NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
647144 |
6kn3   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 11 HT1 GLY 11 2.126 4.923 -3.436
2 H2 GLY 11 HT2 GLY 11 2.536 4.846 -1.799
3 H3 GLY 11 HT3 GLY 11 0.990 4.401 -2.302
4 HA2 GLY 11 HA1 GLY 11 3.496 2.990 -2.976
5 HA3 GLY 11 HA2 GLY 11 2.295 2.456 -1.811
6 H PHE 12 HN PHE 12 2.607 3.388 -5.203
7 HA PHE 12 HA PHE 12 0.403 1.583 -5.838
8 HB2 PHE 12 HB2 PHE 12 1.644 3.913 -7.274
9 HB3 PHE 12 HB1 PHE 12 0.713 2.715 -8.169
10 HD1 PHE 12 HD1 PHE 12 0.396 4.699 -5.014
11 HD2 PHE 12 HD2 PHE 12 -1.489 3.193 -8.512
12 HE1 PHE 12 HE1 PHE 12 -1.703 5.796 -4.352
13 HE2 PHE 12 HE2 PHE 12 -3.589 4.287 -7.855
14 HZ PHE 12 HZ PHE 12 -3.698 5.586 -5.772
15 H ARG 13 HN ARG 13 0.659 0.032 -7.531
16 HA ARG 13 HA ARG 13 3.147 -0.598 -8.539
17 HB2 ARG 13 HB2 ARG 13 3.938 -2.457 -7.203
18 HB3 ARG 13 HB1 ARG 13 3.760 -1.061 -6.166
19 HG2 ARG 13 HG2 ARG 13 1.495 -3.020 -6.274
20 HG3 ARG 13 HG1 ARG 13 2.978 -3.514 -5.477
21 HD2 ARG 13 HD2 ARG 13 2.818 -1.599 -3.924
22 HD3 ARG 13 HD1 ARG 13 1.365 -1.038 -4.716
23 HE ARG 13 HE ARG 13 1.140 -3.736 -3.741
24 HH11 ARG 13 HH11 ARG 13 0.815 -0.341 -2.877
25 HH12 ARG 13 HH12 ARG 13 -0.286 -0.652 -1.585
26 HH21 ARG 13 HH21 ARG 13 -0.333 -4.137 -2.029
27 HH22 ARG 13 HH22 ARG 13 -0.947 -2.811 -1.104
28 H SER 14 HN SER 14 3.161 -3.142 -9.214
29 HA SER 14 HA SER 14 0.497 -3.514 -10.349
30 HB2 SER 14 HB2 SER 14 2.536 -3.308 -11.855
31 HB3 SER 14 HB1 SER 14 3.082 -4.850 -11.201
32 HG SER 14 HG SER 14 1.781 -5.799 -12.518
33 HA PRO 15 HA PRO 15 -0.559 -4.960 -11.306
34 HB2 PRO 15 HB2 PRO 15 -2.733 -6.490 -11.028
35 HB3 PRO 15 HB1 PRO 15 -1.226 -7.137 -11.693
36 HG2 PRO 15 HG2 PRO 15 -2.416 -7.494 -8.987
37 HG3 PRO 15 HG1 PRO 15 -1.468 -8.632 -9.957
38 HD2 PRO 15 HD2 PRO 15 -0.503 -7.049 -7.845
39 HD3 PRO 15 HD1 PRO 15 0.482 -7.913 -9.038
40 H CYS 16 HN CYS 16 -1.233 -4.898 -7.962
41 HA CYS 16 HA CYS 16 -3.271 -2.815 -8.386
42 HB2 CYS 16 HB2 CYS 16 -3.846 -4.730 -6.128
43 HB3 CYS 16 HB1 CYS 16 -4.933 -3.788 -7.122
44 HA PRO 17 HA PRO 17 -4.389 -1.457 -7.314
45 HB2 PRO 17 HB2 PRO 17 -4.518 1.006 -6.336
46 HB3 PRO 17 HB1 PRO 17 -4.806 -0.373 -5.264
47 HG2 PRO 17 HG2 PRO 17 -2.323 1.255 -5.618
48 HG3 PRO 17 HG1 PRO 17 -3.101 0.767 -4.114
49 HD2 PRO 17 HD2 PRO 17 -0.968 -0.546 -5.271
50 HD3 PRO 17 HD1 PRO 17 -2.132 -1.324 -4.182
51 HA PRO 18 HA PRO 18 -5.607 0.369 -7.795
52 HB2 PRO 18 HB2 PRO 18 -6.606 2.326 -9.240
53 HB3 PRO 18 HB1 PRO 18 -5.418 2.689 -7.979
54 HG2 PRO 18 HG2 PRO 18 -5.093 2.691 -10.924
55 HG3 PRO 18 HG1 PRO 18 -4.220 3.626 -9.710
56 HD2 PRO 18 HD2 PRO 18 -3.423 1.134 -10.957
57 HD3 PRO 18 HD1 PRO 18 -2.519 2.098 -9.774
58 H PHE 19 HN PHE 19 -4.317 -0.658 -10.705
59 HA PHE 19 HA PHE 19 -6.900 -1.055 -12.002
60 HB2 PHE 19 HB2 PHE 19 -4.136 -1.733 -13.034
61 HB3 PHE 19 HB1 PHE 19 -5.634 -1.770 -13.956
62 HD1 PHE 19 HD1 PHE 19 -2.783 0.105 -13.288
63 HD2 PHE 19 HD2 PHE 19 -6.971 0.537 -13.890
64 HE1 PHE 19 HE1 PHE 19 -2.444 2.457 -13.905
65 HE2 PHE 19 HE2 PHE 19 -6.639 2.890 -14.514
66 HZ PHE 19 HZ PHE 19 -4.372 3.854 -14.521
67 H CYS 20 HN CYS 20 -7.679 -2.536 -10.468
68 HA CYS 20 HA CYS 20 -6.388 -5.170 -10.616
69 HB2 CYS 20 HB2 CYS 20 -6.465 -3.767 -8.386
70 HB3 CYS 20 HB1 CYS 20 -8.103 -4.406 -8.295
71 HN1 NH2 21 H1 CYS 20 -7.624 -5.968 -12.260
72 HN2 NH2 21 H2 CYS 20 -9.328 -6.217 -12.155
Start of MODEL 2
1 H1 GLY 11 HT1 GLY 11 3.019 3.449 -2.162
2 H2 GLY 11 HT2 GLY 11 2.766 3.572 -0.493
3 H3 GLY 11 HT3 GLY 11 1.509 3.915 -1.567
4 HA2 GLY 11 HA1 GLY 11 2.772 1.258 -1.213
5 HA3 GLY 11 HA2 GLY 11 1.226 1.746 -0.530
6 H PHE 12 HN PHE 12 2.922 1.579 -3.645
7 HA PHE 12 HA PHE 12 0.415 0.649 -4.855
8 HB2 PHE 12 HB2 PHE 12 2.243 2.833 -5.751
9 HB3 PHE 12 HB1 PHE 12 1.485 1.836 -6.985
10 HD1 PHE 12 HD1 PHE 12 0.385 3.471 -3.792
11 HD2 PHE 12 HD2 PHE 12 -0.358 2.800 -7.932
12 HE1 PHE 12 HE1 PHE 12 -1.659 4.815 -3.640
13 HE2 PHE 12 HE2 PHE 12 -2.409 4.147 -7.779
14 HZ PHE 12 HZ PHE 12 -3.059 5.153 -5.628
15 H ARG 13 HN ARG 13 0.541 -1.029 -6.194
16 HA ARG 13 HA ARG 13 3.179 -1.994 -7.025
17 HB2 ARG 13 HB2 ARG 13 1.032 -3.755 -5.706
18 HB3 ARG 13 HB1 ARG 13 2.242 -4.395 -6.746
19 HG2 ARG 13 HG2 ARG 13 2.807 -4.803 -4.407
20 HG3 ARG 13 HG1 ARG 13 4.050 -3.858 -5.187
21 HD2 ARG 13 HD2 ARG 13 3.776 -2.971 -3.027
22 HD3 ARG 13 HD1 ARG 13 2.980 -1.816 -4.067
23 HE ARG 13 HE ARG 13 0.994 -3.557 -3.160
24 HH11 ARG 13 HH11 ARG 13 3.325 -1.420 -1.665
25 HH12 ARG 13 HH12 ARG 13 2.298 -1.053 -0.318
26 HH21 ARG 13 HH21 ARG 13 -0.358 -3.068 -1.425
27 HH22 ARG 13 HH22 ARG 13 0.186 -1.995 -0.181
28 H SER 14 HN SER 14 2.728 -3.879 -8.818
29 HA SER 14 HA SER 14 0.495 -2.855 -10.392
30 HB2 SER 14 HB2 SER 14 3.087 -4.088 -11.353
31 HB3 SER 14 HB1 SER 14 1.773 -3.530 -12.390
32 HG SER 14 HG SER 14 3.627 -2.064 -10.889
33 HA PRO 15 HA PRO 15 -0.866 -3.181 -11.580
34 HB2 PRO 15 HB2 PRO 15 -3.255 -4.089 -12.270
35 HB3 PRO 15 HB1 PRO 15 -1.817 -4.569 -13.178
36 HG2 PRO 15 HG2 PRO 15 -3.408 -6.115 -11.190
37 HG3 PRO 15 HG1 PRO 15 -2.561 -6.683 -12.639
38 HD2 PRO 15 HD2 PRO 15 -1.613 -6.790 -9.973
39 HD3 PRO 15 HD1 PRO 15 -0.679 -7.116 -11.445
40 H CYS 16 HN CYS 16 -1.574 -4.858 -8.770
41 HA CYS 16 HA CYS 16 -3.838 -3.087 -8.089
42 HB2 CYS 16 HB2 CYS 16 -3.134 -5.370 -6.224
43 HB3 CYS 16 HB1 CYS 16 -4.657 -4.593 -6.550
44 HA PRO 17 HA PRO 17 -4.460 -1.561 -7.467
45 HB2 PRO 17 HB2 PRO 17 -4.752 0.763 -6.252
46 HB3 PRO 17 HB1 PRO 17 -4.970 -0.728 -5.326
47 HG2 PRO 17 HG2 PRO 17 -2.693 1.173 -5.338
48 HG3 PRO 17 HG1 PRO 17 -3.334 0.247 -3.997
49 HD2 PRO 17 HD2 PRO 17 -1.104 -0.412 -5.634
50 HD3 PRO 17 HD1 PRO 17 -1.861 -1.443 -4.406
51 HA PRO 18 HA PRO 18 -5.772 0.278 -7.873
52 HB2 PRO 18 HB2 PRO 18 -6.770 2.290 -9.222
53 HB3 PRO 18 HB1 PRO 18 -5.628 2.628 -7.911
54 HG2 PRO 18 HG2 PRO 18 -5.191 2.708 -10.861
55 HG3 PRO 18 HG1 PRO 18 -4.467 3.717 -9.604
56 HD2 PRO 18 HD2 PRO 18 -3.361 1.361 -10.804
57 HD3 PRO 18 HD1 PRO 18 -2.676 2.318 -9.475
58 H PHE 19 HN PHE 19 -4.282 -0.932 -10.407
59 HA PHE 19 HA PHE 19 -6.533 -1.013 -12.291
60 HB2 PHE 19 HB2 PHE 19 -3.742 -2.122 -12.649
61 HB3 PHE 19 HB1 PHE 19 -4.957 -1.900 -13.898
62 HD1 PHE 19 HD1 PHE 19 -2.105 -0.548 -12.380
63 HD2 PHE 19 HD2 PHE 19 -5.775 0.574 -14.210
64 HE1 PHE 19 HE1 PHE 19 -1.185 1.684 -12.844
65 HE2 PHE 19 HE2 PHE 19 -4.863 2.808 -14.679
66 HZ PHE 19 HZ PHE 19 -2.565 3.365 -13.997
67 H CYS 20 HN CYS 20 -6.828 -2.421 -9.846
68 HA CYS 20 HA CYS 20 -6.277 -5.203 -10.514
69 HB2 CYS 20 HB2 CYS 20 -5.965 -3.988 -8.184
70 HB3 CYS 20 HB1 CYS 20 -7.663 -4.419 -7.998
71 HN1 NH2 21 H1 CYS 20 -7.798 -5.340 -12.219
72 HN2 NH2 21 H2 CYS 20 -9.488 -5.504 -11.904
Start of MODEL 3
1 H1 GLY 11 HT1 GLY 11 0.040 1.832 -0.873
2 H2 GLY 11 HT2 GLY 11 1.438 1.854 0.076
3 H3 GLY 11 HT3 GLY 11 1.042 0.477 -0.822
4 HA2 GLY 11 HA1 GLY 11 1.780 3.118 -1.940
5 HA3 GLY 11 HA2 GLY 11 2.818 1.699 -1.890
6 H PHE 12 HN PHE 12 2.504 2.712 -4.296
7 HA PHE 12 HA PHE 12 0.302 1.281 -5.578
8 HB2 PHE 12 HB2 PHE 12 1.918 3.676 -6.356
9 HB3 PHE 12 HB1 PHE 12 1.203 2.685 -7.623
10 HD1 PHE 12 HD1 PHE 12 0.170 4.155 -4.342
11 HD2 PHE 12 HD2 PHE 12 -0.838 3.362 -8.403
12 HE1 PHE 12 HE1 PHE 12 -2.000 5.258 -4.017
13 HE2 PHE 12 HE2 PHE 12 -3.010 4.469 -8.080
14 HZ PHE 12 HZ PHE 12 -3.593 5.416 -5.883
15 H ARG 13 HN ARG 13 0.657 -0.007 -7.405
16 HA ARG 13 HA ARG 13 3.149 -0.741 -8.319
17 HB2 ARG 13 HB2 ARG 13 3.543 -2.956 -7.327
18 HB3 ARG 13 HB1 ARG 13 3.595 -1.713 -6.100
19 HG2 ARG 13 HG2 ARG 13 1.022 -3.198 -6.496
20 HG3 ARG 13 HG1 ARG 13 2.371 -4.044 -5.765
21 HD2 ARG 13 HD2 ARG 13 2.516 -2.428 -3.965
22 HD3 ARG 13 HD1 ARG 13 1.288 -1.413 -4.684
23 HE ARG 13 HE ARG 13 -0.205 -3.476 -4.355
24 HH11 ARG 13 HH11 ARG 13 2.449 -2.579 -2.241
25 HH12 ARG 13 HH12 ARG 13 1.740 -3.292 -0.834
26 HH21 ARG 13 HH21 ARG 13 -1.157 -4.408 -2.481
27 HH22 ARG 13 HH22 ARG 13 -0.324 -4.323 -0.969
28 H SER 14 HN SER 14 2.919 -3.111 -9.497
29 HA SER 14 HA SER 14 0.259 -2.936 -10.698
30 HB2 SER 14 HB2 SER 14 2.332 -2.506 -12.121
31 HB3 SER 14 HB1 SER 14 2.693 -4.223 -11.947
32 HG SER 14 HG SER 14 1.286 -4.605 -13.439
33 HA PRO 15 HA PRO 15 -1.053 -3.832 -11.722
34 HB2 PRO 15 HB2 PRO 15 -3.335 -5.206 -11.816
35 HB3 PRO 15 HB1 PRO 15 -1.926 -5.704 -12.760
36 HG2 PRO 15 HG2 PRO 15 -3.034 -6.867 -10.255
37 HG3 PRO 15 HG1 PRO 15 -2.231 -7.674 -11.610
38 HD2 PRO 15 HD2 PRO 15 -1.056 -6.947 -9.156
39 HD3 PRO 15 HD1 PRO 15 -0.200 -7.475 -10.613
40 H CYS 16 HN CYS 16 -1.569 -4.935 -8.500
41 HA CYS 16 HA CYS 16 -3.711 -2.920 -8.147
42 HB2 CYS 16 HB2 CYS 16 -3.476 -5.077 -6.057
43 HB3 CYS 16 HB1 CYS 16 -4.865 -4.206 -6.652
44 HA PRO 17 HA PRO 17 -4.420 -1.468 -7.346
45 HB2 PRO 17 HB2 PRO 17 -4.565 0.927 -6.265
46 HB3 PRO 17 HB1 PRO 17 -4.767 -0.492 -5.225
47 HG2 PRO 17 HG2 PRO 17 -2.377 1.245 -5.613
48 HG3 PRO 17 HG1 PRO 17 -3.040 0.624 -4.104
49 HD2 PRO 17 HD2 PRO 17 -0.923 -0.510 -5.534
50 HD3 PRO 17 HD1 PRO 17 -1.898 -1.358 -4.319
51 HA PRO 18 HA PRO 18 -5.651 0.350 -7.800
52 HB2 PRO 18 HB2 PRO 18 -6.692 2.256 -9.294
53 HB3 PRO 18 HB1 PRO 18 -5.550 2.672 -8.008
54 HG2 PRO 18 HG2 PRO 18 -5.142 2.639 -10.951
55 HG3 PRO 18 HG1 PRO 18 -4.359 3.649 -9.730
56 HD2 PRO 18 HD2 PRO 18 -3.375 1.208 -10.906
57 HD3 PRO 18 HD1 PRO 18 -2.596 2.206 -9.662
58 H PHE 19 HN PHE 19 -4.277 -0.621 -10.690
59 HA PHE 19 HA PHE 19 -6.777 -1.063 -12.116
60 HB2 PHE 19 HB2 PHE 19 -3.956 -1.789 -12.935
61 HB3 PHE 19 HB1 PHE 19 -5.381 -1.827 -13.964
