NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6190 |
1im1   |
4420 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 2HN GLY 1 4.561 8.291 3.476
2 2H GLY 1 3HN GLY 1 4.168 8.963 4.932
3 3H GLY 1 1HN GLY 1 4.896 7.476 4.861
4 1HA GLY 1 1HA GLY 1 2.603 7.181 5.347
5 2HA GLY 1 2HA GLY 1 2.202 8.132 3.901
6 QA GLY 1 QA GLY 1 2.403 7.657 4.624
7 H CYS 2 H CYS 2 1.330 5.411 4.339
8 HA CYS 2 HA CYS 2 3.060 3.435 3.567
9 1HB CYS 2 1HB CYS 2 0.250 3.717 4.124
10 2HB CYS 2 2HB CYS 2 0.426 2.770 2.677
11 QB CYS 2 QB CYS 2 0.338 3.243 3.401
12 H CYS 3 H CYS 3 1.298 5.620 1.366
13 HA CYS 3 HA CYS 3 1.239 3.954 -0.844
14 1HB CYS 3 1HB CYS 3 1.702 6.935 -1.004
15 2HB CYS 3 2HB CYS 3 0.867 5.893 -2.145
16 QB CYS 3 QB CYS 3 1.285 6.414 -1.574
17 H SER 4 H SER 4 4.099 5.583 0.442
18 HA SER 4 HA SER 4 5.631 5.436 -2.003
19 1HB SER 4 1HB SER 4 6.350 5.679 0.948
20 2HB SER 4 2HB SER 4 7.569 5.603 -0.339
21 HG SER 4 HG SER 4 6.627 7.321 -1.348
22 QB SER 4 QB SER 4 6.960 5.641 0.304
23 H ASP 5 H ASP 5 4.799 3.079 0.494
24 HA ASP 5 HA ASP 5 6.888 1.169 -0.303
25 1HB ASP 5 1HB ASP 5 6.330 1.235 2.061
26 2HB ASP 5 2HB ASP 5 4.602 1.099 1.713
27 QB ASP 5 QB ASP 5 5.466 1.167 1.887
28 HA PRO 6 HA PRO 6 3.802 0.108 -3.447
29 1HB PRO 6 1HB PRO 6 5.105 -1.886 -4.775
30 2HB PRO 6 2HB PRO 6 5.528 -0.161 -4.968
31 1HG PRO 6 1HG PRO 6 6.818 -2.186 -3.126
32 2HG PRO 6 2HG PRO 6 7.639 -1.088 -4.273
33 1HD PRO 6 1HD PRO 6 7.403 -0.480 -1.640
34 2HD PRO 6 2HD PRO 6 7.218 0.802 -2.867
35 QB PRO 6 QB PRO 6 5.317 -1.024 -4.872
36 QG PRO 6 QG PRO 6 7.228 -1.637 -3.699
37 QD PRO 6 QD PRO 6 7.311 0.161 -2.254
38 H ARG 7 H ARG 7 5.130 -1.911 -0.973
39 HA ARG 7 HA ARG 7 3.208 -4.096 -1.289
40 1HB ARG 7 1HB ARG 7 5.730 -3.830 -0.120
41 2HB ARG 7 2HB ARG 7 4.630 -3.803 1.258
42 1HG ARG 7 1HG ARG 7 3.661 -5.970 0.482
43 2HG ARG 7 2HG ARG 7 4.804 -5.979 -0.867
44 1HD ARG 7 1HD ARG 7 5.654 -5.810 2.038
45 2HD ARG 7 2HD ARG 7 5.492 -7.344 1.174
46 HE ARG 7 HE ARG 7 7.124 -6.075 -0.499
47 1HH1 ARG 7 2HH1 ARG 7 9.395 -5.981 -0.438
48 2HH1 ARG 7 1HH1 ARG 7 10.241 -5.791 1.062
49 1HH2 ARG 7 2HH2 ARG 7 7.354 -6.324 3.064
50 2HH2 ARG 7 1HH2 ARG 7 9.094 -6.270 3.063
51 QB ARG 7 QB ARG 7 5.180 -3.817 0.569
52 QG ARG 7 QG ARG 7 4.233 -5.975 -0.192
53 QD ARG 7 QD ARG 7 5.573 -6.577 1.606
54 QH1 ARG 7 QH1 ARG 7 9.818 -5.886 0.312
55 QH2 ARG 7 QH2 ARG 7 8.224 -6.297 3.064
56 H CYS 8 H CYS 8 2.949 -0.956 -0.280
57 HA CYS 8 HA CYS 8 0.487 -1.466 1.202
58 1HB CYS 8 1HB CYS 8 2.649 -0.620 2.566
59 2HB CYS 8 2HB CYS 8 2.154 0.922 1.892
60 QB CYS 8 QB CYS 8 2.401 0.151 2.229
61 H ALA 9 H ALA 9 1.082 -0.892 -1.589
62 HA ALA 9 HA ALA 9 0.289 1.924 -2.005
63 1HB ALA 9 2HB ALA 9 0.745 -0.329 -3.998
64 2HB ALA 9 3HB ALA 9 0.371 1.364 -4.391
65 3HB ALA 9 1HB ALA 9 1.878 0.980 -3.557
66 QB ALA 9 QB ALA 9 0.998 0.671 -3.982
67 H TRP 10 H TRP 10 -1.409 -1.203 -1.678
68 HA TRP 10 HA TRP 10 -3.644 -0.630 -3.183
69 1HB TRP 10 1HB TRP 10 -4.557 -2.412 -2.024
70 2HB TRP 10 2HB TRP 10 -2.870 -2.779 -2.107
71 HD1 TRP 10 HD TRP 10 -1.564 -1.874 0.388
72 HE1 TRP 10 1HE TRP 10 -2.285 -2.556 2.755
73 HE3 TRP 10 3HE TRP 10 -6.479 -2.873 -0.537
74 HZ2 TRP 10 2HZ TRP 10 -4.597 -3.802 3.972
75 HZ3 TRP 10 3HZ TRP 10 -7.930 -3.793 1.243
76 HH2 TRP 10 HH TRP 10 -6.998 -4.286 3.492
77 QB TRP 10 QB TRP 10 -3.713 -2.596 -2.066
78 H ARG 11 H ARG 11 -5.694 0.068 -2.590
79 HA ARG 11 HA ARG 11 -7.083 1.763 -2.174
80 1HB ARG 11 1HB ARG 11 -6.058 1.604 0.698
81 2HB ARG 11 2HB ARG 11 -7.522 2.411 0.168
82 1HG ARG 11 1HG ARG 11 -7.057 -0.586 0.009
83 2HG ARG 11 2HG ARG 11 -7.975 0.276 1.257
84 1HD ARG 11 1HD ARG 11 -9.427 1.224 -0.613
85 2HD ARG 11 2HD ARG 11 -8.626 0.104 -1.711
86 HE ARG 11 HE ARG 11 -9.600 -1.720 -0.662
87 1HH1 ARG 11 2HH1 ARG 11 -11.394 -2.690 0.404
88 2HH1 ARG 11 1HH1 ARG 11 -12.577 -1.676 1.182
89 1HH2 ARG 11 2HH2 ARG 11 -10.677 1.291 0.881
90 2HH2 ARG 11 1HH2 ARG 11 -12.110 0.628 1.556
91 QB ARG 11 QB ARG 11 -6.790 2.008 0.433
92 QG ARG 11 QG ARG 11 -7.516 -0.155 0.633
93 QD ARG 11 QD ARG 11 -9.026 0.664 -1.162
94 QH1 ARG 11 QH1 ARG 11 -11.985 -2.183 0.793
95 QH2 ARG 11 QH2 ARG 11 -11.393 0.960 1.219
96 H CYS 12 H CYS 12 -3.789 2.402 -1.497
97 HA CYS 12 HA CYS 12 -3.921 4.882 -0.277
98 1HB CYS 12 2HB CYS 12 -2.024 2.970 -0.910
99 2HB CYS 12 3HB CYS 12 -1.541 4.285 -1.968
100 QB CYS 12 QB CYS 12 -1.782 3.628 -1.439
No H/Q in entry = 100
Start of MODEL 2
1 1H GLY 1 1HN GLY 1 4.509 8.367 3.298
2 2H GLY 1 2HN GLY 1 3.130 8.942 2.595
3 3H GLY 1 3HN GLY 1 3.562 9.449 4.108
4 1HA GLY 1 1HA GLY 1 3.153 7.374 5.065
5 2HA GLY 1 2HA GLY 1 1.742 7.839 4.102
6 QA GLY 1 QA GLY 1 2.448 7.607 4.583
7 H CYS 2 H CYS 2 1.394 5.470 4.238
8 HA CYS 2 HA CYS 2 3.139 3.473 3.512
9 1HB CYS 2 1HB CYS 2 0.391 3.700 4.245
10 2HB CYS 2 2HB CYS 2 0.406 2.811 2.739
11 QB CYS 2 QB CYS 2 0.398 3.256 3.492
12 H CYS 3 H CYS 3 1.174 5.422 1.226
13 HA CYS 3 HA CYS 3 1.169 3.641 -0.867
14 1HB CYS 3 1HB CYS 3 1.478 6.591 -1.252
15 2HB CYS 3 2HB CYS 3 0.427 5.473 -2.115
16 QB CYS 3 QB CYS 3 0.952 6.032 -1.683
17 H SER 4 H SER 4 3.832 5.463 0.362
18 HA SER 4 HA SER 4 5.589 5.596 -1.909
19 1HB SER 4 1HB SER 4 5.750 7.043 0.067
20 2HB SER 4 2HB SER 4 5.910 5.634 1.120
21 HG SER 4 HG SER 4 7.767 6.643 -0.760
22 QB SER 4 QB SER 4 5.830 6.339 0.594
23 H ASP 5 H ASP 5 4.736 3.066 0.467
24 HA ASP 5 HA ASP 5 7.074 1.405 -0.123
25 1HB ASP 5 1HB ASP 5 6.307 1.471 2.182
26 2HB ASP 5 2HB ASP 5 4.655 1.055 1.714
27 QB ASP 5 QB ASP 5 5.481 1.263 1.948
28 HA PRO 6 HA PRO 6 4.726 -0.097 -3.472
29 1HB PRO 6 1HB PRO 6 6.116 -2.298 -4.342
30 2HB PRO 6 2HB PRO 6 6.708 -0.621 -4.516
31 1HG PRO 6 1HG PRO 6 7.404 -2.619 -2.347
32 2HG PRO 6 2HG PRO 6 8.504 -1.569 -3.302
33 1HD PRO 6 1HD PRO 6 7.649 -0.910 -0.793
34 2HD PRO 6 2HD PRO 6 7.934 0.331 -2.038
35 QB PRO 6 QB PRO 6 6.412 -1.460 -4.429
36 QG PRO 6 QG PRO 6 7.954 -2.094 -2.825
37 QD PRO 6 QD PRO 6 7.791 -0.289 -1.415
38 H ARG 7 H ARG 7 4.954 -1.995 -0.587
39 HA ARG 7 HA ARG 7 2.997 -3.980 -1.512
40 1HB ARG 7 1HB ARG 7 5.233 -4.433 -0.246
41 2HB ARG 7 2HB ARG 7 4.292 -3.889 1.136
42 1HG ARG 7 1HG ARG 7 3.359 -5.888 1.344
43 2HG ARG 7 2HG ARG 7 2.624 -5.730 -0.242
44 1HD ARG 7 1HD ARG 7 3.801 -7.738 -0.396
45 2HD ARG 7 2HD ARG 7 4.856 -6.566 -1.209
46 HE ARG 7 HE ARG 7 5.397 -6.858 1.635
47 1HH1 ARG 7 2HH1 ARG 7 7.226 -7.877 2.337
48 2HH1 ARG 7 1HH1 ARG 7 8.152 -8.975 1.356
49 1HH2 ARG 7 2HH2 ARG 7 6.049 -8.390 -1.510
50 2HH2 ARG 7 1HH2 ARG 7 7.383 -9.337 -0.921
51 QB ARG 7 QB ARG 7 4.763 -4.161 0.445
52 QG ARG 7 QG ARG 7 2.992 -5.809 0.551
53 QD ARG 7 QD ARG 7 4.329 -7.152 -0.803
54 QH1 ARG 7 QH1 ARG 7 7.689 -8.426 1.847
55 QH2 ARG 7 QH2 ARG 7 6.716 -8.864 -1.215
56 H CYS 8 H CYS 8 2.964 -0.918 -0.313
57 HA CYS 8 HA CYS 8 0.344 -1.294 1.022
58 1HB CYS 8 1HB CYS 8 2.565 -0.656 2.386
59 2HB CYS 8 2HB CYS 8 2.160 0.931 1.801
60 QB CYS 8 QB CYS 8 2.363 0.137 2.094
61 H ALA 9 H ALA 9 0.897 -0.706 -1.763
62 HA ALA 9 HA ALA 9 0.092 2.119 -2.155
63 1HB ALA 9 1HB ALA 9 1.597 1.085 -3.780
64 2HB ALA 9 2HB ALA 9 0.403 -0.185 -4.130
65 3HB ALA 9 3HB ALA 9 0.056 1.511 -4.543
66 QB ALA 9 QB ALA 9 0.685 0.804 -4.151
67 H TRP 10 H TRP 10 -1.440 -1.096 -1.735
68 HA TRP 10 HA TRP 10 -3.770 -0.613 -3.117
69 1HB TRP 10 1HB TRP 10 -4.469 -2.514 -2.267
70 2HB TRP 10 2HB TRP 10 -2.815 -2.709 -1.867
71 HD1 TRP 10 HD TRP 10 -2.177 -2.434 0.805
72 HE1 TRP 10 1HE TRP 10 -3.580 -2.748 2.926
73 HE3 TRP 10 3HE TRP 10 -6.846 -2.143 -1.265
74 HZ2 TRP 10 2HZ TRP 10 -6.376 -3.090 3.601
75 HZ3 TRP 10 3HZ TRP 10 -8.861 -2.537 0.123
76 HH2 TRP 10 HH TRP 10 -8.642 -3.054 2.541
77 QB TRP 10 QB TRP 10 -3.642 -2.611 -2.067
78 H ARG 11 H ARG 11 -5.696 0.143 -2.615
79 HA ARG 11 HA ARG 11 -7.060 1.884 -2.119
80 1HB ARG 11 1HB ARG 11 -7.593 0.195 -0.454
81 2HB ARG 11 2HB ARG 11 -6.410 0.846 0.663
82 1HG ARG 11 1HG ARG 11 -8.655 1.287 1.341
83 2HG ARG 11 2HG ARG 11 -7.811 2.788 1.093
84 1HD ARG 11 1HD ARG 11 -9.750 1.519 -0.895
85 2HD ARG 11 2HD ARG 11 -10.199 2.753 0.270
86 HE ARG 11 HE ARG 11 -8.191 4.009 -0.926
87 1HH1 ARG 11 2HH1 ARG 11 -7.970 5.077 -2.911
88 2HH1 ARG 11 1HH1 ARG 11 -8.974 4.649 -4.262
89 1HH2 ARG 11 2HH2 ARG 11 -10.897 2.270 -2.455
90 2HH2 ARG 11 1HH2 ARG 11 -10.625 2.928 -4.017
91 QB ARG 11 QB ARG 11 -7.002 0.521 0.104
92 QG ARG 11 QG ARG 11 -8.233 2.038 1.217
93 QD ARG 11 QD ARG 11 -9.975 2.136 -0.312
94 QH1 ARG 11 QH1 ARG 11 -8.472 4.863 -3.586
95 QH2 ARG 11 QH2 ARG 11 -10.761 2.599 -3.236
96 H CYS 12 H CYS 12 -3.905 2.583 -1.905
97 HA CYS 12 HA CYS 12 -4.022 4.744 0.047
98 1HB CYS 12 2HB CYS 12 -2.239 2.820 -0.365
99 2HB CYS 12 3HB CYS 12 -1.585 3.968 -1.528
100 QB CYS 12 QB CYS 12 -1.912 3.394 -0.946
No H/Q in entry = 100
Start of MODEL 3
1 1H GLY 1 2HN GLY 1 4.803 6.563 5.138
2 2H GLY 1 3HN GLY 1 5.140 7.366 3.749
3 3H GLY 1 1HN GLY 1 4.431 8.166 5.011
4 1HA GLY 1 1HA GLY 1 2.468 6.840 4.809
5 2HA GLY 1 2HA GLY 1 2.809 7.668 3.286
6 QA GLY 1 QA GLY 1 2.639 7.254 4.047
7 H CYS 2 H CYS 2 1.347 5.216 3.816
8 HA CYS 2 HA CYS 2 2.854 2.913 2.948
9 1HB CYS 2 1HB CYS 2 0.087 3.665 3.741
10 2HB CYS 2 2HB CYS 2 0.175 2.499 2.468
11 QB CYS 2 QB CYS 2 0.131 3.082 3.104
12 H CYS 3 H CYS 3 1.194 5.627 1.328
13 HA CYS 3 HA CYS 3 0.914 4.469 -1.243
14 1HB CYS 3 1HB CYS 3 1.669 7.283 -0.404
15 2HB CYS 3 2HB CYS 3 1.231 6.832 -2.044
16 QB CYS 3 QB CYS 3 1.450 7.057 -1.224
17 H SER 4 H SER 4 3.890 5.431 0.456
18 HA SER 4 HA SER 4 5.546 5.531 -1.954
19 1HB SER 4 1HB SER 4 6.289 5.218 0.987
20 2HB SER 4 2HB SER 4 7.402 5.565 -0.345
21 HG SER 4 HG SER 4 5.184 7.206 0.433
22 QB SER 4 QB SER 4 6.846 5.391 0.321
23 H ASP 5 H ASP 5 4.919 3.210 0.673
24 HA ASP 5 HA ASP 5 6.841 1.247 -0.093
25 1HB ASP 5 1HB ASP 5 6.072 1.607 2.198
26 2HB ASP 5 2HB ASP 5 4.407 1.241 1.740
27 QB ASP 5 QB ASP 5 5.240 1.424 1.969
28 HA PRO 6 HA PRO 6 4.086 0.002 -3.418
