Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
17157 | 2bc8 RC | 6896 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 H GLY 1 -8.741 3.211 1.692
2 1HA GLY 1 2HA GLY 1 -9.904 1.420 0.504
3 2HA GLY 1 1HA GLY 1 -9.721 2.800 -0.570
4 1HN SEC 2 H SEC 2 -6.920 2.516 -0.989
5 HA SEC 2 HA SEC 2 -6.950 0.228 -2.819
6 1HB SEC 2 1HB SEC 2 -5.060 2.602 -2.662
7 2HB SEC 2 2HB SEC 2 -6.400 2.436 -3.797
8 1HN SEC 3 H SEC 3 -6.813 -0.599 -0.349
9 HA SEC 3 HA SEC 3 -4.035 -0.746 0.498
10 1HB SEC 3 1HB SEC 3 -6.166 -2.179 1.946
11 2HB SEC 3 2HB SEC 3 -6.304 -0.421 1.886
12 H SER 4 H SER 4 -5.600 -2.335 -1.718
13 HA SER 4 HA SER 4 -5.032 -5.066 -0.937
14 1HB SER 4 2HB SER 4 -6.087 -4.066 -3.582
15 2HB SER 4 1HB SER 4 -6.193 -5.704 -2.936
16 HG SER 4 HG SER 4 -7.972 -5.103 -2.019
17 H ASP 5 H ASP 5 -2.742 -3.211 -1.409
18 HA ASP 5 HA ASP 5 -1.205 -5.012 -3.084
19 1HB ASP 5 2HB ASP 5 -1.943 -3.427 -4.779
20 2HB ASP 5 1HB ASP 5 -1.458 -2.072 -3.770
21 HA PRO 6 HA PRO 6 1.749 -4.267 0.129
22 1HB PRO 6 2HB PRO 6 4.058 -4.451 -1.427
23 2HB PRO 6 1HB PRO 6 3.228 -5.798 -0.644
24 1HG PRO 6 2HG PRO 6 3.056 -4.848 -3.469
25 2HG PRO 6 1HG PRO 6 3.046 -6.505 -2.837
26 1HD PRO 6 2HD PRO 6 0.791 -5.333 -3.656
27 2HD PRO 6 1HD PRO 6 0.803 -6.389 -2.228
28 H ARG 7 H ARG 7 1.937 -2.440 -2.882
29 HA ARG 7 HA ARG 7 3.453 -0.311 -1.521
30 1HB ARG 7 2HB ARG 7 2.837 -0.797 -4.422
31 2HB ARG 7 1HB ARG 7 3.624 0.646 -3.801
32 1HG ARG 7 2HG ARG 7 5.580 -0.376 -3.541
33 2HG ARG 7 1HG ARG 7 4.836 -1.848 -2.914
34 1HD ARG 7 2HD ARG 7 5.184 -1.026 -5.792
35 2HD ARG 7 1HD ARG 7 5.855 -2.440 -4.981
36 HE ARG 7 HE ARG 7 3.007 -2.478 -4.894
37 1HH1 ARG 7 1HH1 ARG 7 5.703 -3.031 -7.061
38 2HH1 ARG 7 2HH1 ARG 7 4.833 -4.138 -8.068
39 1HH2 ARG 7 1HH2 ARG 7 1.846 -3.943 -6.202
40 2HH2 ARG 7 2HH2 ARG 7 2.635 -4.655 -7.582
41 1HN SEC 8 H SEC 8 0.518 -1.029 -1.475
42 HA SEC 8 HA SEC 8 -0.433 1.707 -1.831
43 1HB SEC 8 1HB SEC 8 -2.499 -0.281 -2.387
44 2HB SEC 8 2HB SEC 8 -1.148 -0.374 -3.519
45 H ALA 9 H ALA 9 -0.101 -1.093 -0.008
46 HA ALA 9 HA ALA 9 -2.286 -0.897 1.764
47 1HB ALA 9 1HB ALA 9 -1.296 -2.597 2.902
48 2HB ALA 9 2HB ALA 9 0.293 -1.833 2.858
49 3HB ALA 9 3HB ALA 9 -0.305 -2.707 1.447
50 H TRP 10 H TRP 10 0.979 0.397 1.728
51 HA TRP 10 HA TRP 10 0.352 2.074 4.007
52 1HB TRP 10 2HB TRP 10 2.757 2.948 3.541
53 2HB TRP 10 1HB TRP 10 2.504 1.412 4.335
54 HD1 TRP 10 HD TRP 10 4.012 -0.412 3.544
55 HE1 TRP 10 1HE TRP 10 5.440 -0.894 1.469
56 HE3 TRP 10 3HE TRP 10 2.545 3.504 0.564
57 HZ2 TRP 10 2HZ TRP 10 5.914 0.227 -1.060
58 HZ3 TRP 10 3HZ TRP 10 3.559 3.728 -1.651
59 HH2 TRP 10 HH TRP 10 5.204 2.117 -2.454
60 H ARG 11 H ARG 11 -1.157 2.400 1.739
61 HA ARG 11 HA ARG 11 -0.631 5.209 1.165
62 1HB ARG 11 2HB ARG 11 0.170 3.713 -0.751
63 2HB ARG 11 1HB ARG 11 -1.523 3.318 -1.013
64 1HG ARG 11 2HG ARG 11 -1.908 5.828 -1.203
65 2HG ARG 11 1HG ARG 11 -0.154 5.967 -1.327
66 1HD ARG 11 2HD ARG 11 -2.010 4.466 -3.164
67 2HD ARG 11 1HD ARG 11 -1.074 5.910 -3.540
68 HE ARG 11 HE ARG 11 0.653 3.819 -2.743
69 1HH1 ARG 11 1HH1 ARG 11 -1.370 4.823 -5.413
70 2HH1 ARG 11 2HH1 ARG 11 -0.476 3.936 -6.599
71 1HH2 ARG 11 1HH2 ARG 11 1.831 2.625 -4.296
72 2HH2 ARG 11 2HH2 ARG 11 1.356 2.683 -5.963
73 1HN SEC 12 H SEC 12 -2.667 2.686 2.049
74 HA SEC 12 HA SEC 12 -5.161 3.879 1.222
75 1HB SEC 12 1HB SEC 12 -4.676 1.355 1.372
76 2HB SEC 12 2HB SEC 12 -6.199 1.916 2.064
Start of MODEL 2
1 1H GLY 1 H GLY 1 -8.880 3.691 0.848
2 1HA GLY 1 2HA GLY 1 -10.070 1.804 -0.244
3 2HA GLY 1 1HA GLY 1 -9.641 3.055 -1.402
4 1HN SEC 2 H SEC 2 -6.827 2.490 -1.367
5 HA SEC 2 HA SEC 2 -6.832 0.064 -2.997
6 1HB SEC 2 1HB SEC 2 -4.599 2.103 -2.766
7 2HB SEC 2 2HB SEC 2 -5.908 2.257 -3.940
8 1HN SEC 3 H SEC 3 -7.127 -0.745 -0.669
9 HA SEC 3 HA SEC 3 -4.609 -0.887 0.783
10 1HB SEC 3 1HB SEC 3 -7.023 -2.277 1.738
11 2HB SEC 3 2HB SEC 3 -7.127 -0.519 1.626
12 H SER 4 H SER 4 -5.517 -2.491 -1.726
13 HA SER 4 HA SER 4 -4.938 -5.170 -0.674
14 1HB SER 4 2HB SER 4 -6.223 -4.463 -3.312
15 2HB SER 4 1HB SER 4 -6.094 -6.068 -2.592
16 HG SER 4 HG SER 4 -7.373 -5.240 -0.834
17 H ASP 5 H ASP 5 -2.790 -3.248 -1.336
18 HA ASP 5 HA ASP 5 -1.239 -5.058 -2.989
19 1HB ASP 5 2HB ASP 5 -2.095 -3.634 -4.750
20 2HB ASP 5 1HB ASP 5 -1.675 -2.186 -3.855
21 HA PRO 6 HA PRO 6 1.857 -4.086 0.013
22 1HB PRO 6 2HB PRO 6 3.747 -4.187 -2.288
23 2HB PRO 6 1HB PRO 6 3.820 -5.025 -0.735
24 1HG PRO 6 2HG PRO 6 3.098 -6.330 -2.933
25 2HG PRO 6 1HG PRO 6 2.291 -6.646 -1.386
26 1HD PRO 6 2HD PRO 6 1.329 -5.094 -3.746
27 2HD PRO 6 1HD PRO 6 0.420 -6.128 -2.626
28 H ARG 7 H ARG 7 1.931 -2.337 -3.064
29 HA ARG 7 HA ARG 7 3.375 -0.090 -1.856
30 1HB ARG 7 2HB ARG 7 2.415 -0.634 -4.655
31 2HB ARG 7 1HB ARG 7 3.178 0.865 -4.149
32 1HG ARG 7 2HG ARG 7 5.221 -0.033 -4.092
33 2HG ARG 7 1HG ARG 7 4.638 -1.575 -3.461
34 1HD ARG 7 2HD ARG 7 4.573 -0.612 -6.317
35 2HD ARG 7 1HD ARG 7 5.480 -1.977 -5.665
36 HE ARG 7 HE ARG 7 2.675 -2.299 -5.235
37 1HH1 ARG 7 1HH1 ARG 7 5.140 -2.537 -7.711
38 2HH1 ARG 7 2HH1 ARG 7 4.271 -3.709 -8.644
39 1HH2 ARG 7 1HH2 ARG 7 1.520 -3.852 -6.442
40 2HH2 ARG 7 2HH2 ARG 7 2.207 -4.454 -7.925
41 1HN SEC 8 H SEC 8 0.548 -1.019 -1.467
42 HA SEC 8 HA SEC 8 -0.719 1.602 -1.734
43 1HB SEC 8 1HB SEC 8 -2.839 -0.047 -1.890
44 2HB SEC 8 2HB SEC 8 -1.615 -1.060 -2.640
45 H ALA 9 H ALA 9 0.021 -1.159 0.149
46 HA ALA 9 HA ALA 9 -1.911 -0.927 2.181
47 1HB ALA 9 1HB ALA 9 0.089 -1.976 3.559
48 2HB ALA 9 2HB ALA 9 0.761 -2.209 1.943
49 3HB ALA 9 3HB ALA 9 -0.799 -2.918 2.360
50 H TRP 10 H TRP 10 1.155 0.605 1.550
51 HA TRP 10 HA TRP 10 0.802 2.260 3.920
52 1HB TRP 10 2HB TRP 10 3.090 3.221 3.149
53 2HB TRP 10 1HB TRP 10 3.009 1.693 3.992
54 HD1 TRP 10 HD TRP 10 4.446 -0.116 3.031
55 HE1 TRP 10 1HE TRP 10 5.648 -0.561 0.810
56 HE3 TRP 10 3HE TRP 10 2.556 3.758 0.246
57 HZ2 TRP 10 2HZ TRP 10 5.807 0.571 -1.754
58 HZ3 TRP 10 3HZ TRP 10 3.309 4.009 -2.070
59 HH2 TRP 10 HH TRP 10 4.896 2.442 -3.055
60 H ARG 11 H ARG 11 -1.006 2.465 1.899
61 HA ARG 11 HA ARG 11 -0.647 5.259 1.124
62 1HB ARG 11 2HB ARG 11 -0.190 3.674 -0.834
63 2HB ARG 11 1HB ARG 11 -1.897 3.255 -0.759
64 1HG ARG 11 2HG ARG 11 -2.410 5.690 -1.047
65 2HG ARG 11 1HG ARG 11 -0.692 5.944 -1.357
66 1HD ARG 11 2HD ARG 11 -2.625 4.278 -2.956
67 2HD ARG 11 1HD ARG 11 -1.810 5.756 -3.461
68 HE ARG 11 HE ARG 11 0.064 3.728 -2.772
69 1HH1 ARG 11 1HH1 ARG 11 -2.106 4.775 -5.308
70 2HH1 ARG 11 2HH1 ARG 11 -1.270 3.921 -6.559
71 1HH2 ARG 11 1HH2 ARG 11 1.165 2.583 -4.407
72 2HH2 ARG 11 2HH2 ARG 11 0.599 2.669 -6.046
73 1HN SEC 12 H SEC 12 -2.677 2.499 1.821
74 HA SEC 12 HA SEC 12 -5.147 4.004 1.863
75 1HB SEC 12 1HB SEC 12 -5.238 1.697 1.108
76 2HB SEC 12 2HB SEC 12 -6.101 1.810 2.644
Start of MODEL 3
1 1H GLY 1 H GLY 1 -8.246 3.730 0.563
2 1HA GLY 1 2HA GLY 1 -9.790 1.949 -0.326
3 2HA GLY 1 1HA GLY 1 -9.262 3.098 -1.547
4 1HN SEC 2 H SEC 2 -6.564 2.173 -1.694
5 HA SEC 2 HA SEC 2 -7.008 -0.269 -3.273
6 1HB SEC 2 1HB SEC 2 -4.700 1.711 -3.167
7 2HB SEC 2 2HB SEC 2 -5.939 1.631 -4.415
8 1HN SEC 3 H SEC 3 -7.026 -0.339 -0.439
9 HA SEC 3 HA SEC 3 -4.602 -0.972 0.755
10 1HB SEC 3 1HB SEC 3 -7.047 -2.284 1.755
11 2HB SEC 3 2HB SEC 3 -7.079 -0.522 1.642
12 H SER 4 H SER 4 -5.842 -2.638 -1.666
13 HA SER 4 HA SER 4 -5.109 -5.291 -0.656
14 1HB SER 4 2HB SER 4 -6.460 -4.582 -3.266
15 2HB SER 4 1HB SER 4 -6.287 -6.193 -2.569
16 HG SER 4 HG SER 4 -7.495 -5.260 -0.721
17 H ASP 5 H ASP 5 -3.055 -3.311 -1.268
18 HA ASP 5 HA ASP 5 -1.443 -4.932 -3.060
19 1HB ASP 5 2HB ASP 5 -2.406 -3.413 -4.671
20 2HB ASP 5 1HB ASP 5 -2.031 -2.027 -3.655
21 HA PRO 6 HA PRO 6 1.647 -4.128 -0.041
22 1HB PRO 6 2HB PRO 6 3.514 -4.093 -2.353
23 2HB PRO 6 1HB PRO 6 3.586 -5.034 -0.859
24 1HG PRO 6 2HG PRO 6 2.836 -6.183 -3.131
25 2HG PRO 6 1HG PRO 6 2.024 -6.583 -1.606
26 1HD PRO 6 2HD PRO 6 1.096 -4.843 -3.850
27 2HD PRO 6 1HD PRO 6 0.168 -5.960 -2.829
28 H ARG 7 H ARG 7 1.900 -2.131 -3.000
29 HA ARG 7 HA ARG 7 3.406 -0.116 -1.509
30 1HB ARG 7 2HB ARG 7 3.782 1.001 -3.471
31 2HB ARG 7 1HB ARG 7 3.735 -0.668 -4.019
32 1HG ARG 7 2HG ARG 7 1.143 0.073 -4.332
33 2HG ARG 7 1HG ARG 7 1.971 1.602 -4.630
34 1HD ARG 7 2HD ARG 7 2.006 0.750 -6.745
35 2HD ARG 7 1HD ARG 7 3.504 0.043 -6.134
36 HE ARG 7 HE ARG 7 1.316 -1.668 -5.583