62 HD1 PHE 19 HD1 PHE 19 -2.573 0.025 -13.089
63 HD2 PHE 19 HD2 PHE 19 -6.686 0.490 -14.066
64 HE1 PHE 19 HE1 PHE 19 -2.150 2.359 -13.726
65 HE2 PHE 19 HE2 PHE 19 -6.272 2.828 -14.706
66 HZ PHE 19 HZ PHE 19 -4.000 3.766 -14.537
67 H CYS 20 HN CYS 20 -7.347 -2.455 -10.184
68 HA CYS 20 HA CYS 20 -6.251 -5.161 -10.480
69 HB2 CYS 20 HB2 CYS 20 -6.246 -3.815 -8.230
70 HB3 CYS 20 HB1 CYS 20 -7.931 -4.314 -8.155
71 HN1 NH2 21 H1 CYS 20 -7.499 -6.050 -12.024
72 HN2 NH2 21 H2 CYS 20 -9.221 -6.183 -11.955
Start of MODEL 4
1 H1 GLY 11 HT1 GLY 11 -0.521 1.757 -0.603
2 H2 GLY 11 HT2 GLY 11 0.550 1.141 0.557
3 H3 GLY 11 HT3 GLY 11 -0.203 0.100 -0.540
4 HA2 GLY 11 HA1 GLY 11 1.748 2.209 -1.235
5 HA3 GLY 11 HA2 GLY 11 2.091 0.486 -1.161
6 H PHE 12 HN PHE 12 2.758 1.182 -3.445
7 HA PHE 12 HA PHE 12 0.452 0.729 -5.186
8 HB2 PHE 12 HB2 PHE 12 2.643 2.735 -5.455
9 HB3 PHE 12 HB1 PHE 12 1.973 2.019 -6.919
10 HD1 PHE 12 HD1 PHE 12 0.878 3.654 -3.751
11 HD2 PHE 12 HD2 PHE 12 0.122 2.977 -7.882
12 HE1 PHE 12 HE1 PHE 12 -1.033 5.195 -3.648
13 HE2 PHE 12 HE2 PHE 12 -1.789 4.517 -7.787
14 HZ PHE 12 HZ PHE 12 -2.371 5.628 -5.667
15 H ARG 13 HN ARG 13 0.694 -0.673 -6.851
16 HA ARG 13 HA ARG 13 3.177 -1.825 -7.546
17 HB2 ARG 13 HB2 ARG 13 2.087 -2.893 -5.209
18 HB3 ARG 13 HB1 ARG 13 1.342 -3.919 -6.404
19 HG2 ARG 13 HG2 ARG 13 3.160 -5.126 -5.627
20 HG3 ARG 13 HG1 ARG 13 3.750 -4.539 -7.160
21 HD2 ARG 13 HD2 ARG 13 4.953 -2.684 -5.862
22 HD3 ARG 13 HD1 ARG 13 4.395 -3.469 -4.394
23 HE ARG 13 HE ARG 13 5.672 -5.482 -5.530
24 HH11 ARG 13 HH11 ARG 13 6.632 -2.116 -5.310
25 HH12 ARG 13 HH12 ARG 13 8.320 -2.466 -5.222
26 HH21 ARG 13 HH21 ARG 13 7.912 -5.954 -5.421
27 HH22 ARG 13 HH22 ARG 13 9.054 -4.665 -5.275
28 H SER 14 HN SER 14 2.723 -3.478 -9.451
29 HA SER 14 HA SER 14 0.109 -2.883 -10.557
30 HB2 SER 14 HB2 SER 14 2.173 -2.389 -11.924
31 HB3 SER 14 HB1 SER 14 2.502 -4.121 -11.954
32 HG SER 14 HG SER 14 0.676 -4.454 -13.138
33 HA PRO 15 HA PRO 15 -1.300 -3.432 -11.632
34 HB2 PRO 15 HB2 PRO 15 -3.633 -4.605 -12.077
35 HB3 PRO 15 HB1 PRO 15 -2.211 -5.033 -13.037
36 HG2 PRO 15 HG2 PRO 15 -3.554 -6.558 -10.871
37 HG3 PRO 15 HG1 PRO 15 -2.660 -7.154 -12.278
38 HD2 PRO 15 HD2 PRO 15 -1.693 -6.838 -9.603
39 HD3 PRO 15 HD1 PRO 15 -0.767 -7.330 -11.033
40 H CYS 16 HN CYS 16 -1.507 -4.702 -8.620
41 HA CYS 16 HA CYS 16 -3.868 -3.051 -7.948
42 HB2 CYS 16 HB2 CYS 16 -3.177 -5.308 -6.072
43 HB3 CYS 16 HB1 CYS 16 -4.707 -4.557 -6.437
44 HA PRO 17 HA PRO 17 -4.429 -1.478 -7.335
45 HB2 PRO 17 HB2 PRO 17 -4.537 0.929 -6.309
46 HB3 PRO 17 HB1 PRO 17 -4.713 -0.452 -5.215
47 HG2 PRO 17 HG2 PRO 17 -2.319 1.246 -5.748
48 HG3 PRO 17 HG1 PRO 17 -2.945 0.707 -4.189
49 HD2 PRO 17 HD2 PRO 17 -0.891 -0.535 -5.626
50 HD3 PRO 17 HD1 PRO 17 -1.844 -1.311 -4.349
51 HA PRO 18 HA PRO 18 -5.641 0.290 -7.816
52 HB2 PRO 18 HB2 PRO 18 -6.642 2.283 -9.215
53 HB3 PRO 18 HB1 PRO 18 -5.475 2.615 -7.928
54 HG2 PRO 18 HG2 PRO 18 -5.110 2.719 -10.870
55 HG3 PRO 18 HG1 PRO 18 -4.254 3.617 -9.613
56 HD2 PRO 18 HD2 PRO 18 -3.446 1.173 -10.940
57 HD3 PRO 18 HD1 PRO 18 -2.554 2.103 -9.717
58 H PHE 19 HN PHE 19 -4.325 -0.739 -10.672
59 HA PHE 19 HA PHE 19 -6.834 -0.967 -12.160
60 HB2 PHE 19 HB2 PHE 19 -4.016 -1.726 -12.961
61 HB3 PHE 19 HB1 PHE 19 -5.423 -1.728 -14.017
62 HD1 PHE 19 HD1 PHE 19 -2.609 0.073 -13.082
63 HD2 PHE 19 HD2 PHE 19 -6.715 0.610 -14.039
64 HE1 PHE 19 HE1 PHE 19 -2.165 2.422 -13.645
65 HE2 PHE 19 HE2 PHE 19 -6.279 2.961 -14.610
66 HZ PHE 19 HZ PHE 19 -4.001 3.869 -14.412
67 H CYS 20 HN CYS 20 -7.018 -2.436 -9.946
68 HA CYS 20 HA CYS 20 -6.153 -5.151 -10.566
69 HB2 CYS 20 HB2 CYS 20 -5.901 -3.964 -8.269
70 HB3 CYS 20 HB1 CYS 20 -7.609 -4.336 -8.072
71 HN1 NH2 21 H1 CYS 20 -7.630 -5.491 -12.277
72 HN2 NH2 21 H2 CYS 20 -9.303 -5.804 -11.974
Start of MODEL 5
1 H1 GLY 11 HT1 GLY 11 0.448 3.124 -1.219
2 H2 GLY 11 HT2 GLY 11 1.656 2.898 -0.060
3 H3 GLY 11 HT3 GLY 11 0.758 1.581 -0.616
4 HA2 GLY 11 HA1 GLY 11 2.615 3.198 -2.256
5 HA3 GLY 11 HA2 GLY 11 2.950 1.598 -1.607
6 H PHE 12 HN PHE 12 2.986 2.306 -4.367
7 HA PHE 12 HA PHE 12 0.604 0.920 -5.349
8 HB2 PHE 12 HB2 PHE 12 2.443 2.927 -6.593
9 HB3 PHE 12 HB1 PHE 12 1.588 1.790 -7.631
10 HD1 PHE 12 HD1 PHE 12 0.777 3.928 -4.671
11 HD2 PHE 12 HD2 PHE 12 -0.339 2.593 -8.554
12 HE1 PHE 12 HE1 PHE 12 -1.243 5.317 -4.566
13 HE2 PHE 12 HE2 PHE 12 -2.361 3.985 -8.452
14 HZ PHE 12 HZ PHE 12 -2.815 5.346 -6.453
15 H ARG 13 HN ARG 13 0.703 -0.910 -6.424
16 HA ARG 13 HA ARG 13 3.328 -2.018 -7.068
17 HB2 ARG 13 HB2 ARG 13 1.152 -3.552 -5.519
18 HB3 ARG 13 HB1 ARG 13 2.386 -4.337 -6.423
19 HG2 ARG 13 HG2 ARG 13 2.879 -4.332 -4.012
20 HG3 ARG 13 HG1 ARG 13 4.161 -3.601 -4.943
21 HD2 ARG 13 HD2 ARG 13 3.934 -2.294 -3.007
22 HD3 ARG 13 HD1 ARG 13 3.143 -1.329 -4.228
23 HE ARG 13 HE ARG 13 1.041 -2.598 -3.152
24 HH11 ARG 13 HH11 ARG 13 3.783 -1.125 -1.536
25 HH12 ARG 13 HH12 ARG 13 2.871 -0.729 -0.122
26 HH21 ARG 13 HH21 ARG 13 -0.148 -2.072 -1.304
27 HH22 ARG 13 HH22 ARG 13 0.641 -1.258 0.008
28 H SER 14 HN SER 14 2.854 -4.159 -8.545
29 HA SER 14 HA SER 14 0.774 -3.244 -10.365
30 HB2 SER 14 HB2 SER 14 3.274 -4.828 -10.967
31 HB3 SER 14 HB1 SER 14 2.083 -4.297 -12.154
32 HG SER 14 HG SER 14 2.577 -2.142 -11.583
33 HA PRO 15 HA PRO 15 -0.567 -3.602 -11.514
34 HB2 PRO 15 HB2 PRO 15 -3.022 -4.388 -12.160
35 HB3 PRO 15 HB1 PRO 15 -1.603 -5.064 -12.967
36 HG2 PRO 15 HG2 PRO 15 -3.375 -6.286 -10.918
37 HG3 PRO 15 HG1 PRO 15 -2.468 -7.060 -12.228
38 HD2 PRO 15 HD2 PRO 15 -1.717 -6.867 -9.489
39 HD3 PRO 15 HD1 PRO 15 -0.735 -7.491 -10.829
40 H CYS 16 HN CYS 16 -1.772 -4.982 -8.632
41 HA CYS 16 HA CYS 16 -3.699 -2.772 -8.232
42 HB2 CYS 16 HB2 CYS 16 -3.635 -4.977 -6.179
43 HB3 CYS 16 HB1 CYS 16 -4.965 -4.060 -6.832
44 HA PRO 17 HA PRO 17 -4.412 -1.346 -7.315
45 HB2 PRO 17 HB2 PRO 17 -4.413 1.069 -6.246
46 HB3 PRO 17 HB1 PRO 17 -4.716 -0.333 -5.207
47 HG2 PRO 17 HG2 PRO 17 -2.211 1.235 -5.586
48 HG3 PRO 17 HG1 PRO 17 -2.930 0.689 -4.080
49 HD2 PRO 17 HD2 PRO 17 -0.879 -0.618 -5.422
50 HD3 PRO 17 HD1 PRO 17 -1.979 -1.401 -4.272
51 HA PRO 18 HA PRO 18 -5.566 0.482 -7.776
52 HB2 PRO 18 HB2 PRO 18 -6.577 2.355 -9.345
53 HB3 PRO 18 HB1 PRO 18 -5.437 2.795 -8.067
54 HG2 PRO 18 HG2 PRO 18 -5.019 2.673 -10.998
55 HG3 PRO 18 HG1 PRO 18 -4.208 3.684 -9.801
56 HD2 PRO 18 HD2 PRO 18 -3.298 1.186 -10.919
57 HD3 PRO 18 HD1 PRO 18 -2.480 2.202 -9.713
58 H PHE 19 HN PHE 19 -4.212 -0.694 -10.564
59 HA PHE 19 HA PHE 19 -6.729 -1.175 -11.956
60 HB2 PHE 19 HB2 PHE 19 -3.927 -1.955 -12.790
61 HB3 PHE 19 HB1 PHE 19 -5.374 -2.000 -13.791
62 HD1 PHE 19 HD1 PHE 19 -2.517 -0.165 -13.000
63 HD2 PHE 19 HD2 PHE 19 -6.624 0.322 -13.984
64 HE1 PHE 19 HE1 PHE 19 -2.063 2.138 -13.729
65 HE2 PHE 19 HE2 PHE 19 -6.181 2.628 -14.714
66 HZ PHE 19 HZ PHE 19 -3.897 3.540 -14.587
67 H CYS 20 HN CYS 20 -7.739 -2.671 -10.674
68 HA CYS 20 HA CYS 20 -6.380 -5.265 -10.548
69 HB2 CYS 20 HB2 CYS 20 -6.552 -3.797 -8.354
70 HB3 CYS 20 HB1 CYS 20 -8.182 -4.461 -8.316
71 HN1 NH2 21 H1 CYS 20 -7.540 -6.131 -12.188
72 HN2 NH2 21 H2 CYS 20 -9.250 -6.375 -12.145
Start of MODEL 6
1 H1 GLY 11 HT1 GLY 11 0.131 3.298 -1.531
2 H2 GLY 11 HT2 GLY 11 1.051 2.736 -0.229
3 H3 GLY 11 HT3 GLY 11 -0.053 1.710 -0.986
4 HA2 GLY 11 HA1 GLY 11 2.376 2.846 -2.237
5 HA3 GLY 11 HA2 GLY 11 2.211 1.200 -1.641
6 H PHE 12 HN PHE 12 2.199 2.981 -4.351
7 HA PHE 12 HA PHE 12 0.134 1.400 -5.678
8 HB2 PHE 12 HB2 PHE 12 1.501 3.980 -6.345
9 HB3 PHE 12 HB1 PHE 12 0.783 3.021 -7.636
10 HD1 PHE 12 HD1 PHE 12 -0.110 4.253 -4.228
11 HD2 PHE 12 HD2 PHE 12 -1.377 3.501 -8.217
12 HE1 PHE 12 HE1 PHE 12 -2.332 5.155 -3.687
13 HE2 PHE 12 HE2 PHE 12 -3.602 4.402 -7.683
14 HZ PHE 12 HZ PHE 12 -4.081 5.228 -5.415
15 H ARG 13 HN ARG 13 0.552 0.081 -7.391
16 HA ARG 13 HA ARG 13 3.032 -0.260 -8.554
17 HB2 ARG 13 HB2 ARG 13 3.931 -2.290 -7.586
18 HB3 ARG 13 HB1 ARG 13 3.756 -1.100 -6.318
19 HG2 ARG 13 HG2 ARG 13 1.536 -3.082 -6.655
20 HG3 ARG 13 HG1 ARG 13 3.078 -3.678 -6.064
21 HD2 ARG 13 HD2 ARG 13 2.996 -2.016 -4.205
22 HD3 ARG 13 HD1 ARG 13 1.422 -1.477 -4.758
23 HE ARG 13 HE ARG 13 1.689 -4.307 -4.120
24 HH11 ARG 13 HH11 ARG 13 0.584 -1.129 -3.105
25 HH12 ARG 13 HH12 ARG 13 -0.408 -1.752 -1.838
26 HH21 ARG 13 HH21 ARG 13 0.359 -5.118 -2.452
27 HH22 ARG 13 HH22 ARG 13 -0.536 -4.018 -1.463
28 H SER 14 HN SER 14 3.066 -2.695 -9.654
29 HA SER 14 HA SER 14 0.390 -2.801 -10.791
30 HB2 SER 14 HB2 SER 14 2.983 -3.932 -11.857
31 HB3 SER 14 HB1 SER 14 1.446 -3.855 -12.717
32 HG SER 14 HG SER 14 3.266 -1.831 -12.105
33 HA PRO 15 HA PRO 15 -0.855 -3.799 -11.749
34 HB2 PRO 15 HB2 PRO 15 -3.037 -5.329 -11.838
35 HB3 PRO 15 HB1 PRO 15 -1.570 -5.771 -12.720
36 HG2 PRO 15 HG2 PRO 15 -2.693 -6.923 -10.224
37 HG3 PRO 15 HG1 PRO 15 -1.734 -7.704 -11.490
38 HD2 PRO 15 HD2 PRO 15 -0.802 -6.714 -8.993
39 HD3 PRO 15 HD1 PRO 15 0.184 -7.325 -10.334
40 H CYS 16 HN CYS 16 -1.402 -4.830 -8.519
41 HA CYS 16 HA CYS 16 -3.646 -2.915 -8.252
42 HB2 CYS 16 HB2 CYS 16 -3.440 -5.100 -6.188
43 HB3 CYS 16 HB1 CYS 16 -4.832 -4.294 -6.862
44 HA PRO 17 HA PRO 17 -4.418 -1.490 -7.411
45 HB2 PRO 17 HB2 PRO 17 -4.677 0.848 -6.218
46 HB3 PRO 17 HB1 PRO 17 -4.902 -0.631 -5.275
47 HG2 PRO 17 HG2 PRO 17 -2.562 1.207 -5.389
48 HG3 PRO 17 HG1 PRO 17 -3.262 0.404 -3.986
49 HD2 PRO 17 HD2 PRO 17 -1.032 -0.475 -5.464
50 HD3 PRO 17 HD1 PRO 17 -1.960 -1.452 -4.309
51 HA PRO 18 HA PRO 18 -5.726 0.275 -7.830
52 HB2 PRO 18 HB2 PRO 18 -6.792 2.237 -9.198
53 HB3 PRO 18 HB1 PRO 18 -5.652 2.624 -7.900
