893
58.891
57.519
57.331
58.981
58.742
56.605
55.247
54.222
54.581
55.209
55.737
54.884
57.094
55.396
57.605
56.755
52.955
51.812
50.907
50.826
50.312
49.333
48.398
48.635
50.039
50.846
52.156
50.281
52.915
51.040
52.355
47.297
46.285
45.885
45.406
45.043
45.372
44.114
43.097
44.214
46.187
45.724
44.196
43.666
46.411
47.941
46.036
48.679
43.533
42.070
41.709
42.047

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85

C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5706
5707
5708
5709
5710
5711
5712
5713
5714
5715
5716
5717
5718
5719
5720
5721
5722
5723
5724
5725
5726
5727
5728
5729
5730
5731
5732
5733
5734
5735
5736
5737
5738
5739
5740
5741
5742
5743
5744
5745
5746
5747
5748
5749
5750
5751
5752
5753
5754
5755
5756
5757
5758
5759
5760
5761
5762
5763
5764
5765

CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N

LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

340
340
340
340
340
341
341
341
341
341
341
341
341
342
342
342
342
342
342
342
342
342
343
343
343
343
343
343
343
343
343
344
344
344
344
344
344
345
345
345
345
345
345
345
345
346
346
346
346
346
346
346
347
347
347
347
347
347
347
348

74.415
75.891
76.754
78.196
78.990
72.565
71.267
71.164
72.193
71.187
69.842
68.815
69.907
69.956
69.642
70.677
71.034
68.273
67.153
66.915
65.839
65.565
71.185
72.189
73.476
74.306
71.542
70.931
69.429
69.122
67.698
73.625
74.765
75.020
74.168
74.531
72.967
76.186
76.640
76.482
76.760
78.103
78.333
77.425
79.473
76.060
75.746
76.766
76.643
74.307
73.869
73.279
77.826
78.893
78.333
77.438
79.926
79.087
78.013
78.826

15.125
14.734
15.425
14.929
15.391
18.139
18.664
18.440
18.383
20.149
20.768
20.049
21.885
18.510
18.248
18.769
18.045
18.848
18.503
16.998
16.747
15.312
19.983
20.595
21.160
21.718
21.698
21.158
21.436
22.934
23.138
21.050
21.666
21.019
20.317
23.179
23.624
21.330
20.756
21.783
22.966
20.325
19.183
18.884
18.675
21.292
22.153
21.836
20.785
21.942
23.145
21.672
22.650
22.456
22.635
23.455
23.531
24.671
23.934
21.813

41.522
41.645
40.587
40.682
39.537
41.195
40.741
39.228
38.583
41.100
40.723
40.736
40.202
38.680
37.257
36.240
35.319
36.904
37.896
38.045
39.100
39.251
36.470
35.575
36.191
35.472
34.747
33.451
33.393
33.487
33.760
37.506
38.206
39.567
40.122
38.331
39.169
40.108
41.385
42.502
42.324
41.260
40.260
39.457
40.241
43.651
44.805
45.912
46.555
45.315
46.154
44.209
46.017
47.016
48.433
48.663
46.675
46.106
45.306
49.344

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.95
0.95
0.95
0.95
0.95
0.95
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94

C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5766
5767
5768
5769
5770
5771
5772
5773
5774
5775
5776
5777
5778
5779
5780
5781
5782
5783
5784
5785
5786
5787
5788
5789
5790
5791
5792
5793
5794
5795
5796
5797
5798
5799
5800
5801
5802
5803
5804
5805
5806
5807
5808
5809
5810
5811
5812
5813
5814
5815
5816
5817
5818
5819
5820
5821
5822
5823
5824
5825

CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N

CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

348
348
348
348
348
349
349
349
349
349
349
349
349
350
350
350
350
351
351
351
351
351
351
351
351
352
352
352
352
352
352
352
352
352
353
353
353
353
353
353
353
353
354
354
354
354
354
354
354
355
355
355
355
355
355
355
355
355
355
356

78.363
79.515
80.566
77.280
75.796
79.282
80.150
79.299
78.315
80.816
81.912
81.330
83.152
79.855
79.305
80.250
81.472
79.659
80.399
80.031
78.871
80.104
80.351
80.929
79.138
81.051
80.963
80.956
81.948
82.158
82.134
83.445
84.502
83.363
79.832
79.634
79.615
78.602
78.318
78.226
76.705
77.065
80.786
80.978
80.426
80.711
82.460
82.766
82.895
79.807
79.387
80.494
80.802
78.098
76.981
76.236
76.555
75.364
75.534
81.151

21.790
21.490
20.985
20.718
20.907
21.848
21.542
20.841
21.405
22.833
23.352
22.739
22.456
19.731
18.997
19.151
19.156
19.330
19.534
18.403
18.269
20.900
22.099
21.096
22.439
17.646
16.668
17.424
18.030
15.727
14.721
13.955
14.608
12.729
17.319
17.968
16.887
16.221
18.748
19.775
20.785
21.766
16.643
15.529
15.854
16.896
15.106
13.998
14.592
14.828
14.768
14.059
12.888
13.956
14.483
15.554
13.916
15.653
14.632
14.842

50.744
51.707
51.302
50.921
49.866
52.961
54.113
55.182
55.670
54.653
53.705
56.103
53.570
55.662
56.812
58.007
57.847
59.177
60.437
61.400
61.805
61.101
60.176
62.382
59.302
61.763
62.855
64.191
64.604
62.784
63.929
63.999
63.879
64.208
64.871
66.179
67.263
67.485
66.182
65.050
65.134
66.575
67.836
68.790
70.184
70.774
68.845
69.862
67.476
70.745
72.154
72.943
72.712
72.298
71.402
71.647
70.277
70.653
69.823
73.786

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.94
0.94
0.94
0.94
0.94
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.93
0.93
0.93
0.93
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.79

C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5826
5827
5828
5829
5830
5831
5832
5833
5834
5835
5836
5837
5838
5839
5840
5841
5842
5843
5844
5845
5846
5847
5848
5849
5850
5851
5852
5853
5854
5855
5856
5857
5858
5859
5860
5861
5862
5863
5864
5865
5866
5867
5868
5869
5870
5871
5872
5873
5874
5875
5876
5877
5878
5879
5880
5881
5882
5883
5884
5885

CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
ND1

ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
HIS
HIS
HIS
HIS
HIS
HIS
HIS

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

356
356
356
356
356
356
356
357
357
357
357
358
358
358
358
359
359
359
359
359
359
359
359
359
360
360
360
360
360
360
360
360
361
361
361
361
361
361
361
362
362
362
362
362
362
362
362
362
362
362
362
362
362
363
363
363
363
363
363
363

82.262
82.054
82.098
83.572
84.799
84.700
85.761
81.865
81.606
82.588
82.187
83.859
84.927
85.078
84.456
85.818
86.039
85.357
85.541
87.549
87.888
89.390
90.225
90.181
84.480
83.659
82.169
81.288
83.877
85.207
85.473
85.946
81.918
80.562
80.670
81.773
79.752
78.381
80.313
79.519
79.435
79.994
80.018
78.001
76.983
76.362
76.550
75.557
75.647
76.817
75.004
76.162
75.257
80.505
81.178
80.652
80.721
82.674
83.542
84.083

14.348
14.743
15.923
14.888
14.469
13.454
15.257
13.710
13.888
13.094
12.458
13.097
12.295
10.955
10.735
10.049
8.685
7.627
6.423
8.428
7.263
6.968
8.041
7.916
8.117
7.283
7.315
7.257
7.730
7.227
6.014
8.090
7.445
7.434
7.343
7.349
8.670
8.500
10.002
7.285
7.251
8.519
9.615
6.969
7.987
7.944
9.124
9.000
9.741
9.658
10.903
10.814
11.436
8.281
9.286
9.107
8.000
8.969
10.079
11.067

74.607
76.074
76.412
74.025
74.831
75.570
74.781
76.900
78.345
79.215
80.187
78.786
79.413
78.679
77.639
79.308
78.774
79.660
79.505
78.676
77.730
77.680
76.969
75.504
80.536
81.428
81.048
81.905
82.879
83.443
83.305
83.964
79.749
79.160
77.630
77.079
79.609
79.228
79.092
76.972
75.502
74.835
75.399
75.040
75.553
76.729
74.890
76.843
75.740
73.634
75.338
73.227
74.079
73.637
72.800
71.374
70.845
72.842
72.252
72.956

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.76
0.76
0.76
0.76
0.76
0.76
0.76

C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5886
5887
5888
5889
5890
5891
5892
5893
5894
5895
5896
5897
5898
5899
5900
5901
5902
5903
5904
5905
5906
5907
5908
5909
5910
5911
5912
5913
5914
5915
5916
5917
5918
5919
5920
5921
5922
5923
5924
5925
5926
5927
5928
5929
5930
5931
5932
5933
5934
5935
5936
5937
5938
5939
5940
5941
5942
5943
5944
5945

CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
SG
N
CA
C

HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

363
363
363
364
364
364
364
364
364
365
365
365
365
365
366
366
366
366
366
367
367
367
367
367
367
367
368
368
368
368
368
369
369
369
369
369
369
369
369
370
370
370
370
370
370
370
370
370
370
370
370
371
371
371
371
371
371
372
372
372

84.034
84.924
84.889
79.991
79.407
79.323
79.711
78.030
77.604
78.790
78.749
77.375
76.554
79.814
77.170
76.043
76.620
77.810
75.319
75.778
76.226
75.379
74.177
76.194
76.916
76.814
76.022
75.429
75.872
76.957
75.924
75.022
75.274
74.832
73.655
74.619
75.364
74.540
74.745
75.800
75.589
75.905
76.892
76.498
76.081
76.053
75.678
75.606
75.233
75.191
74.738
74.999
75.138
74.996
74.430
74.079
74.310
75.561
75.473
74.019

10.130
11.722
11.148
10.130
10.055
11.441
12.438
9.393
8.936
11.500
12.734
13.019
12.125
12.635
14.301
14.839
15.453
15.781
15.906
15.600
16.115
17.319
17.191
15.012
13.868
15.480
18.478
19.725
19.900
19.448
20.912
20.508
20.645
22.023
22.385
19.483
18.165
19.763
16.900
22.696
23.971
23.777
23.132
25.058
25.475
24.555
26.783
24.932
27.168
26.239
26.614
24.275
24.237
25.643
26.542
23.310
21.531
25.802
27.049
27.308

71.018
72.161
70.963
70.854
69.499
68.852
69.465
69.598
68.312
67.640
66.842
66.224
66.013
65.748
65.978
65.199
63.916
63.856
66.026
62.907
61.598
61.183
60.947
60.526
60.993
59.204
61.190
60.667
59.210
58.843
61.491
58.393
56.943
56.437
56.523
56.155
56.441
54.641
55.833
55.835
55.128
53.647
53.290
55.707
57.119
58.164
57.345
59.416
58.601
59.630
60.846
52.825
51.358
50.771
51.405
50.754
51.120
49.580
48.799
48.376

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.84
0.84
0.84
0.84
0.84
0.84
0.87
0.87
0.87
0.87
0.87
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.88
0.88
0.88

C
C
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
S
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

5946
5947
5948
5949
5950
5951
5952
5953
5954
5955
5956
5957
5958
5959
5960
5961
5962
5963
5964
5965
5966
5967
5968
5969
5970
5971
5972
5973
5974
5975
5976
5977
5978
5979
5980
5981
5982
5983
5984
5985
5986
5987
5988
5989
5990
5991
5992
5993
5994
5995
5996
5997
5998
5999
6000
6001
6002
6003
6004
6005

O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2

LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

372
372
372
372
372
373
373
373
373
373
373
373
373
374
374
374
374
375
375
375
375
375
375
376
376
376
376
377
377
377
377
377
377
377
377
377
378
378
378
378
378
378
378
378
379
379
379
379
379
379
379
379
380
380
380
380
380
380
380
380

73.430
76.361
76.485
77.450
76.915
73.438
72.042
71.874
72.245
71.161
70.681
69.733
71.079
71.328
71.009
72.139
73.336
71.719
72.637
72.428
71.653
72.427
72.669
73.299
73.234
74.422
75.497
74.156
75.133
74.591
73.413
75.177
75.275
76.694
77.422
77.064
75.459
74.992
74.199
74.641
76.239
75.943
77.076
75.864
73.019
72.082
72.083
72.070
70.635
70.202
70.453
70.822
72.080
71.876
72.876
73.334
70.430
69.755
70.146
68.597

26.527
26.934
28.261
29.225
28.009
28.348
28.730
30.235
31.011
28.270
26.832
26.263
25.733
30.603
32.006
32.978
32.671
34.144
35.258
35.784
35.205
36.390
35.881
36.726
37.392
36.944
36.624
36.866
36.421
35.108
34.812
37.445
38.901
39.357
38.820
40.429
34.267
33.105
33.658
34.599
32.322
30.945
30.001
31.017
33.096
33.672
33.024
33.717
33.698
34.987
36.243
35.110
31.695
30.947
29.817
29.156
30.442
30.853
31.826
30.306

47.625
47.557
46.798
47.488
45.355
48.954
48.680
48.501
49.381
49.835
49.668
51.123
52.159
47.332
47.009
47.383
47.300
47.840
48.155
49.575
50.320
47.152
45.842
49.957
51.268
52.119
51.608
53.407
54.419
54.993
54.848
55.558
55.085
54.752
53.933
55.414
55.543
56.324
57.525
58.182
56.743
57.339
56.943
58.867
57.766
58.755
60.139
61.155
58.238
57.520
58.360
56.133
60.150
61.392
61.602
60.659
61.452
62.765
63.593
63.296

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.85
0.85
0.85
0.85
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77

O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6006
6007
6008
6009
6010
6011
6012
6013
6014
6015
6016
6017
6018
6019
6020
6021
6022
6023
6024
6025
6026
6027
6028
6029
6030
6031
6032
6033
6034
6035
6036
6037
6038
6039
6040
6041
6042
6043
6044
6045
6046
6047
6048
6049
6050
6051
6052
6053
6054
6055
6056
6057
6058
6059
6060
6061
6062
6063
6064
6065

NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG

TRP
TRP
TRP
TRP
TRP
TRP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
MET
MET
MET
MET
MET
MET

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B

380
380
380
380
380
380
381
381
381
381
381
381
381
381
382
382
382
382
382
382
382
383
383
383
383
383
383
383
384
384
384
384
384
384
384
385
385
385
385
386
386
386
386
386
386
386
387
387
387
387
387
387
387
387
388
388
388
388
388
388

69.294
68.331
67.714
67.186
66.557
66.294
73.194
74.116
73.349
72.125
74.927
74.062
73.033
74.438
74.121
73.596
73.962
75.060
74.169
73.828
73.606
72.978
73.119
72.748
72.029
72.244
72.592
70.741
73.145
72.867
71.564
70.903
74.030
74.114
75.369
71.319
70.137
70.278
69.490
71.307
71.570
72.088
73.068
72.548
72.914
71.947
71.502
71.960
72.509
71.759
70.771
71.106
72.181
70.239
73.787
74.476
74.041
74.262
75.997
76.490

31.920
31.013
29.323
30.740
29.062
29.769
29.645
28.609
27.332
27.347
29.162
29.603
30.268
29.267
26.320
24.995
24.680
24.967
23.918
24.248
22.523
24.097
23.518
22.030
21.640
24.272
25.765
24.097
21.240
19.788
19.452
18.472
18.950
19.097
19.322
20.220
20.056
18.888
18.750
18.071
16.885
17.299
18.034
15.934
14.697
15.453
16.630
16.638
15.231
14.256
16.959
16.954
16.420
17.398
15.185
13.901
13.136
11.929
14.060
14.386

64.607
64.458
62.857
65.191
63.582
64.750
62.865
63.360
63.747
63.896
64.544
65.730
65.478
66.873
64.105
64.471
65.920
66.403
63.535
62.191
63.821
66.580
67.925
67.813
66.892
68.949
68.990
68.709
68.792
68.738
69.475
69.142
69.288
70.710
68.643
70.556
71.424
72.414
73.347
72.210
73.043
74.426
74.562
72.330
73.162
71.010
75.404
76.799
77.081
77.124
77.715
79.214
79.580
79.988
77.442
77.689
78.950
79.033
77.662
76.249

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.77
0.77
0.77
0.77
0.77
0.77
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.66
0.66
0.66
0.66
0.66
0.66

N
C
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6066
6067
6068
6069
6070
6071
6072
6073
6074
6075
6076
6077
6078
6079
6080
6081
6082
6083
6084
6085
6086
6087
6088
6089
6090
6091
6092
6093
6094
6095
6096
6097
6098
6099
6100
6101
6102
6103
6104
6105
6106
6107
6108
6109
6110
6111
6112
6113
6114
6115
6116
6117
6118
6119
6120
6121
6122
6123
6124
6125

SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
OXT
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O

MET
MET
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR

B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
B
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

388
388
389
389
389
389
389
390
390
390
390
390
390
390
390
390
390
1
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2
3
3
3
3
3
3
3
3
3
4
4
4
4
4
4
4
4
4
4
4
4
4
4
5
5
5
5

78.308
78.524
73.418
72.930
71.548
71.006
72.922
71.007
69.720
69.869
70.964
68.896
68.604
67.635
68.013
68.873

14.278
12.510
13.834
13.220
12.549
12.029
14.279
12.514
11.842
10.374
10.030
12.644
14.085
14.735
14.177
9.631

76.071
76.067
79.901
81.152
81.028
82.002
82.258
79.811
79.548
79.118
78.618
78.532
78.985
78.005
80.396
79.279

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.66
0.66
0.61
0.61
0.61
0.61
0.61
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58

S
C
N
C
C
O
C
N
C
C
O
C
C
C
C
O

63.369
63.542
65.051
65.892
62.767
63.542
63.782
64.693
62.946
65.401
66.792
67.269
66.515
66.749
65.333
64.513
68.543
69.204
69.517
69.403
70.453
71.252
71.921
71.208
73.144
69.757
70.125
71.575
72.447
69.973
68.539
68.163
67.455
66.903
66.435
67.245
65.201
66.008
64.990
71.792
73.134
73.978
73.509

-11.112
-11.461
-11.555
-11.480
-12.773
-14.069
-14.307
-13.669
-15.042
-11.720
-11.986
-13.327
-14.060
-12.000
-12.475
-11.752
-13.598
-14.828
-15.784
-15.412
-14.448
-13.248
-13.509
-13.407
-13.746
-17.045
-18.050
-17.841
-17.514
-19.470
-19.835
-20.269
-19.993
-20.696
-20.545
-19.704
-20.816
-19.961
-20.515
-18.017
-17.917
-19.160
-20.297

29.617
31.039
31.407
30.503
31.293
31.018
29.530
28.956
28.968
32.692
33.102
32.526
31.900
34.631
34.939
33.876
32.713
32.235
33.396
34.565
31.419
31.959
33.310
34.332
33.281
33.062
34.077
34.526
33.717
33.530
33.139
31.938
33.985
31.988
33.225
35.328
33.795
35.891
35.134
35.822
36.431
36.121
36.183

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90

N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6126
6127
6128
6129
6130
6131
6132
6133
6134
6135
6136
6137
6138
6139
6140
6141
6142
6143
6144
6145
6146
6147
6148
6149
6150
6151
6152
6153
6154
6155
6156
6157
6158
6159
6160
6161
6162
6163
6164
6165
6166
6167
6168
6169
6170
6171
6172
6173
6174
6175
6176
6177
6178
6179
6180
6181
6182
6183
6184
6185

CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD

THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
GLN
GLN
GLN
GLN
GLN
GLN
GLN

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

5
5
5
6
6
6
6
6
6
6
6
6
6
6
6
7
7
7
7
7
7
7
8
8
8
8
8
8
8
8
8
8
8
9
9
9
9
9
9
9
9
10
10
10
10
10
10
11
11
11
11
11
11
12
12
12
12
12
12
12

73.017
72.707
74.230
75.250
76.327
77.544
77.681
76.739
75.654
74.608
75.763
73.667
74.827
73.785
72.876
78.375
79.666
80.637
80.744
80.139
79.514
78.155
81.258
82.279
83.652
83.765
82.015
80.619
79.806
79.807
79.816
79.902
79.585
84.710
85.998
85.997
85.322
87.185
87.277
88.632
87.076
86.621
86.805
87.572
88.312
87.584
86.846
87.267
88.000
89.427
89.647
87.324
85.605
90.386
91.790
92.077
91.673
92.759
94.240
94.577

-17.625
-16.239
-17.984
-18.864
-19.853
-19.438
-18.247
-19.925
-20.578
-19.805
-21.915
-20.368
-22.481
-21.702
-22.241
-20.397
-20.092
-19.540
-20.052
-21.426
-22.464
-21.857
-18.430
-17.776
-18.067
-18.883
-16.266
-15.961
-15.157
-13.738
-12.701
-12.858
-11.495
-17.425
-17.542
-16.647
-15.613
-17.229
-18.150
-17.936
-19.639
-17.150
-16.351
-15.063
-14.992
-17.154
-18.342
-14.015
-12.741
-13.000
-13.855
-11.679
-11.296
-12.337
-12.554
-11.996
-10.890
-12.018
-12.235
-13.662

37.942
38.100
38.812
35.889
35.718
36.557
36.865
34.245
33.391
32.905
33.037
32.058
32.182
31.689
30.839
36.978
37.614
36.564
35.448
38.192
37.264
36.907
36.926
36.080
36.702
37.603
36.040
35.494
36.505
36.125
36.957
38.271
36.475
36.228
36.932
38.167
38.208
36.018
34.790
34.118
35.108
39.222
40.448
40.124
39.136
41.490
41.792
40.870
40.783
41.271
42.135
41.652
41.152
40.641
41.016
42.417
42.772
39.951
40.318
40.783

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.90
0.90
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.90
0.81
0.81
0.81
0.81
0.81
0.81
0.81

C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6186
6187
6188
6189
6190
6191
6192
6193
6194
6195
6196
6197
6198
6199
6200
6201
6202
6203
6204
6205
6206
6207
6208
6209
6210
6211
6212
6213
6214
6215
6216
6217
6218
6219
6220
6221
6222
6223
6224
6225
6226
6227
6228
6229
6230
6231
6232
6233
6234
6235
6236
6237
6238
6239
6240
6241
6242
6243
6244
6245

OE1
NE2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1

GLN
GLN
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

12
12
13
13
13
13
14
14
14
14
14
14
15
15
15
15
15
15
15
16
16
16
16
16
16
16
16
16
16
16
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
18
18
18
19
19
19
19
19
20
20
20
20
20
20
20

95.165
94.097
92.787
93.290
94.104
94.189
94.560
95.389
95.211
95.468
96.873
97.358
94.790
94.518
93.077
92.376
95.535
95.395
95.387
92.685
91.398
91.619
92.583
90.671
89.948
90.493
88.682
89.766
87.957
88.499
90.673
90.718
89.341
88.321
91.115
92.457
93.717
94.832
93.582
89.343
88.109
87.368
87.997
88.510
87.306
87.782
86.601
87.086
86.068
85.257
84.089
83.879
84.738
83.451
82.212
81.897
82.282
81.068
79.691
79.661

-13.884
-14.658
-12.840
-12.577
-13.810
-14.797
-13.807
-14.918
-15.199
-16.308
-14.726
-13.488
-14.174
-14.301
-13.900
-13.267
-13.475
-13.796
-11.965
-14.269
-13.873
-12.867
-12.941
-15.073
-15.958
-16.288
-16.417
-17.065
-17.194
-17.515
-11.949
-10.863
-10.716
-10.984
-9.559
-9.655
-9.772
-9.757
-9.797
-10.330
-9.980
-8.910
-8.006
-9.415
-9.110
-8.477
-8.162
-7.533
-9.098
-8.244
-7.572
-6.370
-9.091
-8.331
-7.919
-8.858
-10.033
-7.950
-7.564
-6.123

41.826
40.069
43.157
44.512
44.912
44.175
46.149
46.664
48.157
48.613
46.324
46.853
48.892
50.334
50.674
49.878
51.141
52.525
50.930
51.882
52.472
53.596
54.357
53.067
52.052
50.816
52.391
49.927
51.498
50.261
53.689
54.681
55.326
54.685
53.975
53.228
54.100
53.614
55.411
56.601
57.331
56.513
55.968
58.697
59.590
60.894
61.810
63.043
56.365
55.477
56.196
56.055
54.312
57.084
57.754
58.922
58.926
56.725
57.279
57.795

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79

O
N
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6246
6247
6248
6249
6250
6251
6252
6253
6254
6255
6256
6257
6258
6259
6260
6261
6262
6263
6264
6265
6266
6267
6268
6269
6270
6271
6272
6273
6274
6275
6276
6277
6278
6279
6280
6281
6282
6283
6284
6285
6286
6287
6288
6289
6290
6291
6292
6293
6294
6295
6296
6297
6298
6299
6300
6301
6302
6303
6304
6305

CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1

LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
23
23
23
23
23
23
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
25
25
26
26
26
26
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
27

78.629
81.312
80.771
79.317
78.973
81.630
81.047
81.014
81.814
78.499
77.092
76.907
76.720
76.131
76.361
74.657
76.169
77.047
76.860
75.610
75.702
78.136
78.011
74.424
73.118
72.973
72.394
72.093
72.772
74.211
73.602
73.507
74.402
74.316
73.761
72.748
71.502
72.882
70.852
71.707
75.170
75.793
74.717
74.949
76.653
77.967
78.995
79.532
80.290
80.618
80.762
73.503
72.320
71.169
69.996
71.839
72.962
73.520
73.379
74.501

-7.762
-8.244
-8.935
-8.500
-7.324
-8.581
-9.070
-10.599
-8.443
-9.475
-9.244
-9.785
-10.991
-9.911
-9.423
-9.746
-7.914
-8.886
-9.243
-8.533
-7.522
-8.932
-9.458
-9.092
-8.508
-8.282
-7.290
-9.547
-10.251
-10.344
-9.157
-9.149
-8.107
-7.906
-10.558
-11.543
-11.709
-12.223
-12.457
-12.775
-7.371
-6.105
-5.077
-4.194
-5.521
-6.282
-5.961
-4.600
-3.936
-4.467
-2.734
-5.327
-4.468
-5.205
-4.913
-4.024
-3.512
-2.265
-4.285
-1.781

56.200
59.938
61.114
61.325
61.185
62.335
63.668
63.766
64.829
61.694
62.064
63.481
63.665
61.057
59.614
61.466
59.386
64.445
65.861
66.417
67.120
66.644
67.963
66.120
66.490
68.002
68.440
66.035
64.870
65.365
68.782
70.255
70.942
72.155
70.799
70.215
70.641
69.077
69.765
68.794
70.133
70.575
70.967
71.788
69.451
69.250
70.334
70.148
71.019
72.189
70.717
70.469
70.643
71.360
71.133
69.255
68.358
68.596
67.282
67.744

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84

C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6306
6307
6308
6309
6310
6311
6312
6313
6314
6315
6316
6317
6318
6319
6320
6321
6322
6323
6324
6325
6326
6327
6328
6329
6330
6331
6332
6333
6334
6335
6336
6337
6338
6339
6340
6341
6342
6343
6344
6345
6346
6347
6348
6349
6350
6351
6352
6353
6354
6355
6356
6357
6358
6359
6360
6361
6362
6363
6364
6365

CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB

PHE
PHE
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
PRO
PRO
PRO
PRO
PRO

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

27
27
28
28
28
28
29
29
29
29
29
29
29
29
29
30
30
30
30
30
30
30
30
31
31
31
31
31
31
31
31
31
32
32
32
32
33
33
33
33
33
33
33
33
34
34
34
34
34
34
35
35
35
35
35
36
36
36
36
36

74.356
74.916
71.515
70.498
70.471
69.925
71.048
71.115
69.690
68.827
71.986
73.397
73.474
72.948
74.013
69.503
68.212
67.933
66.810
68.231
68.531
66.896
68.846
68.995
68.940
68.831
68.599
70.117
71.501
72.609
72.514
73.519
69.248
69.147
67.678
66.819
67.474
66.135
66.007
65.431
65.759
65.477
64.965
65.820
66.663
66.636
66.084
65.829
68.019
68.390
65.854
65.308
65.864
65.200
63.774
67.140
67.750
67.141
66.914
69.238

-3.797
-2.545
-6.117
-6.924
-6.716
-7.534
-5.615
-5.272
-5.013
-4.586
-4.034
-4.134
-3.524
-4.153
-2.404
-5.212
-4.925
-3.411
-2.982
-5.418
-6.926
-5.101
-7.450
-2.640
-1.169
-0.613
0.576
-0.532
-1.050
-0.220
-0.183
0.722
-1.451
-1.131
-1.091
-1.700
-0.510
-0.411
-1.169
-0.696
1.059
1.808
1.289
3.072
-2.320
-3.144
-4.549
-4.948
-3.209
-1.910
-5.265
-6.634
-7.501
-7.692
-6.566
-7.900
-8.855
-10.240
-10.651
-8.825

66.427
66.658
72.278
72.990
74.509
75.251
74.971
76.403
76.909
76.144
76.670
76.076
74.671
73.734
74.577
78.206
78.870
78.801
78.578
80.329
80.381
81.029
81.786
79.018
78.928
77.498
77.318
79.665
79.247
79.898
81.425
81.988
76.532
75.096
74.641
75.269
73.462
72.834
71.501
70.516
72.631
73.930
74.905
73.926
71.423
70.200
70.449
71.580
69.546
69.082
69.356
69.411
68.265
67.234
69.423
68.377
67.441
67.668
68.812
67.785

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.81
0.81
0.81
0.81
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.79
0.79
0.79
0.79
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.88

C
C
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6366
6367
6368
6369
6370
6371
6372
6373
6374
6375
6376
6377
6378
6379
6380
6381
6382
6383
6384
6385
6386
6387
6388
6389
6390
6391
6392
6393
6394
6395
6396
6397
6398
6399
6400
6401
6402
6403
6404
6405
6406
6407
6408
6409
6410
6411
6412
6413
6414
6415
6416
6417
6418
6419
6420
6421
6422
6423
6424
6425

CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1

PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

36
36
37
37
37
37
37
37
37
37
38
38
38
38
38
38
38
38
39
39
39
39
39
39
39
39
40
40
40
40
40
40
40
40
40
40
40
41
41
41
41
41
41
41
41
41
42
42
42
42
42
42
42
43
43
43
43
43
43
43

69.276
68.137
66.760
66.233
67.264
68.471
65.816
64.575
64.354
63.324
66.761
67.559
67.635
66.619
66.934
67.008
67.575
66.364
68.833
69.033
70.180
70.953
69.235
70.637
68.116
71.080
70.372
71.436
71.395
70.506
71.235
72.080
73.500
73.542
74.261
75.056
74.247
72.443
72.679
72.507
71.611
71.793
71.996
71.366
70.372
71.888
73.249
73.233
74.038
74.939
73.892
74.936
74.216
73.679
74.386
74.021
73.038
74.074
72.652
72.410

-8.471
-7.461
-10.872
-12.250
-13.244
-13.086
-12.694
-11.967
-12.392
-12.330
-14.217
-15.354
-16.404
-17.027
-15.948
-14.937
-17.299
-15.412
-16.631
-17.560
-18.558
-18.427
-16.781
-16.160
-15.764
-15.123
-19.388
-20.400
-20.922
-20.544
-21.551
-21.364
-21.901
-23.352
-24.276
-23.982
-25.532
-21.645
-22.107
-20.965
-21.022
-23.304
-24.571
-24.509
-23.768
-25.239
-19.857
-18.757
-19.180
-20.021
-17.586
-18.269
-19.545
-18.581
-18.770
-17.627
-16.910
-20.140
-20.275
-19.924

69.269
69.379
66.568
66.607
67.157
66.961
65.203
64.679
63.234
65.482
67.904
68.405
67.286
66.962
69.683
70.840
70.046
72.151
66.785
65.654
65.901
66.847
64.330
64.157
64.052
65.196
64.882
64.730
63.291
62.515
65.724
66.986
66.813
67.069
66.426
65.415
66.844
62.908
61.519
60.479
59.630
61.131
61.966
63.364
63.542
64.227
60.632
59.658
58.428
58.508
60.389
61.265
61.700
57.309
56.032
55.084
55.291
55.406
54.854
53.531

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87

C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6426
6427
6428
6429
6430
6431
6432
6433
6434
6435
6436
6437
6438
6439
6440
6441
6442
6443
6444
6445
6446
6447
6448
6449
6450
6451
6452
6453
6454
6455
6456
6457
6458
6459
6460
6461
6462
6463
6464
6465
6466
6467
6468
6469
6470
6471
6472
6473
6474
6475
6476
6477
6478
6479
6480
6481
6482
6483
6484
6485

CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C

PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

43
43
43
43
44
44
44
44
44
44
44
45
45
45
45
45
46
46
46
46
46
46
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
50
51
51
51
51
51
51
52
52
52

71.641
71.157
70.387
70.146
74.872
74.675
74.604
75.358
75.805
75.587
75.947
73.660
73.502
73.323
72.733
72.291
73.899
73.871
73.161
72.998
75.304
76.325
72.673
72.171
73.071
74.055
72.669
73.384
73.412
74.370
72.605
72.004
71.621
72.385
72.155
72.387
72.513
70.737
70.527
71.305
70.618
69.306
72.408
72.609
72.811
72.357
71.447
70.097
69.101
69.301
68.168
73.340
73.487
72.515
72.219
74.911
76.219
72.002
71.071
71.612

-20.830
-20.136
-21.044
-20.700
-17.427
-16.344
-16.944
-17.853
-15.299
-14.110
-14.759
-16.419
-16.752
-15.451
-14.494
-17.669
-15.415
-14.218
-14.494
-15.638
-13.758
-13.459
-13.395
-13.336
-12.388
-11.869
-12.070
-11.094
-9.681
-8.940
-11.083
-12.484
-12.760
-9.364
-7.993
-7.798
-6.663
-7.552
-7.576
-6.484
-5.118
-5.145
-8.893
-8.824
-10.186
-11.209
-8.119
-8.844
-8.325
-7.205
-9.097
-10.105
-11.247
-11.058
-9.931
-11.261
-11.449
-12.172
-12.172
-13.078

55.629
52.974
55.069
53.743
54.091
53.111
51.702
51.355
53.225
52.281
54.653
50.934
49.509
48.723
49.229
49.337
47.531
46.674
45.347
44.910
46.388
47.878
44.787
43.411
42.596
43.132
41.360
40.511
41.117
40.931
39.195
39.128
40.580
41.907
42.398
43.902
44.353
42.009
40.487
39.741
39.842
39.178
44.668
46.128
46.795
46.289
46.841
46.766
47.810
48.330
48.105
48.006
48.920
50.089
50.504
49.472
48.209
50.578
51.718
52.820

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.93
0.93
0.93
0.93
0.93
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.89
0.89
0.89
0.89
0.89
0.89
0.86
0.86
0.86

C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6486
6487
6488
6489
6490
6491
6492
6493
6494
6495
6496
6497
6498
6499
6500
6501
6502
6503
6504
6505
6506
6507
6508
6509
6510
6511
6512
6513
6514
6515
6516
6517
6518
6519
6520
6521
6522
6523
6524
6525
6526
6527
6528
6529
6530
6531
6532
6533
6534
6535
6536
6537
6538
6539
6540
6541
6542
6543
6544
6545

O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
53
53
53
54
54
54
54
54
54
54
54
54
54
54
55
55
55
55
55
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
58
58
58
59

72.297
69.665
69.165
67.647
67.112
66.035
65.314
65.652
71.293
71.741
70.563
69.575
72.271
72.917
73.193
73.309
73.743
73.830
70.677
69.650
70.021
71.193
69.493
68.893
69.725
67.518
69.174
66.969
67.796
68.992
69.108
67.788
66.748
69.516
67.876
66.732
66.471
67.216
67.051
66.759
67.435
67.301
65.557
65.194
64.403
63.630
64.436
64.293
63.048
64.527
63.661
62.389
61.772
64.441
65.107
66.379
64.479
66.525
65.351
62.052

-14.073
-12.612
-11.777
-11.764
-10.937
-11.214
-12.299
-10.378
-12.683
-13.362
-14.145
-13.552
-12.290
-12.830
-12.089
-14.079
-12.881
-14.113
-15.458
-16.416
-17.036
-17.057
-17.542
-17.051
-16.586
-17.095
-16.159
-16.667
-16.196
-17.513
-18.155
-18.810
-18.620
-17.116
-19.587
-20.286
-19.695
-19.923
-21.779
-22.636
-22.147
-24.029
-18.738
-18.094
-19.073
-19.888
-16.770
-16.098
-16.952
-18.877
-19.554
-18.748
-18.877
-19.815
-21.185
-21.447
-22.331
-22.767
-23.311
-17.856

52.554
51.298
50.116
49.989
51.084
51.812
51.568
52.769
54.038
55.257
55.849
56.289
56.217
57.498
58.567
57.762
59.481
58.985
55.733
56.187
57.534
57.923
55.164
53.848
52.836
53.664
51.635
52.462
51.448
58.224
59.549
59.969
59.335
60.602
61.040
61.649
63.033
63.988
61.769
60.533
59.251
60.826
63.062
64.337
65.215
64.707
64.124
65.379
63.501
66.519
67.504
67.800
68.855
68.794
68.760
68.472
68.993
68.511
68.841
66.862

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81

O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
N
C
C
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6546
6547
6548
6549
6550
6551
6552
6553
6554
6555
6556
6557
6558
6559
6560
6561
6562
6563
6564
6565
6566
6567
6568
6569
6570
6571
6572
6573
6574
6575
6576
6577
6578
6579
6580
6581
6582
6583
6584
6585
6586
6587
6588
6589
6590
6591
6592
6593
6594
6595
6596
6597
6598
6599
6600
6601
6602
6603
6604
6605

CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

59
59
59
59
59
59
59
59
59
59
59
60
60
60
60
60
61
61
61
61
61
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
64
64
64
64
65
65
65
65
66
66
66
66
66
66
66
66
66
66
66
66
67
67
67

60.865
60.798
59.734
59.615
58.607
57.859
58.458
56.971
57.563
56.824
55.956
61.974
62.127
63.269
64.160
62.404
63.168
64.162
64.824
64.357
63.481
65.954
66.707
66.731
67.052
68.139
68.868
70.357
70.927
71.009
66.367
65.829
64.375
63.661
65.959
65.772
66.482
64.003
62.644
62.395
63.194
61.316
60.914
60.683
60.080
61.214
61.058
62.416
62.678
60.168
58.775
57.808
58.446
56.509
57.148
56.178
54.922
63.308
64.666
64.727

-16.985
-16.155
-15.908
-17.860
-17.193
-16.105
-17.677
-15.491
-17.071
-15.974
-15.360
-15.794
-14.989
-13.986
-14.193
-15.907
-12.874
-11.787
-11.530
-12.011
-10.516
-10.835
-10.436
-8.897
-8.230
-10.966
-10.790
-10.476
-10.384
-10.252
-8.375
-9.133
-9.552
-8.932
-8.177
-6.805
-6.941
-10.657
-11.217
-12.174
-12.242
-12.951
-13.894
-15.338
-16.118
-15.692
-17.054
-17.718
-18.228
-17.030
-16.452
-17.209
-15.215
-16.732
-14.735
-15.496
-14.996
-17.639
-18.208
-19.730

66.915
68.217
68.779
66.740
65.812
66.238
64.522
65.371
63.651
64.077
63.235
68.725
69.950
69.764
68.935
71.146
70.477
70.408
71.767
72.803
69.892
71.710
72.909
73.029
72.047
72.819
74.155
73.997
72.921
75.112
74.205
75.350
75.090
74.300
76.534
75.887
74.538
75.733
75.635
76.802
77.736
76.677
77.740
77.276
78.006
76.107
75.554
75.264
74.177
74.303
74.560
75.209
74.024
75.316
74.132
74.771
74.918
76.251
76.128
76.239

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.86
0.86
0.86
0.86
0.86
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.73
0.73
0.73
0.73
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.69
0.69
0.69

C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6606
6607
6608
6609
6610
6611
6612
6613
6614
6615
6616
6617
6618
6619
6620
6621
6622
6623
6624
6625
6626
6627
6628
6629
6630
6631
6632
6633
6634
6635
6636
6637
6638
6639
6640
6641
6642
6643
6644
6645
6646
6647
6648
6649
6650
6651
6652
6653
6654
6655
6656
6657
6658
6659
6660
6661
6662
6663
6664
6665

O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
THR
THR
THR
THR
THR
THR
THR
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ARG
ARG
ARG
ARG

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

67
67
67
67
67
67
67
67
67
68
68
68
68
68
68
68
68
69
69
69
69
70
70
70
70
70
70
70
71
71
71
71
71
71
71
71
71
71
71
72
72
72
72
72
72
72
72
72
73
73
73
73
73
73
73
73
74
74
74
74

65.590
65.638
65.860
65.643
66.357
65.912
66.635
66.411
66.657
63.832
63.788
63.453
62.483
62.732
62.826
62.702
63.068
64.306
64.135
65.039
65.354
65.571
66.459
67.715
68.256
66.912
67.622
65.732
68.182
69.369
69.136
70.096
69.867
71.384
71.931
73.397
74.197
73.717
75.488
67.888
67.546
67.406
67.279
66.313
64.973
63.835
62.476
61.423
67.338
67.364
65.990
65.823
68.278
69.673
70.494
69.877
65.061
63.788
62.554
62.475

-20.375
-17.594
-16.090
-15.455
-15.364
-14.104
-14.012
-13.384
-12.058
-20.302
-21.761
-22.397
-22.019
-22.113
-23.567
-23.860
-24.500
-23.351
-24.035
-23.475
-24.200
-22.268
-21.631
-22.463
-22.425
-20.234
-20.336
-19.256
-23.183
-24.038
-25.322
-25.932
-24.341
-24.468
-24.650
-24.692
-25.552
-26.464
-25.565
-25.796
-26.984
-26.640
-25.486
-27.729
-27.028
-28.009
-27.334
-28.357
-27.677
-27.505
-27.562
-27.025
-28.560
-28.582
-27.722
-29.486
-28.329
-28.625
-28.371
-28.823

75.659
77.137
76.949
75.726
78.021
75.581
77.877
76.658
76.523
77.036
77.199
75.840
75.189
78.249
78.728
79.903
77.826
75.445
74.150
73.043
72.108
73.225
72.224
71.923
70.827
72.663
73.905
72.705
72.942
72.826
72.005
71.541
74.235
74.203
75.613
75.689
75.059
74.225
75.305
71.960
71.151
69.657
69.285
71.683
71.452
71.699
71.541
71.551
68.829
67.361
66.676
65.587
66.727
67.357
66.981
68.199
67.245
66.561
67.419
68.563

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.74
0.74
0.74
0.74
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.72
0.72
0.72
0.72

O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6666
6667
6668
6669
6670
6671
6672
6673
6674
6675
6676
6677
6678
6679
6680
6681
6682
6683
6684
6685
6686
6687
6688
6689
6690
6691
6692
6693
6694
6695
6696
6697
6698
6699
6700
6701
6702
6703
6704
6705
6706
6707
6708
6709
6710
6711
6712
6713
6714
6715
6716
6717
6718
6719
6720
6721
6722
6723
6724
6725

CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

74
74
74
74
74
74
74
75
75
75
75
75
75
75
75
76
76
76
76
76
76
76
76
76
77
77
77
77
77
77
77
77
78
78
78
78
78
78
78
78
78
78
78
79
79
79
79
79
79
79
79
79
79
80
80
80
80
80
80
80

63.795
64.744
64.895
65.914
65.674
64.442
66.675
61.581
60.267
59.366
59.823
60.408
61.084
60.685
62.044
58.100
57.050
57.152
56.357
55.672
55.486
54.119
54.027
52.720
58.073
58.278
59.335
59.142
58.552
57.300
56.217
56.770
60.391
61.530
61.145
60.326
62.682
63.300
64.658
65.727
67.002
67.416
67.919
61.688
61.478
62.789
63.686
60.531
59.058
58.407
58.167
57.126
56.969
62.808
63.865
63.628
62.633
63.836
64.901
66.314

-30.073
-30.223
-31.676
-32.330
-33.170
-33.456
-33.786
-27.719
-27.400
-26.690
-26.223
-26.543
-25.196
-24.436
-24.856
-26.569
-25.958
-24.430
-23.837
-26.346
-27.864
-28.247
-29.761
-30.126
-23.789
-22.334
-21.881
-20.845
-21.654
-21.353
-20.613
-22.610
-22.666
-22.234
-21.921
-22.601
-23.238
-23.412
-24.098
-23.122
-23.425
-24.681
-22.473
-20.801
-20.286
-19.874
-19.316
-19.082
-19.492
-20.066
-19.228
-20.162
-19.636
-20.089
-19.601
-18.114
-17.744
-20.431
-20.013
-20.375

66.071
64.881
64.440
65.277
66.281
66.655
66.889
66.793
67.390
66.370
65.327
68.661
68.407
67.534
69.232
66.747
65.906
65.736
65.010
66.450
66.477
67.032
67.208
67.766
66.453
66.328
65.320
64.682
67.677
68.517
67.719
69.206
65.128
64.292
62.842
62.215
64.281
65.667
65.560
65.267
65.014
64.933
64.926
62.390
61.025
60.352
60.990
61.055
61.084
62.091
60.133
61.755
60.540
59.043
58.142
57.838
57.205
56.853
55.830
56.292

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85

C
C
C
N
C
N
N
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6726
6727
6728
6729
6730
6731
6732
6733
6734
6735
6736
6737
6738
6739
6740
6741
6742
6743
6744
6745
6746
6747
6748
6749
6750
6751
6752
6753
6754
6755
6756
6757
6758
6759
6760
6761
6762
6763
6764
6765
6766
6767
6768
6769
6770
6771
6772
6773
6774
6775
6776
6777
6778
6779
6780
6781
6782
6783
6784
6785

CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N

LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

80
81
81
81
81
81
81
81
82
82
82
82
82
82
83
83
83
83
83
83
83
84
84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86
86
87
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
89

64.596
64.496
64.434
65.610
66.619
64.394
63.100
65.622
65.478
66.561
66.429
65.334
66.597
65.412
67.588
67.762
68.777
69.537
68.244
67.221
69.619
68.831
69.915
71.252
71.329
69.684
70.775
70.657
71.790
71.737
72.275
73.626
74.133
74.328
74.610
75.976
75.868
76.981
74.190
74.586
73.577
73.912
72.359
71.284
71.327
71.659
69.918
69.811
69.918
68.721
68.726
71.022
70.898
69.578
68.514
71.013
72.332
70.845
73.626
69.667

-20.645
-17.283
-15.817
-15.320
-16.014
-15.082
-15.417
-15.357
-14.089
-13.437
-11.920
-11.357
-13.886
-13.392
-11.315
-9.868
-9.703
-10.631
-9.188
-9.350
-9.684
-8.522
-8.221
-8.252
-7.804
-6.839
-6.501
-5.061
-4.732
-5.601
-8.806
-8.831
-7.407
-6.612
-9.575
-9.750
-10.606
-10.357
-7.112
-5.776
-5.187
-4.288
-5.717
-5.309
-6.214
-7.401
-5.483
-4.805
-3.278
-2.624
-1.179
-5.621
-6.371
-7.168
-6.576
-5.442
-4.645
-6.205
-5.476
-8.498

54.472
58.386
58.215
57.372
57.220
59.568
60.309
60.450
56.900
56.147
56.155
56.220
54.688
54.085
56.053
55.851
54.713
54.424
57.150
58.277
57.616
54.116
53.162
53.924
55.074
52.552
51.537
51.046
50.071
48.887
53.283
53.866
54.156
53.242
52.956
53.634
54.901
52.655
55.459
55.951
56.945
57.720
56.923
57.843
59.076
58.982
57.166
55.793
55.824
56.510
56.261
60.222
61.486
61.457
61.256
62.712
62.702
64.039
62.755
61.601

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89

C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6786
6787
6788
6789
6790
6791
6792
6793
6794
6795
6796
6797
6798
6799
6800
6801
6802
6803
6804
6805
6806
6807
6808
6809
6810
6811
6812
6813
6814
6815
6816
6817
6818
6819
6820
6821
6822
6823
6824
6825
6826
6827
6828
6829
6830
6831
6832
6833
6834
6835
6836
6837
6838
6839
6840
6841
6842
6843
6844
6845

CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1

PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

89
89
89
89
89
89
90
90
90
90
90
90
90
91
91
91
91
91
91
91
92
92
92
92
92
92
92
92
92
93
93
93
93
93
93
93
93
94
94
94
94
94
94
95
95
95
95
95
95
95
95
96
96
96
96
96
96
96
96
96

68.499
67.641
67.834
69.086
70.460
70.914
66.690
65.787
64.348
64.056
65.890
65.525
67.277
63.451
62.011
61.457
61.027
61.183
59.674
61.620
61.524
60.999
61.844
61.301
60.887
59.953
59.693
60.504
58.614
63.171
64.090
63.954
64.029
65.549
66.124
67.324
65.266
63.806
63.700
62.394
61.358
63.835
65.133
62.522
61.413
61.321
62.309
61.623
60.512
62.944
59.239
60.188
59.933
59.505
58.499
58.864
59.373
59.604
59.558
60.024

-9.401
-9.155
-9.741
-10.815
-10.650
-9.282
-8.247
-7.874
-8.216
-8.343
-6.377
-5.627
-5.985
-8.219
-8.523
-7.851
-8.521
-8.094
-8.306
-8.858
-6.521
-5.714
-5.829
-5.823
-4.244
-4.034
-2.552
-1.698
-2.293
-5.849
-5.969
-7.279
-7.287
-5.802
-4.422
-4.217
-3.440
-8.361
-9.725
-9.983
-9.371
-10.741
-10.596
-10.896
-11.444
-12.954
-13.680
-11.126
-11.680
-11.633
-10.843
-13.375
-14.802
-15.502
-15.133
-14.946
-14.476
-13.126
-15.406
-12.709

61.647
62.898
63.966
61.656
61.014
61.515
62.755
63.864
63.483
62.296
64.179
63.020
64.693
64.467
64.264
62.991
62.060
65.494
65.307
66.745
62.989
61.873
60.599
59.501
62.271
63.466
63.756
63.340
64.328
60.762
59.612
58.833
57.606
60.042
59.714
59.692
59.511
59.583
59.041
58.285
58.543
60.172
60.759
57.336
56.532
56.800
56.635
55.031
54.137
54.456
54.190
57.331
57.602
56.309
55.703
58.689
60.055
60.303
61.069
61.557

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.89
0.89
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81

C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6846
6847
6848
6849
6850
6851
6852
6853
6854
6855
6856
6857
6858
6859
6860
6861
6862
6863
6864
6865
6866
6867
6868
6869
6870
6871
6872
6873
6874
6875
6876
6877
6878
6879
6880
6881
6882
6883
6884
6885
6886
6887
6888
6889
6890
6891
6892
6893
6894
6895
6896
6897
6898
6899
6900
6901
6902
6903
6904
6905

CE2
CZ
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
OG

PHE
PHE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

96
96
97
97
97
97
97
97
97
97
97
97
98
98
98
98
98
98
98
98
99
99
99
99
99
100
100
100
100
100
101
101
101
101
101
101
101
101
101
101
101
101
101
101
102
102
102
102
102
102
103
103
103
103
104
104
104
104
104
104

59.973
60.206
60.277
60.058
59.129
58.314
61.380
62.151
61.839
63.327
62.821
63.733
59.304
58.506
58.937
60.039
58.635
60.005
60.131
60.806
58.060
58.376
59.393
59.232
57.103
60.446
61.538
62.573
62.939
62.273
63.076
64.188
65.454
66.390
63.731
62.874
61.565
63.306
61.151
62.184
64.544
62.291
64.651
63.524
65.508
66.630
66.311
65.159
66.716
67.789
67.326
67.074
68.297
69.437
67.956
68.885
68.170
66.980
69.193
70.042

-14.988
-13.640
-16.515
-17.227
-18.434
-18.679
-17.670
-16.463
-15.748
-16.053
-14.880
-15.101
-19.207
-20.416
-21.044
-20.774
-21.462
-22.141
-23.375
-22.309
-21.883
-22.719
-23.791
-24.438
-23.389
-23.929
-24.890
-24.856
-23.783
-24.563
-26.036
-26.213
-26.792
-27.247
-27.050
-28.258
-28.355
-29.461
-29.566
-30.268
-29.938
-31.555
-31.220
-32.027
-26.621
-26.983
-26.333
-26.387
-28.508
-28.866
-25.737
-24.958
-24.728
-25.036
-24.297
-23.957
-22.922
-22.654
-25.221
-24.923

62.328
62.573
55.935
54.659
54.775
53.893
54.032
53.517
52.444
53.978
52.230
53.159
55.845
56.119
57.448
57.947
54.991
54.921
53.582
52.334
57.981
59.155
58.750
57.713
59.671
59.547
59.290
60.414
60.898
57.984
60.734
61.693
61.036
61.689
62.894
62.505
62.713
61.967
62.343
61.883
61.548
61.371
61.027
60.938
59.717
58.831
57.483
57.044
58.669
57.791
56.849
55.624
54.739
55.086
53.540
52.446
51.572
51.770
51.633
50.522

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.88
0.88
0.88
0.88
0.88
0.88
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92

C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6906
6907
6908
6909
6910
6911
6912
6913
6914
6915
6916
6917
6918
6919
6920
6921
6922
6923
6924
6925
6926
6927
6928
6929
6930
6931
6932
6933
6934
6935
6936
6937
6938
6939
6940
6941
6942
6943
6944
6945
6946
6947
6948
6949
6950
6951
6952
6953
6954
6955
6956
6957
6958
6959
6960
6961
6962
6963
6964
6965

N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1

ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

105
105
105
105
105
106
106
106
106
106
106
107
107
107
107
107
107
107
107
107
107
108
108
108
108
108
108
108
108
109
109
109
109
110
110
110
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
112
112

68.918
68.382
69.434
70.632
67.973
68.950
69.802
68.996
67.827
70.524
69.513
69.689
69.093
69.608
70.812
69.532
68.728
68.984
67.700
68.110
67.317
68.676
68.986
69.289
69.454
67.840
66.484
66.375
65.538
69.258
69.429
68.133
68.176
67.010
65.679
64.939
64.637
64.851
65.601
64.661
65.470
65.148
64.001
65.972
64.651
64.050
64.877
65.868
62.599
61.597
62.048
62.029
62.514
64.420
64.993
64.236
63.017
64.916
65.953
65.741

-22.274
-21.261
-20.897
-21.047
-19.981
-20.505
-20.100
-19.417
-19.735
-21.291
-22.752
-18.531
-17.755
-18.342
-18.480
-16.302
-15.356
-15.075
-14.612
-14.158
-13.877
-18.582
-19.216
-18.233
-18.632
-20.163
-19.472
-18.253
-20.200
-16.942
-15.852
-15.056
-13.886
-15.676
-15.072
-14.812
-13.667
-15.919
-16.005
-16.263
-16.235
-16.827
-17.478
-16.779
-15.883
-15.787
-16.543
-17.210
-16.296
-15.177
-14.276
-14.766
-13.160
-16.456
-17.223
-18.538
-18.626
-16.425
-15.308
-14.015

50.693
49.765
48.723
48.961
50.505
47.556
46.427
45.334
45.110
45.803
45.360
44.642
43.552
42.235
42.019
43.732
42.845
41.573
43.232
41.171
42.194
41.331
40.027
38.879
37.730
39.652
39.461
39.743
39.115
39.218
38.236
38.017
37.656
38.383
38.192
39.509
39.829
37.220
35.891
34.728
33.500
32.353
32.228
31.316
40.242
41.578
42.625
42.294
41.564
41.884
43.044
44.197
42.742
43.867
44.979
45.173
44.996
46.280
46.366
46.133

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.89
0.89
0.89
0.89
0.89
0.89
0.89

N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

6966
6967
6968
6969
6970
6971
6972
6973
6974
6975
6976
6977
6978
6979
6980
6981
6982
6983
6984
6985
6986
6987
6988
6989
6990
6991
6992
6993
6994
6995
6996
6997
6998
6999
7000
7001
7002
7003
7004
7005
7006
7007
7008
7009
7010
7011
7012
7013
7014
7015
7016
7017
7018
7019
7020
7021
7022
7023
7024
7025

CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C

TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
PRO
PRO
PRO

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

112
112
112
112
112
112
112
113
113
113
113
113
113
113
114
114
114
114
114
114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
120
120
120

67.229
66.820
67.749
67.980
69.035
69.270
69.792
65.019
64.515
64.854
66.033
65.189
64.835
64.830
63.807
63.953
63.589
62.664
63.004
62.965
63.890
61.979
63.820
61.906
62.820
62.752
64.403
64.199
64.001
64.676
65.406
65.830
65.156
64.765
63.154
62.834
62.308
61.727
62.696
62.308
61.643
62.126
63.529
63.116
64.325
60.559
59.792
58.826
58.640
59.045
57.843
57.883
56.833
58.204
57.291
57.821
58.784
57.216
57.667
59.054

-15.434
-13.317
-14.151
-16.528
-13.953
-16.330
-15.044
-19.540
-20.856
-20.965
-20.981
-21.998
-21.926
-23.390
-21.024
-21.223
-22.676
-23.240
-20.310
-18.885
-17.943
-18.543
-16.647
-17.245
-16.295
-15.026
-23.281
-24.672
-24.616
-23.854
-25.563
-25.420
-27.037
-25.807
-25.529
-25.626
-27.016
-27.688
-27.485
-28.821
-28.657
-27.920
-29.757
-31.186
-29.807
-29.393
-29.432
-30.618
-31.268
-28.104
-27.875
-28.386
-27.369
-30.821
-31.945
-32.812
-32.417
-33.984
-34.932
-35.477

46.885
46.487
46.947
47.298
47.421
47.763
47.821
45.529
45.954
47.438
47.808
45.172
43.789
45.703
48.237
49.687
49.985
49.384
50.466
49.926
50.349
49.011
49.860
48.536
48.965
48.486
50.830
51.267
52.783
53.479
50.898
49.424
51.264
48.387
53.248
54.677
55.004
54.154
56.174
56.653
58.019
58.882
56.746
57.113
55.438
58.186
59.441
59.409
58.380
59.683
58.760
57.621
59.294
60.566
60.780
61.931
62.603
62.140
63.174
62.810

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.92
0.92
0.92
0.92
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.79
0.79
0.79

C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7026
7027
7028
7029
7030
7031
7032
7033
7034
7035
7036
7037
7038
7039
7040
7041
7042
7043
7044
7045
7046
7047
7048
7049
7050
7051
7052
7053
7054
7055
7056
7057
7058
7059
7060
7061
7062
7063
7064
7065
7066
7067
7068
7069
7070
7071
7072
7073
7074
7075
7076
7077
7078
7079
7080
7081
7082
7083
7084
7085

O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C

PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
122
122
123
123
123
123
123
123
123
123
124
124
124
124
124
125
125
125
125
125
125
125
125
126
126
126
126
126
126
126
127
127
127
127
127
127
127
127
127
128
128
128

59.393
56.596
56.077
56.102
59.827
61.166
61.138
61.893
61.890
62.403
62.543
62.571
60.171
60.001
59.452
59.182
59.108
57.631
57.224
56.875
59.130
58.538
58.466
57.391
57.142
56.608
57.443
55.388
59.644
59.775
59.538
59.408
61.155
59.523
59.231
60.086
60.238
57.738
57.241
57.335
55.786
60.597
61.347
60.346
59.809
62.454
63.105
63.570
60.215
59.322
60.148
61.151
58.499
57.687
56.862
57.740
56.915
59.707
60.344
59.364

-35.611
-36.024
-36.033
-34.557
-35.856
-36.445
-37.727
-37.866
-36.767
-35.514
-34.487
-35.623
-38.579
-39.874
-39.732
-40.744
-40.782
-40.380
-39.341
-41.124
-38.498
-38.226
-36.721
-36.141
-38.870
-39.067
-39.119
-39.313
-36.119
-34.698
-34.524
-35.504
-34.190
-33.271
-32.919
-31.740
-30.747
-32.581
-32.294
-33.530
-31.851
-31.883
-30.821
-30.007
-30.504
-31.421
-30.396
-32.023
-28.745
-27.807
-26.847
-26.276
-27.009
-27.921
-27.132
-26.292
-25.609
-26.727
-25.868
-24.746

61.637
63.177
61.740
61.351
63.823
63.595
62.765
61.805
64.902
65.603
64.902
66.836
63.095
62.416
60.986
60.336
63.275
63.220
63.722
62.442
60.575
59.256
58.935
58.801
59.223
57.806
56.873
57.717
58.817
58.440
56.930
56.189
58.866
56.494
55.098
54.624
55.340
55.016
53.598
52.708
53.664
53.407
52.706
51.879
50.890
51.812
50.872
52.664
52.228
51.528
50.674
51.119
52.537
53.464
54.480
55.411
56.411
49.434
48.424
48.066

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.79
0.79
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83

O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7086
7087
7088
7089
7090
7091
7092
7093
7094
7095
7096
7097
7098
7099
7100
7101
7102
7103
7104
7105
7106
7107
7108
7109
7110
7111
7112
7113
7114
7115
7116
7117
7118
7119
7120
7121
7122
7123
7124
7125
7126
7127
7128
7129
7130
7131
7132
7133
7134
7135
7136
7137
7138
7139
7140
7141
7142
7143
7144
7145

O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O

ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

128
128
128
128
128
129
129
129
129
129
129
129
129
129
130
130
130
130
130
130
130
130
130
130
130
130
131
131
131
131
132
132
132
132
132
132
132
132
132
133
133
133
133
133
134
134
134
134
134
134
134
134
134
134
134
134
135
135
135
135

58.208
60.763
61.745
61.392
62.149
59.926
59.188
59.910
61.115
59.147
58.298
58.309
57.421
57.414
59.145
59.670
59.201
58.068
59.259
60.247
61.606
59.805
62.531
60.732
62.087
62.969
60.081
59.814
58.693
58.880
57.493
56.317
55.470
54.673
55.449
54.457
55.134
55.934
54.655
55.578
54.689
55.373
56.514
54.168
54.602
54.994
54.756
53.638
54.168
54.538
53.944
55.499
54.322
55.877
55.292
55.627
55.845
55.863
55.921
55.355

-24.989
-26.689
-27.796
-25.768
-28.755
-23.548
-22.314
-21.569
-21.301
-21.485
-20.219
-19.467
-18.226
-17.519
-21.204
-20.438
-18.985
-18.643
-21.058
-20.665
-20.859
-20.088
-20.482
-19.708
-19.908
-19.584
-18.179
-16.751
-16.577
-16.869
-16.305
-16.066
-17.329
-17.365
-14.982
-14.351
-13.412
-12.569
-13.387
-18.308
-19.483
-20.756
-21.048
-19.717
-21.537
-22.887
-23.867
-24.023
-23.285
-22.445
-21.204
-22.898
-20.408
-22.108
-20.858
-20.082
-24.472
-25.218
-26.742
-27.419

47.700
47.188
47.608
46.128
46.488
48.047
47.740
46.612
46.706
49.026
48.916
50.244
50.166
51.452
45.593
44.454
44.531
44.174
43.118
42.023
42.247
40.840
41.293
39.881
40.108
39.135
45.130
45.378
46.412
47.585
45.913
46.774
47.026
47.964
46.127
47.113
48.118
47.656
49.272
46.131
46.139
46.640
46.288
44.720
47.384
47.827
46.676
46.187
49.050
50.271
50.459
51.165
51.528
52.240
52.414
53.473
46.239
44.962
45.045
44.187

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85

O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7146
7147
7148
7149
7150
7151
7152
7153
7154
7155
7156
7157
7158
7159
7160
7161
7162
7163
7164
7165
7166
7167
7168
7169
7170
7171
7172
7173
7174
7175
7176
7177
7178
7179
7180
7181
7182
7183
7184
7185
7186
7187
7188
7189
7190
7191
7192
7193
7194
7195
7196
7197
7198
7199
7200
7201
7202
7203
7204
7205

CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA

THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
137
138
138
138
138
138
138
138
138
138
138
138
138
139
139
139
139
139
139
139
139
139
139
140
140
140
140
140
140
141
141
141
141
141
141
141
141
141
141
141
141
142
142

56.998
58.235
56.675
56.591
56.819
57.396
57.857
57.791
57.586
56.822
58.276
57.226
57.721
58.419
58.360
56.577
55.610
55.952
59.092
59.821
59.817
60.192
61.256
61.992
62.619
62.084
63.348
62.822
63.464
64.408
59.406
59.216
60.463
61.431
58.073
56.739
56.200
55.922
55.053
54.874
60.388
61.399
61.469
60.484
60.986
61.905
62.673
62.937
63.534
63.406
63.831
65.113
66.264
65.138
67.447
66.317
67.471
68.606
64.205
64.816

-24.722
-24.722
-23.331
-27.284
-28.738
-29.161
-28.325
-29.163
-30.606
-31.354
-30.953
-30.440
-31.093
-32.417
-32.903
-31.346
-32.228
-30.035
-32.967
-34.241
-34.925
-34.311
-33.933
-35.192
-35.992
-35.496
-37.089
-36.586
-37.369
-38.247
-36.186
-36.953
-37.684
-37.916
-37.961
-37.259
-36.985
-36.821
-36.376
-36.272
-38.018
-38.809
-40.234
-40.964
-38.835
-39.617
-40.619
-41.960
-42.954
-44.164
-41.846
-41.042
-41.664
-39.698
-40.946
-38.974
-39.601
-38.878
-42.410
-43.215

44.064
44.787
43.518
46.063
46.135
47.487
48.265
45.023
44.545
45.199
43.563
47.774
48.995
48.663
47.531
49.981
49.402
50.458
49.664
49.558
50.929
51.931
49.126
48.681
49.626
47.329
49.210
46.909
47.859
47.482
50.936
52.183
52.680
51.952
52.044
51.837
50.654
52.793
50.884
52.198
53.962
54.677
54.104
54.104
56.149
56.903
53.700
53.136
54.143
53.995
51.898
52.137
52.603
51.793
52.709
51.904
52.358
52.518
55.155
56.230

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.80
0.80
0.80
0.80
0.80
0.80
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.78
0.78

C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7206
7207
7208
7209
7210
7211
7212
7213
7214
7215
7216
7217
7218
7219
7220
7221
7222
7223
7224
7225
7226
7227
7228
7229
7230
7231
7232
7233
7234
7235
7236
7237
7238
7239
7240
7241
7242
7243
7244
7245
7246
7247
7248
7249
7250
7251
7252
7253
7254
7255
7256
7257
7258
7259
7260
7261
7262
7263
7264
7265

C
O
CB
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB

ALA
ALA
ALA
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

142
142
142
143
143
143
143
143
143
143
143
143
143
144
144
144
144
144
144
144
144
145
145
145
145
145
145
145
145
146
146
146
146
146
146
146
146
147
147
147
147
147
147
147
147
147
147
147
148
148
148
148
148
148
148
149
149
149
149
149

64.154
64.651
66.321
63.085
62.245
62.971
62.468
61.245
60.166
59.076
60.159
58.396
59.062
64.149
64.879
65.462
66.519
65.975
66.488
66.081
67.337
64.699
65.068
65.588
66.777
66.067
65.392
66.604
66.345
64.657
65.016
65.580
65.050
63.757
63.953
65.056
62.625
66.685
67.425
68.243
68.423
68.294
69.240
69.955
70.895
70.608
69.373
71.574
68.615
69.292
70.646
71.115
68.303
68.889
67.804
71.169
72.512
72.828
73.737
72.760

-42.985
-43.449
-42.929
-42.187
-41.898
-41.522
-41.759
-43.041
-43.013
-42.252
-43.710
-42.470
-43.376
-40.919
-40.406
-39.024
-38.902
-41.378
-40.945
-41.446
-39.941
-38.015
-36.587
-36.270
-36.227
-36.167
-36.311
-34.733
-36.135
-36.069
-35.527
-34.109
-33.341
-35.537
-34.982
-35.717
-35.103
-33.829
-32.563
-32.216
-33.052
-32.621
-33.823
-33.912
-35.049
-36.354
-36.797
-37.253
-30.949
-30.407
-29.754
-29.774
-29.511
-29.029
-28.319
-29.039
-28.458
-27.516
-27.857
-27.719

57.599
58.623
56.285
57.604
58.785
60.088
61.185
58.997
57.918
57.945
56.786
56.827
56.114
59.959
61.125
60.831
60.208
61.576
62.952
63.989
62.977
61.229
61.105
59.692
59.416
62.209
63.581
62.015
64.767
58.778
57.459
57.657
58.461
56.593
55.180
54.408
54.435
56.984
57.155
55.908
55.014
58.423
58.462
59.810
59.842
59.830
59.763
59.949
55.821
54.624
54.946
56.086
53.840
52.628
54.653
53.959
53.938
55.090
55.833
52.636

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.78
0.78
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86

C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
O
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7266
7267
7268
7269
7270
7271
7272
7273
7274
7275
7276
7277
7278
7279
7280
7281
7282
7283
7284
7285
7286
7287
7288
7289
7290
7291
7292
7293
7294
7295
7296
7297
7298
7299
7300
7301
7302
7303
7304
7305
7306
7307
7308
7309
7310
7311
7312
7313
7314
7315
7316
7317
7318
7319
7320
7321
7322
7323
7324
7325

CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O

GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

149
149
149
149
150
150
150
150
150
150
150
150
150
151
151
151
151
151
151
152
152
152
152
152
153
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
156
156
156
156
156
156
156
156
157
157
157
157
158
158
158
158

72.881
73.282
72.878
74.098
71.993
72.235
73.190
73.844
72.747
71.949
70.490
69.971
69.879
73.214
73.959
73.385
72.570
75.466
75.764
73.766
73.172
73.252
74.222
73.853
72.163
72.111
72.722
72.946
70.676
69.338
73.142
73.828
72.998
72.611
75.205
76.075
76.094
76.806
72.742
71.948
72.851
73.666
70.857
69.792
72.661
73.409
72.458
71.722
74.524
75.357
73.981
76.561
72.347
71.510
70.024
69.348
69.591
68.181
67.887
66.778

-28.707
-28.009
-28.415
-26.981
-26.491
-25.399
-24.335
-23.579
-25.892
-27.083
-26.754
-25.690
-27.607
-24.301
-23.352
-23.426
-24.302
-23.641
-24.957
-22.456
-22.252
-23.475
-24.235
-21.059
-23.664
-24.604
-23.941
-22.734
-25.107
-23.857
-24.749
-24.207
-24.441
-25.572
-24.862
-24.629
-25.425
-23.534
-23.350
-23.375
-23.070
-22.146
-22.305
-22.357
-23.849
-23.735
-23.840
-24.821
-24.795
-24.572
-26.231
-25.504
-22.726
-22.673
-22.989
-23.529
-22.736
-22.909
-24.178
-24.342

51.477
50.179
49.095
50.288
55.305
56.288
55.720
56.435
57.659
58.204
58.516
58.100
59.180
54.393
53.553
52.137
51.836
53.542
53.062
51.317
49.986
49.060
49.065
49.314
48.329
47.195
45.947
45.909
46.988
47.065
44.985
43.798
42.536
42.242
43.671
44.906
45.829
44.922
41.824
40.582
39.381
39.429
40.644
42.129
38.329
37.060
35.861
35.729
36.977
35.703
37.127
35.548
35.135
33.918
34.159
33.290
35.405
35.801
36.610
37.111

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.86
0.86
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.89
0.89
0.89
0.89
0.89
0.89
0.92
0.92
0.92
0.92
0.92
0.98
0.98
0.98
0.98
0.98
0.98
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94
0.94
0.94
0.94
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.96

C
C
O
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
O
N
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7326
7327
7328
7329
7330
7331
7332
7333
7334
7335
7336
7337
7338
7339
7340
7341
7342
7343
7344
7345
7346
7347
7348
7349
7350
7351
7352
7353
7354
7355
7356
7357
7358
7359
7360
7361
7362
7363
7364
7365
7366
7367
7368
7369
7370
7371
7372
7373
7374
7375
7376
7377
7378
7379
7380
7381
7382
7383
7384
7385

N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG1
CG2
N
CA
C

ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

159
159
159
159
159
159
159
159
160
160
160
160
160
160
161
161
161
161
161
161
161
161
161
161
161
161
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
165
166
166
166

68.929
68.812
69.598
70.796
69.378
68.585
67.354
69.229
68.881
69.489
69.637
68.724
68.589
68.197
70.778
71.066
71.098
71.461
72.396
72.338
72.540
72.103
72.498
72.072
72.262
72.147
70.638
70.447
70.662
69.971
69.022
68.591
69.432
67.099
71.574
71.772
70.716
70.498
73.175
73.470
73.939
72.429
70.117
69.190
69.708
70.347
67.756
67.683
67.228
66.270
69.499
69.919
68.890
68.262
71.337
71.930
71.397
68.686
67.780
68.493

-24.967
-26.199
-26.036
-25.747
-27.397
-27.715
-27.896
-27.735
-26.139
-26.040
-27.450
-28.270
-25.203
-23.539
-27.689
-28.970
-28.737
-27.654
-29.547
-29.910
-28.928
-31.224
-29.260
-31.559
-30.574
-30.868
-29.749
-29.681
-31.055
-32.010
-29.176
-29.320
-28.438
-29.028
-31.097
-32.305
-32.336
-31.351
-32.307
-33.627
-33.435
-32.987
-33.501
-33.852
-35.154
-35.954
-34.029
-35.157
-32.684
-35.550
-35.325
-36.565
-36.981
-36.141
-36.405
-37.690
-35.604
-38.280
-38.862
-40.036

36.870
37.667
38.963
38.938
36.900
35.634
35.759
34.563
40.066
41.403
41.978
41.891
42.314
41.657
42.595
43.261
44.768
45.237
42.770
41.284
40.320
40.897
38.975
39.550
38.590
37.272
45.484
46.938
47.571
47.224
47.218
48.682
49.605
48.816
48.529
49.344
50.455
51.167
49.954
50.675
52.436
53.257
50.591
51.684
52.305
51.614
51.153
50.106
50.624
49.679
53.597
54.269
55.315
55.970
54.846
55.026
56.150
55.388
56.374
57.040

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.96
0.96
0.96
0.96
0.96
0.96
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.80
0.80
0.80

N
C
C
O
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7386
7387
7388
7389
7390
7391
7392
7393
7394
7395
7396
7397
7398
7399
7400
7401
7402
7403
7404
7405
7406
7407
7408
7409
7410
7411
7412
7413
7414
7415
7416
7417
7418
7419
7420
7421
7422
7423
7424
7425
7426
7427
7428
7429
7430
7431
7432
7433
7434
7435
7436
7437
7438
7439
7440
7441
7442
7443
7444
7445

O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N

ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ARG

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

166
166
166
166
166
167
167
167
167
168
168
168
168
168
168
169
169
169
169
169
170
170
170
170
170
170
171
171
171
171
172
172
172
172
172
172
172
172
173
173
173
173
173
173
174
174
174
174
174
174
174
174
174
175
175
175
175
175
175
176

69.074
66.543
65.334
65.480
64.248
68.391
68.985
69.426
69.292
69.854
70.324
71.570
72.518
70.655
71.128
71.607
72.781
74.005
75.140
72.451
73.715
74.729
74.618
74.482
74.538
74.561
74.560
74.420
74.478
75.249
73.653
73.568
72.682
71.536
73.088
74.092
72.749
75.491
73.235
72.535
72.991
73.962
72.821
72.443
72.382
72.681
71.993
70.771
72.206
72.800
72.321
72.565
71.810
72.820
72.327
71.932
72.439
73.394
74.787
71.041