37 1HH1 ARG 7 1HH1 ARG 7 3.354 -0.616 -8.240
38 2HH1 ARG 7 2HH1 ARG 7 3.076 -2.043 -9.180
39 1HH2 ARG 7 1HH2 ARG 7 0.930 -3.521 -6.796
40 2HH2 ARG 7 2HH2 ARG 7 1.686 -3.711 -8.357
41 1HN SEC 8 H SEC 8 0.309 -0.906 -2.071
42 HA SEC 8 HA SEC 8 -0.799 1.757 -1.789
43 1HB SEC 8 1HB SEC 8 -2.973 0.418 -1.869
44 2HB SEC 8 2HB SEC 8 -1.964 -0.955 -2.291
45 H ALA 9 H ALA 9 -0.021 -1.039 0.011
46 HA ALA 9 HA ALA 9 -1.791 -0.802 2.173
47 1HB ALA 9 1HB ALA 9 0.733 -2.208 1.634
48 2HB ALA 9 2HB ALA 9 -0.739 -2.781 2.417
49 3HB ALA 9 3HB ALA 9 0.438 -1.836 3.333
50 H TRP 10 H TRP 10 1.171 0.778 1.302
51 HA TRP 10 HA TRP 10 1.093 2.289 3.783
52 1HB TRP 10 2HB TRP 10 3.290 3.256 2.979
53 2HB TRP 10 1HB TRP 10 3.267 1.578 3.457
54 HD1 TRP 10 HD TRP 10 4.403 -0.052 1.915
55 HE1 TRP 10 1HE TRP 10 5.427 0.050 -0.435
56 HE3 TRP 10 3HE TRP 10 2.726 4.562 0.470
57 HZ2 TRP 10 2HZ TRP 10 5.536 1.842 -2.603
58 HZ3 TRP 10 3HZ TRP 10 3.354 5.402 -1.748
59 HH2 TRP 10 HH TRP 10 4.725 4.064 -3.258
60 H ARG 11 H ARG 11 -0.851 2.505 1.725
61 HA ARG 11 HA ARG 11 -0.684 5.393 1.218
62 1HB ARG 11 2HB ARG 11 -1.731 3.256 -0.644
63 2HB ARG 11 1HB ARG 11 -2.160 4.949 -0.817
64 1HG ARG 11 2HG ARG 11 0.650 3.871 -0.916
65 2HG ARG 11 1HG ARG 11 -0.346 4.232 -2.325
66 1HD ARG 11 2HD ARG 11 1.051 6.109 -2.030
67 2HD ARG 11 1HD ARG 11 -0.532 6.591 -1.421
68 HE ARG 11 HE ARG 11 1.009 5.568 0.703
69 1HH1 ARG 11 1HH1 ARG 11 0.860 8.362 -1.404
70 2HH1 ARG 11 2HH1 ARG 11 1.591 9.428 -0.252
71 1HH2 ARG 11 1HH2 ARG 11 1.965 6.948 2.217
72 2HH2 ARG 11 2HH2 ARG 11 2.224 8.617 1.827
73 1HN SEC 12 H SEC 12 -2.641 2.528 1.806
74 HA SEC 12 HA SEC 12 -5.045 4.036 2.379
75 1HB SEC 12 1HB SEC 12 -5.245 1.836 1.320
76 2HB SEC 12 2HB SEC 12 -5.986 1.791 2.922
Start of MODEL 4
1 1H GLY 1 H GLY 1 -9.099 2.981 1.305
2 1HA GLY 1 2HA GLY 1 -10.061 1.271 -0.142
3 2HA GLY 1 1HA GLY 1 -9.746 2.710 -1.102
4 1HN SEC 2 H SEC 2 -6.901 2.446 -1.093
5 HA SEC 2 HA SEC 2 -6.639 0.324 -3.089
6 1HB SEC 2 1HB SEC 2 -4.623 2.479 -2.408
7 2HB SEC 2 2HB SEC 2 -5.934 2.734 -3.559
8 1HN SEC 3 H SEC 3 -6.907 -0.632 -0.600
9 HA SEC 3 HA SEC 3 -4.277 -1.069 0.552
10 1HB SEC 3 1HB SEC 3 -6.701 -2.402 1.607
11 2HB SEC 3 2HB SEC 3 -6.634 -0.643 1.726
12 H SER 4 H SER 4 -5.773 -2.359 -1.924
13 HA SER 4 HA SER 4 -5.416 -5.175 -1.322
14 1HB SER 4 2HB SER 4 -6.201 -3.917 -3.956
15 2HB SER 4 1HB SER 4 -6.456 -5.587 -3.447
16 HG SER 4 HG SER 4 -8.275 -4.931 -2.655
17 H ASP 5 H ASP 5 -3.119 -3.227 -1.559
18 HA ASP 5 HA ASP 5 -1.403 -4.959 -3.117
19 1HB ASP 5 2HB ASP 5 -1.876 -3.535 -4.917
20 2HB ASP 5 1HB ASP 5 -1.997 -2.114 -3.889
21 HA PRO 6 HA PRO 6 1.032 -4.105 0.490
22 1HB PRO 6 2HB PRO 6 3.314 -4.899 -1.231
23 2HB PRO 6 1HB PRO 6 2.806 -5.551 0.332
24 1HG PRO 6 2HG PRO 6 2.391 -6.916 -1.923
25 2HG PRO 6 1HG PRO 6 1.195 -6.922 -0.613
26 1HD PRO 6 2HD PRO 6 1.166 -5.428 -3.203
27 2HD PRO 6 1HD PRO 6 -0.173 -6.204 -2.333
28 H ARG 7 H ARG 7 2.091 -2.971 -2.662
29 HA ARG 7 HA ARG 7 3.895 -0.987 -1.680
30 1HB ARG 7 2HB ARG 7 4.053 -1.780 -3.968
31 2HB ARG 7 1HB ARG 7 2.400 -1.274 -4.277
32 1HG ARG 7 2HG ARG 7 3.337 1.089 -3.638
33 2HG ARG 7 1HG ARG 7 4.871 0.354 -4.121
34 1HD ARG 7 2HD ARG 7 3.519 1.556 -5.932
35 2HD ARG 7 1HD ARG 7 4.114 -0.065 -6.300
36 HE ARG 7 HE ARG 7 1.590 -0.410 -5.217
37 1HH1 ARG 7 1HH1 ARG 7 2.922 1.224 -8.019
38 2HH1 ARG 7 2HH1 ARG 7 1.512 0.966 -8.987
39 1HH2 ARG 7 1HH2 ARG 7 -0.230 -0.760 -6.455
40 2HH2 ARG 7 2HH2 ARG 7 -0.307 -0.174 -8.089
41 1HN SEC 8 H SEC 8 0.529 -1.180 -2.427
42 HA SEC 8 HA SEC 8 0.043 1.657 -2.081
43 1HB SEC 8 1HB SEC 8 -2.330 0.022 -2.242
44 2HB SEC 8 2HB SEC 8 -1.175 -0.425 -3.494
45 H ALA 9 H ALA 9 0.540 -0.804 -0.036
46 HA ALA 9 HA ALA 9 -1.597 -0.557 1.806
47 1HB ALA 9 1HB ALA 9 0.987 -1.904 1.730
48 2HB ALA 9 2HB ALA 9 -0.536 -2.410 2.463
49 3HB ALA 9 3HB ALA 9 0.547 -1.328 3.340
50 H TRP 10 H TRP 10 1.082 1.411 1.040
51 HA TRP 10 HA TRP 10 1.135 2.781 3.583
52 1HB TRP 10 2HB TRP 10 3.035 3.798 2.862
53 2HB TRP 10 1HB TRP 10 3.035 2.498 1.689
54 HD1 TRP 10 HD TRP 10 3.920 5.840 1.794
55 HE1 TRP 10 1HE TRP 10 3.624 7.112 -0.410
56 HE3 TRP 10 3HE TRP 10 0.692 2.649 -0.618
57 HZ2 TRP 10 2HZ TRP 10 2.242 6.832 -2.828
58 HZ3 TRP 10 3HZ TRP 10 -0.050 3.244 -2.878
59 HH2 TRP 10 HH TRP 10 0.704 5.294 -3.959
60 H ARG 11 H ARG 11 -0.700 2.764 0.796
61 HA ARG 11 HA ARG 11 -1.468 5.504 0.762
62 1HB ARG 11 2HB ARG 11 -1.508 3.974 -1.239
63 2HB ARG 11 1HB ARG 11 -2.907 3.188 -0.523
64 1HG ARG 11 2HG ARG 11 -3.610 4.772 -2.195
65 2HG ARG 11 1HG ARG 11 -4.120 5.323 -0.597
66 1HD ARG 11 2HD ARG 11 -2.304 6.898 -0.505
67 2HD ARG 11 1HD ARG 11 -1.627 6.268 -2.005
68 HE ARG 11 HE ARG 11 -3.694 8.202 -1.739
69 1HH1 ARG 11 1HH1 ARG 11 -2.584 5.580 -3.784
70 2HH1 ARG 11 2HH1 ARG 11 -3.381 6.174 -5.202
71 1HH2 ARG 11 1HH2 ARG 11 -4.750 8.993 -3.613
72 2HH2 ARG 11 2HH2 ARG 11 -4.617 8.120 -5.104
73 1HN SEC 12 H SEC 12 -2.784 2.471 1.935
74 HA SEC 12 HA SEC 12 -5.145 3.743 3.043
75 1HB SEC 12 1HB SEC 12 -5.464 1.572 2.043
76 2HB SEC 12 2HB SEC 12 -5.692 1.404 3.785
Start of MODEL 5
1 1H GLY 1 H GLY 1 -9.020 3.522 0.868
2 1HA GLY 1 2HA GLY 1 -10.089 1.620 -0.315
3 2HA GLY 1 1HA GLY 1 -9.678 2.918 -1.427
4 1HN SEC 2 H SEC 2 -6.846 2.480 -1.320
5 HA SEC 2 HA SEC 2 -6.690 0.110 -3.029
6 1HB SEC 2 1HB SEC 2 -4.546 2.211 -2.624
7 2HB SEC 2 2HB SEC 2 -5.839 2.406 -3.808
8 1HN SEC 3 H SEC 3 -7.060 -0.670 -0.624
9 HA SEC 3 HA SEC 3 -4.557 -0.865 0.834
10 1HB SEC 3 1HB SEC 3 -7.009 -2.211 1.770
11 2HB SEC 3 2HB SEC 3 -7.069 -0.451 1.660
12 H SER 4 H SER 4 -5.592 -2.494 -1.656
13 HA SER 4 HA SER 4 -4.930 -5.150 -0.588
14 1HB SER 4 2HB SER 4 -6.370 -4.492 -3.162
15 2HB SER 4 1HB SER 4 -6.164 -6.091 -2.446
16 HG SER 4 HG SER 4 -7.372 -5.307 -0.632
17 H ASP 5 H ASP 5 -2.839 -3.276 -1.277
18 HA ASP 5 HA ASP 5 -1.367 -4.989 -3.090
19 1HB ASP 5 2HB ASP 5 -2.219 -3.570 -4.773
20 2HB ASP 5 1HB ASP 5 -2.024 -2.132 -3.787
21 HA PRO 6 HA PRO 6 1.859 -4.267 -0.171
22 1HB PRO 6 2HB PRO 6 3.621 -4.338 -2.573
23 2HB PRO 6 1HB PRO 6 3.748 -5.235 -1.056
24 1HG PRO 6 2HG PRO 6 2.851 -6.432 -3.247
25 2HG PRO 6 1HG PRO 6 2.112 -6.765 -1.670
26 1HD PRO 6 2HD PRO 6 1.097 -5.097 -3.927
27 2HD PRO 6 1HD PRO 6 0.202 -6.125 -2.790
28 H ARG 7 H ARG 7 1.937 -2.335 -3.152
29 HA ARG 7 HA ARG 7 3.430 -0.238 -1.731
30 1HB ARG 7 2HB ARG 7 2.833 -0.695 -4.635
31 2HB ARG 7 1HB ARG 7 3.399 0.850 -4.021
32 1HG ARG 7 2HG ARG 7 5.494 0.118 -3.700
33 2HG ARG 7 1HG ARG 7 4.970 -1.492 -3.205
34 1HD ARG 7 2HD ARG 7 4.755 -0.590 -6.067
35 2HD ARG 7 1HD ARG 7 6.257 -1.260 -5.431
36 HE ARG 7 HE ARG 7 5.309 -3.345 -5.450
37 1HH1 ARG 7 1HH1 ARG 7 2.799 -1.002 -6.110
38 2HH1 ARG 7 2HH1 ARG 7 1.531 -2.184 -6.183
39 1HH2 ARG 7 1HH2 ARG 7 3.626 -4.915 -5.646
40 2HH2 ARG 7 2HH2 ARG 7 1.997 -4.382 -5.949
41 1HN SEC 8 H SEC 8 0.700 -0.970 -1.347
42 HA SEC 8 HA SEC 8 -0.513 1.658 -1.690
43 1HB SEC 8 1HB SEC 8 -2.652 -0.053 -1.951
44 2HB SEC 8 2HB SEC 8 -1.380 -0.873 -2.854
45 H ALA 9 H ALA 9 0.165 -1.087 0.184
46 HA ALA 9 HA ALA 9 -1.876 -0.935 2.121
47 1HB ALA 9 1HB ALA 9 -0.751 -2.885 2.416
48 2HB ALA 9 2HB ALA 9 0.164 -1.906 3.564
49 3HB ALA 9 3HB ALA 9 0.799 -2.187 1.942
50 H TRP 10 H TRP 10 1.163 0.686 1.636
51 HA TRP 10 HA TRP 10 0.684 2.320 4.001
52 1HB TRP 10 2HB TRP 10 2.983 3.332 3.268
53 2HB TRP 10 1HB TRP 10 2.902 1.825 4.154
54 HD1 TRP 10 HD TRP 10 4.362 -0.010 3.265
55 HE1 TRP 10 1HE TRP 10 5.611 -0.502 1.079
56 HE3 TRP 10 3HE TRP 10 2.527 3.801 0.357
57 HZ2 TRP 10 2HZ TRP 10 5.824 0.575 -1.502
58 HZ3 TRP 10 3HZ TRP 10 3.329 4.000 -1.947
59 HH2 TRP 10 HH TRP 10 4.938 2.416 -2.863
60 H ARG 11 H ARG 11 -1.061 2.498 1.931
61 HA ARG 11 HA ARG 11 -0.709 5.285 1.116
62 1HB ARG 11 2HB ARG 11 -0.171 3.744 -0.801
63 2HB ARG 11 1HB ARG 11 -1.819 3.144 -0.711
64 1HG ARG 11 2HG ARG 11 -2.631 5.442 -1.153
65 2HG ARG 11 1HG ARG 11 -0.954 5.950 -1.368
66 1HD ARG 11 2HD ARG 11 -2.471 3.926 -3.010
67 2HD ARG 11 1HD ARG 11 -1.923 5.519 -3.528
68 HE ARG 11 HE ARG 11 -0.403 3.107 -3.485
69 1HH1 ARG 11 1HH1 ARG 11 -0.128 6.588 -3.165
70 2HH1 ARG 11 2HH1 ARG 11 1.554 6.621 -3.573
71 1HH2 ARG 11 1HH2 ARG 11 1.804 3.139 -4.005
72 2HH2 ARG 11 2HH2 ARG 11 2.659 4.649 -4.060
73 1HN SEC 12 H SEC 12 -2.716 2.538 1.874
74 HA SEC 12 HA SEC 12 -5.207 4.004 1.804