54 HG2 PRO 18 HG2 PRO 18 -5.239 2.677 -10.853
55 HG3 PRO 18 HG1 PRO 18 -4.535 3.723 -9.611
56 HD2 PRO 18 HD2 PRO 18 -3.372 1.383 -10.795
57 HD3 PRO 18 HD1 PRO 18 -2.701 2.375 -9.484
58 H PHE 19 HN PHE 19 -4.228 -0.879 -10.422
59 HA PHE 19 HA PHE 19 -6.593 -1.115 -12.133
60 HB2 PHE 19 HB2 PHE 19 -3.733 -1.915 -12.725
61 HB3 PHE 19 HB1 PHE 19 -5.071 -1.916 -13.869
62 HD1 PHE 19 HD1 PHE 19 -2.345 -0.082 -12.615
63 HD2 PHE 19 HD2 PHE 19 -6.263 0.377 -14.197
64 HE1 PHE 19 HE1 PHE 19 -1.833 2.254 -13.197
65 HE2 PHE 19 HE2 PHE 19 -5.759 2.710 -14.784
66 HZ PHE 19 HZ PHE 19 -3.540 3.650 -14.283
67 H CYS 20 HN CYS 20 -7.422 -2.506 -10.322
68 HA CYS 20 HA CYS 20 -6.501 -5.267 -10.738
69 HB2 CYS 20 HB2 CYS 20 -6.014 -3.993 -8.469
70 HB3 CYS 20 HB1 CYS 20 -7.678 -4.447 -8.127
71 HN1 NH2 21 H1 CYS 20 -8.163 -5.517 -12.279
72 HN2 NH2 21 H2 CYS 20 -9.821 -5.653 -11.814
Start of MODEL 7
1 H1 GLY 11 HT1 GLY 11 0.721 2.033 -1.197
2 H2 GLY 11 HT2 GLY 11 1.851 1.644 0.000
3 H3 GLY 11 HT3 GLY 11 0.897 0.434 -0.694
4 HA2 GLY 11 HA1 GLY 11 2.932 2.030 -2.129
5 HA3 GLY 11 HA2 GLY 11 3.137 0.374 -1.576
6 H PHE 12 HN PHE 12 3.362 1.220 -4.271
7 HA PHE 12 HA PHE 12 0.894 0.246 -5.479
8 HB2 PHE 12 HB2 PHE 12 3.154 1.916 -6.473
9 HB3 PHE 12 HB1 PHE 12 2.264 0.940 -7.640
10 HD1 PHE 12 HD1 PHE 12 1.483 3.179 -4.744
11 HD2 PHE 12 HD2 PHE 12 0.562 2.007 -8.735
12 HE1 PHE 12 HE1 PHE 12 -0.293 4.870 -4.828
13 HE2 PHE 12 HE2 PHE 12 -1.218 3.703 -8.822
14 HZ PHE 12 HZ PHE 12 -1.649 5.135 -6.866
15 H ARG 13 HN ARG 13 0.807 -1.459 -6.869
16 HA ARG 13 HA ARG 13 3.129 -3.112 -7.232
17 HB2 ARG 13 HB2 ARG 13 0.721 -4.169 -5.655
18 HB3 ARG 13 HB1 ARG 13 2.011 -5.172 -6.266
19 HG2 ARG 13 HG2 ARG 13 2.782 -5.020 -4.138
20 HG3 ARG 13 HG1 ARG 13 3.471 -3.498 -4.653
21 HD2 ARG 13 HD2 ARG 13 2.373 -3.145 -2.572
22 HD3 ARG 13 HD1 ARG 13 1.400 -2.349 -3.785
23 HE ARG 13 HE ARG 13 0.641 -5.058 -2.913
24 HH11 ARG 13 HH11 ARG 13 -0.016 -1.595 -2.870
25 HH12 ARG 13 HH12 ARG 13 -1.628 -1.794 -2.285
26 HH21 ARG 13 HH21 ARG 13 -1.483 -5.298 -2.140
27 HH22 ARG 13 HH22 ARG 13 -2.472 -3.904 -1.873
28 H SER 14 HN SER 14 2.299 -5.247 -8.495
29 HA SER 14 HA SER 14 0.296 -4.281 -10.382
30 HB2 SER 14 HB2 SER 14 2.534 -6.284 -10.791
31 HB3 SER 14 HB1 SER 14 1.389 -5.759 -12.024
32 HG SER 14 HG SER 14 2.364 -3.868 -12.167
33 HA PRO 15 HA PRO 15 -1.164 -4.632 -11.431
34 HB2 PRO 15 HB2 PRO 15 -3.714 -5.191 -11.888
35 HB3 PRO 15 HB1 PRO 15 -2.432 -6.175 -12.602
36 HG2 PRO 15 HG2 PRO 15 -4.235 -6.791 -10.319
37 HG3 PRO 15 HG1 PRO 15 -3.535 -7.881 -11.526
38 HD2 PRO 15 HD2 PRO 15 -2.579 -7.404 -8.894
39 HD3 PRO 15 HD1 PRO 15 -1.768 -8.328 -10.172
40 H CYS 16 HN CYS 16 -2.114 -5.308 -8.305
41 HA CYS 16 HA CYS 16 -3.894 -2.941 -8.156
42 HB2 CYS 16 HB2 CYS 16 -3.890 -4.845 -5.824
43 HB3 CYS 16 HB1 CYS 16 -5.184 -3.926 -6.550
44 HA PRO 17 HA PRO 17 -4.439 -1.364 -7.347
45 HB2 PRO 17 HB2 PRO 17 -4.304 1.060 -6.349
46 HB3 PRO 17 HB1 PRO 17 -4.515 -0.296 -5.227
47 HG2 PRO 17 HG2 PRO 17 -2.036 1.220 -5.917
48 HG3 PRO 17 HG1 PRO 17 -2.603 0.731 -4.323
49 HD2 PRO 17 HD2 PRO 17 -0.744 -0.661 -5.883
50 HD3 PRO 17 HD1 PRO 17 -1.659 -1.354 -4.529
51 HA PRO 18 HA PRO 18 -5.512 0.541 -7.785
52 HB2 PRO 18 HB2 PRO 18 -6.518 2.421 -9.367
53 HB3 PRO 18 HB1 PRO 18 -5.337 2.833 -8.118
54 HG2 PRO 18 HG2 PRO 18 -5.006 2.693 -11.047
55 HG3 PRO 18 HG1 PRO 18 -4.108 3.662 -9.880
56 HD2 PRO 18 HD2 PRO 18 -3.346 1.135 -11.042
57 HD3 PRO 18 HD1 PRO 18 -2.447 2.099 -9.854
58 H PHE 19 HN PHE 19 -4.426 -0.378 -10.905
59 HA PHE 19 HA PHE 19 -7.076 -1.022 -11.917
60 HB2 PHE 19 HB2 PHE 19 -4.398 -1.662 -13.174
61 HB3 PHE 19 HB1 PHE 19 -5.972 -1.688 -13.958
62 HD1 PHE 19 HD1 PHE 19 -3.047 0.144 -13.516
63 HD2 PHE 19 HD2 PHE 19 -7.260 0.635 -13.853
64 HE1 PHE 19 HE1 PHE 19 -2.713 2.478 -14.207
65 HE2 PHE 19 HE2 PHE 19 -6.935 2.973 -14.544
66 HZ PHE 19 HZ PHE 19 -4.659 3.897 -14.721
67 H CYS 20 HN CYS 20 -7.357 -2.422 -10.006
68 HA CYS 20 HA CYS 20 -5.811 -4.825 -9.844
69 HB2 CYS 20 HB2 CYS 20 -6.971 -3.573 -7.927
70 HB3 CYS 20 HB1 CYS 20 -8.450 -4.350 -8.483
71 HN1 NH2 21 H1 CYS 20 -6.051 -5.885 -11.784
72 HN2 NH2 21 H2 CYS 20 -7.531 -6.624 -12.285
Start of MODEL 8
1 H1 GLY 11 HT1 GLY 11 1.498 4.357 -1.866
2 H2 GLY 11 HT2 GLY 11 2.416 4.129 -0.467
3 H3 GLY 11 HT3 GLY 11 1.012 3.221 -0.711
4 HA2 GLY 11 HA1 GLY 11 3.477 3.085 -2.339
5 HA3 GLY 11 HA2 GLY 11 2.985 1.907 -1.134
6 H PHE 12 HN PHE 12 2.744 2.896 -4.355
7 HA PHE 12 HA PHE 12 0.492 1.109 -4.889
8 HB2 PHE 12 HB2 PHE 12 1.730 3.405 -6.341
9 HB3 PHE 12 HB1 PHE 12 0.961 2.144 -7.299
10 HD1 PHE 12 HD1 PHE 12 0.174 3.988 -4.131
11 HD2 PHE 12 HD2 PHE 12 -1.163 2.647 -7.949
12 HE1 PHE 12 HE1 PHE 12 -2.036 4.961 -3.699
13 HE2 PHE 12 HE2 PHE 12 -3.376 3.623 -7.516
14 HZ PHE 12 HZ PHE 12 -3.813 4.778 -5.387
15 H ARG 13 HN ARG 13 0.625 -0.521 -6.447
16 HA ARG 13 HA ARG 13 3.267 -1.269 -7.353
17 HB2 ARG 13 HB2 ARG 13 1.584 -3.166 -5.605
18 HB3 ARG 13 HB1 ARG 13 2.902 -3.699 -6.602
19 HG2 ARG 13 HG2 ARG 13 3.685 -3.653 -4.370
20 HG3 ARG 13 HG1 ARG 13 4.483 -2.314 -5.168
21 HD2 ARG 13 HD2 ARG 13 3.030 -0.729 -4.060
22 HD3 ARG 13 HD1 ARG 13 1.995 -2.022 -3.445
23 HE ARG 13 HE ARG 13 4.791 -2.009 -2.599
24 HH11 ARG 13 HH11 ARG 13 1.448 -1.251 -1.833
25 HH12 ARG 13 HH12 ARG 13 1.725 -1.205 -0.127
26 HH21 ARG 13 HH21 ARG 13 5.145 -1.957 -0.356
27 HH22 ARG 13 HH22 ARG 13 3.833 -1.605 0.718
28 H SER 14 HN SER 14 2.942 -3.366 -8.890
29 HA SER 14 HA SER 14 0.424 -2.851 -10.270
30 HB2 SER 14 HB2 SER 14 3.009 -3.972 -11.365
31 HB3 SER 14 HB1 SER 14 1.551 -3.636 -12.299
32 HG SER 14 HG SER 14 1.938 -1.406 -11.166
33 HA PRO 15 HA PRO 15 -0.774 -3.544 -11.598
34 HB2 PRO 15 HB2 PRO 15 -3.112 -4.733 -12.060
35 HB3 PRO 15 HB1 PRO 15 -1.643 -5.260 -12.889
36 HG2 PRO 15 HG2 PRO 15 -3.092 -6.531 -10.617
37 HG3 PRO 15 HG1 PRO 15 -2.217 -7.289 -11.957
38 HD2 PRO 15 HD2 PRO 15 -1.241 -6.863 -9.346
39 HD3 PRO 15 HD1 PRO 15 -0.283 -7.329 -10.763
40 H CYS 16 HN CYS 16 -1.622 -4.889 -8.586
41 HA CYS 16 HA CYS 16 -3.751 -2.873 -8.179
42 HB2 CYS 16 HB2 CYS 16 -3.503 -5.089 -6.153
43 HB3 CYS 16 HB1 CYS 16 -4.905 -4.266 -6.784
44 HA PRO 17 HA PRO 17 -4.402 -1.399 -7.356
45 HB2 PRO 17 HB2 PRO 17 -4.214 1.123 -6.253
46 HB3 PRO 17 HB1 PRO 17 -5.008 -0.245 -5.475
47 HG2 PRO 17 HG2 PRO 17 -2.598 1.091 -4.658
48 HG3 PRO 17 HG1 PRO 17 -3.412 -0.233 -3.873
49 HD2 PRO 17 HD2 PRO 17 -1.074 -0.270 -5.671
50 HD3 PRO 17 HD1 PRO 17 -1.585 -1.471 -4.470
51 HA PRO 18 HA PRO 18 -5.597 0.408 -7.779
52 HB2 PRO 18 HB2 PRO 18 -6.635 2.317 -9.266
53 HB3 PRO 18 HB1 PRO 18 -5.471 2.732 -8.001
54 HG2 PRO 18 HG2 PRO 18 -5.106 2.662 -10.947
55 HG3 PRO 18 HG1 PRO 18 -4.301 3.685 -9.751
56 HD2 PRO 18 HD2 PRO 18 -3.337 1.228 -10.905
57 HD3 PRO 18 HD1 PRO 18 -2.544 2.233 -9.675
58 H PHE 19 HN PHE 19 -4.233 -0.741 -10.551
59 HA PHE 19 HA PHE 19 -6.745 -1.120 -12.001
60 HB2 PHE 19 HB2 PHE 19 -3.929 -1.828 -12.852
61 HB3 PHE 19 HB1 PHE 19 -5.370 -1.899 -13.858
62 HD1 PHE 19 HD1 PHE 19 -2.577 0.018 -12.990
63 HD2 PHE 19 HD2 PHE 19 -6.680 0.387 -14.050
64 HE1 PHE 19 HE1 PHE 19 -2.184 2.343 -13.689
65 HE2 PHE 19 HE2 PHE 19 -6.292 2.711 -14.750
66 HZ PHE 19 HZ PHE 19 -4.042 3.692 -14.571
67 H CYS 20 HN CYS 20 -7.537 -2.581 -10.347
68 HA CYS 20 HA CYS 20 -6.359 -5.258 -10.646
69 HB2 CYS 20 HB2 CYS 20 -6.255 -3.955 -8.356
70 HB3 CYS 20 HB1 CYS 20 -7.915 -4.519 -8.212
71 HN1 NH2 21 H1 CYS 20 -7.755 -5.709 -12.358
72 HN2 NH2 21 H2 CYS 20 -9.446 -5.977 -12.125
Start of MODEL 9
1 H1 GLY 11 HT1 GLY 11 -0.609 1.998 -0.926
2 H2 GLY 11 HT2 GLY 11 0.734 1.817 0.083
3 H3 GLY 11 HT3 GLY 11 0.239 0.543 -0.911
4 HA2 GLY 11 HA1 GLY 11 1.235 3.150 -1.883
5 HA3 GLY 11 HA2 GLY 11 2.199 1.684 -1.787
6 H PHE 12 HN PHE 12 1.795 3.057 -4.164
7 HA PHE 12 HA PHE 12 -0.176 1.471 -5.625
8 HB2 PHE 12 HB2 PHE 12 1.212 4.071 -6.201
9 HB3 PHE 12 HB1 PHE 12 0.513 3.133 -7.519
10 HD1 PHE 12 HD1 PHE 12 -0.438 4.313 -4.111
11 HD2 PHE 12 HD2 PHE 12 -1.630 3.643 -8.134
12 HE1 PHE 12 HE1 PHE 12 -2.666 5.211 -3.591
13 HE2 PHE 12 HE2 PHE 12 -3.861 4.539 -7.626
14 HZ PHE 12 HZ PHE 12 -4.382 5.322 -5.350
15 H ARG 13 HN ARG 13 0.369 0.279 -7.453
16 HA ARG 13 HA ARG 13 2.967 -0.076 -8.344
17 HB2 ARG 13 HB2 ARG 13 3.638 -2.230 -7.367
18 HB3 ARG 13 HB1 ARG 13 3.488 -1.013 -6.121
19 HG2 ARG 13 HG2 ARG 13 1.151 -2.829 -6.619
20 HG3 ARG 13 HG1 ARG 13 2.575 -3.494 -5.848
21 HD2 ARG 13 HD2 ARG 13 2.422 -2.032 -3.988
22 HD3 ARG 13 HD1 ARG 13 1.248 -0.992 -4.750
23 HE ARG 13 HE ARG 13 -0.027 -3.398 -4.620
24 HH11 ARG 13 HH11 ARG 13 1.630 -1.409 -2.256
25 HH12 ARG 13 HH12 ARG 13 0.600 -1.885 -0.949
26 HH21 ARG 13 HH21 ARG 13 -1.388 -4.032 -2.894
27 HH22 ARG 13 HH22 ARG 13 -1.113 -3.385 -1.314
28 H SER 14 HN SER 14 3.103 -2.405 -9.588
29 HA SER 14 HA SER 14 0.480 -2.641 -10.811
30 HB2 SER 14 HB2 SER 14 1.977 -3.954 -12.547
31 HB3 SER 14 HB1 SER 14 1.947 -2.193 -12.534
32 HG SER 14 HG SER 14 3.902 -3.906 -11.395
33 HA PRO 15 HA PRO 15 -0.723 -3.693 -11.764
34 HB2 PRO 15 HB2 PRO 15 -2.855 -5.315 -11.786
35 HB3 PRO 15 HB1 PRO 15 -1.402 -5.668 -12.723
36 HG2 PRO 15 HG2 PRO 15 -2.397 -6.946 -10.245
37 HG3 PRO 15 HG1 PRO 15 -1.371 -7.614 -11.521
38 HD2 PRO 15 HD2 PRO 15 -0.550 -6.566 -8.987
39 HD3 PRO 15 HD1 PRO 15 0.486 -7.157 -10.298
40 H CYS 16 HN CYS 16 -1.313 -4.776 -8.514
41 HA CYS 16 HA CYS 16 -3.554 -2.854 -8.308
42 HB2 CYS 16 HB2 CYS 16 -3.460 -5.082 -6.283
43 HB3 CYS 16 HB1 CYS 16 -4.810 -4.220 -6.971
44 HA PRO 17 HA PRO 17 -4.427 -1.501 -7.437
