Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
647925 | 6ota RC | 30609 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 1.874 6.913 -3.727
2 H2 GLY 1 HT2 GLY 1 2.339 8.252 -2.828
3 H3 GLY 1 HT3 GLY 1 1.792 8.471 -4.424
4 HA2 GLY 1 HA1 GLY 1 0.060 9.053 -2.859
5 HA3 GLY 1 HA2 GLY 1 -0.369 7.560 -3.693
6 H CYS 2 HN CYS 2 -1.712 7.438 -1.609
7 HA CYS 2 HA CYS 2 -0.146 5.919 0.278
8 HB2 CYS 2 HB2 CYS 2 -1.960 8.179 0.946
9 HB3 CYS 2 HB1 CYS 2 -1.566 6.945 2.124
10 H CYS 3 HN CYS 3 -0.878 4.102 0.373
11 HA CYS 3 HA CYS 3 -3.733 3.538 -0.058
12 HB2 CYS 3 HB2 CYS 3 -1.409 1.667 -0.063
13 HB3 CYS 3 HB1 CYS 3 -3.046 1.289 -0.584
14 H SER 4 HN SER 4 -4.815 2.959 1.766
15 HA SER 4 HA SER 4 -3.389 1.959 4.080
16 HB2 SER 4 HB2 SER 4 -5.748 2.090 5.055
17 HB3 SER 4 HB1 SER 4 -5.022 3.627 4.575
18 HG SER 4 HG SER 4 -6.427 3.839 3.046
19 H ARG 5 HN ARG 5 -4.649 0.774 1.285
20 HA ARG 5 HA ARG 5 -5.416 -1.820 2.438
21 HB2 ARG 5 HB2 ARG 5 -7.135 -1.993 0.686
22 HB3 ARG 5 HB1 ARG 5 -7.392 -0.572 1.685
23 HG2 ARG 5 HG2 ARG 5 -6.350 0.816 -0.059
24 HG3 ARG 5 HG1 ARG 5 -6.161 -0.619 -1.060
25 HD2 ARG 5 HD2 ARG 5 -8.789 0.469 -0.058
26 HD3 ARG 5 HD1 ARG 5 -8.142 0.714 -1.676
27 HE ARG 5 HE ARG 5 -8.179 -1.997 -1.347
28 HH11 ARG 5 HH11 ARG 5 -10.647 0.558 -1.216
29 HH12 ARG 5 HH12 ARG 5 -11.913 -0.475 -1.682
30 HH21 ARG 5 HH21 ARG 5 -9.905 -3.372 -2.012
31 HH22 ARG 5 HH22 ARG 5 -11.495 -2.753 -2.151
32 HA PRO 6 HA PRO 6 -2.752 -3.829 -0.643
33 HB2 PRO 6 HB2 PRO 6 -5.155 -5.327 -1.579
34 HB3 PRO 6 HB1 PRO 6 -3.599 -5.955 -1.029
35 HG2 PRO 6 HG2 PRO 6 -5.746 -6.147 0.511
36 HG3 PRO 6 HG1 PRO 6 -4.163 -5.764 1.210
37 HD2 PRO 6 HD2 PRO 6 -6.475 -3.966 0.650
38 HD3 PRO 6 HD1 PRO 6 -5.359 -3.968 2.029
39 HA PRO 7 HA PRO 7 -2.194 -5.015 -2.443
40 HB2 PRO 7 HB2 PRO 7 -0.979 -5.052 -4.783
41 HB3 PRO 7 HB1 PRO 7 -2.672 -5.555 -4.592
42 HG2 PRO 7 HG2 PRO 7 -1.607 -3.017 -5.748
43 HG3 PRO 7 HG1 PRO 7 -3.003 -3.985 -6.249
44 HD2 PRO 7 HD2 PRO 7 -3.012 -1.710 -4.536
45 HD3 PRO 7 HD1 PRO 7 -4.377 -2.784 -4.895
46 H CYS 8 HN CYS 8 -1.919 -2.186 -1.890
47 HA CYS 8 HA CYS 8 0.920 -1.600 -2.343
48 HB2 CYS 8 HB2 CYS 8 -1.068 -0.111 -0.661
49 HB3 CYS 8 HB1 CYS 8 0.495 0.511 -1.187
50 H ILE 9 HN ILE 9 -0.344 -3.762 -0.493
51 HA ILE 9 HA ILE 9 0.487 -3.089 2.164
52 HB ILE 9 HB ILE 9 0.150 -5.496 2.646
53 HG12 ILE 9 HG12 ILE 9 -0.922 -5.591 -0.187
54 HG13 ILE 9 HG11 ILE 9 0.550 -6.369 0.376
55 HG21 ILE 9 HG21 ILE 9 -2.144 -3.947 1.438
56 HG22 ILE 9 HG22 ILE 9 -1.578 -3.870 3.106
57 HG23 ILE 9 HG23 ILE 9 -2.326 -5.345 2.495
58 HD11 ILE 9 HD11 ILE 9 -1.260 -7.961 0.162
59 HD12 ILE 9 HD12 ILE 9 -2.254 -7.008 1.262
60 HD13 ILE 9 HD13 ILE 9 -0.788 -7.792 1.853
61 H ALA 10 HN ALA 10 2.046 -4.295 -0.508
62 HA ALA 10 HA ALA 10 4.138 -5.745 0.807
63 HB1 ALA 10 HB1 ALA 10 5.252 -5.699 -1.390
64 HB2 ALA 10 HB2 ALA 10 4.049 -4.546 -1.964
65 HB3 ALA 10 HB3 ALA 10 3.562 -6.185 -1.532
66 H ASN 11 HN ASN 11 6.520 -4.858 0.118
67 HA ASN 11 HA ASN 11 6.760 -2.443 1.620
68 HB2 ASN 11 HB2 ASN 11 8.864 -4.193 0.347
69 HB3 ASN 11 HB1 ASN 11 9.258 -2.678 1.150
70 HD21 ASN 11 HD21 ASN 11 9.033 -2.537 3.371
71 HD22 ASN 11 HD22 ASN 11 8.882 -3.919 4.381
72 H ASN 12 HN ASN 12 5.612 -1.117 0.374
73 HA ASN 12 HA ASN 12 7.110 0.148 -1.792
74 HB2 ASN 12 HB2 ASN 12 5.377 -1.100 -2.925
75 HB3 ASN 12 HB1 ASN 12 4.172 -0.606 -1.750
76 HD21 ASN 12 HD21 ASN 12 2.855 0.107 -3.523
77 HD22 ASN 12 HD22 ASN 12 3.212 1.609 -4.291
78 HA PRO 13 HA PRO 13 6.745 3.677 0.948
79 HB2 PRO 13 HB2 PRO 13 6.794 5.061 -1.699
80 HB3 PRO 13 HB1 PRO 13 7.707 5.423 -0.231
81 HG2 PRO 13 HG2 PRO 13 8.888 4.167 -2.230
82 HG3 PRO 13 HG1 PRO 13 9.190 3.669 -0.556
83 HD2 PRO 13 HD2 PRO 13 7.539 2.348 -2.656
84 HD3 PRO 13 HD1 PRO 13 8.513 1.630 -1.354
85 H ASP 14 HN ASP 14 4.549 3.093 -1.734
86 HA ASP 14 HA ASP 14 2.701 5.180 -1.145
87 HB2 ASP 14 HB2 ASP 14 2.283 2.589 -2.636
88 HB3 ASP 14 HB1 ASP 14 0.994 3.756 -2.391
89 H LEU 15 HN LEU 15 3.327 2.301 0.422
90 HA LEU 15 HA LEU 15 0.754 2.018 1.666
91 HB2 LEU 15 HB2 LEU 15 2.279 0.112 1.433
92 HB3 LEU 15 HB1 LEU 15 3.461 0.918 2.435
93 HG LEU 15 HG LEU 15 1.891 0.761 4.354
94 HD11 LEU 15 HD11 LEU 15 -0.042 -0.744 4.186
95 HD12 LEU 15 HD12 LEU 15 0.216 -0.865 2.444
96 HD13 LEU 15 HD13 LEU 15 -0.217 0.683 3.166
97 HD21 LEU 15 HD21 LEU 15 2.172 -1.655 4.698
98 HD22 LEU 15 HD22 LEU 15 3.627 -0.910 4.042
99 HD23 LEU 15 HD23 LEU 15 2.564 -1.844 2.990
100 H CYS 16 HN CYS 16 0.104 3.727 2.813
101 HA CYS 16 HA CYS 16 2.008 4.914 4.709
102 HB2 CYS 16 HB2 CYS 16 -0.484 6.163 3.535
103 HB3 CYS 16 HB1 CYS 16 0.623 6.943 4.649
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 2.033 8.829 -3.291
2 H2 GLY 1 HT2 GLY 1 1.117 8.936 -4.731
3 H3 GLY 1 HT3 GLY 1 1.393 7.434 -3.967
4 HA2 GLY 1 HA1 GLY 1 -0.102 9.615 -2.703
5 HA3 GLY 1 HA2 GLY 1 -0.836 8.257 -3.554
6 H CYS 2 HN CYS 2 -1.804 7.539 -1.623
7 HA CYS 2 HA CYS 2 0.005 5.958 -0.049
8 HB2 CYS 2 HB2 CYS 2 -1.850 8.022 1.076
9 HB3 CYS 2 HB1 CYS 2 -1.380 6.612 2.005
10 H CYS 3 HN CYS 3 -0.709 4.055 0.286
11 HA CYS 3 HA CYS 3 -3.522 3.390 -0.282
12 HB2 CYS 3 HB2 CYS 3 -1.135 1.600 -0.065
13 HB3 CYS 3 HB1 CYS 3 -2.719 1.156 -0.683
14 H SER 4 HN SER 4 -4.632 3.068 1.664
15 HA SER 4 HA SER 4 -3.234 2.010 3.963
16 HB2 SER 4 HB2 SER 4 -5.621 2.220 4.906
17 HB3 SER 4 HB1 SER 4 -4.795 3.719 4.459
18 HG SER 4 HG SER 4 -7.096 2.812 3.572
19 H ARG 5 HN ARG 5 -4.466 0.886 1.219
20 HA ARG 5 HA ARG 5 -5.526 -1.611 2.328
21 HB2 ARG 5 HB2 ARG 5 -7.299 -1.637 0.708
22 HB3 ARG 5 HB1 ARG 5 -7.319 -0.049 1.435
23 HG2 ARG 5 HG2 ARG 5 -6.054 -0.639 -1.244
24 HG3 ARG 5 HG1 ARG 5 -7.719 -0.118 -1.051
25 HD2 ARG 5 HD2 ARG 5 -6.987 2.014 -0.153
26 HD3 ARG 5 HD1 ARG 5 -5.313 1.467 -0.124
27 HE ARG 5 HE ARG 5 -6.266 1.213 -2.723
28 HH11 ARG 5 HH11 ARG 5 -5.666 3.970 -0.520
29 HH12 ARG 5 HH12 ARG 5 -5.057 4.951 -1.748
30 HH21 ARG 5 HH21 ARG 5 -5.458 2.645 -4.380
31 HH22 ARG 5 HH22 ARG 5 -4.947 4.217 -3.967
32 HA PRO 6 HA PRO 6 -2.875 -3.810 -0.622
33 HB2 PRO 6 HB2 PRO 6 -5.354 -5.018 -1.772
34 HB3 PRO 6 HB1 PRO 6 -3.892 -5.816 -1.183
35 HG2 PRO 6 HG2 PRO 6 -6.097 -5.877 0.267
36 HG3 PRO 6 HG1 PRO 6 -4.522 -5.623 1.045
37 HD2 PRO 6 HD2 PRO 6 -6.666 -3.645 0.413
38 HD3 PRO 6 HD1 PRO 6 -5.631 -3.769 1.851
39 HA PRO 7 HA PRO 7 -2.258 -5.015 -2.319
40 HB2 PRO 7 HB2 PRO 7 -0.928 -5.244 -4.567
41 HB3 PRO 7 HB1 PRO 7 -2.686 -5.514 -4.498
42 HG2 PRO 7 HG2 PRO 7 -1.195 -3.159 -5.574
43 HG3 PRO 7 HG1 PRO 7 -2.662 -3.932 -6.192
44 HD2 PRO 7 HD2 PRO 7 -2.502 -1.664 -4.479
45 HD3 PRO 7 HD1 PRO 7 -3.967 -2.548 -4.954
46 H CYS 8 HN CYS 8 -1.700 -2.239 -1.755
47 HA CYS 8 HA CYS 8 1.173 -1.878 -2.203
48 HB2 CYS 8 HB2 CYS 8 -0.716 -0.189 -0.605
49 HB3 CYS 8 HB1 CYS 8 0.889 0.293 -1.149
50 H ILE 9 HN ILE 9 -0.070 -3.998 -0.291
51 HA ILE 9 HA ILE 9 0.631 -3.104 2.353
52 HB ILE 9 HB ILE 9 -0.099 -5.898 1.401
53 HG12 ILE 9 HG12 ILE 9 -1.908 -4.318 0.988
54 HG13 ILE 9 HG11 ILE 9 -2.345 -5.427 2.280
55 HG21 ILE 9 HG21 ILE 9 1.070 -6.007 3.507
56 HG22 ILE 9 HG22 ILE 9 -0.645 -6.354 3.754
57 HG23 ILE 9 HG23 ILE 9 0.007 -4.777 4.192
58 HD11 ILE 9 HD11 ILE 9 -1.449 -2.564 2.599
59 HD12 ILE 9 HD12 ILE 9 -1.819 -3.667 3.921
60 HD13 ILE 9 HD13 ILE 9 -3.089 -3.185 2.795
61 H ALA 10 HN ALA 10 2.215 -4.802 -0.193
62 HA ALA 10 HA ALA 10 4.314 -5.851 1.474
63 HB1 ALA 10 HB1 ALA 10 3.633 -6.989 -0.606
64 HB2 ALA 10 HB2 ALA 10 5.339 -6.566 -0.628
65 HB3 ALA 10 HB3 ALA 10 4.186 -5.606 -1.550
66 H ASN 11 HN ASN 11 6.525 -5.047 -0.391
67 HA ASN 11 HA ASN 11 7.166 -2.657 1.042
68 HB2 ASN 11 HB2 ASN 11 8.726 -4.356 -0.883
69 HB3 ASN 11 HB1 ASN 11 9.329 -2.784 -0.374
70 HD21 ASN 11 HD21 ASN 11 10.015 -2.510 1.698
71 HD22 ASN 11 HD22 ASN 11 10.285 -3.827 2.788
72 H ASN 12 HN ASN 12 5.743 -1.220 0.384
73 HA ASN 12 HA ASN 12 6.319 0.019 -2.192
74 HB2 ASN 12 HB2 ASN 12 4.243 -1.331 -2.356
75 HB3 ASN 12 HB1 ASN 12 3.543 -0.407 -1.033
76 HD21 ASN 12 HD21 ASN 12 2.641 -0.796 -3.796
77 HD22 ASN 12 HD22 ASN 12 2.518 0.791 -4.455
78 HA PRO 13 HA PRO 13 6.940 3.410 0.721
79 HB2 PRO 13 HB2 PRO 13 6.744 5.016 -1.760
80 HB3 PRO 13 HB1 PRO 13 8.028 4.984 -0.546
81 HG2 PRO 13 HG2 PRO 13 8.401 3.852 -2.919
82 HG3 PRO 13 HG1 PRO 13 9.008 3.080 -1.442
83 HD2 PRO 13 HD2 PRO 13 6.588 2.413 -3.069
84 HD3 PRO 13 HD1 PRO 13 7.775 1.340 -2.287
85 H ASP 14 HN ASP 14 4.365 3.139 -1.576
86 HA ASP 14 HA ASP 14 2.884 5.411 -0.661
87 HB2 ASP 14 HB2 ASP 14 2.133 3.108 -2.462
88 HB3 ASP 14 HB1 ASP 14 0.988 4.354 -1.997
89 H LEU 15 HN LEU 15 3.430 2.456 0.724
90 HA LEU 15 HA LEU 15 0.821 2.026 1.808
91 HB2 LEU 15 HB2 LEU 15 2.431 0.190 1.653
92 HB3 LEU 15 HB1 LEU 15 3.504 1.016 2.760
93 HG LEU 15 HG LEU 15 1.842 0.741 4.565
94 HD11 LEU 15 HD11 LEU 15 -0.198 0.694 3.262
95 HD12 LEU 15 HD12 LEU 15 -0.067 -0.766 4.243
96 HD13 LEU 15 HD13 LEU 15 0.289 -0.828 2.517
97 HD21 LEU 15 HD21 LEU 15 3.605 -0.916 4.278
98 HD22 LEU 15 HD22 LEU 15 2.587 -1.819 3.156
99 HD23 LEU 15 HD23 LEU 15 2.119 -1.673 4.850
100 H CYS 16 HN CYS 16 -0.047 3.651 2.922
101 HA CYS 16 HA CYS 16 1.481 4.732 5.181
102 HB2 CYS 16 HB2 CYS 16 -0.679 6.206 3.668
103 HB3 CYS 16 HB1 CYS 16 0.370 6.845 4.905
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 0.994 8.327 -4.955
2 H2 GLY 1 HT2 GLY 1 0.505 6.715 -4.663
3 H3 GLY 1 HT3 GLY 1 1.709 7.403 -3.732
4 HA2 GLY 1 HA1 GLY 1 0.180 8.958 -2.782
5 HA3 GLY 1 HA2 GLY 1 -1.098 8.290 -3.797
6 H CYS 2 HN CYS 2 -0.726 8.408 -0.863
7 HA CYS 2 HA CYS 2 0.040 5.986 0.182
8 HB2 CYS 2 HB2 CYS 2 -1.847 8.055 1.209
9 HB3 CYS 2 HB1 CYS 2 -1.387 6.638 2.140
10 H CYS 3 HN CYS 3 -0.703 4.115 0.170
11 HA CYS 3 HA CYS 3 -3.534 3.593 -0.397
12 HB2 CYS 3 HB2 CYS 3 -1.180 1.705 -0.233
13 HB3 CYS 3 HB1 CYS 3 -2.825 1.234 -0.619
14 H SER 4 HN SER 4 -4.777 3.198 1.365
15 HA SER 4 HA SER 4 -3.483 2.471 3.849
16 HB2 SER 4 HB2 SER 4 -5.884 2.760 4.713
17 HB3 SER 4 HB1 SER 4 -5.052 4.211 4.162
18 HG SER 4 HG SER 4 -6.283 4.313 2.445
19 H ARG 5 HN ARG 5 -4.446 0.834 1.250
20 HA ARG 5 HA ARG 5 -5.253 -1.547 2.711
21 HB2 ARG 5 HB2 ARG 5 -7.232 -1.851 1.289
22 HB3 ARG 5 HB1 ARG 5 -7.337 -0.349 2.190
23 HG2 ARG 5 HG2 ARG 5 -6.543 0.846 0.152
24 HG3 ARG 5 HG1 ARG 5 -6.654 -0.683 -0.722
25 HD2 ARG 5 HD2 ARG 5 -8.658 0.606 -1.100
26 HD3 ARG 5 HD1 ARG 5 -9.045 -0.807 -0.120
27 HE ARG 5 HE ARG 5 -8.631 1.020 1.760
28 HH11 ARG 5 HH11 ARG 5 -10.605 1.173 -1.185
29 HH12 ARG 5 HH12 ARG 5 -11.673 2.339 -0.566
30 HH21 ARG 5 HH21 ARG 5 -10.138 2.599 2.613
31 HH22 ARG 5 HH22 ARG 5 -11.415 3.143 1.636
32 HA PRO 6 HA PRO 6 -2.960 -3.797 -0.480
33 HB2 PRO 6 HB2 PRO 6 -5.461 -5.301 -1.143
34 HB3 PRO 6 HB1 PRO 6 -3.871 -5.926 -0.703
35 HG2 PRO 6 HG2 PRO 6 -5.848 -6.005 1.047
36 HG3 PRO 6 HG1 PRO 6 -4.208 -5.573 1.564
37 HD2 PRO 6 HD2 PRO 6 -6.571 -3.814 1.092
38 HD3 PRO 6 HD1 PRO 6 -5.343 -3.731 2.373
39 HA PRO 7 HA PRO 7 -2.643 -5.221 -2.240
40 HB2 PRO 7 HB2 PRO 7 -1.599 -5.476 -4.672
41 HB3 PRO 7 HB1 PRO 7 -3.271 -5.921 -4.271
42 HG2 PRO 7 HG2 PRO 7 -2.294 -3.601 -5.837
43 HG3 PRO 7 HG1 PRO 7 -3.819 -4.483 -5.963
44 HD2 PRO 7 HD2 PRO 7 -3.300 -2.042 -4.528
45 HD3 PRO 7 HD1 PRO 7 -4.829 -2.929 -4.660
46 H CYS 8 HN CYS 8 -2.094 -2.417 -1.897
47 HA CYS 8 HA CYS 8 0.700 -1.962 -2.683
48 HB2 CYS 8 HB2 CYS 8 -1.043 -0.326 -0.832
49 HB3 CYS 8 HB1 CYS 8 0.454 0.204 -1.574
50 H ILE 9 HN ILE 9 -0.051 -4.143 -0.837
51 HA ILE 9 HA ILE 9 0.650 -3.375 1.852