75 1HB SEC 12 1HB SEC 12 -5.250 1.672 1.137
76 2HB SEC 12 2HB SEC 12 -6.136 1.823 2.657
Start of MODEL 6
1 1H GLY 1 H GLY 1 -8.920 3.605 0.903
2 1HA GLY 1 2HA GLY 1 -10.096 1.724 -0.229
3 2HA GLY 1 1HA GLY 1 -9.669 3.004 -1.355
4 1HN SEC 2 H SEC 2 -6.858 2.468 -1.336
5 HA SEC 2 HA SEC 2 -6.835 0.078 -3.020
6 1HB SEC 2 1HB SEC 2 -4.619 2.126 -2.727
7 2HB SEC 2 2HB SEC 2 -5.939 2.324 -3.881
8 1HN SEC 3 H SEC 3 -7.141 -0.716 -0.640
9 HA SEC 3 HA SEC 3 -4.607 -0.906 0.773
10 1HB SEC 3 1HB SEC 3 -7.026 -2.270 1.752
11 2HB SEC 3 2HB SEC 3 -7.104 -0.510 1.650
12 H SER 4 H SER 4 -5.579 -2.518 -1.719
13 HA SER 4 HA SER 4 -4.979 -5.193 -0.660
14 1HB SER 4 2HB SER 4 -6.316 -4.500 -3.280
15 2HB SER 4 1HB SER 4 -6.169 -6.103 -2.556
16 HG SER 4 HG SER 4 -7.402 -5.234 -0.761
17 H ASP 5 H ASP 5 -2.858 -3.293 -1.315
18 HA ASP 5 HA ASP 5 -1.308 -5.032 -3.032
19 1HB ASP 5 2HB ASP 5 -2.134 -3.661 -4.777
20 2HB ASP 5 1HB ASP 5 -1.934 -2.196 -3.834
21 HA PRO 6 HA PRO 6 1.819 -4.254 -0.061
22 1HB PRO 6 2HB PRO 6 3.636 -4.182 -2.423
23 2HB PRO 6 1HB PRO 6 3.783 -5.094 -0.916
24 1HG PRO 6 2HG PRO 6 2.982 -6.303 -3.136
25 2HG PRO 6 1HG PRO 6 2.227 -6.688 -1.577
26 1HD PRO 6 2HD PRO 6 1.180 -5.051 -3.838
27 2HD PRO 6 1HD PRO 6 0.311 -6.118 -2.718
28 H ARG 7 H ARG 7 2.022 -2.190 -2.978
29 HA ARG 7 HA ARG 7 3.492 -0.187 -1.413
30 1HB ARG 7 2HB ARG 7 3.976 0.926 -3.353
31 2HB ARG 7 1HB ARG 7 3.973 -0.747 -3.890
32 1HG ARG 7 2HG ARG 7 1.391 0.002 -4.346
33 2HG ARG 7 1HG ARG 7 2.260 1.508 -4.645
34 1HD ARG 7 2HD ARG 7 2.372 0.580 -6.730
35 2HD ARG 7 1HD ARG 7 3.841 -0.100 -6.028
36 HE ARG 7 HE ARG 7 1.611 -1.790 -5.532
37 1HH1 ARG 7 1HH1 ARG 7 3.831 -0.849 -8.084
38 2HH1 ARG 7 2HH1 ARG 7 3.630 -2.320 -8.972
39 1HH2 ARG 7 1HH2 ARG 7 1.325 -3.705 -6.684
40 2HH2 ARG 7 2HH2 ARG 7 2.195 -3.961 -8.175
41 1HN SEC 8 H SEC 8 0.454 -1.005 -2.031
42 HA SEC 8 HA SEC 8 -0.677 1.665 -1.848
43 1HB SEC 8 1HB SEC 8 -2.803 -0.018 -2.003
44 2HB SEC 8 2HB SEC 8 -1.566 -0.951 -2.833
45 H ALA 9 H ALA 9 0.040 -1.107 -0.005
46 HA ALA 9 HA ALA 9 -1.884 -0.890 2.041
47 1HB ALA 9 1HB ALA 9 -0.812 -2.892 2.236
48 2HB ALA 9 2HB ALA 9 0.168 -1.963 3.371
49 3HB ALA 9 3HB ALA 9 0.742 -2.230 1.725
50 H TRP 10 H TRP 10 1.134 0.672 1.343
51 HA TRP 10 HA TRP 10 0.915 2.215 3.797
52 1HB TRP 10 2HB TRP 10 3.156 3.167 3.102
53 2HB TRP 10 1HB TRP 10 3.108 1.492 3.593
54 HD1 TRP 10 HD TRP 10 4.320 -0.152 2.122
55 HE1 TRP 10 1HE TRP 10 5.457 -0.074 -0.177
56 HE3 TRP 10 3HE TRP 10 2.719 4.447 0.545
57 HZ2 TRP 10 2HZ TRP 10 5.669 1.692 -2.356
58 HZ3 TRP 10 3HZ TRP 10 3.449 5.260 -1.650
59 HH2 TRP 10 HH TRP 10 4.892 3.906 -3.076
60 H ARG 11 H ARG 11 -0.943 2.423 1.680
61 HA ARG 11 HA ARG 11 -0.681 5.288 1.123
62 1HB ARG 11 2HB ARG 11 -0.346 3.636 -0.903
63 2HB ARG 11 1HB ARG 11 -2.100 3.528 -0.841
64 1HG ARG 11 2HG ARG 11 -1.670 5.200 -2.409
65 2HG ARG 11 1HG ARG 11 -2.093 6.078 -0.938
66 1HD ARG 11 2HD ARG 11 0.681 5.582 -2.024
67 2HD ARG 11 1HD ARG 11 -0.175 7.121 -1.980
68 HE ARG 11 HE ARG 11 1.298 5.895 0.147
69 1HH1 ARG 11 1HH1 ARG 11 -1.324 8.108 -0.562
70 2HH1 ARG 11 2HH1 ARG 11 -1.309 8.833 1.009
71 1HH2 ARG 11 1HH2 ARG 11 1.316 6.829 2.217
72 2HH2 ARG 11 2HH2 ARG 11 0.207 8.107 2.597
73 1HN SEC 12 H SEC 12 -2.670 2.498 1.797
74 HA SEC 12 HA SEC 12 -5.132 4.006 1.985
75 1HB SEC 12 1HB SEC 12 -5.256 1.718 1.168
76 2HB SEC 12 2HB SEC 12 -6.066 1.798 2.735
Start of MODEL 7
1 1H GLY 1 H GLY 1 -9.637 4.033 -1.244
2 1HA GLY 1 2HA GLY 1 -9.193 1.860 0.602
3 2HA GLY 1 1HA GLY 1 -10.394 1.918 -0.681
4 1HN SEC 2 H SEC 2 -6.959 2.453 -1.107
5 HA SEC 2 HA SEC 2 -6.853 0.145 -2.900
6 1HB SEC 2 1HB SEC 2 -4.748 2.299 -2.538
7 2HB SEC 2 2HB SEC 2 -6.074 2.444 -3.693
8 1HN SEC 3 H SEC 3 -7.082 -0.747 -0.535
9 HA SEC 3 HA SEC 3 -4.503 -0.921 0.798
10 1HB SEC 3 1HB SEC 3 -6.873 -2.355 1.802
11 2HB SEC 3 2HB SEC 3 -6.988 -0.595 1.749
12 H SER 4 H SER 4 -5.564 -2.461 -1.715
13 HA SER 4 HA SER 4 -5.012 -5.183 -0.790
14 1HB SER 4 2HB SER 4 -6.171 -4.335 -3.443
15 2HB SER 4 1HB SER 4 -6.158 -5.957 -2.751
16 HG SER 4 HG SER 4 -7.658 -5.364 -1.287
17 H ASP 5 H ASP 5 -2.812 -3.225 -1.392
18 HA ASP 5 HA ASP 5 -1.235 -5.051 -2.995
19 1HB ASP 5 2HB ASP 5 -2.144 -3.610 -4.754
20 2HB ASP 5 1HB ASP 5 -1.613 -2.179 -3.893
21 HA PRO 6 HA PRO 6 1.776 -4.040 0.070
22 1HB PRO 6 2HB PRO 6 4.042 -4.130 -1.569
23 2HB PRO 6 1HB PRO 6 3.333 -5.491 -0.697
24 1HG PRO 6 2HG PRO 6 3.010 -4.690 -3.550
25 2HG PRO 6 1HG PRO 6 3.096 -6.312 -2.839
26 1HD PRO 6 2HD PRO 6 0.767 -5.276 -3.646
27 2HD PRO 6 1HD PRO 6 0.867 -6.274 -2.179
28 H ARG 7 H ARG 7 1.966 -2.353 -3.032
29 HA ARG 7 HA ARG 7 3.432 -0.108 -1.871
30 1HB ARG 7 2HB ARG 7 2.358 -0.662 -4.626
31 2HB ARG 7 1HB ARG 7 3.161 0.832 -4.170
32 1HG ARG 7 2HG ARG 7 5.198 -0.113 -4.089
33 2HG ARG 7 1HG ARG 7 4.572 -1.676 -3.556
34 1HD ARG 7 2HD ARG 7 4.529 -0.532 -6.345
35 2HD ARG 7 1HD ARG 7 5.406 -1.956 -5.783
36 HE ARG 7 HE ARG 7 2.617 -2.287 -5.338
37 1HH1 ARG 7 1HH1 ARG 7 4.999 -2.281 -7.906
38 2HH1 ARG 7 2HH1 ARG 7 4.071 -3.307 -8.946
39 1HH2 ARG 7 1HH2 ARG 7 1.374 -3.638 -6.698
40 2HH2 ARG 7 2HH2 ARG 7 2.006 -4.079 -8.259
41 1HN SEC 8 H SEC 8 0.518 -1.025 -1.530
42 HA SEC 8 HA SEC 8 -0.624 1.660 -1.651
43 1HB SEC 8 1HB SEC 8 -2.784 -0.031 -1.903
44 2HB SEC 8 2HB SEC 8 -1.546 -0.820 -2.873
45 H ALA 9 H ALA 9 0.161 -1.078 0.134
46 HA ALA 9 HA ALA 9 -1.815 -0.971 2.162
47 1HB ALA 9 1HB ALA 9 0.239 -2.007 3.499
48 2HB ALA 9 2HB ALA 9 0.864 -2.220 1.862
49 3HB ALA 9 3HB ALA 9 -0.677 -2.946 2.321
50 H TRP 10 H TRP 10 1.210 0.601 1.512
51 HA TRP 10 HA TRP 10 0.876 2.255 3.887
52 1HB TRP 10 2HB TRP 10 3.146 3.231 3.069
53 2HB TRP 10 1HB TRP 10 3.090 1.716 3.939
54 HD1 TRP 10 HD TRP 10 4.472 -0.138 2.970
55 HE1 TRP 10 1HE TRP 10 5.672 -0.594 0.749
56 HE3 TRP 10 3HE TRP 10 2.650 3.778 0.197
57 HZ2 TRP 10 2HZ TRP 10 5.859 0.548 -1.809
58 HZ3 TRP 10 3HZ TRP 10 3.417 4.026 -2.115
59 HH2 TRP 10 HH TRP 10 4.982 2.438 -3.104
60 H ARG 11 H ARG 11 -0.956 2.412 1.897
61 HA ARG 11 HA ARG 11 -0.635 5.189 1.047
62 1HB ARG 11 2HB ARG 11 -0.185 3.628 -0.885
63 2HB ARG 11 1HB ARG 11 -1.842 3.060 -0.731
64 1HG ARG 11 2HG ARG 11 -1.662 4.699 -2.501
65 2HG ARG 11 1HG ARG 11 -2.656 5.325 -1.182
66 1HD ARG 11 2HD ARG 11 -1.101 7.020 -2.023
67 2HD ARG 11 1HD ARG 11 -0.764 6.605 -0.343
68 HE ARG 11 HE ARG 11 0.818 5.010 -2.045
69 1HH1 ARG 11 1HH1 ARG 11 0.529 8.301 -0.902
70 2HH1 ARG 11 2HH1 ARG 11 2.210 8.662 -1.103
71 1HH2 ARG 11 1HH2 ARG 11 3.044 5.474 -2.317
72 2HH2 ARG 11 2HH2 ARG 11 3.648 7.045 -1.912
73 1HN SEC 12 H SEC 12 -2.637 2.438 1.858
74 HA SEC 12 HA SEC 12 -5.116 3.921 1.920
75 1HB SEC 12 1HB SEC 12 -5.222 1.602 1.233
76 2HB SEC 12 2HB SEC 12 -6.013 1.729 2.806
Start of MODEL 8
1 1H GLY 1 H GLY 1 -8.984 3.342 1.202
2 1HA GLY 1 2HA GLY 1 -10.106 1.689 -0.122
3 2HA GLY 1 1HA GLY 1 -9.713 2.998 -1.227
4 1HN SEC 2 H SEC 2 -6.899 2.516 -1.258
5 HA SEC 2 HA SEC 2 -6.848 0.157 -2.985
6 1HB SEC 2 1HB SEC 2 -4.709 2.287 -2.681
7 2HB SEC 2 2HB SEC 2 -6.016 2.395 -3.862
8 1HN SEC 3 H SEC 3 -7.099 -0.700 -0.635
9 HA SEC 3 HA SEC 3 -4.544 -0.874 0.744
10 1HB SEC 3 1HB SEC 3 -6.941 -2.282 1.721
11 2HB SEC 3 2HB SEC 3 -7.040 -0.523 1.653
12 H SER 4 H SER 4 -5.553 -2.437 -1.771
13 HA SER 4 HA SER 4 -5.023 -5.148 -0.795
14 1HB SER 4 2HB SER 4 -6.172 -4.326 -3.462
15 2HB SER 4 1HB SER 4 -6.135 -5.951 -2.775
16 HG SER 4 HG SER 4 -7.556 -5.280 -1.180
17 H ASP 5 H ASP 5 -2.803 -3.221 -1.389
18 HA ASP 5 HA ASP 5 -1.232 -5.072 -2.973
19 1HB ASP 5 2HB ASP 5 -2.070 -3.612 -4.750
20 2HB ASP 5 1HB ASP 5 -1.537 -2.191 -3.870
21 HA PRO 6 HA PRO 6 1.800 -4.073 0.087
22 1HB PRO 6 2HB PRO 6 3.749 -4.226 -2.162
23 2HB PRO 6 1HB PRO 6 3.772 -5.044 -0.595
24 1HG PRO 6 2HG PRO 6 3.100 -6.370 -2.797
25 2HG PRO 6 1HG PRO 6 2.247 -6.660 -1.268
26 1HD PRO 6 2HD PRO 6 1.364 -5.126 -3.672
27 2HD PRO 6 1HD PRO 6 0.415 -6.145 -2.570
28 H ARG 7 H ARG 7 1.947 -2.372 -3.015
29 HA ARG 7 HA ARG 7 3.412 -0.129 -1.836
30 1HB ARG 7 2HB ARG 7 2.418 -0.690 -4.618
31 2HB ARG 7 1HB ARG 7 3.188 0.814 -4.138
32 1HG ARG 7 2HG ARG 7 5.232 -0.088 -4.068
33 2HG ARG 7 1HG ARG 7 4.643 -1.636 -3.455
34 1HD ARG 7 2HD ARG 7 4.572 -0.638 -6.300
35 2HD ARG 7 1HD ARG 7 5.480 -2.011 -5.667
36 HE ARG 7 HE ARG 7 2.680 -2.343 -5.220
37 1HH1 ARG 7 1HH1 ARG 7 5.112 -2.524 -7.735