-40.882
-39.324
-39.507
-39.765
-39.584
-40.062
-41.149
-40.676
-39.508
-41.655
-41.434
-40.539
-40.789
-42.783
-42.603
-39.633
-38.761
-39.588
-39.307
-37.717
-40.705
-41.631
-43.008
-44.044
-41.761
-40.475
-42.974
-44.204
-43.911
-43.074
-44.640
-44.494
-43.301
-43.185
-45.818
-46.962
-45.672
-46.748
-42.499
-41.347
-41.159
-40.446
-40.054
-40.188
-41.931
-41.822
-40.579
-40.427
-43.045
-44.338
-45.541
-46.841
-46.816
-39.661
-38.428
-38.696
-39.619
-37.330
-37.588
-37.854

56.353
55.618
56.519
57.730
55.914
58.364
59.156
60.537
60.899
61.320
62.701
62.706
61.964
63.348
64.687
63.681
63.905
64.340
63.967
64.975
65.002
65.538
64.860
65.512
67.054
67.676
63.524
62.723
61.226
60.761
60.491
59.027
58.639
59.079
58.404
58.633
56.918
58.035
57.739
57.132
55.682
55.404
57.904
59.271
54.788
53.346
52.780
52.890
52.558
53.107
52.295
53.061
54.321
52.303
51.669
50.214
49.571
51.714
50.555
49.733

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.83
0.83
0.83
0.83
0.83
0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.85
0.85
0.85
0.85
0.85
0.85
0.85

O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7446
7447
7448
7449
7450
7451
7452
7453
7454
7455
7456
7457
7458
7459
7460
7461
7462
7463
7464
7465
7466
7467
7468
7469
7470
7471
7472
7473
7474
7475
7476
7477
7478
7479
7480
7481
7482
7483
7484
7485
7486
7487
7488
7489
7490
7491
7492
7493
7494
7495
7496
7497
7498
7499
7500
7501
7502
7503
7504
7505

CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177
177
177
178
178
178
178
178
178
178
178
179
179
179
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
181
181
181
181
182
182
182

70.671
70.774
70.725
69.231
68.978
67.513
67.082
65.807
64.831
65.476
70.904
70.840
69.564
69.055
72.074
73.275
74.028
73.626
75.129
74.734
75.483
69.014
67.817
68.182
68.914
66.748
66.161
65.079
65.578
67.665
67.811
66.467
65.496
68.224
68.768
68.353
68.852
68.620
66.370
65.189
65.280
66.373
65.151
65.793
63.706
65.140
64.124
64.048
62.745
61.650
64.168
64.238
64.469
64.689
65.865
66.984
65.948
62.921
61.824
60.766

-37.771
-36.311
-35.390
-38.229
-39.681
-39.956
-41.280
-41.628
-40.767
-42.852
-36.127
-34.790
-34.653
-35.625
-34.545
-34.136
-35.091
-32.794
-34.697
-32.402
-33.355
-33.457
-33.116
-32.098
-31.143
-32.526
-33.491
-32.771
-34.740
-32.342
-31.378
-30.668
-31.224
-32.040
-30.940
-31.066
-32.341
-32.247
-29.579
-28.697
-27.833
-27.507
-27.768
-28.353
-27.315
-29.637
-27.394
-26.452
-25.669
-26.221
-27.154
-26.098
-26.697
-25.576
-25.196
-25.819
-24.164
-24.387
-23.398
-23.748

48.312
47.871
48.689
48.089
48.487
48.182
48.663
48.829
48.598
49.220
46.570
45.964
45.140
44.577
45.097
45.951
46.626
46.018
47.376
46.759
47.440
45.172
44.398
43.327
43.598
45.320
46.353
47.162
45.687
42.134
41.037
40.868
40.342
39.725
38.808
37.343
36.667
35.222
41.602
41.596
40.332
39.856
42.828
44.103
43.096
44.626
39.866
38.741
38.816
38.715
37.384
36.280
34.900
33.968
33.467
33.791
32.640
39.135
39.158
40.228

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83

C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7506
7507
7508
7509
7510
7511
7512
7513
7514
7515
7516
7517
7518
7519
7520
7521
7522
7523
7524
7525
7526
7527
7528
7529
7530
7531
7532
7533
7534
7535
7536
7537
7538
7539
7540
7541
7542
7543
7544
7545
7546
7547
7548
7549
7550
7551
7552
7553
7554
7555
7556
7557
7558
7559
7560
7561
7562
7563
7564
7565

O
CB
CG
CD
OE1
OE2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB

GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

182
182
182
182
182
182
183
183
183
183
184
184
184
184
184
184
184
184
184
184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
186
186
187
187
187
187
187
187
187
187
187
188
188
188
188
188
188
188
188
188
189
189
189
189
189

59.560
61.263
60.577
60.858
60.161
61.813
61.281
60.457
60.125
59.972
60.115
59.701
60.891
61.809
58.653
57.454
56.593
55.949
54.845
54.132
54.525
60.909
61.915
61.684
60.549
61.739
61.685
62.881
61.241
62.773
62.676
63.552
63.604
62.935
64.379
61.881
64.770
64.278
65.202
65.836
66.278
66.331
67.215
68.282
67.728
66.865
65.904
66.647
67.986
68.074
65.875
64.509
63.733
64.109
62.798
69.004
70.372
70.891
71.196
71.295

-23.636
-23.351
-22.045
-21.774
-22.374
-21.014
-24.283
-24.660
-26.160
-26.718
-26.838
-28.253
-29.183
-28.887
-28.452
-27.555
-27.324
-26.019
-25.765
-26.722
-24.526
-30.223
-31.303
-32.042
-32.389
-32.296
-31.548
-33.327
-32.391
-32.314
-33.005
-34.262
-34.902
-32.037
-31.507
-30.914
-30.709
-34.562
-35.707
-35.835
-34.854
-35.513
-36.751
-36.549
-36.585
-35.434
-37.090
-37.521
-38.109
-38.734
-38.629
-38.179
-39.402
-39.906
-39.811
-37.921
-38.380
-39.186
-38.600
-37.193

40.020
37.728
37.361
35.885
35.039
35.632
41.347
42.509
42.596
43.680
41.457
41.426
41.210
40.441
40.332
40.630
39.393
39.579
40.285
40.864
40.552
42.030
41.960
40.635
40.307
43.122
44.460
43.120
45.656
39.935
38.631
38.536
37.487
37.458
37.465
37.452
36.217
39.619
39.689
41.077
41.681
38.674
38.500
37.421
35.990
35.680
41.496
42.693
42.236
41.178
43.404
43.917
44.402
45.477
43.687
43.060
42.758
43.948
44.991
42.413

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.83
0.91
0.91
0.91
0.91
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85

O
C
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7566
7567
7568
7569
7570
7571
7572
7573
7574
7575
7576
7577
7578
7579
7580
7581
7582
7583
7584
7585
7586
7587
7588
7589
7590
7591
7592
7593
7594
7595
7596
7597
7598
7599
7600
7601
7602
7603
7604
7605
7606
7607
7608
7609
7610
7611
7612
7613
7614
7615
7616
7617
7618
7619
7620
7621
7622
7623
7624
7625

CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O

ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
HIS
HIS
HIS
HIS

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

189
189
189
190
190
190
190
190
190
190
190
191
191
191
191
191
191
191
192
192
192
192
192
192
192
193
193
193
193
194
194
194
194
194
194
194
194
194
194
194
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197

70.788
72.760
71.469
70.884
71.388
72.908
73.364
70.669
69.224
68.278
68.659
73.669
75.139
75.662
75.125
75.563
74.421
73.206
76.751
77.578
78.779
79.147
77.982
77.145
79.445
79.411
80.682
80.474
79.672
81.177
81.134
79.982
80.159
82.478
82.641
83.131
82.005
81.789
82.611
80.702
78.818
77.565
76.999
75.828
76.502
76.970
76.062
77.839
77.374
76.902
76.063
78.367
79.807
80.722
80.562
81.492
77.428
77.015
77.561
78.767

-36.489
-37.645
-35.149
-40.494
-41.482
-41.633
-42.154
-42.825
-42.854
-41.852
-44.257
-40.995
-41.030
-42.466
-43.298
-40.203
-39.205
-40.080
-42.683
-43.906
-43.650
-42.512
-44.226
-45.277
-44.587
-44.746
-44.654
-44.954
-45.816
-44.192
-44.353
-43.516
-42.385
-43.925
-44.499
-43.434
-42.634
-42.356
-42.787
-41.698
-44.144
-43.429
-43.741
-43.479
-43.698
-43.239
-45.170
-44.240
-44.633
-43.474
-43.675
-45.551
-45.040
-46.102
-46.347
-46.698
-42.274
-41.071
-39.798
-39.557

41.143
42.252
40.843
43.758
44.731
44.571
43.548
44.557
45.087
44.413
44.880
45.469
45.448
45.561
46.293
46.663
46.823
46.531
44.844
44.849
45.777
46.035
43.389
42.910
43.086
46.213
46.957
48.440
48.806
49.266
50.730
51.311
51.773
51.319
52.725
53.698
54.209
55.495
56.445
55.844
51.375
51.709
53.107
53.378
50.623
49.237
50.579
54.007
55.356
56.247
57.127
56.078
56.067
55.461
54.242
56.240
56.002
56.745
56.084
56.081

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77

C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7626
7627
7628
7629
7630
7631
7632
7633
7634
7635
7636
7637
7638
7639
7640
7641
7642
7643
7644
7645
7646
7647
7648
7649
7650
7651
7652
7653
7654
7655
7656
7657
7658
7659
7660
7661
7662
7663
7664
7665
7666
7667
7668
7669
7670
7671
7672
7673
7674
7675
7676
7677
7678
7679
7680
7681
7682
7683
7684
7685

CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG

HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199
199
199
199
200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
202
202
202
202
202
202
202
203
203
203
203
203
203
204
204
204
204
205
205
205
205
205
205

77.503
76.742
76.052
76.630
75.505
75.887
76.625
76.952
75.835
74.691
77.054
77.735
77.807
76.132
75.174
75.789
76.999
74.568
75.573
74.870
73.699
75.455
74.921
75.311
76.412
77.469
75.752
74.675
75.137
76.367
74.238
76.204
77.156
77.243
76.232
76.771
77.009
78.475
78.808
79.312
80.428
79.898
79.449
80.252
78.414
78.645
78.891
78.461
77.429
76.999
79.596
79.947
80.391
80.619
80.414
80.838
82.357
82.936
80.170
78.686

-41.160
-40.201
-40.546
-38.883
-39.451
-38.416
-38.966
-37.711
-36.697
-36.904
-37.964
-39.193
-36.829
-35.714
-34.639
-33.245
-33.115
-34.839
-34.787
-34.738
-35.163
-34.152
-32.235
-30.807
-30.453
-29.917
-30.402
-30.608
-30.106
-30.036
-29.712
-30.913
-30.640
-29.140
-28.435
-31.405
-33.216
-28.721
-27.346
-27.467
-27.931
-26.742
-26.736
-25.304
-27.172
-27.423
-26.134
-25.042
-28.158
-29.714
-26.324
-25.247
-25.829
-27.037
-24.959
-25.326
-25.233
-24.158
-24.430
-24.747

58.198
59.110
60.190
58.961
60.701
59.950
55.648
54.939
55.200
54.779
53.426
53.152
52.733
56.031
56.351
56.240
56.098
57.741
58.898
60.258
60.336
61.180
56.242
56.268
55.250
55.583
57.678
58.745
60.115
60.335
60.892
54.019
52.931
52.626
52.566
51.666
51.775
52.385
51.963
50.523
50.289
52.865
54.219
52.468
49.594
48.161
47.364
47.744
47.594
48.459
46.249
45.306
43.961
43.830
42.962
41.601
41.446
41.557
40.555
40.381

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.77
0.77
0.77
0.77
0.77
0.77
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.91
0.91
0.91
0.91
0.91
0.91

C
C
N
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
S
N
C
C
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7686
7687
7688
7689
7690
7691
7692
7693
7694
7695
7696
7697
7698
7699
7700
7701
7702
7703
7704
7705
7706
7707
7708
7709
7710
7711
7712
7713
7714
7715
7716
7717
7718
7719
7720
7721
7722
7723
7724
7725
7726
7727
7728
7729
7730
7731
7732
7733
7734
7735
7736
7737
7738
7739
7740
7741
7742
7743
7744
7745

CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C

PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

205
205
205
205
205
206
206
206
206
206
207
207
207
207
207
207
208
208
208
208
208
208
208
208
209
209
209
209
209
209
209
209
209
210
210
210
210
210
210
210
211
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
212
213
213
213

78.308
77.721
76.963
76.377
75.996
82.982
84.403
84.572
85.639
84.920
83.486
83.373
81.893
81.049
84.210
83.658
81.636
80.296
79.861
78.682
80.225
80.019
79.395
80.485
80.847
80.624
80.435
79.744
81.820
81.447
82.202
81.867
82.709
80.973
80.975
80.661
81.306
82.333
82.610
82.383
79.830
79.629
80.449
80.549
78.142
77.332
77.950
75.825
81.003
81.729
81.279
80.893
83.234
83.755
85.280
85.907
85.794
81.327
80.896
81.911

-25.787
-23.950
-26.042
-24.200
-25.250
-26.391
-26.456
-25.982
-25.532
-27.888
-26.131
-25.773
-25.865
-26.273
-26.757
-28.079
-25.654
-25.862
-27.334
-27.655
-25.292
-23.776
-23.192
-23.117
-28.219
-29.661
-30.384
-31.402
-30.194
-31.424
-32.702
-33.162
-34.270
-29.814
-30.493
-29.543
-28.502
-31.189
-32.052
-32.043
-30.069
-29.543
-30.439
-31.650
-29.558
-28.603
-29.225
-28.552
-29.823
-30.556
-30.089
-28.930
-30.352
-30.795
-30.761
-30.018
-31.441
-31.013
-30.743
-31.301

39.542
40.984
39.315
40.746
39.924
41.264
40.857
39.401
38.988
41.009
38.644
37.219
36.813
37.612
36.384
36.444
35.524
34.936
34.907
34.808
33.518
33.524
34.384
32.489
35.009
34.856
36.205
36.262
34.064
33.237
33.608
35.022
35.475
37.284
38.597
39.760
39.927
38.831
37.731
40.103
40.652
42.018
42.960
42.768
42.439
41.549
43.934
41.838
43.991
45.041
46.422
46.590
44.903
43.533
43.440
44.233
42.530
47.367
48.748
49.749

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.91
0.89
0.89
0.89
0.89
0.89
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95

C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7746
7747
7748
7749
7750
7751
7752
7753
7754
7755
7756
7757
7758
7759
7760
7761
7762
7763
7764
7765
7766
7767
7768
7769
7770
7771
7772
7773
7774
7775
7776
7777
7778
7779
7780
7781
7782
7783
7784
7785
7786
7787
7788
7789
7790
7791
7792
7793
7794
7795
7796
7797
7798
7799
7800
7801
7802
7803
7804
7805

O
CB
SG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N

CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

213
213
213
214
214
214
214
214
215
215
215
215
215
215
216
216
216
216
216
216
216
216
216
216
216
217
217
217
217
217
217
217
217
218
218
218
218
218
218
218
218
219
219
219
219
219
219
220
220
220
220
220
220
220
220
220
220
220
220
221

82.541
79.541
78.269
82.011
82.692
81.609
80.905
83.790
81.311
80.139
80.576
81.769
79.302
79.017
79.598
79.823
79.485
78.543
78.927
79.386
78.266
77.784
77.251
77.118
76.824
80.319
80.036
79.966
80.991
81.145
80.900
80.302
81.264
78.751
78.498
78.880
79.019
77.040
76.853
77.381
76.196
78.967
79.212
80.529
81.231
78.021
77.702
80.938
82.062
83.480
84.427
81.788
80.464
80.251
79.448
79.022
78.219
78.010
76.818
83.632

-32.333
-31.408
-31.127
-30.599
-31.081
-31.167
-30.183
-30.102
-32.393
-32.653
-33.070
-33.143
-33.751
-33.499
-33.427
-33.932
-35.427
-35.894
-33.187
-33.506
-33.463
-32.105
-31.736
-32.577
-30.507
-36.151
-37.536
-37.502
-37.454
-38.481
-39.930
-40.167
-40.832
-37.673
-37.453
-38.619
-38.445
-37.028
-36.312
-35.246
-36.952
-39.826
-41.026
-41.782
-42.043
-41.985
-42.231
-41.991
-42.907
-42.316
-43.042
-43.702
-44.469
-45.450
-44.134
-46.092
-44.775
-45.756
-46.403
-41.064

49.505
49.004
47.717
50.867
52.082
53.161
53.410
52.501
53.563
54.417
55.826
56.133
53.752
51.962
56.640
57.997
58.024
57.378
58.993
60.418
61.451
61.758
62.926
63.933
63.123
58.752
59.143
60.670
61.336
58.672
59.111
60.189
58.346
61.171
62.603
63.531
64.737
62.771
64.104
64.338
65.039
62.979
63.802
63.584
64.548
63.718
62.346
62.336
62.055
62.018
62.313
60.775
60.852
61.816
59.967
61.893
60.040
61.003
61.059
61.588

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.95
0.95
0.95
0.90
0.90
0.90
0.90
0.90
0.88
0.88
0.88
0.88
0.88
0.88
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.79

O
C
S
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7806
7807
7808
7809
7810
7811
7812
7813
7814
7815
7816
7817
7818
7819
7820
7821
7822
7823
7824
7825
7826
7827
7828
7829
7830
7831
7832
7833
7834
7835
7836
7837
7838
7839
7840
7841
7842
7843
7844
7845
7846
7847
7848
7849
7850
7851
7852
7853
7854
7855
7856
7857
7858
7859
7860
7861
7862
7863
7864
7865

CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O

THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

221
221
221
221
221
221
222
222
222
222
222
223
223
223
223
223
223
223
223
223
224
224
224
224
224
224
224
224
224
224
224
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
228
228
228
228

84.984
85.122
84.192
85.472
86.828
84.611
86.369
86.840
87.127
87.279
88.105
87.407
87.542
86.192
85.132
87.994
89.366
89.811
91.167
91.614
86.251
85.030
84.740
85.642
85.110
85.104
84.934
84.932
84.035
83.000
84.143
83.491
82.976
83.036
82.608
81.522
81.539
82.522
83.623
83.801
83.014
83.365
85.292
85.537
85.505
85.783
85.733
86.005
85.982
81.888
81.010
81.567
82.027
79.566
78.605
79.008
81.431
81.668
80.433
80.110

-40.507
-39.005
-38.236
-40.848
-40.421
-40.239
-38.641
-37.245
-36.637
-35.428
-37.202
-37.498
-37.075
-36.555
-36.853
-38.238
-38.792
-39.814
-40.414
-41.317
-35.816
-35.329
-36.122
-36.317
-33.854
-32.915
-31.489
-30.501
-30.390
-31.212
-29.407
-36.581
-37.126
-36.008
-34.878
-37.488
-37.815
-36.795
-36.332
-35.365
-35.804
-36.778
-35.221
-34.133
-34.444
-32.829
-33.459
-31.840
-32.161
-35.143
-35.410
-34.719
-33.578
-34.949
-35.261
-35.587
-35.435
-34.917
-35.229
-36.404

61.357
61.637
61.400
59.932
59.771
58.819
61.927
62.017
60.629
60.473
62.875
59.650
58.243
57.723
58.275
57.353
57.737
56.695
57.062
55.995
56.622
55.960
54.683
53.858
55.573
56.773
56.245
57.338
58.320
58.426
59.199
54.541
53.273
52.227
52.485
53.576
55.065
55.635
51.084
49.988
48.749
48.080
49.668
48.621
47.266
49.029
46.322
48.082
46.733
48.542
47.382
46.122
46.169
47.672
46.518
48.948
45.011
43.650
42.799
42.581

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.79
0.79
0.79
0.79
0.84
0.84
0.84
0.84
0.84
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93

C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7866
7867
7868
7869
7870
7871
7872
7873
7874
7875
7876
7877
7878
7879
7880
7881
7882
7883
7884
7885
7886
7887
7888
7889
7890
7891
7892
7893
7894
7895
7896
7897
7898
7899
7900
7901
7902
7903
7904
7905
7906
7907
7908
7909
7910
7911
7912
7913
7914
7915
7916
7917
7918
7919
7920
7921
7922
7923
7924
7925

CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N

LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
ALA

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

228
228
228
228
228
229
229
229
229
229
229
229
229
230
230
230
230
230
230
230
230
231
231
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233
233
233
233
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
236

82.876
84.217
85.336
86.723
87.755
79.709
78.491
78.708
78.941
77.301
75.995
74.823
75.730
78.616
78.687
77.320
76.372
79.127
79.361
78.588
80.454
77.264
76.048
75.640
74.464
76.261
75.043
76.581
76.614
76.378
75.468
74.551
77.672
78.674
78.553
78.794
78.333
75.745
75.090
74.285
73.822
76.147
77.056
76.925
74.149
73.411
73.776
72.917
71.912
71.543
72.033
70.809
75.071
75.610
76.557
77.280
76.380
77.503
75.490
76.508

-35.583
-35.256
-35.844
-35.557
-36.086
-34.190
-34.340
-33.816
-32.626
-33.667
-33.822
-33.996
-32.586
-34.753
-34.464
-33.960
-34.731
-35.736
-35.455
-34.799
-35.943
-32.667
-31.975
-32.454
-32.426
-30.448
-29.662
-29.969
-32.929
-33.466
-34.696
-34.826
-33.935
-32.804
-32.086
-32.771
-30.858
-35.565
-36.884
-37.067
-38.169
-37.991
-37.858
-37.945
-35.994
-35.991
-37.197
-37.906
-35.941
-34.709
-33.611
-34.900
-37.493
-38.638
-38.102
-37.124
-39.615
-38.951
-40.281
-38.728

42.984
43.634
42.776
43.346
42.446
42.419
41.609
40.187
39.962
42.307
41.517
42.478
40.653
39.258
37.820
37.331
37.202
37.090
35.607
34.944
35.074
37.041
36.542
35.132
34.772
36.582
36.084
38.001
34.363
33.003
33.045
32.241
32.342
32.204
30.867
29.849
30.901
34.009
34.085
35.373
35.657
33.986
35.079
32.667
36.157
37.436
38.330
38.852
37.115
36.285
36.645
35.293
38.365
39.123
40.197
39.981
38.220
37.632
37.164
41.362

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.93
0.93
0.93
0.93
0.93
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.95

C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7926
7927
7928
7929
7930
7931
7932
7933
7934
7935
7936
7937
7938
7939
7940
7941
7942
7943
7944
7945
7946
7947
7948
7949
7950
7951
7952
7953
7954
7955
7956
7957
7958
7959
7960
7961
7962
7963
7964
7965
7966
7967
7968
7969
7970
7971
7972
7973
7974
7975
7976
7977
7978
7979
7980
7981
7982
7983
7984
7985

CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1

ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

236
236
236
236
237
237
237
237
237
237
237
237
237
238
238
238
238
238
238
238
238
239
239
239
239
239
239
239
239
239
239
239
240
240
240
240
240
240
240
240
241
241
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243

77.347
78.019
77.414
76.497
79.284
80.071
80.701
81.006
81.146
81.981
83.120
82.840
84.244
80.887
81.470
82.654
82.596
80.420
79.156
81.008
77.985
83.667
84.875
85.419
85.108
85.963
85.450
86.061
85.538
84.659
84.142
84.276
86.098
86.692
87.872
88.574
87.141
85.992
86.524
84.789
88.018
89.201
90.428
90.366
89.108
87.874
87.843
89.115
91.507
92.715
93.674
94.486
93.459
94.658
93.585
94.489
94.606
93.634
94.032
95.001

-38.307
-39.502
-40.563
-37.541
-39.314
-40.298
-39.622
-38.427
-40.916
-41.976
-42.505
-42.855
-42.581
-40.415
-39.954
-40.849
-42.072
-39.978
-39.210
-39.389
-39.316
-40.187
-40.817
-39.841
-38.644
-41.025
-41.486
-42.795
-43.922
-44.833
-44.789
-45.815
-40.374
-39.529
-38.722
-39.166
-40.380
-41.186
-41.924
-40.313
-37.512
-36.689
-37.433
-38.031
-35.312
-34.534
-32.800
-32.133
-37.402
-38.167
-37.378
-37.969
-38.633
-39.950
-36.052
-35.131
-35.506
-35.868
-33.667
-32.821

42.498
43.171
43.315
43.516
43.514
44.277
45.502
45.469
43.378
44.108
43.242
42.076
43.775
46.550
47.822
48.197
48.068
48.950
48.528
50.245
49.512
48.738
49.303
50.354
50.314
48.237
46.865
46.379
47.173
46.754
45.536
47.560
51.359
52.411
51.876
50.964
53.600
54.217
55.439
54.598
52.401
52.093
52.634
53.710
52.753
52.289
52.866
51.814
51.869
52.232
53.126
53.837
50.986
51.398
53.033
53.742
55.221
55.888
53.617
54.245

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.95
0.95
0.95
0.95
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.83
0.83
0.83
0.83
0.83
0.83

C
C
O
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
S
N
C
C
O
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

7986
7987
7988
7989
7990
7991
7992
7993
7994
7995
7996
7997
7998
7999
8000
8001
8002
8003
8004
8005
8006
8007
8008
8009
8010
8011
8012
8013
8014
8015
8016
8017
8018
8019
8020
8021
8022
8023
8024
8025
8026
8027
8028
8029
8030
8031
8032
8033
8034
8035
8036
8037
8038
8039
8040
8041
8042
8043
8044
8045

CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
N

THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

243
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
246
246
246
246
246
246
246
246
246
246
246
246
247
247
247
247
247
247
247
247
248
248
248
248
248
248
248
248
249
249
249
249
249
249
249
250
250
250
250
250
250
250
251

92.642
95.817
96.107
95.498
95.280
97.608
98.436
99.843
100.601
101.826
95.370
94.732
93.217
92.464
94.985
96.326
94.747
92.818
91.411
90.586
90.918
91.346
92.323
92.493
93.144
93.465
94.108
94.262
95.128
89.464
88.703
87.473
86.819
88.285
89.460
88.910
90.239
87.255
86.060
86.398
87.533
85.422
83.927
83.267
83.472
85.352
85.479
84.408
83.265
85.239
86.029
85.578
84.769
86.140
86.995
86.489
85.964
84.725
83.827
88.293

-33.404
-35.349
-35.529
-34.430
-34.639
-35.630
-34.525
-34.466
-35.783
-35.730
-33.235
-32.085
-32.331
-31.930
-30.779
-30.742
-29.541
-33.082
-33.460
-32.194
-31.380
-34.411
-35.586
-36.243
-35.905
-37.216
-36.891
-37.549
-38.585
-32.070
-30.807
-30.800
-29.769
-30.416
-30.103
-29.895
-28.864
-31.891
-32.016
-31.836
-31.536
-33.379
-33.430
-32.378
-34.504
-31.730
-31.559
-32.433
-32.365
-30.092
-29.245
-29.812
-33.195
-33.359
-34.164
-34.754
-34.081
-34.942
-34.038
-34.147

54.220
55.705
57.134
58.016
59.208
57.346
56.693
57.282
57.122
57.919
57.440
58.117
58.170
57.280
57.358
56.894
58.219
59.184
59.410
59.666
60.513
60.610
60.479
59.260
61.552
59.111
61.406
60.193
60.085
58.977
59.014
59.924
60.040
57.596
56.670
55.262
57.130
60.655
61.505
62.992
63.344
61.241
61.547
61.387
61.978
63.800
65.263
65.937
65.493
65.651
64.816
67.120
66.977
67.494
66.510
65.554
68.829
68.587
67.739
66.762

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.78

C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8046
8047
8048
8049
8050
8051
8052
8053
8054
8055
8056
8057
8058
8059
8060
8061
8062
8063
8064
8065
8066
8067
8068
8069
8070
8071
8072
8073
8074
8075
8076
8077
8078
8079
8080
8081
8082
8083
8084
8085
8086
8087
8088
8089
8090
8091
8092
8093
8094
8095
8096
8097
8098
8099
8100
8101
8102
8103
8104
8105

CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
N
CA
C
O

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
253
253
253
253
253
253
253
253
254
254
254
254
254
254
254
254
255
255
255
255
256
256
256
256
256
256
257
257
257
257
257
257
257
257
258
258
258
258
258
259
259
259
259

89.286
90.575
90.812
89.560
90.591
90.901
90.161
90.604
91.812
89.826
91.408
92.736
93.795
93.508
92.940
92.320
91.082
95.044
96.223
96.261
95.949
97.494
97.533
96.541
98.520
96.670
96.741
97.646
98.679
97.236
96.178
94.991
96.588
97.183
97.929
98.157
99.117
97.269
97.381
96.320
96.283
97.373
96.066
95.509
94.606
95.402
95.506
93.312
92.549
92.429
91.342
96.022
96.833
95.968
94.882
97.644
96.534
95.923
95.679
96.162

-34.809
-35.045
-34.343
-33.956
-32.851
-32.066
-30.803
-29.685
-29.621
-28.623
-35.983
-36.205
-35.361
-34.579
-37.707
-37.950
-37.056
-35.667
-35.012
-35.313
-36.418
-35.536
-35.303
-34.786
-35.765
-34.329
-34.489
-35.644
-35.888
-33.202
-32.111
-32.497
-30.936
-36.351
-37.499
-38.648
-39.397
-38.803
-39.914
-41.011
-41.986
-39.394
-38.946
-40.883
-41.958
-42.801
-42.455
-41.407
-40.496
-42.571
-39.771
-43.854
-44.771
-45.589
-46.065
-45.704
-45.763
-46.575
-45.774
-44.645

65.907
66.717
67.711
64.652
64.893
63.630
63.726
64.293
64.838
64.332
66.268
66.860
66.130
65.224
66.651
65.275
65.302
66.448
65.847
64.346
63.929
66.526
68.046
68.607
68.650
63.558
62.092
61.670
62.291
61.434
61.544
61.539
61.653
60.640
60.086
61.073
60.905
62.053
63.020
62.831
63.586
64.460
64.820
61.781
61.325
60.315
59.137
60.688
61.667
60.200
61.054
60.831
60.009
59.043
59.379
60.909
57.846
56.787
55.496
55.374

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.81
0.81
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.86
0.86
0.86
0.86
0.86
0.87
0.87
0.87
0.87

C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8106
8107
8108
8109
8110
8111
8112
8113
8114
8115
8116
8117
8118
8119
8120
8121
8122
8123
8124
8125
8126
8127
8128
8129
8130
8131
8132
8133
8134
8135
8136
8137
8138
8139
8140
8141
8142
8143
8144
8145
8146
8147
8148
8149
8150
8151
8152
8153
8154
8155
8156
8157
8158
8159
8160
8161
8162
8163
8164
8165

N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C

PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TRP
TRP
TRP

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262
262
262
262
263
263
263
263
263
263
264
264
264
264
264
264
264
264
265
265
265
265
266
266
266
266
266
266
266
266
267
267
267
267
267
267
267
267
267
268
268
268

94.997
94.641
93.705
93.105
93.981
93.373
94.447
93.494
92.587
91.177
90.481
92.421
93.965
90.762
89.433
89.266
88.181
89.033
89.979
90.841
91.268
91.146
90.348
90.347
89.636
90.056
91.774
92.416
88.550
87.803
88.644
88.882
86.512
85.445
84.572
85.491
89.176
89.867
88.822
87.766
89.153
88.189
86.979
87.123
88.846
90.007
90.077
90.813
85.826
84.562
84.662
84.377
83.394
83.087
81.907
80.529
80.003
85.165
85.189
83.774

-46.388
-45.722
-44.535
-44.422
-46.824
-47.756
-47.763
-43.731
-42.561
-42.934
-42.168
-41.994
-41.496
-44.154
-44.678
-45.082
-45.509
-45.832
-47.037
-47.194
-46.154
-48.361
-45.026
-45.433
-44.389
-43.242
-45.592
-46.604
-44.800
-43.896
-43.445
-42.260
-44.547
-44.772
-45.617
-43.988
-44.464
-44.294
-44.425
-45.030
-43.888
-43.848
-42.997
-42.060
-43.316
-44.199
-45.375
-43.668
-43.330
-42.655
-41.140
-40.387
-43.188
-44.653
-45.211
-44.990
-43.627
-40.743
-39.328
-38.752

54.520
53.253
53.511
54.578
52.421
53.467
54.550
52.474
52.525
53.024
53.672
51.116
50.269
52.687
53.053
54.531
54.932
52.124
52.189
50.932
50.377
50.616
55.301
56.720
57.579
57.642
57.240
56.471
58.227
59.129
60.331
60.534
59.646
58.572
58.677
57.520
61.019
62.306
63.417
63.229
64.584
65.701
65.300
64.516
66.979
67.460
67.036
68.250
65.871
65.521
65.710
64.788
66.357
66.038
66.844
66.205
66.370
66.890
67.306
67.175

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.91
0.91
0.91
0.91
0.91
0.91
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.79
0.79
0.79
0.79
0.79
0.79
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79

N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8166
8167
8168
8169
8170
8171
8172
8173
8174
8175
8176
8177
8178
8179
8180
8181
8182
8183
8184
8185
8186
8187
8188
8189
8190
8191
8192
8193
8194
8195
8196
8197
8198
8199
8200
8201
8202
8203
8204
8205
8206
8207
8208
8209
8210
8211
8212
8213
8214
8215
8216
8217
8218
8219
8220
8221
8222
8223
8224
8225

O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2

TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

268
268
268
268
268
268
268
268
268
268
268
269
269
269
269
269
269
269
269
270
270
270
270
271
271
271
271
272
272
272
272
272
272
272
272
273
273
273
273
273
273
273
273
273
274
274
274
274
275
275
275
275
276
276
276
276
276
276
276
276

83.503
86.221
87.637
88.482
88.266
89.617
89.520
87.863
90.389
88.736
89.999
82.864
81.415
81.094
81.509
80.776
79.244
78.693
78.692
80.384
80.059
80.668
81.212
80.476
80.968
80.592
80.170
80.689
80.354
80.330
81.095
81.381
80.854
82.803
81.778
79.467
79.485
80.779
81.186
78.257
78.065
76.919
76.708
76.162
81.398
82.660
82.517
81.899
83.063
83.165
84.105
85.123
83.720
84.428
83.951
82.771
84.063
84.580
85.902
83.681

-37.808
-38.518
-38.929
-39.669
-38.577
-39.809
-39.159
-37.829
-38.994
-37.656
-38.238
-39.494
-39.257
-37.761
-37.096
-40.033
-40.005
-40.751
-40.605
-37.296
-35.872
-35.365
-36.126
-34.066
-33.383
-31.904
-31.383
-31.282
-29.862
-29.587
-30.186
-28.963
-27.519
-29.086
-26.524
-28.667
-28.165
-27.354
-26.596
-27.286
-26.962
-25.970
-25.660
-26.810
-27.561
-26.885
-26.073
-26.505
-24.866
-23.945
-24.551
-25.158
-24.334
-24.836
-24.004
-23.648
-26.312
-26.902
-26.746
-27.552

66.440
66.505
66.893
66.182
68.072
66.866
68.024
69.170
69.094
70.234
70.195
67.814
67.779
67.889
68.842
68.936
68.907
67.688
70.200
66.867
66.694
65.382
64.581
65.173
63.969
64.031
65.067
62.869
62.676
61.169
60.410
63.402
63.462
62.814
64.169
60.768
59.386
59.191
60.076
59.174
57.697
57.534
56.057
55.323
58.028
57.686
56.404
55.423
56.474
55.336
54.300
54.640
53.057
51.872
50.684
50.606
51.672
50.359
49.965
49.528

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.93
0.93
0.93
0.93
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88

O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8226
8227
8228
8229
8230
8231
8232
8233
8234
8235
8236
8237
8238
8239
8240
8241
8242
8243
8244
8245
8246
8247
8248
8249
8250
8251
8252
8253
8254
8255
8256
8257
8258
8259
8260
8261
8262
8263
8264
8265
8266
8267
8268
8269
8270
8271
8272
8273
8274
8275
8276
8277
8278
8279
8280
8281
8282
8283
8284
8285

CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
OG
N

PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
LYS

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

276
276
276
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278
278
279
279
279
279
279
279
279
279
279
280
280
280
280
280
280
280
280
280
280
280
281
281
281
281
281
281
281
281
282
282
282
282
282
283
283
283
283
283
283
284

86.326
84.101
85.429
84.892
84.611
85.724
86.895
84.384
85.636
83.729
85.323
86.230
86.645
85.863
85.555
85.181
83.978
85.998
84.049
85.294
87.905
88.557
89.047
90.201
89.712
90.543
91.896
92.406
92.498
88.091
88.340
89.205
88.861
87.034
85.921
84.615
83.532
82.955
83.349
81.953
90.318
91.184
91.178
90.714
92.592
92.598
94.096
93.715
91.749
91.749
92.327
91.702
92.538
93.429
94.173
94.539
95.482
95.440
96.244
93.757

-27.250
-28.064
-27.918
-23.667
-22.826
-22.971
-23.165
-21.367
-20.695
-20.522
-22.773
-22.888
-21.515
-20.562
-23.676
-25.090
-25.478
-26.139
-26.776
-27.183
-21.480
-20.336
-20.806
-21.198
-19.862
-18.760
-18.560
-19.372
-17.432
-20.903
-21.347
-20.312
-19.126
-21.470
-22.149
-21.990
-21.879
-20.751
-19.571
-20.793
-20.797
-20.026
-20.718
-21.851
-19.928
-18.954
-19.083
-20.638
-20.050
-20.564
-21.988
-22.873
-19.614
-22.211
-23.487
-24.059
-24.840
-23.272
-22.256
-23.696