29 1HB PRO 6 1HB PRO 6 5.406 -2.147 -4.496
30 2HB PRO 6 2HB PRO 6 5.958 -0.457 -4.680
31 1HG PRO 6 1HG PRO 6 6.927 -2.509 -2.686
32 2HG PRO 6 2HG PRO 6 7.903 -1.424 -3.726
33 1HD PRO 6 1HD PRO 6 7.332 -0.841 -1.103
34 2HD PRO 6 2HD PRO 6 7.454 0.446 -2.334
35 QB PRO 6 QB PRO 6 5.682 -1.302 -4.588
36 QG PRO 6 QG PRO 6 7.415 -1.966 -3.206
37 QD PRO 6 QD PRO 6 7.393 -0.197 -1.718
38 H ARG 7 H ARG 7 5.129 -2.145 -0.914
39 HA ARG 7 HA ARG 7 3.112 -4.170 -1.299
40 1HB ARG 7 1HB ARG 7 5.493 -4.333 -0.298
41 2HB ARG 7 2HB ARG 7 4.700 -3.764 1.155
42 1HG ARG 7 1HG ARG 7 3.329 -6.064 -0.109
43 2HG ARG 7 2HG ARG 7 5.011 -6.396 0.293
44 1HD ARG 7 1HD ARG 7 2.943 -5.358 2.262
45 2HD ARG 7 2HD ARG 7 3.454 -7.046 2.076
46 HE ARG 7 HE ARG 7 5.717 -5.309 2.494
47 1HH1 ARG 7 2HH1 ARG 7 6.803 -5.338 4.562
48 2HH1 ARG 7 1HH1 ARG 7 6.017 -6.036 5.932
49 1HH2 ARG 7 2HH2 ARG 7 3.088 -6.995 4.171
50 2HH2 ARG 7 1HH2 ARG 7 3.965 -7.188 5.659
51 QB ARG 7 QB ARG 7 5.096 -4.049 0.428
52 QG ARG 7 QG ARG 7 4.170 -6.230 0.092
53 QD ARG 7 QD ARG 7 3.198 -6.202 2.169
54 QH1 ARG 7 QH1 ARG 7 6.410 -5.687 5.247
55 QH2 ARG 7 QH2 ARG 7 3.526 -7.092 4.915
56 H CYS 8 H CYS 8 2.984 -1.055 -0.155
57 HA CYS 8 HA CYS 8 0.399 -1.533 1.123
58 1HB CYS 8 1HB CYS 8 2.544 -0.796 2.593
59 2HB CYS 8 2HB CYS 8 2.111 0.782 1.981
60 QB CYS 8 QB CYS 8 2.327 -0.007 2.287
61 H ALA 9 H ALA 9 1.451 -0.532 -1.419
62 HA ALA 9 HA ALA 9 0.357 2.183 -1.718
63 1HB ALA 9 2HB ALA 9 1.216 0.185 -3.851
64 2HB ALA 9 3HB ALA 9 0.804 1.893 -4.140
65 3HB ALA 9 1HB ALA 9 2.214 1.480 -3.137
66 QB ALA 9 QB ALA 9 1.411 1.186 -3.709
67 H TRP 10 H TRP 10 -1.119 -0.962 -1.685
68 HA TRP 10 HA TRP 10 -3.350 -0.435 -3.291
69 1HB TRP 10 1HB TRP 10 -4.081 -2.363 -2.526
70 2HB TRP 10 2HB TRP 10 -2.493 -2.533 -1.898
71 HD1 TRP 10 HD TRP 10 -2.519 -1.236 0.865
72 HE1 TRP 10 1HE TRP 10 -4.282 -1.521 2.684
73 HE3 TRP 10 3HE TRP 10 -6.202 -3.473 -1.908
74 HZ2 TRP 10 2HZ TRP 10 -6.922 -2.633 2.947
75 HZ3 TRP 10 3HZ TRP 10 -8.357 -4.087 -0.846
76 HH2 TRP 10 HH TRP 10 -8.734 -3.667 1.562
77 QB TRP 10 QB TRP 10 -3.287 -2.448 -2.212
78 H ARG 11 H ARG 11 -5.333 0.341 -2.723
79 HA ARG 11 HA ARG 11 -6.768 1.999 -1.906
80 1HB ARG 11 1HB ARG 11 -6.822 -0.165 -0.478
81 2HB ARG 11 2HB ARG 11 -5.997 0.761 0.750
82 1HG ARG 11 1HG ARG 11 -8.072 2.380 0.588
83 2HG ARG 11 2HG ARG 11 -8.796 1.095 -0.389
84 1HD ARG 11 1HD ARG 11 -7.827 -0.327 1.789
85 2HD ARG 11 2HD ARG 11 -8.222 1.222 2.538
86 HE ARG 11 HE ARG 11 -10.344 0.141 0.847
87 1HH1 ARG 11 2HH1 ARG 11 -12.146 -0.923 1.741
88 2HH1 ARG 11 1HH1 ARG 11 -12.298 -1.127 3.455
89 1HH2 ARG 11 2HH2 ARG 11 -9.130 0.304 4.155
90 2HH2 ARG 11 1HH2 ARG 11 -10.425 -0.630 4.844
91 QB ARG 11 QB ARG 11 -6.410 0.298 0.136
92 QG ARG 11 QG ARG 11 -8.434 1.738 0.099
93 QD ARG 11 QD ARG 11 -8.025 0.447 2.163
94 QH1 ARG 11 QH1 ARG 11 -12.222 -1.025 2.598
95 QH2 ARG 11 QH2 ARG 11 -9.777 -0.163 4.500
96 H CYS 12 H CYS 12 -3.873 2.868 -2.058
97 HA CYS 12 HA CYS 12 -2.952 4.448 -0.009
98 1HB CYS 12 2HB CYS 12 -1.491 4.075 -1.791
99 2HB CYS 12 3HB CYS 12 -2.707 4.425 -3.005
100 QB CYS 12 QB CYS 12 -2.099 4.250 -2.398
No H/Q in entry = 100
Start of MODEL 4
1 1H GLY 1 2HN GLY 1 6.090 7.194 4.224
2 2H GLY 1 3HN GLY 1 6.070 7.336 2.579
3 3H GLY 1 1HN GLY 1 5.659 8.625 3.506
4 1HA GLY 1 1HA GLY 1 3.714 7.527 4.317
5 2HA GLY 1 2HA GLY 1 3.741 7.651 2.548
6 QA GLY 1 QA GLY 1 3.728 7.589 3.433
7 H CYS 2 H CYS 2 2.151 5.682 3.929
8 HA CYS 2 HA CYS 2 3.474 3.112 3.680
9 1HB CYS 2 1HB CYS 2 0.879 3.988 4.514
10 2HB CYS 2 2HB CYS 2 0.637 2.943 3.132
11 QB CYS 2 QB CYS 2 0.758 3.466 3.823
12 H CYS 3 H CYS 3 1.314 5.080 1.469
13 HA CYS 3 HA CYS 3 1.463 3.250 -0.617
14 1HB CYS 3 1HB CYS 3 1.342 6.226 -1.033
15 2HB CYS 3 2HB CYS 3 0.557 4.955 -1.975
16 QB CYS 3 QB CYS 3 0.950 5.590 -1.504
17 H SER 4 H SER 4 4.007 5.335 0.465
18 HA SER 4 HA SER 4 5.509 5.545 -1.969
19 1HB SER 4 1HB SER 4 6.767 5.607 0.752
20 2HB SER 4 2HB SER 4 7.030 6.650 -0.649
21 HG SER 4 HG SER 4 4.991 7.610 -0.221
22 QB SER 4 QB SER 4 6.898 6.128 0.051
23 H ASP 5 H ASP 5 4.956 2.986 0.352
24 HA ASP 5 HA ASP 5 7.074 1.251 -0.774
25 1HB ASP 5 1HB ASP 5 7.000 1.018 1.612
26 2HB ASP 5 2HB ASP 5 5.231 1.089 1.644
27 QB ASP 5 QB ASP 5 6.115 1.054 1.628
28 HA PRO 6 HA PRO 6 3.541 0.441 -3.421
29 1HB PRO 6 1HB PRO 6 4.494 -1.704 -4.887
30 2HB PRO 6 2HB PRO 6 4.910 0.005 -5.210
31 1HG PRO 6 1HG PRO 6 6.495 -2.033 -3.629
32 2HG PRO 6 2HG PRO 6 7.089 -0.882 -4.869
33 1HD PRO 6 1HD PRO 6 7.319 -0.366 -2.222
34 2HD PRO 6 2HD PRO 6 6.939 0.949 -3.364
35 QB PRO 6 QB PRO 6 4.702 -0.849 -5.048
36 QG PRO 6 QG PRO 6 6.792 -1.457 -4.249
37 QD PRO 6 QD PRO 6 7.129 0.292 -2.793
38 H ARG 7 H ARG 7 4.945 -1.845 -1.217
39 HA ARG 7 HA ARG 7 2.766 -3.742 -1.405
40 1HB ARG 7 1HB ARG 7 5.326 -4.052 -0.800
41 2HB ARG 7 2HB ARG 7 4.712 -3.658 0.802
42 1HG ARG 7 1HG ARG 7 4.550 -5.875 0.929
43 2HG ARG 7 2HG ARG 7 2.961 -5.585 0.225
44 1HD ARG 7 1HD ARG 7 5.510 -6.507 -1.180
45 2HD ARG 7 2HD ARG 7 4.068 -7.480 -0.862
46 HE ARG 7 HE ARG 7 3.095 -5.431 -2.387
47 1HH1 ARG 7 2HH1 ARG 7 3.038 -5.268 -4.653
48 2HH1 ARG 7 1HH1 ARG 7 3.956 -6.333 -5.650
49 1HH2 ARG 7 2HH2 ARG 7 5.689 -7.879 -2.947
50 2HH2 ARG 7 1HH2 ARG 7 5.578 -7.737 -4.652
51 QB ARG 7 QB ARG 7 5.019 -3.855 0.001
52 QG ARG 7 QG ARG 7 3.756 -5.730 0.577
53 QD ARG 7 QD ARG 7 4.789 -6.994 -1.021
54 QH1 ARG 7 QH1 ARG 7 3.497 -5.801 -5.151
55 QH2 ARG 7 QH2 ARG 7 5.634 -7.808 -3.799
56 H CYS 8 H CYS 8 3.027 -0.738 -0.017
57 HA CYS 8 HA CYS 8 0.585 -1.198 1.555
58 1HB CYS 8 1HB CYS 8 2.811 -0.638 2.849
59 2HB CYS 8 2HB CYS 8 2.437 0.995 2.349
60 QB CYS 8 QB CYS 8 2.624 0.179 2.599
61 H ALA 9 H ALA 9 0.879 -0.529 -1.244
62 HA ALA 9 HA ALA 9 -0.286 2.213 -1.352
63 1HB ALA 9 3HB ALA 9 1.743 1.827 -2.731
64 2HB ALA 9 1HB ALA 9 0.873 0.536 -3.596
65 3HB ALA 9 2HB ALA 9 0.311 2.219 -3.704
66 QB ALA 9 QB ALA 9 0.976 1.527 -3.343
67 H TRP 10 H TRP 10 -1.403 -0.940 -1.058
68 HA TRP 10 HA TRP 10 -3.522 -1.189 -2.768
69 1HB TRP 10 1HB TRP 10 -4.380 -2.550 -1.037
70 2HB TRP 10 2HB TRP 10 -2.666 -2.780 -1.058
71 HD1 TRP 10 HD TRP 10 -1.362 -2.191 1.135
72 HE1 TRP 10 1HE TRP 10 -2.026 -1.455 3.519
73 HE3 TRP 10 3HE TRP 10 -6.246 -1.182 0.279
74 HZ2 TRP 10 2HZ TRP 10 -4.402 -0.439 4.841
75 HZ3 TRP 10 3HZ TRP 10 -7.712 -0.301 2.079
76 HH2 TRP 10 HH TRP 10 -6.786 0.083 4.373
77 QB TRP 10 QB TRP 10 -3.523 -2.665 -1.048
78 H ARG 11 H ARG 11 -5.615 -0.501 -2.750
79 HA ARG 11 HA ARG 11 -7.065 1.120 -3.158
80 1HB ARG 11 1HB ARG 11 -7.706 0.420 -0.889
81 2HB ARG 11 2HB ARG 11 -6.708 1.686 -0.187
82 1HG ARG 11 1HG ARG 11 -8.138 3.404 -1.113
83 2HG ARG 11 2HG ARG 11 -9.085 2.207 -2.021
84 1HD ARG 11 1HD ARG 11 -8.805 2.262 1.008
85 2HD ARG 11 2HD ARG 11 -10.083 3.118 0.172
86 HE ARG 11 HE ARG 11 -9.877 0.255 0.667
87 1HH1 ARG 11 2HH1 ARG 11 -11.672 -0.970 0.321
88 2HH1 ARG 11 1HH1 ARG 11 -12.985 -0.447 -0.696
89 1HH2 ARG 11 2HH2 ARG 11 -11.414 2.686 -1.421
90 2HH2 ARG 11 1HH2 ARG 11 -12.821 1.755 -1.748
91 QB ARG 11 QB ARG 11 -7.207 1.053 -0.538
92 QG ARG 11 QG ARG 11 -8.612 2.806 -1.567
93 QD ARG 11 QD ARG 11 -9.444 2.690 0.590
94 QH1 ARG 11 QH1 ARG 11 -12.328 -0.709 -0.188
95 QH2 ARG 11 QH2 ARG 11 -12.118 2.221 -1.584
96 H CYS 12 H CYS 12 -3.950 2.249 -2.309
97 HA CYS 12 HA CYS 12 -4.624 5.088 -2.318
98 1HB CYS 12 2HB CYS 12 -3.005 3.854 -0.757
99 2HB CYS 12 3HB CYS 12 -1.919 3.742 -2.142
100 QB CYS 12 QB CYS 12 -2.462 3.798 -1.449
No H/Q in entry = 100
Start of MODEL 5
1 1H GLY 1 3HN GLY 1 5.469 7.392 3.263
2 2H GLY 1 1HN GLY 1 4.268 8.089 2.404
3 3H GLY 1 2HN GLY 1 4.752 8.751 3.841
4 1HA GLY 1 1HA GLY 1 4.009 6.820 5.038
5 2HA GLY 1 2HA GLY 1 2.671 7.561 4.123
6 QA GLY 1 QA GLY 1 3.340 7.190 4.581
7 H CYS 2 H CYS 2 2.323 5.025 4.803
8 HA CYS 2 HA CYS 2 3.306 2.863 3.504
9 1HB CYS 2 1HB CYS 2 1.125 3.449 5.098
10 2HB CYS 2 2HB CYS 2 0.329 2.896 3.638
11 QB CYS 2 QB CYS 2 0.727 3.173 4.368
12 H CYS 3 H CYS 3 0.687 4.933 2.170
13 HA CYS 3 HA CYS 3 0.068 3.961 -0.239
14 1HB CYS 3 1HB CYS 3 0.982 6.807 0.359
15 2HB CYS 3 2HB CYS 3 0.138 6.337 -1.106
16 QB CYS 3 QB CYS 3 0.560 6.572 -0.373
17 H SER 4 H SER 4 3.350 5.162 0.414
18 HA SER 4 HA SER 4 3.974 5.435 -2.450
19 1HB SER 4 1HB SER 4 4.407 7.264 -0.898
20 2HB SER 4 2HB SER 4 5.338 6.193 0.150
21 HG SER 4 HG SER 4 6.960 6.186 -1.198
22 QB SER 4 QB SER 4 4.872 6.729 -0.374
23 H ASP 5 H ASP 5 4.025 2.786 -0.325
24 HA ASP 5 HA ASP 5 6.732 1.871 -1.228
25 1HB ASP 5 1HB ASP 5 6.514 2.189 1.186
26 2HB ASP 5 2HB ASP 5 5.054 1.176 1.204
27 QB ASP 5 QB ASP 5 5.784 1.683 1.195
28 HA PRO 6 HA PRO 6 4.482 -1.052 -3.607
29 1HB PRO 6 1HB PRO 6 6.324 -3.041 -4.142
30 2HB PRO 6 2HB PRO 6 6.374 -1.402 -4.856
31 1HG PRO 6 1HG PRO 6 7.829 -2.382 -2.373
32 2HG PRO 6 2HG PRO 6 8.526 -1.558 -3.804
33 1HD PRO 6 1HD PRO 6 7.892 -0.141 -1.611
34 2HD PRO 6 2HD PRO 6 7.462 0.513 -3.215
35 QB PRO 6 QB PRO 6 6.349 -2.222 -4.499
36 QG PRO 6 QG PRO 6 8.177 -1.970 -3.089
37 QD PRO 6 QD PRO 6 7.677 0.186 -2.413
38 H ARG 7 H ARG 7 5.242 -1.924 -0.346
39 HA ARG 7 HA ARG 7 3.555 -4.343 -0.572
40 1HB ARG 7 1HB ARG 7 5.781 -3.553 1.116
41 2HB ARG 7 2HB ARG 7 4.344 -3.594 2.113
42 1HG ARG 7 1HG ARG 7 5.203 -5.709 2.302
43 2HG ARG 7 2HG ARG 7 3.885 -5.890 1.132
44 1HD ARG 7 1HD ARG 7 6.877 -5.738 0.529
45 2HD ARG 7 2HD ARG 7 5.894 -7.201 0.501
46 HE ARG 7 HE ARG 7 5.482 -4.849 -1.290
47 1HH1 ARG 7 2HH1 ARG 7 4.686 -5.219 -3.335
48 2HH1 ARG 7 1HH1 ARG 7 4.617 -6.793 -4.032
49 1HH2 ARG 7 2HH2 ARG 7 5.575 -8.406 -0.974
50 2HH2 ARG 7 1HH2 ARG 7 5.017 -8.702 -2.557
51 QB ARG 7 QB ARG 7 5.063 -3.573 1.614
52 QG ARG 7 QG ARG 7 4.544 -5.800 1.717
53 QD ARG 7 QD ARG 7 6.385 -6.470 0.515
54 QH1 ARG 7 QH1 ARG 7 4.652 -6.006 -3.683
55 QH2 ARG 7 QH2 ARG 7 5.296 -8.554 -1.765
56 H CYS 8 H CYS 8 3.139 -1.062 -0.293
57 HA CYS 8 HA CYS 8 0.541 -1.434 0.984