38 2HH1 ARG 7 2HH1 ARG 7 4.235 -3.677 -8.679
39 1HH2 ARG 7 1HH2 ARG 7 1.515 -3.873 -6.443
40 2HH2 ARG 7 2HH2 ARG 7 2.183 -4.444 -7.946
41 1HN SEC 8 H SEC 8 0.541 -1.021 -1.459
42 HA SEC 8 HA SEC 8 -0.627 1.646 -1.674
43 1HB SEC 8 1HB SEC 8 -2.779 -0.039 -1.916
44 2HB SEC 8 2HB SEC 8 -1.534 -0.876 -2.832
45 H ALA 9 H ALA 9 0.109 -1.094 0.157
46 HA ALA 9 HA ALA 9 -1.884 -0.944 2.156
47 1HB ALA 9 1HB ALA 9 0.124 -1.984 3.542
48 2HB ALA 9 2HB ALA 9 0.800 -2.199 1.928
49 3HB ALA 9 3HB ALA 9 -0.755 -2.924 2.336
50 H TRP 10 H TRP 10 1.169 0.619 1.566
51 HA TRP 10 HA TRP 10 0.785 2.262 3.942
52 1HB TRP 10 2HB TRP 10 3.068 3.250 3.142
53 2HB TRP 10 1HB TRP 10 2.997 1.748 4.034
54 HD1 TRP 10 HD TRP 10 4.395 -0.120 3.115
55 HE1 TRP 10 1HE TRP 10 5.620 -0.613 0.916
56 HE3 TRP 10 3HE TRP 10 2.605 3.746 0.251
57 HZ2 TRP 10 2HZ TRP 10 5.834 0.481 -1.659
58 HZ3 TRP 10 3HZ TRP 10 3.397 3.953 -2.055
59 HH2 TRP 10 HH TRP 10 4.972 2.349 -2.998
60 H ARG 11 H ARG 11 -0.963 2.393 1.788
61 HA ARG 11 HA ARG 11 -0.638 5.203 1.044
62 1HB ARG 11 2HB ARG 11 -0.083 3.853 -0.934
63 2HB ARG 11 1HB ARG 11 -1.623 3.016 -0.803
64 1HG ARG 11 2HG ARG 11 -1.692 4.711 -2.539
65 2HG ARG 11 1HG ARG 11 -2.805 5.108 -1.227
66 1HD ARG 11 2HD ARG 11 -1.053 6.611 -0.287
67 2HD ARG 11 1HD ARG 11 -0.076 6.295 -1.720
68 HE ARG 11 HE ARG 11 -1.358 7.783 -2.865
69 1HH1 ARG 11 1HH1 ARG 11 -3.140 6.809 0.002
70 2HH1 ARG 11 2HH1 ARG 11 -4.447 7.911 -0.290
71 1HH2 ARG 11 1HH2 ARG 11 -3.090 9.232 -3.245
72 2HH2 ARG 11 2HH2 ARG 11 -4.421 9.286 -2.137
73 1HN SEC 12 H SEC 12 -2.670 2.466 1.799
74 HA SEC 12 HA SEC 12 -5.152 3.941 1.701
75 1HB SEC 12 1HB SEC 12 -5.229 1.604 1.087
76 2HB SEC 12 2HB SEC 12 -6.082 1.774 2.624
Start of MODEL 9
1 1H GLY 1 H GLY 1 -8.614 3.539 1.455
2 1HA GLY 1 2HA GLY 1 -9.850 1.482 0.552
3 2HA GLY 1 1HA GLY 1 -9.691 2.829 -0.568
4 1HN SEC 2 H SEC 2 -6.869 2.519 -0.956
5 HA SEC 2 HA SEC 2 -6.905 0.207 -2.760
6 1HB SEC 2 1HB SEC 2 -4.962 2.539 -2.614
7 2HB SEC 2 2HB SEC 2 -6.319 2.428 -3.733
8 1HN SEC 3 H SEC 3 -6.807 -0.595 -0.284
9 HA SEC 3 HA SEC 3 -4.050 -0.707 0.623
10 1HB SEC 3 1HB SEC 3 -6.191 -2.137 2.062
11 2HB SEC 3 2HB SEC 3 -6.367 -0.384 1.944
12 H SER 4 H SER 4 -5.635 -2.387 -1.556
13 HA SER 4 HA SER 4 -4.923 -5.073 -0.710
14 1HB SER 4 2HB SER 4 -6.190 -4.217 -3.313
15 2HB SER 4 1HB SER 4 -6.190 -5.830 -2.599
16 HG SER 4 HG SER 4 -7.922 -5.260 -1.575
17 H ASP 5 H ASP 5 -2.720 -3.213 -1.327
18 HA ASP 5 HA ASP 5 -1.263 -4.966 -3.114
19 1HB ASP 5 2HB ASP 5 -2.037 -3.490 -4.805
20 2HB ASP 5 1HB ASP 5 -1.787 -2.074 -3.796
21 HA PRO 6 HA PRO 6 1.910 -4.292 -0.118
22 1HB PRO 6 2HB PRO 6 3.734 -4.322 -2.476
23 2HB PRO 6 1HB PRO 6 3.830 -5.235 -0.965
24 1HG PRO 6 2HG PRO 6 2.995 -6.413 -3.194
25 2HG PRO 6 1HG PRO 6 2.226 -6.774 -1.637
26 1HD PRO 6 2HD PRO 6 1.238 -5.096 -3.897
27 2HD PRO 6 1HD PRO 6 0.331 -6.135 -2.778
28 H ARG 7 H ARG 7 1.937 -2.260 -3.033
29 HA ARG 7 HA ARG 7 3.390 -0.191 -1.505
30 1HB ARG 7 2HB ARG 7 2.927 -0.467 -4.465
31 2HB ARG 7 1HB ARG 7 3.710 0.896 -3.681
32 1HG ARG 7 2HG ARG 7 5.578 -0.313 -3.124
33 2HG ARG 7 1HG ARG 7 4.733 -1.859 -3.228
34 1HD ARG 7 2HD ARG 7 5.880 -0.170 -5.408
35 2HD ARG 7 1HD ARG 7 5.996 -1.911 -5.163
36 HE ARG 7 HE ARG 7 4.123 -0.586 -6.775
37 1HH1 ARG 7 1HH1 ARG 7 4.238 -3.259 -4.500
38 2HH1 ARG 7 2HH1 ARG 7 2.777 -3.981 -5.097
39 1HH2 ARG 7 1HH2 ARG 7 2.219 -1.587 -7.565
40 2HH2 ARG 7 2HH2 ARG 7 1.629 -3.030 -6.800
41 1HN SEC 8 H SEC 8 0.609 -0.926 -1.384
42 HA SEC 8 HA SEC 8 -0.512 1.731 -1.767
43 1HB SEC 8 1HB SEC 8 -2.523 -0.274 -2.294
44 2HB SEC 8 2HB SEC 8 -1.150 -0.481 -3.384
45 H ALA 9 H ALA 9 -0.162 -1.181 -0.013
46 HA ALA 9 HA ALA 9 -2.323 -1.020 1.771
47 1HB ALA 9 1HB ALA 9 -1.398 -2.927 2.467
48 2HB ALA 9 2HB ALA 9 -0.053 -2.015 3.153
49 3HB ALA 9 3HB ALA 9 0.033 -2.595 1.490
50 H TRP 10 H TRP 10 0.938 0.303 1.846
51 HA TRP 10 HA TRP 10 0.220 1.889 4.173
52 1HB TRP 10 2HB TRP 10 2.659 2.744 3.860
53 2HB TRP 10 1HB TRP 10 2.352 1.177 4.575
54 HD1 TRP 10 HD TRP 10 3.933 -0.589 3.796
55 HE1 TRP 10 1HE TRP 10 5.398 -1.023 1.736
56 HE3 TRP 10 3HE TRP 10 2.478 3.366 0.856
57 HZ2 TRP 10 2HZ TRP 10 5.900 0.141 -0.766
58 HZ3 TRP 10 3HZ TRP 10 3.522 3.630 -1.341
59 HH2 TRP 10 HH TRP 10 5.193 2.046 -2.143
60 H ARG 11 H ARG 11 -1.141 2.319 1.776
61 HA ARG 11 HA ARG 11 -0.631 5.157 1.457
62 1HB ARG 11 2HB ARG 11 0.599 3.754 -0.351
63 2HB ARG 11 1HB ARG 11 -1.005 3.499 -1.022
64 1HG ARG 11 2HG ARG 11 -1.277 5.963 -1.160
65 2HG ARG 11 1HG ARG 11 0.398 6.133 -0.630
66 1HD ARG 11 2HD ARG 11 0.395 6.288 -3.002
67 2HD ARG 11 1HD ARG 11 1.060 4.710 -2.587
68 HE ARG 11 HE ARG 11 -0.675 3.738 -3.695
69 1HH1 ARG 11 1HH1 ARG 11 -1.573 7.042 -2.950
70 2HH1 ARG 11 2HH1 ARG 11 -3.082 6.963 -3.794
71 1HH2 ARG 11 1HH2 ARG 11 -2.668 3.625 -4.812
72 2HH2 ARG 11 2HH2 ARG 11 -3.703 5.015 -4.863
73 1HN SEC 12 H SEC 12 -2.698 2.818 2.206
74 HA SEC 12 HA SEC 12 -5.004 3.654 0.681
75 1HB SEC 12 1HB SEC 12 -4.652 1.261 1.237
76 2HB SEC 12 2HB SEC 12 -6.182 1.874 1.863
Start of MODEL 10
1 1H GLY 1 H GLY 1 -10.499 0.871 0.124
2 1HA GLY 1 2HA GLY 1 -9.921 2.857 -1.333
3 2HA GLY 1 1HA GLY 1 -8.597 3.102 -0.203
4 1HN SEC 2 H SEC 2 -6.792 2.619 -1.280
5 HA SEC 2 HA SEC 2 -6.728 0.257 -3.004
6 1HB SEC 2 1HB SEC 2 -4.542 2.330 -2.648
7 2HB SEC 2 2HB SEC 2 -5.841 2.516 -3.827
8 1HN SEC 3 H SEC 3 -7.051 -0.576 -0.640
9 HA SEC 3 HA SEC 3 -4.523 -0.784 0.783
10 1HB SEC 3 1HB SEC 3 -6.963 -2.128 1.746
11 2HB SEC 3 2HB SEC 3 -7.023 -0.368 1.652
12 H SER 4 H SER 4 -5.570 -2.365 -1.719
13 HA SER 4 HA SER 4 -5.044 -5.063 -0.703
14 1HB SER 4 2HB SER 4 -6.257 -4.289 -3.356
15 2HB SER 4 1HB SER 4 -6.217 -5.898 -2.631
16 HG SER 4 HG SER 4 -7.571 -5.148 -0.992
17 H ASP 5 H ASP 5 -2.825 -3.190 -1.340
18 HA ASP 5 HA ASP 5 -1.313 -5.044 -2.977
19 1HB ASP 5 2HB ASP 5 -2.161 -3.571 -4.726
20 2HB ASP 5 1HB ASP 5 -1.622 -2.155 -3.841
21 HA PRO 6 HA PRO 6 1.788 -4.114 0.032
22 1HB PRO 6 2HB PRO 6 4.020 -4.291 -1.633
23 2HB PRO 6 1HB PRO 6 3.266 -5.631 -0.767
24 1HG PRO 6 2HG PRO 6 2.935 -4.780 -3.607
25 2HG PRO 6 1HG PRO 6 2.989 -6.416 -2.922
26 1HD PRO 6 2HD PRO 6 0.675 -5.311 -3.671
27 2HD PRO 6 1HD PRO 6 0.775 -6.326 -2.215
28 H ARG 7 H ARG 7 1.872 -2.406 -3.060
29 HA ARG 7 HA ARG 7 3.417 -0.201 -1.890
30 1HB ARG 7 2HB ARG 7 2.440 -0.741 -4.683
31 2HB ARG 7 1HB ARG 7 3.257 0.732 -4.187
32 1HG ARG 7 2HG ARG 7 5.266 -0.238 -4.122
33 2HG ARG 7 1HG ARG 7 4.626 -1.756 -3.487
34 1HD ARG 7 2HD ARG 7 4.598 -0.799 -6.346
35 2HD ARG 7 1HD ARG 7 5.451 -2.196 -5.690
36 HE ARG 7 HE ARG 7 2.642 -2.419 -5.248
37 1HH1 ARG 7 1HH1 ARG 7 5.067 -2.713 -7.759
38 2HH1 ARG 7 2HH1 ARG 7 4.149 -3.843 -8.692
39 1HH2 ARG 7 1HH2 ARG 7 1.423 -3.919 -6.456
40 2HH2 ARG 7 2HH2 ARG 7 2.070 -4.529 -7.953
41 1HN SEC 8 H SEC 8 0.634 -0.995 -1.365
42 HA SEC 8 HA SEC 8 -0.548 1.651 -1.642
43 1HB SEC 8 1HB SEC 8 -2.724 0.026 -1.901
44 2HB SEC 8 2HB SEC 8 -1.495 -0.878 -2.775
45 H ALA 9 H ALA 9 0.156 -1.098 0.204
46 HA ALA 9 HA ALA 9 -1.853 -0.914 2.185
47 1HB ALA 9 1HB ALA 9 0.149 -1.962 3.591
48 2HB ALA 9 2HB ALA 9 0.805 -2.216 1.973
49 3HB ALA 9 3HB ALA 9 -0.760 -2.903 2.406
50 H TRP 10 H TRP 10 1.240 0.590 1.641
51 HA TRP 10 HA TRP 10 0.837 2.284 3.981
52 1HB TRP 10 2HB TRP 10 3.166 3.200 3.208
53 2HB TRP 10 1HB TRP 10 3.041 1.723 4.137
54 HD1 TRP 10 HD TRP 10 4.459 -0.164 3.306
55 HE1 TRP 10 1HE TRP 10 5.682 -0.764 1.131
56 HE3 TRP 10 3HE TRP 10 2.687 3.577 0.264
57 HZ2 TRP 10 2HZ TRP 10 5.900 0.210 -1.491
58 HZ3 TRP 10 3HZ TRP 10 3.479 3.671 -2.049
59 HH2 TRP 10 HH TRP 10 5.047 2.017 -2.915
60 H ARG 11 H ARG 11 -0.910 2.469 1.921
61 HA ARG 11 HA ARG 11 -0.484 5.220 1.035
62 1HB ARG 11 2HB ARG 11 0.090 3.661 -0.828
63 2HB ARG 11 1HB ARG 11 -1.542 3.017 -0.748
64 1HG ARG 11 2HG ARG 11 -2.429 5.226 -1.339
65 2HG ARG 11 1HG ARG 11 -0.777 5.841 -1.458
66 1HD ARG 11 2HD ARG 11 -0.301 4.174 -3.198
67 2HD ARG 11 1HD ARG 11 -1.967 3.608 -3.098
68 HE ARG 11 HE ARG 11 -1.918 6.380 -3.627
69 1HH1 ARG 11 1HH1 ARG 11 -1.327 3.283 -5.138
70 2HH1 ARG 11 2HH1 ARG 11 -1.639 3.854 -6.744
71 1HH2 ARG 11 1HH2 ARG 11 -2.339 7.153 -5.752
72 2HH2 ARG 11 2HH2 ARG 11 -2.218 6.064 -7.094
73 1HN SEC 12 H SEC 12 -2.574 2.538 1.833
74 HA SEC 12 HA SEC 12 -5.030 4.051 1.659
75 1HB SEC 12 1HB SEC 12 -5.140 1.709 1.071