48.747
48.311
47.929
49.816
48.640
47.595
47.935
49.098
49.679
48.003
46.348
45.197
44.669
44.632
44.072
44.513
44.927
44.536
45.192
44.952
44.268
43.613
42.235
42.031
44.500
43.832
44.512
45.276
44.224
41.330
39.947
39.223
39.148
39.163
39.956
39.191
40.177
40.578
40.146
41.427
38.711
37.803
36.439
36.315
38.392
39.575
40.612
41.383
35.440
34.056
33.950
33.376
33.152
34.664
34.610
35.989
36.125
33.777
34.388
37.002

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.71
0.71
0.71
0.71
0.71
0.67
0.67
0.67
0.67
0.67
0.67
0.75

C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
O
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8286
8287
8288
8289
8290
8291
8292
8293
8294
8295
8296
8297
8298
8299
8300
8301
8302
8303
8304
8305
8306
8307
8308
8309
8310
8311
8312
8313
8314
8315
8316
8317
8318
8319
8320
8321
8322
8323
8324
8325
8326
8327
8328
8329
8330
8331
8332
8333
8334
8335
8336
8337
8338
8339
8340
8341
8342
8343
8344
8345

CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C

LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

284
284
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286
286
287
287
287
287
287
287
287
287
287
287
287
288
288
288
288
288
288
288
288
288
288
288
288
288
288
289
289
289
289
289
289
289
289
289
289
289
289
290
290
290

93.975
92.677
91.790
95.086
95.412
96.501
97.875
98.886
92.610
91.525
92.099
93.004
90.682
89.210
90.827
88.562
91.487
91.834
90.677
89.533
90.982
89.984
90.342
91.466
89.955
89.405
89.392
88.841
89.537
90.852
88.919
89.383
89.547
88.618
87.461
89.192
90.105
89.991
91.184
90.936
91.673
91.764
92.733
92.823
93.308
89.163
88.450
88.693
89.750
88.959
88.941
90.026
87.935
90.119
88.029
89.121
89.224
87.704
87.782
87.792

-24.162
-24.064
-23.265
-23.320
-23.792
-22.961
-23.298
-22.656
-24.906
-24.878
-24.598
-25.301
-26.169
-25.807
-27.215
-24.907
-23.640
-23.325
-23.759
-23.375
-24.645
-25.148
-24.656
-24.858
-26.675
-27.214
-28.739
-29.254
-29.850
-29.994
-30.297
-23.959
-23.344
-24.029
-24.316
-21.857
-21.094
-21.046
-20.300
-20.245
-19.761
-19.968
-18.862
-19.073
-18.518
-24.272
-24.990
-24.289
-23.689
-26.431
-27.177
-27.033
-28.087
-27.805
-28.870
-28.726
-29.498
-24.411
-23.906
-25.103

38.382
39.189
38.886
39.027
40.446
41.105
40.551
41.391
40.213
41.194
42.588
43.036
41.077
40.833
42.196
41.898
43.264
44.662
45.559
45.321
46.493
47.454
48.855
49.325
47.427
46.108
46.137
44.873
43.905
43.996
42.819
49.443
50.772
51.767
51.452
50.705
49.744
48.419
50.093
47.923
48.919
51.305
48.967
51.362
50.186
52.947
54.017
55.351
55.570
54.121
52.784
51.928
52.484
50.782
51.341
50.492
49.381
56.215
57.595
58.545

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90

C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8346
8347
8348
8349
8350
8351
8352
8353
8354
8355
8356
8357
8358
8359
8360
8361
8362
8363
8364
8365
8366
8367
8368
8369
8370
8371
8372
8373
8374
8375
8376
8377
8378
8379
8380
8381
8382
8383
8384
8385
8386
8387
8388
8389
8390
8391
8392
8393
8394
8395
8396
8397
8398
8399
8400
8401
8402
8403
8404
8405

O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N

SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ARG

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

290
290
290
291
291
291
291
291
291
291
291
291
291
291
292
292
292
292
292
292
292
293
293
293
293
293
293
293
293
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298

87.310
86.571
86.463
88.375
88.432
88.441
89.067
89.696
90.722
92.129
92.203
93.346
94.506
93.357
87.861
87.958
89.416
90.204
87.036
87.458
85.564
89.836
91.234
91.477
92.535
91.624
93.140
93.720
93.195
90.490
90.513
90.192
89.229
89.482
89.415
90.926
90.664
89.305
88.609
91.713
93.144
94.020
95.292
94.989
88.971
87.837
86.598
85.475
88.290
88.838
89.326
86.827
85.735
85.605
86.553
85.976
85.960
86.169
85.734
84.437

-26.186
-23.030
-21.964
-24.879
-25.868
-25.054
-23.984
-26.729
-26.590
-27.039
-28.486
-29.149
-28.540
-30.433
-25.611
-24.990
-25.080
-25.905
-25.671
-27.024
-25.589
-24.137
-24.166
-25.280
-25.905
-22.796
-22.710
-20.991
-20.469
-25.474
-26.572
-27.897
-27.979
-26.301
-27.367
-28.940
-30.304
-30.833
-31.569
-31.318
-31.009
-32.237
-31.893
-31.505
-30.443
-31.024
-30.123
-30.589
-31.458
-30.346
-32.587
-28.824
-27.861
-26.903
-26.676
-27.105
-28.031
-29.230
-27.460
-26.283

58.211
57.921
56.976
59.709
60.795
62.097
62.143
60.587
61.714
61.416
61.241
61.272
61.484
61.043
63.144
64.485
64.962
64.513
65.500
65.636
65.080
65.785
66.254
67.286
67.311
66.779
66.981
67.167
65.557
68.157
69.141
68.438
67.685
70.239
71.199
68.819
68.302
68.786
68.097
68.767
68.329
68.588
69.368
70.754
70.014
70.758
70.856
70.700
72.163
72.881
72.089
71.029
71.247
70.060
69.309
72.561
73.788
73.749
74.946
69.979

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.90
0.90
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.70

O
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
O
C
N
C
C
O
C
C
S
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
O
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8406
8407
8408
8409
8410
8411
8412
8413
8414
8415
8416
8417
8418
8419
8420
8421
8422
8423
8424
8425
8426
8427
8428
8429
8430
8431
8432
8433
8434
8435
8436
8437
8438
8439
8440
8441
8442
8443
8444
8445
8446
8447
8448
8449
8450
8451
8452
8453
8454
8455
8456
8457
8458
8459
8460
8461
8462
8463
8464
8465

CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N

ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

298
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
299
299
300
300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
303
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
304
304
304
304
305

84.085
84.582
83.825
82.573
82.115
80.985
79.649
78.678
78.872
77.479
85.883
86.578
87.604
88.312
87.309
86.378
85.271
86.374
87.710
88.623
88.234
87.322
88.984
88.730
89.904
90.313
87.456
86.912
86.233
84.778
90.374
91.535
91.125
90.200
92.621
92.983
93.922
93.917
94.641
91.872
91.656
92.772
93.943
91.715
90.603
91.013
90.253
92.378
93.301
93.066
91.990
93.152
93.704
92.880
95.019
93.375
95.511
94.685
95.172
94.113

-25.370
-23.932
-22.962
-25.439
-26.881
-26.916
-27.154
-27.809
-28.327
-27.931
-23.846
-22.578
-22.294
-23.205
-22.689
-23.021
-21.652
-20.758
-21.012
-20.555
-21.102
-21.919
-20.673
-21.050
-20.619
-19.450
-20.353
-20.964
-22.652
-22.303
-21.568
-21.383
-21.604
-22.368
-22.399
-22.378
-23.508
-24.558
-23.278
-20.959
-21.062
-21.902
-21.741
-19.663
-19.372
-18.140
-20.531
-22.776
-23.640
-23.538
-23.129
-25.093
-25.285
-25.047
-25.691
-25.214
-25.871
-25.637
-25.833
-23.864

68.872
69.123
69.213
68.627
68.399
67.384
67.945
67.304
66.095
67.851
69.382
69.676
68.574
68.126
71.021
72.193
72.691
73.765
68.215
67.150
65.772
65.645
64.766
63.362
62.482
62.493
62.865
61.570
61.769
62.729
61.692
60.802
59.345
59.061
61.154
62.640
63.066
62.388
64.060
58.462
57.015
56.388
56.746
56.399
55.384
54.591
54.447
55.476
54.720
53.213
52.766
55.176
56.588
57.680
56.780
58.962
58.064
59.154
60.403
52.474

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85

C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N
C
C
O
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8466
8467
8468
8469
8470
8471
8472
8473
8474
8475
8476
8477
8478
8479
8480
8481
8482
8483
8484
8485
8486
8487
8488
8489
8490
8491
8492
8493
8494
8495
8496
8497
8498
8499
8500
8501
8502
8503
8504
8505
8506
8507
8508
8509
8510
8511
8512
8513
8514
8515
8516
8517
8518
8519
8520
8521
8522
8523
8524
8525

CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
N
CA
C
O

VAL
VAL
VAL
VAL
VAL
VAL
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
TRP
TRP
TRP
TRP

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
307
307
307
307
307
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
311
311
312
312
312
312

94.104
94.934
95.895
94.589
96.079
94.205
94.579
95.273
94.811
93.673
94.936
95.747
95.253
96.060
97.282
97.917
97.880
95.632
95.374
95.618
96.679
96.303
96.000
96.514
95.227
96.256
94.970
95.486
95.255
94.645
94.693
94.903
95.041
95.808
95.618
94.447
96.635
94.781
94.921
93.545
92.513
93.588
92.359
92.157
92.916
92.417
91.096
90.119
91.092
91.173
90.813
90.596
90.977
89.500
89.607
90.289
90.160
89.952
91.215
91.147

-23.869
-25.042
-25.483
-22.501
-22.230
-22.317
-25.457
-26.523
-26.491
-26.834
-27.879
-29.011
-30.346
-31.461
-31.807
-31.140
-32.829
-25.832
-25.686
-27.011
-27.619
-24.629
-23.256
-22.925
-22.340
-21.678
-21.089
-20.761
-19.536
-27.408
-28.655
-29.868
-29.758
-28.573
-27.392
-27.128
-26.741
-31.038
-32.305
-32.948
-32.371
-34.214
-34.976
-35.116
-35.854
-36.327
-37.104
-36.529
-38.267
-34.392
-34.463
-35.914
-36.279
-33.689
-32.662
-33.441
-36.744
-38.186
-39.004
-40.004

51.003
50.463
51.096
50.485
50.735
49.017
49.254
48.514
47.055
46.728
49.133
48.506
49.056
48.557
48.964
49.918
48.382
46.254
44.813
44.107
44.271
44.227
44.819
46.063
44.123
46.604
44.660
45.905
46.431
43.294
42.513
43.437
44.654
41.455
40.499
40.140
40.190
42.817
43.548
43.675
43.330
44.049
44.254
45.767
46.402
43.527
43.612
44.148
43.164
46.321
47.753
48.200
49.308
47.863
46.738
45.616
47.248
47.456
47.741
48.449

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.85
0.85
0.85
0.85
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.88
0.88
0.88
0.88

C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8526
8527
8528
8529
8530
8531
8532
8533
8534
8535
8536
8537
8538
8539
8540
8541
8542
8543
8544
8545
8546
8547
8548
8549
8550
8551
8552
8553
8554
8555
8556
8557
8558
8559
8560
8561
8562
8563
8564
8565
8566
8567
8568
8569
8570
8571
8572
8573
8574
8575
8576
8577
8578
8579
8580
8581
8582
8583
8584
8585

CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N

TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
SER
SER
SER
SER
SER
SER
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
LEU

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

312
312
312
312
312
312
312
312
312
312
313
313
313
313
313
313
313
314
314
314
314
314
314
314
314
315
315
315
315
315
315
316
316
316
316
316
316
316
316
317
317
317
317
317
318
318
318
318
318
318
318
318
319
319
319
319
319
319
319
320

89.160
87.694
87.075
86.714
85.775
85.509
86.728
84.319
85.538
84.333
92.352
93.598
94.888
95.925
93.831
93.735
92.867
94.807
95.991
96.132
95.320
95.944
96.322
96.020
96.830
97.165
97.468
98.017
97.889
98.478
97.967
98.658
99.356
98.418
97.268
99.913
100.756
101.953
100.171
98.944
98.268
97.959
98.725
99.200
96.812
96.474
97.430
98.107
95.022
93.904
94.228
93.498
97.497
98.327
97.509
96.436
98.768
99.495
99.635
98.029

-38.775
-38.332
-37.748
-38.637
-37.698
-38.218
-39.261
-38.407
-39.442
-39.014
-38.569
-39.362
-38.641
-39.284
-40.141
-39.256
-41.326
-37.352
-36.576
-36.496
-35.868
-35.177
-35.153
-36.130
-34.096
-37.171
-37.246
-35.941
-35.685
-38.356
-39.603
-35.141
-33.917
-32.992
-32.775
-33.130
-33.953
-34.106
-34.451
-32.524
-31.526
-30.273
-29.923
-31.129
-29.666
-28.379
-27.283
-27.421
-27.956
-28.893
-29.634
-29.893
-26.219
-25.052
-24.132
-23.669
-24.305
-25.207
-23.078
-23.932

46.279
46.306
47.338
45.370
47.102
45.913
44.127
45.227
43.430
43.978
47.204
47.298
47.715
47.874
45.998
44.876
45.868
48.031
48.440
49.960
50.634
47.828
46.344
45.627
45.919
50.450
51.898
52.481
53.677
52.193
51.722
51.626
52.060
52.847
52.471
50.871
49.901
50.205
48.912
53.973
54.816
53.992
53.091
55.965
54.263
53.633
54.110
55.135
53.901
53.417
52.128
54.487
53.330
53.672
54.577
54.189
52.406
51.568
52.712
55.783

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.84

C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8586
8587
8588
8589
8590
8591
8592
8593
8594
8595
8596
8597
8598
8599
8600
8601
8602
8603
8604
8605
8606
8607
8608
8609
8610
8611
8612
8613
8614
8615
8616
8617
8618
8619
8620
8621
8622
8623
8624
8625
8626
8627
8628
8629
8630
8631
8632
8633
8634
8635
8636
8637
8638
8639
8640
8641
8642
8643
8644
8645

CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD

LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

320
320
320
320
320
320
320
321
321
321
321
321
321
322
322
322
322
323
323
323
323
323
323
323
324
324
324
324
324
324
324
324
325
325
325
325
325
325
325
326
326
326
326
326
326
327
327
327
327
327
327
327
327
328
328
328
328
328
328
328

97.463
97.574
98.593
98.196
97.610
96.130
98.416
96.533
96.398
95.998
95.927
95.407
95.854
95.766
95.405
94.323
93.606
94.306
93.360
92.291
92.549
94.131
93.208
95.157
91.112
89.952
89.368
88.983
88.901
89.479
88.298
88.129
89.371
88.898
89.948
90.452
87.523
86.945
86.483
90.206
91.169
90.459
89.238
91.819
90.836
91.245
90.722
89.924
89.238
91.809
93.205
91.833
93.263
90.109
89.298
87.865
86.986
89.960
90.570
92.082

-22.944
-21.545
-21.206
-23.009
-22.059
-22.343
-22.166
-20.755
-19.447
-18.292
-17.140
-19.567
-20.592
-18.623
-17.614
-18.077
-19.057
-17.350
-17.526
-16.437
-15.258
-17.370
-17.271
-18.495
-16.870
-15.965
-15.648
-14.526
-16.598
-16.819
-17.516
-19.171
-16.664
-16.557
-17.249
-18.318
-17.244
-17.094
-16.695
-16.663
-17.221
-18.210
-18.160
-16.092
-15.407
-19.034
-20.027
-19.433
-20.160
-20.981
-20.358
-22.254
-19.263
-18.133
-17.398
-17.107
-16.827
-16.084
-16.176
-16.431

56.715
56.088
55.486
58.061
59.117
59.399
60.411
56.297
55.617
56.541
56.114
54.454
53.562
57.821
58.828
59.803
59.590
60.906
62.019
61.872
62.122
63.342
64.561
63.518
61.465
61.341
62.726
63.036
60.429
59.027
57.819
58.450
63.581
64.970
65.853
65.501
65.086
66.485
64.101
67.014
67.983
68.915
69.080
68.790
69.573
69.594
70.560
71.734
72.442
71.085
71.241
70.245
72.312
71.985
72.975
72.502
73.315
73.396
74.801
74.823

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76

C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8646
8647
8648
8649
8650
8651
8652
8653
8654
8655
8656
8657
8658
8659
8660
8661
8662
8663
8664
8665
8666
8667
8668
8669
8670
8671
8672
8673
8674
8675
8676
8677
8678
8679
8680
8681
8682
8683
8684
8685
8686
8687
8688
8689
8690
8691
8692
8693
8694
8695
8696
8697
8698
8699
8700
8701
8702
8703
8704
8705

OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG

GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

328
328
329
329
329
329
329
329
329
329
329
330
330
330
330
330
330
330
331
331
331
331
332
332
332
332
332
332
332
332
332
332
332
332
332
332
333
333
333
333
333
333
333
333
333
333
333
333
334
334
334
334
334
334
335
335
335
335
335
335

92.753
92.549
87.660
86.360
85.658
86.329
86.546
86.909
85.739
84.768
85.840
84.319
83.479
83.637
83.618
82.045
82.189
83.485
83.757
83.805
82.934
83.317
81.727
80.769
80.686
81.708
79.404
79.450
80.305
78.595
80.043
79.004
77.512
78.341
76.856
77.270
79.492
79.267
79.885
79.866
77.768
77.048
77.507
75.894
76.831
75.212
75.682
74.955
80.628
81.179
80.703
80.317
82.707
83.285
80.629
80.114
80.837
81.549
78.599
78.236

-16.048
-16.974
-17.130
-16.817
-18.063
-19.008
-15.758
-14.362
-13.717
-13.319
-13.618
-18.068
-19.166
-19.344
-18.367
-18.736
-17.837
-17.087
-20.612
-21.013
-22.252
-23.349
-22.029
-23.120
-23.357
-23.282
-22.808
-22.853
-22.193
-23.562
-22.461
-23.292
-24.403
-23.868
-24.989
-24.726
-23.636
-23.886
-22.769
-21.595
-23.945
-25.187
-25.901
-25.607
-27.015
-26.729
-27.428
-28.448
-23.196
-22.275
-22.742
-23.900
-22.203
-23.488
-21.795
-22.039
-21.165
-20.229
-21.796
-20.407

73.836
75.846
71.188
70.581
70.003
69.574
69.493
69.996
70.739
70.056
71.978
70.044
69.523
68.009
67.257
69.830
71.054
70.772
67.613
66.193
65.957
66.357
65.451
65.179
63.669
62.984
65.812
67.334
68.114
68.159
69.385
69.455
67.924
70.526
68.998
70.298
63.152
61.720
60.885
61.255
61.405
61.940
63.046
61.290
63.495
61.738
62.840
63.346
59.893
58.891
57.519
57.331
58.981
58.742
56.605
55.247
54.222
54.581
55.209
55.737

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80
0.80
0.80
0.80
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85

O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8706
8707
8708
8709
8710
8711
8712
8713
8714
8715
8716
8717
8718
8719
8720
8721
8722
8723
8724
8725
8726
8727
8728
8729
8730
8731
8732
8733
8734
8735
8736
8737
8738
8739
8740
8741
8742
8743
8744
8745
8746
8747
8748
8749
8750
8751
8752
8753
8754
8755
8756
8757
8758
8759
8760
8761
8762
8763
8764
8765

CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG

PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

335
335
335
335
335
336
336
336
336
337
337
337
337
337
337
337
337
337
337
337
338
338
338
338
338
338
338
338
338
339
339
339
339
339
339
339
339
340
340
340
340
340
340
340
340
340
341
341
341
341
341
341
341
341
342
342
342
342
342
342

78.263
77.996
78.049
77.785
77.808
80.605
81.152
80.019
78.956
80.254
79.344
80.170
81.356
78.254
78.812
79.226
78.836
79.652
79.257
79.662
79.560
80.273
79.479
78.347
80.547
81.406
81.778
82.044
81.746
80.057
79.505
79.686
80.739
80.197
80.216
79.440
81.072
78.661
78.648
79.050
78.361
77.250
76.859
77.550
77.054
77.516
80.264
80.789
80.565
80.508
82.274
82.893
82.174
84.010
80.635
80.373
80.894
80.170
80.973
80.628

-19.311
-20.239
-18.039
-18.967
-17.868
-21.508
-20.765
-20.280
-20.900
-19.125
-18.500
-17.614
-17.388
-17.682
-16.509
-16.706
-15.240
-15.625
-14.158
-14.353
-17.202
-16.409
-15.172
-15.277
-17.252
-18.475
-19.244
-18.560
-20.490
-14.022
-12.735
-12.670
-13.034
-11.546
-11.716
-10.263
-10.681
-12.153
-11.988
-10.556
-9.592
-12.290
-13.766
-14.629
-16.071
-16.865
-10.440
-9.142
-9.039
-10.068
-9.062
-7.717
-6.690
-7.782
-7.831
-7.517
-8.552
-8.909
-6.148
-5.028

54.884
57.094
55.396
57.605
56.755
52.955
51.812
50.907
50.826
50.312
49.333
48.398
48.635
50.039
50.846
52.156
50.281
52.915
51.040
52.355
47.297
46.285
45.885
45.406
45.043
45.372
44.114
43.097
44.214
46.187
45.724
44.196
43.666
46.411
47.941
46.036
48.679
43.533
42.070
41.709
42.047
41.522
41.645
40.587
40.682
39.537
41.195
40.741
39.228
38.583
41.100
40.723
40.736
40.202
38.680
37.257
36.240
35.319
36.904
37.896

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.78
0.78
0.78
0.78
0.78
0.78

C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8766
8767
8768
8769
8770
8771
8772
8773
8774
8775
8776
8777
8778
8779
8780
8781
8782
8783
8784
8785
8786
8787
8788
8789
8790
8791
8792
8793
8794
8795
8796
8797
8798
8799
8800
8801
8802
8803
8804
8805
8806
8807
8808
8809
8810
8811
8812
8813
8814
8815
8816
8817
8818
8819
8820
8821
8822
8823
8824
8825

CD
CE
NZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA

LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ILE
ILE

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

342
342
342
343
343
343
343
343
343
343
343
343
344
344
344
344
344
344
345
345
345
345
345
345
345
345
346
346
346
346
346
346
346
347
347
347
347
347
347
347
348
348
348
348
348
348
349
349
349
349
349
349
349
349
350
350
350
350
351
351

79.123
78.872
77.437
82.108
82.720
83.285
83.843
83.823
83.283
83.561
85.059
85.263
83.175
83.791
83.144
82.442
85.304
85.749
83.455
82.881
83.908
85.091
82.450
81.308
81.009
80.800
83.417
84.278
83.961
82.910
84.067
85.270
83.797
84.775
84.581
84.760
85.580
85.656
86.796
86.059
83.938
83.915
83.615
83.110
82.843
83.032
83.973
83.667
82.966
83.530
84.958
85.477
84.864
84.581
81.856
81.122
81.276
81.281
81.455
81.659

-4.790
-3.714
-3.440
-9.060
-10.064
-11.351
-12.181
-9.417
-8.806
-7.304
-6.997
-5.573
-11.500
-12.640
-12.895
-12.043
-12.406
-10.842
-14.061
-14.515
-14.357
-14.635
-15.978
-16.208
-15.300
-17.348
-13.935
-13.621
-14.641
-14.518
-12.182
-11.744
-11.154
-15.701
-16.768
-16.208
-15.313
-17.801
-16.962
-15.888
-16.701
-16.238
-17.390
-18.441
-15.155
-13.671
-17.157
-18.025
-17.174
-16.190
-18.691
-19.787
-19.205
-21.027
-17.730
-17.180
-18.125
-19.347
-17.534
-18.274

38.045
39.100
39.251
36.470
35.575
36.191
35.472
34.747
33.451
33.393
33.487
33.760
37.506
38.206
39.567
40.122
38.331
39.169
40.108
41.385
42.502
42.324
41.260
40.260
39.457
40.241
43.651
44.805
45.912
46.555
45.315
46.154
44.209
46.017
47.016
48.433
48.663
46.675
46.106
45.306
49.344
50.744
51.707
51.302
50.921
49.866
52.961
54.113
55.182
55.670
54.653
53.705
56.103
53.570
55.662
56.812
58.007
57.847
59.177
60.437

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.78
0.78
0.78
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.94
0.94
0.94
0.94
0.94
0.94
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94
0.94
0.94
0.94
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.93
0.93
0.93
0.93
0.82
0.82

C
C
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8826
8827
8828
8829
8830
8831
8832
8833
8834
8835
8836
8837
8838
8839
8840
8841
8842
8843
8844
8845
8846
8847
8848
8849
8850
8851
8852
8853
8854
8855
8856
8857
8858
8859
8860
8861
8862
8863
8864
8865
8866
8867
8868
8869
8870
8871
8872
8873
8874
8875
8876
8877
8878
8879
8880
8881
8882
8883
8884
8885

C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
N
CA
C
O

ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

351
351
351
351
351
351
352
352
352
352
352
352
352
352
352
353
353
353
353
353
353
353
353
354
354
354
354
354
354
354
355
355
355
355
355
355
355
355
355
355
356
356
356
356
356
356
356
356
357
357
357
357
358
358
358
358
359
359
359
359

80.528
80.394
83.025
84.224
83.221
84.564
79.771
78.793
79.549
80.155
77.852
76.846
76.080
76.733
74.854
79.444
80.093
79.012
78.346
80.873
81.900
82.910
83.891
78.768
77.654
77.979
79.021
77.231
76.123
76.717
76.953
76.893
76.184
75.013
76.081
76.608
77.679
76.041
77.778
76.757
76.967
76.473
76.868
78.048
77.013
76.594
75.579
77.382
75.835
76.013
75.219
74.583
75.222
74.420
73.080
72.860
72.174
70.810
69.752
68.548

-17.906
-16.746
-17.979
-18.226
-18.804
-17.013
-18.926
-18.838
-18.831
-19.823
-20.033
-20.009
-21.320
-22.377
-21.238
-17.707
-17.509
-17.490
-16.477
-16.193
-16.101
-14.580
-14.940
-18.661
-18.853
-18.301
-18.586
-20.335
-20.641
-20.770
-17.682
-17.262
-18.369
-18.677
-15.973
-14.856
-14.111
-14.430
-13.239
-13.409
-19.026
-20.137
-19.929
-19.973
-21.447
-22.674
-22.575
-23.636
-19.740
-19.481
-20.463
-20.062
-21.734
-22.802
-22.953
-22.331
-23.693
-23.914
-23.232
-23.416

61.400
61.805
61.101
60.176
62.382
59.302
61.763
62.855
64.191
64.604
62.784
63.929
63.999
63.879
64.208
64.871
66.179
67.263
67.485
66.182
65.050
65.134
66.575
67.836
68.790
70.184
70.774
68.845
69.862
67.476
70.745
72.154
72.943
72.712
72.298
71.402
71.647
70.277
70.653
69.823
73.786
74.607
76.074
76.412
74.025
74.831
75.570
74.781
76.900
78.345
79.215
80.187
78.786
79.413
78.679
77.639
79.308
78.774
79.660
79.505

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.68
0.68
0.68
0.68

C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8886
8887
8888
8889
8890
8891
8892
8893
8894
8895
8896
8897
8898
8899
8900
8901
8902
8903
8904
8905
8906
8907
8908
8909
8910
8911
8912
8913
8914
8915
8916
8917
8918
8919
8920
8921
8922
8923
8924
8925
8926
8927
8928
8929
8930
8931
8932
8933
8934
8935
8936
8937
8938
8939
8940
8941
8942
8943
8944
8945

CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB

LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

359
359
359
359
359
360
360
360
360
360
360
360
360
361
361
361
361
361
361
361
362
362
362
362
362
362
362
362
362
362
362
362
362
362
363
363
363
363
363
363
363
363
363
363
364
364
364
364
364
364
365
365
365
365
365
366
366
366
366
366

70.553
69.388
69.093
70.166
70.041
70.242
69.408
69.440
69.382
69.855
69.352
68.139
70.215
69.570
69.559
69.468
69.474
70.795
70.625
72.127
69.410
69.376
70.644
71.740
69.094
70.112
70.069
71.249
71.125
71.866
71.783
73.028
72.939
73.561
70.406
71.411
71.232
70.125
71.094
72.204
73.192
72.255
73.847
73.273
72.255
72.180
73.566
74.563
71.518
71.061
73.625
74.859
75.144
74.250
74.760
76.426
76.964
77.578
77.906
78.031

-25.424
-25.763
-27.265
-28.100
-28.056
-22.355
-21.534
-20.044
-19.163
-21.752
-23.082
-23.348
-23.821
-19.793
-18.437
-18.545
-19.648
-17.627
-16.256
-18.188
-17.394
-17.310
-17.869
-17.893
-15.876
-14.858
-14.237
-14.425
-13.432
-13.522
-14.692
-12.879
-14.037
-13.132
-18.380
-19.053
-18.527
-18.596
-20.549
-21.417
-21.958
-21.909
-22.799
-22.764
-17.866
-17.282
-17.198
-17.586
-15.905
-15.479
-16.665
-16.624
-15.250
-14.429
-17.689
-15.045
-13.918
-14.495
-15.685
-13.194

78.676
77.730
77.680
76.969
75.504
80.536
81.428
81.048
81.905
82.879
83.443
83.305
83.964
79.749
79.160
77.630
77.079
79.609
79.228
79.092
76.972
75.502
74.835
75.399
75.040
75.553
76.729
74.890
76.843
75.740
73.634
75.338
73.227
74.079
73.637
72.800
71.374
70.845
72.842
72.252
72.956
71.018
72.161
70.963
70.854
69.499
68.852
69.465
69.598
68.312
67.640
66.842
66.224
66.013
65.748
65.978
65.199
63.916
63.856
66.026

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.68
0.68
0.68
0.68
0.68
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.84
0.84
0.84
0.84
0.84
0.84
0.87
0.87
0.87
0.87
0.87
0.89
0.89
0.89
0.89
0.89

C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

8946
8947
8948
8949
8950
8951
8952
8953
8954
8955
8956
8957
8958
8959
8960
8961
8962
8963
8964
8965
8966
8967
8968
8969
8970
8971
8972
8973
8974
8975
8976
8977
8978
8979
8980
8981
8982
8983
8984
8985
8986
8987
8988
8989
8990
8991
8992
8993
8994
8995
8996
8997
8998
8999
9000
9001
9002
9003
9004
9005

N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA

THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
SER
SER

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

367
367
367
367
367
367
367
368
368
368
368
368
369
369
369
369
369
369
369
369
370
370
370
370
370
370
370
370
370
370
370
370
371
371
371
371
371
371
372
372
372
372
372
372
372
372
373
373
373
373
373
373
373
373
374
374
374
374
375
375

77.725
78.240
79.444
79.316
77.137
75.993
77.605
80.603
81.850
82.025
81.573
83.037
82.633
82.770
84.148
84.510
81.608
80.290
81.888
79.025
84.821
86.096
85.902
85.257
87.183
87.600
86.680
88.908
87.057
89.293
88.364
88.739
86.400
86.362
87.768
88.667
85.435
83.656
87.927
89.174
89.433
88.652
89.059
90.386
91.350
90.134
90.473
90.855
92.360
93.136
90.395
88.957
88.388
87.858
92.728
94.131
95.103
94.796
96.269
97.383

-13.653
-14.101
-13.254
-12.052
-14.069
-14.791
-14.689
-13.897
-13.304
-13.747
-14.832
-13.799
-12.897
-13.149
-12.707
-11.530
-12.494
-13.239
-12.415
-12.620
-13.675
-13.464
-13.780
-14.767
-14.373
-13.956
-13.928
-13.553
-13.481
-13.108
-13.066
-12.613
-12.874
-13.013
-12.871
-12.305
-11.954
-12.185
-13.436
-13.348
-11.894
-11.305
-14.236
-14.360
-15.325
-14.790
-11.313
-9.917
-9.749
-10.120
-9.036
-8.556
-7.608
-8.954
-9.203
-8.884
-10.014
-11.211
-9.594
-10.512

62.907
61.598
61.183
60.947
60.526
60.993
59.204
61.190
60.667
59.210
58.843
61.491
58.393
56.943
56.437
56.523
56.155
56.441
54.641
55.833
55.835
55.128
53.647
53.290
55.707
57.119
58.164
57.345
59.416
58.601
59.630
60.846
52.825
51.358
50.771
51.405
50.754
51.120
49.580
48.799
48.376
47.625
47.557
46.798
47.488
45.355
48.954
48.680
48.501
49.381
49.835
49.668
51.123
52.159
47.332
47.009
47.383
47.300
47.840
48.155

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.89
0.89
0.89
0.89
0.88
0.88

N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9006
9007
9008
9009
9010
9011
9012
9013
9014
9015
9016
9017
9018
9019
9020
9021
9022
9023
9024
9025
9026
9027
9028
9029
9030
9031
9032
9033
9034
9035
9036
9037
9038
9039
9040
9041
9042
9043
9044
9045
9046
9047
9048
9049
9050
9051
9052
9053
9054
9055
9056
9057
9058
9059
9060
9061
9062
9063
9064
9065

C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB

SER
SER
SER
SER
GLY
GLY
GLY
GLY
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C

375
375
375
375
376
376
376
376
377
377
377
377
377
377
377
377
377
378
378
378
378
378
378
378
378
379
379
379
379
379
379
379
379
380
380
380
380
380
380
380
380
380
380
380
380
380
380
381
381
381
381
381
381
381
381
382
382
382
382
382

97.909
97.330
98.515
98.006
98.851
99.517
99.069
98.749
98.991
98.546
97.233
96.937
99.570
101.026
101.482
100.945
102.554
96.392
95.230
95.783
96.724
94.447
93.070
92.126
93.142
95.221
95.797
95.149
95.842
95.823
97.112
98.368
97.235
93.820
93.072
91.942
91.281
92.567
92.978
93.951
92.431
94.045
93.138
91.448
92.865
91.187
91.894
91.770
90.734
89.457
89.472
91.287
91.728
92.393
91.392
88.445
87.120
86.805
87.092
86.043

-10.303
-9.528
-10.302
-10.544
-11.174
-11.109
-12.297
-13.372
-12.031
-13.008
-12.466
-11.288
-13.052
-13.150
-14.569
-15.297
-14.939
-13.334
-12.867
-12.074
-12.516
-14.114
-13.818
-14.951
-13.739
-10.894
-9.957
-9.958
-9.945
-8.510
-8.077
-8.328
-8.697
-9.955
-9.751
-10.751
-11.209
-8.305
-7.630
-8.021
-6.472
-7.169
-6.206
-5.589
-5.061
-4.432
-4.169
-11.069
-11.991
-11.224
-10.000
-12.802
-11.937
-10.908
-12.313
-11.996
-11.471
-11.837
-12.935
-12.044

49.575
50.320
47.152
45.842
49.957
51.268
52.119
51.608
53.407
54.419
54.993
54.848
55.558
55.085
54.752
53.933
55.414
55.543
56.324
57.525
58.182
56.743
57.339
56.943
58.867
57.766
58.755
60.139
61.155
58.238
57.520
58.360
56.133
60.150
61.392
61.602
60.659
61.452
62.765
63.593
63.296
64.607
64.458
62.857
65.191
63.582
64.750
62.865
63.360
63.747
63.896
64.544
65.730
65.478
66.873
64.105
64.471
65.920
66.403
63.535

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82

C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
TER
ATOM
ATOM

9066
9067
9068
9069
9070
9071
9072
9073
9074
9075
9076
9077
9078
9079
9080
9081
9082
9083
9084
9085
9086
9087
9088
9089
9090
9091
9092
9093
9094
9095
9096
9097
9098
9099
9100
9101
9102
9103
9104
9105
9106
9107
9108
9109
9110
9111
9112
9113
9114
9115
9116
9117
9118
9119
9120
9121
9122
9123
9124
9125

OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
OXT

THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
N GLU
CA GLU

C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
D
D

382
382
383
383
383
383
383
383
383
384
384
384
384
384
384
384
385
385
385
385
386
386
386
386
386
386
386
387
387
387
387
387
387
387
387
388
388
388
388
388
388
388
388
389
389
389
389
389
390
390
390
390
390
390
390
390
390
390
1
1

86.373
84.648
86.222
85.643
84.155
83.765
86.397
87.890
86.222
83.365
81.913
81.577
80.597
81.075
81.222
81.447
82.345
82.181
81.013
80.875
80.196
79.010
79.424
80.159
78.059
76.822
77.578
78.755
78.763
77.356
76.381
79.084
79.079
78.545
79.523
77.310
76.026
75.261
74.054
76.185
76.511
76.403
74.635
75.959
75.345
74.674
74.154
76.404
74.639
73.967
72.499
72.155
74.769
76.210
76.860
76.302
71.756

-11.703
-11.481
-10.853
-10.994
-10.623
-9.904
-10.119
-10.467
-8.616
-11.020
-10.742
-9.439
-8.778
-11.905
-11.989
-13.244
-9.194
-8.012
-8.153
-7.365
-9.182
-9.445
-9.963
-10.943
-10.423
-10.789
-9.822
-9.377
-9.835
-10.384
-9.634
-8.646
-8.981
-10.056
-8.114
-11.662
-12.351
-11.916
-12.137
-13.872
-14.365
-16.183
-16.399
-11.293
-10.805
-9.423
-8.881
-10.797
-8.882
-7.595
-7.744
-8.839
-6.771
-6.479
-5.510
-5.888
-6.748