58 1HB CYS 8 1HB CYS 8 2.588 -0.889 2.569
59 2HB CYS 8 2HB CYS 8 2.342 0.735 2.017
60 QB CYS 8 QB CYS 8 2.465 -0.077 2.293
61 H ALA 9 H ALA 9 1.436 -0.679 -1.680
62 HA ALA 9 HA ALA 9 0.646 2.101 -2.140
63 1HB ALA 9 3HB ALA 9 2.169 0.909 -3.690
64 2HB ALA 9 1HB ALA 9 0.877 -0.255 -4.074
65 3HB ALA 9 2HB ALA 9 0.699 1.453 -4.523
66 QB ALA 9 QB ALA 9 1.248 0.703 -4.096
67 H TRP 10 H TRP 10 -1.194 -0.794 -1.465
68 HA TRP 10 HA TRP 10 -3.445 -0.410 -2.913
69 1HB TRP 10 1HB TRP 10 -4.426 -1.803 -1.368
70 2HB TRP 10 2HB TRP 10 -2.757 -2.244 -1.311
71 HD1 TRP 10 HD TRP 10 -1.439 -0.727 0.849
72 HE1 TRP 10 1HE TRP 10 -2.129 -0.785 3.294
73 HE3 TRP 10 3HE TRP 10 -6.350 -1.951 0.220
74 HZ2 TRP 10 2HZ TRP 10 -4.508 -1.468 4.821
75 HZ3 TRP 10 3HZ TRP 10 -7.817 -2.254 2.169
76 HH2 TRP 10 HH TRP 10 -6.895 -2.072 4.494
77 QB TRP 10 QB TRP 10 -3.592 -2.024 -1.339
78 H ARG 11 H ARG 11 -5.303 0.682 -2.664
79 HA ARG 11 HA ARG 11 -6.810 2.225 -2.105
80 1HB ARG 11 1HB ARG 11 -6.419 1.125 0.172
81 2HB ARG 11 2HB ARG 11 -5.532 2.575 0.636
82 1HG ARG 11 1HG ARG 11 -8.268 2.929 -0.576
83 2HG ARG 11 2HG ARG 11 -8.198 2.191 1.018
84 1HD ARG 11 1HD ARG 11 -7.278 4.082 2.048
85 2HD ARG 11 2HD ARG 11 -6.703 4.766 0.530
86 HE ARG 11 HE ARG 11 -9.608 4.409 0.717
87 1HH1 ARG 11 2HH1 ARG 11 -10.910 6.257 0.365
88 2HH1 ARG 11 1HH1 ARG 11 -10.221 7.834 0.504
89 1HH2 ARG 11 2HH2 ARG 11 -6.960 6.724 1.265
90 2HH2 ARG 11 1HH2 ARG 11 -7.881 8.106 0.763
91 QB ARG 11 QB ARG 11 -5.976 1.850 0.404
92 QG ARG 11 QG ARG 11 -8.233 2.560 0.221
93 QD ARG 11 QD ARG 11 -6.991 4.424 1.289
94 QH1 ARG 11 QH1 ARG 11 -10.566 7.045 0.435
95 QH2 ARG 11 QH2 ARG 11 -7.421 7.415 1.014
96 H CYS 12 H CYS 12 -3.528 3.114 -2.391
97 HA CYS 12 HA CYS 12 -4.440 5.823 -3.128
98 1HB CYS 12 2HB CYS 12 -1.673 5.850 -2.315
99 2HB CYS 12 3HB CYS 12 -2.989 6.894 -1.838
100 QB CYS 12 QB CYS 12 -2.331 6.372 -2.076
No H/Q in entry = 100
Start of MODEL 6
1 1H GLY 1 2HN GLY 1 4.483 8.069 1.507
2 2H GLY 1 3HN GLY 1 4.710 9.327 2.547
3 3H GLY 1 1HN GLY 1 5.752 8.036 2.557
4 1HA GLY 1 1HA GLY 1 4.316 7.848 4.418
5 2HA GLY 1 2HA GLY 1 2.923 8.077 3.339
6 QA GLY 1 QA GLY 1 3.619 7.963 3.879
7 H CYS 2 H CYS 2 2.195 5.932 4.327
8 HA CYS 2 HA CYS 2 3.658 3.559 3.745
9 1HB CYS 2 1HB CYS 2 1.514 3.901 5.227
10 2HB CYS 2 2HB CYS 2 0.654 3.485 3.738
11 QB CYS 2 QB CYS 2 1.084 3.693 4.483
12 H CYS 3 H CYS 3 1.088 5.272 1.788
13 HA CYS 3 HA CYS 3 0.912 3.457 -0.269
14 1HB CYS 3 1HB CYS 3 0.933 6.455 -0.631
15 2HB CYS 3 2HB CYS 3 0.160 5.275 -1.663
16 QB CYS 3 QB CYS 3 0.547 5.865 -1.147
17 H SER 4 H SER 4 3.642 5.687 0.244
18 HA SER 4 HA SER 4 4.838 5.420 -2.330
19 1HB SER 4 1HB SER 4 6.172 5.889 0.370
20 2HB SER 4 2HB SER 4 6.835 6.277 -1.221
21 HG SER 4 HG SER 4 5.234 7.782 -1.521
22 QB SER 4 QB SER 4 6.504 6.083 -0.425
23 H ASP 5 H ASP 5 4.706 3.197 0.435
24 HA ASP 5 HA ASP 5 6.976 1.548 -0.386
25 1HB ASP 5 1HB ASP 5 6.479 1.501 1.965
26 2HB ASP 5 2HB ASP 5 4.763 1.182 1.665
27 QB ASP 5 QB ASP 5 5.621 1.341 1.815
28 HA PRO 6 HA PRO 6 4.389 -0.254 -3.500
29 1HB PRO 6 1HB PRO 6 5.879 -2.474 -4.193
30 2HB PRO 6 2HB PRO 6 6.278 -0.796 -4.684
31 1HG PRO 6 1HG PRO 6 7.336 -2.374 -2.302
32 2HG PRO 6 2HG PRO 6 8.294 -1.483 -3.527
33 1HD PRO 6 1HD PRO 6 7.725 -0.315 -1.195
34 2HD PRO 6 2HD PRO 6 7.536 0.632 -2.693
35 QB PRO 6 QB PRO 6 6.079 -1.635 -4.439
36 QG PRO 6 QG PRO 6 7.815 -1.928 -2.914
37 QD PRO 6 QD PRO 6 7.631 0.158 -1.944
38 H ARG 7 H ARG 7 4.875 -1.852 -0.457
39 HA ARG 7 HA ARG 7 3.081 -4.058 -1.196
40 1HB ARG 7 1HB ARG 7 5.232 -3.580 0.715
41 2HB ARG 7 2HB ARG 7 3.787 -3.990 1.561
42 1HG ARG 7 1HG ARG 7 4.954 -6.027 1.192
43 2HG ARG 7 2HG ARG 7 3.609 -6.055 0.043
44 1HD ARG 7 1HD ARG 7 5.641 -6.815 -1.047
45 2HD ARG 7 2HD ARG 7 5.169 -5.264 -1.760
46 HE ARG 7 HE ARG 7 6.884 -4.407 0.117
47 1HH1 ARG 7 2HH1 ARG 7 9.070 -4.113 -0.042
48 2HH1 ARG 7 1HH1 ARG 7 10.107 -5.394 -0.557
49 1HH2 ARG 7 2HH2 ARG 7 7.379 -7.261 -1.974
50 2HH2 ARG 7 1HH2 ARG 7 9.098 -7.232 -1.772
51 QB ARG 7 QB ARG 7 4.509 -3.785 1.138
52 QG ARG 7 QG ARG 7 4.282 -6.041 0.618
53 QD ARG 7 QD ARG 7 5.405 -6.040 -1.403
54 QH1 ARG 7 QH1 ARG 7 9.589 -4.754 -0.300
55 QH2 ARG 7 QH2 ARG 7 8.238 -7.247 -1.873
56 H CYS 8 H CYS 8 2.945 -0.910 -0.139
57 HA CYS 8 HA CYS 8 0.295 -1.244 1.167
58 1HB CYS 8 1HB CYS 8 2.565 -0.320 2.330
59 2HB CYS 8 2HB CYS 8 2.021 1.145 1.566
60 QB CYS 8 QB CYS 8 2.293 0.412 1.948
61 H ALA 9 H ALA 9 1.063 -0.884 -1.621
62 HA ALA 9 HA ALA 9 0.357 1.844 -2.443
63 1HB ALA 9 1HB ALA 9 2.036 0.536 -3.713
64 2HB ALA 9 2HB ALA 9 0.808 -0.701 -4.075
65 3HB ALA 9 3HB ALA 9 0.643 0.934 -4.734
66 QB ALA 9 QB ALA 9 1.163 0.257 -4.174
67 H TRP 10 H TRP 10 -1.441 -1.247 -1.950
68 HA TRP 10 HA TRP 10 -3.754 -0.548 -3.369
69 1HB TRP 10 1HB TRP 10 -4.655 -2.295 -2.218
70 2HB TRP 10 2HB TRP 10 -3.002 -2.756 -2.310
71 HD1 TRP 10 HD TRP 10 -1.625 -2.756 0.084
72 HE1 TRP 10 1HE TRP 10 -2.443 -3.114 2.462
73 HE3 TRP 10 3HE TRP 10 -6.590 -1.693 -0.601
74 HZ2 TRP 10 2HZ TRP 10 -4.904 -2.857 3.936
75 HZ3 TRP 10 3HZ TRP 10 -8.134 -1.713 1.327
76 HH2 TRP 10 HH TRP 10 -7.309 -2.313 3.597
77 QB TRP 10 QB TRP 10 -3.828 -2.526 -2.264
78 H ARG 11 H ARG 11 -5.770 0.265 -2.416
79 HA ARG 11 HA ARG 11 -7.008 1.785 -1.366
80 1HB ARG 11 1HB ARG 11 -6.524 0.761 0.698
81 2HB ARG 11 2HB ARG 11 -5.022 1.627 0.918
82 1HG ARG 11 1HG ARG 11 -7.550 3.227 0.588
83 2HG ARG 11 2HG ARG 11 -7.282 2.371 2.091
84 1HD ARG 11 1HD ARG 11 -4.963 3.986 1.056
85 2HD ARG 11 2HD ARG 11 -6.338 4.872 1.692
86 HE ARG 11 HE ARG 11 -4.483 3.141 3.164
87 1HH1 ARG 11 2HH1 ARG 11 -4.703 2.952 5.386
88 2HH1 ARG 11 1HH1 ARG 11 -6.009 3.689 6.264
89 1HH2 ARG 11 2HH2 ARG 11 -7.566 4.867 3.263
90 2HH2 ARG 11 1HH2 ARG 11 -7.746 4.805 4.985
91 QB ARG 11 QB ARG 11 -5.773 1.194 0.808
92 QG ARG 11 QG ARG 11 -7.416 2.799 1.339
93 QD ARG 11 QD ARG 11 -5.650 4.429 1.374
94 QH1 ARG 11 QH1 ARG 11 -5.356 3.320 5.825
95 QH2 ARG 11 QH2 ARG 11 -7.656 4.836 4.124
96 H CYS 12 H CYS 12 -3.891 2.487 -2.563
97 HA CYS 12 HA CYS 12 -4.719 5.269 -3.007
98 1HB CYS 12 2HB CYS 12 -1.861 5.090 -2.733
99 2HB CYS 12 3HB CYS 12 -2.993 6.162 -1.937
100 QB CYS 12 QB CYS 12 -2.427 5.626 -2.335
No H/Q in entry = 100
Start of MODEL 7
1 1H GLY 1 1HN GLY 1 4.623 7.251 1.294
2 2H GLY 1 2HN GLY 1 4.980 8.415 2.397
3 3H GLY 1 3HN GLY 1 5.867 7.040 2.349
4 1HA GLY 1 1HA GLY 1 4.454 6.892 4.213
5 2HA GLY 1 2HA GLY 1 3.078 7.350 3.201
6 QA GLY 1 QA GLY 1 3.766 7.121 3.707
7 H CYS 2 H CYS 2 1.997 5.413 3.900
8 HA CYS 2 HA CYS 2 2.732 2.769 3.015
9 1HB CYS 2 1HB CYS 2 0.469 4.028 4.219
10 2HB CYS 2 2HB CYS 2 -0.106 3.273 2.735
11 QB CYS 2 QB CYS 2 0.181 3.650 3.477
12 H CYS 3 H CYS 3 0.991 5.526 1.514
13 HA CYS 3 HA CYS 3 0.665 4.664 -1.101
14 1HB CYS 3 1HB CYS 3 1.408 7.364 0.080
15 2HB CYS 3 2HB CYS 3 0.914 7.156 -1.586
16 QB CYS 3 QB CYS 3 1.161 7.260 -0.753
17 H SER 4 H SER 4 3.690 4.567 0.255
18 HA SER 4 HA SER 4 5.104 4.981 -2.308
19 1HB SER 4 1HB SER 4 6.199 5.755 0.413
20 2HB SER 4 2HB SER 4 6.925 6.081 -1.168
21 HG SER 4 HG SER 4 5.347 7.519 -1.596
22 QB SER 4 QB SER 4 6.562 5.918 -0.378
23 H ASP 5 H ASP 5 4.250 2.900 0.247
24 HA ASP 5 HA ASP 5 6.703 1.266 0.252
25 1HB ASP 5 1HB ASP 5 5.629 1.332 2.403
26 2HB ASP 5 2HB ASP 5 4.026 1.162 1.694
27 QB ASP 5 QB ASP 5 4.827 1.247 2.048
28 HA PRO 6 HA PRO 6 4.646 -0.436 -3.352
29 1HB PRO 6 1HB PRO 6 6.297 -2.542 -3.975
30 2HB PRO 6 2HB PRO 6 6.690 -0.829 -4.283
31 1HG PRO 6 1HG PRO 6 7.534 -2.507 -1.899
32 2HG PRO 6 2HG PRO 6 8.564 -1.490 -2.961
33 1HD PRO 6 1HD PRO 6 7.634 -0.557 -0.599
34 2HD PRO 6 2HD PRO 6 7.701 0.514 -2.025
35 QB PRO 6 QB PRO 6 6.494 -1.686 -4.129
36 QG PRO 6 QG PRO 6 8.049 -1.999 -2.430
37 QD PRO 6 QD PRO 6 7.667 -0.021 -1.312
38 H ARG 7 H ARG 7 4.854 -1.988 -0.264
39 HA ARG 7 HA ARG 7 3.001 -4.134 -1.042
40 1HB ARG 7 1HB ARG 7 4.967 -3.682 1.061
41 2HB ARG 7 2HB ARG 7 3.411 -3.850 1.795
42 1HG ARG 7 1HG ARG 7 4.317 -6.035 1.736
43 2HG ARG 7 2HG ARG 7 3.108 -6.015 0.450
44 1HD ARG 7 1HD ARG 7 5.077 -7.161 -0.324
45 2HD ARG 7 2HD ARG 7 4.909 -5.648 -1.226
46 HE ARG 7 HE ARG 7 6.546 -4.865 0.769
47 1HH1 ARG 7 2HH1 ARG 7 8.724 -4.969 0.940
48 2HH1 ARG 7 1HH1 ARG 7 9.646 -6.273 0.216
49 1HH2 ARG 7 2HH2 ARG 7 6.849 -7.688 -1.424
50 2HH2 ARG 7 1HH2 ARG 7 8.587 -7.571 -1.419
51 QB ARG 7 QB ARG 7 4.189 -3.766 1.428
52 QG ARG 7 QG ARG 7 3.712 -6.025 1.093
53 QD ARG 7 QD ARG 7 4.993 -6.405 -0.775
54 QH1 ARG 7 QH1 ARG 7 9.185 -5.621 0.578
55 QH2 ARG 7 QH2 ARG 7 7.718 -7.629 -1.422
56 H CYS 8 H CYS 8 2.751 -0.905 -0.320
57 HA CYS 8 HA CYS 8 -0.032 -1.118 0.618
58 1HB CYS 8 1HB CYS 8 1.878 -0.644 2.409
59 2HB CYS 8 2HB CYS 8 1.763 0.982 1.775
60 QB CYS 8 QB CYS 8 1.820 0.169 2.092
61 H ALA 9 H ALA 9 1.285 -0.474 -1.898
62 HA ALA 9 HA ALA 9 0.541 2.267 -2.573
63 1HB ALA 9 2HB ALA 9 0.849 -0.215 -4.319
64 2HB ALA 9 3HB ALA 9 0.607 1.436 -4.916
65 3HB ALA 9 1HB ALA 9 2.087 1.033 -4.015
66 QB ALA 9 QB ALA 9 1.181 0.751 -4.416
67 H TRP 10 H TRP 10 -1.182 -0.979 -2.573
68 HA TRP 10 HA TRP 10 -3.648 0.029 -3.487
69 1HB TRP 10 1HB TRP 10 -4.384 -2.067 -2.832
70 2HB TRP 10 2HB TRP 10 -2.767 -2.379 -3.354
71 HD1 TRP 10 HD TRP 10 -0.966 -3.011 -1.382
72 HE1 TRP 10 1HE TRP 10 -1.239 -3.934 0.950
73 HE3 TRP 10 3HE TRP 10 -5.999 -2.237 -0.820
74 HZ2 TRP 10 2HZ TRP 10 -3.414 -4.299 2.887
75 HZ3 TRP 10 3HZ TRP 10 -7.127 -2.864 1.298
76 HH2 TRP 10 HH TRP 10 -5.841 -3.897 3.153
77 QB TRP 10 QB TRP 10 -3.575 -2.223 -3.093
78 H ARG 11 H ARG 11 -5.342 0.630 -2.239
79 HA ARG 11 HA ARG 11 -6.613 1.436 -0.540
80 1HB ARG 11 1HB ARG 11 -5.353 -0.325 0.944
81 2HB ARG 11 2HB ARG 11 -4.445 1.070 1.526
82 1HG ARG 11 1HG ARG 11 -6.546 2.108 2.318
83 2HG ARG 11 2HG ARG 11 -7.474 0.777 1.604
84 1HD ARG 11 1HD ARG 11 -7.254 0.382 3.970
85 2HD ARG 11 2HD ARG 11 -6.301 -0.831 3.119