76 2HB SEC 12 2HB SEC 12 -6.017 1.916 2.588
Start of MODEL 11
1 1H GLY 1 H GLY 1 -10.501 0.866 0.101
2 1HA GLY 1 2HA GLY 1 -9.910 2.847 -1.354
3 2HA GLY 1 1HA GLY 1 -8.591 3.092 -0.217
4 1HN SEC 2 H SEC 2 -6.782 2.609 -1.289
5 HA SEC 2 HA SEC 2 -6.712 0.246 -3.012
6 1HB SEC 2 1HB SEC 2 -4.526 2.316 -2.646
7 2HB SEC 2 2HB SEC 2 -5.824 2.510 -3.825
8 1HN SEC 3 H SEC 3 -7.047 -0.571 -0.634
9 HA SEC 3 HA SEC 3 -4.523 -0.787 0.792
10 1HB SEC 3 1HB SEC 3 -6.973 -2.116 1.755
11 2HB SEC 3 2HB SEC 3 -7.022 -0.354 1.654
12 H SER 4 H SER 4 -5.575 -2.381 -1.703
13 HA SER 4 HA SER 4 -5.037 -5.071 -0.665
14 1HB SER 4 2HB SER 4 -6.295 -4.323 -3.306
15 2HB SER 4 1HB SER 4 -6.231 -5.927 -2.575
16 HG SER 4 HG SER 4 -7.542 -5.146 -0.891
17 H ASP 5 H ASP 5 -2.844 -3.193 -1.341
18 HA ASP 5 HA ASP 5 -1.338 -5.043 -2.981
19 1HB ASP 5 2HB ASP 5 -2.239 -3.616 -4.734
20 2HB ASP 5 1HB ASP 5 -1.730 -2.172 -3.879
21 HA PRO 6 HA PRO 6 1.779 -4.125 0.007
22 1HB PRO 6 2HB PRO 6 3.665 -4.330 -2.289
23 2HB PRO 6 1HB PRO 6 3.702 -5.151 -0.725
24 1HG PRO 6 2HG PRO 6 2.931 -6.452 -2.908
25 2HG PRO 6 1HG PRO 6 2.106 -6.714 -1.360
26 1HD PRO 6 2HD PRO 6 1.221 -5.145 -3.743
27 2HD PRO 6 1HD PRO 6 0.264 -6.137 -2.625
28 H ARG 7 H ARG 7 1.890 -2.383 -3.071
29 HA ARG 7 HA ARG 7 3.438 -0.197 -1.861
30 1HB ARG 7 2HB ARG 7 2.500 -0.685 -4.683
31 2HB ARG 7 1HB ARG 7 3.271 0.796 -4.152
32 1HG ARG 7 2HG ARG 7 4.967 -0.466 -5.153
33 2HG ARG 7 1HG ARG 7 5.209 -0.639 -3.410
34 1HD ARG 7 2HD ARG 7 5.379 -2.765 -4.822
35 2HD ARG 7 1HD ARG 7 4.345 -2.827 -3.396
36 HE ARG 7 HE ARG 7 2.486 -3.040 -4.753
37 1HH1 ARG 7 1HH1 ARG 7 5.283 -2.315 -6.744
38 2HH1 ARG 7 2HH1 ARG 7 4.443 -2.584 -8.232
39 1HH2 ARG 7 1HH2 ARG 7 1.375 -3.394 -6.680
40 2HH2 ARG 7 2HH2 ARG 7 2.207 -3.201 -8.199
41 1HN SEC 8 H SEC 8 0.646 -0.994 -1.379
42 HA SEC 8 HA SEC 8 -0.536 1.652 -1.650
43 1HB SEC 8 1HB SEC 8 -2.703 0.011 -1.918
44 2HB SEC 8 2HB SEC 8 -1.464 -0.879 -2.795
45 H ALA 9 H ALA 9 0.167 -1.096 0.200
46 HA ALA 9 HA ALA 9 -1.852 -0.918 2.171
47 1HB ALA 9 1HB ALA 9 0.810 -2.215 1.969
48 2HB ALA 9 2HB ALA 9 -0.757 -2.905 2.395
49 3HB ALA 9 3HB ALA 9 0.146 -1.965 3.584
50 H TRP 10 H TRP 10 1.241 0.594 1.644
51 HA TRP 10 HA TRP 10 0.827 2.277 3.989
52 1HB TRP 10 2HB TRP 10 3.157 3.199 3.228
53 2HB TRP 10 1HB TRP 10 3.029 1.718 4.150
54 HD1 TRP 10 HD TRP 10 4.430 -0.181 3.306
55 HE1 TRP 10 1HE TRP 10 5.662 -0.766 1.134
56 HE3 TRP 10 3HE TRP 10 2.714 3.613 0.301
57 HZ2 TRP 10 2HZ TRP 10 5.908 0.238 -1.475
58 HZ3 TRP 10 3HZ TRP 10 3.522 3.728 -2.007
59 HH2 TRP 10 HH TRP 10 5.080 2.070 -2.882
60 H ARG 11 H ARG 11 -0.907 2.462 1.909
61 HA ARG 11 HA ARG 11 -0.481 5.220 1.041
62 1HB ARG 11 2HB ARG 11 0.089 3.679 -0.831
63 2HB ARG 11 1HB ARG 11 -1.537 3.022 -0.748
64 1HG ARG 11 2HG ARG 11 -2.440 5.234 -1.319
65 2HG ARG 11 1HG ARG 11 -0.790 5.853 -1.452
66 1HD ARG 11 2HD ARG 11 -0.328 4.198 -3.206
67 2HD ARG 11 1HD ARG 11 -1.988 3.620 -3.087
68 HE ARG 11 HE ARG 11 -1.963 6.396 -3.603
69 1HH1 ARG 11 1HH1 ARG 11 -1.385 3.308 -5.137
70 2HH1 ARG 11 2HH1 ARG 11 -1.727 3.884 -6.735
71 1HH2 ARG 11 1HH2 ARG 11 -2.423 7.175 -5.718
72 2HH2 ARG 11 2HH2 ARG 11 -2.320 6.092 -7.067
73 1HN SEC 12 H SEC 12 -2.573 2.542 1.836
74 HA SEC 12 HA SEC 12 -5.027 4.060 1.666
75 1HB SEC 12 1HB SEC 12 -5.139 1.717 1.075
76 2HB SEC 12 2HB SEC 12 -6.017 1.925 2.593
Start of MODEL 12
1 1H GLY 1 H GLY 1 -9.019 3.007 1.414
2 1HA GLY 1 2HA GLY 1 -10.054 1.310 0.036
3 2HA GLY 1 1HA GLY 1 -9.805 2.726 -0.976
4 1HN SEC 2 H SEC 2 -6.944 2.446 -1.080
5 HA SEC 2 HA SEC 2 -6.790 0.300 -3.065
6 1HB SEC 2 1HB SEC 2 -4.781 2.499 -2.496
7 2HB SEC 2 2HB SEC 2 -6.098 2.658 -3.658
8 1HN SEC 3 H SEC 3 -6.967 -0.666 -0.616
9 HA SEC 3 HA SEC 3 -4.312 -1.067 0.502
10 1HB SEC 3 1HB SEC 3 -6.699 -2.441 1.574
11 2HB SEC 3 2HB SEC 3 -6.680 -0.680 1.682
12 H SER 4 H SER 4 -5.703 -2.346 -1.996
13 HA SER 4 HA SER 4 -5.446 -5.167 -1.401
14 1HB SER 4 2HB SER 4 -6.053 -3.875 -4.062
15 2HB SER 4 1HB SER 4 -6.381 -5.539 -3.578
16 HG SER 4 HG SER 4 -8.198 -4.863 -2.797
17 H ASP 5 H ASP 5 -3.061 -3.212 -1.626
18 HA ASP 5 HA ASP 5 -1.350 -5.093 -3.016
19 1HB ASP 5 2HB ASP 5 -2.041 -3.500 -4.807
20 2HB ASP 5 1HB ASP 5 -1.393 -2.178 -3.848
21 HA PRO 6 HA PRO 6 1.091 -4.110 0.531
22 1HB PRO 6 2HB PRO 6 3.403 -4.852 -1.173
23 2HB PRO 6 1HB PRO 6 2.909 -5.500 0.394
24 1HG PRO 6 2HG PRO 6 2.540 -6.902 -1.845
25 2HG PRO 6 1HG PRO 6 1.338 -6.924 -0.541
26 1HD PRO 6 2HD PRO 6 1.283 -5.458 -3.147
27 2HD PRO 6 1HD PRO 6 -0.039 -6.264 -2.277
28 H ARG 7 H ARG 7 2.000 -2.876 -2.621
29 HA ARG 7 HA ARG 7 3.775 -0.866 -1.567
30 1HB ARG 7 2HB ARG 7 2.533 -1.348 -4.263
31 2HB ARG 7 1HB ARG 7 3.497 0.087 -3.923
32 1HG ARG 7 2HG ARG 7 5.418 -1.094 -3.665
33 2HG ARG 7 1HG ARG 7 4.577 -2.602 -3.306
34 1HD ARG 7 2HD ARG 7 4.812 -1.230 -5.981
35 2HD ARG 7 1HD ARG 7 5.523 -2.774 -5.513
36 HE ARG 7 HE ARG 7 2.711 -2.894 -5.200
37 1HH1 ARG 7 1HH1 ARG 7 5.162 -2.801 -7.702
38 2HH1 ARG 7 2HH1 ARG 7 4.189 -3.629 -8.868
39 1HH2 ARG 7 1HH2 ARG 7 1.411 -3.981 -6.726
40 2HH2 ARG 7 2HH2 ARG 7 2.052 -4.304 -8.314
41 1HN SEC 8 H SEC 8 0.453 -1.181 -2.377
42 HA SEC 8 HA SEC 8 -0.065 1.668 -2.133
43 1HB SEC 8 1HB SEC 8 -2.410 -0.034 -2.282
44 2HB SEC 8 2HB SEC 8 -1.240 -0.427 -3.540
45 H ALA 9 H ALA 9 0.444 -0.789 -0.093
46 HA ALA 9 HA ALA 9 -1.645 -0.533 1.793
47 1HB ALA 9 1HB ALA 9 0.462 -1.384 3.290
48 2HB ALA 9 2HB ALA 9 0.953 -1.879 1.670
49 3HB ALA 9 3HB ALA 9 -0.584 -2.433 2.334
50 H TRP 10 H TRP 10 1.138 1.376 1.079
51 HA TRP 10 HA TRP 10 1.173 2.674 3.658
52 1HB TRP 10 2HB TRP 10 3.113 3.653 2.998
53 2HB TRP 10 1HB TRP 10 3.078 2.454 1.721
54 HD1 TRP 10 HD TRP 10 3.856 5.860 2.170
55 HE1 TRP 10 1HE TRP 10 3.594 7.284 0.055
56 HE3 TRP 10 3HE TRP 10 0.961 2.693 -0.629
57 HZ2 TRP 10 2HZ TRP 10 2.343 7.113 -2.451
58 HZ3 TRP 10 3HZ TRP 10 0.280 3.411 -2.876
59 HH2 TRP 10 HH TRP 10 0.957 5.577 -3.769
60 H ARG 11 H ARG 11 -0.548 2.811 0.771
61 HA ARG 11 HA ARG 11 -1.287 5.543 0.860
62 1HB ARG 11 2HB ARG 11 -1.265 4.152 -1.226
63 2HB ARG 11 1HB ARG 11 -2.703 3.339 -0.624
64 1HG ARG 11 2HG ARG 11 -3.949 5.398 -0.678
65 2HG ARG 11 1HG ARG 11 -2.502 6.298 -1.138
66 1HD ARG 11 2HD ARG 11 -2.379 4.922 -3.205
67 2HD ARG 11 1HD ARG 11 -3.911 4.177 -2.755
68 HE ARG 11 HE ARG 11 -4.973 6.015 -3.570
69 1HH1 ARG 11 1HH1 ARG 11 -1.659 6.906 -2.885
70 2HH1 ARG 11 2HH1 ARG 11 -1.830 8.523 -3.483
71 1HH2 ARG 11 1HH2 ARG 11 -5.207 8.151 -4.369
72 2HH2 ARG 11 2HH2 ARG 11 -3.855 9.232 -4.332
73 1HN SEC 12 H SEC 12 -2.715 2.489 1.848
74 HA SEC 12 HA SEC 12 -5.109 3.759 2.885
75 1HB SEC 12 1HB SEC 12 -5.389 1.603 1.823
76 2HB SEC 12 2HB SEC 12 -5.720 1.417 3.546
Start of MODEL 13
1 1H GLY 1 H GLY 1 -9.741 4.019 -1.262
2 1HA GLY 1 2HA GLY 1 -9.177 1.878 0.530
3 2HA GLY 1 1HA GLY 1 -10.386 1.875 -0.747
4 1HN SEC 2 H SEC 2 -6.940 2.421 -1.157
5 HA SEC 2 HA SEC 2 -6.823 0.086 -2.919
6 1HB SEC 2 1HB SEC 2 -4.695 2.215 -2.559
7 2HB SEC 2 2HB SEC 2 -6.026 2.396 -3.702
8 1HN SEC 3 H SEC 3 -7.098 -0.745 -0.524
9 HA SEC 3 HA SEC 3 -4.537 -0.927 0.839
10 1HB SEC 3 1HB SEC 3 -6.929 -2.325 1.847
11 2HB SEC 3 2HB SEC 3 -7.022 -0.564 1.768
12 H SER 4 H SER 4 -5.627 -2.518 -1.644
13 HA SER 4 HA SER 4 -4.981 -5.206 -0.655
14 1HB SER 4 2HB SER 4 -6.320 -4.472 -3.261
15 2HB SER 4 1HB SER 4 -6.206 -6.075 -2.533
16 HG SER 4 HG SER 4 -7.519 -5.354 -0.845
17 H ASP 5 H ASP 5 -2.862 -3.290 -1.298
18 HA ASP 5 HA ASP 5 -1.339 -5.003 -3.066
19 1HB ASP 5 2HB ASP 5 -2.217 -3.587 -4.761
20 2HB ASP 5 1HB ASP 5 -1.949 -2.144 -3.801
21 HA PRO 6 HA PRO 6 1.833 -4.246 -0.133
22 1HB PRO 6 2HB PRO 6 3.988 -4.190 -1.919
23 2HB PRO 6 1HB PRO 6 3.333 -5.612 -1.104
24 1HG PRO 6 2HG PRO 6 2.811 -4.593 -3.858
25 2HG PRO 6 1HG PRO 6 2.943 -6.266 -3.283
26 1HD PRO 6 2HD PRO 6 0.564 -5.193 -3.833
27 2HD PRO 6 1HD PRO 6 0.773 -6.273 -2.437
28 H ARG 7 H ARG 7 1.982 -2.193 -3.057
29 HA ARG 7 HA ARG 7 3.515 -0.200 -1.538
30 1HB ARG 7 2HB ARG 7 3.973 0.879 -3.496
31 2HB ARG 7 1HB ARG 7 3.932 -0.799 -4.012
32 1HG ARG 7 2HG ARG 7 1.360 -0.025 -4.438
33 2HG ARG 7 1HG ARG 7 2.235 1.473 -4.759
34 1HD ARG 7 2HD ARG 7 2.319 0.538 -6.839
35 2HD ARG 7 1HD ARG 7 3.785 -0.162 -6.151
36 HE ARG 7 HE ARG 7 1.540 -1.818 -5.627
37 1HH1 ARG 7 1HH1 ARG 7 3.741 -0.912 -8.204