62.191
63.821
66.580
67.925
67.813
66.892
68.949
68.990
68.709
68.792
68.738
69.475
69.142
69.288
70.710
68.643
70.556
71.424
72.414
73.347
72.210
73.043
74.426
74.562
72.330
73.162
71.010
75.404
76.799
77.081
77.124
77.715
79.214
79.580
79.988
77.442
77.689
78.950
79.033
77.662
76.249
76.071
76.067
79.901
81.152
81.028
82.002
82.258
79.811
79.548
79.118
78.618
78.532
78.985
78.005
80.396
79.279

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.84
0.84
0.84
0.84
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.66
0.66
0.66
0.66
0.66
0.66
0.66
0.66
0.61
0.61
0.61
0.61
0.61
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58

O
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
C
C
C
O

60.881 11.112 29.617 1.00 0.76

60.708 11.461 31.039 1.00 0.76

N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9126
9127
9128
9129
9130
9131
9132
9133
9134
9135
9136
9137
9138
9139
9140
9141
9142
9143
9144
9145
9146
9147
9148
9149
9150
9151
9152
9153
9154
9155
9156
9157
9158
9159
9160
9161
9162
9163
9164
9165
9166
9167
9168
9169
9170
9171
9172
9173
9174
9175
9176
9177
9178
9179
9180
9181
9182
9183
9184
9185

C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O

GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
PRO
PRO
PRO
PRO

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

1
1
1
1
1
1
1
2
2
2
2
2
2
2
3
3
3
3
3
3
3
3
3
4
4
4
4
4
4
4
4
4
4
4
4
4
4
5
5
5
5
5
5
5
6
6
6
6
6
6
6
6
6
6
6
6
7
7
7
7

59.199
58.358
61.483
60.708
60.468
59.557
61.304
58.849
57.458
56.981
57.735
57.501
58.917
59.737
55.707
55.046
54.733
54.847
53.797
52.998
52.329
53.042
51.106
54.493
54.125
52.675
51.803
54.277
55.711
56.087
56.795
57.347
57.815
57.005
59.049
58.242
59.260
52.458
51.116
50.272
50.741
51.233
51.543
50.020
49.000
47.923
46.706
46.569
47.511
48.596
49.642
48.487
50.583
49.423
50.465
51.374
45.875
44.584
43.613
43.506

11.555
11.480
12.773
14.069
14.307
13.669
15.042
11.720
11.986
13.327
14.060
12.000
12.475
11.752
13.598
14.828
15.784
15.412
14.448
13.248
13.509
13.407
13.746
17.045
18.050
17.841
17.514
19.470
19.835
20.269
19.993
20.696
20.545
19.704
20.816
19.961
20.515
18.017
17.917
19.160
20.297
17.625
16.239
17.984
18.864
19.853
19.438
18.247
19.925
20.578
19.805
21.915
20.368
22.481
21.702
22.241
20.397
20.092
19.540
20.052

31.407
30.503
31.293
31.018
29.530
28.956
28.968
32.692
33.102
32.526
31.900
34.631
34.939
33.876
32.713
32.235
33.396
34.565
31.419
31.959
33.310
34.332
33.281
33.062
34.077
34.526
33.717
33.530
33.139
31.938
33.985
31.988
33.225
35.328
33.795
35.891
35.134
35.822
36.431
36.121
36.183
37.942
38.100
38.812
35.889
35.718
36.557
36.865
34.245
33.391
32.905
33.037
32.058
32.182
31.689
30.839
36.978
37.614
36.564
35.448

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88

C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9186
9187
9188
9189
9190
9191
9192
9193
9194
9195
9196
9197
9198
9199
9200
9201
9202
9203
9204
9205
9206
9207
9208
9209
9210
9211
9212
9213
9214
9215
9216
9217
9218
9219
9220
9221
9222
9223
9224
9225
9226
9227
9228
9229
9230
9231
9232
9233
9234
9235
9236
9237
9238
9239
9240
9241
9242
9243
9244
9245

CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
OG1
CG2

PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
CYS
CYS
CYS
CYS
CYS
CYS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
THR
THR
THR
THR
THR
THR
THR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

7
7
7
8
8
8
8
8
8
8
8
8
8
8
9
9
9
9
9
9
9
9
10
10
10
10
10
10
11
11
11
11
11
11
12
12
12
12
12
12
12
12
12
13
13
13
13
14
14
14
14
14
14
15
15
15
15
15
15
15

44.111
44.736
46.095
42.992
41.971
40.598
40.485
42.235
43.631
44.444
44.443
44.434
44.348
44.665
39.540
38.252
38.253
38.928
37.065
36.973
35.618
37.174
37.629
37.445
36.678
35.938
36.666
37.404
36.983
36.250
34.823
34.603
36.926
38.645
33.864
32.460
32.173
32.577
31.491
30.010
29.673
29.085
30.153
31.463
30.960
30.146
30.061
29.690
28.861
29.039
28.782
27.377
26.892
29.460
29.732
31.173
31.874
28.715
28.855
28.863

21.426
22.464
21.857
18.430
17.776
18.067
18.883
16.266
15.961
15.157
13.738
12.701
12.858
11.495
17.425
17.542
16.647
15.613
17.229
18.150
17.936
19.639
17.150
16.351
15.063
14.992
17.154
18.342
14.015
12.741
13.000
13.855
11.679
11.296
12.337
12.554
11.996
10.890
12.018
12.235
13.662
13.884
14.658
12.840
12.577
13.810
14.797
13.807
14.918
15.199
16.308
14.726
13.488
14.174
14.301
13.900
13.267
13.475
13.796
11.965

38.192
37.264
36.907
36.926
36.080
36.702
37.603
36.040
35.494
36.505
36.125
36.957
38.271
36.475
36.228
36.932
38.167
38.208
36.018
34.790
34.118
35.108
39.222
40.448
40.124
39.136
41.490
41.792
40.870
40.783
41.271
42.135
41.652
41.152
40.641
41.016
42.417
42.772
39.951
40.318
40.783
41.826
40.069
43.157
44.512
44.912
44.175
46.149
46.664
48.157
48.613
46.324
46.853
48.892
50.334
50.674
49.878
51.141
52.525
50.930

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.88
0.88
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.90
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86

C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C
O
N
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9246
9247
9248
9249
9250
9251
9252
9253
9254
9255
9256
9257
9258
9259
9260
9261
9262
9263
9264
9265
9266
9267
9268
9269
9270
9271
9272
9273
9274
9275
9276
9277
9278
9279
9280
9281
9282
9283
9284
9285
9286
9287
9288
9289
9290
9291
9292
9293
9294
9295
9296
9297
9298
9299
9300
9301
9302
9303
9304
9305

N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

16
16
16
16
16
16
16
16
16
16
16
17
17
17
17
17
17
17
17
17
18
18
18
18
18
18
18
18
18
19
19
19
19
19
20
20
20
20
20
20
20
20
21
21
21
21
21
21
21
21
22
22
22
22
22
22
22
22
23
23

31.565
32.852
32.631
31.667
33.579
34.302
33.757
35.568
34.484
36.293
35.751
33.577
33.532
34.909
35.929
33.135
31.793
30.533
29.418
30.668
34.907
36.141
36.882
36.253
35.740
36.944
36.468
37.649
37.164
38.182
38.993
40.161
40.371
39.512
40.799
42.038
42.353
41.968
43.182
44.559
44.589
45.621
42.938
43.479
44.933
45.277
42.620
43.203
43.236
42.436
45.751
47.158
47.343
47.530
48.119
47.889
49.593
48.081
47.203
47.390

14.269
13.873
12.867
12.941
15.073
15.958
16.288
16.417
17.065
17.194
17.515
11.949
10.863
10.716
10.984
9.559
9.655
9.772
9.757
9.797
10.330
9.980
8.910
8.006
9.415
9.110
8.477
8.162
7.533
9.098
8.244
7.572
6.370
9.091
8.331
7.919
8.858
10.033
7.950
7.564
6.123
7.762
8.244
8.935
8.500
7.324
8.581
9.070
10.599
8.443
9.475
9.244
9.785
10.991
9.911
9.423
9.746
7.914
8.886
9.243

51.882
52.472
53.596
54.357
53.067
52.052
50.816
52.391
49.927
51.498
50.261
53.689
54.681
55.326
54.685
53.975
53.228
54.100
53.614
55.411
56.601
57.331
56.513
55.968
58.697
59.590
60.894
61.810
63.043
56.365
55.477
56.196
56.055
54.312
57.084
57.754
58.922
58.926
56.725
57.279
57.795
56.200
59.938
61.114
61.325
61.185
62.335
63.668
63.766
64.829
61.694
62.064
63.481
63.665
61.057
59.614
61.466
59.386
64.445
65.861

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89

N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9306
9307
9308
9309
9310
9311
9312
9313
9314
9315
9316
9317
9318
9319
9320
9321
9322
9323
9324
9325
9326
9327
9328
9329
9330
9331
9332
9333
9334
9335
9336
9337
9338
9339
9340
9341
9342
9343
9344
9345
9346
9347
9348
9349
9350
9351
9352
9353
9354
9355
9356
9357
9358
9359
9360
9361
9362
9363
9364
9365

C
O
CB
OG
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O

SER
SER
SER
SER
PRO
PRO
PRO
PRO
PRO
PRO
PRO
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

23
23
23
23
24
24
24
24
24
24
24
25
25
25
25
25
25
25
25
25
25
26
26
26
26
26
26
26
26
26
26
26
27
27
27
27
27
27
27
27
27
27
27
28
28
28
28
29
29
29
29
29
29
29
29
29
30
30
30
30

48.640
48.548
46.114
46.239
49.826
51.132
51.277
51.856
52.157
51.478
50.039
50.648
50.743
49.848
49.934
50.489
51.502
52.748
51.368
53.398
52.543
49.080
48.457
49.533
49.301
47.597
46.283
45.255
44.718
43.960
43.632
43.488
50.747
51.930
53.081
54.254
52.411
51.288
50.730
50.871
49.749
49.894
49.334
52.735
53.752
53.779
54.325
53.202
53.135
54.560
55.423
52.264
50.853
50.776
51.302
50.237
54.747
56.038
56.317
57.440

8.533
7.522
8.932
9.458
9.092
8.508
8.282
7.290
9.547
10.251
10.344
9.157
9.149
8.107
7.906
10.558
11.543
11.709
12.223
12.457
12.775
7.371
6.105
5.077
4.194
5.521
6.282
5.961
4.600
3.936
4.467
2.734
5.327
4.468
5.205
4.913
4.024
3.512
2.265
4.285
1.781
3.797
2.545
6.117
6.924
6.716
7.534
5.615
5.272
5.013
4.586
4.034
4.134
3.524
4.153
2.404
5.212
4.925
3.411
2.982

66.417
67.120
66.644
67.963
66.120
66.490
68.002
68.440
66.035
64.870
65.365
68.782
70.255
70.942
72.155
70.799
70.215
70.641
69.077
69.765
68.794
70.133
70.575
70.967
71.788
69.451
69.250
70.334
70.148
71.019
72.189
70.717
70.469
70.643
71.360
71.133
69.255
68.358
68.596
67.282
67.744
66.427
66.658
72.278
72.990
74.509
75.251
74.971
76.403
76.909
76.144
76.670
76.076
74.671
73.734
74.577
78.206
78.870
78.801
78.578

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.81
0.81
0.81
0.81
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67

C
O
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9366
9367
9368
9369
9370
9371
9372
9373
9374
9375
9376
9377
9378
9379
9380
9381
9382
9383
9384
9385
9386
9387
9388
9389
9390
9391
9392
9393
9394
9395
9396
9397
9398
9399
9400
9401
9402
9403
9404
9405
9406
9407
9408
9409
9410
9411
9412
9413
9414
9415
9416
9417
9418
9419
9420
9421
9422
9423
9424
9425

CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
CD1
N

ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

30
30
30
30
31
31
31
31
31
31
31
31
31
32
32
32
32
33
33
33
33
33
33
33
33
34
34
34
34
34
34
35
35
35
35
35
36
36
36
36
36
36
36
37
37
37
37
37
37
37
37
38
38
38
38
38
38
38
38
39

56.019
55.719
57.354
55.404
55.255
55.310
55.419
55.651
54.133
52.749
51.641
51.736
50.731
55.002
55.103
56.572
57.431
56.776
58.115
58.243
58.819
58.491
58.773
59.285
58.430
57.587
57.614
58.166
58.421
56.231
55.860
58.396
58.942
58.386
59.050
60.476
57.110
56.500
57.109
57.336
55.012
54.974
56.113
57.490
58.017
56.986
55.779
58.434
59.675
59.896
60.926
57.489
56.691
56.615
57.631
57.316
57.242
56.675
57.886
55.417

5.418
6.926
5.101
7.450
2.640
1.169
0.613
-0.576
0.532
1.050
0.220
0.183
-0.722
1.451
1.131
1.091
1.700
0.510
0.411
1.169
0.696
-1.059
-1.808
-1.289
-3.072
2.320
3.144
4.549
4.948
3.209
1.910
5.265
6.634
7.501
7.692
6.566
7.900
8.855
10.240
10.651
8.825
8.471
7.461
10.872
12.250
13.244
13.086
12.694
11.967
12.392
12.330
14.217
15.354
16.404
17.027
15.948
14.937
17.299
15.412
16.631

80.329
80.381
81.029
81.786
79.018
78.928
77.498
77.318
79.665
79.247
79.898
81.425
81.988
76.532
75.096
74.641
75.269
73.462
72.834
71.501
70.516
72.631
73.930
74.905
73.926
71.423
70.200
70.449
71.580
69.546
69.082
69.356
69.411
68.265
67.234
69.423
68.377
67.441
67.668
68.812
67.785
69.269
69.379
66.568
66.607
67.157
66.961
65.203
64.679
63.234
65.482
67.904
68.405
67.286
66.962
69.683
70.840
70.046
72.151
66.785

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.67
0.67
0.67
0.67
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.79
0.79
0.79
0.79
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80

C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9426
9427
9428
9429
9430
9431
9432
9433
9434
9435
9436
9437
9438
9439
9440
9441
9442
9443
9444
9445
9446
9447
9448
9449
9450
9451
9452
9453
9454
9455
9456
9457
9458
9459
9460
9461
9462
9463
9464
9465
9466
9467
9468
9469
9470
9471
9472
9473
9474
9475
9476
9477
9478
9479
9480
9481
9482
9483
9484
9485

CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
N
CA
C

ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

39
39
39
39
39
39
39
40
40
40
40
40
40
40
40
40
40
40
41
41
41
41
41
41
41
41
41
42
42
42
42
42
42
42
43
43
43
43
43
43
43
43
43
43
43
44
44
44
44
44
44
44
45
45
45
45
45
46
46
46

55.217
54.070
53.297
55.015
53.613
56.134
53.170
53.878
52.814
52.855
53.744
53.015
52.170
50.750
50.708
49.989
49.194
50.003
51.807
51.571
51.743
52.639
52.457
52.254
52.884
53.878
52.362
51.001
51.017
50.212
49.311
50.358
49.314
50.034
50.571
49.864
50.229
51.212
50.176
51.598
51.840
52.609
53.093
53.863
54.104
49.378
49.575
49.646
48.892
48.445
48.663
48.303
50.590
50.748
50.927
51.517
51.959
50.351
50.379
51.089

17.560
18.558
18.427
16.781
16.160
15.764
15.123
19.388
20.400
20.922
20.544
21.551
21.364
21.901
23.352
24.276
23.982
25.532
21.645
22.107
20.965
21.022
23.304
24.571
24.509
23.768
25.239
19.857
18.757
19.180
20.021
17.586
18.269
19.545
18.581
18.770
17.627
16.910
20.140
20.275
19.924
20.830
20.136
21.044
20.700
17.427
16.344
16.944
17.853
15.299
14.110
14.759
16.419
16.752
15.451
14.494
17.669
15.415
14.218
14.494

65.654
65.901
66.847
64.330
64.157
64.052
65.196
64.882
64.730
63.291
62.515
65.724
66.986
66.813
67.069
66.426
65.415
66.844
62.908
61.519
60.479
59.630
61.131
61.966
63.364
63.542
64.227
60.632
59.658
58.428
58.508
60.389
61.265
61.700
57.309
56.032
55.084
55.291
55.406
54.854
53.531
55.629
52.974
55.069
53.743
54.091
53.111
51.702
51.355
53.225
52.281
54.653
50.934
49.509
48.723
49.229
49.337
47.531
46.674
45.347

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.93
0.93
0.93
0.93
0.93
0.91
0.91
0.91

C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9486
9487
9488
9489
9490
9491
9492
9493
9494
9495
9496
9497
9498
9499
9500
9501
9502
9503
9504
9505
9506
9507
9508
9509
9510
9511
9512
9513
9514
9515
9516
9517
9518
9519
9520
9521
9522
9523
9524
9525
9526
9527
9528
9529
9530
9531
9532
9533
9534
9535
9536
9537
9538
9539
9540
9541
9542
9543
9544
9545

O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N

CYS
CYS
CYS
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
PHE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

46
46
46
47
47
47
47
48
48
48
48
48
48
48
49
49
49
49
49
49
49
49
49
50
50
50
50
50
50
50
50
50
51
51
51
51
51
51
52
52
52
52
52
52
52
52
52
52
52
53
53
53
53
53
53
53
53
53
53
54

51.252
48.946
47.925
51.577
52.079
51.179
50.195
51.581
50.866
50.838
49.880
51.645
52.246
52.629
51.865
52.095
51.863
51.737
53.513
53.723
52.945
53.632
54.944
51.842
51.641
51.439
51.893
52.803
54.153
55.149
54.949
56.082
50.910
50.763
51.735
52.031
49.339
48.031
52.248
53.179
52.638
51.953
54.585
55.085
56.603
57.138
58.215
58.936
58.598
52.957
52.509
53.687
54.675
51.979
51.333
51.057
50.941
50.507
50.420
53.573

15.638
13.758
13.459
13.395
13.336
12.388
11.869
12.070
11.094
9.681
8.940
11.083
12.484
12.760
9.364
7.993
7.798
6.663
7.552
7.576
6.484
5.118
5.145
8.893
8.824
10.186
11.209
8.119
8.844
8.325
7.205
9.097
10.105
11.247
11.058
9.931
11.261
11.449
12.172
12.172
13.078
14.073
12.612
11.777
11.764
10.937
11.214
12.299
10.378
12.683
13.362
14.145
13.552
12.290
12.830
12.089
14.079
12.881
14.113
15.458

44.910
46.388
47.878
44.787
43.411
42.596
43.132
41.360
40.511
41.117
40.931
39.195
39.128
40.580
41.907
42.398
43.902
44.353
42.009
40.487
39.741
39.842
39.178
44.668
46.128
46.795
46.289
46.841
46.766
47.810
48.330
48.105
48.006
48.920
50.089
50.504
49.472
48.209
50.578
51.718
52.820
52.554
51.298
50.116
49.989
51.084
51.812
51.568
52.769
54.038
55.257
55.849
56.289
56.217
57.498
58.567
57.762
59.481
58.985
55.733

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.89
0.89
0.89
0.89
0.89
0.89
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.91

O
C
S
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9546
9547
9548
9549
9550
9551
9552
9553
9554
9555
9556
9557
9558
9559
9560
9561
9562
9563
9564
9565
9566
9567
9568
9569
9570
9571
9572
9573
9574
9575
9576
9577
9578
9579
9580
9581
9582
9583
9584
9585
9586
9587
9588
9589
9590
9591
9592
9593
9594
9595
9596
9597
9598
9599
9600
9601
9602
9603
9604
9605

CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C

PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

54
54
54
54
54
54
54
54
54
54
55
55
55
55
55
56
56
56
56
56
56
56
56
57
57
57
57
57
57
57
58
58
58
58
58
58
58
58
58
58
59
59
59
59
59
59
59
59
59
59
59
59
60
60
60
60
60
61
61
61

54.600
54.229
53.057
54.757
55.357
54.525
56.732
55.076
57.281
56.454
55.258
55.142
56.462
57.502
54.734
56.374
57.518
57.779
57.034
57.199
57.491
56.815
56.949
58.693
59.056
59.847
60.620
59.814
59.957
61.202
59.723
60.589
61.861
62.478
59.809
59.143
57.871
59.771
57.725
58.899
62.198
63.385
63.452
64.516
64.635
65.643
66.391
65.792
67.279
66.687
67.426
68.294
62.276
62.123
60.981
60.090
61.846
61.082
60.088
59.426

16.416
17.036
17.057
17.542
17.051
16.586
17.095
16.159
16.667
16.196
17.513
18.155
18.810
18.620
17.116
19.587
20.286
19.695
19.923
21.779
22.636
22.147
24.029
18.738
18.094
19.073
19.888
16.770
16.098
16.952
18.877
19.554
18.748
18.877
19.815
21.185
21.447
22.331
22.767
23.311
17.856
16.985
16.155
15.908
17.860
17.193
16.105
17.677
15.491
17.071
15.974
15.360
15.794
14.989
13.986
14.193
15.907
12.874
11.787
11.530

56.187
57.534
57.923
55.164
53.848
52.836
53.664
51.635
52.462
51.448
58.224
59.549
59.969
59.335
60.602
61.040
61.649
63.033
63.988
61.769
60.533
59.251
60.826
63.062
64.337
65.215
64.707
64.124
65.379
63.501
66.519
67.504
67.800
68.855
68.794
68.760
68.472
68.993
68.511
68.841
66.862
66.915
68.217
68.779
66.740
65.812
66.238
64.522
65.371
63.651
64.077
63.235
68.725
69.950
69.764
68.935
71.146
70.477
70.408
71.767

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.84
0.84
0.84
0.84
0.84
0.86
0.86
0.86

C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9606
9607
9608
9609
9610
9611
9612
9613
9614
9615
9616
9617
9618
9619
9620
9621
9622
9623
9624
9625
9626
9627
9628
9629
9630
9631
9632
9633
9634
9635
9636
9637
9638
9639
9640
9641
9642
9643
9644
9645
9646
9647
9648
9649
9650
9651
9652
9653
9654
9655
9656
9657
9658
9659
9660
9661
9662
9663
9664
9665

O
CB
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
ND2
N
CA

ALA
ALA
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

61
61
62
62
62
62
62
62
62
62
62
63
63
63
63
63
63
63
64
64
64
64
65
65
65
65
66
66
66
66
66
66
66
66
66
66
66
66
67
67
67
67
67
67
67
67
67
67
67
67
68
68
68
68
68
68
68
68
69
69

59.893
60.769
58.296
57.543
57.519
57.198
56.111
55.382
53.893
53.323
53.241
57.883
58.421
59.875
60.589
58.291
58.478
57.768
60.247
61.606
61.855
61.056
62.934
63.336
63.567
64.170
63.036
63.192
61.834
61.572
64.082
65.475
66.442
65.804
67.741
67.102
68.072
69.328
60.942
59.584
59.523
58.660
58.612
58.390
58.607
57.893
58.338
57.615
57.839
57.593
60.418
60.462
60.797
61.767
61.518
61.424
61.548
61.182
59.944
60.115

12.011
10.516
10.835
10.436
8.897
8.230
10.966
10.790
10.476
10.384
10.252
8.375
9.133
9.552
8.932
8.177
6.805
6.941
10.657
11.217
12.174
12.242
12.951
13.894
15.338
16.118
15.692
17.054
17.718
18.228
17.030
16.452
17.209
15.215
16.732
14.735
15.496
14.996
17.639
18.208
19.730
20.375
17.594
16.090
15.455
15.364
14.104
14.012
13.384
12.058
20.302
21.761
22.397
22.019
22.113
23.567
23.860
24.500
23.351
24.035

72.803
69.892
71.710
72.909
73.029
72.047
72.819
74.155
73.997
72.921
75.112
74.205
75.350
75.090
74.300
76.534
75.887
74.538
75.733
75.635
76.802
77.736
76.677
77.740
77.276
78.006
76.107
75.554
75.264
74.177
74.303
74.560
75.209
74.024
75.316
74.132
74.771
74.918
76.251
76.128
76.239
75.659
77.137
76.949
75.726
78.021
75.581
77.877
76.658
76.523
77.036
77.199
75.840
75.189
78.249
78.728
79.903
77.826
75.445
74.150

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.73
0.73
0.73
0.73
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.74
0.74

O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9666
9667
9668
9669
9670
9671
9672
9673
9674
9675
9676
9677
9678
9679
9680
9681
9682
9683
9684
9685
9686
9687
9688
9689
9690
9691
9692
9693
9694
9695
9696
9697
9698
9699
9700
9701
9702
9703
9704
9705
9706
9707
9708
9709
9710
9711
9712
9713
9714
9715
9716
9717
9718
9719
9720
9721
9722
9723
9724
9725

C
O
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O

GLY
GLY
THR
THR
THR
THR
THR
THR
THR
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

69
69
70
70
70
70
70
70
70
71
71
71
71
71
71
71
71
71
71
71
72
72
72
72
72
72
72
72
72
73
73
73
73
73
73
73
73
74
74
74
74
74
74
74
74
74
74
74
75
75
75
75
75
75
75
75
76
76
76
76

59.211
58.896
58.679
57.791
56.535
55.994
57.338
56.628
58.518
56.068
54.881
55.114
54.154
54.383
52.866
52.319
50.853
50.053
50.533
48.762
56.362
56.704
56.844
56.971
57.937
59.277
60.415
61.774
62.827
56.912
56.886
58.260
58.427
55.972
54.577
53.756
54.373
59.189
60.462
61.696
61.775
60.455
59.506
59.355
58.336
58.576
59.808
57.575
62.669
63.983
64.884
64.427
63.842
63.166
63.565
62.206
66.150
67.200
67.098
67.893

23.475
24.200
22.268
21.631
22.463
22.425
20.234
20.336
19.256
23.183
24.038
25.322
25.932
24.341
24.468
24.650
24.692
25.552
26.464
25.565
25.796
26.984
26.640
25.486
27.729
27.028
28.009
27.334
28.357
27.677
27.505
27.562
27.025
28.560
28.582
27.722
29.486
28.329
28.625
28.371
28.823
30.073
30.223
31.676
32.330
33.170
33.456
33.786
27.719
27.400
26.690
26.223
26.543
25.196
24.436
24.856
26.569
25.958
24.430
23.837

73.043
72.108
73.225
72.224
71.923
70.827
72.663
73.905
72.705
72.942
72.826
72.005
71.541
74.235
74.203
75.613
75.689
75.059
74.225
75.305
71.960
71.151
69.657
69.285
71.683
71.452
71.699
71.541
71.551
68.829
67.361
66.676
65.587
66.727
67.357
66.981
68.199
67.245
66.561
67.419
68.563
66.071
64.881
64.440
65.277
66.281
66.655
66.889
66.793
67.390
66.370
65.327
68.661
68.407
67.534
69.232
66.747
65.906
65.736
65.010

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.74
0.74
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.75
0.75
0.75
0.75

C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
O
N
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9726
9727
9728
9729
9730
9731
9732
9733
9734
9735
9736
9737
9738
9739
9740
9741
9742
9743
9744
9745
9746
9747
9748
9749
9750
9751
9752
9753
9754
9755
9756
9757
9758
9759
9760
9761
9762
9763
9764
9765
9766
9767
9768
9769
9770
9771
9772
9773
9774
9775
9776
9777
9778
9779
9780
9781
9782
9783
9784
9785

CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB

LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
VAL
VAL
VAL
VAL
VAL

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

76
76
76
76
76
77
77
77
77
77
77
77
77
78
78
78
78
78
78
78
78
78
78
78
79
79
79
79
79
79
79
79
79
79
80
80
80
80
80
80
80
80
81
81
81
81
81
81
81
82
82
82
82
82
82
83
83
83
83
83

68.578
68.764
70.131
70.223
71.530
66.177
65.972
64.915
65.108
65.698
66.950
68.033
67.480
63.859
62.720
63.105
63.924
61.568
60.950
59.592
58.523
57.248
56.834
56.331
62.562
62.772
61.461
60.564
63.719
65.192
65.843
66.083
67.124
67.281
61.442
60.385
60.622
61.617
60.414
59.349
57.936
59.654
59.754
59.816
58.640
57.631
59.856
61.150
58.628
58.772
57.689
57.821
58.916
57.653
58.838
56.662
56.488
55.473
54.713
56.006

26.346
27.864
28.247
29.761
30.126
23.789
22.334
21.881
20.845
21.654
21.353
20.613
22.610
22.666
22.234
21.921
22.601
23.238
23.412
24.098
23.122
23.425
24.681
22.473
20.801
20.286
19.874
19.316
19.082
19.492
20.066
19.228
20.162
19.636
20.089
19.601
18.114
17.744
20.431
20.013
20.375
20.645
17.283
15.817
15.320
16.014
15.082
15.417
15.357
14.089
13.437
11.920
11.357
13.886
13.392
11.315
9.868
9.703
10.631
9.188

66.450
66.477
67.032
67.208
67.766
66.453
66.328
65.320
64.682
67.677
68.517
67.719
69.206
65.128
64.292
62.842
62.215
64.281
65.667
65.560
65.267
65.014
64.933
64.926
62.390
61.025
60.352
60.990
61.055
61.084
62.091
60.133
61.755
60.540
59.043
58.142
57.838
57.205
56.853
55.830
56.292
54.472
58.386
58.215
57.372
57.220
59.568
60.309
60.450
56.900
56.147
56.155
56.220
54.688
54.085
56.053
55.851
54.713
54.424
57.150

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86

C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9786
9787
9788
9789
9790
9791
9792
9793
9794
9795
9796
9797
9798
9799
9800
9801
9802
9803
9804
9805
9806
9807
9808
9809
9810
9811
9812
9813
9814
9815
9816
9817
9818
9819
9820
9821
9822
9823
9824
9825
9826
9827
9828
9829
9830
9831
9832
9833
9834
9835
9836
9837
9838
9839
9840
9841
9842
9843
9844
9845

CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1

VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

83
83
84
84
84
84
84
84
84
84
84
85
85
85
85
85
85
85
85
86
86
86
86
87
87
87
87
87
87
87
87
87
88
88
88
88
88
88
88
88
89
89
89
89
89
89
89
90
90
90
90
90
90
90
91
91
91
91
91
91

57.029
54.631
55.419
54.335
52.998
52.921
54.566
53.475
53.593
52.460
52.513
51.975
50.624
50.117
49.922
49.640
48.274
48.382
47.269
50.060
49.664
50.673
50.338
51.891
52.966
52.923
52.591
54.332
54.439
54.332
55.529
55.524
53.228
53.352
54.672
55.736
53.237
51.918
53.405
50.624
54.583
55.751
56.609
56.416
55.164
53.790
53.336
57.560
58.463
59.902
60.194
58.360
58.725
56.973
60.799
62.239
62.793
63.223
63.067
64.576

9.350
9.684
8.522
8.221
8.252
7.804
6.839
6.501
5.061
4.732
5.601
8.806
8.831
7.407
6.612
9.575
9.750
10.606
10.357
7.112
5.776
5.187
4.288
5.717
5.309
6.214
7.401
5.483
4.805
3.278
2.624
1.179
5.621
6.371
7.168
6.576
5.442
4.645
6.205
5.476
8.498
9.401
9.155
9.741
10.815
10.650
9.282
8.247
7.874
8.216
8.343
6.377
5.627
5.985
8.219
8.523
7.851
8.521
8.094
8.306

58.277
57.616
54.116
53.162
53.924
55.074
52.552
51.537
51.046
50.071
48.887
53.283
53.866
54.156
53.242
52.956
53.634
54.901
52.655
55.459
55.951
56.945
57.720
56.923
57.843
59.076
58.982
57.166
55.793
55.824
56.510
56.261
60.222
61.486
61.457
61.256
62.712
62.702
64.039
62.755
61.601
61.647
62.898
63.966
61.656
61.014
61.515
62.755
63.864
63.483
62.296
64.179
63.020
64.693
64.467
64.264
62.991
62.060
65.494
65.307

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82

C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9846
9847
9848
9849
9850
9851
9852
9853
9854
9855
9856
9857
9858
9859
9860
9861
9862
9863
9864
9865
9866
9867
9868
9869
9870
9871
9872
9873
9874
9875
9876
9877
9878
9879
9880
9881
9882
9883
9884
9885
9886
9887
9888
9889
9890
9891
9892
9893
9894
9895
9896
9897
9898
9899
9900
9901
9902
9903
9904
9905

CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
SD

VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
MET
MET
MET
MET
MET
MET
MET

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

91
92
92
92
92
92
92
92
92
92
93
93
93
93
93
93
93
93
94
94
94
94
94
94
95
95
95
95
95
95
95
95
96
96
96
96
96
96
96
96
96
96
96
97
97
97
97
97
97
97
97
97
97
98
98
98
98
98
98
98

62.630
62.726
63.251
62.406
62.949
63.363
64.297
64.557
63.746
65.636
61.079
60.160
60.296
60.221
58.701
58.126
56.926
58.984
60.444
60.550
61.856
62.892
60.415
59.117
61.728
62.837
62.929
61.941
62.627
63.738
61.306
65.011
64.062
64.317
64.745
65.751
65.386
64.877
64.646
64.692
64.226
64.277
64.044
63.973
64.192
65.121
65.936
62.870
62.099
62.411
60.923
61.429
60.517
64.946
65.744
65.313
64.211
65.615
64.245
64.119

8.858
6.521
5.714
5.829
5.823
4.244
4.034
2.552
1.698
2.293
5.849
5.969
7.279
7.287
5.802
4.422
4.217
3.440
8.361
9.725
9.983
9.371
10.741
10.596
10.896
11.444
12.954
13.680
11.126
11.680
11.633
10.843
13.375
14.802
15.502
15.133
14.946
14.476
13.126
15.406
12.709
14.988
13.640
16.515
17.227
18.434
18.679
17.670
16.463
15.748
16.053
14.880
15.101
19.207
20.416
21.044
20.774
21.462
22.141
23.375

66.745
62.989
61.873
60.599
59.501
62.271
63.466
63.756
63.340
64.328
60.762
59.612
58.833
57.606
60.042
59.714
59.692
59.511
59.583
59.041
58.285
58.543
60.172
60.759
57.336
56.532
56.800
56.635
55.031
54.137
54.456
54.190
57.331
57.602
56.309
55.703
58.689
60.055
60.303
61.069
61.557
62.328
62.573
55.935
54.659
54.775
53.893
54.032
53.517
52.444
53.978
52.230
53.159
55.845
56.119
57.448
57.947
54.991
54.921
53.582

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.77
0.77
0.77
0.77
0.77
0.77
0.77

C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
S

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9906
9907
9908
9909
9910
9911
9912
9913
9914
9915
9916
9917
9918
9919
9920
9921
9922
9923
9924
9925
9926
9927
9928
9929
9930
9931
9932
9933
9934
9935
9936
9937
9938
9939
9940
9941
9942
9943
9944
9945
9946
9947
9948
9949
9950
9951
9952
9953
9954
9955
9956
9957
9958
9959
9960
9961
9962
9963
9964
9965

CE
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
ND1
CD2

MET
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

98
99
99
99
99
99
100
100
100
100
100
101
101
101
101
101
101
101
101
101
101
101
101
101
101
102
102
102
102
102
102
103
103
103
103
104
104
104
104
104
104
105
105
105
105
105
106
106
106
106
106
106
107
107
107
107
107
107
107
107

63.444
66.190
65.874
64.857
65.018
67.147
63.804
62.712
61.677
61.311
61.977
61.174
60.062
58.796
57.860
60.519
61.376
62.685
60.944
63.099
62.066
59.706
61.959
59.599
60.726
58.742
57.620
57.939
59.091
57.534
56.461
56.924
57.176
55.953
54.813
56.294
55.365
56.080
57.270
55.057
54.208
55.332
55.868
54.816
53.618
56.277
55.300
54.448
55.254
56.423
53.726
54.737
54.561
55.157
54.642
53.438
54.718
55.522
55.266
56.550

22.309
21.883
22.719
23.791
24.438
23.389
23.929
24.890
24.856
23.783
24.563
26.036
26.213
26.792
27.247
27.050
28.258
28.355
29.461
29.566
30.268
29.938
31.555
31.220
32.027
26.621
26.983
26.333
26.387
28.508
28.866
25.737
24.958
24.728
25.036
24.297
23.957
22.922
22.654
25.221
24.923
22.274
21.261
20.897
21.047
19.981
20.505
20.100
19.417
19.735
21.291
22.752
18.531
17.755
18.342
18.480
16.302
15.356
15.075
14.612

52.334
57.981
59.155
58.750
57.713
59.671
59.547
59.290
60.414
60.898
57.984
60.734
61.693
61.036
61.689
62.894
62.505
62.713
61.967
62.343
61.883
61.548
61.371
61.027
60.938
59.717
58.831
57.483
57.044
58.669
57.791
56.849
55.624
54.739
55.086
53.540
52.446
51.572
51.770
51.633
50.522
50.693
49.765
48.723
48.961
50.505
47.556
46.427
45.334
45.110
45.803
45.360
44.642
43.552
42.235
42.019
43.732
42.845
41.573
43.232

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.77
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.88
0.88
0.88
0.88
0.88
0.88
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90

C
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

9966
9967
9968
9969
9970
9971
9972
9973
9974
9975
9976
9977
9978
9979
9980
9981
9982
9983
9984
9985
9986
9987
9988
9989
9990
9991
9992
9993
9994
9995
9996
9997
9998
9999
10000
10001
10002
10003
10004
10005
10006
10007
10008
10009
10010
10011
10012
10013
10014
10015
10016
10017
10018
10019
10020
10021
10022
10023
10024
10025

CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB

HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
TYR
TYR
TYR
TYR
TYR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

107
107
108
108
108
108
108
108
108
108
109
109
109
109
110
110
110
110
110
110
110
110
110
110
110
111
111
111
111
111
111
111
111
111
112
112
112
112
112
112
112
112
112
112
112
112
112
112
113
113
113
113
113
113
113
114
114
114
114
114