52 HB ILE 9 HB ILE 9 0.460 -5.817 2.319
53 HG12 ILE 9 HG12 ILE 9 -0.713 -5.876 -0.473
54 HG13 ILE 9 HG11 ILE 9 0.773 -6.663 0.041
55 HG21 ILE 9 HG21 ILE 9 -1.926 -4.309 1.249
56 HG22 ILE 9 HG22 ILE 9 -1.279 -4.252 2.889
57 HG23 ILE 9 HG23 ILE 9 -2.023 -5.732 2.287
58 HD11 ILE 9 HD11 ILE 9 -0.521 -8.113 1.527
59 HD12 ILE 9 HD12 ILE 9 -1.059 -8.248 -0.147
60 HD13 ILE 9 HD13 ILE 9 -2.004 -7.312 1.009
61 H ALA 10 HN ALA 10 2.391 -4.513 -0.782
62 HA ALA 10 HA ALA 10 4.413 -5.918 0.720
63 HB1 ALA 10 HB1 ALA 10 3.919 -6.538 -1.608
64 HB2 ALA 10 HB2 ALA 10 5.607 -6.068 -1.427
65 HB3 ALA 10 HB3 ALA 10 4.459 -4.953 -2.153
66 H ASN 11 HN ASN 11 6.808 -4.947 -0.322
67 HA ASN 11 HA ASN 11 7.188 -2.672 1.327
68 HB2 ASN 11 HB2 ASN 11 9.101 -4.029 -0.577
69 HB3 ASN 11 HB1 ASN 11 9.544 -2.603 0.355
70 HD21 ASN 11 HD21 ASN 11 9.607 -2.787 2.644
71 HD22 ASN 11 HD22 ASN 11 9.849 -4.318 3.397
72 H ASN 12 HN ASN 12 6.005 -1.131 0.716
73 HA ASN 12 HA ASN 12 6.654 0.279 -1.769
74 HB2 ASN 12 HB2 ASN 12 4.589 -0.919 -2.167
75 HB3 ASN 12 HB1 ASN 12 3.919 -0.350 -0.649
76 HD21 ASN 12 HD21 ASN 12 2.188 0.511 -1.650
77 HD22 ASN 12 HD22 ASN 12 2.225 1.929 -2.648
78 HA PRO 13 HA PRO 13 7.056 3.503 1.391
79 HB2 PRO 13 HB2 PRO 13 7.323 5.329 -0.899
80 HB3 PRO 13 HB1 PRO 13 8.470 4.993 0.395
81 HG2 PRO 13 HG2 PRO 13 8.889 4.130 -2.119
82 HG3 PRO 13 HG1 PRO 13 9.400 3.192 -0.707
83 HD2 PRO 13 HD2 PRO 13 7.021 2.804 -2.481
84 HD3 PRO 13 HD1 PRO 13 8.116 1.601 -1.759
85 H ASP 14 HN ASP 14 4.811 3.356 -1.201
86 HA ASP 14 HA ASP 14 3.290 5.641 -0.276
87 HB2 ASP 14 HB2 ASP 14 2.731 3.665 -2.485
88 HB3 ASP 14 HB1 ASP 14 1.605 4.937 -2.031
89 H LEU 15 HN LEU 15 3.600 2.567 0.824
90 HA LEU 15 HA LEU 15 0.838 2.230 1.566
91 HB2 LEU 15 HB2 LEU 15 2.289 0.254 1.297
92 HB3 LEU 15 HB1 LEU 15 3.341 0.845 2.565
93 HG LEU 15 HG LEU 15 1.504 0.562 4.200
94 HD11 LEU 15 HD11 LEU 15 -0.481 -0.728 3.585
95 HD12 LEU 15 HD12 LEU 15 0.015 -0.681 1.893
96 HD13 LEU 15 HD13 LEU 15 -0.408 0.813 2.732
97 HD21 LEU 15 HD21 LEU 15 1.548 -1.894 4.241
98 HD22 LEU 15 HD22 LEU 15 3.137 -1.202 3.925
99 HD23 LEU 15 HD23 LEU 15 2.202 -1.898 2.602
100 H CYS 16 HN CYS 16 0.034 3.692 2.903
101 HA CYS 16 HA CYS 16 1.733 4.644 5.091
102 HB2 CYS 16 HB2 CYS 16 -0.581 6.122 3.829
103 HB3 CYS 16 HB1 CYS 16 0.566 6.729 5.010
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 2.149 7.242 -3.599
2 H2 GLY 1 HT2 GLY 1 2.380 8.739 -2.865
3 H3 GLY 1 HT3 GLY 1 1.785 8.658 -4.449
4 HA2 GLY 1 HA1 GLY 1 0.038 9.152 -2.849
5 HA3 GLY 1 HA2 GLY 1 -0.219 7.621 -3.686
6 H CYS 2 HN CYS 2 -1.593 7.395 -1.679
7 HA CYS 2 HA CYS 2 -0.064 5.826 0.184
8 HB2 CYS 2 HB2 CYS 2 -1.831 8.110 0.932
9 HB3 CYS 2 HB1 CYS 2 -1.548 6.797 2.051
10 H CYS 3 HN CYS 3 -0.900 4.005 0.313
11 HA CYS 3 HA CYS 3 -3.759 3.545 -0.237
12 HB2 CYS 3 HB2 CYS 3 -1.483 1.596 -0.126
13 HB3 CYS 3 HB1 CYS 3 -3.114 1.244 -0.683
14 H SER 4 HN SER 4 -4.943 3.127 1.611
15 HA SER 4 HA SER 4 -3.574 2.178 3.976
16 HB2 SER 4 HB2 SER 4 -5.879 2.540 5.002
17 HB3 SER 4 HB1 SER 4 -5.091 3.990 4.390
18 HG SER 4 HG SER 4 -7.088 4.083 3.634
19 H ARG 5 HN ARG 5 -4.203 0.652 1.432
20 HA ARG 5 HA ARG 5 -5.356 -1.720 2.602
21 HB2 ARG 5 HB2 ARG 5 -7.067 -1.874 0.808
22 HB3 ARG 5 HB1 ARG 5 -7.334 -0.522 1.893
23 HG2 ARG 5 HG2 ARG 5 -6.387 1.004 0.241
24 HG3 ARG 5 HG1 ARG 5 -6.092 -0.354 -0.846
25 HD2 ARG 5 HD2 ARG 5 -8.141 0.867 -1.422
26 HD3 ARG 5 HD1 ARG 5 -8.473 -0.802 -0.965
27 HE ARG 5 HE ARG 5 -8.708 1.274 1.067
28 HH11 ARG 5 HH11 ARG 5 -10.327 -1.012 -1.085
29 HH12 ARG 5 HH12 ARG 5 -11.815 -0.929 -0.257
30 HH21 ARG 5 HH21 ARG 5 -10.734 1.354 2.205
31 HH22 ARG 5 HH22 ARG 5 -12.061 0.450 1.641
32 HA PRO 6 HA PRO 6 -2.797 -3.812 -0.489
33 HB2 PRO 6 HB2 PRO 6 -5.269 -5.263 -1.326
34 HB3 PRO 6 HB1 PRO 6 -3.706 -5.926 -0.826
35 HG2 PRO 6 HG2 PRO 6 -5.780 -6.064 0.799
36 HG3 PRO 6 HG1 PRO 6 -4.177 -5.648 1.434
37 HD2 PRO 6 HD2 PRO 6 -6.500 -3.872 0.843
38 HD3 PRO 6 HD1 PRO 6 -5.384 -3.844 2.226
39 HA PRO 7 HA PRO 7 -2.335 -5.062 -2.269
40 HB2 PRO 7 HB2 PRO 7 -1.211 -5.232 -4.632
41 HB3 PRO 7 HB1 PRO 7 -2.919 -5.654 -4.376
42 HG2 PRO 7 HG2 PRO 7 -1.775 -3.206 -5.646
43 HG3 PRO 7 HG1 PRO 7 -3.221 -4.133 -6.084
44 HD2 PRO 7 HD2 PRO 7 -3.108 -1.806 -4.459
45 HD3 PRO 7 HD1 PRO 7 -4.516 -2.849 -4.732
46 H CYS 8 HN CYS 8 -1.926 -2.233 -1.813
47 HA CYS 8 HA CYS 8 0.899 -1.752 -2.468
48 HB2 CYS 8 HB2 CYS 8 -0.921 -0.131 -0.713
49 HB3 CYS 8 HB1 CYS 8 0.612 0.413 -1.389
50 H ILE 9 HN ILE 9 -0.235 -3.850 -0.513
51 HA ILE 9 HA ILE 9 0.638 -3.060 2.094
52 HB ILE 9 HB ILE 9 0.281 -5.439 2.686
53 HG12 ILE 9 HG12 ILE 9 -0.811 -5.630 -0.135
54 HG13 ILE 9 HG11 ILE 9 0.628 -6.438 0.472
55 HG21 ILE 9 HG21 ILE 9 -2.201 -5.242 2.565
56 HG22 ILE 9 HG22 ILE 9 -2.002 -3.906 1.428
57 HG23 ILE 9 HG23 ILE 9 -1.413 -3.752 3.080
58 HD11 ILE 9 HD11 ILE 9 -0.760 -7.752 1.995
59 HD12 ILE 9 HD12 ILE 9 -1.260 -7.961 0.317
60 HD13 ILE 9 HD13 ILE 9 -2.198 -6.926 1.393
61 H ALA 10 HN ALA 10 2.169 -4.407 -0.537
62 HA ALA 10 HA ALA 10 4.276 -5.808 0.780
63 HB1 ALA 10 HB1 ALA 10 4.179 -4.627 -2.001
64 HB2 ALA 10 HB2 ALA 10 3.686 -6.261 -1.555
65 HB3 ALA 10 HB3 ALA 10 5.377 -5.784 -1.426
66 H ASN 11 HN ASN 11 6.683 -4.880 -0.037
67 HA ASN 11 HA ASN 11 7.003 -2.484 1.493
68 HB2 ASN 11 HB2 ASN 11 9.023 -4.095 -0.093
69 HB3 ASN 11 HB1 ASN 11 9.442 -2.638 0.797
70 HD21 ASN 11 HD21 ASN 11 10.358 -5.360 1.147
71 HD22 ASN 11 HD22 ASN 11 9.982 -5.796 2.776
72 H ASN 12 HN ASN 12 5.832 -1.039 0.524
73 HA ASN 12 HA ASN 12 6.866 0.136 -1.942
74 HB2 ASN 12 HB2 ASN 12 4.842 -1.286 -2.394
75 HB3 ASN 12 HB1 ASN 12 3.947 -0.331 -1.229
76 HD21 ASN 12 HD21 ASN 12 3.439 -0.817 -4.053
77 HD22 ASN 12 HD22 ASN 12 3.389 0.738 -4.789
78 HA PRO 13 HA PRO 13 6.820 3.624 0.894
79 HB2 PRO 13 HB2 PRO 13 6.974 5.613 -0.993
80 HB3 PRO 13 HB1 PRO 13 8.367 4.703 -0.399
81 HG2 PRO 13 HG2 PRO 13 6.769 4.305 -2.899
82 HG3 PRO 13 HG1 PRO 13 8.525 4.233 -2.668
83 HD2 PRO 13 HD2 PRO 13 7.050 2.017 -2.855
84 HD3 PRO 13 HD1 PRO 13 8.447 2.107 -1.759
85 H ASP 14 HN ASP 14 4.510 3.053 -1.594
86 HA ASP 14 HA ASP 14 2.771 5.261 -0.905
87 HB2 ASP 14 HB2 ASP 14 2.231 2.840 -2.637
88 HB3 ASP 14 HB1 ASP 14 1.100 4.159 -2.387
89 H LEU 15 HN LEU 15 3.449 2.396 0.570
90 HA LEU 15 HA LEU 15 0.795 1.978 1.564
91 HB2 LEU 15 HB2 LEU 15 2.393 0.115 1.380
92 HB3 LEU 15 HB1 LEU 15 3.439 0.903 2.542
93 HG LEU 15 HG LEU 15 1.718 0.635 4.277
94 HD11 LEU 15 HD11 LEU 15 -0.217 -0.822 3.858
95 HD12 LEU 15 HD12 LEU 15 0.183 -0.840 2.138
96 HD13 LEU 15 HD13 LEU 15 -0.286 0.669 2.921
97 HD21 LEU 15 HD21 LEU 15 3.424 -1.052 4.045
98 HD22 LEU 15 HD22 LEU 15 2.471 -1.885 2.819
99 HD23 LEU 15 HD23 LEU 15 1.891 -1.810 4.483
100 H CYS 16 HN CYS 16 -0.031 3.473 2.806
101 HA CYS 16 HA CYS 16 1.645 4.591 4.925
102 HB2 CYS 16 HB2 CYS 16 -0.670 5.955 3.531
103 HB3 CYS 16 HB1 CYS 16 0.323 6.653 4.798
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 1.505 7.252 -3.891
2 H2 GLY 1 HT2 GLY 1 0.919 8.339 -5.049
3 H3 GLY 1 HT3 GLY 1 0.272 6.788 -4.939
4 HA2 GLY 1 HA1 GLY 1 0.031 8.931 -2.919
5 HA3 GLY 1 HA2 GLY 1 -1.253 8.276 -3.938
6 H CYS 2 HN CYS 2 -0.741 8.351 -0.951
7 HA CYS 2 HA CYS 2 0.068 5.912 0.012
8 HB2 CYS 2 HB2 CYS 2 -1.655 8.033 1.210
9 HB3 CYS 2 HB1 CYS 2 -1.253 6.560 2.078
10 H CYS 3 HN CYS 3 -0.690 4.064 0.270
11 HA CYS 3 HA CYS 3 -3.524 3.492 -0.229
12 HB2 CYS 3 HB2 CYS 3 -1.181 1.629 -0.096
13 HB3 CYS 3 HB1 CYS 3 -2.779 1.246 -0.722
14 H SER 4 HN SER 4 -4.599 3.113 1.729
15 HA SER 4 HA SER 4 -3.052 2.199 3.994
16 HB2 SER 4 HB2 SER 4 -5.408 2.464 5.093
17 HB3 SER 4 HB1 SER 4 -4.507 3.912 4.639
18 HG SER 4 HG SER 4 -5.971 4.391 3.297
19 H ARG 5 HN ARG 5 -4.305 0.891 1.423
20 HA ARG 5 HA ARG 5 -5.178 -1.622 2.621
21 HB2 ARG 5 HB2 ARG 5 -7.011 -1.639 0.898
22 HB3 ARG 5 HB1 ARG 5 -7.206 -0.399 2.130
23 HG2 ARG 5 HG2 ARG 5 -6.251 1.256 0.547
24 HG3 ARG 5 HG1 ARG 5 -6.187 -0.017 -0.671
25 HD2 ARG 5 HD2 ARG 5 -8.711 0.810 0.718
26 HD3 ARG 5 HD1 ARG 5 -8.176 1.542 -0.794
27 HE ARG 5 HE ARG 5 -8.236 -1.239 -1.113
28 HH11 ARG 5 HH11 ARG 5 -10.580 1.348 -0.519
29 HH12 ARG 5 HH12 ARG 5 -11.803 0.629 -1.464
30 HH21 ARG 5 HH21 ARG 5 -9.895 -2.198 -2.381
31 HH22 ARG 5 HH22 ARG 5 -11.422 -1.454 -2.540
32 HA PRO 6 HA PRO 6 -2.785 -3.632 -0.707
33 HB2 PRO 6 HB2 PRO 6 -5.403 -4.742 -1.656
34 HB3 PRO 6 HB1 PRO 6 -3.881 -5.587 -1.351
35 HG2 PRO 6 HG2 PRO 6 -5.873 -5.785 0.368
36 HG3 PRO 6 HG1 PRO 6 -4.206 -5.611 0.944
37 HD2 PRO 6 HD2 PRO 6 -6.404 -3.608 0.874
38 HD3 PRO 6 HD1 PRO 6 -5.110 -3.828 2.064
39 HA PRO 7 HA PRO 7 -2.394 -4.713 -2.615
40 HB2 PRO 7 HB2 PRO 7 -1.337 -4.738 -5.039
41 HB3 PRO 7 HB1 PRO 7 -3.056 -5.071 -4.738
42 HG2 PRO 7 HG2 PRO 7 -1.812 -2.651 -5.934
43 HG3 PRO 7 HG1 PRO 7 -3.402 -3.364 -6.237
44 HD2 PRO 7 HD2 PRO 7 -2.717 -1.225 -4.429
45 HD3 PRO 7 HD1 PRO 7 -4.321 -1.913 -4.753
46 H CYS 8 HN CYS 8 -1.689 -2.008 -1.907
47 HA CYS 8 HA CYS 8 1.187 -1.782 -2.542
48 HB2 CYS 8 HB2 CYS 8 -0.451 -0.011 -0.753
49 HB3 CYS 8 HB1 CYS 8 1.082 0.394 -1.519
50 H ILE 9 HN ILE 9 -0.015 -3.903 -0.739
51 HA ILE 9 HA ILE 9 0.584 -3.120 1.959
52 HB ILE 9 HB ILE 9 0.079 -5.508 2.517
53 HG12 ILE 9 HG12 ILE 9 -0.927 -5.550 -0.339
54 HG13 ILE 9 HG11 ILE 9 0.447 -6.456 0.275
55 HG21 ILE 9 HG21 ILE 9 -2.023 -3.775 1.210
56 HG22 ILE 9 HG22 ILE 9 -1.500 -3.703 2.889
57 HG23 ILE 9 HG23 ILE 9 -2.370 -5.118 2.295
58 HD11 ILE 9 HD11 ILE 9 -1.048 -7.726 1.731
59 HD12 ILE 9 HD12 ILE 9 -1.529 -7.862 0.040
60 HD13 ILE 9 HD13 ILE 9 -2.422 -6.801 1.128
61 H ALA 10 HN ALA 10 2.398 -4.604 -0.445
62 HA ALA 10 HA ALA 10 4.266 -5.827 1.408
63 HB1 ALA 10 HB1 ALA 10 4.499 -5.406 -1.582
64 HB2 ALA 10 HB2 ALA 10 3.864 -6.853 -0.800
65 HB3 ALA 10 HB3 ALA 10 5.556 -6.411 -0.593
66 H ASN 11 HN ASN 11 6.675 -5.013 -0.033
67 HA ASN 11 HA ASN 11 7.190 -2.574 1.350
68 HB2 ASN 11 HB2 ASN 11 8.901 -4.087 -0.634
69 HB3 ASN 11 HB1 ASN 11 9.438 -2.658 0.241
70 HD21 ASN 11 HD21 ASN 11 9.869 -2.818 2.431
71 HD22 ASN 11 HD22 ASN 11 10.007 -4.354 3.216
72 H ASN 12 HN ASN 12 5.739 -1.166 0.543
73 HA ASN 12 HA ASN 12 6.507 0.083 -1.977
74 HB2 ASN 12 HB2 ASN 12 4.391 -1.291 -2.284
75 HB3 ASN 12 HB1 ASN 12 3.642 -0.308 -1.041
76 HD21 ASN 12 HD21 ASN 12 2.904 -0.667 -3.874
77 HD22 ASN 12 HD22 ASN 12 2.898 0.906 -4.547
78 HA PRO 13 HA PRO 13 6.909 3.390 1.074
79 HB2 PRO 13 HB2 PRO 13 6.825 5.040 -1.393
80 HB3 PRO 13 HB1 PRO 13 8.000 5.049 -0.076
81 HG2 PRO 13 HG2 PRO 13 8.592 3.962 -2.414
82 HG3 PRO 13 HG1 PRO 13 9.139 3.219 -0.898
83 HD2 PRO 13 HD2 PRO 13 6.933 2.388 -2.737
84 HD3 PRO 13 HD1 PRO 13 8.063 1.396 -1.788
85 H ASP 14 HN ASP 14 4.475 3.135 -1.381
86 HA ASP 14 HA ASP 14 2.961 5.372 -0.440
87 HB2 ASP 14 HB2 ASP 14 2.243 3.193 -2.387
88 HB3 ASP 14 HB1 ASP 14 1.116 4.450 -1.900
89 H LEU 15 HN LEU 15 3.369 2.294 0.740
90 HA LEU 15 HA LEU 15 0.696 1.975 1.724
91 HB2 LEU 15 HB2 LEU 15 2.221 0.044 1.490
92 HB3 LEU 15 HB1 LEU 15 3.256 0.721 2.728
93 HG LEU 15 HG LEU 15 1.399 0.478 4.363
94 HD11 LEU 15 HD11 LEU 15 -0.495 -0.964 3.792
95 HD12 LEU 15 HD12 LEU 15 0.016 -0.951 2.103
96 HD13 LEU 15 HD13 LEU 15 -0.497 0.545 2.883
97 HD21 LEU 15 HD21 LEU 15 1.573 -1.958 4.570
98 HD22 LEU 15 HD22 LEU 15 3.130 -1.212 4.215
99 HD23 LEU 15 HD23 LEU 15 2.241 -2.043 2.940
100 H CYS 16 HN CYS 16 -0.082 3.492 2.971
101 HA CYS 16 HA CYS 16 1.542 4.455 5.214
102 HB2 CYS 16 HB2 CYS 16 -0.557 6.075 3.750