86 HE ARG 11 HE ARG 11 -5.379 1.475 4.728
87 1HH1 ARG 11 2HH1 ARG 11 -3.315 1.255 5.738
88 2HH1 ARG 11 1HH1 ARG 11 -2.150 0.147 5.110
89 1HH2 ARG 11 2HH2 ARG 11 -4.320 -1.288 2.700
90 2HH2 ARG 11 1HH2 ARG 11 -2.803 -1.439 3.506
91 QB ARG 11 QB ARG 11 -4.899 0.373 1.235
92 QG ARG 11 QG ARG 11 -7.010 1.442 1.961
93 QD ARG 11 QD ARG 11 -6.778 -0.224 3.545
94 QH1 ARG 11 QH1 ARG 11 -2.733 0.701 5.424
95 QH2 ARG 11 QH2 ARG 11 -3.562 -1.364 3.103
96 H CYS 12 H CYS 12 -3.459 2.566 -1.291
97 HA CYS 12 HA CYS 12 -3.527 5.119 -0.003
98 1HB CYS 12 2HB CYS 12 -1.562 4.227 -1.316
99 2HB CYS 12 3HB CYS 12 -2.530 4.450 -2.788
100 QB CYS 12 QB CYS 12 -2.046 4.339 -2.052
No H/Q in entry = 100
Start of MODEL 8
1 1H GLY 1 3HN GLY 1 4.471 7.633 1.862
2 2H GLY 1 1HN GLY 1 5.127 8.506 3.097
3 3H GLY 1 2HN GLY 1 5.874 7.125 2.564
4 1HA GLY 1 1HA GLY 1 4.773 6.698 4.623
5 2HA GLY 1 2HA GLY 1 3.271 7.287 3.877
6 QA GLY 1 QA GLY 1 4.022 6.993 4.250
7 H CYS 2 H CYS 2 2.338 5.191 4.399
8 HA CYS 2 HA CYS 2 3.139 2.726 3.367
9 1HB CYS 2 1HB CYS 2 0.860 3.819 4.684
10 2HB CYS 2 2HB CYS 2 0.249 3.029 3.244
11 QB CYS 2 QB CYS 2 0.555 3.424 3.964
12 H CYS 3 H CYS 3 0.939 5.168 1.822
13 HA CYS 3 HA CYS 3 0.494 3.851 -0.536
14 1HB CYS 3 1HB CYS 3 0.977 6.832 -0.261
15 2HB CYS 3 2HB CYS 3 0.063 6.032 -1.535
16 QB CYS 3 QB CYS 3 0.520 6.432 -0.898
17 H SER 4 H SER 4 3.561 5.388 0.335
18 HA SER 4 HA SER 4 4.610 5.476 -2.375
19 1HB SER 4 1HB SER 4 6.249 5.524 0.171
20 2HB SER 4 2HB SER 4 6.558 6.334 -1.372
21 HG SER 4 HG SER 4 5.712 7.981 -0.368
22 QB SER 4 QB SER 4 6.404 5.929 -0.601
23 H ASP 5 H ASP 5 4.473 3.100 0.262
24 HA ASP 5 HA ASP 5 6.849 1.598 -0.570
25 1HB ASP 5 1HB ASP 5 6.290 1.721 1.811
26 2HB ASP 5 2HB ASP 5 4.664 1.102 1.506
27 QB ASP 5 QB ASP 5 5.477 1.411 1.658
28 HA PRO 6 HA PRO 6 4.299 -0.456 -3.463
29 1HB PRO 6 1HB PRO 6 5.771 -2.638 -4.265
30 2HB PRO 6 2HB PRO 6 6.185 -0.953 -4.704
31 1HG PRO 6 1HG PRO 6 7.259 -2.597 -2.397
32 2HG PRO 6 2HG PRO 6 8.198 -1.652 -3.602
33 1HD PRO 6 1HD PRO 6 7.601 -0.665 -1.156
34 2HD PRO 6 2HD PRO 6 7.557 0.406 -2.586
35 QB PRO 6 QB PRO 6 5.978 -1.796 -4.485
36 QG PRO 6 QG PRO 6 7.728 -2.124 -3.000
37 QD PRO 6 QD PRO 6 7.579 -0.130 -1.871
38 H ARG 7 H ARG 7 4.955 -2.021 -0.448
39 HA ARG 7 HA ARG 7 2.967 -4.127 -0.990
40 1HB ARG 7 1HB ARG 7 5.367 -3.932 0.611
41 2HB ARG 7 2HB ARG 7 4.016 -4.067 1.715
42 1HG ARG 7 1HG ARG 7 3.238 -6.103 0.390
43 2HG ARG 7 2HG ARG 7 4.662 -5.901 -0.640
44 1HD ARG 7 1HD ARG 7 5.280 -7.574 0.891
45 2HD ARG 7 2HD ARG 7 6.080 -6.117 1.491
46 HE ARG 7 HE ARG 7 3.513 -6.338 2.707
47 1HH1 ARG 7 2HH1 ARG 7 3.087 -7.525 4.609
48 2HH1 ARG 7 1HH1 ARG 7 4.318 -8.395 5.443
49 1HH2 ARG 7 2HH2 ARG 7 6.772 -7.814 2.887
50 2HH2 ARG 7 1HH2 ARG 7 6.472 -8.595 4.390
51 QB ARG 7 QB ARG 7 4.691 -4.000 1.163
52 QG ARG 7 QG ARG 7 3.950 -6.002 -0.125
53 QD ARG 7 QD ARG 7 5.680 -6.845 1.191
54 QH1 ARG 7 QH1 ARG 7 3.703 -7.960 5.026
55 QH2 ARG 7 QH2 ARG 7 6.622 -8.204 3.639
56 H CYS 8 H CYS 8 2.968 -0.926 -0.134
57 HA CYS 8 HA CYS 8 0.322 -1.218 1.073
58 1HB CYS 8 1HB CYS 8 2.345 -0.789 2.712
59 2HB CYS 8 2HB CYS 8 2.174 0.860 2.178
60 QB CYS 8 QB CYS 8 2.260 0.035 2.445
61 H ALA 9 H ALA 9 1.397 -0.455 -1.524
62 HA ALA 9 HA ALA 9 0.304 2.283 -1.936
63 1HB ALA 9 3HB ALA 9 2.336 1.651 -3.175
64 2HB ALA 9 1HB ALA 9 1.417 0.334 -3.972
65 3HB ALA 9 2HB ALA 9 0.979 2.034 -4.252
66 QB ALA 9 QB ALA 9 1.578 1.340 -3.800
67 H TRP 10 H TRP 10 -1.048 -0.852 -1.642
68 HA TRP 10 HA TRP 10 -3.284 -0.571 -3.314
69 1HB TRP 10 1HB TRP 10 -4.173 -2.133 -1.902
70 2HB TRP 10 2HB TRP 10 -2.497 -2.480 -1.704
71 HD1 TRP 10 HD TRP 10 -2.026 -0.084 0.574
72 HE1 TRP 10 1HE TRP 10 -3.049 -0.307 2.897
73 HE3 TRP 10 3HE TRP 10 -5.533 -3.684 -0.427
74 HZ2 TRP 10 2HZ TRP 10 -5.126 -1.836 4.176
75 HZ3 TRP 10 3HZ TRP 10 -7.037 -4.487 1.384
76 HH2 TRP 10 HH TRP 10 -6.865 -3.546 3.669
77 QB TRP 10 QB TRP 10 -3.335 -2.307 -1.803
78 H ARG 11 H ARG 11 -5.440 0.249 -2.454
79 HA ARG 11 HA ARG 11 -6.832 1.606 -1.378
80 1HB ARG 11 1HB ARG 11 -5.912 0.234 0.441
81 2HB ARG 11 2HB ARG 11 -4.726 1.476 0.802
82 1HG ARG 11 1HG ARG 11 -6.490 3.028 1.481
83 2HG ARG 11 2HG ARG 11 -7.731 1.823 1.082
84 1HD ARG 11 1HD ARG 11 -6.909 0.333 2.800
85 2HD ARG 11 2HD ARG 11 -5.433 1.289 2.987
86 HE ARG 11 HE ARG 11 -7.937 2.712 3.508
87 1HH1 ARG 11 2HH1 ARG 11 -8.393 3.362 5.703
88 2HH1 ARG 11 1HH1 ARG 11 -7.255 2.995 6.956
89 1HH2 ARG 11 2HH2 ARG 11 -5.026 1.191 4.894
90 2HH2 ARG 11 1HH2 ARG 11 -5.435 1.533 6.537
91 QB ARG 11 QB ARG 11 -5.319 0.855 0.621
92 QG ARG 11 QG ARG 11 -7.110 2.425 1.281
93 QD ARG 11 QD ARG 11 -6.171 0.811 2.894
94 QH1 ARG 11 QH1 ARG 11 -7.824 3.179 6.330
95 QH2 ARG 11 QH2 ARG 11 -5.230 1.362 5.716
96 H CYS 12 H CYS 12 -3.900 3.019 -2.429
97 HA CYS 12 HA CYS 12 -5.225 5.662 -2.207
98 1HB CYS 12 2HB CYS 12 -2.367 5.957 -2.390
99 2HB CYS 12 3HB CYS 12 -3.500 6.636 -1.236
100 QB CYS 12 QB CYS 12 -2.934 6.296 -1.813
No H/Q in entry = 100
Start of MODEL 9
1 1H GLY 1 1HN GLY 1 6.317 6.975 4.182
2 2H GLY 1 2HN GLY 1 5.735 8.085 3.128
3 3H GLY 1 3HN GLY 1 5.945 8.496 4.712
4 1HA GLY 1 1HA GLY 1 4.237 7.028 5.406
5 2HA GLY 1 2HA GLY 1 3.606 8.096 4.127
6 QA GLY 1 QA GLY 1 3.922 7.562 4.766
7 H CYS 2 H CYS 2 2.641 5.480 4.852
8 HA CYS 2 HA CYS 2 3.843 3.333 3.650
9 1HB CYS 2 1HB CYS 2 1.513 3.774 5.124
10 2HB CYS 2 2HB CYS 2 0.908 3.060 3.635
11 QB CYS 2 QB CYS 2 1.211 3.417 4.380
12 H CYS 3 H CYS 3 1.535 5.551 1.948
13 HA CYS 3 HA CYS 3 1.110 3.681 -0.183
14 1HB CYS 3 1HB CYS 3 0.890 6.700 -0.272
15 2HB CYS 3 2HB CYS 3 0.210 5.543 -1.417
16 QB CYS 3 QB CYS 3 0.550 6.121 -0.844
17 H SER 4 H SER 4 3.939 5.563 0.530
18 HA SER 4 HA SER 4 4.988 5.617 -2.193
19 1HB SER 4 1HB SER 4 6.384 5.955 0.496
20 2HB SER 4 2HB SER 4 7.025 6.377 -1.095
21 HG SER 4 HG SER 4 6.284 8.225 -0.369
22 QB SER 4 QB SER 4 6.705 6.166 -0.300
23 H ASP 5 H ASP 5 4.373 2.985 -0.120
24 HA ASP 5 HA ASP 5 6.877 1.550 -0.878
25 1HB ASP 5 1HB ASP 5 6.519 1.712 1.550
26 2HB ASP 5 2HB ASP 5 4.885 1.076 1.386
27 QB ASP 5 QB ASP 5 5.702 1.394 1.468
28 HA PRO 6 HA PRO 6 4.037 -0.256 -3.716
29 1HB PRO 6 1HB PRO 6 5.376 -2.443 -4.664
30 2HB PRO 6 2HB PRO 6 5.926 -0.762 -4.966
31 1HG PRO 6 1HG PRO 6 6.882 -2.628 -2.771
32 2HG PRO 6 2HG PRO 6 7.862 -1.731 -3.974
33 1HD PRO 6 1HD PRO 6 7.439 -0.720 -1.503
34 2HD PRO 6 2HD PRO 6 7.421 0.349 -2.935
35 QB PRO 6 QB PRO 6 5.651 -1.603 -4.815
36 QG PRO 6 QG PRO 6 7.372 -2.180 -3.372
37 QD PRO 6 QD PRO 6 7.430 -0.186 -2.219
38 H ARG 7 H ARG 7 4.992 -1.987 -0.875
39 HA ARG 7 HA ARG 7 2.888 -4.036 -1.252
40 1HB ARG 7 1HB ARG 7 5.435 -4.366 -0.465
41 2HB ARG 7 2HB ARG 7 4.655 -4.106 1.100
42 1HG ARG 7 1HG ARG 7 3.138 -5.934 0.770
43 2HG ARG 7 2HG ARG 7 3.551 -6.084 -0.941
44 1HD ARG 7 1HD ARG 7 5.440 -6.646 1.367
45 2HD ARG 7 2HD ARG 7 4.584 -7.866 0.417
46 HE ARG 7 HE ARG 7 6.882 -6.213 -0.371
47 1HH1 ARG 7 2HH1 ARG 7 7.749 -6.420 -2.504
48 2HH1 ARG 7 1HH1 ARG 7 7.086 -7.586 -3.615
49 1HH2 ARG 7 2HH2 ARG 7 4.469 -8.603 -1.473
50 2HH2 ARG 7 1HH2 ARG 7 5.139 -8.774 -3.044
51 QB ARG 7 QB ARG 7 5.045 -4.236 0.317
52 QG ARG 7 QG ARG 7 3.344 -6.009 -0.085
53 QD ARG 7 QD ARG 7 5.012 -7.256 0.892
54 QH1 ARG 7 QH1 ARG 7 7.417 -7.003 -3.060
55 QH2 ARG 7 QH2 ARG 7 4.804 -8.689 -2.259
56 H CYS 8 H CYS 8 3.060 -0.947 -0.232
57 HA CYS 8 HA CYS 8 0.723 -1.391 1.470
58 1HB CYS 8 1HB CYS 8 3.060 -0.615 2.552
59 2HB CYS 8 2HB CYS 8 2.521 0.935 1.979
60 QB CYS 8 QB CYS 8 2.791 0.160 2.266
61 H ALA 9 H ALA 9 1.379 -0.683 -1.288
62 HA ALA 9 HA ALA 9 -0.173 1.819 -1.807
63 1HB ALA 9 2HB ALA 9 1.292 -0.049 -3.728
64 2HB ALA 9 3HB ALA 9 0.429 1.440 -4.166
65 3HB ALA 9 1HB ALA 9 1.875 1.528 -3.140
66 QB ALA 9 QB ALA 9 1.199 0.973 -3.678
67 H TRP 10 H TRP 10 -1.783 0.473 -0.511
68 HA TRP 10 HA TRP 10 -3.485 -1.377 -1.815
69 1HB TRP 10 1HB TRP 10 -4.809 -0.929 0.081
70 2HB TRP 10 2HB TRP 10 -3.187 -0.865 0.657
71 HD1 TRP 10 HD TRP 10 -2.358 2.121 0.344
72 HE1 TRP 10 1HE TRP 10 -3.564 4.014 1.527
73 HE3 TRP 10 3HE TRP 10 -6.801 -0.238 1.318
74 HZ2 TRP 10 2HZ TRP 10 -6.133 4.474 2.759
75 HZ3 TRP 10 3HZ TRP 10 -8.629 0.987 2.471
76 HH2 TRP 10 HH TRP 10 -8.308 3.338 3.187
77 QB TRP 10 QB TRP 10 -3.998 -0.897 0.369
78 H ARG 11 H ARG 11 -5.898 0.102 -1.323
79 HA ARG 11 HA ARG 11 -6.347 1.697 -3.714
80 1HB ARG 11 1HB ARG 11 -7.909 0.063 -2.512
81 2HB ARG 11 2HB ARG 11 -8.143 1.282 -1.276
82 1HG ARG 11 1HG ARG 11 -8.673 1.940 -4.201
83 2HG ARG 11 2HG ARG 11 -9.786 0.904 -3.310
84 1HD ARG 11 1HD ARG 11 -10.002 2.710 -1.560
85 2HD ARG 11 2HD ARG 11 -9.130 3.787 -2.654
86 HE ARG 11 HE ARG 11 -11.806 2.547 -3.038
87 1HH1 ARG 11 2HH1 ARG 11 -13.145 3.402 -4.632
88 2HH1 ARG 11 1HH1 ARG 11 -12.758 4.882 -5.431
89 1HH2 ARG 11 2HH2 ARG 11 -9.446 5.009 -4.157
90 2HH2 ARG 11 1HH2 ARG 11 -10.409 5.483 -5.503
91 QB ARG 11 QB ARG 11 -8.026 0.672 -1.894
92 QG ARG 11 QG ARG 11 -9.230 1.422 -3.755
93 QD ARG 11 QD ARG 11 -9.566 3.248 -2.107
94 QH1 ARG 11 QH1 ARG 11 -12.952 4.142 -5.031
95 QH2 ARG 11 QH2 ARG 11 -9.927 5.246 -4.830
96 H CYS 12 H CYS 12 -4.245 2.912 -2.649
97 HA CYS 12 HA CYS 12 -5.008 5.110 -0.845
98 1HB CYS 12 2HB CYS 12 -2.683 3.995 -1.000
99 2HB CYS 12 3HB CYS 12 -2.483 4.863 -2.522
100 QB CYS 12 QB CYS 12 -2.583 4.429 -1.761
No H/Q in entry = 100
Start of MODEL 10
1 1H GLY 1 2HN GLY 1 4.593 7.288 4.682
2 2H GLY 1 3HN GLY 1 4.340 8.217 3.351
3 3H GLY 1 1HN GLY 1 3.819 8.749 4.812
4 1HA GLY 1 1HA GLY 1 2.211 7.033 4.982
5 2HA GLY 1 2HA GLY 1 1.999 7.941 3.473
6 QA GLY 1 QA GLY 1 2.105 7.487 4.227
7 H CYS 2 H CYS 2 1.079 5.255 3.957
8 HA CYS 2 HA CYS 2 2.821 3.201 3.098
9 1HB CYS 2 1HB CYS 2 -0.012 3.615 3.804
10 2HB CYS 2 2HB CYS 2 0.182 2.498 2.489
11 QB CYS 2 QB CYS 2 0.085 3.056 3.146
12 H CYS 3 H CYS 3 1.048 5.590 1.266
13 HA CYS 3 HA CYS 3 0.875 4.535 -1.286
14 1HB CYS 3 1HB CYS 3 1.777 7.310 -0.412