45 HB2 PRO 17 HB2 PRO 17 -4.739 0.829 -6.237
46 HB3 PRO 17 HB1 PRO 17 -4.969 -0.658 -5.304
47 HG2 PRO 17 HG2 PRO 17 -2.622 1.174 -5.399
48 HG3 PRO 17 HG1 PRO 17 -3.375 0.436 -3.989
49 HD2 PRO 17 HD2 PRO 17 -1.112 -0.526 -5.310
50 HD3 PRO 17 HD1 PRO 17 -2.148 -1.489 -4.240
51 HA PRO 18 HA PRO 18 -5.712 0.386 -7.828
52 HB2 PRO 18 HB2 PRO 18 -6.720 2.273 -9.357
53 HB3 PRO 18 HB1 PRO 18 -5.637 2.713 -8.028
54 HG2 PRO 18 HG2 PRO 18 -5.101 2.649 -10.957
55 HG3 PRO 18 HG1 PRO 18 -4.423 3.718 -9.722
56 HD2 PRO 18 HD2 PRO 18 -3.264 1.321 -10.793
57 HD3 PRO 18 HD1 PRO 18 -2.620 2.343 -9.493
58 H PHE 19 HN PHE 19 -4.179 -0.780 -10.478
59 HA PHE 19 HA PHE 19 -6.569 -1.169 -12.112
60 HB2 PHE 19 HB2 PHE 19 -3.730 -2.039 -12.693
61 HB3 PHE 19 HB1 PHE 19 -5.075 -2.008 -13.827
62 HD1 PHE 19 HD1 PHE 19 -2.286 -0.251 -12.581
63 HD2 PHE 19 HD2 PHE 19 -6.162 0.313 -14.234
64 HE1 PHE 19 HE1 PHE 19 -1.678 2.047 -13.210
65 HE2 PHE 19 HE2 PHE 19 -5.561 2.609 -14.870
66 HZ PHE 19 HZ PHE 19 -3.318 3.479 -14.357
67 H CYS 20 HN CYS 20 -7.636 -2.582 -10.624
68 HA CYS 20 HA CYS 20 -6.608 -5.309 -10.794
69 HB2 CYS 20 HB2 CYS 20 -6.064 -3.950 -8.580
70 HB3 CYS 20 HB1 CYS 20 -7.707 -4.427 -8.174
71 HN1 NH2 21 H1 CYS 20 -8.373 -5.353 -12.351
72 HN2 NH2 21 H2 CYS 20 -9.997 -5.561 -11.802
Start of MODEL 10
1 H1 GLY 11 HT1 GLY 11 1.273 2.897 -1.556
2 H2 GLY 11 HT2 GLY 11 2.856 3.027 -0.963
3 H3 GLY 11 HT3 GLY 11 2.287 1.544 -1.550
4 HA2 GLY 11 HA1 GLY 11 2.674 3.995 -3.162
5 HA3 GLY 11 HA2 GLY 11 3.755 2.609 -3.140
6 H PHE 12 HN PHE 12 2.719 3.397 -5.498
7 HA PHE 12 HA PHE 12 0.474 1.602 -6.022
8 HB2 PHE 12 HB2 PHE 12 1.609 3.960 -7.493
9 HB3 PHE 12 HB1 PHE 12 0.601 2.788 -8.335
10 HD1 PHE 12 HD1 PHE 12 0.513 4.585 -5.055
11 HD2 PHE 12 HD2 PHE 12 -1.581 3.410 -8.566
12 HE1 PHE 12 HE1 PHE 12 -1.512 5.687 -4.211
13 HE2 PHE 12 HE2 PHE 12 -3.610 4.511 -7.726
14 HZ PHE 12 HZ PHE 12 -3.576 5.648 -5.544
15 H ARG 13 HN ARG 13 0.568 0.190 -7.874
16 HA ARG 13 HA ARG 13 2.947 -0.402 -9.131
17 HB2 ARG 13 HB2 ARG 13 3.714 -2.474 -8.055
18 HB3 ARG 13 HB1 ARG 13 3.825 -1.123 -6.952
19 HG2 ARG 13 HG2 ARG 13 1.396 -2.887 -6.789
20 HG3 ARG 13 HG1 ARG 13 2.933 -3.526 -6.240
21 HD2 ARG 13 HD2 ARG 13 3.157 -1.622 -4.639
22 HD3 ARG 13 HD1 ARG 13 1.604 -0.998 -5.153
23 HE ARG 13 HE ARG 13 1.621 -3.727 -4.142
24 HH11 ARG 13 HH11 ARG 13 1.022 -0.327 -3.426
25 HH12 ARG 13 HH12 ARG 13 0.013 -0.681 -2.067
26 HH21 ARG 13 HH21 ARG 13 0.276 -4.158 -2.332
27 HH22 ARG 13 HH22 ARG 13 -0.403 -2.836 -1.444
28 H SER 14 HN SER 14 2.795 -2.850 -10.104
29 HA SER 14 HA SER 14 0.028 -2.991 -10.965
30 HB2 SER 14 HB2 SER 14 1.113 -4.440 -12.814
31 HB3 SER 14 HB1 SER 14 1.403 -2.700 -12.836
32 HG SER 14 HG SER 14 3.150 -4.785 -12.418
33 HA PRO 15 HA PRO 15 -1.292 -4.056 -11.776
34 HB2 PRO 15 HB2 PRO 15 -3.464 -5.751 -11.328
35 HB3 PRO 15 HB1 PRO 15 -2.312 -5.877 -12.658
36 HG2 PRO 15 HG2 PRO 15 -2.658 -7.720 -10.527
37 HG3 PRO 15 HG1 PRO 15 -1.373 -7.730 -11.745
38 HD2 PRO 15 HD2 PRO 15 -1.334 -6.700 -8.953
39 HD3 PRO 15 HD1 PRO 15 -0.017 -7.401 -9.917
40 H CYS 16 HN CYS 16 -1.454 -4.745 -8.445
41 HA CYS 16 HA CYS 16 -3.675 -2.824 -8.139
42 HB2 CYS 16 HB2 CYS 16 -3.536 -5.019 -6.083
43 HB3 CYS 16 HB1 CYS 16 -4.899 -4.114 -6.697
44 HA PRO 17 HA PRO 17 -4.397 -1.391 -7.238
45 HB2 PRO 17 HB2 PRO 17 -4.414 1.041 -6.227
46 HB3 PRO 17 HB1 PRO 17 -4.656 -0.338 -5.143
47 HG2 PRO 17 HG2 PRO 17 -2.174 1.250 -5.650
48 HG3 PRO 17 HG1 PRO 17 -2.854 0.757 -4.100
49 HD2 PRO 17 HD2 PRO 17 -0.829 -0.584 -5.441
50 HD3 PRO 17 HD1 PRO 17 -1.902 -1.339 -4.245
51 HA PRO 18 HA PRO 18 -5.603 0.310 -7.774
52 HB2 PRO 18 HB2 PRO 18 -6.665 2.167 -9.309
53 HB3 PRO 18 HB1 PRO 18 -5.518 2.621 -8.041
54 HG2 PRO 18 HG2 PRO 18 -5.137 2.537 -10.985
55 HG3 PRO 18 HG1 PRO 18 -4.325 3.553 -9.788
56 HD2 PRO 18 HD2 PRO 18 -3.403 1.067 -10.937
57 HD3 PRO 18 HD1 PRO 18 -2.569 2.102 -9.760
58 H PHE 19 HN PHE 19 -4.299 -0.588 -10.799
59 HA PHE 19 HA PHE 19 -6.834 -1.038 -12.135
60 HB2 PHE 19 HB2 PHE 19 -4.048 -1.804 -13.029
61 HB3 PHE 19 HB1 PHE 19 -5.500 -1.819 -14.022
62 HD1 PHE 19 HD1 PHE 19 -2.660 0.025 -13.115
63 HD2 PHE 19 HD2 PHE 19 -6.755 0.489 -14.175
64 HE1 PHE 19 HE1 PHE 19 -2.225 2.360 -13.755
65 HE2 PHE 19 HE2 PHE 19 -6.327 2.825 -14.820
66 HZ PHE 19 HZ PHE 19 -4.059 3.762 -14.611
67 H CYS 20 HN CYS 20 -7.307 -2.441 -10.133
68 HA CYS 20 HA CYS 20 -6.272 -5.158 -10.478
69 HB2 CYS 20 HB2 CYS 20 -6.410 -3.778 -8.221
70 HB3 CYS 20 HB1 CYS 20 -8.060 -4.387 -8.216
71 HN1 NH2 21 H1 CYS 20 -7.503 -5.754 -12.260
72 HN2 NH2 21 H2 CYS 20 -9.211 -6.003 -12.180
Start of MODEL 11
1 H1 GLY 11 HT1 GLY 11 0.420 3.024 -1.517
2 H2 GLY 11 HT2 GLY 11 1.596 2.559 -0.394
3 H3 GLY 11 HT3 GLY 11 0.657 1.387 -1.169
4 HA2 GLY 11 HA1 GLY 11 2.613 3.178 -2.483
5 HA3 GLY 11 HA2 GLY 11 2.868 1.479 -2.123
6 H PHE 12 HN PHE 12 3.270 1.637 -4.553
7 HA PHE 12 HA PHE 12 0.779 0.958 -5.912
8 HB2 PHE 12 HB2 PHE 12 2.690 3.113 -6.709
9 HB3 PHE 12 HB1 PHE 12 1.923 2.165 -7.976
10 HD1 PHE 12 HD1 PHE 12 1.190 4.281 -5.017
11 HD2 PHE 12 HD2 PHE 12 -0.244 2.641 -8.669
12 HE1 PHE 12 HE1 PHE 12 -0.839 5.659 -4.835
13 HE2 PHE 12 HE2 PHE 12 -2.276 4.015 -8.492
14 HZ PHE 12 HZ PHE 12 -2.575 5.523 -6.572
15 H ARG 13 HN ARG 13 0.919 -0.876 -6.907
16 HA ARG 13 HA ARG 13 3.434 -1.804 -7.995
17 HB2 ARG 13 HB2 ARG 13 1.932 -3.398 -5.849
18 HB3 ARG 13 HB1 ARG 13 3.228 -4.035 -6.834
19 HG2 ARG 13 HG2 ARG 13 4.895 -2.797 -5.696
20 HG3 ARG 13 HG1 ARG 13 3.742 -1.621 -5.072
21 HD2 ARG 13 HD2 ARG 13 4.506 -3.007 -3.285
22 HD3 ARG 13 HD1 ARG 13 2.821 -3.382 -3.589
23 HE ARG 13 HE ARG 13 4.948 -5.095 -4.727
24 HH11 ARG 13 HH11 ARG 13 2.208 -4.715 -2.561
25 HH12 ARG 13 HH12 ARG 13 2.062 -6.402 -2.242
26 HH21 ARG 13 HH21 ARG 13 4.761 -7.333 -4.294
27 HH22 ARG 13 HH22 ARG 13 3.521 -7.905 -3.236
28 H SER 14 HN SER 14 2.912 -4.156 -9.093
29 HA SER 14 HA SER 14 0.414 -3.646 -10.501
30 HB2 SER 14 HB2 SER 14 2.676 -5.486 -11.302
31 HB3 SER 14 HB1 SER 14 1.330 -4.955 -12.309
32 HG SER 14 HG SER 14 3.374 -3.317 -11.209
33 HA PRO 15 HA PRO 15 -0.971 -4.355 -11.521
34 HB2 PRO 15 HB2 PRO 15 -3.418 -5.364 -11.807
35 HB3 PRO 15 HB1 PRO 15 -2.013 -6.161 -12.522
36 HG2 PRO 15 HG2 PRO 15 -3.614 -6.934 -10.148
37 HG3 PRO 15 HG1 PRO 15 -2.709 -7.957 -11.274
38 HD2 PRO 15 HD2 PRO 15 -1.873 -7.045 -8.699
39 HD3 PRO 15 HD1 PRO 15 -0.917 -7.960 -9.880
40 H CYS 16 HN CYS 16 -1.946 -5.060 -8.335
41 HA CYS 16 HA CYS 16 -3.807 -2.745 -8.288
42 HB2 CYS 16 HB2 CYS 16 -4.075 -4.786 -6.084
43 HB3 CYS 16 HB1 CYS 16 -5.280 -3.827 -6.905
44 HA PRO 17 HA PRO 17 -4.418 -1.134 -7.391
45 HB2 PRO 17 HB2 PRO 17 -4.057 1.334 -6.465
46 HB3 PRO 17 HB1 PRO 17 -4.572 0.054 -5.356
47 HG2 PRO 17 HG2 PRO 17 -1.849 1.187 -5.810
48 HG3 PRO 17 HG1 PRO 17 -2.656 0.875 -4.279
49 HD2 PRO 17 HD2 PRO 17 -0.826 -0.816 -5.462
50 HD3 PRO 17 HD1 PRO 17 -2.073 -1.352 -4.319
51 HA PRO 18 HA PRO 18 -5.220 1.128 -7.845
52 HB2 PRO 18 HB2 PRO 18 -5.995 2.853 -9.707
53 HB3 PRO 18 HB1 PRO 18 -4.746 3.295 -8.538
54 HG2 PRO 18 HG2 PRO 18 -4.483 2.580 -11.404
55 HG3 PRO 18 HG1 PRO 18 -3.505 3.687 -10.440
56 HD2 PRO 18 HD2 PRO 18 -2.893 0.988 -11.102
57 HD3 PRO 18 HD1 PRO 18 -2.007 2.040 -9.982
58 H PHE 19 HN PHE 19 -4.297 -0.566 -10.577
59 HA PHE 19 HA PHE 19 -7.014 -1.042 -11.527
60 HB2 PHE 19 HB2 PHE 19 -4.474 -2.396 -12.461
61 HB3 PHE 19 HB1 PHE 19 -6.002 -2.259 -13.323
62 HD1 PHE 19 HD1 PHE 19 -2.758 -0.995 -13.031
63 HD2 PHE 19 HD2 PHE 19 -6.754 0.218 -13.816
64 HE1 PHE 19 HE1 PHE 19 -1.917 1.022 -14.159
65 HE2 PHE 19 HE2 PHE 19 -5.923 2.238 -14.948
66 HZ PHE 19 HZ PHE 19 -3.502 2.641 -15.120
67 H CYS 20 HN CYS 20 -7.504 -3.507 -11.857
68 HA CYS 20 HA CYS 20 -6.167 -5.448 -10.369
69 HB2 CYS 20 HB2 CYS 20 -7.290 -3.815 -8.568
70 HB3 CYS 20 HB1 CYS 20 -8.681 -4.848 -8.883
71 HN1 NH2 21 H1 CYS 20 -6.646 -6.550 -12.263
72 HN2 NH2 21 H2 CYS 20 -8.220 -7.177 -12.605
Start of MODEL 12
1 H1 GLY 11 HT1 GLY 11 -0.278 1.593 -0.313
2 H2 GLY 11 HT2 GLY 11 0.717 0.991 0.912
3 H3 GLY 11 HT3 GLY 11 -0.145 -0.071 -0.080
4 HA2 GLY 11 HA1 GLY 11 2.045 1.711 -0.951
5 HA3 GLY 11 HA2 GLY 11 2.159 -0.028 -0.713
6 H PHE 12 HN PHE 12 2.538 1.647 -3.128
7 HA PHE 12 HA PHE 12 0.402 0.543 -4.781
8 HB2 PHE 12 HB2 PHE 12 2.041 3.019 -5.035
9 HB3 PHE 12 HB1 PHE 12 1.469 2.237 -6.508
10 HD1 PHE 12 HD1 PHE 12 0.268 3.498 -3.220
11 HD2 PHE 12 HD2 PHE 12 -0.665 2.651 -7.285
12 HE1 PHE 12 HE1 PHE 12 -1.952 4.508 -2.915
13 HE2 PHE 12 HE2 PHE 12 -2.888 3.658 -6.989
14 HZ PHE 12 HZ PHE 12 -3.534 4.586 -4.798
15 H ARG 13 HN ARG 13 0.855 -0.477 -6.712
16 HA ARG 13 HA ARG 13 3.381 -1.140 -7.579
17 HB2 ARG 13 HB2 ARG 13 3.627 -3.509 -6.878
18 HB3 ARG 13 HB1 ARG 13 3.712 -2.424 -5.510
19 HG2 ARG 13 HG2 ARG 13 1.078 -3.718 -6.153
20 HG3 ARG 13 HG1 ARG 13 2.351 -4.696 -5.456
21 HD2 ARG 13 HD2 ARG 13 2.427 -3.442 -3.455
22 HD3 ARG 13 HD1 ARG 13 1.531 -2.098 -4.114
23 HE ARG 13 HE ARG 13 -0.254 -4.144 -4.230
24 HH11 ARG 13 HH11 ARG 13 1.780 -2.890 -1.665
25 HH12 ARG 13 HH12 ARG 13 0.650 -3.276 -0.415
26 HH21 ARG 13 HH21 ARG 13 -1.737 -4.657 -2.583
27 HH22 ARG 13 HH22 ARG 13 -1.358 -4.290 -0.936
28 H SER 14 HN SER 14 3.152 -3.291 -9.113
29 HA SER 14 HA SER 14 0.571 -2.884 -10.392
30 HB2 SER 14 HB2 SER 14 3.103 -4.142 -11.475
31 HB3 SER 14 HB1 SER 14 1.632 -3.832 -12.393
32 HG SER 14 HG SER 14 2.677 -1.652 -11.041
33 HA PRO 15 HA PRO 15 -0.696 -3.632 -11.601
34 HB2 PRO 15 HB2 PRO 15 -3.052 -4.848 -11.952
35 HB3 PRO 15 HB1 PRO 15 -1.601 -5.363 -12.818
36 HG2 PRO 15 HG2 PRO 15 -3.005 -6.663 -10.556