103 HB3 CYS 16 HB1 CYS 16 0.543 6.636 4.986
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -0.393 6.523 -4.494
2 H2 GLY 1 HT2 GLY 1 1.008 7.165 -3.818
3 H3 GLY 1 HT3 GLY 1 0.154 8.061 -4.977
4 HA2 GLY 1 HA1 GLY 1 -0.214 8.899 -2.739
5 HA3 GLY 1 HA2 GLY 1 -1.701 8.240 -3.416
6 H CYS 2 HN CYS 2 -1.013 8.512 -0.604
7 HA CYS 2 HA CYS 2 -0.040 6.201 0.534
8 HB2 CYS 2 HB2 CYS 2 -1.966 8.227 1.547
9 HB3 CYS 2 HB1 CYS 2 -1.465 6.876 2.542
10 H CYS 3 HN CYS 3 -0.634 4.324 0.472
11 HA CYS 3 HA CYS 3 -3.382 3.573 -0.152
12 HB2 CYS 3 HB2 CYS 3 -0.932 1.864 0.159
13 HB3 CYS 3 HB1 CYS 3 -2.504 1.317 -0.393
14 H SER 4 HN SER 4 -4.714 3.168 1.526
15 HA SER 4 HA SER 4 -3.710 2.015 3.978
16 HB2 SER 4 HB2 SER 4 -6.237 2.138 4.509
17 HB3 SER 4 HB1 SER 4 -5.367 3.664 4.357
18 HG SER 4 HG SER 4 -6.472 4.139 2.677
19 H ARG 5 HN ARG 5 -4.533 1.034 0.973
20 HA ARG 5 HA ARG 5 -5.476 -1.578 1.848
21 HB2 ARG 5 HB2 ARG 5 -6.800 -1.480 -0.444
22 HB3 ARG 5 HB1 ARG 5 -7.488 -0.877 1.050
23 HG2 ARG 5 HG2 ARG 5 -7.951 0.646 -0.795
24 HG3 ARG 5 HG1 ARG 5 -6.915 1.412 0.395
25 HD2 ARG 5 HD2 ARG 5 -6.168 2.011 -1.807
26 HD3 ARG 5 HD1 ARG 5 -4.971 0.956 -1.075
27 HE ARG 5 HE ARG 5 -6.485 -0.756 -2.490
28 HH11 ARG 5 HH11 ARG 5 -4.890 2.304 -3.404
29 HH12 ARG 5 HH12 ARG 5 -4.617 1.855 -5.007
30 HH21 ARG 5 HH21 ARG 5 -6.067 -1.374 -4.710
31 HH22 ARG 5 HH22 ARG 5 -5.309 -0.274 -5.771
32 HA PRO 6 HA PRO 6 -2.554 -3.683 -0.834
33 HB2 PRO 6 HB2 PRO 6 -4.842 -5.180 -1.999
34 HB3 PRO 6 HB1 PRO 6 -3.394 -5.795 -1.199
35 HG2 PRO 6 HG2 PRO 6 -5.735 -5.877 0.028
36 HG3 PRO 6 HG1 PRO 6 -4.254 -5.474 0.912
37 HD2 PRO 6 HD2 PRO 6 -6.417 -3.663 -0.071
38 HD3 PRO 6 HD1 PRO 6 -5.528 -3.632 1.467
39 HA PRO 7 HA PRO 7 -1.779 -4.994 -2.485
40 HB2 PRO 7 HB2 PRO 7 -0.214 -5.101 -4.594
41 HB3 PRO 7 HB1 PRO 7 -1.932 -5.563 -4.659
42 HG2 PRO 7 HG2 PRO 7 -0.637 -3.060 -5.648
43 HG3 PRO 7 HG1 PRO 7 -1.919 -4.023 -6.402
44 HD2 PRO 7 HD2 PRO 7 -2.253 -1.732 -4.768
45 HD3 PRO 7 HD1 PRO 7 -3.527 -2.841 -5.304
46 H CYS 8 HN CYS 8 -1.538 -2.216 -1.828
47 HA CYS 8 HA CYS 8 1.312 -1.613 -2.006
48 HB2 CYS 8 HB2 CYS 8 -0.795 -0.132 -0.451
49 HB3 CYS 8 HB1 CYS 8 0.799 0.464 -0.894
50 H ILE 9 HN ILE 9 -0.236 -3.793 -0.156
51 HA ILE 9 HA ILE 9 0.467 -2.971 2.507
52 HB ILE 9 HB ILE 9 -0.399 -5.704 1.479
53 HG12 ILE 9 HG12 ILE 9 -2.116 -4.024 1.104
54 HG13 ILE 9 HG11 ILE 9 -2.607 -5.132 2.377
55 HG21 ILE 9 HG21 ILE 9 -0.957 -6.269 3.779
56 HG22 ILE 9 HG22 ILE 9 -0.319 -4.722 4.320
57 HG23 ILE 9 HG23 ILE 9 0.766 -5.920 3.608
58 HD11 ILE 9 HD11 ILE 9 -2.017 -3.447 4.052
59 HD12 ILE 9 HD12 ILE 9 -3.217 -2.847 2.907
60 HD13 ILE 9 HD13 ILE 9 -1.538 -2.338 2.765
61 H ALA 10 HN ALA 10 1.960 -4.692 -0.016
62 HA ALA 10 HA ALA 10 4.035 -5.966 1.504
63 HB1 ALA 10 HB1 ALA 10 3.242 -6.846 -0.639
64 HB2 ALA 10 HB2 ALA 10 4.965 -6.485 -0.711
65 HB3 ALA 10 HB3 ALA 10 3.801 -5.386 -1.449
66 H ASN 11 HN ASN 11 6.277 -5.247 -0.219
67 HA ASN 11 HA ASN 11 7.159 -2.869 1.098
68 HB2 ASN 11 HB2 ASN 11 8.467 -4.412 -1.177
69 HB3 ASN 11 HB1 ASN 11 9.199 -3.051 -0.354
70 HD21 ASN 11 HD21 ASN 11 10.950 -4.344 0.263
71 HD22 ASN 11 HD22 ASN 11 10.814 -5.509 1.521
72 H ASN 12 HN ASN 12 5.729 -1.347 0.526
73 HA ASN 12 HA ASN 12 6.061 -0.285 -2.170
74 HB2 ASN 12 HB2 ASN 12 3.911 -1.394 -2.118
75 HB3 ASN 12 HB1 ASN 12 3.477 -0.568 -0.629
76 HD21 ASN 12 HD21 ASN 12 3.938 -0.219 -4.066
77 HD22 ASN 12 HD22 ASN 12 3.110 1.281 -4.188
78 HA PRO 13 HA PRO 13 7.245 3.284 0.268
79 HB2 PRO 13 HB2 PRO 13 6.816 4.852 -2.183
80 HB3 PRO 13 HB1 PRO 13 8.300 4.600 -1.262
81 HG2 PRO 13 HG2 PRO 13 7.929 3.474 -3.663
82 HG3 PRO 13 HG1 PRO 13 8.810 2.650 -2.368
83 HD2 PRO 13 HD2 PRO 13 6.003 2.231 -3.315
84 HD3 PRO 13 HD1 PRO 13 7.243 1.047 -2.835
85 H ASP 14 HN ASP 14 4.297 3.160 -1.539
86 HA ASP 14 HA ASP 14 3.292 5.643 -0.381
87 HB2 ASP 14 HB2 ASP 14 2.181 3.811 -2.495
88 HB3 ASP 14 HB1 ASP 14 1.255 5.137 -1.804
89 H LEU 15 HN LEU 15 3.485 2.561 0.568
90 HA LEU 15 HA LEU 15 0.935 2.262 1.766
91 HB2 LEU 15 HB2 LEU 15 2.442 0.367 1.458
92 HB3 LEU 15 HB1 LEU 15 3.612 1.104 2.534
93 HG LEU 15 HG LEU 15 1.993 0.888 4.392
94 HD11 LEU 15 HD11 LEU 15 -0.080 0.884 3.143
95 HD12 LEU 15 HD12 LEU 15 0.051 -0.578 4.125
96 HD13 LEU 15 HD13 LEU 15 0.357 -0.649 2.391
97 HD21 LEU 15 HD21 LEU 15 2.260 -1.493 4.683
98 HD22 LEU 15 HD22 LEU 15 3.726 -0.786 3.996
99 HD23 LEU 15 HD23 LEU 15 2.611 -1.687 2.967
100 H CYS 16 HN CYS 16 0.213 3.784 3.084
101 HA CYS 16 HA CYS 16 2.096 4.861 5.056
102 HB2 CYS 16 HB2 CYS 16 -0.442 6.119 3.988
103 HB3 CYS 16 HB1 CYS 16 0.606 6.844 5.198
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -0.028 6.618 -4.554
2 H2 GLY 1 HT2 GLY 1 1.411 7.046 -3.816
3 H3 GLY 1 HT3 GLY 1 0.708 8.079 -4.983
4 HA2 GLY 1 HA1 GLY 1 0.324 8.911 -2.739
5 HA3 GLY 1 HA2 GLY 1 -1.184 8.415 -3.511
6 H CYS 2 HN CYS 2 -0.902 8.537 -0.729
7 HA CYS 2 HA CYS 2 -0.050 6.194 0.457
8 HB2 CYS 2 HB2 CYS 2 -2.006 8.262 1.300
9 HB3 CYS 2 HB1 CYS 2 -1.671 6.880 2.317
10 H CYS 3 HN CYS 3 -0.678 4.314 0.403
11 HA CYS 3 HA CYS 3 -3.399 3.606 -0.394
12 HB2 CYS 3 HB2 CYS 3 -0.973 1.885 0.018
13 HB3 CYS 3 HB1 CYS 3 -2.515 1.337 -0.621
14 H SER 4 HN SER 4 -4.765 3.136 1.245
15 HA SER 4 HA SER 4 -3.761 2.384 3.836
16 HB2 SER 4 HB2 SER 4 -6.289 2.548 4.298
17 HB3 SER 4 HB1 SER 4 -5.417 4.036 3.911
18 HG SER 4 HG SER 4 -7.465 2.927 2.618
19 H ARG 5 HN ARG 5 -4.481 0.849 1.013
20 HA ARG 5 HA ARG 5 -5.309 -1.627 2.321
21 HB2 ARG 5 HB2 ARG 5 -7.048 -1.954 0.569
22 HB3 ARG 5 HB1 ARG 5 -7.365 -0.556 1.582
23 HG2 ARG 5 HG2 ARG 5 -6.459 0.902 -0.172
24 HG3 ARG 5 HG1 ARG 5 -6.195 -0.512 -1.191
25 HD2 ARG 5 HD2 ARG 5 -8.860 0.418 -0.130
26 HD3 ARG 5 HD1 ARG 5 -8.261 0.692 -1.761
27 HE ARG 5 HE ARG 5 -8.332 -2.078 -0.991
28 HH11 ARG 5 HH11 ARG 5 -10.249 0.572 -2.367
29 HH12 ARG 5 HH12 ARG 5 -11.316 -0.449 -3.196
30 HH21 ARG 5 HH21 ARG 5 -9.802 -3.470 -2.125
31 HH22 ARG 5 HH22 ARG 5 -11.044 -2.809 -3.083
32 HA PRO 6 HA PRO 6 -2.636 -3.873 -0.584
33 HB2 PRO 6 HB2 PRO 6 -5.168 -5.135 -1.571
34 HB3 PRO 6 HB1 PRO 6 -3.639 -5.901 -1.124
35 HG2 PRO 6 HG2 PRO 6 -5.679 -6.013 0.538
36 HG3 PRO 6 HG1 PRO 6 -4.046 -5.691 1.151
37 HD2 PRO 6 HD2 PRO 6 -6.329 -3.826 0.782
38 HD3 PRO 6 HD1 PRO 6 -5.087 -3.857 2.045
39 HA PRO 7 HA PRO 7 -1.895 -4.988 -2.249
40 HB2 PRO 7 HB2 PRO 7 -0.550 -5.168 -4.489
41 HB3 PRO 7 HB1 PRO 7 -2.282 -5.570 -4.413
42 HG2 PRO 7 HG2 PRO 7 -0.990 -3.111 -5.524
43 HG3 PRO 7 HG1 PRO 7 -2.358 -4.038 -6.163
44 HD2 PRO 7 HD2 PRO 7 -2.480 -1.737 -4.498
45 HD3 PRO 7 HD1 PRO 7 -3.834 -2.790 -4.960
46 H CYS 8 HN CYS 8 -1.601 -2.163 -1.720
47 HA CYS 8 HA CYS 8 1.254 -1.646 -2.147
48 HB2 CYS 8 HB2 CYS 8 -0.719 -0.015 -0.574
49 HB3 CYS 8 HB1 CYS 8 0.899 0.500 -1.035
50 H ILE 9 HN ILE 9 -0.298 -3.571 -0.112
51 HA ILE 9 HA ILE 9 0.778 -2.882 2.434
52 HB ILE 9 HB ILE 9 0.177 -5.211 3.081
53 HG12 ILE 9 HG12 ILE 9 -0.971 -5.386 0.283
54 HG13 ILE 9 HG11 ILE 9 0.482 -6.218 0.819
55 HG21 ILE 9 HG21 ILE 9 -1.389 -3.383 3.405
56 HG22 ILE 9 HG22 ILE 9 -2.267 -4.839 2.938
57 HG23 ILE 9 HG23 ILE 9 -1.981 -3.565 1.754
58 HD11 ILE 9 HD11 ILE 9 -0.827 -7.496 2.412
59 HD12 ILE 9 HD12 ILE 9 -1.474 -7.679 0.779
60 HD13 ILE 9 HD13 ILE 9 -2.274 -6.613 1.936
61 H ALA 10 HN ALA 10 1.937 -4.576 -0.274
62 HA ALA 10 HA ALA 10 4.095 -5.939 0.983
63 HB1 ALA 10 HB1 ALA 10 3.189 -6.639 -1.183
64 HB2 ALA 10 HB2 ALA 10 4.907 -6.276 -1.300
65 HB3 ALA 10 HB3 ALA 10 3.718 -5.116 -1.899
66 H ASN 11 HN ASN 11 6.360 -5.191 -0.480
67 HA ASN 11 HA ASN 11 7.090 -2.882 1.017
68 HB2 ASN 11 HB2 ASN 11 8.698 -4.418 -1.047
69 HB3 ASN 11 HB1 ASN 11 9.336 -3.121 -0.046
70 HD21 ASN 11 HD21 ASN 11 9.701 -3.497 2.139
71 HD22 ASN 11 HD22 ASN 11 9.682 -5.073 2.821
72 H ASN 12 HN ASN 12 5.760 -1.351 0.300
73 HA ASN 12 HA ASN 12 6.449 -0.066 -2.244
74 HB2 ASN 12 HB2 ASN 12 4.328 -1.365 -2.481
75 HB3 ASN 12 HB1 ASN 12 3.664 -0.517 -1.100
76 HD21 ASN 12 HD21 ASN 12 2.728 -0.735 -3.850
77 HD22 ASN 12 HD22 ASN 12 2.552 0.879 -4.429
78 HA PRO 13 HA PRO 13 7.092 3.240 0.709
79 HB2 PRO 13 HB2 PRO 13 7.263 5.314 -1.038
80 HB3 PRO 13 HB1 PRO 13 8.565 4.142 -0.805
81 HG2 PRO 13 HG2 PRO 13 6.441 4.215 -2.915
82 HG3 PRO 13 HG1 PRO 13 8.184 3.952 -3.112
83 HD2 PRO 13 HD2 PRO 13 6.461 1.913 -3.118
84 HD3 PRO 13 HD1 PRO 13 8.054 1.752 -2.348
85 H ASP 14 HN ASP 14 4.409 3.029 -1.376
86 HA ASP 14 HA ASP 14 3.108 5.456 -0.460
87 HB2 ASP 14 HB2 ASP 14 2.138 3.234 -2.248
88 HB3 ASP 14 HB1 ASP 14 1.181 4.640 -1.817
89 H LEU 15 HN LEU 15 3.552 2.518 0.899
90 HA LEU 15 HA LEU 15 0.921 2.070 1.885
91 HB2 LEU 15 HB2 LEU 15 2.596 0.270 1.727
92 HB3 LEU 15 HB1 LEU 15 3.557 1.064 2.955
93 HG LEU 15 HG LEU 15 1.704 0.734 4.571
94 HD11 LEU 15 HD11 LEU 15 -0.166 0.623 3.071
95 HD12 LEU 15 HD12 LEU 15 -0.075 -0.880 3.993
96 HD13 LEU 15 HD13 LEU 15 0.477 -0.831 2.320
97 HD21 LEU 15 HD21 LEU 15 2.736 -1.766 3.239
98 HD22 LEU 15 HD22 LEU 15 2.056 -1.670 4.863
99 HD23 LEU 15 HD23 LEU 15 3.563 -0.834 4.487
100 H CYS 16 HN CYS 16 0.030 3.650 2.999
101 HA CYS 16 HA CYS 16 1.506 4.772 5.275
102 HB2 CYS 16 HB2 CYS 16 -0.799 5.980 3.750
103 HB3 CYS 16 HB1 CYS 16 0.062 6.734 5.081
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 1.236 7.210 -3.943
2 H2 GLY 1 HT2 GLY 1 0.478 8.171 -5.130
3 H3 GLY 1 HT3 GLY 1 -0.109 6.619 -4.761
4 HA2 GLY 1 HA1 GLY 1 -0.059 8.906 -2.915
5 HA3 GLY 1 HA2 GLY 1 -1.491 8.251 -3.714
6 H CYS 2 HN CYS 2 -0.825 8.449 -0.855
7 HA CYS 2 HA CYS 2 0.030 6.019 0.146
8 HB2 CYS 2 HB2 CYS 2 -1.658 8.161 1.360
9 HB3 CYS 2 HB1 CYS 2 -1.208 6.715 2.241
10 H CYS 3 HN CYS 3 -0.734 4.178 0.296
11 HA CYS 3 HA CYS 3 -3.578 3.634 -0.242
12 HB2 CYS 3 HB2 CYS 3 -1.262 1.746 -0.068
13 HB3 CYS 3 HB1 CYS 3 -2.867 1.368 -0.670
14 H SER 4 HN SER 4 -4.755 3.212 1.607
15 HA SER 4 HA SER 4 -3.372 2.101 3.873
16 HB2 SER 4 HB2 SER 4 -5.788 2.382 4.849
17 HB3 SER 4 HB1 SER 4 -4.776 3.806 4.602
18 HG SER 4 HG SER 4 -6.297 4.497 3.404
19 H ARG 5 HN ARG 5 -4.372 0.852 1.153
20 HA ARG 5 HA ARG 5 -5.330 -1.666 2.319
21 HB2 ARG 5 HB2 ARG 5 -7.028 -1.881 0.567
22 HB3 ARG 5 HB1 ARG 5 -7.306 -0.403 1.470
23 HG2 ARG 5 HG2 ARG 5 -6.245 0.878 -0.323
24 HG3 ARG 5 HG1 ARG 5 -5.973 -0.616 -1.209
25 HD2 ARG 5 HD2 ARG 5 -8.677 0.431 -0.402
26 HD3 ARG 5 HD1 ARG 5 -7.961 0.643 -1.995
27 HE ARG 5 HE ARG 5 -7.977 -2.085 -1.407
28 HH11 ARG 5 HH11 ARG 5 -10.327 0.488 -1.964
29 HH12 ARG 5 HH12 ARG 5 -11.490 -0.527 -2.676
30 HH21 ARG 5 HH21 ARG 5 -9.599 -3.489 -2.368
31 HH22 ARG 5 HH22 ARG 5 -11.074 -2.820 -2.908
32 HA PRO 6 HA PRO 6 -2.634 -3.753 -0.723
33 HB2 PRO 6 HB2 PRO 6 -5.114 -5.084 -1.731
34 HB3 PRO 6 HB1 PRO 6 -3.576 -5.804 -1.241
35 HG2 PRO 6 HG2 PRO 6 -5.693 -5.978 0.337
36 HG3 PRO 6 HG1 PRO 6 -4.080 -5.685 1.012
37 HD2 PRO 6 HD2 PRO 6 -6.349 -3.794 0.634
38 HD3 PRO 6 HD1 PRO 6 -5.143 -3.873 1.932
39 HA PRO 7 HA PRO 7 -2.027 -4.925 -2.481
40 HB2 PRO 7 HB2 PRO 7 -0.712 -4.999 -4.744
41 HB3 PRO 7 HB1 PRO 7 -2.450 -5.376 -4.677
42 HG2 PRO 7 HG2 PRO 7 -1.128 -2.854 -5.604
43 HG3 PRO 7 HG1 PRO 7 -2.484 -3.729 -6.335
44 HD2 PRO 7 HD2 PRO 7 -2.656 -1.546 -4.566
45 HD3 PRO 7 HD1 PRO 7 -3.985 -2.624 -5.033
46 H CYS 8 HN CYS 8 -1.669 -2.138 -1.834
47 HA CYS 8 HA CYS 8 1.173 -1.601 -2.232
48 HB2 CYS 8 HB2 CYS 8 -0.817 -0.054 -0.606
49 HB3 CYS 8 HB1 CYS 8 0.757 0.526 -1.148
50 H ILE 9 HN ILE 9 -0.190 -3.770 -0.284
51 HA ILE 9 HA ILE 9 0.720 -2.882 2.316