15 2HB CYS 3 2HB CYS 3 1.141 6.898 -1.984
16 QB CYS 3 QB CYS 3 1.459 7.104 -1.198
17 H SER 4 H SER 4 3.759 5.546 0.497
18 HA SER 4 HA SER 4 5.572 5.737 -1.742
19 1HB SER 4 1HB SER 4 5.668 6.938 0.488
20 2HB SER 4 2HB SER 4 6.090 5.398 1.249
21 HG SER 4 HG SER 4 8.046 5.506 0.441
22 QB SER 4 QB SER 4 5.879 6.168 0.869
23 H ASP 5 H ASP 5 4.205 2.995 -0.023
24 HA ASP 5 HA ASP 5 6.682 1.386 -0.349
25 1HB ASP 5 1HB ASP 5 6.038 1.612 1.949
26 2HB ASP 5 2HB ASP 5 4.348 1.272 1.588
27 QB ASP 5 QB ASP 5 5.193 1.442 1.768
28 HA PRO 6 HA PRO 6 4.109 -0.365 -3.569
29 1HB PRO 6 1HB PRO 6 5.630 -2.554 -4.282
30 2HB PRO 6 2HB PRO 6 5.954 -0.884 -4.830
31 1HG PRO 6 1HG PRO 6 7.207 -2.355 -2.492
32 2HG PRO 6 2HG PRO 6 8.038 -1.393 -3.749
33 1HD PRO 6 1HD PRO 6 7.484 -0.352 -1.337
34 2HD PRO 6 2HD PRO 6 7.277 0.663 -2.787
35 QB PRO 6 QB PRO 6 5.792 -1.719 -4.556
36 QG PRO 6 QG PRO 6 7.622 -1.874 -3.121
37 QD PRO 6 QD PRO 6 7.380 0.155 -2.062
38 H ARG 7 H ARG 7 5.253 -2.131 -0.802
39 HA ARG 7 HA ARG 7 3.331 -4.302 -1.114
40 1HB ARG 7 1HB ARG 7 5.733 -3.945 0.353
41 2HB ARG 7 2HB ARG 7 4.461 -3.951 1.562
42 1HG ARG 7 1HG ARG 7 4.815 -6.173 1.458
43 2HG ARG 7 2HG ARG 7 3.606 -6.085 0.182
44 1HD ARG 7 1HD ARG 7 6.637 -6.167 -0.146
45 2HD ARG 7 2HD ARG 7 5.541 -7.495 -0.442
46 HE ARG 7 HE ARG 7 4.557 -6.260 -2.305
47 1HH1 ARG 7 2HH1 ARG 7 5.218 -5.598 -4.434
48 2HH1 ARG 7 1HH1 ARG 7 6.788 -4.930 -4.656
49 1HH2 ARG 7 2HH2 ARG 7 7.870 -5.272 -1.314
50 2HH2 ARG 7 1HH2 ARG 7 8.363 -4.996 -2.960
51 QB ARG 7 QB ARG 7 5.097 -3.948 0.957
52 QG ARG 7 QG ARG 7 4.210 -6.129 0.820
53 QD ARG 7 QD ARG 7 6.089 -6.831 -0.294
54 QH1 ARG 7 QH1 ARG 7 6.003 -5.264 -4.545
55 QH2 ARG 7 QH2 ARG 7 8.116 -5.134 -2.137
56 H CYS 8 H CYS 8 3.008 -1.141 -0.164
57 HA CYS 8 HA CYS 8 0.503 -1.680 1.250
58 1HB CYS 8 1HB CYS 8 2.631 -0.779 2.636
59 2HB CYS 8 2HB CYS 8 2.118 0.757 1.956
60 QB CYS 8 QB CYS 8 2.375 -0.011 2.296
61 H ALA 9 H ALA 9 1.317 -0.965 -1.461
62 HA ALA 9 HA ALA 9 0.719 1.796 -1.937
63 1HB ALA 9 1HB ALA 9 0.755 -0.554 -3.895
64 2HB ALA 9 2HB ALA 9 0.702 1.163 -4.346
65 3HB ALA 9 3HB ALA 9 2.116 0.526 -3.488
66 QB ALA 9 QB ALA 9 1.191 0.378 -3.910
67 H TRP 10 H TRP 10 -1.406 -1.157 -2.558
68 HA TRP 10 HA TRP 10 -3.509 0.258 -3.618
69 1HB TRP 10 1HB TRP 10 -4.697 -1.691 -3.184
70 2HB TRP 10 2HB TRP 10 -3.083 -2.203 -3.548
71 HD1 TRP 10 HD TRP 10 -2.048 -1.768 -0.396
72 HE1 TRP 10 1HE TRP 10 -2.623 -3.533 1.293
73 HE3 TRP 10 3HE TRP 10 -6.061 -3.866 -2.794
74 HZ2 TRP 10 2HZ TRP 10 -4.421 -5.793 1.493
75 HZ3 TRP 10 3HZ TRP 10 -7.151 -5.876 -1.844
76 HH2 TRP 10 HH TRP 10 -6.313 -6.884 0.290
77 QB TRP 10 QB TRP 10 -3.890 -1.947 -3.366
78 H ARG 11 H ARG 11 -5.358 1.096 -2.725
79 HA ARG 11 HA ARG 11 -6.760 2.075 -1.291
80 1HB ARG 11 1HB ARG 11 -5.255 0.940 1.084
81 2HB ARG 11 2HB ARG 11 -6.904 1.514 1.053
82 1HG ARG 11 1HG ARG 11 -7.700 -0.390 -0.100
83 2HG ARG 11 2HG ARG 11 -6.104 -0.875 -0.666
84 1HD ARG 11 1HD ARG 11 -5.381 -1.384 1.611
85 2HD ARG 11 2HD ARG 11 -6.979 -0.955 2.234
86 HE ARG 11 HE ARG 11 -6.159 -3.354 0.822
87 1HH1 ARG 11 2HH1 ARG 11 -7.654 -5.018 0.500
88 2HH1 ARG 11 1HH1 ARG 11 -9.355 -4.790 0.792
89 1HH2 ARG 11 2HH2 ARG 11 -9.005 -1.356 1.592
90 2HH2 ARG 11 1HH2 ARG 11 -10.130 -2.670 1.563
91 QB ARG 11 QB ARG 11 -6.080 1.227 1.068
92 QG ARG 11 QG ARG 11 -6.902 -0.632 -0.383
93 QD ARG 11 QD ARG 11 -6.180 -1.169 1.923
94 QH1 ARG 11 QH1 ARG 11 -8.504 -4.904 0.646
95 QH2 ARG 11 QH2 ARG 11 -9.568 -2.013 1.578
96 H CYS 12 H CYS 12 -3.391 2.749 -1.093
97 HA CYS 12 HA CYS 12 -3.954 5.273 0.401
98 1HB CYS 12 2HB CYS 12 -2.037 3.733 1.075
99 2HB CYS 12 3HB CYS 12 -1.261 4.170 -0.448
100 QB CYS 12 QB CYS 12 -1.649 3.952 0.314
No H/Q in entry = 100
Start of MODEL 11
1 1H GLY 1 2HN GLY 1 5.079 7.573 2.377
2 2H GLY 1 3HN GLY 1 5.642 8.192 3.797
3 3H GLY 1 1HN GLY 1 6.167 6.723 3.261
4 1HA GLY 1 1HA GLY 1 4.600 6.449 5.048
5 2HA GLY 1 2HA GLY 1 3.425 7.368 4.090
6 QA GLY 1 QA GLY 1 4.012 6.909 4.569
7 H CYS 2 H CYS 2 2.132 5.326 4.419
8 HA CYS 2 HA CYS 2 2.686 2.826 3.359
9 1HB CYS 2 1HB CYS 2 0.799 3.270 4.774
10 2HB CYS 2 2HB CYS 2 0.146 4.450 3.666
11 QB CYS 2 QB CYS 2 0.473 3.860 4.220
12 H CYS 3 H CYS 3 0.994 5.475 1.537
13 HA CYS 3 HA CYS 3 0.853 4.280 -0.951
14 1HB CYS 3 1HB CYS 3 1.599 7.147 -0.272
15 2HB CYS 3 2HB CYS 3 1.156 6.608 -1.879
16 QB CYS 3 QB CYS 3 1.377 6.877 -1.075
17 H SER 4 H SER 4 3.839 5.359 0.587
18 HA SER 4 HA SER 4 5.358 5.621 -1.879
19 1HB SER 4 1HB SER 4 6.396 5.691 0.934
20 2HB SER 4 2HB SER 4 7.022 6.546 -0.483
21 HG SER 4 HG SER 4 5.286 7.971 -0.361
22 QB SER 4 QB SER 4 6.709 6.118 0.226
23 H ASP 5 H ASP 5 4.351 2.886 -0.176
24 HA ASP 5 HA ASP 5 6.865 1.390 -0.781
25 1HB ASP 5 1HB ASP 5 6.550 1.538 1.634
26 2HB ASP 5 2HB ASP 5 4.854 1.039 1.494
27 QB ASP 5 QB ASP 5 5.702 1.289 1.564
28 HA PRO 6 HA PRO 6 4.012 -0.446 -3.610
29 1HB PRO 6 1HB PRO 6 5.178 -2.938 -4.125
30 2HB PRO 6 2HB PRO 6 5.649 -1.386 -4.878
31 1HG PRO 6 1HG PRO 6 6.892 -2.750 -2.478
32 2HG PRO 6 2HG PRO 6 7.716 -1.983 -3.872
33 1HD PRO 6 1HD PRO 6 7.459 -0.679 -1.531
34 2HD PRO 6 2HD PRO 6 7.216 0.202 -3.065
35 QB PRO 6 QB PRO 6 5.413 -2.162 -4.501
36 QG PRO 6 QG PRO 6 7.304 -2.367 -3.175
37 QD PRO 6 QD PRO 6 7.338 -0.239 -2.298
38 H ARG 7 H ARG 7 4.860 -2.251 -0.767
39 HA ARG 7 HA ARG 7 2.589 -4.085 -0.944
40 1HB ARG 7 1HB ARG 7 4.930 -4.391 0.223
41 2HB ARG 7 2HB ARG 7 4.070 -3.630 1.563
42 1HG ARG 7 1HG ARG 7 2.304 -5.442 1.378
43 2HG ARG 7 2HG ARG 7 3.323 -6.221 0.166
44 1HD ARG 7 1HD ARG 7 4.049 -5.629 3.065
45 2HD ARG 7 2HD ARG 7 3.649 -7.207 2.381
46 HE ARG 7 HE ARG 7 6.022 -5.548 1.636
47 1HH1 ARG 7 2HH1 ARG 7 7.834 -6.653 0.958
48 2HH1 ARG 7 1HH1 ARG 7 8.150 -8.288 1.439
49 1HH2 ARG 7 2HH2 ARG 7 4.785 -8.766 2.615
50 2HH2 ARG 7 1HH2 ARG 7 6.331 -9.527 2.419
51 QB ARG 7 QB ARG 7 4.500 -4.011 0.893
52 QG ARG 7 QG ARG 7 2.814 -5.831 0.772
53 QD ARG 7 QD ARG 7 3.849 -6.418 2.723
54 QH1 ARG 7 QH1 ARG 7 7.992 -7.470 1.199
55 QH2 ARG 7 QH2 ARG 7 5.558 -9.147 2.517
56 H CYS 8 H CYS 8 2.788 -0.853 -0.234
57 HA CYS 8 HA CYS 8 0.145 -0.956 0.990
58 1HB CYS 8 1HB CYS 8 2.181 -0.639 2.609
59 2HB CYS 8 2HB CYS 8 2.174 1.004 2.066
60 QB CYS 8 QB CYS 8 2.177 0.183 2.337
61 H ALA 9 H ALA 9 1.400 -0.431 -1.592
62 HA ALA 9 HA ALA 9 0.441 2.261 -2.343
63 1HB ALA 9 3HB ALA 9 2.238 1.077 -3.630
64 2HB ALA 9 1HB ALA 9 1.053 -0.155 -4.114
65 3HB ALA 9 2HB ALA 9 0.847 1.531 -4.641
66 QB ALA 9 QB ALA 9 1.379 0.818 -4.128
67 H TRP 10 H TRP 10 -0.912 -0.989 -1.877
68 HA TRP 10 HA TRP 10 -3.280 -0.640 -3.366
69 1HB TRP 10 1HB TRP 10 -3.834 -2.573 -2.507
70 2HB TRP 10 2HB TRP 10 -2.187 -2.656 -2.018
71 HD1 TRP 10 HD TRP 10 -1.964 -1.458 0.706
72 HE1 TRP 10 1HE TRP 10 -3.521 -1.703 2.687
73 HE3 TRP 10 3HE TRP 10 -5.958 -3.549 -1.702
74 HZ2 TRP 10 2HZ TRP 10 -6.203 -2.710 3.195
75 HZ3 TRP 10 3HZ TRP 10 -8.034 -4.093 -0.451
76 HH2 TRP 10 HH TRP 10 -8.171 -3.651 1.987
77 QB TRP 10 QB TRP 10 -3.010 -2.614 -2.263
78 H ARG 11 H ARG 11 -5.192 0.088 -2.693
79 HA ARG 11 HA ARG 11 -6.657 1.662 -1.812
80 1HB ARG 11 1HB ARG 11 -6.467 -0.458 -0.251
81 2HB ARG 11 2HB ARG 11 -5.799 0.653 0.912
82 1HG ARG 11 1HG ARG 11 -7.858 1.388 1.462
83 2HG ARG 11 2HG ARG 11 -8.230 1.829 -0.202
84 1HD ARG 11 1HD ARG 11 -8.488 -0.969 0.989
85 2HD ARG 11 2HD ARG 11 -9.828 0.134 0.734
86 HE ARG 11 HE ARG 11 -8.388 -1.449 -1.260
87 1HH1 ARG 11 2HH1 ARG 11 -9.193 -1.571 -3.347
88 2HH1 ARG 11 1HH1 ARG 11 -10.455 -0.509 -3.915
89 1HH2 ARG 11 2HH2 ARG 11 -10.725 1.239 -0.812
90 2HH2 ARG 11 1HH2 ARG 11 -11.409 1.051 -2.380
91 QB ARG 11 QB ARG 11 -6.133 0.098 0.331
92 QG ARG 11 QG ARG 11 -8.044 1.608 0.630
93 QD ARG 11 QD ARG 11 -9.158 -0.417 0.862
94 QH1 ARG 11 QH1 ARG 11 -9.824 -1.040 -3.631
95 QH2 ARG 11 QH2 ARG 11 -11.067 1.145 -1.596
96 H CYS 12 H CYS 12 -3.824 2.694 -2.150
97 HA CYS 12 HA CYS 12 -2.992 4.289 -0.018
98 1HB CYS 12 2HB CYS 12 -1.434 3.965 -1.712
99 2HB CYS 12 3HB CYS 12 -2.594 4.265 -2.998
100 QB CYS 12 QB CYS 12 -2.014 4.115 -2.355
No H/Q in entry = 100
Start of MODEL 12
1 1H GLY 1 2HN GLY 1 5.343 7.049 2.270
2 2H GLY 1 3HN GLY 1 6.201 7.499 3.605
3 3H GLY 1 1HN GLY 1 6.517 6.060 2.869
4 1HA GLY 1 1HA GLY 1 5.283 5.651 4.844
5 2HA GLY 1 2HA GLY 1 4.036 6.777 4.264
6 QA GLY 1 QA GLY 1 4.659 6.214 4.554
7 H CYS 2 H CYS 2 2.510 5.005 4.401
8 HA CYS 2 HA CYS 2 2.728 2.545 3.093
9 1HB CYS 2 1HB CYS 2 1.078 3.138 4.825
10 2HB CYS 2 2HB CYS 2 0.262 4.200 3.693
11 QB CYS 2 QB CYS 2 0.670 3.669 4.259
12 H CYS 3 H CYS 3 1.251 5.588 1.770
13 HA CYS 3 HA CYS 3 0.299 4.618 -0.642
14 1HB CYS 3 1HB CYS 3 1.394 7.286 0.194
15 2HB CYS 3 2HB CYS 3 1.065 6.976 -1.498
16 QB CYS 3 QB CYS 3 1.229 7.131 -0.652
17 H SER 4 H SER 4 3.741 5.395 0.031
18 HA SER 4 HA SER 4 4.383 4.637 -2.792
19 1HB SER 4 1HB SER 4 6.173 6.030 -0.784
20 2HB SER 4 2HB SER 4 6.446 5.794 -2.518
21 HG SER 4 HG SER 4 4.244 7.001 -2.594
22 QB SER 4 QB SER 4 6.310 5.912 -1.651
23 H ASP 5 H ASP 5 4.311 3.216 0.312
24 HA ASP 5 HA ASP 5 6.685 1.545 0.056
25 1HB ASP 5 1HB ASP 5 5.673 1.784 2.268
26 2HB ASP 5 2HB ASP 5 4.134 1.205 1.662
27 QB ASP 5 QB ASP 5 4.904 1.495 1.965
28 HA PRO 6 HA PRO 6 4.742 -0.218 -3.422
29 1HB PRO 6 1HB PRO 6 6.316 -2.434 -3.932
30 2HB PRO 6 2HB PRO 6 6.807 -0.735 -4.240
31 1HG PRO 6 1HG PRO 6 7.471 -2.430 -1.819
32 2HG PRO 6 2HG PRO 6 8.572 -1.416 -2.814
33 1HD PRO 6 1HD PRO 6 7.533 -0.507 -0.492
34 2HD PRO 6 2HD PRO 6 7.703 0.583 -1.904
35 QB PRO 6 QB PRO 6 6.561 -1.584 -4.086
36 QG PRO 6 QG PRO 6 8.021 -1.923 -2.316
37 QD PRO 6 QD PRO 6 7.618 0.038 -1.198
38 H ARG 7 H ARG 7 4.978 -1.999 -0.468
39 HA ARG 7 HA ARG 7 3.073 -4.066 -1.338
40 1HB ARG 7 1HB ARG 7 5.332 -4.448 -0.151
41 2HB ARG 7 2HB ARG 7 4.424 -3.970 1.281
42 1HG ARG 7 1HG ARG 7 2.894 -5.804 1.026
43 2HG ARG 7 2HG ARG 7 3.491 -6.150 -0.609