56.140
56.933
55.574
55.264
54.961
54.796
56.410
57.766
57.875
58.712
54.992
54.821
56.117
56.074
57.240
58.571
59.311
59.613
59.399
58.649
59.589
58.780
59.102
60.249
58.278
59.599
60.200
59.373
58.382
61.651
62.653
62.202
62.221
61.736
59.830
59.257
60.014
61.233
59.334
58.297
58.509
57.021
57.430
56.501
56.270
55.215
54.980
54.458
59.231
59.735
59.396
58.217
59.061
59.415
59.420
60.443
60.297
60.661
61.586
61.246

14.158
13.877
18.582
19.216
18.233
18.632
20.163
19.472
18.253
20.200
16.942
15.852
15.056
13.886
15.676
15.072
14.812
13.667
15.919
16.005
16.263
16.235
16.827
17.478
16.779
15.883
15.787
16.543
17.210
16.296
15.177
14.276
14.766
13.160
16.456
17.223
18.538
18.626
16.425
15.308
14.015
15.434
13.317
14.151
16.528
13.953
16.330
15.044
19.540
20.856
20.965
20.981
21.998
21.926
23.390
21.024
21.223
22.676
23.240
20.310

41.171
42.194
41.331
40.027
38.879
37.730
39.652
39.461
39.743
39.115
39.218
38.236
38.017
37.656
38.383
38.192
39.509
39.829
37.220
35.891
34.728
33.500
32.353
32.228
31.316
40.242
41.578
42.625
42.294
41.564
41.884
43.044
44.197
42.742
43.867
44.979
45.173
44.996
46.280
46.366
46.133
46.885
46.487
46.947
47.298
47.421
47.763
47.821
45.529
45.954
47.438
47.808
45.172
43.789
45.703
48.237
49.687
49.985
49.384
50.466

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.91

C
N
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10026
10027
10028
10029
10030
10031
10032
10033
10034
10035
10036
10037
10038
10039
10040
10041
10042
10043
10044
10045
10046
10047
10048
10049
10050
10051
10052
10053
10054
10055
10056
10057
10058
10059
10060
10061
10062
10063
10064
10065
10066
10067
10068
10069
10070
10071
10072
10073
10074
10075
10076
10077
10078
10079
10080
10081
10082
10083
10084
10085

CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1

TYR
TYR
TYR
TYR
TYR
TYR
TYR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

114
114
114
114
114
114
114
115
115
115
115
115
115
115
115
116
116
116
116
117
117
117
117
117
117
117
118
118
118
118
118
118
118
118
119
119
119
119
120
120
120
120
120
120
120
121
121
121
121
121
121
121
121
122
122
122
122
122
122
122

61.285
60.360
62.271
60.430
62.344
61.430
61.498
59.847
60.051
60.249
59.574
58.844
58.420
59.094
59.485
61.096
61.416
61.942
62.523
61.554
61.942
62.607
62.124
60.721
61.134
59.925
63.691
64.458
65.424
65.610
65.205
66.407
66.367
67.417
66.046
66.959
66.429
65.466
67.034
66.583
65.196
64.857
67.654
68.173
68.148
64.423
63.084
63.112
62.357
62.360
61.847
61.707
61.679
64.079
64.249
64.798
65.068
65.142
66.619
67.026

18.885
17.943
18.543
16.647
17.245
16.295
15.026
23.281
24.672
24.616
23.854
25.563
25.420
27.037
25.807
25.529
25.626
27.016
27.688
27.485
28.821
28.657
27.920
29.757
31.186
29.807
29.393
29.432
30.618
31.268
28.104
27.875
28.386
27.369
30.821
31.945
32.812
32.417
33.984
34.932
35.477
35.611
36.024
36.033
34.557
35.856
36.445
37.727
37.866
36.767
35.514
34.487
35.623
38.579
39.874
39.732
40.744
40.782
40.380
39.341

49.926
50.349
49.011
49.860
48.536
48.965
48.486
50.830
51.267
52.783
53.479
50.898
49.424
51.264
48.387
53.248
54.677
55.004
54.154
56.174
56.653
58.019
58.882
56.746
57.113
55.438
58.186
59.441
59.409
58.380
59.683
58.760
57.621
59.294
60.566
60.780
61.931
62.603
62.140
63.174
62.810
61.637
63.177
61.740
61.351
63.823
63.595
62.765
61.805
64.902
65.603
64.902
66.836
63.095
62.416
60.986
60.336
63.275
63.220
63.722

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.92
0.92
0.92
0.92
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.73
0.73
0.73
0.73
0.73
0.73
0.73

C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10086
10087
10088
10089
10090
10091
10092
10093
10094
10095
10096
10097
10098
10099
10100
10101
10102
10103
10104
10105
10106
10107
10108
10109
10110
10111
10112
10113
10114
10115
10116
10117
10118
10119
10120
10121
10122
10123
10124
10125
10126
10127
10128
10129
10130
10131
10132
10133
10134
10135
10136
10137
10138
10139
10140
10141
10142
10143
10144
10145

ND2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB

ASN
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TYR
TYR
TYR
TYR
TYR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

122
123
123
123
123
123
123
123
123
124
124
124
124
124
125
125
125
125
125
125
125
125
126
126
126
126
126
126
126
127
127
127
127
127
127
127
127
127
128
128
128
128
128
128
128
128
129
129
129
129
129
129
129
129
129
130
130
130
130
130

67.375
65.120
65.712
65.784
66.859
67.108
67.642
66.807
68.862
64.606
64.475
64.712
64.842
63.095
64.727
65.019
64.164
64.012
66.512
67.009
66.915
68.464
63.653
62.903
63.904
64.441
61.796
61.145
60.680
64.035
64.928
64.102
63.099
65.751
66.563
67.388
66.510
67.335
64.543
63.906
64.886
66.042
63.487
62.505
62.858
62.101
64.324
65.062
64.340
63.135
65.103
65.952
65.941
66.829
66.836
65.105
64.580
65.049
66.182
64.991

41.124
38.498
38.226
36.721
36.141
38.870
39.067
39.119
39.313
36.119
34.698
34.524
35.504
34.190
33.271
32.919
31.740
30.747
32.581
32.294
33.530
31.851
31.883
30.821
30.007
30.504
31.421
30.396
32.023
28.745
27.807
26.847
26.276
27.009
27.921
27.132
26.292
25.609
26.727
25.868
24.746
24.989
26.689
27.796
25.768
28.755
23.548
22.314
21.569
21.301
21.485
20.219
19.467
18.226
17.519
21.204
20.438
18.985
18.643
21.058

62.442
60.575
59.256
58.935
58.801
59.223
57.806
56.873
57.717
58.817
58.440
56.930
56.189
58.866
56.494
55.098
54.624
55.340
55.016
53.598
52.708
53.664
53.407
52.706
51.879
50.890
51.812
50.872
52.664
52.228
51.528
50.674
51.119
52.537
53.464
54.480
55.411
56.411
49.434
48.424
48.066
47.700
47.188
47.608
46.128
46.488
48.047
47.740
46.612
46.706
49.026
48.916
50.244
50.166
51.452
45.593
44.454
44.531
44.174
43.118

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.73
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.82
0.82
0.82
0.82
0.82

N
N
C
C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10146
10147
10148
10149
10150
10151
10152
10153
10154
10155
10156
10157
10158
10159
10160
10161
10162
10163
10164
10165
10166
10167
10168
10169
10170
10171
10172
10173
10174
10175
10176
10177
10178
10179
10180
10181
10182
10183
10184
10185
10186
10187
10188
10189
10190
10191
10192
10193
10194
10195
10196
10197
10198
10199
10200
10201
10202
10203
10204
10205

CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N

TYR
TYR
TYR
TYR
TYR
TYR
TYR
GLY
GLY
GLY
GLY
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ALA
ALA
ALA
ALA
ALA
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
TYR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

130
130
130
130
130
130
130
131
131
131
131
132
132
132
132
132
132
132
132
132
133
133
133
133
133
134
134
134
134
134
134
134
134
134
134
134
134
135
135
135
135
135
135
135
136
136
136
136
136
136
136
136
137
137
137
137
137
137
137
138

64.003
62.644
64.445
61.719
63.518
62.163
61.281
64.169
64.436
65.557
65.370
66.757
67.933
68.780
69.577
68.801
69.793
69.116
68.316
69.595
68.672
69.561
68.877
67.736
70.082
69.648
69.256
69.494
70.612
70.082
69.712
70.306
68.751
69.928
68.373
68.958
68.623
68.405
68.387
68.329
68.895
67.252
66.015
67.575
67.659
67.431
66.854
66.393
66.459
66.664
67.428
65.974
67.024
66.529
65.831
65.890
67.673
68.640
68.298
65.158

20.665
20.859
20.088
20.482
19.708
19.908
19.584
18.179
16.751
16.577
16.869
16.305
16.066
17.329
17.365
14.982
14.351
13.412
12.569
13.387
18.308
19.483
20.756
21.048
19.717
21.537
22.887
23.867
24.023
23.285
22.445
21.204
22.898
20.408
22.108
20.858
20.082
24.472
25.218
26.742
27.419
24.722
24.722
23.331
27.284
28.738
29.161
28.325
29.163
30.606
31.354
30.953
30.440
31.093
32.417
32.903
31.346
32.228
30.035
32.967

42.023
42.247
40.840
41.293
39.881
40.108
39.135
45.130
45.378
46.412
47.585
45.913
46.774
47.026
47.964
46.127
47.113
48.118
47.656
49.272
46.131
46.139
46.640
46.288
44.720
47.384
47.827
46.676
46.187
49.050
50.271
50.459
51.165
51.528
52.240
52.414
53.473
46.239
44.962
45.045
44.187
44.064
44.787
43.518
46.063
46.135
47.487
48.265
45.023
44.545
45.199
43.563
47.774
48.995
48.663
47.531
49.981
49.402
50.458
49.664

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.87
0.87
0.87
0.87
0.87
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.85

C
C
C
C
C
C
O
N
C
C
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10206
10207
10208
10209
10210
10211
10212
10213
10214
10215
10216
10217
10218
10219
10220
10221
10222
10223
10224
10225
10226
10227
10228
10229
10230
10231
10232
10233
10234
10235
10236
10237
10238
10239
10240
10241
10242
10243
10244
10245
10246
10247
10248
10249
10250
10251
10252
10253
10254
10255
10256
10257
10258
10259
10260
10261
10262
10263
10264
10265

CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ALA
ALA
ALA
ALA
ALA
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASN
ASN
ASN
ASN
ASN
ASN

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

138
138
138
138
138
138
138
138
138
138
138
139
139
139
139
139
139
139
139
139
139
140
140
140
140
140
140
141
141
141
141
141
141
141
141
141
141
141
141
142
142
142
142
142
143
143
143
143
143
143
143
143
143
143
144
144
144
144
144
144

64.429
64.433
64.058
62.994
62.258
61.631
62.166
60.902
61.428
60.786
59.842
64.844
65.034
63.787
62.819
66.177
67.511
68.050
68.328
69.197
69.376
63.862
62.851
62.781
63.766
63.264
62.345
61.577
61.313
60.716
60.844
60.419
59.137
57.986
59.112
56.803
57.933
56.779
55.644
60.045
59.434
60.096
59.599
57.929
61.165
62.005
61.279
61.782
63.005
64.084
65.174
64.091
65.854
65.188
60.101
59.371
58.788
57.731
58.275
57.762

34.241
34.925
34.311
33.933
35.192
35.992
35.496
37.089
36.586
37.369
38.247
36.186
36.953
37.684
37.916
37.961
37.259
36.985
36.821
36.376
36.272
38.018
38.809
40.234
40.964
38.835
39.617
40.619
41.960
42.954
44.164
41.846
41.042
41.664
39.698
40.946
38.974
39.601
38.878
42.410
43.215
42.985
43.449
42.929
42.187
41.898
41.522
41.759
43.041
43.013
42.252
43.710
42.470
43.376
40.919
40.406
39.024
38.902
41.378
40.945

49.558
50.929
51.931
49.126
48.681
49.626
47.329
49.210
46.909
47.859
47.482
50.936
52.183
52.680
51.952
52.044
51.837
50.654
52.793
50.884
52.198
53.962
54.677
54.104
54.104
56.149
56.903
53.700
53.136
54.143
53.995
51.898
52.137
52.603
51.793
52.709
51.904
52.358
52.518
55.155
56.230
57.599
58.623
56.285
57.604
58.785
60.088
61.185
58.997
57.918
57.945
56.786
56.827
56.114
59.959
61.125
60.831
60.208
61.576
62.952

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.80
0.80
0.80
0.80
0.80
0.80
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.78
0.78
0.78
0.78
0.78
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.73
0.73
0.73
0.73
0.73
0.73

C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10266
10267
10268
10269
10270
10271
10272
10273
10274
10275
10276
10277
10278
10279
10280
10281
10282
10283
10284
10285
10286
10287
10288
10289
10290
10291
10292
10293
10294
10295
10296
10297
10298
10299
10300
10301
10302
10303
10304
10305
10306
10307
10308
10309
10310
10311
10312
10313
10314
10315
10316
10317
10318
10319
10320
10321
10322
10323
10324
10325

OD1
ND2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG

ASN
ASN
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR
THR
THR
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
SER
SER
SER
SER
SER
SER

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

144
144
145
145
145
145
145
145
145
145
146
146
146
146
146
146
146
146
147
147
147
147
147
147
147
147
147
147
147
148
148
148
148
148
148
148
149
149
149
149
149
149
149
149
149
150
150
150
150
150
150
150
150
150
151
151
151
151
151
151

58.169
56.913
59.551
59.182
58.662
57.473
58.183
58.858
57.646
57.905
59.593
59.234
58.670
59.200
60.493
60.297
59.194
61.625
57.565
56.825
56.007
55.827
55.956
55.010
54.295
53.355
53.642
54.877
52.676
55.635
54.958
53.604
53.135
55.947
55.361
56.446
53.081
51.738
51.422
50.513
51.490
51.369
50.968
51.372
50.152
52.257
52.015
51.060
50.406
51.503
52.301
53.760
54.279
54.371
51.036
50.291
50.865
51.680
48.784
48.486

41.446
39.941
38.015
36.587
36.270
36.227
36.167
36.311
34.733
36.135
36.069
35.527
34.109
33.341
35.537
34.982
35.717
35.103
33.829
32.563
32.216
33.052
32.621
33.823
33.912
35.049
36.354
36.797
37.253
30.949
30.407
29.754
29.774
29.511
29.029
28.319
29.039
28.458
27.516
27.857
27.719
28.707
28.009
28.415
26.981
26.491
25.399
24.335
23.579
25.892
27.083
26.754
25.690
27.607
24.301
23.352
23.426
24.302
23.641
24.957

63.989
62.977
61.229
61.105
59.692
59.416
62.209
63.581
62.015
64.767
58.778
57.459
57.657
58.461
56.593
55.180
54.408
54.435
56.984
57.155
55.908
55.014
58.423
58.462
59.810
59.842
59.830
59.763
59.949
55.821
54.624
54.946
56.086
53.840
52.628
54.653
53.959
53.938
55.090
55.833
52.636
51.477
50.179
49.095
50.288
55.305
56.288
55.720
56.435
57.659
58.204
58.516
58.100
59.180
54.393
53.553
52.137
51.836
53.542
53.062

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.73
0.73
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.89
0.89
0.89
0.89
0.89
0.89

O
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10326
10327
10328
10329
10330
10331
10332
10333
10334
10335
10336
10337
10338
10339
10340
10341
10342
10343
10344
10345
10346
10347
10348
10349
10350
10351
10352
10353
10354
10355
10356
10357
10358
10359
10360
10361
10362
10363
10364
10365
10366
10367
10368
10369
10370
10371
10372
10373
10374
10375
10376
10377
10378
10379
10380
10381
10382
10383
10384
10385

N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
SG
N
CA
C
O
CB

ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
CYS
CYS
CYS
CYS
CYS
CYS
TYR
TYR
TYR
TYR
TYR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

152
152
152
152
152
153
153
153
153
153
153
154
154
154
154
154
154
154
154
155
155
155
155
155
155
156
156
156
156
156
156
156
156
157
157
157
157
158
158
158
158
159
159
159
159
159
159
159
159
160
160
160
160
160
160
161
161
161
161
161

50.484
51.078
50.998
50.028
50.397
52.087
52.139
51.528
51.304
53.574
54.912
51.108
50.422
51.252
51.639
49.045
48.175
48.156
47.444
51.508
52.302
51.399
50.584
53.393
54.458
51.589
50.841
51.792
52.528
49.726
48.893
50.269
47.689
51.903
52.740
54.226
54.902
54.659
56.069
56.363
57.472
55.321
55.438
54.652
53.454
54.872
55.665
56.896
55.021
55.369
54.761
54.613
55.526
55.661
56.053
53.472
53.184
53.152
52.789
51.854

22.456
22.252
23.475
24.235
21.059
23.664
24.604
23.941
22.734
25.107
23.857
24.749
24.207
24.441
25.572
24.862
24.629
25.425
23.534
23.350
23.375
23.070
22.146
22.305
22.357
23.849
23.735
23.840
24.821
24.795
24.572
26.231
25.504
22.726
22.673
22.989
23.529
22.736
22.909
24.178
24.342
24.967
26.199
26.036
25.747
27.397
27.715
27.896
27.735
26.139
26.040
27.450
28.270
25.203
23.539
27.689
28.970
28.737
27.654
29.547

51.317
49.986
49.060
49.065
49.314
48.329
47.195
45.947
45.909
46.988
47.065
44.985
43.798
42.536
42.242
43.671
44.906
45.829
44.922
41.824
40.582
39.381
39.429
40.644
42.129
38.329
37.060
35.861
35.729
36.977
35.703
37.127
35.548
35.135
33.918
34.159
33.290
35.405
35.801
36.610
37.111
36.870
37.667
38.963
38.938
36.900
35.634
35.759
34.563
40.066
41.403
41.978
41.891
42.314
41.657
42.595
43.261
44.768
45.237
42.770

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.92
0.92
0.92
0.92
0.92
0.98
0.98
0.98
0.98
0.98
0.98
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94
0.94
0.94
0.94
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.96
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.96
0.96
0.96
0.96
0.96
0.96
0.98
0.98
0.98
0.98
0.98

N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C
C
O
N
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10386
10387
10388
10389
10390
10391
10392
10393
10394
10395
10396
10397
10398
10399
10400
10401
10402
10403
10404
10405
10406
10407
10408
10409
10410
10411
10412
10413
10414
10415
10416
10417
10418
10419
10420
10421
10422
10423
10424
10425
10426
10427
10428
10429
10430
10431
10432
10433
10434
10435
10436
10437
10438
10439
10440
10441
10442
10443
10444
10445

CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O

TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

161
161
161
161
161
161
161
162
162
162
162
162
162
162
162
163
163
163
163
163
163
163
163
164
164
164
164
164
164
164
164
165
165
165
165
165
165
165
166
166
166
166
166
166
166
166
167
167
167
167
168
168
168
168
168
168
169
169
169
169

51.912
51.710
52.147
51.752
52.178
51.988
52.103
53.612
53.803
53.588
54.279
55.228
55.659
54.818
57.151
52.676
52.478
53.534
53.752
51.075
50.780
50.311
51.821
54.133
55.060
54.542
53.903
56.494
56.567
57.022
57.980
54.751
54.331
55.360
55.988
52.913
52.320
52.853
55.564
56.470
55.757
55.176
57.707
58.916
58.770
60.002
55.859
55.265
54.824
54.958
54.396
53.926
52.680
51.732
53.595
53.122
52.643
51.469
50.245
49.110

29.910
28.928
31.224
29.260
31.559
30.574
30.868
29.749
29.681
31.055
32.010
29.176
29.320
28.438
29.028
31.097
32.305
32.336
31.351
32.307
33.627
33.435
32.987
33.501
33.852
35.154
35.954
34.029
35.157
32.684
35.550
35.325
36.565
36.981
36.141
36.405
37.690
35.604
38.280
38.862
40.036
40.882
39.324
39.507
39.765
39.584
40.062
41.149
40.676
39.508
41.655
41.434
40.539
40.789
42.783
42.603
39.633
38.761
39.588
39.307

41.284
40.320
40.897
38.975
39.550
38.590
37.272
45.484
46.938
47.571
47.224
47.218
48.682
49.605
48.816
48.529
49.344
50.455
51.167
49.954
50.675
52.436
53.257
50.591
51.684
52.305
51.614
51.153
50.106
50.624
49.679
53.597
54.269
55.315
55.970
54.846
55.026
56.150
55.388
56.374
57.040
56.353
55.618
56.519
57.730
55.914
58.364
59.156
60.537
60.899
61.320
62.701
62.706
61.964
63.348
64.687
63.681
63.905
64.340
63.967

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.98
0.98
0.98
0.98
0.98
0.98
0.98
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.84
0.84
0.84
0.84

C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10446
10447
10448
10449
10450
10451
10452
10453
10454
10455
10456
10457
10458
10459
10460
10461
10462
10463
10464
10465
10466
10467
10468
10469
10470
10471
10472
10473
10474
10475
10476
10477
10478
10479
10480
10481
10482
10483
10484
10485
10486
10487
10488
10489
10490
10491
10492
10493
10494
10495
10496
10497
10498
10499
10500
10501
10502
10503
10504
10505

CB
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
CE1

ALA
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

169
170
170
170
170
170
170
171
171
171
171
172
172
172
172
172
172
172
172
173
173
173
173
173
173
174
174
174
174
174
174
174
174
174
175
175
175
175
175
175
176
176
176
176
176
176
176
176
176
176
176
177
177
177
177
177
177
177
177
177

51.799
50.535
49.521
49.632
49.768
49.712
49.689
49.690
49.830
49.772
49.001
50.597
50.682
51.568
52.714
51.162
50.158
51.501
48.759
51.015
51.715
51.259
50.288
51.429
51.807
51.868
51.569
52.257
53.479
52.044
51.450
51.929
51.685
52.440
51.430
51.923
52.318
51.811
50.856
49.463
53.209
53.579
53.476
53.525
55.019
55.272
56.737
57.168
58.443
59.419
58.774
53.346
53.410
54.686
55.195
52.176
50.975
50.222
50.624
49.121

37.717
40.705
41.631
43.008
44.044
41.761
40.475
42.974
44.204
43.911
43.074
44.640
44.494
43.301
43.185
45.818
46.962
45.672
46.748
42.499
41.347
41.159
40.446
40.054
40.188
41.931
41.822
40.579
40.427
43.045
44.338
45.541
46.841
46.816
39.661
38.428
38.696
39.619
37.330
37.588
37.854
37.771
36.311
35.390
38.229
39.681
39.956
41.280
41.628
40.767
42.852
36.127
34.790
34.653
35.625
34.545
34.136
35.091
32.794
34.697

64.975
65.002
65.538
64.860
65.512
67.054
67.676
63.524
62.723
61.226
60.761
60.491
59.027
58.639
59.079
58.404
58.633
56.918
58.035
57.739
57.132
55.682
55.404
57.904
59.271
54.788
53.346
52.780
52.890
52.558
53.107
52.295
53.061
54.321
52.303
51.669
50.214
49.571
51.714
50.555
49.733
48.312
47.871
48.689
48.089
48.487
48.182
48.663
48.829
48.598
49.220
46.570
45.964
45.140
44.577
45.097
45.951
46.626
46.018
47.376

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.83
0.83
0.83
0.83
0.83
0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92

C
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10506
10507
10508
10509
10510
10511
10512
10513
10514
10515
10516
10517
10518
10519
10520
10521
10522
10523
10524
10525
10526
10527
10528
10529
10530
10531
10532
10533
10534
10535
10536
10537
10538
10539
10540
10541
10542
10543
10544
10545
10546
10547
10548
10549
10550
10551
10552
10553
10554
10555
10556
10557
10558
10559
10560
10561
10562
10563
10564
10565

CE2
CZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ

PHE
PHE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

177
177
178
178
178
178
178
178
178
178
179
179
179
179
179
179
179
179
179
180
180
180
180
180
180
180
180
181
181
181
181
181
181
181
181
181
181
181
182
182
182
182
182
182
182
182
182
183
183
183
183
184
184
184
184
184
184
184
184
184

49.516
48.767
55.236
56.433
56.068
55.336
57.502
58.089
59.171
58.672
56.585
56.439
57.783
58.754
56.026
55.482
55.897
55.398
55.630
57.880
59.061
58.970
57.877
59.099
58.457
60.544
59.110
60.126
60.202
61.505
62.600
60.082
60.012
59.781
59.561
58.385
57.266
58.302
61.329
62.426
63.484
64.690
62.987
63.673
63.392
64.089
62.437
62.969
63.793
64.125
64.278
64.135
64.549
63.359
62.441
65.597
66.796
67.657
68.301
69.405

32.402
33.355
33.457
33.116
32.098
31.143
32.526
33.491
32.771
34.740
32.342
31.378
30.668
31.224
32.040
30.940
31.066
32.341
32.247
29.579
28.697
27.833
27.507
27.768
28.353
27.315
29.637
27.394
26.452
25.669
26.221
27.154
26.098
26.697
25.576
25.196
25.819
24.164
24.387
23.398
23.748
23.636
23.351
22.045
21.774
22.374
21.014
24.283
24.660
26.160
26.718
26.838
28.253
29.183
28.887
28.452
27.555
27.324
26.019
25.765

46.759
47.440
45.172
44.398
43.327
43.598
45.320
46.353
47.162
45.687
42.134
41.037
40.868
40.342
39.725
38.808
37.343
36.667
35.222
41.602
41.596
40.332
39.856
42.828
44.103
43.096
44.626
39.866
38.741
38.816
38.715
37.384
36.280
34.900
33.968
33.467
33.791
32.640
39.135
39.158
40.228
40.020
37.728
37.361
35.885
35.039
35.632
41.347
42.509
42.596
43.680
41.457
41.426
41.210
40.441
40.332
40.630
39.393
39.579
40.285

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.92
0.92
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.91
0.91
0.91
0.91
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80

C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
O
O
N
C
C
O
N
C
C
O
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10566
10567
10568
10569
10570
10571
10572
10573
10574
10575
10576
10577
10578
10579
10580
10581
10582
10583
10584
10585
10586
10587
10588
10589
10590
10591
10592
10593
10594
10595
10596
10597
10598
10599
10600
10601
10602
10603
10604
10605
10606
10607
10608
10609
10610
10611
10612
10613
10614
10615
10616
10617
10618
10619
10620
10621
10622
10623
10624
10625

NH1
NH2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD
N

ARG
ARG
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
THR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

184
184
185
185
185
185
185
185
185
185
186
186
186
186
186
186
186
186
187
187
187
187
187
187
187
187
187
188
188
188
188
188
188
188
188
188
189
189
189
189
189
189
189
189
190
190
190
190
190
190
190
190
191
191
191
191
191
191
191
192

70.118
69.725
63.341
62.335
62.566
63.701
62.511
62.565
61.369
63.009
61.477
61.574
60.698
60.646
61.315
59.871
62.369
59.480
59.972
59.048
58.414
57.972
57.919
57.035
55.968
56.522
57.385
58.346
57.603
56.264
56.176
58.375
59.741
60.517
60.141
61.452
55.246
53.878
53.359
53.054
52.955
53.462
51.490
52.781
53.366
52.862
51.342
50.886
53.581
55.026
55.972
55.591
50.581
49.111
48.588
49.125
48.687
49.829
51.044
47.499

26.722
24.526
30.223
31.303
32.042
32.389
32.296
31.548
33.327
32.391
32.314
33.005
34.262
34.902
32.037
31.507
30.914
30.709
34.562
35.707
35.835
34.854
35.513
36.751
36.549
36.585
35.434
37.090
37.521
38.109
38.734
38.629
38.179
39.402
39.906
39.811
37.921
38.380
39.186
38.600
37.193
36.489
37.645
35.149
40.494
41.482
41.633
42.154
42.825
42.854
41.852
44.257
40.995
41.030
42.466
43.298
40.203
39.205
40.080
42.683

40.864
40.552
42.030
41.960
40.635
40.307
43.122
44.460
43.120
45.656
39.935
38.631
38.536
37.487
37.458
37.465
37.452
36.217
39.619
39.689
41.077
41.681
38.674
38.500
37.421
35.990
35.680
41.496
42.693
42.236
41.178
43.404
43.917
44.402
45.477
43.687
43.060
42.758
43.948
44.991
42.413
41.143
42.252
40.843
43.758
44.731
44.571
43.548
44.557
45.087
44.413
44.880
45.469
45.448
45.561
46.293
46.663
46.823
46.531
44.844

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84

N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10626
10627
10628
10629
10630
10631
10632
10633
10634
10635
10636
10637
10638
10639
10640
10641
10642
10643
10644
10645
10646
10647
10648
10649
10650
10651
10652
10653
10654
10655
10656
10657
10658
10659
10660
10661
10662
10663
10664
10665
10666
10667
10668
10669
10670
10671
10672
10673
10674
10675
10676
10677
10678
10679
10680
10681
10682
10683
10684
10685

CA
C
O
CB
OG1
CG2
N
CA
C
O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG

THR
THR
THR
THR
THR
THR
GLY
GLY
GLY
GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
THR
THR
THR
THR
THR
THR
THR
GLU
GLU
GLU
GLU
GLU
GLU

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

192
192
192
192
192
192
193
193
193
193
194
194
194
194
194
194
194
194
194
194
194
195
195
195
195
195
195
195
196
196
196
196
196
196
196
196
196
197
197
197
197
197
197
197
197
197
197
198
198
198
198
198
198
198
199
199
199
199
199
199

46.672
45.471
45.103
46.268
47.105
44.805
44.839
43.568
43.776
44.578
43.073
43.116
44.268
44.091
41.772
41.609
41.119
42.245
42.461
41.639
43.548
45.432
46.685
47.251
48.422
47.748
47.280
48.188
46.411
46.876
47.348
48.187
45.883
44.443
43.528
43.688
42.758
46.822
47.235
46.689
45.483
46.747
47.508
48.198
47.620
48.745
48.363
47.625
47.298
48.415
49.559
47.196
46.515
46.443
48.118
49.076
48.461
47.251
49.682
48.677

43.906
43.650
42.512
44.226
45.277
44.587
44.746
44.654
44.954
45.816
44.192
44.353
43.516
42.385
43.925
44.499
43.434
42.634
42.356
42.787
41.698
44.144
43.429
43.741
43.479
43.698
43.239
45.170
44.240
44.633
43.474
43.675
45.551
45.040
46.102
46.347
46.698
42.274
41.071
39.798
39.557
41.160
40.201
40.546
38.883
39.451
38.416
38.966
37.711
36.697
36.904
37.964
39.193
36.829
35.714
34.639
33.245
33.115
34.839
34.787

44.849
45.777
46.035
43.389
42.910
43.086
46.213
46.957
48.440
48.806
49.266
50.730
51.311
51.773
51.319
52.725
53.698
54.209
55.495
56.445
55.844
51.375
51.709
53.107
53.378
50.623
49.237
50.579
54.007
55.356
56.247
57.127
56.078
56.067
55.461
54.242
56.240
56.002
56.745
56.084
56.081
58.198
59.110
60.190
58.961
60.701
59.950
55.648
54.939
55.200
54.779
53.426
53.152
52.733
56.031
56.351
56.240
56.098
57.741
58.898

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.74
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83
0.83
0.83
0.83
0.83

C
C
O
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10686
10687
10688
10689
10690
10691
10692
10693
10694
10695
10696
10697
10698
10699
10700
10701
10702
10703
10704
10705
10706
10707
10708
10709
10710
10711
10712
10713
10714
10715
10716
10717
10718
10719
10720
10721
10722
10723
10724
10725
10726
10727
10728
10729
10730
10731
10732
10733
10734
10735
10736
10737
10738
10739
10740
10741
10742
10743
10744
10745

CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
SG
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C

GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
CYS
CYS
CYS
CYS
CYS
CYS
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

199
199
199
200
200
200
200
200
200
200
200
200
201
201
201
201
201
201
202
202
202
202
202
202
202
203
203
203
203
203
203
204
204
204
204
205
205
205
205
205
205
205
205
205
205
205
206
206
206
206
206
207
207
207
207
207
207
208
208
208

49.380
50.551
48.795
49.329
48.939
47.838
46.781
48.498
49.575
49.113
47.883
50.012
48.046
47.094
47.007
48.018
47.479
47.241
45.775
45.442
44.938
43.822
44.352
44.801
43.998
45.836
45.605
45.359
45.789
46.821
47.251
44.654
44.303
43.859
43.631
43.836
43.412
41.893
41.314
44.080
45.564
45.942
46.529
47.287
47.873
48.254
41.268
39.847
39.678
38.611
39.330
40.764
40.877
42.357
43.201
40.040
40.592
42.614
43.954
44.389

34.738
35.163
34.152
32.235
30.807
30.453
29.917
30.402
30.608
30.106
30.036
29.712
30.913
30.640
29.140
28.435
31.405
33.216
28.721
27.346
27.467
27.931
26.742
26.736
25.304
27.172
27.423
26.134
25.042
28.158
29.714
26.324
25.247
25.829
27.037
24.959
25.326
25.233
24.158
24.430
24.747
25.787
23.950
26.042
24.200
25.250
26.391
26.456
25.982
25.532
27.888
26.131
25.773
25.865
26.273
26.757
28.079
25.654
25.862
27.334

60.258
60.336
61.180
56.242
56.268
55.250
55.583
57.678
58.745
60.115
60.335
60.892
54.019
52.931
52.626
52.566
51.666
51.775
52.385
51.963
50.523
50.289
52.865
54.219
52.468
49.594
48.161
47.364
47.744
47.594
48.459
46.249
45.306
43.961
43.830
42.962
41.601
41.446
41.557
40.555
40.381
39.542
40.984
39.315
40.746
39.924
41.264
40.857
39.401
38.988
41.009
38.644
37.219
36.813
37.612
36.384
36.444
35.524
34.936
34.907

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.91
0.89
0.89
0.89
0.89
0.89
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85

C
O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
S
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10746
10747
10748
10749
10750
10751
10752
10753
10754
10755
10756
10757
10758
10759
10760
10761
10762
10763
10764
10765
10766
10767
10768
10769
10770
10771
10772
10773
10774
10775
10776
10777
10778
10779
10780
10781
10782
10783
10784
10785
10786
10787
10788
10789
10790
10791
10792
10793
10794
10795
10796
10797
10798
10799
10800
10801
10802
10803
10804
10805

O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
SG
N
CA
C
O
CB
N
CA
C
O
CB
SG
N
CA
C
O
CB

ASN
ASN
ASN
ASN
ASN
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
CYS
CYS
CYS
CYS
CYS
CYS
ALA
ALA
ALA
ALA
ALA
CYS
CYS
CYS
CYS
CYS
CYS
ARG
ARG
ARG
ARG
ARG

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

208
208
208
208
208
209
209
209
209
209
209
209
209
209
210
210
210
210
210
210
210
211
211
211
211
211
211
211
211
212
212
212
212
212
212
212
212
212
213
213
213
213
213
213
214
214
214
214
214
215
215
215
215
215
215
216
216
216
216
216

45.568
44.025
44.231
44.855
43.765
43.403
43.626
43.815
44.506
42.430
42.803
42.048
42.383
41.541
43.277
43.275
43.589
42.944
41.917
41.640
41.867
44.420
44.621
43.801
43.701
46.108
46.918
46.300
48.425
43.247
42.521
42.971
43.357
41.016
40.495
38.970
38.343
38.456
42.923
43.354
42.339
41.709
44.709
45.981
42.239
41.558
42.641
43.345
40.460
42.939
44.111
43.674
42.481
44.948
45.233
44.652
44.427
44.765
45.707
45.323

27.655
25.292
23.776
23.192
23.117
28.219
29.661
30.384
31.402
30.194
31.424
32.702
33.162
34.270
29.814
30.493
29.543
28.502
31.189
32.052
32.043
30.069
29.543
30.439
31.650
29.558
28.603
29.225
28.552
29.823
30.556
30.089
28.930
30.352
30.795
30.761
30.018
31.441
31.013
30.743
31.301
32.333
31.408
31.127
30.599
31.081
31.167
30.183
30.102
32.393
32.653
33.070
33.143
33.751
33.499
33.427
33.932
35.427
35.894
33.187

34.808
33.518
33.524
34.384
32.489
35.009
34.856
36.205
36.262
34.064
33.237
33.608
35.022
35.475
37.284
38.597
39.760
39.927
38.831
37.731
40.103
40.652
42.018
42.960
42.768
42.439
41.549
43.934
41.838
43.991
45.041
46.422
46.590
44.903
43.533
43.440
44.233
42.530
47.367
48.748
49.749
49.505
49.004
47.717
50.867
52.082
53.161
53.410
52.501
53.563
54.417
55.826
56.133
53.752
51.962
56.640
57.997
58.024
57.378
58.993

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.90
0.90
0.90
0.90
0.90
0.88
0.88
0.88
0.88
0.88
0.88
0.80
0.80
0.80
0.80
0.80

O
C
C
O
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
S
N
C
C
O
C
N
C
C
O
C
S
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10806
10807
10808
10809
10810
10811
10812
10813
10814
10815
10816
10817
10818
10819
10820
10821
10822
10823
10824
10825
10826
10827
10828
10829
10830
10831
10832
10833
10834
10835
10836
10837
10838
10839
10840
10841
10842
10843
10844
10845
10846
10847
10848
10849
10850
10851
10852
10853
10854
10855
10856
10857
10858
10859
10860
10861
10862
10863
10864
10865

CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
CE

ARG
ARG
ARG
ARG
ARG
ARG
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
SER
SER
SER
SER
SER
SER
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

216
216
216
216
216
216
217
217
217
217
217
217
217
217
218
218
218
218
218
218
218
218
219
219
219
219
219
219
220
220
220
220
220
220
220
220
220
220
220
220
221
221
221
221
221
221
221
222
222
222
222
222
223
223
223
223
223
223
223
223