52 HB ILE 9 HB ILE 9 -0.348 -5.625 1.497
53 HG12 ILE 9 HG12 ILE 9 -2.008 -3.836 1.160
54 HG13 ILE 9 HG11 ILE 9 -2.480 -4.935 2.445
55 HG21 ILE 9 HG21 ILE 9 -0.065 -4.460 4.262
56 HG22 ILE 9 HG22 ILE 9 0.971 -5.695 3.559
57 HG23 ILE 9 HG23 ILE 9 -0.731 -6.045 3.852
58 HD11 ILE 9 HD11 ILE 9 -1.736 -3.270 4.096
59 HD12 ILE 9 HD12 ILE 9 -2.997 -2.654 3.030
60 HD13 ILE 9 HD13 ILE 9 -1.321 -2.175 2.776
61 H ALA 10 HN ALA 10 2.025 -4.533 -0.324
62 HA ALA 10 HA ALA 10 4.103 -5.996 1.009
63 HB1 ALA 10 HB1 ALA 10 3.903 -5.030 -1.852
64 HB2 ALA 10 HB2 ALA 10 3.322 -6.579 -1.243
65 HB3 ALA 10 HB3 ALA 10 5.048 -6.232 -1.253
66 H ASN 11 HN ASN 11 6.456 -5.172 -0.369
67 HA ASN 11 HA ASN 11 7.162 -2.850 1.120
68 HB2 ASN 11 HB2 ASN 11 8.701 -4.365 -1.010
69 HB3 ASN 11 HB1 ASN 11 9.329 -2.928 -0.227
70 HD21 ASN 11 HD21 ASN 11 11.063 -4.020 0.637
71 HD22 ASN 11 HD22 ASN 11 10.917 -5.124 1.937
72 H ASN 12 HN ASN 12 5.748 -1.335 0.490
73 HA ASN 12 HA ASN 12 6.349 -0.040 -2.057
74 HB2 ASN 12 HB2 ASN 12 4.224 -1.350 -2.267
75 HB3 ASN 12 HB1 ASN 12 3.575 -0.497 -0.880
76 HD21 ASN 12 HD21 ASN 12 2.585 -0.685 -3.682
77 HD22 ASN 12 HD22 ASN 12 2.443 0.947 -4.186
78 HA PRO 13 HA PRO 13 7.003 3.207 0.987
79 HB2 PRO 13 HB2 PRO 13 7.444 5.229 -0.780
80 HB3 PRO 13 HB1 PRO 13 8.661 4.006 -0.388
81 HG2 PRO 13 HG2 PRO 13 6.794 4.150 -2.718
82 HG3 PRO 13 HG1 PRO 13 8.521 3.745 -2.700
83 HD2 PRO 13 HD2 PRO 13 6.622 1.858 -2.860
84 HD3 PRO 13 HD1 PRO 13 8.124 1.585 -1.957
85 H ASP 14 HN ASP 14 4.471 3.090 -1.293
86 HA ASP 14 HA ASP 14 3.205 5.513 -0.326
87 HB2 ASP 14 HB2 ASP 14 2.426 3.538 -2.467
88 HB3 ASP 14 HB1 ASP 14 1.320 4.781 -1.902
89 H LEU 15 HN LEU 15 3.502 2.464 0.786
90 HA LEU 15 HA LEU 15 0.851 2.099 1.781
91 HB2 LEU 15 HB2 LEU 15 2.374 0.217 1.549
92 HB3 LEU 15 HB1 LEU 15 3.498 0.956 2.666
93 HG LEU 15 HG LEU 15 1.846 0.703 4.476
94 HD11 LEU 15 HD11 LEU 15 0.227 -0.723 2.379
95 HD12 LEU 15 HD12 LEU 15 -0.205 0.774 3.211
96 HD13 LEU 15 HD13 LEU 15 -0.111 -0.742 4.109
97 HD21 LEU 15 HD21 LEU 15 2.509 -1.824 2.976
98 HD22 LEU 15 HD22 LEU 15 2.029 -1.731 4.670
99 HD23 LEU 15 HD23 LEU 15 3.541 -0.992 4.140
100 H CYS 16 HN CYS 16 0.071 3.658 3.042
101 HA CYS 16 HA CYS 16 1.820 4.658 5.164
102 HB2 CYS 16 HB2 CYS 16 -0.446 6.154 3.842
103 HB3 CYS 16 HB1 CYS 16 0.656 6.783 5.049
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 1.285 6.730 -4.343
2 H2 GLY 1 HT2 GLY 1 0.358 7.591 -5.486
3 H3 GLY 1 HT3 GLY 1 -0.153 6.064 -4.910
4 HA2 GLY 1 HA1 GLY 1 0.139 8.460 -3.236
5 HA3 GLY 1 HA2 GLY 1 -1.390 7.820 -3.846
6 H CYS 2 HN CYS 2 -0.792 8.095 -1.142
7 HA CYS 2 HA CYS 2 0.195 5.741 -0.015
8 HB2 CYS 2 HB2 CYS 2 -1.483 7.949 1.066
9 HB3 CYS 2 HB1 CYS 2 -1.046 6.560 2.039
10 H CYS 3 HN CYS 3 -0.585 3.897 0.250
11 HA CYS 3 HA CYS 3 -3.460 3.337 -0.085
12 HB2 CYS 3 HB2 CYS 3 -1.138 1.416 0.058
13 HB3 CYS 3 HB1 CYS 3 -2.760 1.072 -0.516
14 H SER 4 HN SER 4 -4.486 3.119 1.893
15 HA SER 4 HA SER 4 -3.003 2.209 4.202
16 HB2 SER 4 HB2 SER 4 -5.288 2.678 5.269
17 HB3 SER 4 HB1 SER 4 -4.418 4.068 4.614
18 HG SER 4 HG SER 4 -6.792 3.471 4.082
19 H ARG 5 HN ARG 5 -4.100 0.690 1.668
20 HA ARG 5 HA ARG 5 -5.063 -1.699 2.930
21 HB2 ARG 5 HB2 ARG 5 -7.232 -1.736 1.711
22 HB3 ARG 5 HB1 ARG 5 -7.159 -0.347 2.772
23 HG2 ARG 5 HG2 ARG 5 -6.517 -0.153 -0.166
24 HG3 ARG 5 HG1 ARG 5 -8.158 0.005 0.452
25 HD2 ARG 5 HD2 ARG 5 -7.619 1.966 1.657
26 HD3 ARG 5 HD1 ARG 5 -5.891 1.685 1.490
27 HE ARG 5 HE ARG 5 -6.829 1.939 -1.055
28 HH11 ARG 5 HH11 ARG 5 -6.869 4.038 1.832
29 HH12 ARG 5 HH12 ARG 5 -6.769 5.469 0.926
30 HH21 ARG 5 HH21 ARG 5 -6.647 3.929 -2.261
31 HH22 ARG 5 HH22 ARG 5 -6.623 5.418 -1.413
32 HA PRO 6 HA PRO 6 -3.353 -3.686 -0.804
33 HB2 PRO 6 HB2 PRO 6 -6.174 -4.581 -1.362
34 HB3 PRO 6 HB1 PRO 6 -4.685 -5.528 -1.426
35 HG2 PRO 6 HG2 PRO 6 -6.269 -5.792 0.643
36 HG3 PRO 6 HG1 PRO 6 -4.520 -5.653 0.899
37 HD2 PRO 6 HD2 PRO 6 -6.664 -3.628 1.312
38 HD3 PRO 6 HD1 PRO 6 -5.205 -3.931 2.276
39 HA PRO 7 HA PRO 7 -3.478 -4.753 -2.882
40 HB2 PRO 7 HB2 PRO 7 -2.592 -4.669 -5.367
41 HB3 PRO 7 HB1 PRO 7 -4.324 -4.788 -4.991
42 HG2 PRO 7 HG2 PRO 7 -2.767 -2.410 -5.899
43 HG3 PRO 7 HG1 PRO 7 -4.409 -2.907 -6.341
44 HD2 PRO 7 HD2 PRO 7 -3.683 -1.035 -4.338
45 HD3 PRO 7 HD1 PRO 7 -5.296 -1.719 -4.615
46 H CYS 8 HN CYS 8 -2.378 -2.157 -2.099
47 HA CYS 8 HA CYS 8 0.457 -2.413 -2.794
48 HB2 CYS 8 HB2 CYS 8 -0.670 -0.517 -0.753
49 HB3 CYS 8 HB1 CYS 8 0.796 -0.323 -1.700
50 H ILE 9 HN ILE 9 0.585 -4.509 -1.885
51 HA ILE 9 HA ILE 9 0.124 -4.928 0.924
52 HB ILE 9 HB ILE 9 1.418 -6.804 -1.057
53 HG12 ILE 9 HG12 ILE 9 -0.817 -6.220 -1.852
54 HG13 ILE 9 HG11 ILE 9 -0.815 -7.868 -1.242
55 HG21 ILE 9 HG21 ILE 9 0.772 -8.554 0.539
56 HG22 ILE 9 HG22 ILE 9 0.128 -7.322 1.620
57 HG23 ILE 9 HG23 ILE 9 1.856 -7.370 1.270
58 HD11 ILE 9 HD11 ILE 9 -1.875 -5.436 0.183
59 HD12 ILE 9 HD12 ILE 9 -1.836 -7.074 0.834
60 HD13 ILE 9 HD13 ILE 9 -2.828 -6.712 -0.579
61 H ALA 10 HN ALA 10 2.808 -4.804 -1.254
62 HA ALA 10 HA ALA 10 4.778 -5.679 0.614
63 HB1 ALA 10 HB1 ALA 10 6.390 -5.245 -1.145
64 HB2 ALA 10 HB2 ALA 10 5.172 -4.366 -2.068
65 HB3 ALA 10 HB3 ALA 10 4.985 -6.097 -1.787
66 H ASN 11 HN ASN 11 6.732 -4.458 1.097
67 HA ASN 11 HA ASN 11 6.017 -1.965 2.261
68 HB2 ASN 11 HB2 ASN 11 8.607 -3.507 2.268
69 HB3 ASN 11 HB1 ASN 11 8.475 -1.903 2.984
70 HD21 ASN 11 HD21 ASN 11 9.003 -4.529 4.205
71 HD22 ASN 11 HD22 ASN 11 7.797 -4.703 5.423
72 H ASN 12 HN ASN 12 5.509 -0.697 0.765
73 HA ASN 12 HA ASN 12 7.582 0.347 -1.022
74 HB2 ASN 12 HB2 ASN 12 5.801 -0.810 -2.255
75 HB3 ASN 12 HB1 ASN 12 4.580 0.099 -1.381
76 HD21 ASN 12 HD21 ASN 12 7.018 0.234 -3.857
77 HD22 ASN 12 HD22 ASN 12 6.483 1.724 -4.532
78 HA PRO 13 HA PRO 13 7.145 4.158 1.315
79 HB2 PRO 13 HB2 PRO 13 7.206 5.448 -1.360
80 HB3 PRO 13 HB1 PRO 13 8.148 5.816 0.093
81 HG2 PRO 13 HG2 PRO 13 9.270 4.506 -1.905
82 HG3 PRO 13 HG1 PRO 13 9.582 4.005 -0.232
83 HD2 PRO 13 HD2 PRO 13 7.812 2.757 -2.290
84 HD3 PRO 13 HD1 PRO 13 8.846 1.995 -1.061
85 H ASP 14 HN ASP 14 4.985 3.491 -1.360
86 HA ASP 14 HA ASP 14 3.143 5.593 -0.632
87 HB2 ASP 14 HB2 ASP 14 2.994 3.372 -2.652
88 HB3 ASP 14 HB1 ASP 14 1.637 4.437 -2.313
89 H LEU 15 HN LEU 15 3.828 2.682 0.717
90 HA LEU 15 HA LEU 15 1.092 2.121 1.451
91 HB2 LEU 15 HB2 LEU 15 2.652 0.243 1.126
92 HB3 LEU 15 HB1 LEU 15 3.706 0.891 2.360
93 HG LEU 15 HG LEU 15 2.002 0.440 4.067
94 HD11 LEU 15 HD11 LEU 15 0.021 -0.881 3.510
95 HD12 LEU 15 HD12 LEU 15 0.421 -0.762 1.797
96 HD13 LEU 15 HD13 LEU 15 -0.001 0.689 2.709
97 HD21 LEU 15 HD21 LEU 15 2.154 -1.996 4.017
98 HD22 LEU 15 HD22 LEU 15 3.684 -1.255 3.554
99 HD23 LEU 15 HD23 LEU 15 2.626 -1.937 2.322
100 H CYS 16 HN CYS 16 0.225 3.521 2.800
101 HA CYS 16 HA CYS 16 1.871 4.495 5.008
102 HB2 CYS 16 HB2 CYS 16 -0.284 6.116 3.654
103 HB3 CYS 16 HB1 CYS 16 0.874 6.656 4.843
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 1.063 6.365 -4.181
2 H2 GLY 1 HT2 GLY 1 2.188 7.518 -3.680
3 H3 GLY 1 HT3 GLY 1 1.116 7.893 -4.932
4 HA2 GLY 1 HA1 GLY 1 0.515 8.933 -2.842
5 HA3 GLY 1 HA2 GLY 1 -0.724 7.823 -3.420
6 H CYS 2 HN CYS 2 -1.519 7.411 -1.389
7 HA CYS 2 HA CYS 2 0.135 5.631 0.209
8 HB2 CYS 2 HB2 CYS 2 -1.440 7.970 1.159
9 HB3 CYS 2 HB1 CYS 2 -1.165 6.617 2.231
10 H CYS 3 HN CYS 3 -0.758 3.822 0.456
11 HA CYS 3 HA CYS 3 -3.661 3.506 0.103
12 HB2 CYS 3 HB2 CYS 3 -1.476 1.469 0.040
13 HB3 CYS 3 HB1 CYS 3 -3.147 1.215 -0.451
14 H SER 4 HN SER 4 -4.707 3.226 2.068
15 HA SER 4 HA SER 4 -3.374 1.869 4.237
16 HB2 SER 4 HB2 SER 4 -5.648 2.380 5.319
17 HB3 SER 4 HB1 SER 4 -4.646 3.770 4.892
18 HG SER 4 HG SER 4 -7.015 3.594 4.259
19 H ARG 5 HN ARG 5 -4.462 0.852 1.502
20 HA ARG 5 HA ARG 5 -5.808 -1.562 2.445
21 HB2 ARG 5 HB2 ARG 5 -7.473 -1.294 0.570
22 HB3 ARG 5 HB1 ARG 5 -7.623 -0.079 1.828
23 HG2 ARG 5 HG2 ARG 5 -6.435 1.523 0.407
24 HG3 ARG 5 HG1 ARG 5 -6.279 0.288 -0.841
25 HD2 ARG 5 HD2 ARG 5 -8.905 1.327 0.237
26 HD3 ARG 5 HD1 ARG 5 -8.135 1.888 -1.244
27 HE ARG 5 HE ARG 5 -8.427 -0.899 -1.389
28 HH11 ARG 5 HH11 ARG 5 -10.490 1.978 -1.383
29 HH12 ARG 5 HH12 ARG 5 -11.693 1.258 -2.359
30 HH21 ARG 5 HH21 ARG 5 -10.063 -1.844 -2.687
31 HH22 ARG 5 HH22 ARG 5 -11.463 -0.968 -3.110
32 HA PRO 6 HA PRO 6 -3.314 -3.564 -0.736
33 HB2 PRO 6 HB2 PRO 6 -5.209 -5.047 -2.127
34 HB3 PRO 6 HB1 PRO 6 -4.444 -5.565 -0.623
35 HG2 PRO 6 HG2 PRO 6 -7.104 -4.277 -1.054
36 HG3 PRO 6 HG1 PRO 6 -6.663 -5.601 0.038
37 HD2 PRO 6 HD2 PRO 6 -7.012 -3.140 0.959
38 HD3 PRO 6 HD1 PRO 6 -5.724 -4.173 1.593
39 HA PRO 7 HA PRO 7 -2.920 -4.776 -2.608
40 HB2 PRO 7 HB2 PRO 7 -1.752 -4.936 -4.952
41 HB3 PRO 7 HB1 PRO 7 -3.506 -5.152 -4.755
42 HG2 PRO 7 HG2 PRO 7 -2.024 -2.813 -5.861
43 HG3 PRO 7 HG1 PRO 7 -3.579 -3.496 -6.360
44 HD2 PRO 7 HD2 PRO 7 -3.136 -1.317 -4.570
45 HD3 PRO 7 HD1 PRO 7 -4.687 -2.088 -4.963
46 H CYS 8 HN CYS 8 -2.162 -2.064 -1.954
47 HA CYS 8 HA CYS 8 0.711 -1.903 -2.491
48 HB2 CYS 8 HB2 CYS 8 -0.911 -0.209 -0.620
49 HB3 CYS 8 HB1 CYS 8 0.609 0.246 -1.390
50 H ILE 9 HN ILE 9 0.386 -4.170 -1.318
51 HA ILE 9 HA ILE 9 0.228 -4.070 1.561
52 HB ILE 9 HB ILE 9 0.450 -6.514 1.475
53 HG12 ILE 9 HG12 ILE 9 0.417 -6.133 -1.536
54 HG13 ILE 9 HG11 ILE 9 1.797 -6.690 -0.599
55 HG21 ILE 9 HG21 ILE 9 -1.738 -5.421 1.429
56 HG22 ILE 9 HG22 ILE 9 -1.754 -6.888 0.449
57 HG23 ILE 9 HG23 ILE 9 -1.655 -5.311 -0.332
58 HD11 ILE 9 HD11 ILE 9 0.545 -8.696 0.033
59 HD12 ILE 9 HD12 ILE 9 0.672 -8.533 -1.720
60 HD13 ILE 9 HD13 ILE 9 -0.837 -8.124 -0.902
61 H ALA 10 HN ALA 10 2.712 -4.337 -0.768
62 HA ALA 10 HA ALA 10 4.657 -5.351 1.135
63 HB1 ALA 10 HB1 ALA 10 5.062 -4.409 -1.703
64 HB2 ALA 10 HB2 ALA 10 4.739 -6.070 -1.216
65 HB3 ALA 10 HB3 ALA 10 6.235 -5.282 -0.717
66 H ASN 11 HN ASN 11 6.674 -4.207 1.553
67 HA ASN 11 HA ASN 11 6.208 -1.523 2.322
68 HB2 ASN 11 HB2 ASN 11 8.638 -3.278 2.455
69 HB3 ASN 11 HB1 ASN 11 8.775 -1.562 2.808
70 HD21 ASN 11 HD21 ASN 11 7.752 -0.744 4.642
71 HD22 ASN 11 HD22 ASN 11 7.209 -1.746 5.922
72 H ASN 12 HN ASN 12 5.733 -0.394 0.736
73 HA ASN 12 HA ASN 12 7.745 0.383 -1.246
74 HB2 ASN 12 HB2 ASN 12 6.142 -1.197 -2.285
75 HB3 ASN 12 HB1 ASN 12 4.803 -0.267 -1.637
76 HD21 ASN 12 HD21 ASN 12 7.247 -0.459 -4.082
77 HD22 ASN 12 HD22 ASN 12 6.617 0.796 -5.071
78 HA PRO 13 HA PRO 13 6.714 4.526 0.204
79 HB2 PRO 13 HB2 PRO 13 6.108 5.656 -2.329
80 HB3 PRO 13 HB1 PRO 13 7.628 5.748 -1.446
81 HG2 PRO 13 HG2 PRO 13 6.820 3.901 -3.629
82 HG3 PRO 13 HG1 PRO 13 8.424 4.542 -3.235
83 HD2 PRO 13 HD2 PRO 13 7.778 2.013 -2.705
84 HD3 PRO 13 HD1 PRO 13 8.775 2.950 -1.570
85 H ASP 14 HN ASP 14 4.454 2.900 -1.961
86 HA ASP 14 HA ASP 14 2.276 4.681 -1.314
87 HB2 ASP 14 HB2 ASP 14 2.360 2.095 -2.858
88 HB3 ASP 14 HB1 ASP 14 0.846 2.900 -2.472
89 H LEU 15 HN LEU 15 3.660 2.138 0.303
90 HA LEU 15 HA LEU 15 1.222 1.395 1.669
91 HB2 LEU 15 HB2 LEU 15 2.929 -0.319 1.401
92 HB3 LEU 15 HB1 LEU 15 4.122 0.694 2.183
93 HG LEU 15 HG LEU 15 2.873 0.495 4.310
94 HD11 LEU 15 HD11 LEU 15 1.135 -1.435 2.794
95 HD12 LEU 15 HD12 LEU 15 0.643 0.122 3.465
96 HD13 LEU 15 HD13 LEU 15 1.121 -1.191 4.540
97 HD21 LEU 15 HD21 LEU 15 3.445 -1.848 4.758
98 HD22 LEU 15 HD22 LEU 15 4.713 -1.013 3.866
99 HD23 LEU 15 HD23 LEU 15 3.631 -2.126 3.026
100 H CYS 16 HN CYS 16 0.374 2.899 2.937
101 HA CYS 16 HA CYS 16 2.186 4.240 4.801
102 HB2 CYS 16 HB2 CYS 16 -0.230 5.447 3.451