38 2HH1 ARG 7 2HH1 ARG 7 3.501 -2.377 -9.094
39 1HH2 ARG 7 1HH2 ARG 7 1.204 -3.726 -6.775
40 2HH2 ARG 7 2HH2 ARG 7 2.047 -3.994 -8.279
41 1HN SEC 8 H SEC 8 0.491 -1.008 -1.934
42 HA SEC 8 HA SEC 8 -0.607 1.688 -1.757
43 1HB SEC 8 1HB SEC 8 -2.752 -0.016 -1.947
44 2HB SEC 8 2HB SEC 8 -1.517 -0.832 -2.900
45 H ALA 9 H ALA 9 0.139 -1.088 0.035
46 HA ALA 9 HA ALA 9 -1.806 -0.936 2.076
47 1HB ALA 9 1HB ALA 9 0.859 -2.215 1.771
48 2HB ALA 9 2HB ALA 9 -0.690 -2.925 2.230
49 3HB ALA 9 3HB ALA 9 0.240 -1.997 3.408
50 H TRP 10 H TRP 10 1.188 0.661 1.390
51 HA TRP 10 HA TRP 10 0.944 2.227 3.829
52 1HB TRP 10 2HB TRP 10 3.183 3.197 3.085
53 2HB TRP 10 1HB TRP 10 3.146 1.555 3.677
54 HD1 TRP 10 HD TRP 10 4.357 -0.173 2.300
55 HE1 TRP 10 1HE TRP 10 5.499 -0.220 0.002
56 HE3 TRP 10 3HE TRP 10 2.743 4.331 0.467
57 HZ2 TRP 10 2HZ TRP 10 5.714 1.425 -2.269
58 HZ3 TRP 10 3HZ TRP 10 3.483 5.021 -1.768
59 HH2 TRP 10 HH TRP 10 4.933 3.593 -3.113
60 H ARG 11 H ARG 11 -0.934 2.427 1.803
61 HA ARG 11 HA ARG 11 -0.675 5.264 1.132
62 1HB ARG 11 2HB ARG 11 -0.246 3.862 -0.897
63 2HB ARG 11 1HB ARG 11 -1.857 3.182 -0.721
64 1HG ARG 11 2HG ARG 11 -1.796 4.935 -2.412
65 2HG ARG 11 1HG ARG 11 -2.843 5.377 -1.061
66 1HD ARG 11 2HD ARG 11 -1.437 7.253 -1.795
67 2HD ARG 11 1HD ARG 11 -1.101 6.781 -0.130
68 HE ARG 11 HE ARG 11 0.667 5.422 -1.836
69 1HH1 ARG 11 1HH1 ARG 11 0.016 8.645 -0.656
70 2HH1 ARG 11 2HH1 ARG 11 1.655 9.182 -0.816
71 1HH2 ARG 11 1HH2 ARG 11 2.841 6.118 -2.052
72 2HH2 ARG 11 2HH2 ARG 11 3.269 7.737 -1.614
73 1HN SEC 12 H SEC 12 -2.645 2.467 1.864
74 HA SEC 12 HA SEC 12 -5.119 3.953 2.052
75 1HB SEC 12 1HB SEC 12 -5.230 1.660 1.264
76 2HB SEC 12 2HB SEC 12 -6.014 1.737 2.844
Start of MODEL 14
1 1H GLY 1 H GLY 1 -10.978 1.682 -1.469
2 1HA GLY 1 2HA GLY 1 -8.827 3.197 -0.279
3 2HA GLY 1 1HA GLY 1 -9.329 1.799 0.662
4 1HN SEC 2 H SEC 2 -6.886 2.575 -1.049
5 HA SEC 2 HA SEC 2 -6.835 0.278 -2.856
6 1HB SEC 2 1HB SEC 2 -4.740 2.448 -2.518
7 2HB SEC 2 2HB SEC 2 -6.065 2.549 -3.678
8 1HN SEC 3 H SEC 3 -7.022 -0.628 -0.495
9 HA SEC 3 HA SEC 3 -4.418 -0.846 0.781
10 1HB SEC 3 1HB SEC 3 -6.790 -2.254 1.823
11 2HB SEC 3 2HB SEC 3 -6.874 -0.493 1.790
12 H SER 4 H SER 4 -5.612 -2.355 -1.708
13 HA SER 4 HA SER 4 -5.114 -5.098 -0.843
14 1HB SER 4 2HB SER 4 -6.178 -4.153 -3.503
15 2HB SER 4 1HB SER 4 -6.242 -5.789 -2.845
16 HG SER 4 HG SER 4 -7.857 -5.236 -1.577
17 H ASP 5 H ASP 5 -2.838 -3.177 -1.392
18 HA ASP 5 HA ASP 5 -1.291 -5.046 -2.980
19 1HB ASP 5 2HB ASP 5 -2.115 -3.545 -4.738
20 2HB ASP 5 1HB ASP 5 -1.526 -2.152 -3.848
21 HA PRO 6 HA PRO 6 1.737 -4.085 0.098
22 1HB PRO 6 2HB PRO 6 4.011 -4.281 -1.506
23 2HB PRO 6 1HB PRO 6 3.235 -5.613 -0.648
24 1HG PRO 6 2HG PRO 6 2.978 -4.791 -3.504
25 2HG PRO 6 1HG PRO 6 3.014 -6.419 -2.801
26 1HD PRO 6 2HD PRO 6 0.721 -5.319 -3.622
27 2HD PRO 6 1HD PRO 6 0.782 -6.324 -2.158
28 H ARG 7 H ARG 7 1.921 -2.430 -3.022
29 HA ARG 7 HA ARG 7 3.462 -0.220 -1.878
30 1HB ARG 7 2HB ARG 7 2.436 -0.786 -4.644
31 2HB ARG 7 1HB ARG 7 3.227 0.714 -4.186
32 1HG ARG 7 2HG ARG 7 5.260 -0.213 -4.121
33 2HG ARG 7 1HG ARG 7 4.656 -1.745 -3.482
34 1HD ARG 7 2HD ARG 7 4.585 -0.787 -6.339
35 2HD ARG 7 1HD ARG 7 5.472 -2.166 -5.692
36 HE ARG 7 HE ARG 7 2.662 -2.432 -5.239
37 1HH1 ARG 7 1HH1 ARG 7 5.108 -2.731 -7.729
38 2HH1 ARG 7 2HH1 ARG 7 4.209 -3.886 -8.654
39 1HH2 ARG 7 1HH2 ARG 7 1.469 -3.963 -6.434
40 2HH2 ARG 7 2HH2 ARG 7 2.134 -4.586 -7.918
41 1HN SEC 8 H SEC 8 0.572 -1.028 -1.459
42 HA SEC 8 HA SEC 8 -0.501 1.678 -1.642
43 1HB SEC 8 1HB SEC 8 -2.697 -0.019 -1.907
44 2HB SEC 8 2HB SEC 8 -1.461 -0.720 -2.947
45 H ALA 9 H ALA 9 0.225 -1.051 0.146
46 HA ALA 9 HA ALA 9 -1.762 -0.929 2.163
47 1HB ALA 9 1HB ALA 9 0.892 -2.222 1.858
48 2HB ALA 9 2HB ALA 9 -0.655 -2.916 2.346
49 3HB ALA 9 3HB ALA 9 0.297 -1.981 3.501
50 H TRP 10 H TRP 10 1.284 0.620 1.529
51 HA TRP 10 HA TRP 10 0.960 2.244 3.925
52 1HB TRP 10 2HB TRP 10 3.231 3.230 3.064
53 2HB TRP 10 1HB TRP 10 3.172 1.738 3.974
54 HD1 TRP 10 HD TRP 10 4.527 -0.156 3.038
55 HE1 TRP 10 1HE TRP 10 5.707 -0.674 0.820
56 HE3 TRP 10 3HE TRP 10 2.723 3.711 0.184
57 HZ2 TRP 10 2HZ TRP 10 5.885 0.406 -1.765
58 HZ3 TRP 10 3HZ TRP 10 3.475 3.899 -2.137
59 HH2 TRP 10 HH TRP 10 5.018 2.274 -3.098
60 H ARG 11 H ARG 11 -0.820 2.384 1.783
61 HA ARG 11 HA ARG 11 -0.500 5.199 1.053
62 1HB ARG 11 2HB ARG 11 -0.012 3.829 -0.939
63 2HB ARG 11 1HB ARG 11 -1.574 3.037 -0.774
64 1HG ARG 11 2HG ARG 11 -1.641 4.737 -2.501
65 2HG ARG 11 1HG ARG 11 -2.699 5.172 -1.156
66 1HD ARG 11 2HD ARG 11 -0.859 6.605 -0.269
67 2HD ARG 11 1HD ARG 11 0.051 6.265 -1.740
68 HE ARG 11 HE ARG 11 -1.226 7.796 -2.832
69 1HH1 ARG 11 1HH1 ARG 11 -2.915 6.885 0.109
70 2HH1 ARG 11 2HH1 ARG 11 -4.189 8.039 -0.120
71 1HH2 ARG 11 1HH2 ARG 11 -2.917 9.311 -3.132
72 2HH2 ARG 11 2HH2 ARG 11 -4.193 9.415 -1.967
73 1HN SEC 12 H SEC 12 -2.530 2.476 1.859
74 HA SEC 12 HA SEC 12 -5.006 3.963 1.834
75 1HB SEC 12 1HB SEC 12 -5.128 1.633 1.224
76 2HB SEC 12 2HB SEC 12 -5.908 1.795 2.800
Start of MODEL 15
1 1H GLY 1 H GLY 1 -9.123 3.370 0.986
2 1HA GLY 1 2HA GLY 1 -10.135 1.522 -0.299
3 2HA GLY 1 1HA GLY 1 -9.733 2.865 -1.359
4 1HN SEC 2 H SEC 2 -6.905 2.488 -1.267
5 HA SEC 2 HA SEC 2 -6.690 0.165 -3.037
6 1HB SEC 2 1HB SEC 2 -4.624 2.332 -2.567
7 2HB SEC 2 2HB SEC 2 -5.908 2.492 -3.765
8 1HN SEC 3 H SEC 3 -7.049 -0.639 -0.613
9 HA SEC 3 HA SEC 3 -4.531 -0.846 0.816
10 1HB SEC 3 1HB SEC 3 -6.981 -2.195 1.759
11 2HB SEC 3 2HB SEC 3 -7.033 -0.434 1.668
12 H SER 4 H SER 4 -5.615 -2.471 -1.671
13 HA SER 4 HA SER 4 -4.949 -5.131 -0.618
14 1HB SER 4 2HB SER 4 -6.384 -4.455 -3.191
15 2HB SER 4 1HB SER 4 -6.189 -6.058 -2.479
16 HG SER 4 HG SER 4 -7.346 -5.162 -0.619
17 H ASP 5 H ASP 5 -2.845 -3.274 -1.284
18 HA ASP 5 HA ASP 5 -1.381 -4.973 -3.115
19 1HB ASP 5 2HB ASP 5 -2.258 -3.497 -4.758
20 2HB ASP 5 1HB ASP 5 -1.972 -2.085 -3.757
21 HA PRO 6 HA PRO 6 1.833 -4.308 -0.170
22 1HB PRO 6 2HB PRO 6 3.614 -4.374 -2.557
23 2HB PRO 6 1HB PRO 6 3.715 -5.289 -1.048
24 1HG PRO 6 2HG PRO 6 2.827 -6.451 -3.264
25 2HG PRO 6 1HG PRO 6 2.068 -6.793 -1.698
26 1HD PRO 6 2HD PRO 6 1.097 -5.082 -3.943
27 2HD PRO 6 1HD PRO 6 0.178 -6.120 -2.833
28 H ARG 7 H ARG 7 1.951 -2.340 -3.129
29 HA ARG 7 HA ARG 7 3.480 -0.286 -1.681
30 1HB ARG 7 2HB ARG 7 2.860 -0.707 -4.584
31 2HB ARG 7 1HB ARG 7 3.428 0.836 -3.967
32 1HG ARG 7 2HG ARG 7 5.527 0.105 -3.669
33 2HG ARG 7 1HG ARG 7 5.008 -1.506 -3.170
34 1HD ARG 7 2HD ARG 7 4.805 -0.579 -6.029
35 2HD ARG 7 1HD ARG 7 6.275 -1.313 -5.392
36 HE ARG 7 HE ARG 7 5.240 -3.361 -5.416
37 1HH1 ARG 7 1HH1 ARG 7 2.861 -0.910 -6.160
38 2HH1 ARG 7 2HH1 ARG 7 1.539 -2.030 -6.245
39 1HH2 ARG 7 1HH2 ARG 7 3.490 -4.854 -5.634
40 2HH2 ARG 7 2HH2 ARG 7 1.891 -4.249 -5.969
41 1HN SEC 8 H SEC 8 0.674 -0.999 -1.381
42 HA SEC 8 HA SEC 8 -0.434 1.685 -1.644
43 1HB SEC 8 1HB SEC 8 -2.600 -0.042 -1.973
44 2HB SEC 8 2HB SEC 8 -1.319 -0.724 -2.972
45 H ALA 9 H ALA 9 0.213 -1.052 0.197
46 HA ALA 9 HA ALA 9 -1.866 -0.930 2.109
47 1HB ALA 9 1HB ALA 9 0.160 -1.906 3.567
48 2HB ALA 9 2HB ALA 9 0.811 -2.183 1.951
49 3HB ALA 9 3HB ALA 9 -0.743 -2.882 2.409
50 H TRP 10 H TRP 10 1.163 0.691 1.624
51 HA TRP 10 HA TRP 10 0.686 2.338 3.981
52 1HB TRP 10 2HB TRP 10 2.985 3.344 3.241
53 2HB TRP 10 1HB TRP 10 2.903 1.846 4.142
54 HD1 TRP 10 HD TRP 10 4.316 -0.033 3.255
55 HE1 TRP 10 1HE TRP 10 5.586 -0.531 1.082
56 HE3 TRP 10 3HE TRP 10 2.593 3.836 0.357
57 HZ2 TRP 10 2HZ TRP 10 5.856 0.565 -1.488
58 HZ3 TRP 10 3HZ TRP 10 3.432 4.040 -1.934
59 HH2 TRP 10 HH TRP 10 5.024 2.433 -2.843
60 H ARG 11 H ARG 11 -1.054 2.489 1.906
61 HA ARG 11 HA ARG 11 -0.705 5.265 1.061
62 1HB ARG 11 2HB ARG 11 -0.156 3.773 -0.855
63 2HB ARG 11 1HB ARG 11 -1.757 3.062 -0.731
64 1HG ARG 11 2HG ARG 11 -1.675 4.688 -2.521
65 2HG ARG 11 1HG ARG 11 -2.760 5.233 -1.240
66 1HD ARG 11 2HD ARG 11 -1.322 7.042 -2.107
67 2HD ARG 11 1HD ARG 11 -1.074 6.734 -0.390
68 HE ARG 11 HE ARG 11 1.097 6.284 -0.863
69 1HH1 ARG 11 1HH1 ARG 11 -0.745 5.711 -3.790
70 2HH1 ARG 11 2HH1 ARG 11 0.645 5.310 -4.740
71 1HH2 ARG 11 1HH2 ARG 11 2.934 5.777 -2.122
72 2HH2 ARG 11 2HH2 ARG 11 2.743 5.350 -3.791
73 1HN SEC 12 H SEC 12 -2.718 2.533 1.859
74 HA SEC 12 HA SEC 12 -5.209 3.997 1.766
75 1HB SEC 12 1HB SEC 12 -5.255 1.655 1.145