37 HG3 PRO 15 HG1 PRO 15 -2.017 -7.385 -11.833
38 HD2 PRO 15 HD2 PRO 15 -1.224 -6.762 -9.163
39 HD3 PRO 15 HD1 PRO 15 -0.204 -7.380 -10.475
40 H CYS 16 HN CYS 16 -1.671 -4.906 -8.547
41 HA CYS 16 HA CYS 16 -3.657 -2.730 -8.245
42 HB2 CYS 16 HB2 CYS 16 -3.679 -4.930 -6.195
43 HB3 CYS 16 HB1 CYS 16 -4.981 -3.994 -6.880
44 HA PRO 17 HA PRO 17 -4.397 -1.325 -7.293
45 HB2 PRO 17 HB2 PRO 17 -3.919 1.232 -6.174
46 HB3 PRO 17 HB1 PRO 17 -5.009 -0.002 -5.542
47 HG2 PRO 17 HG2 PRO 17 -2.673 0.902 -4.291
48 HG3 PRO 17 HG1 PRO 17 -3.561 -0.544 -3.884
49 HD2 PRO 17 HD2 PRO 17 -1.120 -0.238 -5.571
50 HD3 PRO 17 HD1 PRO 17 -1.551 -1.544 -4.445
51 HA PRO 18 HA PRO 18 -5.536 0.513 -7.766
52 HB2 PRO 18 HB2 PRO 18 -6.530 2.369 -9.355
53 HB3 PRO 18 HB1 PRO 18 -5.363 2.817 -8.103
54 HG2 PRO 18 HG2 PRO 18 -4.984 2.590 -11.041
55 HG3 PRO 18 HG1 PRO 18 -4.170 3.662 -9.896
56 HD2 PRO 18 HD2 PRO 18 -3.228 1.143 -10.914
57 HD3 PRO 18 HD1 PRO 18 -2.442 2.187 -9.712
58 H PHE 19 HN PHE 19 -4.214 -0.692 -10.605
59 HA PHE 19 HA PHE 19 -6.777 -1.161 -11.934
60 HB2 PHE 19 HB2 PHE 19 -3.995 -1.924 -12.853
61 HB3 PHE 19 HB1 PHE 19 -5.470 -2.005 -13.809
62 HD1 PHE 19 HD1 PHE 19 -2.613 -0.126 -13.153
63 HD2 PHE 19 HD2 PHE 19 -6.767 0.310 -13.967
64 HE1 PHE 19 HE1 PHE 19 -2.215 2.173 -13.931
65 HE2 PHE 19 HE2 PHE 19 -6.377 2.610 -14.747
66 HZ PHE 19 HZ PHE 19 -4.098 3.543 -14.730
67 H CYS 20 HN CYS 20 -7.784 -2.695 -10.703
68 HA CYS 20 HA CYS 20 -6.391 -5.271 -10.554
69 HB2 CYS 20 HB2 CYS 20 -6.624 -3.786 -8.368
70 HB3 CYS 20 HB1 CYS 20 -8.233 -4.501 -8.343
71 HN1 NH2 21 H1 CYS 20 -7.529 -6.166 -12.217
72 HN2 NH2 21 H2 CYS 20 -9.236 -6.429 -12.189
Start of MODEL 13
1 H1 GLY 11 HT1 GLY 11 0.287 2.893 -1.479
2 H2 GLY 11 HT2 GLY 11 1.364 2.576 -0.214
3 H3 GLY 11 HT3 GLY 11 0.420 1.331 -0.850
4 HA2 GLY 11 HA1 GLY 11 2.550 2.793 -2.303
5 HA3 GLY 11 HA2 GLY 11 2.698 1.178 -1.625
6 H PHE 12 HN PHE 12 2.990 2.011 -4.397
7 HA PHE 12 HA PHE 12 0.645 0.796 -5.642
8 HB2 PHE 12 HB2 PHE 12 2.788 2.628 -6.633
9 HB3 PHE 12 HB1 PHE 12 1.967 1.578 -7.786
10 HD1 PHE 12 HD1 PHE 12 1.127 3.885 -4.977
11 HD2 PHE 12 HD2 PHE 12 0.103 2.400 -8.828
12 HE1 PHE 12 HE1 PHE 12 -0.781 5.434 -5.063
13 HE2 PHE 12 HE2 PHE 12 -1.806 3.947 -8.922
14 HZ PHE 12 HZ PHE 12 -2.250 5.463 -7.035
15 H ARG 13 HN ARG 13 0.726 -0.998 -6.902
16 HA ARG 13 HA ARG 13 3.221 -2.378 -7.260
17 HB2 ARG 13 HB2 ARG 13 1.007 -3.632 -5.555
18 HB3 ARG 13 HB1 ARG 13 2.312 -4.540 -6.248
19 HG2 ARG 13 HG2 ARG 13 2.948 -4.311 -4.035
20 HG3 ARG 13 HG1 ARG 13 3.896 -3.049 -4.790
21 HD2 ARG 13 HD2 ARG 13 2.310 -1.363 -3.997
22 HD3 ARG 13 HD1 ARG 13 1.248 -2.616 -3.353
23 HE ARG 13 HE ARG 13 3.958 -2.534 -2.301
24 HH11 ARG 13 HH11 ARG 13 0.583 -1.625 -1.883
25 HH12 ARG 13 HH12 ARG 13 0.749 -1.329 -0.188
26 HH21 ARG 13 HH21 ARG 13 4.168 -2.138 -0.061
27 HH22 ARG 13 HH22 ARG 13 2.793 -1.623 0.853
28 H SER 14 HN SER 14 2.616 -4.677 -8.408
29 HA SER 14 HA SER 14 0.529 -3.966 -10.326
30 HB2 SER 14 HB2 SER 14 2.874 -5.845 -10.685
31 HB3 SER 14 HB1 SER 14 1.728 -5.353 -11.934
32 HG SER 14 HG SER 14 3.247 -3.460 -10.492
33 HA PRO 15 HA PRO 15 -0.890 -4.450 -11.350
34 HB2 PRO 15 HB2 PRO 15 -3.426 -5.312 -11.764
35 HB3 PRO 15 HB1 PRO 15 -2.029 -5.987 -12.606
36 HG2 PRO 15 HG2 PRO 15 -3.722 -7.224 -10.576
37 HG3 PRO 15 HG1 PRO 15 -2.513 -7.975 -11.624
38 HD2 PRO 15 HD2 PRO 15 -2.271 -7.138 -8.834
39 HD3 PRO 15 HD1 PRO 15 -1.174 -8.145 -9.796
40 H CYS 16 HN CYS 16 -1.786 -5.100 -8.233
41 HA CYS 16 HA CYS 16 -3.720 -2.857 -8.183
42 HB2 CYS 16 HB2 CYS 16 -3.883 -4.867 -5.945
43 HB3 CYS 16 HB1 CYS 16 -5.127 -3.924 -6.730
44 HA PRO 17 HA PRO 17 -4.416 -1.343 -7.293
45 HB2 PRO 17 HB2 PRO 17 -4.259 1.138 -6.429
46 HB3 PRO 17 HB1 PRO 17 -4.529 -0.155 -5.248
47 HG2 PRO 17 HG2 PRO 17 -1.984 1.209 -6.002
48 HG3 PRO 17 HG1 PRO 17 -2.622 0.950 -4.382
49 HD2 PRO 17 HD2 PRO 17 -0.766 -0.693 -5.582
50 HD3 PRO 17 HD1 PRO 17 -1.903 -1.252 -4.340
51 HA PRO 18 HA PRO 18 -5.461 0.537 -7.795
52 HB2 PRO 18 HB2 PRO 18 -6.362 2.551 -9.244
53 HB3 PRO 18 HB1 PRO 18 -5.092 2.831 -8.045
54 HG2 PRO 18 HG2 PRO 18 -4.914 2.752 -10.989
55 HG3 PRO 18 HG1 PRO 18 -3.899 3.631 -9.852
56 HD2 PRO 18 HD2 PRO 18 -3.378 1.057 -11.079
57 HD3 PRO 18 HD1 PRO 18 -2.343 1.954 -9.947
58 H PHE 19 HN PHE 19 -4.403 -0.674 -10.703
59 HA PHE 19 HA PHE 19 -7.115 -1.026 -11.771
60 HB2 PHE 19 HB2 PHE 19 -4.465 -1.503 -13.153
61 HB3 PHE 19 HB1 PHE 19 -6.052 -1.666 -13.890
62 HD1 PHE 19 HD1 PHE 19 -3.312 0.357 -13.778
63 HD2 PHE 19 HD2 PHE 19 -7.544 0.599 -13.417
64 HE1 PHE 19 HE1 PHE 19 -3.228 2.724 -14.427
65 HE2 PHE 19 HE2 PHE 19 -7.466 2.971 -14.065
66 HZ PHE 19 HZ PHE 19 -5.304 4.036 -14.572
67 H CYS 20 HN CYS 20 -7.470 -2.550 -10.051
68 HA CYS 20 HA CYS 20 -5.981 -5.022 -10.123
69 HB2 CYS 20 HB2 CYS 20 -7.013 -3.742 -8.065
70 HB3 CYS 20 HB1 CYS 20 -8.466 -4.631 -8.507
71 HN1 NH2 21 H1 CYS 20 -6.469 -5.937 -12.087
72 HN2 NH2 21 H2 CYS 20 -8.045 -6.488 -12.524
Start of MODEL 14
1 H1 GLY 11 HT1 GLY 11 0.461 3.275 -1.823
2 H2 GLY 11 HT2 GLY 11 1.792 3.378 -0.789
3 H3 GLY 11 HT3 GLY 11 1.147 1.869 -1.187
4 HA2 GLY 11 HA1 GLY 11 2.516 3.731 -3.032
5 HA3 GLY 11 HA2 GLY 11 3.158 2.212 -2.420
6 H PHE 12 HN PHE 12 2.658 3.077 -5.168
7 HA PHE 12 HA PHE 12 0.466 1.325 -5.968
8 HB2 PHE 12 HB2 PHE 12 1.895 3.579 -7.356
9 HB3 PHE 12 HB1 PHE 12 0.906 2.433 -8.255
10 HD1 PHE 12 HD1 PHE 12 0.701 4.589 -5.215
11 HD2 PHE 12 HD2 PHE 12 -1.294 2.930 -8.574
12 HE1 PHE 12 HE1 PHE 12 -1.337 5.822 -4.607
13 HE2 PHE 12 HE2 PHE 12 -3.337 4.155 -7.971
14 HZ PHE 12 HZ PHE 12 -3.360 5.600 -5.985
15 H ARG 13 HN ARG 13 0.739 -0.170 -7.674
16 HA ARG 13 HA ARG 13 3.200 -0.895 -8.670
17 HB2 ARG 13 HB2 ARG 13 3.832 -2.893 -7.436
18 HB3 ARG 13 HB1 ARG 13 3.808 -1.522 -6.354
19 HG2 ARG 13 HG2 ARG 13 1.373 -3.274 -6.456
20 HG3 ARG 13 HG1 ARG 13 2.831 -3.915 -5.718
21 HD2 ARG 13 HD2 ARG 13 2.877 -1.939 -4.161
22 HD3 ARG 13 HD1 ARG 13 1.357 -1.395 -4.840
23 HE ARG 13 HE ARG 13 1.178 -4.077 -3.881
24 HH11 ARG 13 HH11 ARG 13 1.092 -0.710 -2.883
25 HH12 ARG 13 HH12 ARG 13 0.221 -1.033 -1.426
26 HH21 ARG 13 HH21 ARG 13 0.015 -4.503 -1.969
27 HH22 ARG 13 HH22 ARG 13 -0.394 -3.205 -0.900
28 H SER 14 HN SER 14 3.044 -3.423 -9.474
29 HA SER 14 HA SER 14 0.376 -3.525 -10.629
30 HB2 SER 14 HB2 SER 14 2.878 -5.010 -11.450
31 HB3 SER 14 HB1 SER 14 1.370 -4.893 -12.358
32 HG SER 14 HG SER 14 2.044 -2.433 -11.897
33 HA PRO 15 HA PRO 15 -0.871 -4.677 -11.503
34 HB2 PRO 15 HB2 PRO 15 -3.128 -6.093 -11.363
35 HB3 PRO 15 HB1 PRO 15 -1.672 -6.748 -12.122
36 HG2 PRO 15 HG2 PRO 15 -2.901 -7.407 -9.506
37 HG3 PRO 15 HG1 PRO 15 -1.909 -8.415 -10.569
38 HD2 PRO 15 HD2 PRO 15 -1.066 -6.996 -8.244
39 HD3 PRO 15 HD1 PRO 15 -0.050 -7.897 -9.385
40 H CYS 16 HN CYS 16 -1.464 -4.935 -8.169
41 HA CYS 16 HA CYS 16 -3.499 -2.803 -8.327
42 HB2 CYS 16 HB2 CYS 16 -3.848 -4.782 -6.086
43 HB3 CYS 16 HB1 CYS 16 -5.026 -3.833 -6.959
44 HA PRO 17 HA PRO 17 -4.409 -1.398 -7.304
45 HB2 PRO 17 HB2 PRO 17 -4.422 1.055 -6.305
46 HB3 PRO 17 HB1 PRO 17 -4.725 -0.320 -5.230
47 HG2 PRO 17 HG2 PRO 17 -2.198 1.219 -5.654
48 HG3 PRO 17 HG1 PRO 17 -2.939 0.756 -4.130
49 HD2 PRO 17 HD2 PRO 17 -0.893 -0.626 -5.368
50 HD3 PRO 17 HD1 PRO 17 -2.041 -1.369 -4.236
51 HA PRO 18 HA PRO 18 -5.574 0.430 -7.795
52 HB2 PRO 18 HB2 PRO 18 -6.543 2.400 -9.248
53 HB3 PRO 18 HB1 PRO 18 -5.334 2.749 -8.004
54 HG2 PRO 18 HG2 PRO 18 -5.046 2.710 -10.952
55 HG3 PRO 18 HG1 PRO 18 -4.134 3.644 -9.763
56 HD2 PRO 18 HD2 PRO 18 -3.413 1.115 -10.982
57 HD3 PRO 18 HD1 PRO 18 -2.470 2.075 -9.826
58 H PHE 19 HN PHE 19 -4.314 -0.731 -10.639
59 HA PHE 19 HA PHE 19 -6.899 -1.054 -11.976
60 HB2 PHE 19 HB2 PHE 19 -4.137 -1.747 -12.992
61 HB3 PHE 19 HB1 PHE 19 -5.629 -1.810 -13.922
62 HD1 PHE 19 HD1 PHE 19 -2.799 0.086 -13.223
63 HD2 PHE 19 HD2 PHE 19 -6.972 0.479 -13.934
64 HE1 PHE 19 HE1 PHE 19 -2.462 2.430 -13.881
65 HE2 PHE 19 HE2 PHE 19 -6.641 2.822 -14.595
66 HZ PHE 19 HZ PHE 19 -4.387 3.800 -14.569
67 H CYS 20 HN CYS 20 -7.525 -2.508 -10.227
68 HA CYS 20 HA CYS 20 -6.223 -5.122 -10.369
69 HB2 CYS 20 HB2 CYS 20 -6.727 -3.729 -8.188
70 HB3 CYS 20 HB1 CYS 20 -8.311 -4.483 -8.345
71 HN1 NH2 21 H1 CYS 20 -7.119 -6.154 -12.051
72 HN2 NH2 21 H2 CYS 20 -8.812 -6.437 -12.258
Start of MODEL 15
1 H1 GLY 11 HT1 GLY 11 0.583 0.578 -0.247
2 H2 GLY 11 HT2 GLY 11 1.981 1.097 0.550
3 H3 GLY 11 HT3 GLY 11 2.059 -0.189 -0.548
4 HA2 GLY 11 HA1 GLY 11 1.427 2.625 -1.197
5 HA3 GLY 11 HA2 GLY 11 2.945 1.803 -1.540
6 H PHE 12 HN PHE 12 2.321 2.579 -3.758
7 HA PHE 12 HA PHE 12 0.286 0.891 -4.982
8 HB2 PHE 12 HB2 PHE 12 1.494 3.507 -5.731
9 HB3 PHE 12 HB1 PHE 12 0.885 2.469 -7.015
10 HD1 PHE 12 HD1 PHE 12 -0.159 3.855 -3.716
11 HD2 PHE 12 HD2 PHE 12 -1.316 2.653 -7.627
12 HE1 PHE 12 HE1 PHE 12 -2.449 4.634 -3.276
13 HE2 PHE 12 HE2 PHE 12 -3.608 3.427 -7.194
14 HZ PHE 12 HZ PHE 12 -4.178 4.416 -5.014
15 H ARG 13 HN ARG 13 0.679 -0.200 -6.928
16 HA ARG 13 HA ARG 13 3.167 -0.564 -8.015
17 HB2 ARG 13 HB2 ARG 13 3.889 -2.762 -7.217
18 HB3 ARG 13 HB1 ARG 13 3.827 -1.633 -5.889
19 HG2 ARG 13 HG2 ARG 13 1.470 -3.444 -6.325
20 HG3 ARG 13 HG1 ARG 13 2.959 -4.127 -5.703
21 HD2 ARG 13 HD2 ARG 13 2.903 -2.473 -3.818
22 HD3 ARG 13 HD1 ARG 13 1.355 -1.891 -4.396
23 HE ARG 13 HE ARG 13 1.684 -4.717 -3.647
24 HH11 ARG 13 HH11 ARG 13 0.111 -1.604 -3.152
25 HH12 ARG 13 HH12 ARG 13 -1.095 -2.262 -2.104
26 HH21 ARG 13 HH21 ARG 13 0.104 -5.549 -2.235
27 HH22 ARG 13 HH22 ARG 13 -1.097 -4.496 -1.573