103 HB3 CYS 16 HB1 CYS 16 0.731 6.244 4.689
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 1.736 7.154 -3.815
2 H2 GLY 1 HT2 GLY 1 2.152 8.584 -3.039
3 H3 GLY 1 HT3 GLY 1 1.520 8.636 -4.616
4 HA2 GLY 1 HA1 GLY 1 -0.132 9.248 -2.947
5 HA3 GLY 1 HA2 GLY 1 -0.559 7.748 -3.771
6 H CYS 2 HN CYS 2 -1.842 7.458 -1.747
7 HA CYS 2 HA CYS 2 -0.212 5.962 0.105
8 HB2 CYS 2 HB2 CYS 2 -2.102 8.137 0.889
9 HB3 CYS 2 HB1 CYS 2 -1.681 6.849 1.998
10 H CYS 3 HN CYS 3 -0.903 4.112 0.192
11 HA CYS 3 HA CYS 3 -3.757 3.446 -0.189
12 HB2 CYS 3 HB2 CYS 3 -1.327 1.695 -0.262
13 HB3 CYS 3 HB1 CYS 3 -2.959 1.187 -0.675
14 H SER 4 HN SER 4 -4.767 2.915 1.793
15 HA SER 4 HA SER 4 -3.088 2.039 3.967
16 HB2 SER 4 HB2 SER 4 -5.347 2.111 5.165
17 HB3 SER 4 HB1 SER 4 -4.709 3.655 4.603
18 HG SER 4 HG SER 4 -7.019 2.655 4.091
19 H ARG 5 HN ARG 5 -4.657 0.752 1.401
20 HA ARG 5 HA ARG 5 -5.154 -1.856 2.659
21 HB2 ARG 5 HB2 ARG 5 -7.091 -2.083 1.124
22 HB3 ARG 5 HB1 ARG 5 -7.253 -0.673 2.155
23 HG2 ARG 5 HG2 ARG 5 -6.536 0.758 0.330
24 HG3 ARG 5 HG1 ARG 5 -6.325 -0.655 -0.703
25 HD2 ARG 5 HD2 ARG 5 -8.683 -1.184 -0.459
26 HD3 ARG 5 HD1 ARG 5 -8.911 0.248 0.549
27 HE ARG 5 HE ARG 5 -7.864 1.277 -1.671
28 HH11 ARG 5 HH11 ARG 5 -10.514 -1.017 -1.197
29 HH12 ARG 5 HH12 ARG 5 -11.399 -0.522 -2.556
30 HH21 ARG 5 HH21 ARG 5 -9.057 1.944 -3.584
31 HH22 ARG 5 HH22 ARG 5 -10.542 1.203 -3.963
32 HA PRO 6 HA PRO 6 -2.737 -3.836 -0.619
33 HB2 PRO 6 HB2 PRO 6 -4.667 -5.487 -1.807
34 HB3 PRO 6 HB1 PRO 6 -3.667 -5.916 -0.416
35 HG2 PRO 6 HG2 PRO 6 -6.454 -4.834 -0.487
36 HG3 PRO 6 HG1 PRO 6 -5.775 -6.102 0.550
37 HD2 PRO 6 HD2 PRO 6 -6.158 -3.698 1.541
38 HD3 PRO 6 HD1 PRO 6 -4.651 -4.550 1.899
39 HA PRO 7 HA PRO 7 -2.222 -5.006 -2.345
40 HB2 PRO 7 HB2 PRO 7 -1.107 -5.230 -4.713
41 HB3 PRO 7 HB1 PRO 7 -2.820 -5.631 -4.450
42 HG2 PRO 7 HG2 PRO 7 -1.643 -3.211 -5.729
43 HG3 PRO 7 HG1 PRO 7 -3.098 -4.114 -6.188
44 HD2 PRO 7 HD2 PRO 7 -2.955 -1.781 -4.564
45 HD3 PRO 7 HD1 PRO 7 -4.385 -2.796 -4.845
46 H CYS 8 HN CYS 8 -1.831 -2.145 -1.994
47 HA CYS 8 HA CYS 8 1.004 -1.648 -2.608
48 HB2 CYS 8 HB2 CYS 8 -0.812 -0.017 -0.865
49 HB3 CYS 8 HB1 CYS 8 0.672 0.543 -1.631
50 H ILE 9 HN ILE 9 -0.348 -3.589 -0.552
51 HA ILE 9 HA ILE 9 0.586 -2.757 1.988
52 HB ILE 9 HB ILE 9 0.038 -5.142 2.663
53 HG12 ILE 9 HG12 ILE 9 -1.746 -6.217 1.170
54 HG13 ILE 9 HG11 ILE 9 -1.219 -5.134 -0.101
55 HG21 ILE 9 HG21 ILE 9 -2.081 -3.256 1.647
56 HG22 ILE 9 HG22 ILE 9 -1.340 -3.263 3.249
57 HG23 ILE 9 HG23 ILE 9 -2.389 -4.591 2.753
58 HD11 ILE 9 HD11 ILE 9 0.988 -6.165 -0.063
59 HD12 ILE 9 HD12 ILE 9 -0.282 -7.357 -0.356
60 HD13 ILE 9 HD13 ILE 9 0.466 -7.234 1.236
61 H ALA 10 HN ALA 10 2.082 -4.299 -0.513
62 HA ALA 10 HA ALA 10 4.042 -5.823 0.898
63 HB1 ALA 10 HB1 ALA 10 3.451 -6.249 -1.443
64 HB2 ALA 10 HB2 ALA 10 5.178 -5.933 -1.271
65 HB3 ALA 10 HB3 ALA 10 4.110 -4.678 -1.893
66 H ASN 11 HN ASN 11 6.510 -5.037 -0.037
67 HA ASN 11 HA ASN 11 7.032 -2.665 1.462
68 HB2 ASN 11 HB2 ASN 11 8.804 -4.446 -0.197
69 HB3 ASN 11 HB1 ASN 11 9.411 -2.934 0.471
70 HD21 ASN 11 HD21 ASN 11 9.726 -2.775 2.659
71 HD22 ASN 11 HD22 ASN 11 9.705 -4.130 3.719
72 H ASN 12 HN ASN 12 5.772 -1.232 0.559
73 HA ASN 12 HA ASN 12 6.679 -0.013 -1.932
74 HB2 ASN 12 HB2 ASN 12 4.633 -1.437 -2.252
75 HB3 ASN 12 HB1 ASN 12 3.817 -0.470 -1.039
76 HD21 ASN 12 HD21 ASN 12 3.085 -0.924 -3.782
77 HD22 ASN 12 HD22 ASN 12 3.050 0.629 -4.535
78 HA PRO 13 HA PRO 13 6.706 3.342 1.125
79 HB2 PRO 13 HB2 PRO 13 7.188 5.379 -0.652
80 HB3 PRO 13 HB1 PRO 13 8.441 4.336 0.026
81 HG2 PRO 13 HG2 PRO 13 7.079 4.189 -2.622
82 HG3 PRO 13 HG1 PRO 13 8.785 3.932 -2.226
83 HD2 PRO 13 HD2 PRO 13 7.099 1.882 -2.669
84 HD3 PRO 13 HD1 PRO 13 8.421 1.770 -1.490
85 H ASP 14 HN ASP 14 4.497 2.918 -1.436
86 HA ASP 14 HA ASP 14 2.863 5.245 -0.927
87 HB2 ASP 14 HB2 ASP 14 2.403 2.757 -2.563
88 HB3 ASP 14 HB1 ASP 14 1.122 3.921 -2.282
89 H LEU 15 HN LEU 15 3.347 2.383 0.658
90 HA LEU 15 HA LEU 15 0.680 2.125 1.689
91 HB2 LEU 15 HB2 LEU 15 2.189 0.179 1.509
92 HB3 LEU 15 HB1 LEU 15 3.291 0.932 2.638
93 HG LEU 15 HG LEU 15 1.580 0.748 4.411
94 HD11 LEU 15 HD11 LEU 15 -0.013 -0.725 2.317
95 HD12 LEU 15 HD12 LEU 15 -0.439 0.811 3.073
96 HD13 LEU 15 HD13 LEU 15 -0.393 -0.664 4.036
97 HD21 LEU 15 HD21 LEU 15 2.232 -1.827 2.990
98 HD22 LEU 15 HD22 LEU 15 1.711 -1.682 4.668
99 HD23 LEU 15 HD23 LEU 15 3.251 -0.989 4.158
100 H CYS 16 HN CYS 16 -0.002 3.781 2.841
101 HA CYS 16 HA CYS 16 1.826 4.964 4.799
102 HB2 CYS 16 HB2 CYS 16 -0.668 6.178 3.572
103 HB3 CYS 16 HB1 CYS 16 0.403 6.974 4.712
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 1.351 7.237 -3.869
2 H2 GLY 1 HT2 GLY 1 0.695 8.304 -5.007
3 H3 GLY 1 HT3 GLY 1 -0.036 6.800 -4.705
4 HA2 GLY 1 HA1 GLY 1 0.160 8.999 -2.762
5 HA3 GLY 1 HA2 GLY 1 -1.297 8.489 -3.620
6 H CYS 2 HN CYS 2 -0.779 8.513 -0.756
7 HA CYS 2 HA CYS 2 0.007 6.091 0.275
8 HB2 CYS 2 HB2 CYS 2 -1.790 8.209 1.347
9 HB3 CYS 2 HB1 CYS 2 -1.412 6.773 2.273
10 H CYS 3 HN CYS 3 -0.726 4.228 0.397
11 HA CYS 3 HA CYS 3 -3.541 3.612 -0.189
12 HB2 CYS 3 HB2 CYS 3 -1.160 1.805 -0.068
13 HB3 CYS 3 HB1 CYS 3 -2.759 1.365 -0.650
14 H SER 4 HN SER 4 -4.686 3.082 1.681
15 HA SER 4 HA SER 4 -3.245 2.042 3.976
16 HB2 SER 4 HB2 SER 4 -5.643 2.110 4.934
17 HB3 SER 4 HB1 SER 4 -4.865 3.655 4.578
18 HG SER 4 HG SER 4 -6.353 4.044 3.239
19 H ARG 5 HN ARG 5 -4.743 1.009 1.243
20 HA ARG 5 HA ARG 5 -5.540 -1.644 2.260
21 HB2 ARG 5 HB2 ARG 5 -7.040 -1.708 0.287
22 HB3 ARG 5 HB1 ARG 5 -7.376 -0.315 1.306
23 HG2 ARG 5 HG2 ARG 5 -6.147 1.119 -0.213
24 HG3 ARG 5 HG1 ARG 5 -5.725 -0.264 -1.211
25 HD2 ARG 5 HD2 ARG 5 -7.564 1.014 -2.167
26 HD3 ARG 5 HD1 ARG 5 -8.076 -0.619 -1.741
27 HE ARG 5 HE ARG 5 -8.650 1.011 0.415
28 HH11 ARG 5 HH11 ARG 5 -9.607 0.949 -2.986
29 HH12 ARG 5 HH12 ARG 5 -11.219 1.395 -2.698
30 HH21 ARG 5 HH21 ARG 5 -10.834 1.669 0.835
31 HH22 ARG 5 HH22 ARG 5 -11.926 1.852 -0.456
32 HA PRO 6 HA PRO 6 -2.615 -3.632 -0.610
33 HB2 PRO 6 HB2 PRO 6 -4.338 -5.383 -1.922
34 HB3 PRO 6 HB1 PRO 6 -3.565 -5.721 -0.372
35 HG2 PRO 6 HG2 PRO 6 -6.317 -4.694 -0.935
36 HG3 PRO 6 HG1 PRO 6 -5.792 -5.901 0.254
37 HD2 PRO 6 HD2 PRO 6 -6.352 -3.427 1.011
38 HD3 PRO 6 HD1 PRO 6 -4.969 -4.284 1.713
39 HA PRO 7 HA PRO 7 -1.981 -4.864 -2.368
40 HB2 PRO 7 HB2 PRO 7 -0.600 -4.770 -4.704
41 HB3 PRO 7 HB1 PRO 7 -2.138 -5.604 -4.417
42 HG2 PRO 7 HG2 PRO 7 -1.655 -3.281 -6.101
43 HG3 PRO 7 HG1 PRO 7 -3.130 -4.237 -5.928
44 HD2 PRO 7 HD2 PRO 7 -2.381 -1.707 -4.607
45 HD3 PRO 7 HD1 PRO 7 -3.986 -2.422 -4.864
46 H CYS 8 HN CYS 8 -1.642 -2.060 -1.837
47 HA CYS 8 HA CYS 8 1.210 -1.565 -2.261
48 HB2 CYS 8 HB2 CYS 8 -0.744 0.022 -0.619
49 HB3 CYS 8 HB1 CYS 8 0.852 0.576 -1.127
50 H ILE 9 HN ILE 9 -0.392 -3.514 -0.247
51 HA ILE 9 HA ILE 9 0.757 -2.903 2.278
52 HB ILE 9 HB ILE 9 0.095 -5.194 2.928
53 HG12 ILE 9 HG12 ILE 9 -1.130 -5.278 0.159
54 HG13 ILE 9 HG11 ILE 9 0.190 -6.279 0.756
55 HG21 ILE 9 HG21 ILE 9 -2.346 -4.672 2.917
56 HG22 ILE 9 HG22 ILE 9 -2.032 -3.390 1.749
57 HG23 ILE 9 HG23 ILE 9 -1.349 -3.291 3.372
58 HD11 ILE 9 HD11 ILE 9 -2.646 -6.312 1.758
59 HD12 ILE 9 HD12 ILE 9 -1.332 -7.320 2.360
60 HD13 ILE 9 HD13 ILE 9 -1.905 -7.513 0.702
61 H ALA 10 HN ALA 10 1.922 -4.468 -0.426
62 HA ALA 10 HA ALA 10 4.049 -5.979 0.697
63 HB1 ALA 10 HB1 ALA 10 3.368 -6.224 -1.654
64 HB2 ALA 10 HB2 ALA 10 5.078 -5.808 -1.544
65 HB3 ALA 10 HB3 ALA 10 3.898 -4.574 -1.984
66 H ASN 11 HN ASN 11 6.494 -5.006 -0.124
67 HA ASN 11 HA ASN 11 6.712 -2.670 1.550
68 HB2 ASN 11 HB2 ASN 11 8.928 -4.086 0.017
69 HB3 ASN 11 HB1 ASN 11 9.163 -2.770 1.154
70 HD21 ASN 11 HD21 ASN 11 8.820 -3.166 3.369
71 HD22 ASN 11 HD22 ASN 11 8.831 -4.757 4.010
72 H ASN 12 HN ASN 12 5.471 -1.359 0.440
73 HA ASN 12 HA ASN 12 6.573 -0.170 -2.007
74 HB2 ASN 12 HB2 ASN 12 4.485 -1.447 -2.400
75 HB3 ASN 12 HB1 ASN 12 3.684 -0.544 -1.133
76 HD21 ASN 12 HD21 ASN 12 3.074 -0.920 -3.975
77 HD22 ASN 12 HD22 ASN 12 2.924 0.675 -4.626
78 HA PRO 13 HA PRO 13 7.003 3.354 0.719
79 HB2 PRO 13 HB2 PRO 13 7.093 5.292 -1.205
80 HB3 PRO 13 HB1 PRO 13 8.467 4.268 -0.769
81 HG2 PRO 13 HG2 PRO 13 6.527 3.960 -3.034
82 HG3 PRO 13 HG1 PRO 13 8.292 3.796 -3.053
83 HD2 PRO 13 HD2 PRO 13 6.726 1.658 -2.993
84 HD3 PRO 13 HD1 PRO 13 8.225 1.696 -2.040
85 H ASP 14 HN ASP 14 4.426 3.042 -1.582
86 HA ASP 14 HA ASP 14 2.985 5.352 -0.639
87 HB2 ASP 14 HB2 ASP 14 2.211 3.146 -2.544
88 HB3 ASP 14 HB1 ASP 14 1.070 4.372 -2.013
89 H LEU 15 HN LEU 15 3.507 2.388 0.685
90 HA LEU 15 HA LEU 15 0.883 1.976 1.745
91 HB2 LEU 15 HB2 LEU 15 2.447 0.106 1.549
92 HB3 LEU 15 HB1 LEU 15 3.539 0.889 2.672
93 HG LEU 15 HG LEU 15 1.845 0.667 4.456
94 HD11 LEU 15 HD11 LEU 15 0.277 -0.851 2.380
95 HD12 LEU 15 HD12 LEU 15 -0.185 0.660 3.167
96 HD13 LEU 15 HD13 LEU 15 -0.080 -0.827 4.106
97 HD21 LEU 15 HD21 LEU 15 2.573 -1.911 3.072
98 HD22 LEU 15 HD22 LEU 15 2.063 -1.756 4.753
99 HD23 LEU 15 HD23 LEU 15 3.574 -1.021 4.218
100 H CYS 16 HN CYS 16 0.074 3.524 2.937
101 HA CYS 16 HA CYS 16 1.700 4.558 5.131
102 HB2 CYS 16 HB2 CYS 16 -0.609 5.920 3.734
103 HB3 CYS 16 HB1 CYS 16 0.355 6.608 5.028
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 1.572 8.649 -4.303
2 H2 GLY 1 HT2 GLY 1 1.652 7.093 -3.611
3 H3 GLY 1 HT3 GLY 1 2.303 8.405 -2.790
4 HA2 GLY 1 HA1 GLY 1 0.126 9.334 -2.481
5 HA3 GLY 1 HA2 GLY 1 -0.545 7.972 -3.376
6 H CYS 2 HN CYS 2 -1.723 7.719 -1.313
7 HA CYS 2 HA CYS 2 -0.161 6.004 0.427
8 HB2 CYS 2 HB2 CYS 2 -1.985 8.203 1.191
9 HB3 CYS 2 HB1 CYS 2 -1.734 6.876 2.300
10 H CYS 3 HN CYS 3 -0.860 4.163 0.313
11 HA CYS 3 HA CYS 3 -3.647 3.555 -0.333
12 HB2 CYS 3 HB2 CYS 3 -1.251 1.770 -0.088
13 HB3 CYS 3 HB1 CYS 3 -2.833 1.255 -0.661
14 H SER 4 HN SER 4 -4.946 3.070 1.388
15 HA SER 4 HA SER 4 -3.767 2.194 3.884
16 HB2 SER 4 HB2 SER 4 -6.279 2.337 4.543
17 HB3 SER 4 HB1 SER 4 -5.418 3.842 4.216
18 HG SER 4 HG SER 4 -6.526 4.139 2.465
19 H ARG 5 HN ARG 5 -4.896 0.927 1.077
20 HA ARG 5 HA ARG 5 -5.676 -1.661 2.246
21 HB2 ARG 5 HB2 ARG 5 -7.133 -1.939 0.261
22 HB3 ARG 5 HB1 ARG 5 -7.571 -0.506 1.176
23 HG2 ARG 5 HG2 ARG 5 -6.365 0.884 -0.423
24 HG3 ARG 5 HG1 ARG 5 -5.912 -0.552 -1.334
25 HD2 ARG 5 HD2 ARG 5 -8.302 -1.014 -1.732
26 HD3 ARG 5 HD1 ARG 5 -8.710 0.465 -0.867
27 HE ARG 5 HE ARG 5 -6.966 1.276 -2.773
28 HH11 ARG 5 HH11 ARG 5 -10.081 -0.415 -2.845
29 HH12 ARG 5 HH12 ARG 5 -10.456 0.093 -4.442
30 HH21 ARG 5 HH21 ARG 5 -7.550 2.021 -4.958
31 HH22 ARG 5 HH22 ARG 5 -9.024 1.491 -5.621
32 HA PRO 6 HA PRO 6 -2.532 -3.614 -0.389
33 HB2 PRO 6 HB2 PRO 6 -4.086 -5.546 -1.669
34 HB3 PRO 6 HB1 PRO 6 -3.347 -5.753 -0.080
35 HG2 PRO 6 HG2 PRO 6 -6.135 -4.958 -0.786
36 HG3 PRO 6 HG1 PRO 6 -5.570 -6.052 0.490
37 HD2 PRO 6 HD2 PRO 6 -6.335 -3.585 1.087
38 HD3 PRO 6 HD1 PRO 6 -4.917 -4.306 1.870
39 HA PRO 7 HA PRO 7 -1.858 -4.965 -2.061
40 HB2 PRO 7 HB2 PRO 7 -0.642 -5.357 -4.323
41 HB3 PRO 7 HB1 PRO 7 -2.384 -5.666 -4.169
42 HG2 PRO 7 HG2 PRO 7 -1.025 -3.315 -5.427
43 HG3 PRO 7 HG1 PRO 7 -2.413 -4.241 -6.022
44 HD2 PRO 7 HD2 PRO 7 -2.499 -1.863 -4.491
45 HD3 PRO 7 HD1 PRO 7 -3.865 -2.944 -4.834
46 H CYS 8 HN CYS 8 -1.534 -2.116 -1.757
47 HA CYS 8 HA CYS 8 1.291 -1.542 -2.298
48 HB2 CYS 8 HB2 CYS 8 -0.659 0.054 -0.670
49 HB3 CYS 8 HB1 CYS 8 0.876 0.639 -1.302
50 H ILE 9 HN ILE 9 -0.258 -3.332 -0.056
51 HA ILE 9 HA ILE 9 0.905 -2.433 2.390