44 1HD ARG 7 1HD ARG 7 4.387 -7.820 0.916
45 2HD ARG 7 2HD ARG 7 5.687 -6.797 0.310
46 HE ARG 7 HE ARG 7 6.136 -6.129 2.406
47 1HH1 ARG 7 2HH1 ARG 7 5.996 -6.028 4.601
48 2HH1 ARG 7 1HH1 ARG 7 4.570 -6.504 5.492
49 1HH2 ARG 7 2HH2 ARG 7 2.880 -7.584 2.516
50 2HH2 ARG 7 1HH2 ARG 7 2.744 -7.433 4.246
51 QB ARG 7 QB ARG 7 4.878 -4.209 0.565
52 QG ARG 7 QG ARG 7 3.193 -5.977 0.208
53 QD ARG 7 QD ARG 7 5.037 -7.308 0.613
54 QH1 ARG 7 QH1 ARG 7 5.283 -6.266 5.046
55 QH2 ARG 7 QH2 ARG 7 2.812 -7.509 3.381
56 H CYS 8 H CYS 8 2.964 -1.011 -0.090
57 HA CYS 8 HA CYS 8 0.323 -1.411 1.135
58 1HB CYS 8 1HB CYS 8 2.503 -0.771 2.566
59 2HB CYS 8 2HB CYS 8 2.138 0.828 1.963
60 QB CYS 8 QB CYS 8 2.321 0.028 2.264
61 H ALA 9 H ALA 9 1.386 -0.608 -1.468
62 HA ALA 9 HA ALA 9 0.435 2.162 -1.910
63 1HB ALA 9 2HB ALA 9 2.345 1.284 -3.222
64 2HB ALA 9 3HB ALA 9 1.279 0.055 -3.951
65 3HB ALA 9 1HB ALA 9 1.010 1.783 -4.274
66 QB ALA 9 QB ALA 9 1.544 1.040 -3.816
67 H TRP 10 H TRP 10 -1.189 -0.918 -1.712
68 HA TRP 10 HA TRP 10 -3.387 -0.325 -3.390
69 1HB TRP 10 1HB TRP 10 -4.299 -2.150 -2.271
70 2HB TRP 10 2HB TRP 10 -2.635 -2.555 -2.479
71 HD1 TRP 10 HD TRP 10 -1.151 -2.735 -0.172
72 HE1 TRP 10 1HE TRP 10 -1.870 -3.145 2.285
73 HE3 TRP 10 3HE TRP 10 -6.150 -1.783 -0.595
74 HZ2 TRP 10 2HZ TRP 10 -4.266 -2.982 3.850
75 HZ3 TRP 10 3HZ TRP 10 -7.641 -1.945 1.387
76 HH2 TRP 10 HH TRP 10 -6.705 -2.534 3.610
77 QB TRP 10 QB TRP 10 -3.467 -2.353 -2.375
78 H ARG 11 H ARG 11 -5.361 0.520 -2.655
79 HA ARG 11 HA ARG 11 -6.497 2.370 -1.869
80 1HB ARG 11 1HB ARG 11 -6.891 0.344 -0.377
81 2HB ARG 11 2HB ARG 11 -5.799 1.096 0.786
82 1HG ARG 11 1HG ARG 11 -7.445 3.117 0.684
83 2HG ARG 11 2HG ARG 11 -8.517 2.040 -0.202
84 1HD ARG 11 1HD ARG 11 -9.067 0.849 1.662
85 2HD ARG 11 2HD ARG 11 -7.413 0.852 2.297
86 HE ARG 11 HE ARG 11 -8.021 3.412 2.672
87 1HH1 ARG 11 2HH1 ARG 11 -8.842 4.354 4.485
88 2HH1 ARG 11 1HH1 ARG 11 -9.986 3.531 5.499
89 1HH2 ARG 11 2HH2 ARG 11 -9.892 0.522 3.607
90 2HH2 ARG 11 1HH2 ARG 11 -10.567 1.326 5.002
91 QB ARG 11 QB ARG 11 -6.345 0.720 0.205
92 QG ARG 11 QG ARG 11 -7.981 2.579 0.241
93 QD ARG 11 QD ARG 11 -8.240 0.851 1.980
94 QH1 ARG 11 QH1 ARG 11 -9.414 3.943 4.992
95 QH2 ARG 11 QH2 ARG 11 -10.229 0.924 4.304
96 H CYS 12 H CYS 12 -3.715 3.193 -2.363
97 HA CYS 12 HA CYS 12 -2.696 4.843 -0.357
98 1HB CYS 12 2HB CYS 12 -1.532 4.635 -2.444
99 2HB CYS 12 3HB CYS 12 -2.893 5.337 -3.334
100 QB CYS 12 QB CYS 12 -2.213 4.986 -2.889
No H/Q in entry = 100
Start of MODEL 13
1 1H GLY 1 1HN GLY 1 6.923 5.365 3.040
2 2H GLY 1 2HN GLY 1 6.309 6.447 1.974
3 3H GLY 1 3HN GLY 1 6.981 6.984 3.376
4 1HA GLY 1 1HA GLY 1 5.230 6.011 4.665
5 2HA GLY 1 2HA GLY 1 4.573 7.075 3.402
6 QA GLY 1 QA GLY 1 4.902 6.543 4.034
7 H CYS 2 H CYS 2 2.870 5.139 4.401
8 HA CYS 2 HA CYS 2 2.995 2.592 3.229
9 1HB CYS 2 1HB CYS 2 1.432 3.211 5.011
10 2HB CYS 2 2HB CYS 2 0.552 4.257 3.907
11 QB CYS 2 QB CYS 2 0.992 3.734 4.459
12 H CYS 3 H CYS 3 1.184 5.468 1.918
13 HA CYS 3 HA CYS 3 0.433 4.214 -0.490
14 1HB CYS 3 1HB CYS 3 1.178 7.140 -0.219
15 2HB CYS 3 2HB CYS 3 0.070 6.420 -1.373
16 QB CYS 3 QB CYS 3 0.624 6.780 -0.796
17 H SER 4 H SER 4 3.621 5.337 0.452
18 HA SER 4 HA SER 4 4.655 5.649 -2.256
19 1HB SER 4 1HB SER 4 6.475 5.634 0.088
20 2HB SER 4 2HB SER 4 6.333 6.788 -1.238
21 HG SER 4 HG SER 4 5.049 7.992 -0.074
22 QB SER 4 QB SER 4 6.404 6.211 -0.575
23 H ASP 5 H ASP 5 4.076 2.961 -0.209
24 HA ASP 5 HA ASP 5 6.697 1.662 -0.691
25 1HB ASP 5 1HB ASP 5 6.104 1.981 1.638
26 2HB ASP 5 2HB ASP 5 4.501 1.302 1.382
27 QB ASP 5 QB ASP 5 5.302 1.642 1.510
28 HA PRO 6 HA PRO 6 4.438 -0.706 -3.569
29 1HB PRO 6 1HB PRO 6 6.065 -2.797 -4.170
30 2HB PRO 6 2HB PRO 6 6.483 -1.106 -4.573
31 1HG PRO 6 1HG PRO 6 7.391 -2.714 -2.161
32 2HG PRO 6 2HG PRO 6 8.398 -1.741 -3.281
33 1HD PRO 6 1HD PRO 6 7.510 -0.768 -0.898
34 2HD PRO 6 2HD PRO 6 7.655 0.286 -2.321
35 QB PRO 6 QB PRO 6 6.274 -1.952 -4.371
36 QG PRO 6 QG PRO 6 7.895 -2.227 -2.721
37 QD PRO 6 QD PRO 6 7.583 -0.241 -1.610
38 H ARG 7 H ARG 7 4.992 -2.022 -0.425
39 HA ARG 7 HA ARG 7 3.087 -4.213 -0.952
40 1HB ARG 7 1HB ARG 7 5.431 -4.303 0.469
41 2HB ARG 7 2HB ARG 7 4.254 -3.994 1.732
42 1HG ARG 7 1HG ARG 7 3.118 -6.047 0.035
43 2HG ARG 7 2HG ARG 7 4.817 -6.433 0.255
44 1HD ARG 7 1HD ARG 7 3.510 -7.544 1.936
45 2HD ARG 7 2HD ARG 7 4.515 -6.304 2.710
46 HE ARG 7 HE ARG 7 1.985 -5.171 2.061
47 1HH1 ARG 7 2HH1 ARG 7 0.431 -4.814 3.773
48 2HH1 ARG 7 1HH1 ARG 7 0.655 -5.582 5.303
49 1HH2 ARG 7 2HH2 ARG 7 3.539 -7.396 4.348
50 2HH2 ARG 7 1HH2 ARG 7 2.535 -6.940 5.689
51 QB ARG 7 QB ARG 7 4.842 -4.149 1.101
52 QG ARG 7 QG ARG 7 3.968 -6.240 0.145
53 QD ARG 7 QD ARG 7 4.012 -6.924 2.323
54 QH1 ARG 7 QH1 ARG 7 0.543 -5.198 4.538
55 QH2 ARG 7 QH2 ARG 7 3.037 -7.168 5.018
56 H CYS 8 H CYS 8 2.939 -1.033 -0.245
57 HA CYS 8 HA CYS 8 0.460 -1.327 1.278
58 1HB CYS 8 1HB CYS 8 2.756 -0.800 2.522
59 2HB CYS 8 2HB CYS 8 2.490 0.812 1.960
60 QB CYS 8 QB CYS 8 2.623 0.006 2.241
61 H ALA 9 H ALA 9 1.353 -0.553 -1.398
62 HA ALA 9 HA ALA 9 0.301 2.222 -1.753
63 1HB ALA 9 2HB ALA 9 1.452 0.302 -3.820
64 2HB ALA 9 3HB ALA 9 0.980 1.988 -4.115
65 3HB ALA 9 1HB ALA 9 2.319 1.636 -3.009
66 QB ALA 9 QB ALA 9 1.584 1.309 -3.648
67 H TRP 10 H TRP 10 -1.177 -0.899 -1.726
68 HA TRP 10 HA TRP 10 -3.311 -0.340 -3.472
69 1HB TRP 10 1HB TRP 10 -4.299 -2.055 -2.365
70 2HB TRP 10 2HB TRP 10 -2.646 -2.479 -2.156
71 HD1 TRP 10 HD TRP 10 -2.142 -0.648 0.539
72 HE1 TRP 10 1HE TRP 10 -3.158 -1.465 2.758
73 HE3 TRP 10 3HE TRP 10 -5.884 -3.614 -1.307
74 HZ2 TRP 10 2HZ TRP 10 -5.109 -3.406 3.601
75 HZ3 TRP 10 3HZ TRP 10 -7.272 -4.967 0.214
76 HH2 TRP 10 HH TRP 10 -6.859 -4.918 2.683
77 QB TRP 10 QB TRP 10 -3.472 -2.267 -2.261
78 H ARG 11 H ARG 11 -5.466 0.435 -2.733
79 HA ARG 11 HA ARG 11 -6.932 1.658 -1.569
80 1HB ARG 11 1HB ARG 11 -5.717 0.195 0.266
81 2HB ARG 11 2HB ARG 11 -5.085 1.744 0.824
82 1HG ARG 11 1HG ARG 11 -7.437 2.519 1.190
83 2HG ARG 11 2HG ARG 11 -8.006 0.916 0.653
84 1HD ARG 11 1HD ARG 11 -6.464 -0.102 2.410
85 2HD ARG 11 2HD ARG 11 -6.136 1.518 3.003
86 HE ARG 11 HE ARG 11 -8.702 0.007 3.124
87 1HH1 ARG 11 2HH1 ARG 11 -9.725 0.166 5.283
88 2HH1 ARG 11 1HH1 ARG 11 -9.257 1.523 6.274
89 1HH2 ARG 11 2HH2 ARG 11 -7.097 3.024 4.031
90 2HH2 ARG 11 1HH2 ARG 11 -7.972 3.225 5.494
91 QB ARG 11 QB ARG 11 -5.401 0.970 0.545
92 QG ARG 11 QG ARG 11 -7.721 1.718 0.921
93 QD ARG 11 QD ARG 11 -6.300 0.708 2.706
94 QH1 ARG 11 QH1 ARG 11 -9.491 0.845 5.779
95 QH2 ARG 11 QH2 ARG 11 -7.535 3.124 4.763
96 H CYS 12 H CYS 12 -3.886 3.036 -2.345
97 HA CYS 12 HA CYS 12 -4.880 5.742 -1.646
98 1HB CYS 12 2HB CYS 12 -3.255 4.741 0.053
99 2HB CYS 12 3HB CYS 12 -2.062 4.702 -1.249
100 QB CYS 12 QB CYS 12 -2.659 4.721 -0.598
No H/Q in entry = 100
Start of MODEL 14
1 1H GLY 1 2HN GLY 1 6.844 5.158 2.877
2 2H GLY 1 3HN GLY 1 7.092 6.373 3.975
3 3H GLY 1 1HN GLY 1 6.636 4.862 4.476
4 1HA GLY 1 1HA GLY 1 4.744 6.184 4.633
5 2HA GLY 1 2HA GLY 1 4.983 6.785 3.003
6 QA GLY 1 QA GLY 1 4.864 6.484 3.818
7 H CYS 2 H CYS 2 2.768 5.301 4.168
8 HA CYS 2 HA CYS 2 2.800 2.622 3.125
9 1HB CYS 2 1HB CYS 2 1.233 3.451 4.878
10 2HB CYS 2 2HB CYS 2 0.364 4.349 3.639
11 QB CYS 2 QB CYS 2 0.799 3.900 4.258
12 H CYS 3 H CYS 3 1.316 5.639 1.840
13 HA CYS 3 HA CYS 3 0.931 4.749 -0.865
14 1HB CYS 3 1HB CYS 3 1.230 7.423 0.521
15 2HB CYS 3 2HB CYS 3 0.908 7.306 -1.203
16 QB CYS 3 QB CYS 3 1.069 7.364 -0.341
17 H SER 4 H SER 4 3.867 4.686 0.541
18 HA SER 4 HA SER 4 5.291 5.747 -1.862
19 1HB SER 4 1HB SER 4 6.571 5.401 0.836
20 2HB SER 4 2HB SER 4 7.142 6.335 -0.542
21 HG SER 4 HG SER 4 6.307 7.594 1.193
22 QB SER 4 QB SER 4 6.857 5.868 0.147
23 H ASP 5 H ASP 5 4.347 2.844 -0.194
24 HA ASP 5 HA ASP 5 6.874 1.485 -1.058
25 1HB ASP 5 1HB ASP 5 6.758 1.698 1.387
26 2HB ASP 5 2HB ASP 5 5.130 0.994 1.384
27 QB ASP 5 QB ASP 5 5.944 1.346 1.386
28 HA PRO 6 HA PRO 6 3.849 -0.460 -3.576
29 1HB PRO 6 1HB PRO 6 5.189 -2.705 -4.495
30 2HB PRO 6 2HB PRO 6 5.525 -1.035 -5.041
31 1HG PRO 6 1HG PRO 6 6.941 -2.596 -2.874
32 2HG PRO 6 2HG PRO 6 7.673 -1.689 -4.245
33 1HD PRO 6 1HD PRO 6 7.467 -0.582 -1.788
34 2HD PRO 6 2HD PRO 6 7.126 0.405 -3.245
35 QB PRO 6 QB PRO 6 5.357 -1.870 -4.768
36 QG PRO 6 QG PRO 6 7.307 -2.143 -3.560
37 QD PRO 6 QD PRO 6 7.297 -0.089 -2.517
38 H ARG 7 H ARG 7 4.939 -2.041 -0.693
39 HA ARG 7 HA ARG 7 3.000 -4.220 -0.886
40 1HB ARG 7 1HB ARG 7 5.486 -4.105 0.216
41 2HB ARG 7 2HB ARG 7 4.501 -3.562 1.563
42 1HG ARG 7 1HG ARG 7 4.103 -5.674 2.087
43 2HG ARG 7 2HG ARG 7 3.134 -5.834 0.614
44 1HD ARG 7 1HD ARG 7 6.116 -6.405 0.935
45 2HD ARG 7 2HD ARG 7 4.822 -7.590 0.716
46 HE ARG 7 HE ARG 7 4.684 -5.845 -1.490
47 1HH1 ARG 7 2HH1 ARG 7 5.582 -6.223 -3.449
48 2HH1 ARG 7 1HH1 ARG 7 6.843 -7.414 -3.682
49 1HH2 ARG 7 2HH2 ARG 7 6.996 -8.260 -0.228
50 2HH2 ARG 7 1HH2 ARG 7 7.743 -8.501 -1.763
51 QB ARG 7 QB ARG 7 4.993 -3.834 0.890
52 QG ARG 7 QG ARG 7 3.618 -5.754 1.350
53 QD ARG 7 QD ARG 7 5.469 -6.997 0.826
54 QH1 ARG 7 QH1 ARG 7 6.212 -6.819 -3.566
55 QH2 ARG 7 QH2 ARG 7 7.370 -8.381 -0.995
56 H CYS 8 H CYS 8 2.951 -0.991 -0.115
57 HA CYS 8 HA CYS 8 0.520 -1.325 1.499
58 1HB CYS 8 1HB CYS 8 2.824 -0.607 2.638
59 2HB CYS 8 2HB CYS 8 2.453 0.951 1.973
60 QB CYS 8 QB CYS 8 2.638 0.172 2.305
61 H ALA 9 H ALA 9 1.237 -0.712 -1.268
62 HA ALA 9 HA ALA 9 0.400 2.099 -1.700
63 1HB ALA 9 1HB ALA 9 2.210 1.189 -3.083
64 2HB ALA 9 2HB ALA 9 1.100 -0.051 -3.736
65 3HB ALA 9 3HB ALA 9 0.824 1.668 -4.080
66 QB ALA 9 QB ALA 9 1.378 0.935 -3.633
67 H TRP 10 H TRP 10 -1.213 -1.146 -1.862
68 HA TRP 10 HA TRP 10 -3.291 -0.248 -3.545
69 1HB TRP 10 1HB TRP 10 -4.007 -2.273 -3.407
70 2HB TRP 10 2HB TRP 10 -2.547 -2.625 -2.591
71 HD1 TRP 10 HD TRP 10 -2.836 -2.556 0.284
72 HE1 TRP 10 1HE TRP 10 -4.772 -3.534 1.674
73 HE3 TRP 10 3HE TRP 10 -6.413 -2.728 -3.357