28 H SER 14 HN SER 14 3.105 -2.836 -9.391
29 HA SER 14 HA SER 14 0.422 -2.740 -10.505
30 HB2 SER 14 HB2 SER 14 1.572 -3.871 -12.482
31 HB3 SER 14 HB1 SER 14 2.041 -2.207 -12.142
32 HG SER 14 HG SER 14 3.930 -2.903 -11.275
33 HA PRO 15 HA PRO 15 -0.794 -3.617 -11.667
34 HB2 PRO 15 HB2 PRO 15 -3.047 -5.018 -11.906
35 HB3 PRO 15 HB1 PRO 15 -1.583 -5.471 -12.785
36 HG2 PRO 15 HG2 PRO 15 -2.824 -6.742 -10.406
37 HG3 PRO 15 HG1 PRO 15 -1.868 -7.473 -11.702
38 HD2 PRO 15 HD2 PRO 15 -0.962 -6.708 -9.116
39 HD3 PRO 15 HD1 PRO 15 0.029 -7.278 -10.472
40 H CYS 16 HN CYS 16 -1.504 -4.827 -8.532
41 HA CYS 16 HA CYS 16 -3.662 -2.825 -8.221
42 HB2 CYS 16 HB2 CYS 16 -3.533 -5.063 -6.205
43 HB3 CYS 16 HB1 CYS 16 -4.895 -4.190 -6.857
44 HA PRO 17 HA PRO 17 -4.406 -1.395 -7.345
45 HB2 PRO 17 HB2 PRO 17 -4.078 1.156 -6.191
46 HB3 PRO 17 HB1 PRO 17 -5.101 -0.139 -5.575
47 HG2 PRO 17 HG2 PRO 17 -2.812 0.889 -4.311
48 HG3 PRO 17 HG1 PRO 17 -3.647 -0.591 -3.900
49 HD2 PRO 17 HD2 PRO 17 -1.203 -0.198 -5.564
50 HD3 PRO 17 HD1 PRO 17 -1.598 -1.516 -4.439
51 HA PRO 18 HA PRO 18 -5.595 0.452 -7.784
52 HB2 PRO 18 HB2 PRO 18 -6.597 2.330 -9.326
53 HB3 PRO 18 HB1 PRO 18 -5.440 2.767 -8.063
54 HG2 PRO 18 HG2 PRO 18 -5.043 2.592 -11.007
55 HG3 PRO 18 HG1 PRO 18 -4.263 3.670 -9.844
56 HD2 PRO 18 HD2 PRO 18 -3.257 1.192 -10.888
57 HD3 PRO 18 HD1 PRO 18 -2.508 2.228 -9.655
58 H PHE 19 HN PHE 19 -4.221 -0.709 -10.589
59 HA PHE 19 HA PHE 19 -6.743 -1.138 -12.001
60 HB2 PHE 19 HB2 PHE 19 -3.934 -1.874 -12.854
61 HB3 PHE 19 HB1 PHE 19 -5.380 -1.958 -13.851
62 HD1 PHE 19 HD1 PHE 19 -2.559 -0.064 -13.113
63 HD2 PHE 19 HD2 PHE 19 -6.697 0.361 -14.003
64 HE1 PHE 19 HE1 PHE 19 -2.157 2.244 -13.860
65 HE2 PHE 19 HE2 PHE 19 -6.305 2.671 -14.752
66 HZ PHE 19 HZ PHE 19 -4.030 3.614 -14.680
67 H CYS 20 HN CYS 20 -7.660 -2.621 -10.522
68 HA CYS 20 HA CYS 20 -6.432 -5.279 -10.677
69 HB2 CYS 20 HB2 CYS 20 -6.310 -3.915 -8.418
70 HB3 CYS 20 HB1 CYS 20 -7.957 -4.508 -8.237
71 HN1 NH2 21 H1 CYS 20 -7.823 -5.905 -12.295
72 HN2 NH2 21 H2 CYS 20 -9.518 -6.124 -12.053
Start of MODEL 16
1 H1 GLY 11 HT1 GLY 11 -0.337 2.625 -0.618
2 H2 GLY 11 HT2 GLY 11 0.937 2.536 0.490
3 H3 GLY 11 HT3 GLY 11 0.392 1.139 -0.292
4 HA2 GLY 11 HA1 GLY 11 1.684 3.456 -1.604
5 HA3 GLY 11 HA2 GLY 11 2.459 1.917 -1.261
6 H PHE 12 HN PHE 12 2.723 2.322 -3.719
7 HA PHE 12 HA PHE 12 0.447 1.087 -5.096
8 HB2 PHE 12 HB2 PHE 12 2.223 3.342 -5.924
9 HB3 PHE 12 HB1 PHE 12 1.584 2.270 -7.165
10 HD1 PHE 12 HD1 PHE 12 0.331 4.064 -4.135
11 HD2 PHE 12 HD2 PHE 12 -0.347 2.944 -8.187
12 HE1 PHE 12 HE1 PHE 12 -1.806 5.270 -4.106
13 HE2 PHE 12 HE2 PHE 12 -2.489 4.151 -8.161
14 HZ PHE 12 HZ PHE 12 -3.220 5.314 -6.117
15 H ARG 13 HN ARG 13 0.965 -0.189 -6.957
16 HA ARG 13 HA ARG 13 3.488 -1.055 -7.575
17 HB2 ARG 13 HB2 ARG 13 3.621 -3.337 -6.645
18 HB3 ARG 13 HB1 ARG 13 3.632 -2.139 -5.373
19 HG2 ARG 13 HG2 ARG 13 1.018 -3.432 -6.075
20 HG3 ARG 13 HG1 ARG 13 2.233 -4.392 -5.249
21 HD2 ARG 13 HD2 ARG 13 2.303 -2.780 -3.392
22 HD3 ARG 13 HD1 ARG 13 1.144 -1.748 -4.199
23 HE ARG 13 HE ARG 13 0.191 -4.432 -3.745
24 HH11 ARG 13 HH11 ARG 13 0.521 -1.227 -2.353
25 HH12 ARG 13 HH12 ARG 13 -0.828 -1.413 -1.293
26 HH21 ARG 13 HH21 ARG 13 -1.589 -4.676 -2.343
27 HH22 ARG 13 HH22 ARG 13 -2.027 -3.386 -1.278
28 H SER 14 HN SER 14 3.255 -3.353 -8.896
29 HA SER 14 HA SER 14 0.808 -2.919 -10.411
30 HB2 SER 14 HB2 SER 14 2.030 -4.138 -12.247
31 HB3 SER 14 HB1 SER 14 2.772 -2.615 -11.759
32 HG SER 14 HG SER 14 4.318 -3.751 -10.611
33 HA PRO 15 HA PRO 15 -0.482 -3.599 -11.548
34 HB2 PRO 15 HB2 PRO 15 -2.828 -4.770 -12.039
35 HB3 PRO 15 HB1 PRO 15 -1.343 -5.322 -12.821
36 HG2 PRO 15 HG2 PRO 15 -2.899 -6.576 -10.630
37 HG3 PRO 15 HG1 PRO 15 -1.881 -7.335 -11.863
38 HD2 PRO 15 HD2 PRO 15 -1.180 -6.736 -9.163
39 HD3 PRO 15 HD1 PRO 15 -0.120 -7.372 -10.434
40 H CYS 16 HN CYS 16 -1.555 -4.888 -8.553
41 HA CYS 16 HA CYS 16 -3.597 -2.760 -8.289
42 HB2 CYS 16 HB2 CYS 16 -3.594 -4.961 -6.235
43 HB3 CYS 16 HB1 CYS 16 -4.907 -4.071 -6.957
44 HA PRO 17 HA PRO 17 -4.415 -1.404 -7.327
45 HB2 PRO 17 HB2 PRO 17 -4.525 0.994 -6.212
46 HB3 PRO 17 HB1 PRO 17 -4.811 -0.441 -5.217
47 HG2 PRO 17 HG2 PRO 17 -2.360 1.231 -5.466
48 HG3 PRO 17 HG1 PRO 17 -3.093 0.583 -4.006
49 HD2 PRO 17 HD2 PRO 17 -0.953 -0.562 -5.375
50 HD3 PRO 17 HD1 PRO 17 -2.011 -1.432 -4.248
51 HA PRO 18 HA PRO 18 -5.631 0.422 -7.776
52 HB2 PRO 18 HB2 PRO 18 -6.674 2.244 -9.367
53 HB3 PRO 18 HB1 PRO 18 -5.551 2.735 -8.090
54 HG2 PRO 18 HG2 PRO 18 -5.098 2.529 -11.024
55 HG3 PRO 18 HG1 PRO 18 -4.383 3.654 -9.864
56 HD2 PRO 18 HD2 PRO 18 -3.251 1.216 -10.852
57 HD3 PRO 18 HD1 PRO 18 -2.582 2.284 -9.601
58 H PHE 19 HN PHE 19 -4.182 -0.643 -10.600
59 HA PHE 19 HA PHE 19 -6.643 -1.190 -12.041
60 HB2 PHE 19 HB2 PHE 19 -3.811 -1.985 -12.747
61 HB3 PHE 19 HB1 PHE 19 -5.214 -2.055 -13.807
62 HD1 PHE 19 HD1 PHE 19 -2.393 -0.199 -12.964
63 HD2 PHE 19 HD2 PHE 19 -6.479 0.278 -14.055
64 HE1 PHE 19 HE1 PHE 19 -1.923 2.095 -13.710
65 HE2 PHE 19 HE2 PHE 19 -6.014 2.574 -14.806
66 HZ PHE 19 HZ PHE 19 -3.733 3.484 -14.633
67 H CYS 20 HN CYS 20 -7.732 -2.661 -10.796
68 HA CYS 20 HA CYS 20 -6.549 -5.320 -10.723
69 HB2 CYS 20 HB2 CYS 20 -6.282 -3.848 -8.531
70 HB3 CYS 20 HB1 CYS 20 -7.934 -4.391 -8.258
71 HN1 NH2 21 H1 CYS 20 -8.081 -5.839 -12.302
72 HN2 NH2 21 H2 CYS 20 -9.763 -5.995 -11.942
Start of MODEL 17
1 H1 GLY 11 HT1 GLY 11 2.108 4.424 -2.365
2 H2 GLY 11 HT2 GLY 11 3.181 4.022 -1.119
3 H3 GLY 11 HT3 GLY 11 1.820 3.067 -1.407
4 HA2 GLY 11 HA1 GLY 11 4.070 3.425 -3.285
5 HA3 GLY 11 HA2 GLY 11 3.833 2.030 -2.242
6 H PHE 12 HN PHE 12 3.979 2.053 -5.110
7 HA PHE 12 HA PHE 12 1.289 1.053 -5.705
8 HB2 PHE 12 HB2 PHE 12 3.011 2.894 -7.311
9 HB3 PHE 12 HB1 PHE 12 1.984 1.741 -8.155
10 HD1 PHE 12 HD1 PHE 12 1.734 4.185 -5.344
11 HD2 PHE 12 HD2 PHE 12 -0.098 2.453 -8.765
12 HE1 PHE 12 HE1 PHE 12 -0.198 5.671 -5.055
13 HE2 PHE 12 HE2 PHE 12 -2.036 3.936 -8.482
14 HZ PHE 12 HZ PHE 12 -2.087 5.547 -6.622
15 H ARG 13 HN ARG 13 1.234 -0.541 -7.453
16 HA ARG 13 HA ARG 13 3.498 -1.842 -8.312
17 HB2 ARG 13 HB2 ARG 13 3.470 -3.978 -7.018
18 HB3 ARG 13 HB1 ARG 13 3.950 -2.607 -6.046
19 HG2 ARG 13 HG2 ARG 13 1.072 -3.477 -5.945
20 HG3 ARG 13 HG1 ARG 13 2.286 -4.490 -5.188
21 HD2 ARG 13 HD2 ARG 13 2.981 -2.722 -3.704
22 HD3 ARG 13 HD1 ARG 13 1.996 -1.532 -4.530
23 HE ARG 13 HE ARG 13 0.662 -3.817 -3.265
24 HH11 ARG 13 HH11 ARG 13 1.422 -0.387 -3.212
25 HH12 ARG 13 HH12 ARG 13 0.171 0.000 -2.086
26 HH21 ARG 13 HH21 ARG 13 -0.995 -3.298 -1.774
27 HH22 ARG 13 HH22 ARG 13 -1.198 -1.661 -1.255
28 H SER 14 HN SER 14 2.843 -4.235 -9.179
29 HA SER 14 HA SER 14 0.205 -3.815 -10.354
30 HB2 SER 14 HB2 SER 14 2.471 -5.604 -11.267
31 HB3 SER 14 HB1 SER 14 0.968 -5.307 -12.137
32 HG SER 14 HG SER 14 2.778 -3.247 -11.415
33 HA PRO 15 HA PRO 15 -1.123 -4.797 -11.413
34 HB2 PRO 15 HB2 PRO 15 -3.508 -5.991 -11.565
35 HB3 PRO 15 HB1 PRO 15 -2.050 -6.770 -12.192
36 HG2 PRO 15 HG2 PRO 15 -3.608 -7.380 -9.745
37 HG3 PRO 15 HG1 PRO 15 -2.605 -8.450 -10.737
38 HD2 PRO 15 HD2 PRO 15 -1.892 -7.155 -8.285
39 HD3 PRO 15 HD1 PRO 15 -0.856 -8.158 -9.318
40 H CYS 16 HN CYS 16 -1.840 -4.984 -8.167
41 HA CYS 16 HA CYS 16 -3.782 -2.755 -8.315
42 HB2 CYS 16 HB2 CYS 16 -4.202 -4.717 -6.063
43 HB3 CYS 16 HB1 CYS 16 -5.352 -3.743 -6.949
44 HA PRO 17 HA PRO 17 -4.432 -1.077 -7.350
45 HB2 PRO 17 HB2 PRO 17 -3.896 1.408 -6.539
46 HB3 PRO 17 HB1 PRO 17 -4.473 0.208 -5.373
47 HG2 PRO 17 HG2 PRO 17 -1.671 1.115 -5.923
48 HG3 PRO 17 HG1 PRO 17 -2.483 0.967 -4.366
49 HD2 PRO 17 HD2 PRO 17 -0.813 -0.930 -5.408
50 HD3 PRO 17 HD1 PRO 17 -2.141 -1.312 -4.294
51 HA PRO 18 HA PRO 18 -5.128 1.234 -7.873
52 HB2 PRO 18 HB2 PRO 18 -5.895 2.883 -9.785
53 HB3 PRO 18 HB1 PRO 18 -4.539 3.324 -8.739
54 HG2 PRO 18 HG2 PRO 18 -4.518 2.282 -11.531
55 HG3 PRO 18 HG1 PRO 18 -3.490 3.523 -10.810
56 HD2 PRO 18 HD2 PRO 18 -2.800 0.825 -11.154
57 HD3 PRO 18 HD1 PRO 18 -1.974 1.971 -10.081
58 H PHE 19 HN PHE 19 -4.386 -0.448 -10.756
59 HA PHE 19 HA PHE 19 -7.154 -0.973 -11.464
60 HB2 PHE 19 HB2 PHE 19 -4.645 -2.289 -12.545
61 HB3 PHE 19 HB1 PHE 19 -6.247 -2.313 -13.269
62 HD1 PHE 19 HD1 PHE 19 -3.103 -0.921 -13.512
63 HD2 PHE 19 HD2 PHE 19 -7.210 0.179 -13.675
64 HE1 PHE 19 HE1 PHE 19 -2.512 1.069 -14.826
65 HE2 PHE 19 HE2 PHE 19 -6.627 2.175 -14.991
66 HZ PHE 19 HZ PHE 19 -4.275 2.620 -15.568
67 H CYS 20 HN CYS 20 -7.480 -3.543 -11.877
68 HA CYS 20 HA CYS 20 -6.075 -5.336 -10.257
69 HB2 CYS 20 HB2 CYS 20 -7.475 -3.796 -8.589
70 HB3 CYS 20 HB1 CYS 20 -8.754 -4.934 -9.009
71 HN1 NH2 21 H1 CYS 20 -6.270 -6.527 -12.135
72 HN2 NH2 21 H2 CYS 20 -7.744 -7.290 -12.612
Start of MODEL 18
1 H1 GLY 11 HT1 GLY 11 1.832 3.720 -2.352
2 H2 GLY 11 HT2 GLY 11 1.985 3.191 -0.752
3 H3 GLY 11 HT3 GLY 11 0.507 3.035 -1.556
4 HA2 GLY 11 HA1 GLY 11 3.010 1.634 -2.265
5 HA3 GLY 11 HA2 GLY 11 1.645 0.917 -1.424
6 H PHE 12 HN PHE 12 2.932 1.929 -4.437
7 HA PHE 12 HA PHE 12 0.537 0.912 -5.795
8 HB2 PHE 12 HB2 PHE 12 2.335 3.200 -6.426
9 HB3 PHE 12 HB1 PHE 12 1.657 2.291 -7.771
10 HD1 PHE 12 HD1 PHE 12 0.599 3.908 -4.587
11 HD2 PHE 12 HD2 PHE 12 -0.387 2.908 -8.601
12 HE1 PHE 12 HE1 PHE 12 -1.517 5.141 -4.370
13 HE2 PHE 12 HE2 PHE 12 -2.504 4.139 -8.391
14 HZ PHE 12 HZ PHE 12 -3.071 5.256 -6.273
15 H ARG 13 HN ARG 13 0.769 -0.516 -7.451
16 HA ARG 13 HA ARG 13 3.170 -1.319 -8.542
17 HB2 ARG 13 HB2 ARG 13 3.652 -3.476 -7.520
18 HB3 ARG 13 HB1 ARG 13 3.709 -2.236 -6.288
19 HG2 ARG 13 HG2 ARG 13 1.142 -3.724 -6.603