52 HB ILE 9 HB ILE 9 0.205 -4.626 3.286
53 HG12 ILE 9 HG12 ILE 9 -0.972 -5.001 0.525
54 HG13 ILE 9 HG11 ILE 9 0.333 -5.942 1.237
55 HG21 ILE 9 HG21 ILE 9 -2.232 -4.094 3.186
56 HG22 ILE 9 HG22 ILE 9 -1.900 -2.968 1.869
57 HG23 ILE 9 HG23 ILE 9 -1.238 -2.665 3.474
58 HD11 ILE 9 HD11 ILE 9 -1.210 -6.794 2.916
59 HD12 ILE 9 HD12 ILE 9 -1.764 -7.151 1.280
60 HD13 ILE 9 HD13 ILE 9 -2.513 -5.846 2.202
61 H ALA 10 HN ALA 10 2.031 -4.274 -0.120
62 HA ALA 10 HA ALA 10 4.057 -5.766 1.239
63 HB1 ALA 10 HB1 ALA 10 4.942 -6.166 -1.029
64 HB2 ALA 10 HB2 ALA 10 3.847 -4.941 -1.667
65 HB3 ALA 10 HB3 ALA 10 3.198 -6.424 -0.972
66 H ASN 11 HN ASN 11 6.382 -5.108 -0.240
67 HA ASN 11 HA ASN 11 7.146 -2.722 1.130
68 HB2 ASN 11 HB2 ASN 11 8.759 -4.525 -0.694
69 HB3 ASN 11 HB1 ASN 11 9.420 -3.112 0.121
70 HD21 ASN 11 HD21 ASN 11 10.043 -5.981 0.408
71 HD22 ASN 11 HD22 ASN 11 9.838 -6.337 2.080
72 H ASN 12 HN ASN 12 5.795 -1.307 0.259
73 HA ASN 12 HA ASN 12 6.518 -0.200 -2.344
74 HB2 ASN 12 HB2 ASN 12 4.481 -1.624 -2.540
75 HB3 ASN 12 HB1 ASN 12 3.728 -0.709 -1.252
76 HD21 ASN 12 HD21 ASN 12 2.916 -1.221 -3.989
77 HD22 ASN 12 HD22 ASN 12 2.653 0.328 -4.707
78 HA PRO 13 HA PRO 13 6.873 3.364 0.396
79 HB2 PRO 13 HB2 PRO 13 6.794 5.298 -1.557
80 HB3 PRO 13 HB1 PRO 13 8.243 4.403 -1.103
81 HG2 PRO 13 HG2 PRO 13 6.369 3.957 -3.382
82 HG3 PRO 13 HG1 PRO 13 8.137 3.836 -3.346
83 HD2 PRO 13 HD2 PRO 13 6.549 1.675 -3.306
84 HD3 PRO 13 HD1 PRO 13 8.081 1.710 -2.412
85 H ASP 14 HN ASP 14 4.255 2.865 -1.784
86 HA ASP 14 HA ASP 14 2.668 5.134 -0.952
87 HB2 ASP 14 HB2 ASP 14 2.045 2.700 -2.619
88 HB3 ASP 14 HB1 ASP 14 0.807 3.849 -2.146
89 H LEU 15 HN LEU 15 3.482 2.382 0.629
90 HA LEU 15 HA LEU 15 0.946 1.864 1.795
91 HB2 LEU 15 HB2 LEU 15 2.599 0.111 1.746
92 HB3 LEU 15 HB1 LEU 15 3.716 1.086 2.677
93 HG LEU 15 HG LEU 15 2.267 0.947 4.620
94 HD11 LEU 15 HD11 LEU 15 0.442 -0.649 2.834
95 HD12 LEU 15 HD12 LEU 15 0.093 0.849 3.693
96 HD13 LEU 15 HD13 LEU 15 0.342 -0.644 4.593
97 HD21 LEU 15 HD21 LEU 15 2.523 -1.451 5.096
98 HD22 LEU 15 HD22 LEU 15 3.961 -0.760 4.349
99 HD23 LEU 15 HD23 LEU 15 2.856 -1.742 3.389
100 H CYS 16 HN CYS 16 -0.020 3.376 2.878
101 HA CYS 16 HA CYS 16 1.432 4.564 5.119
102 HB2 CYS 16 HB2 CYS 16 -0.834 5.804 3.558
103 HB3 CYS 16 HB1 CYS 16 -0.013 6.546 4.923
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 0.728 7.874 -5.256
2 H2 GLY 1 HT2 GLY 1 0.090 6.364 -4.807
3 H3 GLY 1 HT3 GLY 1 1.487 6.927 -4.065
4 HA2 GLY 1 HA1 GLY 1 0.233 8.688 -3.019
5 HA3 GLY 1 HA2 GLY 1 -1.217 8.049 -3.789
6 H CYS 2 HN CYS 2 -0.872 8.229 -0.991
7 HA CYS 2 HA CYS 2 0.111 5.846 0.100
8 HB2 CYS 2 HB2 CYS 2 -1.693 7.956 1.150
9 HB3 CYS 2 HB1 CYS 2 -1.291 6.545 2.099
10 H CYS 3 HN CYS 3 -0.642 3.979 0.072
11 HA CYS 3 HA CYS 3 -3.524 3.487 -0.211
12 HB2 CYS 3 HB2 CYS 3 -1.197 1.565 -0.237
13 HB3 CYS 3 HB1 CYS 3 -2.871 1.148 -0.554
14 H SER 4 HN SER 4 -4.555 3.172 1.717
15 HA SER 4 HA SER 4 -3.042 2.268 4.010
16 HB2 SER 4 HB2 SER 4 -5.369 2.678 5.076
17 HB3 SER 4 HB1 SER 4 -4.440 4.081 4.536
18 HG SER 4 HG SER 4 -6.781 2.979 3.498
19 H ARG 5 HN ARG 5 -4.268 0.855 1.469
20 HA ARG 5 HA ARG 5 -5.364 -1.508 2.809
21 HB2 ARG 5 HB2 ARG 5 -7.248 -1.480 1.197
22 HB3 ARG 5 HB1 ARG 5 -7.251 -0.055 2.231
23 HG2 ARG 5 HG2 ARG 5 -6.145 1.203 0.430
24 HG3 ARG 5 HG1 ARG 5 -6.255 -0.218 -0.596
25 HD2 ARG 5 HD2 ARG 5 -8.695 -0.142 -0.426
26 HD3 ARG 5 HD1 ARG 5 -8.568 1.294 0.596
27 HE ARG 5 HE ARG 5 -7.127 1.813 -1.673
28 HH11 ARG 5 HH11 ARG 5 -10.517 1.198 -0.858
29 HH12 ARG 5 HH12 ARG 5 -11.148 2.059 -2.180
30 HH21 ARG 5 HH21 ARG 5 -7.988 3.056 -3.478
31 HH22 ARG 5 HH22 ARG 5 -9.679 3.147 -3.703
32 HA PRO 6 HA PRO 6 -3.256 -3.791 -0.528
33 HB2 PRO 6 HB2 PRO 6 -5.401 -5.282 -1.527
34 HB3 PRO 6 HB1 PRO 6 -4.383 -5.771 -0.171
35 HG2 PRO 6 HG2 PRO 6 -7.050 -4.415 -0.151
36 HG3 PRO 6 HG1 PRO 6 -6.447 -5.717 0.893
37 HD2 PRO 6 HD2 PRO 6 -6.541 -3.245 1.809
38 HD3 PRO 6 HD1 PRO 6 -5.130 -4.266 2.143
39 HA PRO 7 HA PRO 7 -3.167 -5.091 -2.368
40 HB2 PRO 7 HB2 PRO 7 -2.343 -5.375 -4.852
41 HB3 PRO 7 HB1 PRO 7 -4.054 -5.554 -4.409
42 HG2 PRO 7 HG2 PRO 7 -2.715 -3.279 -5.796
43 HG3 PRO 7 HG1 PRO 7 -4.328 -3.955 -6.056
44 HD2 PRO 7 HD2 PRO 7 -3.632 -1.720 -4.432
45 HD3 PRO 7 HD1 PRO 7 -5.225 -2.493 -4.568
46 H CYS 8 HN CYS 8 -2.342 -2.351 -1.966
47 HA CYS 8 HA CYS 8 0.441 -2.153 -2.859
48 HB2 CYS 8 HB2 CYS 8 -1.028 -0.397 -0.886
49 HB3 CYS 8 HB1 CYS 8 0.431 0.016 -1.775
50 H ILE 9 HN ILE 9 -0.045 -4.406 -1.315
51 HA ILE 9 HA ILE 9 0.400 -3.960 1.485
52 HB ILE 9 HB ILE 9 0.522 -6.410 1.653
53 HG12 ILE 9 HG12 ILE 9 -0.085 -6.391 -1.316
54 HG13 ILE 9 HG11 ILE 9 1.456 -6.852 -0.603
55 HG21 ILE 9 HG21 ILE 9 -1.620 -5.251 1.893
56 HG22 ILE 9 HG22 ILE 9 -1.867 -6.795 1.075
57 HG23 ILE 9 HG23 ILE 9 -1.856 -5.299 0.146
58 HD11 ILE 9 HD11 ILE 9 0.116 -8.790 -1.240
59 HD12 ILE 9 HD12 ILE 9 -1.169 -8.251 -0.153
60 HD13 ILE 9 HD13 ILE 9 0.394 -8.729 0.499
61 H ALA 10 HN ALA 10 2.390 -4.607 -1.212
62 HA ALA 10 HA ALA 10 4.639 -5.644 0.170
63 HB1 ALA 10 HB1 ALA 10 4.542 -4.170 -2.462
64 HB2 ALA 10 HB2 ALA 10 4.375 -5.913 -2.248
65 HB3 ALA 10 HB3 ALA 10 5.902 -5.119 -1.864
66 H ASN 11 HN ASN 11 6.573 -4.600 0.714
67 HA ASN 11 HA ASN 11 6.234 -2.189 2.144
68 HB2 ASN 11 HB2 ASN 11 8.824 -3.609 1.460
69 HB3 ASN 11 HB1 ASN 11 8.599 -2.411 2.729
70 HD21 ASN 11 HD21 ASN 11 7.527 -3.012 4.620
71 HD22 ASN 11 HD22 ASN 11 7.224 -4.658 5.015
72 H ASN 12 HN ASN 12 5.714 -0.643 0.875
73 HA ASN 12 HA ASN 12 7.666 0.459 -1.029
74 HB2 ASN 12 HB2 ASN 12 5.901 -0.799 -2.241
75 HB3 ASN 12 HB1 ASN 12 4.668 0.092 -1.381
76 HD21 ASN 12 HD21 ASN 12 5.202 -0.285 -4.225
77 HD22 ASN 12 HD22 ASN 12 5.302 1.302 -4.899
78 HA PRO 13 HA PRO 13 6.987 4.131 1.519
79 HB2 PRO 13 HB2 PRO 13 7.159 5.568 -1.071
80 HB3 PRO 13 HB1 PRO 13 8.028 5.863 0.437
81 HG2 PRO 13 HG2 PRO 13 9.232 4.688 -1.633
82 HG3 PRO 13 HG1 PRO 13 9.573 4.196 0.034
83 HD2 PRO 13 HD2 PRO 13 7.979 2.814 -2.061
84 HD3 PRO 13 HD1 PRO 13 8.953 2.138 -0.741
85 H ASP 14 HN ASP 14 5.069 3.506 -1.358
86 HA ASP 14 HA ASP 14 3.065 5.481 -0.689
87 HB2 ASP 14 HB2 ASP 14 3.037 3.257 -2.735
88 HB3 ASP 14 HB1 ASP 14 1.639 4.274 -2.430
89 H LEU 15 HN LEU 15 3.783 2.545 0.615
90 HA LEU 15 HA LEU 15 1.057 1.989 1.401
91 HB2 LEU 15 HB2 LEU 15 2.554 0.082 1.117
92 HB3 LEU 15 HB1 LEU 15 3.696 0.769 2.250
93 HG LEU 15 HG LEU 15 2.054 0.457 4.072
94 HD11 LEU 15 HD11 LEU 15 0.084 -0.947 3.708
95 HD12 LEU 15 HD12 LEU 15 0.397 -0.929 1.972
96 HD13 LEU 15 HD13 LEU 15 -0.009 0.568 2.812
97 HD21 LEU 15 HD21 LEU 15 2.685 -2.033 2.494
98 HD22 LEU 15 HD22 LEU 15 2.242 -1.976 4.200
99 HD23 LEU 15 HD23 LEU 15 3.747 -1.235 3.656
100 H CYS 16 HN CYS 16 0.201 3.317 2.775
101 HA CYS 16 HA CYS 16 1.883 4.415 4.894
102 HB2 CYS 16 HB2 CYS 16 -0.479 5.695 3.535
103 HB3 CYS 16 HB1 CYS 16 0.445 6.417 4.837
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 0.748 8.152 -5.108
2 H2 GLY 1 HT2 GLY 1 0.109 6.614 -4.735
3 H3 GLY 1 HT3 GLY 1 1.453 7.174 -3.900
4 HA2 GLY 1 HA1 GLY 1 0.105 8.908 -2.931
5 HA3 GLY 1 HA2 GLY 1 -1.282 8.256 -3.806
6 H CYS 2 HN CYS 2 -0.627 8.465 -0.906
7 HA CYS 2 HA CYS 2 0.076 6.031 0.153
8 HB2 CYS 2 HB2 CYS 2 -1.548 8.266 1.237
9 HB3 CYS 2 HB1 CYS 2 -1.238 6.824 2.182
10 H CYS 3 HN CYS 3 -0.726 4.225 0.253
11 HA CYS 3 HA CYS 3 -3.533 3.657 -0.380
12 HB2 CYS 3 HB2 CYS 3 -1.210 1.781 0.023
13 HB3 CYS 3 HB1 CYS 3 -2.772 1.370 -0.659
14 H SER 4 HN SER 4 -4.848 3.284 1.394
15 HA SER 4 HA SER 4 -3.632 2.488 3.895
16 HB2 SER 4 HB2 SER 4 -6.078 2.774 4.672
17 HB3 SER 4 HB1 SER 4 -5.189 4.220 4.194
18 HG SER 4 HG SER 4 -7.048 2.764 2.588
19 H ARG 5 HN ARG 5 -4.182 0.809 1.322
20 HA ARG 5 HA ARG 5 -5.113 -1.589 2.618
21 HB2 ARG 5 HB2 ARG 5 -6.956 -1.948 1.000
22 HB3 ARG 5 HB1 ARG 5 -7.225 -0.509 1.965
23 HG2 ARG 5 HG2 ARG 5 -6.497 0.892 0.115
24 HG3 ARG 5 HG1 ARG 5 -6.157 -0.544 -0.851
25 HD2 ARG 5 HD2 ARG 5 -8.861 0.218 0.244
26 HD3 ARG 5 HD1 ARG 5 -8.329 0.499 -1.412
27 HE ARG 5 HE ARG 5 -7.972 -2.139 -1.148
28 HH11 ARG 5 HH11 ARG 5 -10.792 -0.096 -0.424
29 HH12 ARG 5 HH12 ARG 5 -11.912 -1.341 -0.740
30 HH21 ARG 5 HH21 ARG 5 -9.558 -3.794 -1.603
31 HH22 ARG 5 HH22 ARG 5 -11.216 -3.448 -1.438
32 HA PRO 6 HA PRO 6 -2.560 -3.650 -0.546
33 HB2 PRO 6 HB2 PRO 6 -5.032 -5.096 -1.431
34 HB3 PRO 6 HB1 PRO 6 -3.453 -5.754 -1.000
35 HG2 PRO 6 HG2 PRO 6 -5.483 -5.976 0.688
36 HG3 PRO 6 HG1 PRO 6 -3.856 -5.606 1.278
37 HD2 PRO 6 HD2 PRO 6 -6.204 -3.818 0.940
38 HD3 PRO 6 HD1 PRO 6 -4.969 -3.828 2.218
39 HA PRO 7 HA PRO 7 -2.171 -4.972 -2.499
40 HB2 PRO 7 HB2 PRO 7 -0.949 -4.940 -4.827
41 HB3 PRO 7 HB1 PRO 7 -2.685 -5.295 -4.713
42 HG2 PRO 7 HG2 PRO 7 -1.366 -2.730 -5.500
43 HG3 PRO 7 HG1 PRO 7 -2.724 -3.564 -6.275
44 HD2 PRO 7 HD2 PRO 7 -2.954 -1.492 -4.426
45 HD3 PRO 7 HD1 PRO 7 -4.238 -2.645 -4.839
46 H CYS 8 HN CYS 8 -1.697 -2.178 -1.806
47 HA CYS 8 HA CYS 8 1.152 -1.743 -2.312
48 HB2 CYS 8 HB2 CYS 8 -0.703 -0.119 -0.569
49 HB3 CYS 8 HB1 CYS 8 0.874 0.387 -1.167
50 H ILE 9 HN ILE 9 -0.253 -3.806 -0.407
51 HA ILE 9 HA ILE 9 0.780 -3.284 2.194
52 HB ILE 9 HB ILE 9 0.298 -5.710 2.602
53 HG12 ILE 9 HG12 ILE 9 -0.937 -5.549 -0.163
54 HG13 ILE 9 HG11 ILE 9 0.493 -6.479 0.268
55 HG21 ILE 9 HG21 ILE 9 -1.252 -3.949 3.232
56 HG22 ILE 9 HG22 ILE 9 -2.148 -5.347 2.643
57 HG23 ILE 9 HG23 ILE 9 -1.936 -3.936 1.606
58 HD11 ILE 9 HD11 ILE 9 -2.287 -6.938 1.336
59 HD12 ILE 9 HD12 ILE 9 -0.854 -7.895 1.709
60 HD13 ILE 9 HD13 ILE 9 -1.495 -7.873 0.070
61 H ALA 10 HN ALA 10 2.122 -4.542 -0.597
62 HA ALA 10 HA ALA 10 4.262 -6.063 0.546
63 HB1 ALA 10 HB1 ALA 10 5.233 -5.958 -1.718
64 HB2 ALA 10 HB2 ALA 10 4.035 -4.749 -2.173
65 HB3 ALA 10 HB3 ALA 10 3.524 -6.389 -1.780
66 H ASN 11 HN ASN 11 6.603 -5.009 -0.545
67 HA ASN 11 HA ASN 11 7.006 -2.805 1.253
68 HB2 ASN 11 HB2 ASN 11 8.994 -4.119 -0.626
69 HB3 ASN 11 HB1 ASN 11 9.398 -2.847 0.521
70 HD21 ASN 11 HD21 ASN 11 8.655 -6.185 0.108
71 HD22 ASN 11 HD22 ASN 11 8.966 -6.665 1.740
72 H ASN 12 HN ASN 12 5.608 -1.417 0.394
73 HA ASN 12 HA ASN 12 6.518 0.052 -1.980
74 HB2 ASN 12 HB2 ASN 12 4.389 -1.239 -2.324
75 HB3 ASN 12 HB1 ASN 12 3.675 -0.376 -0.977
76 HD21 ASN 12 HD21 ASN 12 2.789 -0.538 -3.761
77 HD22 ASN 12 HD22 ASN 12 2.737 1.086 -4.315
78 HA PRO 13 HA PRO 13 6.947 3.296 1.114
79 HB2 PRO 13 HB2 PRO 13 7.202 5.394 -0.610
80 HB3 PRO 13 HB1 PRO 13 8.513 4.260 -0.263
81 HG2 PRO 13 HG2 PRO 13 6.604 4.286 -2.566
82 HG3 PRO 13 HG1 PRO 13 8.363 4.057 -2.574
83 HD2 PRO 13 HD2 PRO 13 6.685 1.987 -2.762
84 HD3 PRO 13 HD1 PRO 13 8.197 1.854 -1.838
85 H ASP 14 HN ASP 14 4.512 3.165 -1.339
86 HA ASP 14 HA ASP 14 3.046 5.436 -0.389
87 HB2 ASP 14 HB2 ASP 14 2.401 3.320 -2.435
88 HB3 ASP 14 HB1 ASP 14 1.250 4.562 -1.964
89 H LEU 15 HN LEU 15 3.463 2.427 0.843
90 HA LEU 15 HA LEU 15 0.771 2.021 1.746
91 HB2 LEU 15 HB2 LEU 15 2.354 0.138 1.514
92 HB3 LEU 15 HB1 LEU 15 3.355 0.838 2.770
93 HG LEU 15 HG LEU 15 1.509 0.528 4.386
94 HD11 LEU 15 HD11 LEU 15 -0.366 -0.920 3.782
95 HD12 LEU 15 HD12 LEU 15 0.152 -0.880 2.096
96 HD13 LEU 15 HD13 LEU 15 -0.385 0.600 2.892
97 HD21 LEU 15 HD21 LEU 15 2.362 -1.960 2.915
98 HD22 LEU 15 HD22 LEU 15 1.702 -1.906 4.550
99 HD23 LEU 15 HD23 LEU 15 3.255 -1.149 4.199
100 H CYS 16 HN CYS 16 -0.027 3.592 2.967
101 HA CYS 16 HA CYS 16 1.583 4.548 5.215
102 HB2 CYS 16 HB2 CYS 16 -0.520 6.129 3.739
103 HB3 CYS 16 HB1 CYS 16 0.561 6.707 4.986