74 HZ2 TRP 10 2HZ TRP 10 -7.513 -4.369 1.209
75 HZ3 TRP 10 3HZ TRP 10 -8.692 -3.591 -2.850
76 HH2 TRP 10 HH TRP 10 -9.240 -4.422 -0.583
77 QB TRP 10 QB TRP 10 -3.277 -2.449 -2.999
78 H ARG 11 H ARG 11 -5.420 0.293 -2.981
79 HA ARG 11 HA ARG 11 -7.014 1.586 -2.062
80 1HB ARG 11 1HB ARG 11 -5.717 0.985 0.599
81 2HB ARG 11 2HB ARG 11 -7.113 2.034 0.416
82 1HG ARG 11 1HG ARG 11 -8.368 0.197 -0.680
83 2HG ARG 11 2HG ARG 11 -7.008 -0.891 -0.359
84 1HD ARG 11 1HD ARG 11 -8.677 0.612 1.708
85 2HD ARG 11 2HD ARG 11 -8.786 -1.106 1.306
86 HE ARG 11 HE ARG 11 -6.372 0.224 2.485
87 1HH1 ARG 11 2HH1 ARG 11 -4.991 -1.209 3.790
88 2HH1 ARG 11 1HH1 ARG 11 -5.527 -2.840 4.013
89 1HH2 ARG 11 2HH2 ARG 11 -8.768 -2.340 2.756
90 2HH2 ARG 11 1HH2 ARG 11 -7.764 -3.419 3.695
91 QB ARG 11 QB ARG 11 -6.415 1.510 0.508
92 QG ARG 11 QG ARG 11 -7.688 -0.347 -0.520
93 QD ARG 11 QD ARG 11 -8.732 -0.247 1.507
94 QH1 ARG 11 QH1 ARG 11 -5.259 -2.025 3.902
95 QH2 ARG 11 QH2 ARG 11 -8.266 -2.879 3.225
96 H CYS 12 H CYS 12 -3.749 2.593 -1.959
97 HA CYS 12 HA CYS 12 -4.203 5.258 -0.928
98 1HB CYS 12 2HB CYS 12 -1.911 4.168 -1.113
99 2HB CYS 12 3HB CYS 12 -2.068 4.303 -2.872
100 QB CYS 12 QB CYS 12 -1.990 4.235 -1.992
No H/Q in entry = 100
Start of MODEL 15
1 1H GLY 1 1HN GLY 1 6.491 5.892 3.382
2 2H GLY 1 2HN GLY 1 5.585 6.789 2.353
3 3H GLY 1 3HN GLY 1 6.227 7.496 3.696
4 1HA GLY 1 1HA GLY 1 4.839 6.242 5.133
5 2HA GLY 1 2HA GLY 1 3.845 7.038 3.896
6 QA GLY 1 QA GLY 1 4.342 6.640 4.514
7 H CYS 2 H CYS 2 2.270 5.286 4.415
8 HA CYS 2 HA CYS 2 2.760 2.558 3.568
9 1HB CYS 2 1HB CYS 2 0.958 3.005 5.086
10 2HB CYS 2 2HB CYS 2 0.284 4.231 4.026
11 QB CYS 2 QB CYS 2 0.621 3.618 4.556
12 H CYS 3 H CYS 3 0.793 5.121 2.040
13 HA CYS 3 HA CYS 3 0.107 3.995 -0.214
14 1HB CYS 3 1HB CYS 3 0.890 6.902 0.163
15 2HB CYS 3 2HB CYS 3 -0.060 6.304 -1.184
16 QB CYS 3 QB CYS 3 0.415 6.603 -0.510
17 H SER 4 H SER 4 3.444 4.687 0.132
18 HA SER 4 HA SER 4 3.843 4.586 -2.828
19 1HB SER 4 1HB SER 4 5.599 6.213 -0.990
20 2HB SER 4 2HB SER 4 5.486 6.269 -2.755
21 HG SER 4 HG SER 4 3.392 7.086 -2.567
22 QB SER 4 QB SER 4 5.542 6.241 -1.873
23 H ASP 5 H ASP 5 4.337 2.896 0.022
24 HA ASP 5 HA ASP 5 6.920 1.699 -0.825
25 1HB ASP 5 1HB ASP 5 6.598 1.969 1.600
26 2HB ASP 5 2HB ASP 5 5.023 1.153 1.510
27 QB ASP 5 QB ASP 5 5.811 1.561 1.555
28 HA PRO 6 HA PRO 6 4.348 -0.490 -3.520
29 1HB PRO 6 1HB PRO 6 5.712 -2.784 -4.200
30 2HB PRO 6 2HB PRO 6 6.197 -1.141 -4.711
31 1HG PRO 6 1HG PRO 6 7.223 -2.731 -2.340
32 2HG PRO 6 2HG PRO 6 8.174 -1.882 -3.600
33 1HD PRO 6 1HD PRO 6 7.672 -0.725 -1.220
34 2HD PRO 6 2HD PRO 6 7.614 0.249 -2.708
35 QB PRO 6 QB PRO 6 5.954 -1.963 -4.455
36 QG PRO 6 QG PRO 6 7.699 -2.307 -2.970
37 QD PRO 6 QD PRO 6 7.643 -0.238 -1.964
38 H ARG 7 H ARG 7 4.989 -2.033 -0.487
39 HA ARG 7 HA ARG 7 2.930 -4.094 -0.944
40 1HB ARG 7 1HB ARG 7 5.228 -4.449 0.135
41 2HB ARG 7 2HB ARG 7 4.473 -3.692 1.540
42 1HG ARG 7 1HG ARG 7 2.938 -5.452 1.837
43 2HG ARG 7 2HG ARG 7 3.064 -5.961 0.153
44 1HD ARG 7 1HD ARG 7 4.100 -7.619 1.567
45 2HD ARG 7 2HD ARG 7 5.292 -6.844 0.508
46 HE ARG 7 HE ARG 7 5.172 -5.572 3.097
47 1HH1 ARG 7 2HH1 ARG 7 6.985 -5.897 4.590
48 2HH1 ARG 7 1HH1 ARG 7 8.030 -7.232 4.359
49 1HH2 ARG 7 2HH2 ARG 7 6.484 -8.364 1.368
50 2HH2 ARG 7 1HH2 ARG 7 7.757 -8.665 2.513
51 QB ARG 7 QB ARG 7 4.851 -4.070 0.838
52 QG ARG 7 QG ARG 7 3.001 -5.707 0.995
53 QD ARG 7 QD ARG 7 4.696 -7.231 1.037
54 QH1 ARG 7 QH1 ARG 7 7.508 -6.564 4.475
55 QH2 ARG 7 QH2 ARG 7 7.120 -8.515 1.941
56 H CYS 8 H CYS 8 3.003 -0.910 -0.078
57 HA CYS 8 HA CYS 8 0.349 -1.113 1.173
58 1HB CYS 8 1HB CYS 8 2.399 -0.764 2.764
59 2HB CYS 8 2HB CYS 8 2.317 0.890 2.235
60 QB CYS 8 QB CYS 8 2.358 0.063 2.499
61 H ALA 9 H ALA 9 1.371 -0.557 -1.493
62 HA ALA 9 HA ALA 9 0.664 2.294 -1.960
63 1HB ALA 9 3HB ALA 9 1.568 0.109 -3.885
64 2HB ALA 9 1HB ALA 9 1.234 1.798 -4.319
65 3HB ALA 9 2HB ALA 9 2.584 1.424 -3.227
66 QB ALA 9 QB ALA 9 1.795 1.110 -3.810
67 H TRP 10 H TRP 10 -0.902 -0.803 -1.797
68 HA TRP 10 HA TRP 10 -3.150 -0.262 -3.407
69 1HB TRP 10 1HB TRP 10 -4.040 -2.034 -2.126
70 2HB TRP 10 2HB TRP 10 -2.370 -2.436 -2.260
71 HD1 TRP 10 HD TRP 10 -0.953 -2.419 -0.003
72 HE1 TRP 10 1HE TRP 10 -1.567 -2.309 2.491
73 HE3 TRP 10 3HE TRP 10 -5.921 -1.347 -0.464
74 HZ2 TRP 10 2HZ TRP 10 -3.944 -1.826 4.079
75 HZ3 TRP 10 3HZ TRP 10 -7.363 -1.134 1.546
76 HH2 TRP 10 HH TRP 10 -6.381 -1.350 3.819
77 QB TRP 10 QB TRP 10 -3.205 -2.235 -2.193
78 H ARG 11 H ARG 11 -5.252 0.396 -2.396
79 HA ARG 11 HA ARG 11 -6.607 1.754 -1.218
80 1HB ARG 11 1HB ARG 11 -4.883 1.039 0.777
81 2HB ARG 11 2HB ARG 11 -4.536 2.750 0.712
82 1HG ARG 11 1HG ARG 11 -6.943 3.234 1.134
83 2HG ARG 11 2HG ARG 11 -7.248 1.474 1.205
84 1HD ARG 11 1HD ARG 11 -5.455 1.338 3.005
85 2HD ARG 11 2HD ARG 11 -5.398 3.110 2.963
86 HE ARG 11 HE ARG 11 -8.016 1.826 3.485
87 1HH1 ARG 11 2HH1 ARG 11 -9.046 2.353 5.315
88 2HH1 ARG 11 1HH1 ARG 11 -8.338 3.307 6.602
89 1HH2 ARG 11 2HH2 ARG 11 -5.173 3.468 4.913
90 2HH2 ARG 11 1HH2 ARG 11 -6.081 4.050 6.281
91 QB ARG 11 QB ARG 11 -4.709 1.894 0.744
92 QG ARG 11 QG ARG 11 -7.096 2.354 1.169
93 QD ARG 11 QD ARG 11 -5.427 2.224 2.984
94 QH1 ARG 11 QH1 ARG 11 -8.692 2.830 5.959
95 QH2 ARG 11 QH2 ARG 11 -5.627 3.759 5.597
96 H CYS 12 H CYS 12 -3.561 2.981 -2.264
97 HA CYS 12 HA CYS 12 -4.796 5.652 -2.707
98 1HB CYS 12 2HB CYS 12 -1.992 5.915 -2.123
99 2HB CYS 12 3HB CYS 12 -3.364 6.772 -1.452
100 QB CYS 12 QB CYS 12 -2.678 6.344 -1.787
No H/Q in entry = 100
Start of MODEL 16
1 1H GLY 1 2HN GLY 1 4.995 7.982 2.563
2 2H GLY 1 3HN GLY 1 3.609 8.572 1.893
3 3H GLY 1 1HN GLY 1 4.260 9.294 3.234
4 1HA GLY 1 1HA GLY 1 3.812 7.399 4.582
5 2HA GLY 1 2HA GLY 1 2.330 7.955 3.781
6 QA GLY 1 QA GLY 1 3.071 7.677 4.181
7 H CYS 2 H CYS 2 1.488 5.767 4.016
8 HA CYS 2 HA CYS 2 2.676 3.408 3.350
9 1HB CYS 2 1HB CYS 2 0.062 4.271 3.981
10 2HB CYS 2 2HB CYS 2 -0.111 3.395 2.491
11 QB CYS 2 QB CYS 2 -0.024 3.833 3.236
12 H CYS 3 H CYS 3 1.098 5.620 0.978
13 HA CYS 3 HA CYS 3 1.031 3.994 -1.260
14 1HB CYS 3 1HB CYS 3 1.745 6.903 -0.908
15 2HB CYS 3 2HB CYS 3 1.672 6.176 -2.501
16 QB CYS 3 QB CYS 3 1.708 6.539 -1.704
17 H SER 4 H SER 4 3.942 5.347 0.254
18 HA SER 4 HA SER 4 5.621 4.869 -2.091
19 1HB SER 4 1HB SER 4 6.265 5.933 0.671
20 2HB SER 4 2HB SER 4 7.308 6.007 -0.768
21 HG SER 4 HG SER 4 5.210 7.089 -1.653
22 QB SER 4 QB SER 4 6.786 5.970 -0.048
23 H ASP 5 H ASP 5 4.517 2.931 0.503
24 HA ASP 5 HA ASP 5 6.778 1.018 0.278
25 1HB ASP 5 1HB ASP 5 5.930 0.956 2.493
26 2HB ASP 5 2HB ASP 5 4.259 1.143 1.962
27 QB ASP 5 QB ASP 5 5.095 1.050 2.228
28 HA PRO 6 HA PRO 6 4.354 -0.007 -3.365
29 1HB PRO 6 1HB PRO 6 5.601 -2.375 -4.129
30 2HB PRO 6 2HB PRO 6 6.202 -0.741 -4.494
31 1HG PRO 6 1HG PRO 6 7.005 -2.570 -2.228
32 2HG PRO 6 2HG PRO 6 8.067 -1.598 -3.303
33 1HD PRO 6 1HD PRO 6 7.403 -0.773 -0.808
34 2HD PRO 6 2HD PRO 6 7.516 0.407 -2.148
35 QB PRO 6 QB PRO 6 5.901 -1.558 -4.312
36 QG PRO 6 QG PRO 6 7.536 -2.084 -2.766
37 QD PRO 6 QD PRO 6 7.459 -0.183 -1.478
38 H ARG 7 H ARG 7 4.709 -2.123 -0.638
39 HA ARG 7 HA ARG 7 2.511 -3.894 -1.420
40 1HB ARG 7 1HB ARG 7 4.567 -4.458 0.019
41 2HB ARG 7 2HB ARG 7 3.640 -3.664 1.296
42 1HG ARG 7 1HG ARG 7 1.754 -5.366 0.654
43 2HG ARG 7 2HG ARG 7 3.039 -6.214 -0.216
44 1HD ARG 7 1HD ARG 7 2.905 -5.581 2.755
45 2HD ARG 7 2HD ARG 7 2.745 -7.174 1.995
46 HE ARG 7 HE ARG 7 5.281 -5.858 1.417
47 1HH1 ARG 7 2HH1 ARG 7 7.199 -6.782 2.299
48 2HH1 ARG 7 1HH1 ARG 7 7.120 -7.486 3.888
49 1HH2 ARG 7 2HH2 ARG 7 3.577 -7.637 3.988
50 2HH2 ARG 7 1HH2 ARG 7 5.009 -8.296 4.676
51 QB ARG 7 QB ARG 7 4.104 -4.061 0.657
52 QG ARG 7 QG ARG 7 2.396 -5.790 0.219
53 QD ARG 7 QD ARG 7 2.825 -6.378 2.375
54 QH1 ARG 7 QH1 ARG 7 7.160 -7.134 3.094
55 QH2 ARG 7 QH2 ARG 7 4.293 -7.966 4.332
56 H CYS 8 H CYS 8 2.710 -0.816 -0.188
57 HA CYS 8 HA CYS 8 -0.111 -0.802 0.619
58 1HB CYS 8 1HB CYS 8 1.741 -0.557 2.495
59 2HB CYS 8 2HB CYS 8 1.810 1.083 1.928
60 QB CYS 8 QB CYS 8 1.776 0.263 2.212
61 H ALA 9 H ALA 9 1.357 -0.240 -1.834
62 HA ALA 9 HA ALA 9 0.515 2.446 -2.618
63 1HB ALA 9 1HB ALA 9 0.758 -0.116 -4.260
64 2HB ALA 9 2HB ALA 9 0.502 1.524 -4.898
65 3HB ALA 9 3HB ALA 9 2.018 1.124 -4.052
66 QB ALA 9 QB ALA 9 1.092 0.844 -4.403
67 H TRP 10 H TRP 10 -0.956 -0.885 -2.858
68 HA TRP 10 HA TRP 10 -3.471 0.093 -3.540
69 1HB TRP 10 1HB TRP 10 -4.020 -2.007 -3.736
70 2HB TRP 10 2HB TRP 10 -2.345 -2.320 -3.503
71 HD1 TRP 10 HD TRP 10 -1.720 -2.836 -0.723
72 HE1 TRP 10 1HE TRP 10 -2.940 -4.516 0.796
73 HE3 TRP 10 3HE TRP 10 -6.175 -3.079 -3.223
74 HZ2 TRP 10 2HZ TRP 10 -5.515 -5.831 0.878
75 HZ3 TRP 10 3HZ TRP 10 -7.975 -4.582 -2.430
76 HH2 TRP 10 HH TRP 10 -7.678 -5.937 -0.381
77 QB TRP 10 QB TRP 10 -3.182 -2.163 -3.619
78 H ARG 11 H ARG 11 -5.288 0.346 -2.417
79 HA ARG 11 HA ARG 11 -6.516 1.514 -0.881
80 1HB ARG 11 1HB ARG 11 -5.424 -0.787 0.766
81 2HB ARG 11 2HB ARG 11 -6.681 0.293 1.371
82 1HG ARG 11 1HG ARG 11 -8.220 -0.300 -0.362
83 2HG ARG 11 2HG ARG 11 -6.987 -1.190 -1.260
84 1HD ARG 11 1HD ARG 11 -8.431 -2.754 -0.131
85 2HD ARG 11 2HD ARG 11 -6.810 -2.839 0.556
86 HE ARG 11 HE ARG 11 -9.275 -1.772 1.811
87 1HH1 ARG 11 2HH1 ARG 11 -9.372 -1.691 4.015
88 2HH1 ARG 11 1HH1 ARG 11 -7.960 -1.897 5.018
89 1HH2 ARG 11 2HH2 ARG 11 -5.784 -2.528 2.287
90 2HH2 ARG 11 1HH2 ARG 11 -5.986 -2.555 4.023
91 QB ARG 11 QB ARG 11 -6.053 -0.247 1.068
92 QG ARG 11 QG ARG 11 -7.604 -0.745 -0.811
93 QD ARG 11 QD ARG 11 -7.621 -2.796 0.212
94 QH1 ARG 11 QH1 ARG 11 -8.666 -1.794 4.517
95 QH2 ARG 11 QH2 ARG 11 -5.885 -2.541 3.155
96 H CYS 12 H CYS 12 -3.408 2.332 -0.913
97 HA CYS 12 HA CYS 12 -2.737 3.560 1.449
98 1HB CYS 12 2HB CYS 12 -1.441 3.675 -0.642
99 2HB CYS 12 3HB CYS 12 -2.702 4.663 -1.372
100 QB CYS 12 QB CYS 12 -2.071 4.169 -1.007
No H/Q in entry = 100