76 2HB SEC 12 2HB SEC 12 -6.130 1.829 2.669
Start of MODEL 16
1 1H GLY 1 H GLY 1 -8.768 3.240 1.634
2 1HA GLY 1 2HA GLY 1 -9.914 1.436 0.447
3 2HA GLY 1 1HA GLY 1 -9.719 2.807 -0.635
4 1HN SEC 2 H SEC 2 -6.904 2.516 -1.002
5 HA SEC 2 HA SEC 2 -6.910 0.224 -2.828
6 1HB SEC 2 1HB SEC 2 -4.990 2.571 -2.633
7 2HB SEC 2 2HB SEC 2 -6.324 2.444 -3.779
8 1HN SEC 3 H SEC 3 -6.821 -0.600 -0.343
9 HA SEC 3 HA SEC 3 -4.054 -0.754 0.537
10 1HB SEC 3 1HB SEC 3 -6.207 -2.166 1.977
11 2HB SEC 3 2HB SEC 3 -6.332 -0.407 1.902
12 H SER 4 H SER 4 -5.642 -2.362 -1.665
13 HA SER 4 HA SER 4 -5.051 -5.083 -0.861
14 1HB SER 4 2HB SER 4 -6.153 -4.120 -3.502
15 2HB SER 4 1HB SER 4 -6.248 -5.748 -2.829
16 HG SER 4 HG SER 4 -8.007 -5.135 -1.882
17 H ASP 5 H ASP 5 -2.785 -3.199 -1.413
18 HA ASP 5 HA ASP 5 -1.268 -5.024 -3.071
19 1HB ASP 5 2HB ASP 5 -2.083 -3.536 -4.802
20 2HB ASP 5 1HB ASP 5 -1.619 -2.122 -3.867
21 HA PRO 6 HA PRO 6 1.791 -4.280 0.020
22 1HB PRO 6 2HB PRO 6 3.707 -4.381 -2.261
23 2HB PRO 6 1HB PRO 6 3.732 -5.262 -0.729
24 1HG PRO 6 2HG PRO 6 2.980 -6.481 -2.963
25 2HG PRO 6 1HG PRO 6 2.140 -6.798 -1.434
26 1HD PRO 6 2HD PRO 6 1.274 -5.155 -3.770
27 2HD PRO 6 1HD PRO 6 0.307 -6.169 -2.681
28 H ARG 7 H ARG 7 2.002 -2.373 -2.965
29 HA ARG 7 HA ARG 7 3.467 -0.261 -1.521
30 1HB ARG 7 2HB ARG 7 2.873 -0.646 -4.445
31 2HB ARG 7 1HB ARG 7 3.658 0.768 -3.764
32 1HG ARG 7 2HG ARG 7 5.560 -0.418 -3.166
33 2HG ARG 7 1HG ARG 7 4.744 -1.977 -3.317
34 1HD ARG 7 2HD ARG 7 5.834 -0.190 -5.448
35 2HD ARG 7 1HD ARG 7 5.992 -1.935 -5.264
36 HE ARG 7 HE ARG 7 4.047 -0.583 -6.787
37 1HH1 ARG 7 1HH1 ARG 7 4.365 -3.393 -4.711
38 2HH1 ARG 7 2HH1 ARG 7 2.911 -4.135 -5.290
39 1HH2 ARG 7 1HH2 ARG 7 2.145 -1.602 -7.565
40 2HH2 ARG 7 2HH2 ARG 7 1.632 -3.112 -6.875
41 1HN SEC 8 H SEC 8 0.585 -1.002 -1.440
42 HA SEC 8 HA SEC 8 -0.443 1.707 -1.772
43 1HB SEC 8 1HB SEC 8 -2.499 -0.266 -2.308
44 2HB SEC 8 2HB SEC 8 -1.145 -0.441 -3.426
45 H ALA 9 H ALA 9 -0.029 -1.097 0.041
46 HA ALA 9 HA ALA 9 -2.212 -0.967 1.820
47 1HB ALA 9 1HB ALA 9 -0.130 -2.690 1.495
48 2HB ALA 9 2HB ALA 9 -1.190 -2.670 2.904
49 3HB ALA 9 3HB ALA 9 0.360 -1.830 2.954
50 H TRP 10 H TRP 10 1.017 0.405 1.799
51 HA TRP 10 HA TRP 10 0.331 2.094 4.060
52 1HB TRP 10 2HB TRP 10 2.748 2.973 3.611
53 2HB TRP 10 1HB TRP 10 2.485 1.456 4.441
54 HD1 TRP 10 HD TRP 10 3.981 -0.405 3.700
55 HE1 TRP 10 1HE TRP 10 5.426 -0.935 1.646
56 HE3 TRP 10 3HE TRP 10 2.584 3.481 0.646
57 HZ2 TRP 10 2HZ TRP 10 5.936 0.139 -0.895
58 HZ3 TRP 10 3HZ TRP 10 3.624 3.654 -1.564
59 HH2 TRP 10 HH TRP 10 5.259 2.013 -2.325
60 H ARG 11 H ARG 11 -1.161 2.397 1.816
61 HA ARG 11 HA ARG 11 -0.631 5.181 1.174
62 1HB ARG 11 2HB ARG 11 0.310 3.762 -0.670
63 2HB ARG 11 1HB ARG 11 -1.311 3.152 -0.962
64 1HG ARG 11 2HG ARG 11 -0.675 4.918 -2.535
65 2HG ARG 11 1HG ARG 11 -2.077 5.365 -1.559
66 1HD ARG 11 2HD ARG 11 -0.480 7.220 -1.792
67 2HD ARG 11 1HD ARG 11 -0.681 6.720 -0.115
68 HE ARG 11 HE ARG 11 1.535 6.224 -0.057
69 1HH1 ARG 11 1HH1 ARG 11 0.533 6.210 -3.413
70 2HH1 ARG 11 2HH1 ARG 11 2.130 5.941 -4.025
71 1HH2 ARG 11 1HH2 ARG 11 3.647 5.876 -0.858
72 2HH2 ARG 11 2HH2 ARG 11 3.908 5.751 -2.566
73 1HN SEC 12 H SEC 12 -2.678 2.682 2.066
74 HA SEC 12 HA SEC 12 -5.148 3.821 1.098
75 1HB SEC 12 1HB SEC 12 -4.689 1.318 1.342
76 2HB SEC 12 2HB SEC 12 -6.208 1.894 2.030
Start of MODEL 17
1 1H GLY 1 H GLY 1 -9.783 3.998 -0.860
2 1HA GLY 1 2HA GLY 1 -9.192 1.731 0.757
3 2HA GLY 1 1HA GLY 1 -10.407 1.815 -0.511
4 1HN SEC 2 H SEC 2 -6.999 2.468 -0.957
5 HA SEC 2 HA SEC 2 -6.850 0.238 -2.849
6 1HB SEC 2 1HB SEC 2 -4.852 2.480 -2.406
7 2HB SEC 2 2HB SEC 2 -6.164 2.562 -3.581
8 1HN SEC 3 H SEC 3 -7.021 -0.708 -0.470
9 HA SEC 3 HA SEC 3 -4.403 -0.902 0.774
10 1HB SEC 3 1HB SEC 3 -6.747 -2.357 1.819
11 2HB SEC 3 2HB SEC 3 -6.857 -0.597 1.803
12 H SER 4 H SER 4 -5.626 -2.409 -1.714
13 HA SER 4 HA SER 4 -5.062 -5.149 -0.886
14 1HB SER 4 2HB SER 4 -6.160 -4.197 -3.530
15 2HB SER 4 1HB SER 4 -6.197 -5.837 -2.883
16 HG SER 4 HG SER 4 -7.847 -5.327 -1.664
17 H ASP 5 H ASP 5 -2.820 -3.201 -1.408
18 HA ASP 5 HA ASP 5 -1.260 -5.010 -3.051
19 1HB ASP 5 2HB ASP 5 -2.113 -3.475 -4.765
20 2HB ASP 5 1HB ASP 5 -1.538 -2.097 -3.841
21 HA PRO 6 HA PRO 6 1.781 -4.098 0.034
22 1HB PRO 6 2HB PRO 6 3.732 -4.276 -2.206
23 2HB PRO 6 1HB PRO 6 3.722 -5.118 -0.652
24 1HG PRO 6 2HG PRO 6 3.033 -6.391 -2.883
25 2HG PRO 6 1HG PRO 6 2.165 -6.687 -1.364
26 1HD PRO 6 2HD PRO 6 1.336 -5.082 -3.742
27 2HD PRO 6 1HD PRO 6 0.356 -6.107 -2.675
28 H ARG 7 H ARG 7 1.911 -2.375 -3.049
29 HA ARG 7 HA ARG 7 3.435 -0.170 -1.870
30 1HB ARG 7 2HB ARG 7 2.427 -0.700 -4.651
31 2HB ARG 7 1HB ARG 7 3.210 0.793 -4.162
32 1HG ARG 7 2HG ARG 7 5.246 -0.126 -4.107
33 2HG ARG 7 1HG ARG 7 4.647 -1.671 -3.500
34 1HD ARG 7 2HD ARG 7 4.587 -0.658 -6.338
35 2HD ARG 7 1HD ARG 7 5.466 -2.054 -5.713
36 HE ARG 7 HE ARG 7 2.660 -2.329 -5.268
37 1HH1 ARG 7 1HH1 ARG 7 5.086 -2.544 -7.788
38 2HH1 ARG 7 2HH1 ARG 7 4.182 -3.672 -8.739
39 1HH2 ARG 7 1HH2 ARG 7 1.460 -3.823 -6.500
40 2HH2 ARG 7 2HH2 ARG 7 2.114 -4.398 -8.010
41 1HN SEC 8 H SEC 8 0.604 -0.995 -1.388
42 HA SEC 8 HA SEC 8 -0.509 1.686 -1.541
43 1HB SEC 8 1HB SEC 8 -2.678 -0.063 -1.905
44 2HB SEC 8 2HB SEC 8 -1.416 -0.615 -3.005
45 H ALA 9 H ALA 9 0.255 -1.038 0.206
46 HA ALA 9 HA ALA 9 -1.790 -1.016 2.175
47 1HB ALA 9 1HB ALA 9 0.912 -2.216 1.920
48 2HB ALA 9 2HB ALA 9 -0.620 -2.966 2.371
49 3HB ALA 9 3HB ALA 9 0.275 -2.008 3.552
50 H TRP 10 H TRP 10 1.233 0.608 1.638
51 HA TRP 10 HA TRP 10 0.784 2.259 3.998
52 1HB TRP 10 2HB TRP 10 3.079 3.256 3.210
53 2HB TRP 10 1HB TRP 10 3.005 1.778 4.142
54 HD1 TRP 10 HD TRP 10 4.444 -0.092 3.295
55 HE1 TRP 10 1HE TRP 10 5.680 -0.650 1.118
56 HE3 TRP 10 3HE TRP 10 2.610 3.647 0.285
57 HZ2 TRP 10 2HZ TRP 10 5.888 0.354 -1.495
58 HZ3 TRP 10 3HZ TRP 10 3.408 3.778 -2.025
59 HH2 TRP 10 HH TRP 10 5.007 2.160 -2.902
60 H ARG 11 H ARG 11 -0.964 2.385 1.884
61 HA ARG 11 HA ARG 11 -0.637 5.170 1.082
62 1HB ARG 11 2HB ARG 11 0.127 3.727 -0.792
63 2HB ARG 11 1HB ARG 11 -1.462 2.981 -0.835
64 1HG ARG 11 2HG ARG 11 -2.475 4.894 -1.677
65 2HG ARG 11 1HG ARG 11 -1.145 5.938 -1.166
66 1HD ARG 11 2HD ARG 11 0.312 4.925 -2.832
67 2HD ARG 11 1HD ARG 11 -0.977 3.826 -3.316
68 HE ARG 11 HE ARG 11 -0.713 6.629 -3.994
69 1HH1 ARG 11 1HH1 ARG 11 -2.737 3.778 -4.000
70 2HH1 ARG 11 2HH1 ARG 11 -3.897 4.443 -5.102
71 1HH2 ARG 11 1HH2 ARG 11 -2.240 7.517 -5.458
72 2HH2 ARG 11 2HH2 ARG 11 -3.614 6.577 -5.933
73 1HN SEC 12 H SEC 12 -2.612 2.453 1.923
74 HA SEC 12 HA SEC 12 -5.143 3.782 1.498
75 1HB SEC 12 1HB SEC 12 -5.156 1.413 1.123
76 2HB SEC 12 2HB SEC 12 -6.023 1.670 2.640
Start of MODEL 18
1 1H GLY 1 H GLY 1 -8.833 3.063 1.759
2 1HA GLY 1 2HA GLY 1 -9.961 1.395 0.442
3 2HA GLY 1 1HA GLY 1 -9.746 2.794 -0.602
4 1HN SEC 2 H SEC 2 -6.941 2.528 -0.958
5 HA SEC 2 HA SEC 2 -6.909 0.262 -2.815
6 1HB SEC 2 1HB SEC 2 -5.026 2.634 -2.576
7 2HB SEC 2 2HB SEC 2 -6.345 2.496 -3.739
8 1HN SEC 3 H SEC 3 -6.825 -0.596 -0.342
9 HA SEC 3 HA SEC 3 -4.059 -0.727 0.547
10 1HB SEC 3 1HB SEC 3 -6.197 -2.168 1.977
11 2HB SEC 3 2HB SEC 3 -6.348 -0.412 1.907
12 H SER 4 H SER 4 -5.646 -2.337 -1.663
13 HA SER 4 HA SER 4 -5.021 -5.056 -0.879
14 1HB SER 4 2HB SER 4 -6.152 -4.090 -3.505
15 2HB SER 4 1HB SER 4 -6.226 -5.723 -2.841
16 HG SER 4 HG SER 4 -7.990 -5.132 -1.890
17 H ASP 5 H ASP 5 -2.758 -3.200 -1.392
18 HA ASP 5 HA ASP 5 -1.256 -4.978 -3.119
19 1HB ASP 5 2HB ASP 5 -2.020 -3.418 -4.800
20 2HB ASP 5 1HB ASP 5 -1.583 -2.045 -3.793
21 HA PRO 6 HA PRO 6 1.792 -4.277 0.001
22 1HB PRO 6 2HB PRO 6 4.049 -4.445 -1.635
23 2HB PRO 6 1HB PRO 6 3.248 -5.794 -0.826
24 1HG PRO 6 2HG PRO 6 2.994 -4.847 -3.641
25 2HG PRO 6 1HG PRO 6 2.973 -6.502 -3.003
26 1HD PRO 6 2HD PRO 6 0.720 -5.277 -3.768
27 2HD PRO 6 1HD PRO 6 0.748 -6.356 -2.356
28 H ARG 7 H ARG 7 1.885 -2.361 -2.968
29 HA ARG 7 HA ARG 7 3.451 -0.284 -1.575
30 1HB ARG 7 2HB ARG 7 2.818 -0.683 -4.490
31 2HB ARG 7 1HB ARG 7 3.519 0.786 -3.839
32 1HG ARG 7 2HG ARG 7 5.311 -0.462 -4.699
33 2HG ARG 7 1HG ARG 7 5.382 -0.643 -2.942
34 1HD ARG 7 2HD ARG 7 5.690 -2.748 -4.411
35 2HD ARG 7 1HD ARG 7 4.619 -2.844 -3.014
36 HE ARG 7 HE ARG 7 2.843 -3.176 -4.424
37 1HH1 ARG 7 1HH1 ARG 7 5.545 -2.042 -6.343
38 2HH1 ARG 7 2HH1 ARG 7 4.712 -2.236 -7.846