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 2.358 8.400 -2.791
2 H2 GLY 1 HT2 GLY 1 1.528 8.814 -4.228
3 H3 GLY 1 HT3 GLY 1 1.466 7.219 -3.608
4 HA2 GLY 1 HA1 GLY 1 0.388 9.564 -2.236
5 HA3 GLY 1 HA2 GLY 1 -0.547 8.399 -3.176
6 H CYS 2 HN CYS 2 -1.721 7.691 -1.369
7 HA CYS 2 HA CYS 2 -0.151 5.961 0.332
8 HB2 CYS 2 HB2 CYS 2 -2.039 8.075 1.241
9 HB3 CYS 2 HB1 CYS 2 -1.745 6.669 2.241
10 H CYS 3 HN CYS 3 -0.857 4.081 0.438
11 HA CYS 3 HA CYS 3 -3.647 3.438 -0.264
12 HB2 CYS 3 HB2 CYS 3 -1.197 1.767 -0.129
13 HB3 CYS 3 HB1 CYS 3 -2.777 1.162 -0.625
14 H SER 4 HN SER 4 -4.845 2.933 1.529
15 HA SER 4 HA SER 4 -3.531 1.889 3.882
16 HB2 SER 4 HB2 SER 4 -5.960 1.960 4.719
17 HB3 SER 4 HB1 SER 4 -5.218 3.512 4.330
18 HG SER 4 HG SER 4 -7.416 2.470 3.344
19 H ARG 5 HN ARG 5 -5.071 0.894 1.093
20 HA ARG 5 HA ARG 5 -5.693 -1.790 2.079
21 HB2 ARG 5 HB2 ARG 5 -7.261 -1.917 0.177
22 HB3 ARG 5 HB1 ARG 5 -7.623 -0.560 1.226
23 HG2 ARG 5 HG2 ARG 5 -6.507 0.941 -0.361
24 HG3 ARG 5 HG1 ARG 5 -6.206 -0.435 -1.423
25 HD2 ARG 5 HD2 ARG 5 -8.642 -0.821 -1.563
26 HD3 ARG 5 HD1 ARG 5 -8.898 0.597 -0.552
27 HE ARG 5 HE ARG 5 -7.370 1.518 -2.573
28 HH11 ARG 5 HH11 ARG 5 -10.540 -0.048 -2.430
29 HH12 ARG 5 HH12 ARG 5 -11.080 0.606 -3.904
30 HH21 ARG 5 HH21 ARG 5 -8.079 2.390 -4.526
31 HH22 ARG 5 HH22 ARG 5 -9.630 2.055 -5.159
32 HA PRO 6 HA PRO 6 -2.677 -3.735 -0.601
33 HB2 PRO 6 HB2 PRO 6 -4.867 -5.165 -2.046
34 HB3 PRO 6 HB1 PRO 6 -3.455 -5.839 -1.226
35 HG2 PRO 6 HG2 PRO 6 -5.836 -6.043 -0.112
36 HG3 PRO 6 HG1 PRO 6 -4.429 -5.622 0.882
37 HD2 PRO 6 HD2 PRO 6 -6.568 -3.850 -0.220
38 HD3 PRO 6 HD1 PRO 6 -5.863 -3.868 1.411
39 HA PRO 7 HA PRO 7 -1.784 -4.911 -2.211
40 HB2 PRO 7 HB2 PRO 7 -0.163 -4.998 -4.360
41 HB3 PRO 7 HB1 PRO 7 -1.816 -5.642 -4.315
42 HG2 PRO 7 HG2 PRO 7 -0.802 -3.315 -5.789
43 HG3 PRO 7 HG1 PRO 7 -2.313 -4.204 -6.010
44 HD2 PRO 7 HD2 PRO 7 -1.810 -1.749 -4.487
45 HD3 PRO 7 HD1 PRO 7 -3.359 -2.440 -5.006
46 H CYS 8 HN CYS 8 -1.483 -2.093 -1.744
47 HA CYS 8 HA CYS 8 1.371 -1.480 -1.992
48 HB2 CYS 8 HB2 CYS 8 -0.739 0.056 -0.592
49 HB3 CYS 8 HB1 CYS 8 0.819 0.696 -1.126
50 H ILE 9 HN ILE 9 -0.207 -3.411 0.159
51 HA ILE 9 HA ILE 9 0.698 -2.186 2.599
52 HB ILE 9 HB ILE 9 -0.453 -4.988 2.226
53 HG12 ILE 9 HG12 ILE 9 -1.840 -2.414 3.009
54 HG13 ILE 9 HG11 ILE 9 -1.986 -3.209 1.449
55 HG21 ILE 9 HG21 ILE 9 0.750 -4.738 4.339
56 HG22 ILE 9 HG22 ILE 9 -0.989 -4.858 4.616
57 HG23 ILE 9 HG23 ILE 9 -0.189 -3.291 4.712
58 HD11 ILE 9 HD11 ILE 9 -2.869 -4.320 4.100
59 HD12 ILE 9 HD12 ILE 9 -3.004 -5.146 2.548
60 HD13 ILE 9 HD13 ILE 9 -3.913 -3.660 2.841
61 H ALA 10 HN ALA 10 1.902 -4.222 0.253
62 HA ALA 10 HA ALA 10 3.950 -5.579 1.727
63 HB1 ALA 10 HB1 ALA 10 4.759 -6.210 -0.512
64 HB2 ALA 10 HB2 ALA 10 3.603 -5.091 -1.235
65 HB3 ALA 10 HB3 ALA 10 3.027 -6.497 -0.340
66 H ASN 11 HN ASN 11 6.222 -5.100 0.066
67 HA ASN 11 HA ASN 11 7.058 -2.588 1.126
68 HB2 ASN 11 HB2 ASN 11 8.564 -4.515 -0.657
69 HB3 ASN 11 HB1 ASN 11 9.248 -3.020 -0.034
70 HD21 ASN 11 HD21 ASN 11 9.801 -2.884 2.130
71 HD22 ASN 11 HD22 ASN 11 9.856 -4.270 3.160
72 H ASN 12 HN ASN 12 5.717 -1.181 0.207
73 HA ASN 12 HA ASN 12 6.369 -0.318 -2.505
74 HB2 ASN 12 HB2 ASN 12 4.259 -1.619 -2.604
75 HB3 ASN 12 HB1 ASN 12 3.580 -0.614 -1.334
76 HD21 ASN 12 HD21 ASN 12 4.492 -0.774 -4.681
77 HD22 ASN 12 HD22 ASN 12 3.645 0.663 -5.153
78 HA PRO 13 HA PRO 13 6.974 3.507 -0.262
79 HB2 PRO 13 HB2 PRO 13 6.476 5.309 -2.275
80 HB3 PRO 13 HB1 PRO 13 7.994 4.424 -2.091
81 HG2 PRO 13 HG2 PRO 13 5.653 3.812 -3.853
82 HG3 PRO 13 HG1 PRO 13 7.387 3.767 -4.229
83 HD2 PRO 13 HD2 PRO 13 6.033 1.526 -3.716
84 HD3 PRO 13 HD1 PRO 13 7.695 1.742 -3.124
85 H ASP 14 HN ASP 14 3.973 2.889 -1.910
86 HA ASP 14 HA ASP 14 2.605 5.191 -0.815
87 HB2 ASP 14 HB2 ASP 14 1.584 2.847 -2.434
88 HB3 ASP 14 HB1 ASP 14 0.567 4.164 -1.870
89 H LEU 15 HN LEU 15 3.574 2.375 0.473
90 HA LEU 15 HA LEU 15 1.445 1.476 2.020
91 HB2 LEU 15 HB2 LEU 15 3.497 0.230 1.894
92 HB3 LEU 15 HB1 LEU 15 4.405 1.558 2.579
93 HG LEU 15 HG LEU 15 3.218 1.221 4.730
94 HD11 LEU 15 HD11 LEU 15 1.183 0.175 3.831
95 HD12 LEU 15 HD12 LEU 15 1.930 -0.773 5.114
96 HD13 LEU 15 HD13 LEU 15 2.147 -1.253 3.429
97 HD21 LEU 15 HD21 LEU 15 5.404 0.224 4.352
98 HD22 LEU 15 HD22 LEU 15 4.644 -1.203 3.646
99 HD23 LEU 15 HD23 LEU 15 4.402 -0.826 5.352
100 H CYS 16 HN CYS 16 0.206 3.016 2.962
101 HA CYS 16 HA CYS 16 1.472 4.492 5.137
102 HB2 CYS 16 HB2 CYS 16 -0.799 5.429 3.380
103 HB3 CYS 16 HB1 CYS 16 -0.190 6.301 4.779
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 0.620 7.775 -5.449
2 H2 GLY 1 HT2 GLY 1 0.321 6.190 -4.987
3 H3 GLY 1 HT3 GLY 1 1.389 7.098 -4.089
4 HA2 GLY 1 HA1 GLY 1 -0.481 8.553 -3.440
5 HA3 GLY 1 HA2 GLY 1 -1.531 7.430 -4.303
6 H CYS 2 HN CYS 2 -1.090 8.156 -1.373
7 HA CYS 2 HA CYS 2 0.130 6.038 -0.064
8 HB2 CYS 2 HB2 CYS 2 -1.989 7.936 0.804
9 HB3 CYS 2 HB1 CYS 2 -1.363 6.696 1.873
10 H CYS 3 HN CYS 3 -0.342 4.084 0.111
11 HA CYS 3 HA CYS 3 -3.105 3.185 -0.286
12 HB2 CYS 3 HB2 CYS 3 -0.575 1.537 -0.084
13 HB3 CYS 3 HB1 CYS 3 -2.173 0.965 -0.537
14 H SER 4 HN SER 4 -4.191 2.847 1.547
15 HA SER 4 HA SER 4 -2.755 2.345 4.013
16 HB2 SER 4 HB2 SER 4 -5.146 2.476 4.897
17 HB3 SER 4 HB1 SER 4 -4.475 3.958 4.214
18 HG SER 4 HG SER 4 -5.843 3.878 2.643
19 H ARG 5 HN ARG 5 -3.955 0.660 1.442
20 HA ARG 5 HA ARG 5 -4.545 -1.777 2.907
21 HB2 ARG 5 HB2 ARG 5 -6.763 -1.899 1.943
22 HB3 ARG 5 HB1 ARG 5 -6.608 -0.381 2.812
23 HG2 ARG 5 HG2 ARG 5 -5.986 0.624 0.522
24 HG3 ARG 5 HG1 ARG 5 -6.700 -0.844 -0.141
25 HD2 ARG 5 HD2 ARG 5 -8.398 0.826 -0.110
26 HD3 ARG 5 HD1 ARG 5 -8.762 -0.316 1.186
27 HE ARG 5 HE ARG 5 -7.309 1.555 2.460
28 HH11 ARG 5 HH11 ARG 5 -10.182 1.847 0.415
29 HH12 ARG 5 HH12 ARG 5 -10.657 3.335 1.117
30 HH21 ARG 5 HH21 ARG 5 -8.014 3.547 3.399
31 HH22 ARG 5 HH22 ARG 5 -9.426 4.298 2.807
32 HA PRO 6 HA PRO 6 -3.029 -3.831 -0.890
33 HB2 PRO 6 HB2 PRO 6 -5.795 -4.994 -1.074
34 HB3 PRO 6 HB1 PRO 6 -4.236 -5.811 -1.218
35 HG2 PRO 6 HG2 PRO 6 -5.616 -6.028 1.015
36 HG3 PRO 6 HG1 PRO 6 -3.862 -5.788 1.078
37 HD2 PRO 6 HD2 PRO 6 -6.060 -3.853 1.616
38 HD3 PRO 6 HD1 PRO 6 -4.475 -4.005 2.399
39 HA PRO 7 HA PRO 7 -3.390 -5.071 -3.012
40 HB2 PRO 7 HB2 PRO 7 -2.528 -4.797 -5.502
41 HB3 PRO 7 HB1 PRO 7 -4.241 -5.081 -5.124
42 HG2 PRO 7 HG2 PRO 7 -2.885 -2.504 -5.826
43 HG3 PRO 7 HG1 PRO 7 -4.429 -3.145 -6.414
44 HD2 PRO 7 HD2 PRO 7 -4.155 -1.316 -4.344
45 HD3 PRO 7 HD1 PRO 7 -5.570 -2.354 -4.599
46 H CYS 8 HN CYS 8 -2.428 -2.392 -2.212
47 HA CYS 8 HA CYS 8 0.414 -2.592 -2.847
48 HB2 CYS 8 HB2 CYS 8 -0.851 -0.673 -0.879
49 HB3 CYS 8 HB1 CYS 8 0.719 -0.517 -1.655
50 H ILE 9 HN ILE 9 0.220 -4.773 -1.876
51 HA ILE 9 HA ILE 9 0.052 -4.983 1.005
52 HB ILE 9 HB ILE 9 0.743 -7.122 -1.042
53 HG12 ILE 9 HG12 ILE 9 -1.903 -6.504 0.293
54 HG13 ILE 9 HG11 ILE 9 -1.501 -6.122 -1.375
55 HG21 ILE 9 HG21 ILE 9 0.153 -8.717 0.726
56 HG22 ILE 9 HG22 ILE 9 -0.128 -7.382 1.844
57 HG23 ILE 9 HG23 ILE 9 1.496 -7.687 1.226
58 HD11 ILE 9 HD11 ILE 9 -2.885 -8.113 -1.228
59 HD12 ILE 9 HD12 ILE 9 -1.689 -8.883 -0.184
60 HD13 ILE 9 HD13 ILE 9 -1.287 -8.510 -1.861
61 H ALA 10 HN ALA 10 2.475 -4.802 -1.440
62 HA ALA 10 HA ALA 10 4.621 -5.858 0.096
63 HB1 ALA 10 HB1 ALA 10 4.681 -4.210 -2.425
64 HB2 ALA 10 HB2 ALA 10 4.649 -5.972 -2.346
65 HB3 ALA 10 HB3 ALA 10 6.046 -5.086 -1.742
66 H ASN 11 HN ASN 11 6.584 -4.585 0.621
67 HA ASN 11 HA ASN 11 5.846 -2.284 2.113
68 HB2 ASN 11 HB2 ASN 11 8.560 -3.511 1.599
69 HB3 ASN 11 HB1 ASN 11 8.332 -2.070 2.581
70 HD21 ASN 11 HD21 ASN 11 7.203 -2.255 4.534
71 HD22 ASN 11 HD22 ASN 11 7.052 -3.778 5.336
72 H ASN 12 HN ASN 12 5.103 -0.875 0.865
73 HA ASN 12 HA ASN 12 6.685 0.252 -1.337
74 HB2 ASN 12 HB2 ASN 12 4.408 -0.722 -1.756
75 HB3 ASN 12 HB1 ASN 12 3.736 0.457 -0.655
76 HD21 ASN 12 HD21 ASN 12 3.064 -0.018 -3.359
77 HD22 ASN 12 HD22 ASN 12 3.355 1.446 -4.212
78 HA PRO 13 HA PRO 13 7.334 3.892 1.344
79 HB2 PRO 13 HB2 PRO 13 7.301 5.270 -1.307
80 HB3 PRO 13 HB1 PRO 13 8.483 5.395 0.001
81 HG2 PRO 13 HG2 PRO 13 9.062 4.003 -2.178
82 HG3 PRO 13 HG1 PRO 13 9.529 3.399 -0.578
83 HD2 PRO 13 HD2 PRO 13 7.290 2.523 -2.353
84 HD3 PRO 13 HD1 PRO 13 8.351 1.557 -1.305
85 H ASP 14 HN ASP 14 4.906 3.519 -1.096
86 HA ASP 14 HA ASP 14 3.368 5.804 -0.323
87 HB2 ASP 14 HB2 ASP 14 2.780 3.510 -2.172
88 HB3 ASP 14 HB1 ASP 14 1.533 4.661 -1.720
89 H LEU 15 HN LEU 15 3.860 2.943 1.255
90 HA LEU 15 HA LEU 15 1.163 2.592 2.171
91 HB2 LEU 15 HB2 LEU 15 3.738 1.565 3.374
92 HB3 LEU 15 HB1 LEU 15 2.141 1.166 3.963
93 HG LEU 15 HG LEU 15 3.354 0.385 1.326
94 HD11 LEU 15 HD11 LEU 15 2.479 -1.220 3.711
95 HD12 LEU 15 HD12 LEU 15 4.142 -0.900 3.215
96 HD13 LEU 15 HD13 LEU 15 3.090 -1.879 2.194
97 HD21 LEU 15 HD21 LEU 15 0.572 -0.107 2.379
98 HD22 LEU 15 HD22 LEU 15 1.272 -0.865 0.950
99 HD23 LEU 15 HD23 LEU 15 1.016 0.878 0.981
100 H CYS 16 HN CYS 16 0.251 4.149 3.138
101 HA CYS 16 HA CYS 16 1.763 5.579 5.186
102 HB2 CYS 16 HB2 CYS 16 -0.661 6.529 3.640
103 HB3 CYS 16 HB1 CYS 16 0.269 7.478 4.784
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 1.296 7.295 -3.960
2 H2 GLY 1 HT2 GLY 1 0.693 8.508 -4.972
3 H3 GLY 1 HT3 GLY 1 -0.165 7.058 -4.760
4 HA2 GLY 1 HA1 GLY 1 0.379 9.049 -2.658
5 HA3 GLY 1 HA2 GLY 1 -1.179 8.799 -3.439
6 H CYS 2 HN CYS 2 -0.783 8.582 -0.691
7 HA CYS 2 HA CYS 2 -0.043 6.171 0.361
8 HB2 CYS 2 HB2 CYS 2 -2.037 8.164 1.324
9 HB3 CYS 2 HB1 CYS 2 -1.596 6.752 2.262
10 H CYS 3 HN CYS 3 -0.699 4.290 0.229
11 HA CYS 3 HA CYS 3 -3.503 3.595 -0.305
12 HB2 CYS 3 HB2 CYS 3 -1.045 1.863 -0.218
13 HB3 CYS 3 HB1 CYS 3 -2.649 1.339 -0.700
14 H SER 4 HN SER 4 -4.584 3.003 1.555
15 HA SER 4 HA SER 4 -3.012 2.230 3.856
16 HB2 SER 4 HB2 SER 4 -5.368 2.227 4.915
17 HB3 SER 4 HB1 SER 4 -4.692 3.780 4.418
18 HG SER 4 HG SER 4 -6.223 3.992 3.068
19 H ARG 5 HN ARG 5 -4.472 0.830 1.233
20 HA ARG 5 HA ARG 5 -4.848 -1.785 2.549
21 HB2 ARG 5 HB2 ARG 5 -6.753 -2.168 1.109
22 HB3 ARG 5 HB1 ARG 5 -6.976 -0.617 1.901
23 HG2 ARG 5 HG2 ARG 5 -6.029 0.451 -0.173
24 HG3 ARG 5 HG1 ARG 5 -6.121 -1.128 -0.929
25 HD2 ARG 5 HD2 ARG 5 -8.440 0.433 0.198
26 HD3 ARG 5 HD1 ARG 5 -8.041 0.217 -1.505
27 HE ARG 5 HE ARG 5 -8.487 -2.209 -0.009
28 HH11 ARG 5 HH11 ARG 5 -9.918 0.248 -2.149
29 HH12 ARG 5 HH12 ARG 5 -11.242 -0.754 -2.566
30 HH21 ARG 5 HH21 ARG 5 -10.317 -3.502 -0.559
31 HH22 ARG 5 HH22 ARG 5 -11.468 -2.901 -1.665
32 HA PRO 6 HA PRO 6 -2.317 -3.750 -0.718
33 HB2 PRO 6 HB2 PRO 6 -4.799 -5.252 -1.453
34 HB3 PRO 6 HB1 PRO 6 -3.172 -5.863 -1.141
35 HG2 PRO 6 HG2 PRO 6 -5.045 -6.163 0.689
36 HG3 PRO 6 HG1 PRO 6 -3.404 -5.696 1.168
37 HD2 PRO 6 HD2 PRO 6 -5.865 -4.031 0.954
38 HD3 PRO 6 HD1 PRO 6 -4.560 -3.965 2.158
39 HA PRO 7 HA PRO 7 -1.895 -5.009 -2.619
40 HB2 PRO 7 HB2 PRO 7 -0.622 -4.484 -5.066
41 HB3 PRO 7 HB1 PRO 7 -1.885 -5.672 -4.715
42 HG2 PRO 7 HG2 PRO 7 -2.162 -3.402 -6.379
43 HG3 PRO 7 HG1 PRO 7 -3.461 -4.448 -5.794
44 HD2 PRO 7 HD2 PRO 7 -2.511 -1.826 -4.721
45 HD3 PRO 7 HD1 PRO 7 -4.158 -2.493 -4.782
46 H CYS 8 HN CYS 8 -1.642 -2.132 -2.127
47 HA CYS 8 HA CYS 8 1.243 -1.615 -2.348
48 HB2 CYS 8 HB2 CYS 8 -0.764 -0.009 -0.779
49 HB3 CYS 8 HB1 CYS 8 0.800 0.544 -1.361
50 H ILE 9 HN ILE 9 -0.322 -3.663 -0.568
51 HA ILE 9 HA ILE 9 0.296 -2.962 2.153
52 HB ILE 9 HB ILE 9 -1.639 -4.372 1.415