20 HG3 ARG 13 HG1 ARG 13 2.517 -4.616 -5.980
21 HD2 ARG 13 HD2 ARG 13 2.766 -3.127 -4.106
22 HD3 ARG 13 HD1 ARG 13 1.577 -2.002 -4.734
23 HE ARG 13 HE ARG 13 0.162 -4.295 -4.475
24 HH11 ARG 13 HH11 ARG 13 2.245 -2.522 -2.275
25 HH12 ARG 13 HH12 ARG 13 1.374 -3.017 -0.867
26 HH21 ARG 13 HH21 ARG 13 -0.978 -4.942 -2.624
27 HH22 ARG 13 HH22 ARG 13 -0.469 -4.402 -1.059
28 H SER 14 HN SER 14 2.804 -3.720 -9.623
29 HA SER 14 HA SER 14 0.124 -3.492 -10.725
30 HB2 SER 14 HB2 SER 14 2.513 -4.987 -11.819
31 HB3 SER 14 HB1 SER 14 0.997 -4.659 -12.661
32 HG SER 14 HG SER 14 1.498 -2.398 -12.404
33 HA PRO 15 HA PRO 15 -1.274 -4.340 -11.605
34 HB2 PRO 15 HB2 PRO 15 -3.557 -5.669 -11.761
35 HB3 PRO 15 HB1 PRO 15 -2.107 -6.288 -12.563
36 HG2 PRO 15 HG2 PRO 15 -3.435 -7.228 -10.072
37 HG3 PRO 15 HG1 PRO 15 -2.530 -8.151 -11.281
38 HD2 PRO 15 HD2 PRO 15 -1.563 -7.151 -8.788
39 HD3 PRO 15 HD1 PRO 15 -0.621 -7.947 -10.064
40 H CYS 16 HN CYS 16 -1.478 -4.847 -8.366
41 HA CYS 16 HA CYS 16 -3.754 -2.997 -8.104
42 HB2 CYS 16 HB2 CYS 16 -3.493 -5.099 -5.950
43 HB3 CYS 16 HB1 CYS 16 -4.887 -4.203 -6.497
44 HA PRO 17 HA PRO 17 -4.424 -1.498 -7.356
45 HB2 PRO 17 HB2 PRO 17 -4.543 0.914 -6.310
46 HB3 PRO 17 HB1 PRO 17 -4.742 -0.487 -5.244
47 HG2 PRO 17 HG2 PRO 17 -2.354 1.249 -5.669
48 HG3 PRO 17 HG1 PRO 17 -2.992 0.617 -4.153
49 HD2 PRO 17 HD2 PRO 17 -0.899 -0.506 -5.652
50 HD3 PRO 17 HD1 PRO 17 -1.813 -1.338 -4.380
51 HA PRO 18 HA PRO 18 -5.656 0.340 -7.820
52 HB2 PRO 18 HB2 PRO 18 -6.654 2.310 -9.275
53 HB3 PRO 18 HB1 PRO 18 -5.507 2.663 -7.975
54 HG2 PRO 18 HG2 PRO 18 -5.102 2.746 -10.908
55 HG3 PRO 18 HG1 PRO 18 -4.251 3.634 -9.641
56 HD2 PRO 18 HD2 PRO 18 -3.456 1.175 -10.956
57 HD3 PRO 18 HD1 PRO 18 -2.559 2.109 -9.741
58 H PHE 19 HN PHE 19 -4.347 -0.630 -10.742
59 HA PHE 19 HA PHE 19 -6.871 -0.951 -12.169
60 HB2 PHE 19 HB2 PHE 19 -4.088 -1.802 -13.007
61 HB3 PHE 19 HB1 PHE 19 -5.510 -1.696 -14.037
62 HD1 PHE 19 HD1 PHE 19 -2.588 -0.068 -13.015
63 HD2 PHE 19 HD2 PHE 19 -6.623 0.698 -14.122
64 HE1 PHE 19 HE1 PHE 19 -1.989 2.251 -13.565
65 HE2 PHE 19 HE2 PHE 19 -6.029 3.024 -14.676
66 HZ PHE 19 HZ PHE 19 -3.711 3.801 -14.397
67 H CYS 20 HN CYS 20 -7.050 -2.358 -9.928
68 HA CYS 20 HA CYS 20 -6.026 -5.039 -10.269
69 HB2 CYS 20 HB2 CYS 20 -6.297 -3.735 -8.049
70 HB3 CYS 20 HB1 CYS 20 -7.989 -4.209 -8.155
71 HN1 NH2 21 H1 CYS 20 -7.094 -5.665 -12.165
72 HN2 NH2 21 H2 CYS 20 -8.768 -6.093 -12.167
Start of MODEL 19
1 H1 GLY 11 HT1 GLY 11 0.662 4.284 -2.664
2 H2 GLY 11 HT2 GLY 11 1.215 3.870 -1.123
3 H3 GLY 11 HT3 GLY 11 -0.147 3.101 -1.769
4 HA2 GLY 11 HA1 GLY 11 2.608 2.885 -2.827
5 HA3 GLY 11 HA2 GLY 11 1.784 1.663 -1.870
6 H PHE 12 HN PHE 12 2.085 3.154 -4.963
7 HA PHE 12 HA PHE 12 -0.029 1.465 -6.081
8 HB2 PHE 12 HB2 PHE 12 1.406 3.911 -7.102
9 HB3 PHE 12 HB1 PHE 12 0.486 2.874 -8.189
10 HD1 PHE 12 HD1 PHE 12 0.024 4.483 -4.844
11 HD2 PHE 12 HD2 PHE 12 -1.661 3.536 -8.631
12 HE1 PHE 12 HE1 PHE 12 -2.054 5.619 -4.197
13 HE2 PHE 12 HE2 PHE 12 -3.745 4.671 -7.988
14 HZ PHE 12 HZ PHE 12 -3.941 5.711 -5.767
15 H ARG 13 HN ARG 13 0.363 -0.098 -7.587
16 HA ARG 13 HA ARG 13 2.831 -0.557 -8.769
17 HB2 ARG 13 HB2 ARG 13 3.839 -2.341 -7.520
18 HB3 ARG 13 HB1 ARG 13 3.567 -1.022 -6.405
19 HG2 ARG 13 HG2 ARG 13 1.460 -3.135 -6.523
20 HG3 ARG 13 HG1 ARG 13 3.022 -3.605 -5.877
21 HD2 ARG 13 HD2 ARG 13 2.884 -1.824 -4.175
22 HD3 ARG 13 HD1 ARG 13 1.336 -1.300 -4.810
23 HE ARG 13 HE ARG 13 1.391 -4.068 -4.012
24 HH11 ARG 13 HH11 ARG 13 0.813 -0.768 -2.965
25 HH12 ARG 13 HH12 ARG 13 -0.129 -1.242 -1.596
26 HH21 ARG 13 HH21 ARG 13 0.135 -4.688 -2.202
27 HH22 ARG 13 HH22 ARG 13 -0.517 -3.468 -1.163
28 H SER 14 HN SER 14 2.939 -3.118 -9.485
29 HA SER 14 HA SER 14 0.230 -3.623 -10.412
30 HB2 SER 14 HB2 SER 14 1.493 -5.184 -12.023
31 HB3 SER 14 HB1 SER 14 1.703 -3.448 -12.247
32 HG SER 14 HG SER 14 3.719 -3.568 -11.488
33 HA PRO 15 HA PRO 15 -0.813 -5.183 -11.336
34 HB2 PRO 15 HB2 PRO 15 -2.955 -6.690 -10.812
35 HB3 PRO 15 HB1 PRO 15 -1.493 -7.386 -11.524
36 HG2 PRO 15 HG2 PRO 15 -2.482 -7.515 -8.713
37 HG3 PRO 15 HG1 PRO 15 -1.655 -8.755 -9.669
38 HD2 PRO 15 HD2 PRO 15 -0.452 -7.101 -7.772
39 HD3 PRO 15 HD1 PRO 15 0.402 -8.006 -9.034
40 H CYS 16 HN CYS 16 -1.274 -4.907 -7.949
41 HA CYS 16 HA CYS 16 -3.308 -2.832 -8.364
42 HB2 CYS 16 HB2 CYS 16 -3.871 -4.680 -6.054
43 HB3 CYS 16 HB1 CYS 16 -4.961 -3.728 -7.034
44 HA PRO 17 HA PRO 17 -4.394 -1.461 -7.315
45 HB2 PRO 17 HB2 PRO 17 -4.520 0.996 -6.334
46 HB3 PRO 17 HB1 PRO 17 -4.775 -0.379 -5.246
47 HG2 PRO 17 HG2 PRO 17 -2.301 1.235 -5.699
48 HG3 PRO 17 HG1 PRO 17 -3.051 0.811 -4.160
49 HD2 PRO 17 HD2 PRO 17 -0.953 -0.564 -5.287
50 HD3 PRO 17 HD1 PRO 17 -2.131 -1.314 -4.190
51 HA PRO 18 HA PRO 18 -5.585 0.445 -7.793
52 HB2 PRO 18 HB2 PRO 18 -6.583 2.274 -9.440
53 HB3 PRO 18 HB1 PRO 18 -5.487 2.734 -8.131
54 HG2 PRO 18 HG2 PRO 18 -4.995 2.632 -11.040
55 HG3 PRO 18 HG1 PRO 18 -4.177 3.597 -9.809
56 HD2 PRO 18 HD2 PRO 18 -3.335 1.079 -10.964
57 HD3 PRO 18 HD1 PRO 18 -2.480 2.077 -9.773
58 H PHE 19 HN PHE 19 -4.386 -0.374 -10.938
59 HA PHE 19 HA PHE 19 -6.966 -1.034 -12.059
60 HB2 PHE 19 HB2 PHE 19 -4.268 -1.851 -13.140
61 HB3 PHE 19 HB1 PHE 19 -5.781 -1.709 -14.024
62 HD1 PHE 19 HD1 PHE 19 -2.737 -0.151 -13.209
63 HD2 PHE 19 HD2 PHE 19 -6.807 0.697 -14.113
64 HE1 PHE 19 HE1 PHE 19 -2.111 2.139 -13.840
65 HE2 PHE 19 HE2 PHE 19 -6.184 2.996 -14.747
66 HZ PHE 19 HZ PHE 19 -3.834 3.716 -14.611
67 H CYS 20 HN CYS 20 -7.707 -2.515 -10.478
68 HA CYS 20 HA CYS 20 -6.271 -5.080 -10.467
69 HB2 CYS 20 HB2 CYS 20 -6.538 -3.648 -8.307
70 HB3 CYS 20 HB1 CYS 20 -8.182 -4.274 -8.308
71 HN1 NH2 21 H1 CYS 20 -7.357 -5.904 -12.236
72 HN2 NH2 21 H2 CYS 20 -9.030 -6.328 -12.198
Start of MODEL 20
1 H1 GLY 11 HT1 GLY 11 1.171 3.364 -1.740
2 H2 GLY 11 HT2 GLY 11 2.264 3.111 -0.477
3 H3 GLY 11 HT3 GLY 11 1.057 1.972 -0.794
4 HA2 GLY 11 HA1 GLY 11 3.326 2.635 -2.569
5 HA3 GLY 11 HA2 GLY 11 3.161 1.176 -1.607
6 H PHE 12 HN PHE 12 3.035 2.164 -4.630
7 HA PHE 12 HA PHE 12 0.633 0.673 -5.389
8 HB2 PHE 12 HB2 PHE 12 2.339 2.712 -6.768
9 HB3 PHE 12 HB1 PHE 12 1.359 1.610 -7.728
10 HD1 PHE 12 HD1 PHE 12 0.793 3.525 -4.559
11 HD2 PHE 12 HD2 PHE 12 -0.531 2.627 -8.508
12 HE1 PHE 12 HE1 PHE 12 -1.182 4.937 -4.215
13 HE2 PHE 12 HE2 PHE 12 -2.510 4.043 -8.162
14 HZ PHE 12 HZ PHE 12 -2.836 5.194 -6.012
15 H ARG 13 HN ARG 13 0.644 -1.046 -6.753
16 HA ARG 13 HA ARG 13 3.208 -2.130 -7.572
17 HB2 ARG 13 HB2 ARG 13 1.258 -3.669 -5.766
18 HB3 ARG 13 HB1 ARG 13 2.319 -4.511 -6.855
19 HG2 ARG 13 HG2 ARG 13 3.242 -4.593 -4.662
20 HG3 ARG 13 HG1 ARG 13 4.302 -3.577 -5.616
21 HD2 ARG 13 HD2 ARG 13 3.222 -1.579 -4.577
22 HD3 ARG 13 HD1 ARG 13 2.210 -2.659 -3.614
23 HE ARG 13 HE ARG 13 5.062 -3.054 -3.320
24 HH11 ARG 13 HH11 ARG 13 2.190 -1.444 -2.110
25 HH12 ARG 13 HH12 ARG 13 2.900 -1.053 -0.584
26 HH21 ARG 13 HH21 ARG 13 6.002 -2.554 -1.301
27 HH22 ARG 13 HH22 ARG 13 5.081 -1.685 -0.122
28 H SER 14 HN SER 14 2.680 -4.249 -9.050
29 HA SER 14 HA SER 14 0.431 -3.391 -10.681
30 HB2 SER 14 HB2 SER 14 1.622 -4.718 -12.479
31 HB3 SER 14 HB1 SER 14 2.477 -3.286 -11.901
32 HG SER 14 HG SER 14 4.046 -4.566 -11.393
33 HA PRO 15 HA PRO 15 -1.062 -3.732 -11.597
34 HB2 PRO 15 HB2 PRO 15 -3.502 -4.622 -12.156
35 HB3 PRO 15 HB1 PRO 15 -2.092 -5.224 -13.036
36 HG2 PRO 15 HG2 PRO 15 -3.750 -6.581 -10.994
37 HG3 PRO 15 HG1 PRO 15 -2.763 -7.279 -12.286
38 HD2 PRO 15 HD2 PRO 15 -2.078 -6.946 -9.508
39 HD3 PRO 15 HD1 PRO 15 -1.095 -7.663 -10.800
40 H CYS 16 HN CYS 16 -1.623 -4.912 -8.597
41 HA CYS 16 HA CYS 16 -3.856 -3.047 -8.069
42 HB2 CYS 16 HB2 CYS 16 -3.325 -5.198 -6.028
43 HB3 CYS 16 HB1 CYS 16 -4.810 -4.429 -6.517
44 HA PRO 17 HA PRO 17 -4.448 -1.521 -7.406
45 HB2 PRO 17 HB2 PRO 17 -4.628 0.856 -6.274
46 HB3 PRO 17 HB1 PRO 17 -4.851 -0.589 -5.278
47 HG2 PRO 17 HG2 PRO 17 -2.501 1.218 -5.495
48 HG3 PRO 17 HG1 PRO 17 -3.145 0.432 -4.066
49 HD2 PRO 17 HD2 PRO 17 -0.987 -0.471 -5.657
50 HD3 PRO 17 HD1 PRO 17 -1.825 -1.407 -4.404
51 HA PRO 18 HA PRO 18 -5.711 0.311 -7.849
52 HB2 PRO 18 HB2 PRO 18 -6.689 2.344 -9.199
53 HB3 PRO 18 HB1 PRO 18 -5.527 2.648 -7.899
54 HG2 PRO 18 HG2 PRO 18 -5.135 2.785 -10.843
55 HG3 PRO 18 HG1 PRO 18 -4.314 3.693 -9.569
56 HD2 PRO 18 HD2 PRO 18 -3.429 1.279 -10.887
57 HD3 PRO 18 HD1 PRO 18 -2.592 2.199 -9.619
58 H PHE 19 HN PHE 19 -4.333 -0.882 -10.492
59 HA PHE 19 HA PHE 19 -6.713 -0.964 -12.210
60 HB2 PHE 19 HB2 PHE 19 -3.890 -1.888 -12.794
61 HB3 PHE 19 HB1 PHE 19 -5.217 -1.808 -13.946
62 HD1 PHE 19 HD1 PHE 19 -2.369 -0.176 -12.794
63 HD2 PHE 19 HD2 PHE 19 -6.340 0.602 -14.105
64 HE1 PHE 19 HE1 PHE 19 -1.730 2.134 -13.346
65 HE2 PHE 19 HE2 PHE 19 -5.708 2.914 -14.662
66 HZ PHE 19 HZ PHE 19 -3.402 3.681 -14.282
67 H CYS 20 HN CYS 20 -6.744 -2.430 -9.796
68 HA CYS 20 HA CYS 20 -6.116 -5.176 -10.429
69 HB2 CYS 20 HB2 CYS 20 -6.015 -3.952 -8.120
70 HB3 CYS 20 HB1 CYS 20 -7.728 -4.351 -8.050
71 HN1 NH2 21 H1 CYS 20 -7.457 -5.665 -12.153
72 HN2 NH2 21 H2 CYS 20 -9.170 -5.824 -11.997
Start of MODEL 21
1 H1 GLY 11 HT1 GLY 11 0.291 1.180 -1.261
2 H2 GLY 11 HT2 GLY 11 1.463 0.751 -0.129
3 H3 GLY 11 HT3 GLY 11 0.734 -0.435 -1.094
4 HA2 GLY 11 HA1 GLY 11 2.515 1.733 -2.031
5 HA3 GLY 11 HA2 GLY 11 2.927 0.027 -1.915
6 H PHE 12 HN PHE 12 3.158 1.425 -4.288
7 HA PHE 12 HA PHE 12 0.808 0.635 -5.847
8 HB2 PHE 12 HB2 PHE 12 2.874 2.734 -6.209
9 HB3 PHE 12 HB1 PHE 12 2.228 1.984 -7.666
10 HD1 PHE 12 HD1 PHE 12 1.137 3.604 -4.500