39 1HH2 ARG 7 1HH2 ARG 7 1.737 -3.428 -6.366
40 2HH2 ARG 7 2HH2 ARG 7 2.533 -3.029 -7.864
41 1HN SEC 8 H SEC 8 0.582 -0.992 -1.379
42 HA SEC 8 HA SEC 8 -0.432 1.718 -1.675
43 1HB SEC 8 1HB SEC 8 -2.507 -0.225 -2.256
44 2HB SEC 8 2HB SEC 8 -1.157 -0.372 -3.384
45 H ALA 9 H ALA 9 0.011 -1.088 0.097
46 HA ALA 9 HA ALA 9 -2.180 -1.013 1.877
47 1HB ALA 9 1HB ALA 9 -0.359 -2.844 1.571
48 2HB ALA 9 2HB ALA 9 -1.000 -2.543 3.186
49 3HB ALA 9 3HB ALA 9 0.565 -1.876 2.721
50 H TRP 10 H TRP 10 1.006 0.436 1.823
51 HA TRP 10 HA TRP 10 0.312 2.104 4.106
52 1HB TRP 10 2HB TRP 10 2.734 2.985 3.646
53 2HB TRP 10 1HB TRP 10 2.469 1.481 4.498
54 HD1 TRP 10 HD TRP 10 3.956 -0.396 3.777
55 HE1 TRP 10 1HE TRP 10 5.387 -0.965 1.725
56 HE3 TRP 10 3HE TRP 10 2.570 3.453 0.666
57 HZ2 TRP 10 2HZ TRP 10 5.892 0.068 -0.834
58 HZ3 TRP 10 3HZ TRP 10 3.600 3.587 -1.548
59 HH2 TRP 10 HH TRP 10 5.221 1.925 -2.290
60 H ARG 11 H ARG 11 -1.137 2.371 1.791
61 HA ARG 11 HA ARG 11 -0.619 5.163 1.149
62 1HB ARG 11 2HB ARG 11 0.431 3.830 -0.642
63 2HB ARG 11 1HB ARG 11 -1.100 3.021 -0.934
64 1HG ARG 11 2HG ARG 11 -2.094 5.111 -1.660
65 2HG ARG 11 1HG ARG 11 -0.590 5.965 -1.304
66 1HD ARG 11 2HD ARG 11 0.582 4.696 -2.986
67 2HD ARG 11 1HD ARG 11 -0.841 3.697 -3.276
68 HE ARG 11 HE ARG 11 -1.584 5.297 -4.699
69 1HH1 ARG 11 1HH1 ARG 11 0.666 6.815 -2.490
70 2HH1 ARG 11 2HH1 ARG 11 0.567 8.368 -3.247
71 1HH2 ARG 11 1HH2 ARG 11 -1.718 7.345 -5.710
72 2HH2 ARG 11 2HH2 ARG 11 -0.795 8.672 -5.087
73 1HN SEC 12 H SEC 12 -2.673 2.701 2.063
74 HA SEC 12 HA SEC 12 -5.115 3.768 0.955
75 1HB SEC 12 1HB SEC 12 -4.685 1.291 1.287
76 2HB SEC 12 2HB SEC 12 -6.198 1.882 1.974
Start of MODEL 19
1 1H GLY 1 H GLY 1 -9.119 2.906 1.376
2 1HA GLY 1 2HA GLY 1 -10.090 1.275 -0.116
3 2HA GLY 1 1HA GLY 1 -9.761 2.714 -1.071
4 1HN SEC 2 H SEC 2 -6.927 2.444 -1.086
5 HA SEC 2 HA SEC 2 -6.679 0.306 -3.071
6 1HB SEC 2 1HB SEC 2 -4.676 2.479 -2.411
7 2HB SEC 2 2HB SEC 2 -5.983 2.704 -3.572
8 1HN SEC 3 H SEC 3 -6.942 -0.615 -0.575
9 HA SEC 3 HA SEC 3 -4.319 -1.047 0.594
10 1HB SEC 3 1HB SEC 3 -6.747 -2.379 1.640
11 2HB SEC 3 2HB SEC 3 -6.694 -0.620 1.737
12 H SER 4 H SER 4 -5.810 -2.365 -1.879
13 HA SER 4 HA SER 4 -5.427 -5.170 -1.248
14 1HB SER 4 2HB SER 4 -6.237 -5.428 -3.664
15 2HB SER 4 1HB SER 4 -7.375 -4.738 -2.507
16 HG SER 4 HG SER 4 -5.974 -3.497 -4.594
17 H ASP 5 H ASP 5 -3.132 -3.258 -1.482
18 HA ASP 5 HA ASP 5 -1.449 -4.977 -3.092
19 1HB ASP 5 2HB ASP 5 -2.150 -3.358 -4.768
20 2HB ASP 5 1HB ASP 5 -1.739 -2.023 -3.699
21 HA PRO 6 HA PRO 6 1.118 -4.184 0.403
22 1HB PRO 6 2HB PRO 6 3.540 -4.921 -0.645
23 2HB PRO 6 1HB PRO 6 2.318 -6.063 -0.074
24 1HG PRO 6 2HG PRO 6 2.916 -5.161 -2.862
25 2HG PRO 6 1HG PRO 6 2.533 -6.788 -2.269
26 1HD PRO 6 2HD PRO 6 0.701 -5.249 -3.511
27 2HD PRO 6 1HD PRO 6 0.262 -6.364 -2.200
28 H ARG 7 H ARG 7 2.125 -2.820 -2.690
29 HA ARG 7 HA ARG 7 3.899 -0.927 -1.408
30 1HB ARG 7 2HB ARG 7 4.143 -1.808 -3.803
31 2HB ARG 7 1HB ARG 7 2.806 -0.737 -4.200
32 1HG ARG 7 2HG ARG 7 4.858 0.348 -4.772
33 2HG ARG 7 1HG ARG 7 4.133 1.179 -3.398
34 1HD ARG 7 2HD ARG 7 6.290 -0.909 -3.129
35 2HD ARG 7 1HD ARG 7 6.626 0.813 -3.274
36 HE ARG 7 HE ARG 7 5.811 -0.574 -0.936
37 1HH1 ARG 7 1HH1 ARG 7 5.477 2.510 -2.567
38 2HH1 ARG 7 2HH1 ARG 7 5.106 3.382 -1.119
39 1HH2 ARG 7 1HH2 ARG 7 5.333 0.580 0.980
40 2HH2 ARG 7 2HH2 ARG 7 5.032 2.285 0.903
41 1HN SEC 8 H SEC 8 0.634 -1.174 -2.450
42 HA SEC 8 HA SEC 8 0.106 1.676 -2.185
43 1HB SEC 8 1HB SEC 8 -2.203 -0.111 -2.431
44 2HB SEC 8 2HB SEC 8 -1.006 -0.324 -3.706
45 H ALA 9 H ALA 9 0.450 -0.856 -0.157
46 HA ALA 9 HA ALA 9 -1.685 -0.560 1.661
47 1HB ALA 9 1HB ALA 9 -0.709 -2.282 2.678
48 2HB ALA 9 2HB ALA 9 0.762 -1.355 2.967
49 3HB ALA 9 3HB ALA 9 0.547 -2.214 1.442
50 H TRP 10 H TRP 10 1.085 1.348 1.014
51 HA TRP 10 HA TRP 10 1.076 2.628 3.608
52 1HB TRP 10 2HB TRP 10 3.052 3.595 3.037
53 2HB TRP 10 1HB TRP 10 3.079 2.289 1.871
54 HD1 TRP 10 HD TRP 10 4.310 5.440 1.951
55 HE1 TRP 10 1HE TRP 10 4.197 6.760 -0.243
56 HE3 TRP 10 3HE TRP 10 0.685 2.739 -0.490
57 HZ2 TRP 10 2HZ TRP 10 2.794 6.689 -2.665
58 HZ3 TRP 10 3HZ TRP 10 0.034 3.449 -2.746
59 HH2 TRP 10 HH TRP 10 1.063 5.383 -3.812
60 H ARG 11 H ARG 11 -0.761 2.746 0.892
61 HA ARG 11 HA ARG 11 -1.352 5.563 0.929
62 1HB ARG 11 2HB ARG 11 -1.313 4.192 -1.170
63 2HB ARG 11 1HB ARG 11 -2.753 3.370 -0.593
64 1HG ARG 11 2HG ARG 11 -4.016 5.416 -0.682
65 2HG ARG 11 1HG ARG 11 -2.566 6.327 -1.116
66 1HD ARG 11 2HD ARG 11 -2.365 5.011 -3.172
67 2HD ARG 11 1HD ARG 11 -3.820 4.117 -2.740
68 HE ARG 11 HE ARG 11 -4.433 6.850 -2.775
69 1HH1 ARG 11 1HH1 ARG 11 -3.532 4.284 -4.976
70 2HH1 ARG 11 2HH1 ARG 11 -4.355 4.976 -6.335
71 1HH2 ARG 11 1HH2 ARG 11 -5.531 7.778 -4.569
72 2HH2 ARG 11 2HH2 ARG 11 -5.496 6.974 -6.102
73 1HN SEC 12 H SEC 12 -2.776 2.521 1.924
74 HA SEC 12 HA SEC 12 -5.195 3.783 2.911
75 1HB SEC 12 1HB SEC 12 -5.424 1.606 1.870
76 2HB SEC 12 2HB SEC 12 -5.799 1.450 3.588
Start of MODEL 20
1 1H GLY 1 H GLY 1 -10.924 1.491 -0.996
2 1HA GLY 1 2HA GLY 1 -8.789 3.078 0.091
3 2HA GLY 1 1HA GLY 1 -9.130 1.643 1.049
4 1HN SEC 2 H SEC 2 -6.859 2.559 -0.815
5 HA SEC 2 HA SEC 2 -6.844 0.301 -2.685
6 1HB SEC 2 1HB SEC 2 -4.939 2.655 -2.453
7 2HB SEC 2 2HB SEC 2 -6.279 2.542 -3.595
8 1HN SEC 3 H SEC 3 -6.739 -0.545 -0.181
9 HA SEC 3 HA SEC 3 -3.951 -0.721 0.635
10 1HB SEC 3 1HB SEC 3 -6.073 -2.119 2.133
11 2HB SEC 3 2HB SEC 3 -6.198 -0.361 2.058
12 H SER 4 H SER 4 -5.661 -2.297 -1.512
13 HA SER 4 HA SER 4 -5.031 -5.029 -0.780
14 1HB SER 4 2HB SER 4 -6.250 -4.070 -3.366
15 2HB SER 4 1HB SER 4 -6.375 -5.671 -2.634
16 HG SER 4 HG SER 4 -8.031 -4.973 -1.565
17 H ASP 5 H ASP 5 -2.791 -3.192 -1.346
18 HA ASP 5 HA ASP 5 -1.364 -4.913 -3.191
19 1HB ASP 5 2HB ASP 5 -2.129 -3.344 -4.815
20 2HB ASP 5 1HB ASP 5 -1.810 -1.978 -3.753
21 HA PRO 6 HA PRO 6 1.774 -4.403 -0.130
22 1HB PRO 6 2HB PRO 6 3.645 -4.498 -2.444
23 2HB PRO 6 1HB PRO 6 3.651 -5.440 -0.949
24 1HG PRO 6 2HG PRO 6 2.818 -6.524 -3.233
25 2HG PRO 6 1HG PRO 6 2.004 -6.889 -1.700
26 1HD PRO 6 2HD PRO 6 1.137 -5.116 -3.935
27 2HD PRO 6 1HD PRO 6 0.163 -6.140 -2.862
28 H ARG 7 H ARG 7 2.035 -2.409 -3.061
29 HA ARG 7 HA ARG 7 3.542 -0.407 -1.521
30 1HB ARG 7 2HB ARG 7 3.107 -0.811 -4.456
31 2HB ARG 7 1HB ARG 7 3.680 0.712 -3.797
32 1HG ARG 7 2HG ARG 7 5.732 -0.082 -3.372
33 2HG ARG 7 1HG ARG 7 5.137 -1.678 -2.908
34 1HD ARG 7 2HD ARG 7 5.070 -0.778 -5.775
35 2HD ARG 7 1HD ARG 7 6.545 -1.445 -5.080
36 HE ARG 7 HE ARG 7 5.602 -3.536 -5.141
37 1HH1 ARG 7 1HH1 ARG 7 3.097 -1.182 -5.849
38 2HH1 ARG 7 2HH1 ARG 7 1.846 -2.375 -6.033
39 1HH2 ARG 7 1HH2 ARG 7 3.959 -5.114 -5.492
40 2HH2 ARG 7 2HH2 ARG 7 2.346 -4.593 -5.876
41 1HN SEC 8 H SEC 8 0.670 -1.015 -1.425
42 HA SEC 8 HA SEC 8 -0.274 1.727 -1.738
43 1HB SEC 8 1HB SEC 8 -2.378 -0.222 -2.275
44 2HB SEC 8 2HB SEC 8 -1.060 -0.316 -3.448
45 H ALA 9 H ALA 9 0.054 -1.104 0.046
46 HA ALA 9 HA ALA 9 -2.127 -0.942 1.818
47 1HB ALA 9 1HB ALA 9 -1.113 -2.919 2.233
48 2HB ALA 9 2HB ALA 9 -0.137 -1.978 3.361
49 3HB ALA 9 3HB ALA 9 0.468 -2.318 1.740
50 H TRP 10 H TRP 10 1.101 0.421 1.798
51 HA TRP 10 HA TRP 10 0.456 2.060 4.105
52 1HB TRP 10 2HB TRP 10 2.864 2.946 3.608
53 2HB TRP 10 1HB TRP 10 2.615 1.414 4.416
54 HD1 TRP 10 HD TRP 10 4.003 -0.483 3.570
55 HE1 TRP 10 1HE TRP 10 5.400 -0.983 1.479
56 HE3 TRP 10 3HE TRP 10 2.706 3.562 0.673
57 HZ2 TRP 10 2HZ TRP 10 5.914 0.165 -1.022
58 HZ3 TRP 10 3HZ TRP 10 3.721 3.781 -1.541
59 HH2 TRP 10 HH TRP 10 5.288 2.111 -2.379
60 H ARG 11 H ARG 11 -0.998 2.363 1.725
61 HA ARG 11 HA ARG 11 -0.480 5.192 1.206
62 1HB ARG 11 2HB ARG 11 0.119 3.278 -0.670
63 2HB ARG 11 1HB ARG 11 -1.529 3.700 -1.109
64 1HG ARG 11 2HG ARG 11 0.730 5.669 -0.808
65 2HG ARG 11 1HG ARG 11 0.168 4.996 -2.338
66 1HD ARG 11 2HD ARG 11 -2.046 5.969 -1.944
67 2HD ARG 11 1HD ARG 11 -1.475 6.646 -0.421
68 HE ARG 11 HE ARG 11 0.194 7.522 -2.508
69 1HH1 ARG 11 1HH1 ARG 11 -3.053 7.947 -1.282
70 2HH1 ARG 11 2HH1 ARG 11 -3.226 9.556 -1.901
71 1HH2 ARG 11 1HH2 ARG 11 -0.014 9.661 -3.334
72 2HH2 ARG 11 2HH2 ARG 11 -1.487 10.535 -3.074
73 1HN SEC 12 H SEC 12 -2.526 2.720 2.125
74 HA SEC 12 HA SEC 12 -5.006 3.864 1.200
75 1HB SEC 12 1HB SEC 12 -4.564 1.368 1.448
76 2HB SEC 12 2HB SEC 12 -6.058 1.955 2.181