53 HG12 ILE 9 HG12 ILE 9 -1.491 -6.038 3.296
54 HG13 ILE 9 HG11 ILE 9 0.191 -5.567 3.501
55 HG21 ILE 9 HG21 ILE 9 -1.298 -6.793 1.067
56 HG22 ILE 9 HG22 ILE 9 0.442 -6.497 1.006
57 HG23 ILE 9 HG23 ILE 9 -0.619 -5.779 -0.207
58 HD11 ILE 9 HD11 ILE 9 -1.274 -4.482 5.108
59 HD12 ILE 9 HD12 ILE 9 -2.184 -3.741 3.791
60 HD13 ILE 9 HD13 ILE 9 -0.495 -3.304 4.056
61 H ALA 10 HN ALA 10 1.822 -4.394 -0.407
62 HA ALA 10 HA ALA 10 3.808 -5.968 0.945
63 HB1 ALA 10 HB1 ALA 10 3.851 -4.800 -1.844
64 HB2 ALA 10 HB2 ALA 10 3.182 -6.366 -1.406
65 HB3 ALA 10 HB3 ALA 10 4.912 -6.073 -1.239
66 H ASN 11 HN ASN 11 6.257 -5.156 -0.006
67 HA ASN 11 HA ASN 11 6.781 -2.800 1.525
68 HB2 ASN 11 HB2 ASN 11 8.583 -4.428 -0.286
69 HB3 ASN 11 HB1 ASN 11 9.142 -3.022 0.614
70 HD21 ASN 11 HD21 ASN 11 9.339 -3.188 2.857
71 HD22 ASN 11 HD22 ASN 11 9.367 -4.715 3.649
72 H ASN 12 HN ASN 12 5.607 -1.266 0.669
73 HA ASN 12 HA ASN 12 6.457 -0.212 -1.918
74 HB2 ASN 12 HB2 ASN 12 4.339 -1.466 -2.201
75 HB3 ASN 12 HB1 ASN 12 3.602 -0.494 -0.938
76 HD21 ASN 12 HD21 ASN 12 4.730 -0.544 -4.221
77 HD22 ASN 12 HD22 ASN 12 3.932 0.911 -4.702
78 HA PRO 13 HA PRO 13 7.014 3.416 0.583
79 HB2 PRO 13 HB2 PRO 13 6.944 5.287 -1.415
80 HB3 PRO 13 HB1 PRO 13 8.352 4.294 -1.029
81 HG2 PRO 13 HG2 PRO 13 6.288 3.907 -3.165
82 HG3 PRO 13 HG1 PRO 13 8.047 3.711 -3.268
83 HD2 PRO 13 HD2 PRO 13 6.413 1.607 -3.035
84 HD3 PRO 13 HD1 PRO 13 7.997 1.636 -2.229
85 H ASP 14 HN ASP 14 4.245 3.030 -1.485
86 HA ASP 14 HA ASP 14 3.003 5.460 -0.531
87 HB2 ASP 14 HB2 ASP 14 2.034 3.332 -2.430
88 HB3 ASP 14 HB1 ASP 14 1.050 4.697 -1.920
89 H LEU 15 HN LEU 15 3.378 2.458 0.729
90 HA LEU 15 HA LEU 15 0.741 2.159 1.783
91 HB2 LEU 15 HB2 LEU 15 2.248 0.232 1.533
92 HB3 LEU 15 HB1 LEU 15 3.332 0.934 2.716
93 HG LEU 15 HG LEU 15 1.553 0.733 4.429
94 HD11 LEU 15 HD11 LEU 15 -0.415 0.794 3.039
95 HD12 LEU 15 HD12 LEU 15 -0.388 -0.714 3.958
96 HD13 LEU 15 HD13 LEU 15 0.057 -0.711 2.254
97 HD21 LEU 15 HD21 LEU 15 1.694 -1.696 4.672
98 HD22 LEU 15 HD22 LEU 15 3.246 -0.982 4.239
99 HD23 LEU 15 HD23 LEU 15 2.289 -1.822 3.016
100 H CYS 16 HN CYS 16 0.009 3.689 3.005
101 HA CYS 16 HA CYS 16 1.727 4.766 5.099
102 HB2 CYS 16 HB2 CYS 16 -0.744 5.979 3.843
103 HB3 CYS 16 HB1 CYS 16 0.203 6.713 5.128
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 1.733 7.459 -3.466
2 H2 GLY 1 HT2 GLY 1 2.420 8.627 -2.483
3 H3 GLY 1 HT3 GLY 1 1.819 9.072 -4.008
4 HA2 GLY 1 HA1 GLY 1 0.312 9.720 -2.228
5 HA3 GLY 1 HA2 GLY 1 -0.409 8.454 -3.226
6 H CYS 2 HN CYS 2 -1.713 7.811 -1.400
7 HA CYS 2 HA CYS 2 -0.187 6.131 0.398
8 HB2 CYS 2 HB2 CYS 2 -2.263 8.131 1.228
9 HB3 CYS 2 HB1 CYS 2 -1.834 6.759 2.236
10 H CYS 3 HN CYS 3 -0.858 4.223 0.452
11 HA CYS 3 HA CYS 3 -3.594 3.521 -0.374
12 HB2 CYS 3 HB2 CYS 3 -1.164 1.779 -0.038
13 HB3 CYS 3 HB1 CYS 3 -2.722 1.262 -0.648
14 H SER 4 HN SER 4 -4.860 3.090 1.427
15 HA SER 4 HA SER 4 -3.588 1.913 3.748
16 HB2 SER 4 HB2 SER 4 -5.942 1.996 4.667
17 HB3 SER 4 HB1 SER 4 -5.313 3.575 4.201
18 HG SER 4 HG SER 4 -7.390 2.111 3.169
19 H ARG 5 HN ARG 5 -5.182 1.210 0.901
20 HA ARG 5 HA ARG 5 -6.157 -1.444 1.499
21 HB2 ARG 5 HB2 ARG 5 -6.794 -1.441 -0.889
22 HB3 ARG 5 HB1 ARG 5 -7.427 -0.045 -0.022
23 HG2 ARG 5 HG2 ARG 5 -5.798 1.392 -1.011
24 HG3 ARG 5 HG1 ARG 5 -4.905 0.025 -1.656
25 HD2 ARG 5 HD2 ARG 5 -7.725 0.690 -2.472
26 HD3 ARG 5 HD1 ARG 5 -6.306 1.296 -3.321
27 HE ARG 5 HE ARG 5 -6.616 -1.589 -2.960
28 HH11 ARG 5 HH11 ARG 5 -6.545 1.192 -5.189
29 HH12 ARG 5 HH12 ARG 5 -6.480 0.216 -6.578
30 HH21 ARG 5 HH21 ARG 5 -6.496 -2.875 -4.878
31 HH22 ARG 5 HH22 ARG 5 -6.453 -2.137 -6.419
32 HA PRO 6 HA PRO 6 -2.627 -3.612 -0.353
33 HB2 PRO 6 HB2 PRO 6 -3.953 -5.746 -1.407
34 HB3 PRO 6 HB1 PRO 6 -3.618 -5.623 0.322
35 HG2 PRO 6 HG2 PRO 6 -6.135 -4.998 -1.169
36 HG3 PRO 6 HG1 PRO 6 -5.934 -5.861 0.368
37 HD2 PRO 6 HD2 PRO 6 -6.677 -3.275 0.267
38 HD3 PRO 6 HD1 PRO 6 -5.658 -3.915 1.571
39 HA PRO 7 HA PRO 7 -1.785 -5.155 -1.857
40 HB2 PRO 7 HB2 PRO 7 -0.298 -5.572 -3.986
41 HB3 PRO 7 HB1 PRO 7 -2.004 -6.070 -3.867
42 HG2 PRO 7 HG2 PRO 7 -0.833 -3.809 -5.418
43 HG3 PRO 7 HG1 PRO 7 -2.201 -4.858 -5.825
44 HD2 PRO 7 HD2 PRO 7 -2.261 -2.295 -4.556
45 HD3 PRO 7 HD1 PRO 7 -3.633 -3.365 -4.908
46 H CYS 8 HN CYS 8 -1.553 -2.342 -1.537
47 HA CYS 8 HA CYS 8 1.247 -1.701 -2.036
48 HB2 CYS 8 HB2 CYS 8 -0.825 -0.133 -0.514
49 HB3 CYS 8 HB1 CYS 8 0.754 0.470 -0.997
50 H ILE 9 HN ILE 9 -0.085 -3.701 0.133
51 HA ILE 9 HA ILE 9 0.993 -2.635 2.586
52 HB ILE 9 HB ILE 9 -0.185 -5.413 2.111
53 HG12 ILE 9 HG12 ILE 9 -1.535 -2.911 3.150
54 HG13 ILE 9 HG11 ILE 9 -1.736 -3.546 1.524
55 HG21 ILE 9 HG21 ILE 9 0.214 -3.834 4.656
56 HG22 ILE 9 HG22 ILE 9 1.151 -5.243 4.161
57 HG23 ILE 9 HG23 ILE 9 -0.567 -5.411 4.527
58 HD11 ILE 9 HD11 ILE 9 -2.509 -4.935 4.077
59 HD12 ILE 9 HD12 ILE 9 -2.723 -5.579 2.450
60 HD13 ILE 9 HD13 ILE 9 -3.608 -4.137 2.952
61 H ALA 10 HN ALA 10 2.135 -4.510 0.030
62 HA ALA 10 HA ALA 10 4.273 -5.857 1.425
63 HB1 ALA 10 HB1 ALA 10 3.359 -6.745 -0.679
64 HB2 ALA 10 HB2 ALA 10 5.072 -6.375 -0.863
65 HB3 ALA 10 HB3 ALA 10 3.859 -5.280 -1.521
66 H ASN 11 HN ASN 11 6.522 -5.192 -0.221
67 HA ASN 11 HA ASN 11 7.171 -2.643 0.892
68 HB2 ASN 11 HB2 ASN 11 8.755 -4.490 -0.897
69 HB3 ASN 11 HB1 ASN 11 9.324 -2.867 -0.537
70 HD21 ASN 11 HD21 ASN 11 8.745 -6.030 0.725
71 HD22 ASN 11 HD22 ASN 11 9.598 -5.817 2.206
72 H ASN 12 HN ASN 12 5.720 -1.354 0.153
73 HA ASN 12 HA ASN 12 6.125 -0.299 -2.532
74 HB2 ASN 12 HB2 ASN 12 4.074 -1.614 -2.587
75 HB3 ASN 12 HB1 ASN 12 3.503 -0.846 -1.113
76 HD21 ASN 12 HD21 ASN 12 3.907 -0.515 -4.548
77 HD22 ASN 12 HD22 ASN 12 2.964 0.927 -4.664
78 HA PRO 13 HA PRO 13 6.755 3.198 0.178
79 HB2 PRO 13 HB2 PRO 13 6.627 5.000 -2.105
80 HB3 PRO 13 HB1 PRO 13 8.017 4.555 -1.120
81 HG2 PRO 13 HG2 PRO 13 7.734 3.745 -3.694
82 HG3 PRO 13 HG1 PRO 13 8.588 2.792 -2.470
83 HD2 PRO 13 HD2 PRO 13 5.813 2.455 -3.539
84 HD3 PRO 13 HD1 PRO 13 7.053 1.234 -3.166
85 H ASP 14 HN ASP 14 3.907 2.836 -1.638
86 HA ASP 14 HA ASP 14 2.741 5.352 -0.732
87 HB2 ASP 14 HB2 ASP 14 1.547 3.109 -2.376
88 HB3 ASP 14 HB1 ASP 14 0.702 4.584 -1.932
89 H LEU 15 HN LEU 15 3.263 2.388 0.586
90 HA LEU 15 HA LEU 15 0.779 2.025 1.893
91 HB2 LEU 15 HB2 LEU 15 2.438 0.234 1.701
92 HB3 LEU 15 HB1 LEU 15 3.528 1.130 2.738
93 HG LEU 15 HG LEU 15 1.929 0.919 4.591
94 HD11 LEU 15 HD11 LEU 15 0.061 -0.691 4.398
95 HD12 LEU 15 HD12 LEU 15 0.318 -0.724 2.647
96 HD13 LEU 15 HD13 LEU 15 -0.150 0.772 3.444
97 HD21 LEU 15 HD21 LEU 15 2.260 -1.488 4.986
98 HD22 LEU 15 HD22 LEU 15 3.713 -0.690 4.384
99 HD23 LEU 15 HD23 LEU 15 2.743 -1.681 3.298
100 H CYS 16 HN CYS 16 -0.026 3.621 3.038
101 HA CYS 16 HA CYS 16 1.706 4.882 5.025
102 HB2 CYS 16 HB2 CYS 16 -0.855 5.928 3.791
103 HB3 CYS 16 HB1 CYS 16 0.047 6.746 5.060
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 1.841 8.616 -4.346
2 H2 GLY 1 HT2 GLY 1 1.756 7.075 -3.631
3 H3 GLY 1 HT3 GLY 1 2.472 8.346 -2.792
4 HA2 GLY 1 HA1 GLY 1 0.382 9.444 -2.578
5 HA3 GLY 1 HA2 GLY 1 -0.369 8.135 -3.488
6 H CYS 2 HN CYS 2 -1.666 7.749 -1.594
7 HA CYS 2 HA CYS 2 -0.222 6.131 0.317
8 HB2 CYS 2 HB2 CYS 2 -2.119 8.342 0.901
9 HB3 CYS 2 HB1 CYS 2 -1.859 7.061 2.067
10 H CYS 3 HN CYS 3 -0.935 4.286 0.353
11 HA CYS 3 HA CYS 3 -3.663 3.600 -0.472
12 HB2 CYS 3 HB2 CYS 3 -1.301 1.813 0.094
13 HB3 CYS 3 HB1 CYS 3 -2.817 1.326 -0.651
14 H SER 4 HN SER 4 -5.092 2.968 1.096
15 HA SER 4 HA SER 4 -4.150 2.703 3.808
16 HB2 SER 4 HB2 SER 4 -6.697 2.626 4.144
17 HB3 SER 4 HB1 SER 4 -5.981 4.140 3.581
18 HG SER 4 HG SER 4 -7.717 2.458 2.330
19 H ARG 5 HN ARG 5 -4.608 0.740 1.191
20 HA ARG 5 HA ARG 5 -4.864 -1.655 2.775
21 HB2 ARG 5 HB2 ARG 5 -6.771 -2.508 1.482
22 HB3 ARG 5 HB1 ARG 5 -7.204 -0.990 2.243
23 HG2 ARG 5 HG2 ARG 5 -6.894 0.183 0.161
24 HG3 ARG 5 HG1 ARG 5 -6.354 -1.311 -0.612
25 HD2 ARG 5 HD2 ARG 5 -8.550 -2.302 -0.168
26 HD3 ARG 5 HD1 ARG 5 -9.082 -0.780 0.549
27 HE ARG 5 HE ARG 5 -8.042 -0.530 -2.104
28 HH11 ARG 5 HH11 ARG 5 -10.980 -1.167 -0.203
29 HH12 ARG 5 HH12 ARG 5 -12.042 -0.711 -1.454
30 HH21 ARG 5 HH21 ARG 5 -9.556 0.078 -3.820
31 HH22 ARG 5 HH22 ARG 5 -11.235 0.008 -3.507
32 HA PRO 6 HA PRO 6 -2.226 -3.563 -0.386
33 HB2 PRO 6 HB2 PRO 6 -4.545 -5.335 -1.045
34 HB3 PRO 6 HB1 PRO 6 -2.865 -5.772 -0.739
35 HG2 PRO 6 HG2 PRO 6 -4.677 -6.170 1.132
36 HG3 PRO 6 HG1 PRO 6 -3.073 -5.545 1.560
37 HD2 PRO 6 HD2 PRO 6 -5.682 -4.152 1.388
38 HD3 PRO 6 HD1 PRO 6 -4.334 -3.885 2.513
39 HA PRO 7 HA PRO 7 -1.775 -4.993 -2.242
40 HB2 PRO 7 HB2 PRO 7 -0.617 -5.021 -4.582
41 HB3 PRO 7 HB1 PRO 7 -2.309 -5.525 -4.380
42 HG2 PRO 7 HG2 PRO 7 -1.260 -2.929 -5.426
43 HG3 PRO 7 HG1 PRO 7 -2.552 -3.952 -6.077
44 HD2 PRO 7 HD2 PRO 7 -2.921 -1.758 -4.378
45 HD3 PRO 7 HD1 PRO 7 -4.113 -3.041 -4.676
46 H CYS 8 HN CYS 8 -1.533 -2.153 -1.691
47 HA CYS 8 HA CYS 8 1.301 -1.604 -2.190
48 HB2 CYS 8 HB2 CYS 8 -0.630 -0.036 -0.479
49 HB3 CYS 8 HB1 CYS 8 0.932 0.526 -1.070
50 H ILE 9 HN ILE 9 -0.117 -3.679 -0.258
51 HA ILE 9 HA ILE 9 0.911 -3.058 2.343
52 HB ILE 9 HB ILE 9 -1.142 -4.371 1.909
53 HG12 ILE 9 HG12 ILE 9 -0.784 -6.112 3.678
54 HG13 ILE 9 HG11 ILE 9 0.938 -5.768 3.599
55 HG21 ILE 9 HG21 ILE 9 -0.992 -6.778 1.402
56 HG22 ILE 9 HG22 ILE 9 0.731 -6.564 1.088
57 HG23 ILE 9 HG23 ILE 9 -0.457 -5.741 0.078
58 HD11 ILE 9 HD11 ILE 9 0.522 -3.484 4.348
59 HD12 ILE 9 HD12 ILE 9 -0.118 -4.661 5.491
60 HD13 ILE 9 HD13 ILE 9 -1.210 -3.815 4.395
61 H ALA 10 HN ALA 10 2.046 -4.542 -0.396
62 HA ALA 10 HA ALA 10 4.231 -6.078 0.687
63 HB1 ALA 10 HB1 ALA 10 3.394 -6.529 -1.576
64 HB2 ALA 10 HB2 ALA 10 5.092 -6.073 -1.640
65 HB3 ALA 10 HB3 ALA 10 3.850 -4.903 -2.079
66 H ASN 11 HN ASN 11 6.523 -5.168 -0.608
67 HA ASN 11 HA ASN 11 7.099 -2.865 0.995
68 HB2 ASN 11 HB2 ASN 11 8.944 -4.298 -0.957
69 HB3 ASN 11 HB1 ASN 11 9.431 -3.040 0.166
70 HD21 ASN 11 HD21 ASN 11 10.448 -5.724 0.007
71 HD22 ASN 11 HD22 ASN 11 10.117 -6.463 1.526
72 H ASN 12 HN ASN 12 5.710 -1.477 0.138
73 HA ASN 12 HA ASN 12 6.618 -0.049 -2.246
74 HB2 ASN 12 HB2 ASN 12 4.629 -1.436 -2.850
75 HB3 ASN 12 HB1 ASN 12 3.725 -0.692 -1.544
76 HD21 ASN 12 HD21 ASN 12 3.190 -0.768 -4.433
77 HD22 ASN 12 HD22 ASN 12 3.068 0.883 -4.918
78 HA PRO 13 HA PRO 13 6.670 3.162 0.933
79 HB2 PRO 13 HB2 PRO 13 6.707 4.941 -1.432
80 HB3 PRO 13 HB1 PRO 13 7.813 4.871 -0.057
81 HG2 PRO 13 HG2 PRO 13 8.531 3.935 -2.438
82 HG3 PRO 13 HG1 PRO 13 9.020 3.108 -0.947
83 HD2 PRO 13 HD2 PRO 13 6.895 2.378 -2.917
84 HD3 PRO 13 HD1 PRO 13 8.014 1.346 -2.002
85 H ASP 14 HN ASP 14 4.331 2.928 -1.615
86 HA ASP 14 HA ASP 14 2.701 5.165 -0.919
87 HB2 ASP 14 HB2 ASP 14 2.188 2.704 -2.562
88 HB3 ASP 14 HB1 ASP 14 0.872 3.783 -2.140
89 H LEU 15 HN LEU 15 3.217 2.356 0.749
90 HA LEU 15 HA LEU 15 0.546 2.073 1.754
91 HB2 LEU 15 HB2 LEU 15 2.218 0.211 1.690
92 HB3 LEU 15 HB1 LEU 15 3.098 1.027 2.966
93 HG LEU 15 HG LEU 15 1.074 0.831 4.401
94 HD11 LEU 15 HD11 LEU 15 -0.636 0.585 2.731
95 HD12 LEU 15 HD12 LEU 15 -0.620 -0.849 3.762
96 HD13 LEU 15 HD13 LEU 15 0.096 -0.911 2.154
97 HD21 LEU 15 HD21 LEU 15 1.386 -1.563 4.882
98 HD22 LEU 15 HD22 LEU 15 2.901 -0.696 4.677
99 HD23 LEU 15 HD23 LEU 15 2.298 -1.728 3.377
100 H CYS 16 HN CYS 16 -0.254 3.760 2.828
101 HA CYS 16 HA CYS 16 1.388 4.935 4.954
102 HB2 CYS 16 HB2 CYS 16 -0.939 6.177 3.493
103 HB3 CYS 16 HB1 CYS 16 -0.002 6.951 4.755