11 HD2 PHE 12 HD2 PHE 12 0.253 2.751 -8.572
12 HE1 PHE 12 HE1 PHE 12 -0.870 5.017 -4.357
13 HE2 PHE 12 HE2 PHE 12 -1.755 4.164 -8.436
14 HZ PHE 12 HZ PHE 12 -2.319 5.298 -6.324
15 H ARG 13 HN ARG 13 0.854 -1.135 -6.927
16 HA ARG 13 HA ARG 13 3.326 -2.120 -8.059
17 HB2 ARG 13 HB2 ARG 13 1.735 -3.800 -6.061
18 HB3 ARG 13 HB1 ARG 13 3.089 -4.358 -7.010
19 HG2 ARG 13 HG2 ARG 13 4.661 -3.368 -5.647
20 HG3 ARG 13 HG1 ARG 13 3.602 -2.045 -5.160
21 HD2 ARG 13 HD2 ARG 13 4.085 -3.589 -3.336
22 HD3 ARG 13 HD1 ARG 13 2.372 -3.527 -3.702
23 HE ARG 13 HE ARG 13 4.166 -5.760 -4.481
24 HH11 ARG 13 HH11 ARG 13 0.956 -4.534 -3.711
25 HH12 ARG 13 HH12 ARG 13 0.198 -6.078 -3.876
26 HH21 ARG 13 HH21 ARG 13 3.131 -7.809 -4.707
27 HH22 ARG 13 HH22 ARG 13 1.424 -7.929 -4.443
28 H SER 14 HN SER 14 2.710 -4.368 -9.265
29 HA SER 14 HA SER 14 0.195 -3.786 -10.604
30 HB2 SER 14 HB2 SER 14 2.462 -5.602 -11.457
31 HB3 SER 14 HB1 SER 14 1.075 -5.128 -12.436
32 HG SER 14 HG SER 14 2.552 -3.056 -11.337
33 HA PRO 15 HA PRO 15 -1.242 -4.471 -11.607
34 HB2 PRO 15 HB2 PRO 15 -3.719 -5.410 -11.808
35 HB3 PRO 15 HB1 PRO 15 -2.363 -6.265 -12.552
36 HG2 PRO 15 HG2 PRO 15 -3.891 -6.928 -10.086
37 HG3 PRO 15 HG1 PRO 15 -3.123 -8.010 -11.255
38 HD2 PRO 15 HD2 PRO 15 -2.070 -7.172 -8.754
39 HD3 PRO 15 HD1 PRO 15 -1.222 -8.086 -10.016
40 H CYS 16 HN CYS 16 -2.075 -5.114 -8.369
41 HA CYS 16 HA CYS 16 -3.915 -2.783 -8.288
42 HB2 CYS 16 HB2 CYS 16 -4.140 -4.784 -6.044
43 HB3 CYS 16 HB1 CYS 16 -5.358 -3.819 -6.838
44 HA PRO 17 HA PRO 17 -4.424 -1.150 -7.474
45 HB2 PRO 17 HB2 PRO 17 -4.090 1.300 -6.481
46 HB3 PRO 17 HB1 PRO 17 -4.627 -0.012 -5.422
47 HG2 PRO 17 HG2 PRO 17 -1.938 1.219 -5.724
48 HG3 PRO 17 HG1 PRO 17 -2.760 0.708 -4.250
49 HD2 PRO 17 HD2 PRO 17 -0.833 -0.763 -5.659
50 HD3 PRO 17 HD1 PRO 17 -1.940 -1.413 -4.436
51 HA PRO 18 HA PRO 18 -5.207 1.178 -7.872
52 HB2 PRO 18 HB2 PRO 18 -5.911 2.993 -9.646
53 HB3 PRO 18 HB1 PRO 18 -4.607 3.346 -8.504
54 HG2 PRO 18 HG2 PRO 18 -4.460 2.634 -11.388
55 HG3 PRO 18 HG1 PRO 18 -3.440 3.741 -10.466
56 HD2 PRO 18 HD2 PRO 18 -2.846 1.048 -11.111
57 HD3 PRO 18 HD1 PRO 18 -1.963 2.079 -9.968
58 H PHE 19 HN PHE 19 -4.323 -0.688 -10.361
59 HA PHE 19 HA PHE 19 -7.033 -1.012 -11.441
60 HB2 PHE 19 HB2 PHE 19 -4.466 -2.341 -12.354
61 HB3 PHE 19 HB1 PHE 19 -6.002 -2.307 -13.211
62 HD1 PHE 19 HD1 PHE 19 -2.829 -0.870 -12.966
63 HD2 PHE 19 HD2 PHE 19 -6.888 0.106 -13.769
64 HE1 PHE 19 HE1 PHE 19 -2.105 1.163 -14.140
65 HE2 PHE 19 HE2 PHE 19 -6.169 2.141 -14.946
66 HZ PHE 19 HZ PHE 19 -3.772 2.670 -15.132
67 H CYS 20 HN CYS 20 -7.342 -3.588 -11.887
68 HA CYS 20 HA CYS 20 -6.082 -5.403 -10.194
69 HB2 CYS 20 HB2 CYS 20 -7.498 -3.792 -8.584
70 HB3 CYS 20 HB1 CYS 20 -8.776 -4.927 -9.015
71 HN1 NH2 21 H1 CYS 20 -6.251 -6.774 -11.883
72 HN2 NH2 21 H2 CYS 20 -7.739 -7.417 -12.480
Start of MODEL 22
1 H1 GLY 11 HT1 GLY 11 1.110 1.950 -0.693
2 H2 GLY 11 HT2 GLY 11 2.681 2.231 -0.142
3 H3 GLY 11 HT3 GLY 11 2.277 0.739 -0.830
4 HA2 GLY 11 HA1 GLY 11 2.317 3.343 -2.233
5 HA3 GLY 11 HA2 GLY 11 3.526 2.077 -2.389
6 H PHE 12 HN PHE 12 2.453 2.862 -4.645
7 HA PHE 12 HA PHE 12 0.264 1.033 -5.260
8 HB2 PHE 12 HB2 PHE 12 1.236 3.581 -6.487
9 HB3 PHE 12 HB1 PHE 12 0.388 2.417 -7.501
10 HD1 PHE 12 HD1 PHE 12 -0.045 3.847 -4.062
11 HD2 PHE 12 HD2 PHE 12 -1.825 2.866 -7.805
12 HE1 PHE 12 HE1 PHE 12 -2.212 4.672 -3.246
13 HE2 PHE 12 HE2 PHE 12 -3.995 3.688 -6.992
14 HZ PHE 12 HZ PHE 12 -4.189 4.590 -4.710
15 H ARG 13 HN ARG 13 0.382 -0.065 -7.387
16 HA ARG 13 HA ARG 13 2.787 -0.473 -8.650
17 HB2 ARG 13 HB2 ARG 13 3.485 -2.726 -7.915
18 HB3 ARG 13 HB1 ARG 13 3.655 -1.541 -6.643
19 HG2 ARG 13 HG2 ARG 13 1.176 -3.238 -6.705
20 HG3 ARG 13 HG1 ARG 13 2.693 -3.975 -6.227
21 HD2 ARG 13 HD2 ARG 13 2.956 -2.263 -4.438
22 HD3 ARG 13 HD1 ARG 13 1.411 -1.572 -4.866
23 HE ARG 13 HE ARG 13 0.842 -4.197 -4.355
24 HH11 ARG 13 HH11 ARG 13 2.398 -1.612 -2.590
25 HH12 ARG 13 HH12 ARG 13 1.902 -2.193 -1.039
26 HH21 ARG 13 HH21 ARG 13 0.181 -4.981 -2.308
27 HH22 ARG 13 HH22 ARG 13 0.638 -4.122 -0.877
28 H SER 14 HN SER 14 2.675 -2.736 -9.995
29 HA SER 14 HA SER 14 -0.070 -2.770 -10.937
30 HB2 SER 14 HB2 SER 14 1.060 -3.908 -12.956
31 HB3 SER 14 HB1 SER 14 1.369 -2.191 -12.698
32 HG SER 14 HG SER 14 3.315 -3.212 -13.084
33 HA PRO 15 HA PRO 15 -1.399 -3.711 -11.867
34 HB2 PRO 15 HB2 PRO 15 -3.580 -5.217 -11.853
35 HB3 PRO 15 HB1 PRO 15 -2.194 -5.644 -12.866
36 HG2 PRO 15 HG2 PRO 15 -3.101 -6.846 -10.293
37 HG3 PRO 15 HG1 PRO 15 -2.350 -7.625 -11.694
38 HD2 PRO 15 HD2 PRO 15 -1.047 -6.815 -9.324
39 HD3 PRO 15 HD1 PRO 15 -0.269 -7.324 -10.835
40 H CYS 16 HN CYS 16 -1.512 -4.808 -8.640
41 HA CYS 16 HA CYS 16 -3.797 -3.008 -8.090
42 HB2 CYS 16 HB2 CYS 16 -3.266 -5.215 -6.102
43 HB3 CYS 16 HB1 CYS 16 -4.747 -4.403 -6.535
44 HA PRO 17 HA PRO 17 -4.428 -1.517 -7.377
45 HB2 PRO 17 HB2 PRO 17 -4.373 0.964 -6.156
46 HB3 PRO 17 HB1 PRO 17 -5.099 -0.479 -5.448
47 HG2 PRO 17 HG2 PRO 17 -2.796 0.934 -4.512
48 HG3 PRO 17 HG1 PRO 17 -3.483 -0.527 -3.861
49 HD2 PRO 17 HD2 PRO 17 -1.194 -0.188 -5.720
50 HD3 PRO 17 HD1 PRO 17 -1.504 -1.482 -4.543
51 HA PRO 18 HA PRO 18 -5.760 0.188 -7.831
52 HB2 PRO 18 HB2 PRO 18 -6.862 2.132 -9.209
53 HB3 PRO 18 HB1 PRO 18 -5.737 2.529 -7.902
54 HG2 PRO 18 HG2 PRO 18 -5.324 2.655 -10.846
55 HG3 PRO 18 HG1 PRO 18 -4.593 3.645 -9.576
56 HD2 PRO 18 HD2 PRO 18 -3.499 1.297 -10.844
57 HD3 PRO 18 HD1 PRO 18 -2.765 2.289 -9.568
58 H PHE 19 HN PHE 19 -4.257 -0.804 -10.547
59 HA PHE 19 HA PHE 19 -6.539 -0.996 -12.346
60 HB2 PHE 19 HB2 PHE 19 -3.759 -2.131 -12.716
61 HB3 PHE 19 HB1 PHE 19 -4.970 -1.855 -13.961
62 HD1 PHE 19 HD1 PHE 19 -2.101 -0.571 -12.398
63 HD2 PHE 19 HD2 PHE 19 -5.755 0.636 -14.214
64 HE1 PHE 19 HE1 PHE 19 -1.165 1.672 -12.786
65 HE2 PHE 19 HE2 PHE 19 -4.820 2.878 -14.607
66 HZ PHE 19 HZ PHE 19 -2.527 3.397 -13.891
67 H CYS 20 HN CYS 20 -6.798 -2.378 -9.888
68 HA CYS 20 HA CYS 20 -6.278 -5.176 -10.470
69 HB2 CYS 20 HB2 CYS 20 -6.023 -3.887 -8.175
70 HB3 CYS 20 HB1 CYS 20 -7.730 -4.286 -8.023
71 HN1 NH2 21 H1 CYS 20 -7.709 -5.868 -11.955
72 HN2 NH2 21 H2 CYS 20 -9.428 -5.796 -11.783
Start of MODEL 23
1 H1 GLY 11 HT1 GLY 11 0.838 2.178 -0.706
2 H2 GLY 11 HT2 GLY 11 1.286 1.421 0.738
3 H3 GLY 11 HT3 GLY 11 -0.061 0.874 -0.119
4 HA2 GLY 11 HA1 GLY 11 2.736 0.779 -1.087
5 HA3 GLY 11 HA2 GLY 11 1.851 -0.587 -0.424
6 H PHE 12 HN PHE 12 2.606 1.153 -3.206
7 HA PHE 12 HA PHE 12 0.364 -0.010 -4.665
8 HB2 PHE 12 HB2 PHE 12 2.175 2.291 -5.186
9 HB3 PHE 12 HB1 PHE 12 1.526 1.425 -6.575
10 HD1 PHE 12 HD1 PHE 12 0.431 3.012 -3.390
11 HD2 PHE 12 HD2 PHE 12 -0.534 2.011 -7.409
12 HE1 PHE 12 HE1 PHE 12 -1.681 4.251 -3.186
13 HE2 PHE 12 HE2 PHE 12 -2.652 3.242 -7.214
14 HZ PHE 12 HZ PHE 12 -3.228 4.364 -5.099
15 H ARG 13 HN ARG 13 0.564 -1.521 -6.168
16 HA ARG 13 HA ARG 13 3.204 -2.379 -6.981
17 HB2 ARG 13 HB2 ARG 13 1.232 -4.275 -5.577
18 HB3 ARG 13 HB1 ARG 13 2.487 -4.857 -6.630
19 HG2 ARG 13 HG2 ARG 13 3.229 -5.189 -4.412
20 HG3 ARG 13 HG1 ARG 13 4.205 -3.873 -5.026
21 HD2 ARG 13 HD2 ARG 13 2.724 -2.280 -3.813
22 HD3 ARG 13 HD1 ARG 13 1.797 -3.650 -3.193
23 HE ARG 13 HE ARG 13 4.672 -3.410 -2.617
24 HH11 ARG 13 HH11 ARG 13 1.334 -3.588 -1.501
25 HH12 ARG 13 HH12 ARG 13 1.781 -3.636 0.170
26 HH21 ARG 13 HH21 ARG 13 5.241 -3.462 -0.417
27 HH22 ARG 13 HH22 ARG 13 4.006 -3.553 0.789
28 H SER 14 HN SER 14 2.773 -4.341 -8.712
29 HA SER 14 HA SER 14 0.630 -3.235 -10.350
30 HB2 SER 14 HB2 SER 14 2.958 -3.115 -11.263
31 HB3 SER 14 HB1 SER 14 3.011 -4.876 -11.255
32 HG SER 14 HG SER 14 2.092 -4.786 -13.106
33 HA PRO 15 HA PRO 15 -0.752 -3.451 -11.497
34 HB2 PRO 15 HB2 PRO 15 -3.173 -4.175 -12.304
35 HB3 PRO 15 HB1 PRO 15 -1.730 -4.784 -13.122
36 HG2 PRO 15 HG2 PRO 15 -3.582 -6.186 -11.274
37 HG3 PRO 15 HG1 PRO 15 -2.598 -6.841 -12.593
38 HD2 PRO 15 HD2 PRO 15 -1.992 -6.829 -9.790
39 HD3 PRO 15 HD1 PRO 15 -0.971 -7.420 -11.116
40 H CYS 16 HN CYS 16 -1.536 -4.825 -8.648
41 HA CYS 16 HA CYS 16 -3.779 -2.971 -8.106
42 HB2 CYS 16 HB2 CYS 16 -3.299 -5.201 -6.143
43 HB3 CYS 16 HB1 CYS 16 -4.774 -4.428 -6.651
44 HA PRO 17 HA PRO 17 -4.458 -1.497 -7.345
45 HB2 PRO 17 HB2 PRO 17 -4.165 1.075 -6.201
46 HB3 PRO 17 HB1 PRO 17 -5.177 -0.230 -5.582
47 HG2 PRO 17 HG2 PRO 17 -2.939 0.818 -4.288
48 HG3 PRO 17 HG1 PRO 17 -3.695 -0.710 -3.925
49 HD2 PRO 17 HD2 PRO 17 -1.300 -0.154 -5.620
50 HD3 PRO 17 HD1 PRO 17 -1.583 -1.492 -4.479
51 HA PRO 18 HA PRO 18 -5.697 0.298 -7.821
52 HB2 PRO 18 HB2 PRO 18 -6.703 2.232 -9.289
53 HB3 PRO 18 HB1 PRO 18 -5.551 2.628 -8.005
54 HG2 PRO 18 HG2 PRO 18 -5.141 2.574 -10.957
55 HG3 PRO 18 HG1 PRO 18 -4.372 3.607 -9.744
56 HD2 PRO 18 HD2 PRO 18 -3.358 1.169 -10.881
57 HD3 PRO 18 HD1 PRO 18 -2.609 2.170 -9.619
58 H PHE 19 HN PHE 19 -4.268 -0.761 -10.609
59 HA PHE 19 HA PHE 19 -6.669 -1.002 -12.244
60 HB2 PHE 19 HB2 PHE 19 -3.834 -1.897 -12.809
61 HB3 PHE 19 HB1 PHE 19 -5.162 -1.889 -13.961
62 HD1 PHE 19 HD1 PHE 19 -2.376 -0.126 -12.804
63 HD2 PHE 19 HD2 PHE 19 -6.330 0.463 -14.256
64 HE1 PHE 19 HE1 PHE 19 -1.800 2.181 -13.435
65 HE2 PHE 19 HE2 PHE 19 -5.760 2.767 -14.889
66 HZ PHE 19 HZ PHE 19 -3.493 3.630 -14.477
67 H CYS 20 HN CYS 20 -6.921 -2.419 -9.911
68 HA CYS 20 HA CYS 20 -6.287 -5.192 -10.570
69 HB2 CYS 20 HB2 CYS 20 -5.984 -3.973 -8.249
70 HB3 CYS 20 HB1 CYS 20 -7.674 -4.423 -8.049
71 HN1 NH2 21 H1 CYS 20 -7.800 -5.431 -12.233
72 HN2 NH2 21 H2 CYS 20 -9.493 -5.580 -11.921
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