44.864
45.984
46.466
46.999
47.132
47.426
43.931
44.214
44.284
43.259
43.105
43.350
43.948
42.986
45.499
45.752
45.370
45.231
47.210
47.397
46.869
48.054
45.283
45.038
43.721
43.019
46.229
46.548
43.312
42.188
40.770
39.823
42.462
43.786
43.999
44.802
45.228
46.031
46.240
47.432
40.618
39.266
39.128
40.058
38.778
37.422
39.639
37.881
37.410
37.123
36.971
36.145
36.843
36.708
38.058
39.118
36.256
34.884
34.439
33.083

33.506
33.463
32.105
31.736
32.577
30.507
36.151
37.536
37.502
37.454
38.481
39.930
40.167
40.832
37.673
37.453
38.619
38.445
37.028
36.312
35.246
36.952
39.826
41.026
41.782
42.043
41.985
42.231
41.991
42.907
42.316
43.042
43.702
44.469
45.450
44.134
46.092
44.775
45.756
46.403
41.064
40.507
39.005
38.236
40.848
40.421
40.239
38.641
37.245
36.637
35.428
37.202
37.498
37.075
36.555
36.853
38.238
38.792
39.814
40.414

60.418
61.451
61.758
62.926
63.933
63.123
58.752
59.143
60.670
61.336
58.672
59.111
60.189
58.346
61.171
62.603
63.531
64.737
62.771
64.104
64.338
65.039
62.979
63.802
63.584
64.548
63.718
62.346
62.336
62.055
62.018
62.313
60.775
60.852
61.816
59.967
61.893
60.040
61.003
61.059
61.588
61.357
61.637
61.400
59.932
59.771
58.819
61.927
62.017
60.629
60.473
62.875
59.650
58.243
57.723
58.275
57.353
57.737
56.695
57.062

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.84
0.84
0.84
0.84
0.84
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79

C
C
N
C
N
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
O
N
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10866
10867
10868
10869
10870
10871
10872
10873
10874
10875
10876
10877
10878
10879
10880
10881
10882
10883
10884
10885
10886
10887
10888
10889
10890
10891
10892
10893
10894
10895
10896
10897
10898
10899
10900
10901
10902
10903
10904
10905
10906
10907
10908
10909
10910
10911
10912
10913
10914
10915
10916
10917
10918
10919
10920
10921
10922
10923
10924
10925

NZ
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG

LYS
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASN
ASN
ASN
ASN
ASN
ASN

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

223
224
224
224
224
224
224
224
224
224
224
224
225
225
225
225
225
225
225
226
226
226
226
226
226
226
226
226
226
226
227
227
227
227
227
227
227
228
228
228
228
228
228
228
228
228
229
229
229
229
229
229
229
229
230
230
230
230
230
230

32.636
37.999
39.220
39.510
38.608
39.140
39.146
39.316
39.318
40.215
41.250
40.107
40.759
41.274
41.214
41.642
42.728
42.711
41.728
40.627
40.449
41.236
40.885
38.958
38.713
38.745
38.467
38.517
38.245
38.268
42.362
43.240
42.683
42.223
44.684
45.645
45.242
42.819
42.582
43.817
44.140
41.374
40.033
38.914
37.527
36.495
44.541
45.759
45.542
45.309
46.949
48.255
49.427
48.520
45.634
45.563
46.930
47.878
45.123
44.889

41.317
35.816
35.329
36.122
36.317
33.854
32.915
31.489
30.501
30.390
31.212
29.407
36.581
37.126
36.008
34.878
37.488
37.815
36.795
36.332
35.365
35.804
36.778
35.221
34.133
34.444
32.829
33.459
31.840
32.161
35.143
35.410
34.719
33.578
34.949
35.261
35.587
35.435
34.917
35.229
36.404
35.583
35.256
35.844
35.557
36.086
34.190
34.340
33.816
32.626
33.667
33.822
33.996
32.586
34.753
34.464
33.960
34.731
35.736
35.455

55.995
56.622
55.960
54.683
53.858
55.573
56.773
56.245
57.338
58.320
58.426
59.199
54.541
53.273
52.227
52.485
53.576
55.065
55.635
51.084
49.988
48.749
48.080
49.668
48.621
47.266
49.029
46.322
48.082
46.733
48.542
47.382
46.122
46.169
47.672
46.518
48.948
45.011
43.650
42.799
42.581
42.984
43.634
42.776
43.346
42.446
42.419
41.609
40.187
39.962
42.307
41.517
42.478
40.653
39.258
37.820
37.331
37.202
37.090
35.607

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.79
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95

N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10926
10927
10928
10929
10930
10931
10932
10933
10934
10935
10936
10937
10938
10939
10940
10941
10942
10943
10944
10945
10946
10947
10948
10949
10950
10951
10952
10953
10954
10955
10956
10957
10958
10959
10960
10961
10962
10963
10964
10965
10966
10967
10968
10969
10970
10971
10972
10973
10974
10975
10976
10977
10978
10979
10980
10981
10982
10983
10984
10985

OD1
ND2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1

ASN
ASN
VAL
VAL
VAL
VAL
VAL
VAL
VAL
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
THR
THR
THR
THR
THR
THR
THR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

230
230
231
231
231
231
231
231
231
232
232
232
232
232
232
232
232
232
233
233
233
233
233
233
233
234
234
234
234
234
234
234
234
235
235
235
235
235
235
235
236
236
236
236
236
237
237
237
237
237
237
237
237
237
238
238
238
238
238
238

45.662
43.796
46.986
48.202
48.610
49.786
47.989
49.207
47.669
47.636
47.872
48.782
49.699
46.578
45.576
45.697
45.456
45.917
48.505
49.160
49.965
50.428
48.103
47.194
47.325
50.101
50.839
50.474
51.333
52.338
52.707
52.217
53.441
49.179
48.640
47.693
46.970
47.870
46.747
48.760
47.742
46.903
46.231
46.836
47.753
44.966
44.179
43.549
43.244
43.104
42.269
41.130
41.410
40.006
43.363
42.780
41.596
41.654
43.830
45.094

34.799
35.943
32.667
31.975
32.454
32.426
30.448
29.662
29.969
32.929
33.466
34.696
34.826
33.935
32.804
32.086
32.771
30.858
35.565
36.884
37.067
38.169
37.991
37.858
37.945
35.994
35.991
37.197
37.906
35.941
34.709
33.611
34.900
37.493
38.638
38.102
37.124
39.615
38.951
40.281
38.728
38.307
39.502
40.563
37.541
39.314
40.298
39.622
38.427
40.916
41.976
42.505
42.855
42.581
40.415
39.954
40.849
42.072
39.978
39.210

34.944
35.074
37.041
36.542
35.132
34.772
36.582
36.084
38.001
34.363
33.003
33.045
32.241
32.342
32.204
30.867
29.849
30.901
34.009
34.085
35.373
35.657
33.986
35.079
32.667
36.157
37.436
38.330
38.852
37.115
36.285
36.645
35.293
38.365
39.123
40.197
39.981
38.220
37.632
37.164
41.362
42.498
43.171
43.315
43.516
43.514
44.277
45.502
45.469
43.378
44.108
43.242
42.076
43.775
46.550
47.822
48.197
48.068
48.950
48.528

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.94
0.94
0.94
0.94
0.94
0.94
0.94
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.95
0.92
0.92
0.92
0.92
0.92
0.92
0.92
0.95
0.95
0.95
0.95
0.95
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.82
0.82
0.82
0.82
0.82
0.82

O
N
N
C
C
O
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

10986
10987
10988
10989
10990
10991
10992
10993
10994
10995
10996
10997
10998
10999
11000
11001
11002
11003
11004
11005
11006
11007
11008
11009
11010
11011
11012
11013
11014
11015
11016
11017
11018
11019
11020
11021
11022
11023
11024
11025
11026
11027
11028
11029
11030
11031
11032
11033
11034
11035
11036
11037
11038
11039
11040
11041
11042
11043
11044
11045

CG2
CD1
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
SG
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA

ILE
ILE
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
CYS
CYS
CYS
CYS
CYS
CYS
THR
THR
THR
THR
THR
THR
THR
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
TYR
TYR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

238
238
239
239
239
239
239
239
239
239
239
239
239
240
240
240
240
240
240
240
240
241
241
241
241
241
241
241
241
242
242
242
242
242
242
243
243
243
243
243
243
243
244
244
244
244
244
244
244
244
244
245
245
245
245
245
245
245
246
246

43.242
46.265
40.583
39.375
38.831
39.142
38.287
38.800
38.189
38.712
39.591
40.108
39.974
38.152
37.558
36.378
35.676
37.109
38.258
37.726
39.461
36.232
35.049
33.822
33.884
35.142
36.376
36.407
35.135
32.743
31.535
30.576
29.764
30.791
29.592
30.665
29.761
29.644
30.616
30.218
29.249
31.608
28.433
28.143
28.752
28.970
26.642
25.814
24.407
23.649
22.424
28.880
29.518
31.033
31.786
29.265
27.924
29.503
31.432
32.839

39.389
39.316
40.187
40.817
39.841
38.644
41.025
41.486
42.795
43.922
44.833
44.789
45.815
40.374
39.529
38.722
39.166
40.380
41.186
41.924
40.313
37.512
36.689
37.433
38.031
35.312
34.534
32.800
32.133
37.402
38.167
37.378
37.969
38.633
39.950
36.052
35.131
35.506
35.868
33.667
32.821
33.404
35.349
35.529
34.430
34.639
35.630
34.525
34.466
35.783
35.730
33.235
32.085
32.331
31.930
30.779
30.742
29.541
33.082
33.460

50.245
49.512
48.738
49.303
50.354
50.314
48.237
46.865
46.379
47.173
46.754
45.536
47.560
51.359
52.411
51.876
50.964
53.600
54.217
55.439
54.598
52.401
52.093
52.634
53.710
52.753
52.289
52.866
51.814
51.869
52.232
53.126
53.837
50.986
51.398
53.033
53.742
55.221
55.888
53.617
54.245
54.220
55.705
57.134
58.016
59.208
57.346
56.693
57.282
57.122
57.919
57.440
58.117
58.170
57.280
57.358
56.894
58.219
59.184
59.410

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.89
0.89
0.89
0.89
0.89
0.89
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.81
0.81

C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
S
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11046
11047
11048
11049
11050
11051
11052
11053
11054
11055
11056
11057
11058
11059
11060
11061
11062
11063
11064
11065
11066
11067
11068
11069
11070
11071
11072
11073
11074
11075
11076
11077
11078
11079
11080
11081
11082
11083
11084
11085
11086
11087
11088
11089
11090
11091
11092
11093
11094
11095
11096
11097
11098
11099
11100
11101
11102
11103
11104
11105

C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD
N
CA

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
PRO
PRO
PRO
PRO
PRO
PRO
PRO
ASP
ASP

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

246
246
246
246
246
246
246
246
246
246
247
247
247
247
247
247
247
247
248
248
248
248
248
248
248
248
249
249
249
249
249
249
249
250
250
250
250
250
250
250
251
251
251
251
251
251
251
251
251
251
251
252
252
252
252
252
252
252
253
253

33.664
33.332
32.904
31.927
31.757
31.106
30.785
30.142
29.988
29.122
34.786
35.547
36.777
37.431
35.965
34.790
35.340
34.011
36.995
38.190
37.852
36.717
38.828
40.323
40.983
40.778
38.898
38.771
39.842
40.985
39.011
38.221
38.672
39.481
38.110
37.255
37.761
38.286
39.525
40.423
35.957
34.964
33.675
33.438
34.690
33.659
33.349
34.089
33.646
32.438
34.424
32.842
31.514
30.455
30.742
31.310
31.930
33.168
29.206
28.027

32.194
31.380
34.411
35.586
36.243
35.905
37.216
36.891
37.549
38.585
32.070
30.807
30.800
29.769
30.416
30.103
29.895
28.864
31.891
32.016
31.836
31.536
33.379
33.430
32.378
34.504
31.730
31.559
32.433
32.365
30.092
29.245
29.812
33.195
33.359
34.164
34.754
34.081
34.942
34.038
34.147
34.809
35.045
34.343
33.956
32.851
32.066
30.803
29.685
29.621
28.623
35.983
36.205
35.361
34.579
37.707
37.950
37.056
35.667
35.012

59.666
60.513
60.610
60.479
59.260
61.552
59.111
61.406
60.193
60.085
58.977
59.014
59.924
60.040
57.596
56.670
55.262
57.130
60.655
61.505
62.992
63.344
61.241
61.547
61.387
61.978
63.800
65.263
65.937
65.493
65.651
64.816
67.120
66.977
67.494
66.510
65.554
68.829
68.587
67.739
66.762
65.907
66.717
67.711
64.652
64.893
63.630
63.726
64.293
64.838
64.332
66.268
66.860
66.130
65.224
66.651
65.275
65.302
66.448
65.847

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.83
0.83

C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11106
11107
11108
11109
11110
11111
11112
11113
11114
11115
11116
11117
11118
11119
11120
11121
11122
11123
11124
11125
11126
11127
11128
11129
11130
11131
11132
11133
11134
11135
11136
11137
11138
11139
11140
11141
11142
11143
11144
11145
11146
11147
11148
11149
11150
11151
11152
11153
11154
11155
11156
11157
11158
11159
11160
11161
11162
11163
11164
11165

C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
N
CA
C
O
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG

ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ALA
ALA
ALA
ALA
ALA
GLY
GLY
GLY
GLY
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
GLU
GLU
GLU
GLU
GLU
GLU

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

253
253
253
253
253
253
254
254
254
254
254
254
254
254
255
255
255
255
256
256
256
256
256
256
257
257
257
257
257
257
257
257
258
258
258
258
258
259
259
259
259
260
260
260
260
260
260
260
261
261
261
261
261
261
262
262
262
262
262
262

27.989
28.301
26.756
26.717
27.709
25.730
27.580
27.509
26.604
25.571
27.014
28.072
29.259
27.662
27.067
26.321
26.093
25.133
26.981
26.869
27.930
27.967
26.877
28.184
28.741
29.644
28.848
28.744
30.938
31.701
31.821
32.908
28.228
27.417
28.282
29.368
26.606
27.716
28.327
28.571
28.088
29.253
29.609
30.545
31.145
30.269
30.877
29.803
30.756
31.663
33.073
33.769
31.829
30.285
33.488
34.817
34.984
36.069
35.217
34.271

35.313
36.418
35.536
35.303
34.786
35.765
34.329
34.489
35.644
35.888
33.202
32.111
32.497
30.936
36.351
37.499
38.648
39.397
38.803
39.914
41.011
41.986
39.394
38.946
40.883
41.958
42.801
42.455
41.407
40.496
42.571
39.771
43.854
44.771
45.589
46.065
45.704
45.763
46.575
45.774
44.645
46.388
45.722
44.535
44.422
46.824
47.756
47.763
43.731
42.561
42.934
42.168
41.994
41.496
44.154
44.678
45.082
45.509
45.832
47.037

64.346
63.929
66.526
68.046
68.607
68.650
63.558
62.092
61.670
62.291
61.434
61.544
61.539
61.653
60.640
60.086
61.073
60.905
62.053
63.020
62.831
63.586
64.460
64.820
61.781
61.325
60.315
59.137
60.688
61.667
60.200
61.054
60.831
60.009
59.043
59.379
60.909
57.846
56.787
55.496
55.374
54.520
53.253
53.511
54.578
52.421
53.467
54.550
52.474
52.525
53.024
53.672
51.116
50.269
52.687
53.053
54.531
54.932
52.124
52.189

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.83
0.83
0.83
0.83
0.83
0.83
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.83
0.83
0.83
0.83
0.81
0.81
0.81
0.81
0.81
0.81
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.86
0.86
0.86
0.86
0.86
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.91
0.91
0.91
0.91
0.91
0.91
0.77
0.77
0.77
0.77
0.77
0.77

C
O
C
C
O
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
N
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11166
11167
11168
11169
11170
11171
11172
11173
11174
11175
11176
11177
11178
11179
11180
11181
11182
11183
11184
11185
11186
11187
11188
11189
11190
11191
11192
11193
11194
11195
11196
11197
11198
11199
11200
11201
11202
11203
11204
11205
11206
11207
11208
11209
11210
11211
11212
11213
11214
11215
11216
11217
11218
11219
11220
11221
11222
11223
11224
11225

CD
OE1
OE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2

GLU
GLU
GLU
SER
SER
SER
SER
SER
SER
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

262
262
262
263
263
263
263
263
263
264
264
264
264
264
264
264
264
265
265
265
265
266
266
266
266
266
266
266
266
267
267
267
267
267
267
267
267
267
268
268
268
268
268
268
268
268
268
268
268
268
268
268
269
269
269
269
269
269
269
269

33.409
32.982
33.104
33.902
33.903
34.614
34.194
32.476
31.834
35.700
36.447
35.606
35.368
37.738
38.805
39.678
38.759
35.074
34.383
35.428
36.484
35.097
36.061
37.271
37.127
35.404
34.243
34.173
33.437
38.424
39.688
39.588
39.873
40.856
41.163
42.343
43.721
44.247
39.085
39.061
40.476
40.747
38.029
36.613
35.768
35.984
34.633
34.730
36.387
33.861
35.514
34.251
41.386
42.835
43.156
42.741
43.474
45.006
45.557
45.558

47.194
46.154
48.361
45.026
45.433
44.389
43.242
45.592
46.604
44.800
43.896
43.445
42.260
44.547
44.772
45.617
43.988
44.464
44.294
44.425
45.030
43.888
43.848
42.997
42.060
43.316
44.199
45.375
43.668
43.330
42.655
41.140
40.387
43.188
44.653
45.211
44.990
43.627
40.743
39.328
38.752
37.808
38.518
38.929
39.669
38.577
39.809
39.159
37.829
38.994
37.656
38.238
39.494
39.257
37.761
37.096
40.033
40.005
40.751
40.605

50.932
50.377
50.616
55.301
56.720
57.579
57.642
57.240
56.471
58.227
59.129
60.331
60.534
59.646
58.572
58.677
57.520
61.019
62.306
63.417
63.229
64.584
65.701
65.300
64.516
66.979
67.460
67.036
68.250
65.871
65.521
65.710
64.788
66.357
66.038
66.844
66.205
66.370
66.890
67.306
67.175
66.440
66.505
66.893
66.182
68.072
66.866
68.024
69.170
69.094
70.234
70.195
67.814
67.779
67.889
68.842
68.936
68.907
67.688
70.200

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.77
0.77
0.77
0.79
0.79
0.79
0.79
0.79
0.79
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.77
0.77
0.77
0.77
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81

C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
N
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11226
11227
11228
11229
11230
11231
11232
11233
11234
11235
11236
11237
11238
11239
11240
11241
11242
11243
11244
11245
11246
11247
11248
11249
11250
11251
11252
11253
11254
11255
11256
11257
11258
11259
11260
11261
11262
11263
11264
11265
11266
11267
11268
11269
11270
11271
11272
11273
11274
11275
11276
11277
11278
11279
11280
11281
11282
11283
11284
11285

N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1

GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

270
270
270
270
271
271
271
271
272
272
272
272
272
272
272
272
273
273
273
273
273
273
273
273
273
274
274
274
274
275
275
275
275
276
276
276
276
276
276
276
276
276
276
276
277
277
277
277
277
277
277
278
278
278
278
278
278
278
278
278

43.866
44.191
43.582
43.038
43.774
43.282
43.658
44.080
43.561
43.896
43.920
43.155
42.869
43.396
41.447
42.472
44.783
44.765
43.471
43.064
45.993
46.185
47.331
47.542
48.088
42.852
41.590
41.733
42.351
41.187
41.085
40.145
39.127
40.530
39.822
40.299
41.479
40.187
39.670
38.348
40.569
37.924
40.149
38.821
39.358
39.639
38.526
37.355
39.866
38.614
40.521
38.927
38.020
37.605
38.387
38.695
39.069
40.272
38.252
40.201

37.296
35.872
35.365
36.126
34.066
33.383
31.904
31.383
31.282
29.862
29.587
30.186
28.963
27.519
29.086
26.524
28.667
28.165
27.354
26.596
27.286
26.962
25.970
25.660
26.810
27.561
26.885
26.073
26.505
24.866
23.945
24.551
25.158
24.334
24.836
24.004
23.648
26.312
26.902
26.746
27.552
27.250
28.064
27.918
23.667
22.826
22.971
23.165
21.367
20.695
20.522
22.773
22.888
21.515
20.562
23.676
25.090
25.478
26.139
26.776

66.867
66.694
65.382
64.581
65.173
63.969
64.031
65.067
62.869
62.676
61.169
60.410
63.402
63.462
62.814
64.169
60.768
59.386
59.191
60.076
59.174
57.697
57.534
56.057
55.323
58.028
57.686
56.404
55.423
56.474
55.336
54.300
54.640
53.057
51.872
50.684
50.606
51.672
50.359
49.965
49.528
48.747
48.311
47.929
49.816
48.640
47.595
47.935
49.098
49.679
48.003
46.348
45.197
44.669
44.632
44.072
44.513
44.927
44.536
45.192

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.88
0.88
0.88
0.88
0.93
0.93
0.93
0.93
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88

N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11286
11287
11288
11289
11290
11291
11292
11293
11294
11295
11296
11297
11298
11299
11300
11301
11302
11303
11304
11305
11306
11307
11308
11309
11310
11311
11312
11313
11314
11315
11316
11317
11318
11319
11320
11321
11322
11323
11324
11325
11326
11327
11328
11329
11330
11331
11332
11333
11334
11335
11336
11337
11338
11339
11340
11341
11342
11343
11344
11345

NE2
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C

HIS
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

278
279
279
279
279
279
279
279
279
279
280
280
280
280
280
280
280
280
280
280
280
281
281
281
281
281
281
281
281
282
282
282
282
282
283
283
283
283
283
283
284
284
284
284
284
284
284
284
284
285
285
285
285
285
285
285
285
286
286
286

38.956
36.345
35.693
35.203
34.049
34.538
33.707
32.354
31.844
31.752
36.159
35.910
35.045
35.389
37.216
38.329
39.635
40.718
41.295
40.901
42.297
33.932
33.066
33.072
33.536
31.658
31.652
30.154
30.535
32.501
32.501
31.923
32.548
31.712
30.821
30.077
29.711
28.768
28.810
28.006
30.493
30.275
31.573
32.460
29.164
28.838
27.749
26.375
25.364
31.640
32.725
32.151
31.246
33.568
35.040
33.423
35.688
32.763
32.416
33.573

27.183
21.480
20.336
20.806
21.198
19.862
18.760
18.560
19.372
17.432
20.903
21.347
20.312
19.126
21.470
22.149
21.990
21.879
20.751
19.571
20.793
20.797
20.026
20.718
21.851
19.928
18.954
19.083
20.638
20.050
20.564
21.988
22.873
19.614
22.211
23.487
24.059
24.840
23.272
22.256
23.696
24.162
24.064
23.265
23.320
23.792
22.961
23.298
22.656
24.906
24.878
24.598
25.301
26.169
25.807
27.215
24.907
23.640
23.325
23.759

44.952
44.268
43.613
42.235
42.031
44.500
43.832
44.512
45.276
44.224
41.330
39.947
39.223
39.148
39.163
39.956
39.191
40.177
40.578
40.146
41.427
38.711
37.803
36.439
36.315
38.392
39.575
40.612
41.383
35.440
34.056
33.950
33.376
33.152
34.664
34.610
35.989
36.125
33.777
34.388
37.002
38.382
39.189
38.886
39.027
40.446
41.105
40.551
41.391
40.213
41.194
42.588
43.036
41.077
40.833
42.196
41.898
43.264
44.662
45.559

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.71
0.71
0.71
0.71
0.71
0.67
0.67
0.67
0.67
0.67
0.67
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.85
0.85
0.85

N
N
C
C
O
C
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11346
11347
11348
11349
11350
11351
11352
11353
11354
11355
11356
11357
11358
11359
11360
11361
11362
11363
11364
11365
11366
11367
11368
11369
11370
11371
11372
11373
11374
11375
11376
11377
11378
11379
11380
11381
11382
11383
11384
11385
11386
11387
11388
11389
11390
11391
11392
11393
11394
11395
11396
11397
11398
11399
11400
11401
11402
11403
11404
11405

O
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB

GLY
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
THR
THR
THR
THR
THR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

286
287
287
287
287
287
287
287
287
287
287
287
288
288
288
288
288
288
288
288
288
288
288
288
288
288
289
289
289
289
289
289
289
289
289
289
289
289
290
290
290
290
290
290
291
291
291
291
291
291
291
291
291
291
291
292
292
292
292
292

34.717
33.268
34.266
33.908
32.784
34.295
34.845
34.858
35.409
34.713
33.398
35.331
34.867
34.703
35.632
36.789
35.058
34.145
34.259
33.066
33.314
32.577
32.486
31.517
31.427
30.942
35.087
35.800
35.557
34.500
35.291
35.309
34.224
36.315
34.131
36.221
35.129
35.026
36.546
36.468
36.458
36.940
37.679
37.787
35.875
35.818
35.809
35.183
34.554
33.528
32.121
32.047
30.904
29.744
30.893
36.389
36.292
34.834
34.046
37.214

23.375
24.645
25.148
24.656
24.858
26.675
27.214
28.739
29.254
29.850
29.994
30.297
23.959
23.344
24.029
24.316
21.857
21.094
21.046
20.300
20.245
19.761
19.968
18.862
19.073
18.518
24.272
24.990
24.289
23.689
26.431
27.177
27.033
28.087
27.805
28.870
28.726
29.498
24.411
23.906
25.103
26.186
23.030
21.964
24.879
25.868
25.054
23.984
26.729
26.590
27.039
28.486
29.149
28.540
30.433
25.611
24.990
25.080
25.905
25.671

45.321
46.493
47.454
48.855
49.325
47.427
46.108
46.137
44.873
43.905
43.996
42.819
49.443
50.772
51.767
51.452
50.705
49.744
48.419
50.093
47.923
48.919
51.305
48.967
51.362
50.186
52.947
54.017
55.351
55.570
54.121
52.784
51.928
52.484
50.782
51.341
50.492
49.381
56.215
57.595
58.545
58.211
57.921
56.976
59.709
60.795
62.097
62.143
60.587
61.714
61.416
61.241
61.272
61.484
61.043
63.144
64.485
64.962
64.513
65.500

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82

O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11406
11407
11408
11409
11410
11411
11412
11413
11414
11415
11416
11417
11418
11419
11420
11421
11422
11423
11424
11425
11426
11427
11428
11429
11430
11431
11432
11433
11434
11435
11436
11437
11438
11439
11440
11441
11442
11443
11444
11445
11446
11447
11448
11449
11450
11451
11452
11453
11454
11455
11456
11457
11458
11459
11460
11461
11462
11463
11464
11465

OG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
OD1
ND2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA
C
O
CB
CG
SD
CE
N

THR
THR
MET
MET
MET
MET
MET
MET
MET
MET
SER
SER
SER
SER
SER
SER
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
THR
THR
THR
THR
THR
THR
THR
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ASN
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
MET
MET
MET
MET
MET
MET
MET
MET
GLY

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

292
292
293
293
293
293
293
293
293
293
294
294
294
294
294
294
295
295
295
295
295
295
295
295
295
296
296
296
296
296
296
296
297
297
297
297
297
297
297
297
298
298
298
298
298
298
298
298
298
298
298
299
299
299
299
299
299
299
299
300

36.792
38.686
34.414
33.016
32.773
31.715
32.626
31.110
30.530
31.055
33.760
33.737
34.058
35.021
34.768
34.835
33.324
33.586
34.945
35.641
32.537
31.106
30.230
28.958
29.261
35.279
36.413
37.652
38.775
35.960
35.412
34.924
37.423
38.515
38.645
37.697
38.274
38.290
38.081
38.516
39.813
40.165
39.668
40.425
41.677
42.135
43.265
44.601
45.572
45.378
46.771
38.367
37.672
36.646
35.938
36.941
37.872
38.979
37.876
36.540

27.024
25.589
24.137
24.166
25.280
25.905
22.796
22.710
20.991
20.469
25.474
26.572
27.897
27.979
26.301
27.367
28.940
30.304
30.833
31.569
31.318
31.009
32.237
31.893
31.505
30.443
31.024
30.123
30.589
31.458
30.346
32.587
28.824
27.861
26.903
26.676
27.105
28.031
29.230
27.460
26.283
25.370
23.932
22.962
25.439
26.881
26.916
27.154
27.809
28.327
27.931
23.846
22.578
22.294
23.205
22.689
23.021
21.652
20.758
21.012

65.636
65.080
65.785
66.254
67.286
67.311
66.779
66.981
67.167
65.557
68.157
69.141
68.438
67.685
70.239
71.199
68.819
68.302
68.786
68.097
68.767
68.329
68.588
69.368
70.754
70.014
70.758
70.856
70.700
72.163
72.881
72.089
71.029
71.247
70.060
69.309
72.561
73.788
73.749
74.946
69.979
68.872
69.123
69.213
68.627
68.399
67.384
67.945
67.304
66.095
67.851
69.382
69.676
68.574
68.126
71.021
72.193
72.691
73.765
68.215

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.70
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.80

O
C
N
C
C
O
C
C
S
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
O
C
N
C
C
O
C
C
O
N
N
C
C
O
C
C
C
N
C
N
N
N
C
C
O
C
C
S
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11466
11467
11468
11469
11470
11471
11472
11473
11474
11475
11476
11477
11478
11479
11480
11481
11482
11483
11484
11485
11486
11487
11488
11489
11490
11491
11492
11493
11494
11495
11496
11497
11498
11499
11500
11501
11502
11503
11504
11505
11506
11507
11508
11509
11510
11511
11512
11513
11514
11515
11516
11517
11518
11519
11520
11521
11522
11523
11524
11525

CA
C
O
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
NE
CZ
NH1
NH2
N
CA

GLY
GLY
GLY
MET
MET
MET
MET
MET
MET
MET
MET
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
ARG
TYR
TYR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

300
300
300
301
301
301
301
301
301
301
301
302
302
302
302
302
302
302
302
302
303
303
303
303
303
303
303
303
304
304
304
304
304
304
304
304
304
304
304
304
305
305
305
305
305
305
305
306
306
306
306
306
306
306
306
306
306
306
307
307

35.627
36.016
36.928
35.266
35.520
34.346
33.937
36.794
37.338
38.017
39.472
33.876
32.715
33.125
34.050
31.629
31.267
30.328
30.333
29.609
32.378
32.594
31.478
30.307
32.535
33.647
33.237
33.997
31.872
30.949
31.184
32.260
31.098
30.546
31.370
29.231
30.875
28.739
29.565
29.078
30.137
30.146
29.316
28.355
29.661
28.171
30.045
29.671
28.977
29.439
30.577
29.314
28.503
28.997
28.190
26.968
26.333
26.370
28.618
28.876

20.555
21.102
21.919
20.673
21.050
20.619
19.450
20.353
20.964
22.652
22.303
21.568
21.383
21.604
22.368
22.399
22.378
23.508
24.558
23.278
20.959
21.062
21.902
21.741
19.663
19.372
18.140
20.531
22.776
23.640
23.538
23.129
25.093
25.285
25.047
25.691
25.214
25.871
25.637
25.833
23.864
23.869
25.042
25.483
22.501
22.230
22.317
25.457
26.523
26.491
26.834
27.879
29.011
30.346
31.461
31.807
31.140
32.829
25.832
25.686

67.150
65.772
65.645
64.766
63.362
62.482
62.493
62.865
61.570
61.769
62.729
61.692
60.802
59.345
59.061
61.154
62.640
63.066
62.388
64.060
58.462
57.015
56.388
56.746
56.399
55.384
54.591
54.447
55.476
54.720
53.213
52.766
55.176
56.588
57.680
56.780
58.962
58.064
59.154
60.403
52.474
51.003
50.463
51.096
50.485
50.735
49.017
49.254
48.514
47.055
46.728
49.133
48.506
49.056
48.557
48.964
49.918
48.382
46.254
44.813

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80

C
C
O
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
N
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11526
11527
11528
11529
11530
11531
11532
11533
11534
11535
11536
11537
11538
11539
11540
11541
11542
11543
11544
11545
11546
11547
11548
11549
11550
11551
11552
11553
11554
11555
11556
11557
11558
11559
11560
11561
11562
11563
11564
11565
11566
11567
11568
11569
11570
11571
11572
11573
11574
11575
11576
11577
11578
11579
11580
11581
11582
11583
11584
11585

C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
OG1
CG2
N
CA

TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
PRO
PRO
PRO
PRO
PRO
PRO
PRO
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
THR
THR
THR
THR
THR
THR
THR
ASP
ASP

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

307
307
307
307
307
307
307
307
307
307
308
308
308
308
308
308
308
308
309
309
309
309
310
310
310
310
310
310
310
310
311
311
311
311
311
311
311
312
312
312
312
312
312
312
312
312
312
312
312
312
312
313
313
313
313
313
313
313
314
314

28.632
27.571
27.947
28.250
27.736
29.023
27.994
29.280
28.764
28.995
29.605
29.557
29.347
29.209
28.442
28.632
29.803
27.615
29.469
29.329
30.705
31.737
30.662
31.891
32.093
31.334
31.833
33.154
34.131
33.158
33.077
33.437
33.654
33.273
34.750
34.643
33.961
34.090
34.298
33.035
33.103
35.090
36.556
37.175
37.536
38.475
38.741
37.522
39.931
38.712
39.917
31.898
30.652
29.362
28.325
30.419
30.515
31.383
29.443
28.259

27.011
27.619
24.629
23.256
22.925
22.340
21.678
21.089
20.761
19.536
27.408
28.655
29.868
29.758
28.573
27.392
27.128
26.741
31.038
32.305
32.948
32.371
34.214
34.976
35.116
35.854
36.327
37.104
36.529
38.267
34.392
34.463
35.914
36.279
33.689
32.662
33.441
36.744
38.186
39.004
40.004
38.775
38.332
37.748
38.637
37.698
38.218
39.261
38.407
39.442
39.014
38.569
39.362
38.641
39.284
40.141
39.256
41.326
37.352
36.576

44.107
44.271
44.227
44.819
46.063
44.123
46.604
44.660
45.905
46.431
43.294
42.513
43.437
44.654
41.455
40.499
40.140
40.190
42.817
43.548
43.675
43.330
44.049
44.254
45.767
46.402
43.527
43.612
44.148
43.164
46.321
47.753
48.200
49.308
47.863
46.738
45.616
47.248
47.456
47.741
48.449
46.279
46.306
47.338
45.370
47.102
45.913
44.127
45.227
43.430
43.978
47.204
47.298
47.715
47.874
45.998
44.876
45.868
48.031
48.440

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.85
0.85
0.85
0.85
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.84
0.84

C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
O
C
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11586
11587
11588
11589
11590
11591
11592
11593
11594
11595
11596
11597
11598
11599
11600
11601
11602
11603
11604
11605
11606
11607
11608
11609
11610
11611
11612
11613
11614
11615
11616
11617
11618
11619
11620
11621
11622
11623
11624
11625
11626
11627
11628
11629
11630
11631
11632
11633
11634
11635
11636
11637
11638
11639
11640
11641
11642
11643
11644
11645

C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
OG
N
CA
C
O
N
CA

ASP
ASP
ASP
ASP
ASP
ASP
SER
SER
SER
SER
SER
SER
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
THR
THR
THR
THR
THR
THR
THR
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
VAL
VAL

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

314
314
314
314
314
314
315
315
315
315
315
315
316
316
316
316
316
316
316
316
317
317
317
317
317
318
318
318
318
318
318
318
318
319
319
319
319
319
319
319
320
320
320
320
320
320
320
320
321
321
321
321
321
321
322
322
322
322
323
323

28.118
28.930
28.306
27.928
28.230
27.420
27.085
26.782
26.233
26.361
25.772
26.283
25.592
24.894
25.832
26.982
24.337
23.494
22.297
24.079
25.306
25.982
26.291
25.525
25.050
27.438
27.776
26.820
26.143
29.228
30.346
30.022
30.752
26.753
25.923
26.741
27.814
25.482
24.755
24.615
26.221
26.787
26.676
25.657
26.054
26.640
28.120
25.834
27.717
27.852
28.252
28.323
28.843
28.396
28.484
28.845
29.927
30.644
29.944
30.890

36.496
35.868
35.177
35.153
36.130
34.096
37.171
37.246
35.941
35.685
38.356
39.603
35.141
33.917
32.992
32.775
33.130
33.953
34.106
34.451
32.524
31.526
30.273
29.923
31.129
29.666
28.379
27.283
27.421
27.956
28.893
29.634
29.893
26.219
25.052
24.132
23.669
24.305
25.207
23.078
23.932
22.944
21.545
21.206
23.009
22.059
22.343
22.166
20.755
19.447
18.292
17.140
19.567
20.592
18.623
17.614
18.077
19.057
17.350
17.526

49.960
50.634
47.828
46.344
45.627
45.919
50.450
51.898
52.481
53.677
52.193
51.722
51.626
52.060
52.847
52.471
50.871
49.901
50.205
48.912
53.973
54.816
53.992
53.091
55.965
54.263
53.633
54.110
55.135
53.901
53.417
52.128
54.487
53.330
53.672
54.577
54.189
52.406
51.568
52.712
55.783
56.715
56.088
55.486
58.061
59.117
59.399
60.411
56.297
55.617
56.541
56.114
54.454
53.562
57.821
58.828
59.803
59.590
60.906
62.019

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.84
0.83
0.83
0.83
0.83
0.83
0.83
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.90
0.90
0.90
0.90
0.90
0.90
0.91
0.91
0.91
0.91
0.84
0.84

C
O
C
C
O
O
N
C
C
O
C
O
N
C
C
O
C
C
O
O
N
C
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
C
N
C
C
O
C
C
C
C
N
C
C
O
C
O
N
C
C
O
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11646
11647
11648
11649
11650
11651
11652
11653
11654
11655
11656
11657
11658
11659
11660
11661
11662
11663
11664
11665
11666
11667
11668
11669
11670
11671
11672
11673
11674
11675
11676
11677
11678
11679
11680
11681
11682
11683
11684
11685
11686
11687
11688
11689
11690
11691
11692
11693
11694
11695
11696
11697
11698
11699
11700
11701
11702
11703
11704
11705

C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG
CD
N

VAL
VAL
VAL
VAL
VAL
MET
MET
MET
MET
MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
SER
SER
SER
SER
SER
SER
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
PRO
PRO
PRO
PRO
PRO
PRO
PRO
GLY

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

323
323
323
323
323
324
324
324
324
324
324
324
324
325
325
325
325
325
325
325
326
326
326
326
326
326
327
327
327
327
327
327
327
327
328
328
328
328
328
328
328
328
328
329
329
329
329
329
329
329
329
329
330
330
330
330
330
330
330
331

31.959
31.701
30.119
31.042
29.093
33.138
34.298
34.882
35.267
35.349
34.771
35.952
36.121
34.879
35.352
34.302
33.798
36.727
37.305
37.767
34.044
33.081
33.791
35.012
32.431
33.414
33.005
33.528
34.326
35.012
32.441
31.045
32.417
30.987
34.141
34.952
36.385
37.264
34.290
33.680
32.168
31.497
31.701
36.590
37.890
38.592
37.921
37.704
37.341
38.511
39.482
38.410
39.931
40.771
40.613
40.632
42.205
42.061
40.765
40.493

16.437
15.258
17.370
17.271
18.495
16.870
15.965
15.648
14.526
16.598
16.819
17.516
19.171
16.664
16.557
17.249
18.318
17.244
17.094
16.695
16.663
17.221
18.210
18.160
16.092
15.407
19.034
20.027
19.433
20.160
20.981
20.358
22.254
19.263
18.133
17.398
17.107
16.827
16.084
16.176
16.431
16.048
16.974
17.130
16.817
18.063
19.008
15.758
14.362
13.717
13.319
13.618
18.068
19.166
19.344
18.367
18.736
17.837
17.087
20.612

61.872
62.122
63.342
64.561
63.518
61.465
61.341
62.726
63.036
60.429
59.027
57.819
58.450
63.581
64.970
65.853
65.501
65.086
66.485
64.101
67.014
67.983
68.915
69.080
68.790
69.573
69.594
70.560
71.734
72.442
71.085
71.241
70.245
72.312
71.985
72.975
72.502
73.315
73.396
74.801
74.823
73.836
75.846
71.188
70.581
70.003
69.574
69.493
69.996
70.739
70.056
71.978
70.044
69.523
68.009
67.257
69.830
71.054
70.772
67.613

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.84
0.84
0.84
0.84
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.80

C
O
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
C
C
C
N
C
C
O
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11706
11707
11708
11709
11710
11711
11712
11713
11714
11715
11716
11717
11718
11719
11720
11721
11722
11723
11724
11725
11726
11727
11728
11729
11730
11731
11732
11733
11734
11735
11736
11737
11738
11739
11740
11741
11742
11743
11744
11745
11746
11747
11748
11749
11750
11751
11752
11753
11754
11755
11756
11757
11758
11759
11760
11761
11762
11763
11764
11765

CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
OG
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
N
CA
C
O
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2

GLY
GLY
GLY
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
SER
SER
SER
SER
SER
SER
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
GLY
GLY
GLY
GLY
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE
PHE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

331
331
331
332
332
332
332
332
332
332
332
332
332
332
332
332
332
333
333
333
333
333
333
333
333
333
333
333
333
334
334
334
334
334
334
335
335
335
335
335
335
335
335
335
335
335
336
336
336
336
337
337
337
337
337
337
337
337
337
337

40.445
41.316
40.933
42.523
43.481
43.564
42.542
44.846
44.800
43.945
45.655
44.207
45.246
46.738
45.909
47.394
46.980
44.758
44.983
44.365
44.384
46.482
47.202
46.743
48.356
47.419
49.038
48.568
49.295
43.622
43.071
43.547
43.933
41.543
40.965
43.621
44.136
43.413
42.701
45.651
46.014
45.987
46.254
46.201
46.465
46.442
43.645
43.098
44.231
45.294
43.996
44.906
44.080
42.894
45.996
45.438
45.024
45.414
44.598
44.993

21.013
22.252
23.349
22.029
23.120
23.357
23.282
22.808
22.853
22.193
23.562
22.461
23.292
24.403
23.868
24.989
24.726
23.636
23.886
22.769
21.595
23.945
25.187
25.901
25.607
27.015
26.729
27.428
28.448
23.196
22.275
22.742
23.900
22.203
23.488
21.795
22.039
21.165
20.229
21.796
20.407
19.311
20.239
18.039
18.967
17.868
21.508
20.765
20.280
20.900
19.125
18.500
17.614
17.388
17.682
16.509
16.706
15.240
15.625
14.158

66.193
65.957
66.357
65.451
65.179
63.669
62.984
65.812
67.334
68.114
68.159
69.385
69.455
67.924
70.526
68.998
70.298
63.152
61.720
60.885
61.255
61.405
61.940
63.046
61.290
63.495
61.738
62.840
63.346
59.893
58.891
57.519
57.331
58.981
58.742
56.605
55.247
54.222
54.581
55.209
55.737
54.884
57.094
55.396
57.605
56.755
52.955
51.812
50.907
50.826
50.312
49.333
48.398
48.635
50.039
50.846
52.156
50.281
52.915
51.040

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.83
0.86
0.86
0.86
0.86
0.86
0.86
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.93
0.93
0.93
0.93
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89

C
C
O
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
O
N
C
C
O
C
C
C
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11766
11767
11768
11769
11770
11771
11772
11773
11774
11775
11776
11777
11778
11779
11780
11781
11782
11783
11784
11785
11786
11787
11788
11789
11790
11791
11792
11793
11794
11795
11796
11797
11798
11799
11800
11801
11802
11803
11804
11805
11806
11807
11808
11809
11810
11811
11812
11813
11814
11815
11816
11817
11818
11819
11820
11821
11822
11823
11824
11825

CZ
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
SG
N

PHE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
CYS
CYS
CYS
CYS
CYS
CYS
ASP

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

337
338
338
338
338
338
338
338
338
338
339
339
339
339
339
339
339
339
340
340
340
340
340
340
340
340
340
341
341
341
341
341
341
341
341
342
342
342
342
342
342
342
342
342
343
343
343
343
343
343
343
343
343
344
344
344
344
344
344
345

44.588
44.690
43.977
44.771
45.903
43.703
42.844
42.472
42.206
42.504
44.193
44.745
44.564
43.511
44.053
44.034
44.810
43.178
45.589
45.602
45.200
45.889
47.000
47.391
46.700
47.196
46.734
43.986
43.461
43.685
43.742
41.976
41.357
42.076
40.240
43.615
43.877
43.356
44.080
43.277
43.622
45.127
45.378
46.813
42.142
41.530
40.965
40.407
40.427
40.967
40.689
39.191
38.987
41.075
40.459
41.106
41.808
38.946
38.501
40.795

14.353
17.202
16.409
15.172
15.277
17.252
18.475
19.244
18.560
20.490
14.022
12.735
12.670
13.034
11.546
11.716
10.263
10.681
12.153
11.988
10.556
9.592
12.290
13.766
14.629
16.071
16.865
10.440
9.142
9.039
10.068
9.062
7.717
6.690
7.782
7.831
7.517
8.552
8.909
6.148
5.028
4.790
3.714
3.440
9.060
10.064
11.351
12.181
9.417
8.806
7.304
6.997
5.573
11.500
12.640
12.895
12.043
12.406
10.842
14.061

52.355
47.297
46.285
45.885
45.406
45.043
45.372
44.114
43.097
44.214
46.187
45.724
44.196
43.666
46.411
47.941
46.036
48.679
43.533
42.070
41.709
42.047
41.522
41.645
40.587
40.682
39.537
41.195
40.741
39.228
38.583
41.100
40.723
40.736
40.202
38.680
37.257
36.240
35.319
36.904
37.896
38.045
39.100
39.251
36.470
35.575
36.191
35.472
34.747
33.451
33.393
33.487
33.760
37.506
38.206
39.567
40.122
38.331
39.169
40.108

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.94
0.94
0.94
0.94
0.94
0.94
0.89

C
N
C
C
O
C
C
C
O
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
C
C
N
N
C
C
O
C
S
N

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11826
11827
11828
11829
11830
11831
11832
11833
11834
11835
11836
11837
11838
11839
11840
11841
11842
11843
11844
11845
11846
11847
11848
11849
11850
11851
11852
11853
11854
11855
11856
11857
11858
11859
11860
11861
11862
11863
11864
11865
11866
11867
11868
11869
11870
11871
11872
11873
11874
11875
11876
11877
11878
11879
11880
11881
11882
11883
11884
11885

CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
CD
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
N
CA
C
O
CB
CG1
CG2
CD1
N
CA
C
O
CB
CG
CD
OE1
OE2
N
CA
C
O

ASP
ASP
ASP
ASP
ASP
ASP
ASP
VAL
VAL
VAL
VAL
VAL
VAL
VAL
PRO
PRO
PRO
PRO
PRO
PRO
PRO
CYS
CYS
CYS
CYS
CYS
CYS
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLY
GLY
GLY
GLY
ILE
ILE
ILE
ILE
ILE
ILE
ILE
ILE
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
GLU
MET
MET
MET
MET

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

345
345
345
345
345
345
345
346
346
346
346
346
346
346
347
347
347
347
347
347
347
348
348
348
348
348
348
349
349
349
349
349
349
349
349
350
350
350
350
351
351
351
351
351
351
351
351
352
352
352
352
352
352
352
352
352
353
353
353
353

41.369
40.342
39.159
41.800
42.942
43.241
43.450
40.833
39.972
40.289
41.340
40.183
38.980
40.453
39.475
39.669
39.490
38.670
38.594
37.454
38.191
40.312
40.335
40.635
41.140
41.407
41.218
40.277
40.583
41.284
40.720
39.292
38.773
39.386
39.669
42.394
43.128
42.974
42.969
42.795
42.591
43.722
43.856
41.225
40.026
41.029
39.686
44.479
45.457
44.701
44.095
46.398
47.404
48.170
47.517
49.396
44.806
44.157
45.238
45.904

14.515
14.357
14.635
15.978
16.208
15.300
17.348
13.935
13.621
14.641
14.518
12.182
11.744
11.154
15.701
16.768
16.208
15.313
17.801
16.962
15.888
16.701
16.238
17.390
18.441
15.155
13.671
17.157
18.025
17.174
16.190
18.691
19.787
19.205
21.027
17.730
17.180
18.125
19.347
17.534
18.274
17.906
16.746
17.979
18.226
18.804
17.013
18.926
18.838
18.831
19.823
20.033
20.009
21.320
22.377
21.238
17.707
17.509
17.490
16.477

41.385
42.502
42.324
41.260
40.260
39.457
40.241
43.651
44.805
45.912
46.555
45.315
46.154
44.209
46.017
47.016
48.433
48.663
46.675
46.106
45.306
49.344
50.744
51.707
51.302
50.921
49.866
52.961
54.113
55.182
55.670
54.653
53.705
56.103
53.570
55.662
56.812
58.007
57.847
59.177
60.437
61.400
61.805
61.101
60.176
62.382
59.302
61.763
62.855
64.191
64.604
62.784
63.929
63.999
63.879
64.208
64.871
66.179
67.263
67.485

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.90
0.90
0.90
0.90
0.90
0.90
0.90
0.93
0.93
0.93
0.93
0.93
0.93
0.93
0.94
0.94
0.94
0.94
0.94
0.94
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.93
0.93
0.93
0.93
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.82
0.82
0.82
0.82

C
C
O
C
C
O
O
N
C
C
O
C
C
C
N
C
C
O
C
C
C
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
O
O
N
C
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11886
11887
11888
11889
11890
11891
11892
11893
11894
11895
11896
11897
11898
11899
11900
11901
11902
11903
11904
11905
11906
11907
11908
11909
11910
11911
11912
11913
11914
11915
11916
11917
11918
11919
11920
11921
11922
11923
11924
11925
11926
11927
11928
11929
11930
11931
11932
11933
11934
11935
11936
11937
11938
11939
11940
11941
11942
11943
11944
11945

CB
CG
SD
CE
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
N
CA
C
O
N
CA
C
O
CB
CG
CD
CE
NZ
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1

MET
MET
MET
MET
VAL
VAL
VAL
VAL
VAL
VAL
VAL
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
GLY
GLY
GLY
GLY
GLY
GLY
GLY
GLY
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
LYS
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

353
353
353
353
354
354
354
354
354
354
354
355
355
355
355
355
355
355
355
355
355
356
356
356
356
356
356
356
356
357
357
357
357
358
358
358
358
359
359
359
359
359
359
359
359
359
360
360
360
360
360
360
360
360
361
361
361
361
361
361

43.377
42.350
41.340
40.359
45.482
46.596
46.271
45.229
47.019
48.127
47.533
47.297
47.357
48.066
49.237
48.169
47.642
46.571
48.209
46.472
47.493
47.283
47.777
47.382
46.202
47.237
47.656
48.671
46.868
48.415
48.237
49.031
49.667
49.028
49.830
51.170
51.390
52.076
53.440
54.498
55.702
53.697
54.862
55.157
54.084
54.209
54.008
54.842
54.810
54.868
54.395
54.898
56.111
54.035
54.680
54.691
54.782
54.776
53.455
53.625

16.193
16.101
14.580
14.940
18.661
18.853
18.301
18.586
20.335
20.641
20.770
17.682
17.262
18.369
18.677
15.973
14.856
14.111
14.430
13.239
13.409
19.026
20.137
19.929
19.973
21.447
22.674
22.575
23.636
19.740
19.481
20.463
20.062
21.734
22.802
22.953
22.331
23.693
23.914
23.232
23.416
25.424
25.763
27.265
28.100
28.056
22.355
21.534
20.044
19.163
21.752
23.082
23.348
23.821
19.793
18.437
18.545
19.648
17.627
16.256

66.182
65.050
65.134
66.575
67.836
68.790
70.184
70.774
68.845
69.862
67.476
70.745
72.154
72.943
72.712
72.298
71.402
71.647
70.277
70.653
69.823
73.786
74.607
76.074
76.412
74.025
74.831
75.570
74.781
76.900
78.345
79.215
80.187
78.786
79.413
78.679
77.639
79.308
78.774
79.660
79.505
78.676
77.730
77.680
76.969
75.504
80.536
81.428
81.048
81.905
82.879
83.443
83.305
83.964
79.749
79.160
77.630
77.079
79.609
79.228

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.80
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.79
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.75
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.68
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.67
0.70
0.70
0.70
0.70
0.70
0.70

C
C
S
C
N
C
C
O
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
N
C
C
O
N
C
C
O
C
C
C
C
N
N
C
C
O
C
C
O
O
N
C
C
O
C
O

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

11946
11947
11948
11949
11950
11951
11952
11953
11954
11955
11956
11957
11958
11959
11960
11961
11962
11963
11964
11965
11966
11967
11968
11969
11970
11971
11972
11973
11974
11975
11976
11977
11978
11979
11980
11981
11982
11983
11984
11985
11986
11987
11988
11989
11990
11991
11992
11993
11994
11995
11996
11997
11998
11999
12000
12001
12002
12003
12004
12005

CG2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
ND1
CD2
CE1
NE2
N
CA
C
O
CB
OG
N
CA
C
O
CB
N
CA
C
O
CB
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
N
CA
C
O
CB
CG1
CG2

THR
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
HIS
SER
SER
SER
SER
SER
SER
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
ALA
THR
THR
THR
THR
THR
THR
THR
ALA
ALA
ALA
ALA
ALA
ILE
ILE
ILE
ILE
ILE
ILE
ILE

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

361
362
362
362
362
362
362
362
362
362
362
362
362
362
362
363
363
363
363
363
363
363
363
363
363
364
364
364
364
364
364
365
365
365
365
365
366
366
366
366
366
367
367
367
367
367
367
367
368
368
368
368
368
369
369
369
369
369
369
369

52.123
54.840
54.874
53.606
52.510
55.156
54.138
54.181
53.001
53.125
52.384
52.467
51.222
51.311
50.689
53.844
52.839
53.018
54.125
53.156
52.046
51.058
51.995
50.403
50.977
51.995
52.070
50.684
49.687
52.732
53.189
50.625
49.391
49.106
50.000
49.490
47.824
47.286
46.672
46.344
46.219
46.525
46.010
44.806
44.934
47.113
48.257
46.645
43.647
42.400
42.225
42.677
41.213
41.617
41.480
40.102
39.740
42.642
43.960
42.362

18.188
17.394
17.310
17.869
17.893
15.876
14.858
14.237
14.425
13.432
13.522
14.692
12.879
14.037
13.132
18.380
19.053
18.527
18.596
20.549
21.417
21.958
21.909
22.799
22.764
17.866
17.282
17.198
17.586
15.905
15.479
16.665
16.624
15.250
14.429
17.689
15.045
13.918
14.495
15.685
13.194
13.653
14.101
13.254
12.052
14.069
14.791
14.689
13.897
13.304
13.747
14.832
13.799
12.897
13.149
12.707
11.530
12.494
13.239
12.415

79.092
76.972
75.502
74.835
75.399
75.040
75.553
76.729
74.890
76.843
75.740
73.634
75.338
73.227
74.079
73.637
72.800
71.374
70.845
72.842
72.252
72.956
71.018
72.161
70.963
70.854
69.499
68.852
69.465
69.598
68.312
67.640
66.842
66.224
66.013
65.748
65.978
65.199
63.916
63.856
66.026
62.907
61.598
61.183
60.947
60.526
60.993
59.204
61.190
60.667
59.210
58.843
61.491
58.393
56.943
56.437
56.523
56.155
56.441
54.641

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.70
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.73
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.84
0.84
0.84
0.84
0.84
0.84
0.87
0.87
0.87
0.87
0.87
0.89
0.89
0.89
0.89
0.89
0.87
0.87
0.87
0.87
0.87
0.87
0.87
0.88
0.88
0.88
0.88
0.88
0.84
0.84
0.84
0.84
0.84
0.84
0.84

C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
N
C
C
N
N
C
C
O
C
O
N
C
C
O
C
N
C
C
O
C
N
C
C
O
C
O
C
N
C
C
O
C
N
C
C
O
C
C
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

12006
12007
12008
12009
12010
12011
12012
12013
12014
12015
12016
12017
12018
12019
12020
12021
12022
12023
12024
12025
12026
12027
12028
12029
12030
12031
12032
12033
12034
12035
12036
12037
12038
12039
12040
12041
12042
12043
12044
12045
12046
12047
12048
12049
12050
12051
12052
12053
12054
12055
12056
12057
12058
12059
12060
12061
12062
12063
12064
12065

CD1
N
CA
C
O
CB
CG
CD1
CD2
CE1
CE2
CZ
OH
N
CA
C
O
CB
SG
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
N
CA
C
O
CB
OG
N
CA
C
O
N
CA
C
O
CB
CG
CD
OE1
NE2
N
CA

ILE
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
TYR
CYS
CYS
CYS
CYS
CYS
CYS
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
MET
MET
MET
MET
MET
MET
MET
MET
GLY
GLY
GLY
GLY
SER
SER
SER
SER
SER
SER
GLY
GLY
GLY
GLY
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
GLN
LEU
LEU

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

369
370
370
370
370
370
370
370
370
370
370
370
370
371
371
371
371
371
371
372
372
372
372
372
372
372
372
373
373
373
373
373
373
373
373
374
374
374
374
375
375
375
375
375
375
376
376
376
376
377
377
377
377
377
377
377
377
377
378
378

45.225
39.429
38.154
38.348
38.993
37.067
36.650
37.570
35.342
37.193
34.957
35.886
35.511
37.850
37.888
36.482
35.583
38.815
40.594
36.323
35.076
34.817
35.598
35.191
33.864
32.900
34.116
33.777
33.395
31.890
31.114
33.855
35.293
35.862
36.392
31.522
30.119
29.147
29.454
27.981
26.867
26.341
26.920
25.735
26.244
25.399
24.733
25.181
25.501
25.259
25.704
27.017
27.313
24.680
23.224
22.768
23.305
21.696
27.858
29.020

12.620
13.675
13.464
13.780
14.767
14.373
13.956
13.928
13.553
13.481
13.108
13.066
12.613
12.874
13.013
12.871
12.305
11.954
12.185
13.436
13.348
11.894
11.305
14.236
14.360
15.325
14.790
11.313
9.917
9.749
10.120
9.036
8.556
7.608
8.954
9.203
8.884
10.014
11.211
9.594
10.512
10.303
9.528
10.302
10.544
11.174
11.109
12.297
13.372
12.031
13.008
12.466
11.288
13.052
13.150
14.569
15.297
14.939
13.334
12.867

55.833
55.835
55.128
53.647
53.290
55.707
57.119
58.164
57.345
59.416
58.601
59.630
60.846
52.825
51.358
50.771
51.405
50.754
51.120
49.580
48.799
48.376
47.625
47.557
46.798
47.488
45.355
48.954
48.680
48.501
49.381
49.835
49.668
51.123
52.159
47.332
47.009
47.383
47.300
47.840
48.155
49.575
50.320
47.152
45.842
49.957
51.268
52.119
51.608
53.407
54.419
54.993
54.848
55.558
55.085
54.752
53.933
55.414
55.543
56.324

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.89
0.93
0.93
0.93
0.93
0.93
0.93
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.88
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.85
0.89
0.89
0.89
0.89
0.88
0.88
0.88
0.88
0.88
0.88
0.86
0.86
0.86
0.86
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.80
0.80

C
N
C
C
O
C
C
C
C
C
C
C
O
N
C
C
O
C
S
N
C
C
O
C
C
C
C
N
C
C
O
C
C
S
C
N
C
C
O
N
C
C
O
C
O
N
C
C
O
N
C
C
O
C
C
C
O
N
N
C

ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM
ATOM

12066
12067
12068
12069
12070
12071
12072
12073
12074
12075
12076
12077
12078
12079
12080
12081
12082
12083
12084
12085
12086
12087
12088
12089
12090
12091
12092
12093
12094
12095
12096
12097
12098
12099
12100
12101
12102
12103
12104
12105
12106
12107
12108
12109
12110
12111
12112
12113
12114
12115
12116
12117
12118
12119
12120
12121
12122
12123
12124
12125

C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
N
CA
C
O
CB
CG
CD1
CD2
NE1
CE2
CE3
CZ2
CZ3
CH2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
OG1
CG2
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
OG1
CG2
N
CA
C

LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
TRP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
THR
THR
THR
THR
THR
THR
THR
VAL
VAL
VAL
VAL
VAL
VAL
VAL
THR
THR
THR
THR
THR
THR
THR
GLY
GLY
GLY

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D

378
378
378
378
378
378
379
379
379
379
379
379
379
379
380
380
380
380
380
380
380
380
380
380
380
380
380
380
381
381
381
381
381
381
381
381
382
382
382
382
382
382
382
383
383
383
383
383
383
383
384
384
384
384
384
384
384
385
385
385

28.467
27.526
29.803
31.180
32.124
31.108
29.029
28.453
29.101
28.408
28.427
27.138
25.882
27.015
30.430
31.178
32.308
32.969
31.683
31.272
30.299
31.819
30.205
31.112
32.802
31.385
33.063
32.356
32.480
33.516
34.793
34.778
32.963
32.522
31.857
32.858
35.805
37.130
37.445
37.158
38.207
37.877
39.602
38.028
38.607
40.095
40.485
37.853
36.360
38.028
40.885
42.337
42.673
43.653
43.175
43.028
42.803
41.905
42.069
43.237

12.074
12.516
14.114
13.818
14.951
13.739
10.894
9.957
9.958
9.945
8.510
8.077
8.328
8.697
9.955
9.751
10.751
11.209
8.305
7.630
8.021
6.472
7.169
6.206
5.589
5.061
4.432
4.169
11.069
11.991
11.224
10.000
12.802
11.937
10.908
12.313
11.996
11.471
11.837
12.935
12.044
11.703
11.481
10.853
10.994
10.623
9.904
10.119
10.467
8.616
11.020
10.742
9.439
8.778
11.905
11.989
13.244
9.194
8.012
8.153

57.525
58.182
56.743
57.339
56.943
58.867
57.766
58.755
60.139
61.155
58.238
57.520
58.360
56.133
60.150
61.392
61.602
60.659
61.452
62.765
63.593
63.296
64.607
64.458
62.857
65.191
63.582
64.750
62.865
63.360
63.747
63.896
64.544
65.730
65.478
66.873
64.105
64.471
65.920
66.403
63.535
62.191
63.821
66.580
67.925
67.813
66.892
68.949
68.990
68.709
68.792
68.738
69.475
69.142
69.288
70.710
68.643
70.556
71.424
72.414

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.80
0.80
0.80
0.80
0.80
0.80
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.76
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.77
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.82
0.82
0.82
0.82
0.82
0.82
0.82
0.81
0.81
0.81
0.81
0.81
0.81
0.81
0.86
0.86
0.86
0.86
0.86
0.86
0.86
0.84
0.84
0.84

C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
O
C
C
C
C
N
C
C
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
O
C
N
C
C
O
C
C
C
N
C
C
O
C
O
C
N
C
C

ATOM 12126
ATOM 12127
ATOM 12128
ATOM 12129
ATOM 12130
ATOM 12131
ATOM 12132
ATOM 12133
ATOM 12134
ATOM 12135
ATOM 12136
ATOM 12137
ATOM 12138
ATOM 12139
ATOM 12140
ATOM 12141
ATOM 12142
ATOM 12143
ATOM 12144
ATOM 12145
ATOM 12146
ATOM 12147
ATOM 12148
ATOM 12149
ATOM 12150
ATOM 12151
ATOM 12152
ATOM 12153
ATOM 12154
ATOM 12155
ATOM 12156
ATOM 12157
ATOM 12158
ATOM 12159
ATOM 12160
ATOM 12161
ATOM 12162
ATOM 12163
TER 12164
HETATM12165
HETATM12166
HETATM12167
HETATM12168
HETATM12169
HETATM12170
HETATM12171
HETATM12172
HETATM12173
HETATM12174
HETATM12175
HETATM12176
HETATM12177
HETATM12178
HETATM12179
HETATM12180
HETATM12181
HETATM12182
HETATM12183
HETATM12184
HETATM12185

O
N
CA
C
O
CB
CG1
CG2
N
CA
C
O
CB
CG
OD1
OD2
N
CA
C
O
CB
CG
SD
CE
N
CA
C
O
CB
N
CA
C
O
CB
CG
CD1
CD2
OXT
CA
CA
CA
CA
CA
C'
O1'
O2'
C1
C2
C3
N3
C3'
N1
N2
C4
N4
C4'
O4
CM4
C5

GLY
VAL
VAL
VAL
VAL
VAL
VAL
VAL
ASP
ASP
ASP
ASP
ASP
ASP
ASP
ASP
MET
MET
MET
MET
MET
MET
MET
MET
ALA
ALA
ALA
ALA
ALA
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
LEU
CA
CA
CA
CA
CA
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4

D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
D
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_

385
386
386
386
386
386
386
386
387
387
387
387
387
387
387
387
388
388
388
388
388
388
388
388
389
389
389
389
389
390
390
390
390
390
390
390
390
390
390
2
3
6
10
14
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4

43.375
44.054
45.240
44.826
44.091
46.191
47.428
46.672
45.495
45.487
46.894
47.869
45.166
45.171
45.705
44.727
46.940
48.224
48.989
50.196
48.065
47.739
47.847
49.615
48.291
48.905
49.576
50.096
47.846
49.611
50.283
51.751
52.095
49.481
48.040
47.390
47.948
52.494

7.365
9.182
9.445
9.963
10.943
10.423
10.789
9.822
9.377
9.835
10.384
9.634
8.646
8.981
10.056
8.114
11.662
12.351
11.916
12.137
13.872
14.365
16.183
16.399
11.293
10.805
9.423
8.881
10.797
8.882
7.595
7.744
8.839
6.771
6.479
5.510
5.888
6.748

73.347
72.210
73.043
74.426
74.562
72.330
73.162
71.010
75.404
76.799
77.081
77.124
77.715
79.214
79.580
79.988
77.442
77.689
78.950
79.033
77.662
76.249
76.071
76.067
79.901
81.152
81.028
82.002
82.258
79.811
79.548
79.118
78.618
78.532
78.985
78.005
80.396
79.279

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

0.84
0.78
0.78
0.78
0.78
0.78
0.78
0.78
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.69
0.66
0.66
0.66
0.66
0.66
0.66
0.66
0.66
0.61
0.61
0.61
0.61
0.61
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58
0.58

O
N
C
C
O
C
C
C
N
C
C
O
C
C
O
O
N
C
C
O
C
C
S
C
N
C
C
O
C
N
C
C
O
C
C
C
C
O

25.362
62.125
98.888
82.585
41.665
33.105
34.030
32.362
32.888
31.606
31.388
30.107
29.399
28.195
29.908
32.476
32.297
31.460
30.870
31.311
33.749

-20.460
0.000
20.460
-36.763
36.763
-12.458
-12.525
-13.437
-11.268
-10.931
-9.840
-9.567
-10.457
-10.145
-11.644
-9.045
-7.978
-6.973
-6.844
-5.899
-9.365

62.399
64.763
62.399
62.399
62.399
65.998
66.826
65.730
65.308
64.886
64.072
63.637
62.949
62.493
62.672
63.669
62.784
63.005
64.077
61.964
64.112

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

19.46
28.21
19.46
19.46
19.46
21.03
15.14
18.98
20.26
21.65
21.67
24.17
25.69
31.53
25.77
21.75
19.37
15.36
18.94
21.46
15.67

CA
CA
CA
CA
CA
C
O
O
C
C
C
N
C
N
N
C
N
C
O
C
C

HETATM12186
HETATM12187
HETATM12188
HETATM12189
HETATM12190
HETATM12191
HETATM12192
HETATM12193
HETATM12194
HETATM12195
HETATM12196
HETATM12197
HETATM12198
HETATM12199
HETATM12200
HETATM12201
HETATM12202
HETATM12203
HETATM12204
HETATM12205
HETATM12206
HETATM12207
HETATM12208
HETATM12209
HETATM12210
HETATM12211
HETATM12212
HETATM12213
HETATM12214
HETATM12215
HETATM12216
HETATM12217
HETATM12218
HETATM12219
HETATM12220
HETATM12221
HETATM12222
HETATM12223
HETATM12224
HETATM12225
HETATM12226
HETATM12227
HETATM12228
HETATM12229
HETATM12230
HETATM12231
HETATM12232
HETATM12233
HETATM12234
HETATM12235
HETATM12236
HETATM12237
HETATM12238
HETATM12239
HETATM12240
HETATM12241
HETATM12242
HETATM12243
HETATM12244
HETATM12245

C6
HN3
HN11
HN12
HN21
HN22
HN4
C'
O1'
O2'
C1
C2
C3
N3
C3'
N1
N2
C4
N4
C4'
O4
CM4
C5
C6
HN3
HN11
HN12
HN21
HN22
HN4
C'
O1'
O2'
C1
C2
C3
N3
C3'
N1
N2
C4
N4
C4'
O4
CM4
C5
C6
HN3
HN11
HN12
HN21
HN22
HN4
C'
O1'
O2'
C1
C2
C3
N3

ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4
ST4

_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_
_

4
4
4
4
4
4
4
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
12
16
16
16
16
16
16
16

33.947
29.683
27.670
27.805
30.826
29.369
32.803
91.145
90.220
91.888
91.362
92.644
92.862
94.143
94.851
96.055
94.342
91.774
91.953
92.790
93.380
92.939
90.501
90.303
94.567
96.580
96.445
93.424
94.881
91.447
74.583
74.650
75.562
73.393
73.056
71.965
71.692
72.582
72.270
73.769
71.170
70.103
69.098
68.969
68.024
71.490
72.582
70.829
72.948
71.364
74.019
74.427
70.056
49.667
49.600
48.688
50.857
51.194
52.285
52.558

-10.457
-8.704
-10.823
-9.239
-11.894
-12.302
-7.931
12.458
12.525
13.437
11.268
10.931
9.840
9.567
10.457
10.145
11.644
9.045
7.978
6.973
6.844
5.899
9.365
10.457
8.704
10.823
9.239
11.894
12.302
7.931
-29.020
-28.095
-29.763
-29.237
-30.519
-30.737
-32.018
-32.726
-33.930
-32.217
-29.649
-29.828
-30.665
-31.255
-30.814
-28.376
-28.178
-32.442
-34.455
-34.320
-31.299
-32.756
-29.322
29.020
28.095
29.763
29.237
30.519
30.737
32.018

64.924
63.827
61.985
62.661
62.970
62.148
61.955
65.998
66.826
65.730
65.308
64.886
64.072
63.637
62.949
62.493
62.672
63.669
62.784
63.005
64.077
61.964
64.112
64.924
63.827
61.985
62.661
62.970
62.148
61.955
65.998
66.826
65.730
65.308
64.886
64.072
63.637
62.949
62.493
62.672
63.669
62.784
63.005
64.077
61.964
64.112
64.924
63.827
61.985
62.661
62.970
62.148
61.955
65.998
66.826
65.730
65.308
64.886
64.072
63.637

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

15.34
15.00
15.00
15.00
15.00
15.00
15.00
21.03
15.14
18.98
20.26
21.65
21.67
24.17
25.69
31.53
25.77
21.75
19.37
15.36
18.94
21.46
15.67
15.34
15.00
15.00
15.00
15.00
15.00
15.00
21.03
15.14
18.98
20.26
21.65
21.67
24.17
25.69
31.53
25.77
21.75
19.37
15.36
18.94
21.46
15.67
15.34
15.00
15.00
15.00
15.00
15.00
15.00
21.03
15.14
18.98
20.26
21.65
21.67
24.17

C
H
H
H
H
H
H
C
O
O
C
C
C
N
C
N
N
C
N
C
O
C
C
C
H
H
H
H
H
H
C
O
O
C
C
C
N
C
N
N
C
N
C
O
C
C
C
H
H
H
H
H
H
C
O
O
C
C
C
N

HETATM12246 C3' ST4 _ 16

HETATM12247 N1 ST4 _ 16
HETATM12248 N2 ST4 _ 16
HETATM12249 C4 ST4 _ 16
HETATM12250 N4 ST4 _ 16
HETATM12251 C4' ST4 _ 16
HETATM12252 O4 ST4 _ 16
HETATM12253 CM4 ST4 _ 16
HETATM12254 C5 ST4 _ 16
HETATM12255 C6 ST4 _ 16
HETATM12256 HN3 ST4 _ 16
HETATM12257 HN11 ST4 _ 16
HETATM12258 HN12 ST4 _ 16
HETATM12259 HN21 ST4 _ 16
HETATM12260 HN22 ST4 _ 16
HETATM12261 HN4 ST4 _ 16
CONECT12170121711217212173
CONECT1217112170
CONECT1217212170
CONECT12173121701217412186
CONECT121741217312175
CONECT12175121741217612180
CONECT12176121751217712187
CONECT12177121761217812179
CONECT12178121771218812189
CONECT12179121771219012191
CONECT12180121751218112185
CONECT12181121801218212192
CONECT12182121811218312184
CONECT1218312182
CONECT1218412182
CONECT121851218012186
CONECT121861217312185
CONECT1218712176
CONECT1218812178
CONECT1218912178
CONECT1219012179
CONECT1219112179
CONECT1219212181
CONECT12193121941219512196
CONECT1219412193
CONECT1219512193
CONECT12196121931219712209
CONECT121971219612198
CONECT12198121971219912203
CONECT12199121981220012210
CONECT12200121991220112202
CONECT12201122001221112212
CONECT12202122001221312214
CONECT12203121981220412208
CONECT12204122031220512215
CONECT12205122041220612207
CONECT1220612205
CONECT1220712205
CONECT122081220312209
CONECT122091219612208
CONECT1221012199
CONECT1221112201
CONECT1221212201
CONECT1221312202

51.668
51.980
50.481
53.080
54.147
55.152
55.281
56.226
52.760
51.668
53.421
51.302
52.886
50.231
49.823
54.194

32.726
33.930
32.217
29.649
29.828
30.665
31.255
30.814
28.376
28.178
32.442
34.455
34.320
31.299
32.756
29.322

62.949
62.493
62.672
63.669
62.784
63.005
64.077
61.964
64.112
64.924
63.827
61.985
62.661
62.970
62.148
61.955

1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00
1.00

25.69
31.53
25.77
21.75
19.37
15.36
18.94
21.46
15.67
15.34
15.00
15.00
15.00
15.00
15.00
15.00

C
N
N
C
N
C
O
C
C
C
H
H
H
H
H
H

CONECT1221412202
CONECT1221512204
CONECT12216122171221812219
CONECT1221712216
CONECT1221812216
CONECT12219122161222012232
CONECT122201221912221
CONECT12221122201222212226
CONECT12222122211222312233
CONECT12223122221222412225
CONECT12224122231223412235
CONECT12225122231223612237
CONECT12226122211222712231
CONECT12227122261222812238
CONECT12228122271222912230
CONECT1222912228
CONECT1223012228
CONECT122311222612232
CONECT122321221912231
CONECT1223312222
CONECT1223412224
CONECT1223512224
CONECT1223612225
CONECT1223712225
CONECT1223812227
CONECT12239122401224112242
CONECT1224012239
CONECT1224112239
CONECT12242122391224312255
CONECT122431224212244
CONECT12244122431224512249
CONECT12245122441224612256
CONECT12246122451224712248
CONECT12247122461225712258
CONECT12248122461225912260
CONECT12249122441225012254
CONECT12250122491225112261
CONECT12251122501225212253
CONECT1225212251
CONECT1225312251
CONECT122541224912255
CONECT122551224212254
CONECT1225612245
CONECT1225712247
CONECT1225812247
CONECT1225912248
CONECT1226012248
CONECT1226112250
END