Start of MODEL 17
1 1H GLY 1 3HN GLY 1 4.461 7.991 2.960
2 2H GLY 1 1HN GLY 1 4.101 8.703 4.406
3 3H GLY 1 2HN GLY 1 4.863 7.244 4.353
4 1HA GLY 1 1HA GLY 1 2.579 6.916 4.932
5 2HA GLY 1 2HA GLY 1 2.119 7.803 3.464
6 QA GLY 1 QA GLY 1 2.349 7.359 4.198
7 H CYS 2 H CYS 2 1.013 5.352 3.664
8 HA CYS 2 HA CYS 2 2.634 3.181 2.906
9 1HB CYS 2 1HB CYS 2 -0.187 3.784 3.500
10 2HB CYS 2 2HB CYS 2 -0.006 2.603 2.252
11 QB CYS 2 QB CYS 2 -0.097 3.194 2.876
12 H CYS 3 H CYS 3 1.183 5.695 0.872
13 HA CYS 3 HA CYS 3 1.105 4.250 -1.579
14 1HB CYS 3 1HB CYS 3 1.635 7.176 -0.974
15 2HB CYS 3 2HB CYS 3 1.524 6.537 -2.596
16 QB CYS 3 QB CYS 3 1.580 6.856 -1.785
17 H SER 4 H SER 4 3.870 5.244 0.323
18 HA SER 4 HA SER 4 5.705 4.925 -1.988
19 1HB SER 4 1HB SER 4 6.199 5.999 0.808
20 2HB SER 4 2HB SER 4 7.329 6.033 -0.564
21 HG SER 4 HG SER 4 5.957 7.395 -1.663
22 QB SER 4 QB SER 4 6.764 6.016 0.122
23 H ASP 5 H ASP 5 4.272 2.896 0.226
24 HA ASP 5 HA ASP 5 6.649 1.114 0.285
25 1HB ASP 5 1HB ASP 5 5.552 1.116 2.440
26 2HB ASP 5 2HB ASP 5 3.977 0.928 1.704
27 QB ASP 5 QB ASP 5 4.765 1.022 2.072
28 HA PRO 6 HA PRO 6 4.436 0.015 -3.493
29 1HB PRO 6 1HB PRO 6 6.030 -2.014 -4.401
30 2HB PRO 6 2HB PRO 6 6.472 -0.275 -4.488
31 1HG PRO 6 1HG PRO 6 7.307 -2.266 -2.357
32 2HG PRO 6 2HG PRO 6 8.355 -1.172 -3.316
33 1HD PRO 6 1HD PRO 6 7.505 -0.488 -0.853
34 2HD PRO 6 2HD PRO 6 7.581 0.750 -2.133
35 QB PRO 6 QB PRO 6 6.251 -1.145 -4.444
36 QG PRO 6 QG PRO 6 7.831 -1.719 -2.836
37 QD PRO 6 QD PRO 6 7.543 0.131 -1.493
38 H ARG 7 H ARG 7 4.997 -1.919 -0.686
39 HA ARG 7 HA ARG 7 3.078 -3.998 -1.487
40 1HB ARG 7 1HB ARG 7 5.387 -4.276 -0.364
41 2HB ARG 7 2HB ARG 7 4.504 -3.849 1.092
42 1HG ARG 7 1HG ARG 7 3.256 -5.791 1.116
43 2HG ARG 7 2HG ARG 7 3.366 -6.011 -0.642
44 1HD ARG 7 1HD ARG 7 5.685 -6.395 1.290
45 2HD ARG 7 2HD ARG 7 4.674 -7.704 0.682
46 HE ARG 7 HE ARG 7 6.762 -6.234 -0.710
47 1HH1 ARG 7 2HH1 ARG 7 7.406 -7.003 -2.835
48 2HH1 ARG 7 1HH1 ARG 7 6.493 -8.219 -3.632
49 1HH2 ARG 7 2HH2 ARG 7 3.917 -8.321 -1.175
50 2HH2 ARG 7 1HH2 ARG 7 4.467 -8.972 -2.687
51 QB ARG 7 QB ARG 7 4.946 -4.062 0.364
52 QG ARG 7 QG ARG 7 3.311 -5.901 0.237
53 QD ARG 7 QD ARG 7 5.179 -7.050 0.986
54 QH1 ARG 7 QH1 ARG 7 6.950 -7.611 -3.233
55 QH2 ARG 7 QH2 ARG 7 4.192 -8.647 -1.931
56 H CYS 8 H CYS 8 2.845 -0.965 -0.198
57 HA CYS 8 HA CYS 8 0.264 -1.535 1.084
58 1HB CYS 8 1HB CYS 8 2.317 -0.676 2.605
59 2HB CYS 8 2HB CYS 8 1.846 0.867 1.927
60 QB CYS 8 QB CYS 8 2.081 0.095 2.266
61 H ALA 9 H ALA 9 1.245 -0.700 -1.534
62 HA ALA 9 HA ALA 9 0.637 2.088 -1.980
63 1HB ALA 9 2HB ALA 9 0.797 -0.269 -3.910
64 2HB ALA 9 3HB ALA 9 0.622 1.424 -4.411
65 3HB ALA 9 1HB ALA 9 2.084 0.912 -3.541
66 QB ALA 9 QB ALA 9 1.167 0.689 -3.954
67 H TRP 10 H TRP 10 -1.295 -0.973 -2.544
68 HA TRP 10 HA TRP 10 -3.518 0.484 -3.459
69 1HB TRP 10 1HB TRP 10 -4.404 -1.499 -3.785
70 2HB TRP 10 2HB TRP 10 -2.780 -2.020 -3.664
71 HD1 TRP 10 HD TRP 10 -2.475 -2.388 -0.537
72 HE1 TRP 10 1HE TRP 10 -3.757 -4.222 0.696
73 HE3 TRP 10 3HE TRP 10 -6.310 -3.018 -3.850
74 HZ2 TRP 10 2HZ TRP 10 -6.041 -5.948 0.163
75 HZ3 TRP 10 3HZ TRP 10 -8.007 -4.790 -3.493
76 HH2 TRP 10 HH TRP 10 -7.876 -6.253 -1.494
77 QB TRP 10 QB TRP 10 -3.592 -1.759 -3.725
78 H ARG 11 H ARG 11 -5.250 1.084 -2.535
79 HA ARG 11 HA ARG 11 -6.702 1.905 -1.133
80 1HB ARG 11 1HB ARG 11 -7.432 1.007 0.826
81 2HB ARG 11 2HB ARG 11 -7.002 -0.297 -0.233
82 1HG ARG 11 1HG ARG 11 -6.554 -0.701 2.156
83 2HG ARG 11 2HG ARG 11 -5.150 -0.932 1.136
84 1HD ARG 11 1HD ARG 11 -4.269 1.294 1.888
85 2HD ARG 11 2HD ARG 11 -5.735 1.528 2.854
86 HE ARG 11 HE ARG 11 -4.927 0.114 4.453
87 1HH1 ARG 11 2HH1 ARG 11 -3.243 -1.046 5.502
88 2HH1 ARG 11 1HH1 ARG 11 -2.014 -1.846 4.600
89 1HH2 ARG 11 2HH2 ARG 11 -2.958 -0.338 1.485
90 2HH2 ARG 11 1HH2 ARG 11 -1.874 -1.452 2.269
91 QB ARG 11 QB ARG 11 -7.217 0.355 0.296
92 QG ARG 11 QG ARG 11 -5.852 -0.817 1.646
93 QD ARG 11 QD ARG 11 -5.002 1.411 2.371
94 QH1 ARG 11 QH1 ARG 11 -2.628 -1.446 5.051
95 QH2 ARG 11 QH2 ARG 11 -2.416 -0.895 1.877
96 H CYS 12 H CYS 12 -3.491 2.555 -0.885
97 HA CYS 12 HA CYS 12 -3.868 4.855 0.909
98 1HB CYS 12 2HB CYS 12 -1.613 3.789 0.543
99 2HB CYS 12 3HB CYS 12 -1.744 4.229 -1.165
100 QB CYS 12 QB CYS 12 -1.678 4.009 -0.311
No H/Q in entry = 100
Start of MODEL 18
1 1H GLY 1 1HN GLY 1 4.651 7.675 3.532
2 2H GLY 1 2HN GLY 1 3.495 8.267 2.507
3 3H GLY 1 3HN GLY 1 3.659 8.894 4.019
4 1HA GLY 1 1HA GLY 1 2.946 6.850 5.013
5 2HA GLY 1 2HA GLY 1 1.739 7.461 3.870
6 QA GLY 1 QA GLY 1 2.343 7.155 4.441
7 H CYS 2 H CYS 2 1.331 4.961 4.261
8 HA CYS 2 HA CYS 2 2.926 2.956 3.200
9 1HB CYS 2 1HB CYS 2 0.238 3.295 4.235
10 2HB CYS 2 2HB CYS 2 0.164 2.309 2.805
11 QB CYS 2 QB CYS 2 0.201 2.802 3.520
12 H CYS 3 H CYS 3 0.811 5.241 1.457
13 HA CYS 3 HA CYS 3 0.350 3.945 -0.909
14 1HB CYS 3 1HB CYS 3 1.192 6.825 -0.763
15 2HB CYS 3 2HB CYS 3 -0.061 6.096 -1.769
16 QB CYS 3 QB CYS 3 0.566 6.460 -1.266
17 H SER 4 H SER 4 3.417 5.352 0.241
18 HA SER 4 HA SER 4 4.709 5.348 -2.362
19 1HB SER 4 1HB SER 4 5.859 5.527 0.460
20 2HB SER 4 2HB SER 4 6.682 5.946 -1.048
21 HG SER 4 HG SER 4 5.952 7.790 -0.138
22 QB SER 4 QB SER 4 6.270 5.737 -0.294
23 H ASP 5 H ASP 5 4.366 3.038 0.348
24 HA ASP 5 HA ASP 5 6.865 1.657 -0.206
25 1HB ASP 5 1HB ASP 5 6.073 1.625 2.064
26 2HB ASP 5 2HB ASP 5 4.493 1.009 1.573
27 QB ASP 5 QB ASP 5 5.283 1.317 1.818
28 HA PRO 6 HA PRO 6 4.877 -0.490 -3.541
29 1HB PRO 6 1HB PRO 6 6.784 -2.455 -4.086
30 2HB PRO 6 2HB PRO 6 6.839 -0.753 -4.644
31 1HG PRO 6 1HG PRO 6 8.198 -1.998 -2.262
32 2HG PRO 6 2HG PRO 6 8.888 -0.864 -3.469
33 1HD PRO 6 1HD PRO 6 8.034 0.004 -1.061
34 2HD PRO 6 2HD PRO 6 7.739 0.974 -2.526
35 QB PRO 6 QB PRO 6 6.812 -1.604 -4.365
36 QG PRO 6 QG PRO 6 8.543 -1.431 -2.866
37 QD PRO 6 QD PRO 6 7.887 0.489 -1.793
38 H ARG 7 H ARG 7 5.296 -1.931 -0.421
39 HA ARG 7 HA ARG 7 3.671 -4.263 -1.190
40 1HB ARG 7 1HB ARG 7 5.721 -3.669 0.800
41 2HB ARG 7 2HB ARG 7 4.260 -4.083 1.610
42 1HG ARG 7 1HG ARG 7 5.392 -6.153 1.318
43 2HG ARG 7 2HG ARG 7 4.168 -6.178 0.043
44 1HD ARG 7 1HD ARG 7 6.292 -6.879 -0.901
45 2HD ARG 7 2HD ARG 7 5.943 -5.271 -1.544
46 HE ARG 7 HE ARG 7 7.616 -4.313 -0.163
47 1HH1 ARG 7 2HH1 ARG 7 9.225 -4.296 1.402
48 2HH1 ARG 7 1HH1 ARG 7 9.912 -5.799 1.943
49 1HH2 ARG 7 2HH2 ARG 7 7.575 -7.834 0.259
50 2HH2 ARG 7 1HH2 ARG 7 8.732 -7.814 1.550
51 QB ARG 7 QB ARG 7 4.991 -3.876 1.205
52 QG ARG 7 QG ARG 7 4.780 -6.165 0.680
53 QD ARG 7 QD ARG 7 6.117 -6.075 -1.222
54 QH1 ARG 7 QH1 ARG 7 9.568 -5.047 1.673
55 QH2 ARG 7 QH2 ARG 7 8.154 -7.824 0.905
56 H CYS 8 H CYS 8 3.209 -1.089 -0.339
57 HA CYS 8 HA CYS 8 0.661 -1.661 0.999
58 1HB CYS 8 1HB CYS 8 2.793 -1.045 2.498
59 2HB CYS 8 2HB CYS 8 2.350 0.585 2.026
60 QB CYS 8 QB CYS 8 2.572 -0.230 2.262
61 H ALA 9 H ALA 9 1.573 -0.598 -1.567
62 HA ALA 9 HA ALA 9 0.178 1.987 -1.779
63 1HB ALA 9 2HB ALA 9 2.138 1.554 -3.189
64 2HB ALA 9 3HB ALA 9 1.249 0.239 -4.014
65 3HB ALA 9 1HB ALA 9 0.677 1.919 -4.137
66 QB ALA 9 QB ALA 9 1.355 1.237 -3.780
67 H TRP 10 H TRP 10 -1.554 0.312 -0.612
68 HA TRP 10 HA TRP 10 -3.496 -0.889 -2.326
69 1HB TRP 10 1HB TRP 10 -4.507 -1.325 -0.336
70 2HB TRP 10 2HB TRP 10 -2.847 -1.313 0.154
71 HD1 TRP 10 HD TRP 10 -2.308 1.676 0.831
72 HE1 TRP 10 1HE TRP 10 -3.616 3.015 2.496
73 HE3 TRP 10 3HE TRP 10 -6.552 -1.218 1.103
74 HZ2 TRP 10 2HZ TRP 10 -6.059 2.789 4.018
75 HZ3 TRP 10 3HZ TRP 10 -8.408 -0.496 2.582
76 HH2 TRP 10 HH TRP 10 -8.157 1.468 4.066
77 QB TRP 10 QB TRP 10 -3.677 -1.319 -0.091
78 H ARG 11 H ARG 11 -5.524 0.581 -0.795
79 HA ARG 11 HA ARG 11 -6.323 2.717 -2.556
80 1HB ARG 11 1HB ARG 11 -7.629 0.996 -1.029
81 2HB ARG 11 2HB ARG 11 -7.440 2.207 0.229
82 1HG ARG 11 1HG ARG 11 -8.725 3.830 -1.068
83 2HG ARG 11 2HG ARG 11 -8.686 2.791 -2.500
84 1HD ARG 11 1HD ARG 11 -10.075 2.134 0.129
85 2HD ARG 11 2HD ARG 11 -10.888 2.694 -1.330
86 HE ARG 11 HE ARG 11 -9.946 0.018 -0.711
87 1HH1 ARG 11 2HH1 ARG 11 -9.513 -1.536 -2.316
88 2HH1 ARG 11 1HH1 ARG 11 -9.884 -1.232 -3.981
89 1HH2 ARG 11 2HH2 ARG 11 -11.131 2.047 -3.373
90 2HH2 ARG 11 1HH2 ARG 11 -10.912 0.823 -4.578
91 QB ARG 11 QB ARG 11 -7.535 1.601 -0.400
92 QG ARG 11 QG ARG 11 -8.706 3.311 -1.784
93 QD ARG 11 QD ARG 11 -10.482 2.414 -0.600
94 QH1 ARG 11 QH1 ARG 11 -9.698 -1.384 -3.148
95 QH2 ARG 11 QH2 ARG 11 -11.022 1.435 -3.976
96 H CYS 12 H CYS 12 -3.647 3.237 -1.396
97 HA CYS 12 HA CYS 12 -2.398 4.587 -0.240
98 1HB CYS 12 2HB CYS 12 -3.000 5.895 -2.195
99 2HB CYS 12 3HB CYS 12 -4.357 6.621 -1.323
100 QB CYS 12 QB CYS 12 -3.678 6.258 -1.759
No H/Q in entry = 100
Start of MODEL 19
1 1H GLY 1 2HN GLY 1 5.135 7.754 4.076
2 2H GLY 1 3HN GLY 1 4.567 8.523 2.746
3 3H GLY 1 1HN GLY 1 4.424 9.233 4.227
4 1HA GLY 1 1HA GLY 1 2.901 7.572 4.963
5 2HA GLY 1 2HA GLY 1 2.327 8.329 3.457
6 QA GLY 1 QA GLY 1 2.614 7.950 4.210
7 H CYS 2 H CYS 2 1.191 5.979 3.899
8 HA CYS 2 HA CYS 2 2.823 3.698 3.482
9 1HB CYS 2 1HB CYS 2 0.214 4.056 4.278
10 2HB CYS 2 2HB CYS 2 0.003 3.317 2.699
11 QB CYS 2 QB CYS 2 0.108 3.686 3.488
12 H CYS 3 H CYS 3 1.287 5.817 1.005
13 HA CYS 3 HA CYS 3 1.227 3.818 -1.019
14 1HB CYS 3 1HB CYS 3 1.649 6.750 -1.538
15 2HB CYS 3 2HB CYS 3 0.810 5.584 -2.542
16 QB CYS 3 QB CYS 3 1.229 6.167 -2.040
17 H SER 4 H SER 4 3.979 5.524 0.307
18 HA SER 4 HA SER 4 5.648 5.227 -2.094
19 1HB SER 4 1HB SER 4 6.208 6.004 0.789
20 2HB SER 4 2HB SER 4 7.461 5.890 -0.461
21 HG SER 4 HG SER 4 6.708 7.552 -1.485
22 QB SER 4 QB SER 4 6.834 5.947 0.164
23 H ASP 5 H ASP 5 4.564 3.095 0.423
24 HA ASP 5 HA ASP 5 6.877 1.282 0.236
25 1HB ASP 5 1HB ASP 5 5.843 1.605 2.445
26 2HB ASP 5 2HB ASP 5 4.252 1.203 1.787
27 QB ASP 5 QB ASP 5 5.048 1.404 2.116
28 HA PRO 6 HA PRO 6 4.518 -0.139 -3.365
29 1HB PRO 6 1HB PRO 6 6.058 -2.401 -3.980
30 2HB PRO 6 2HB PRO 6 6.386 -0.738 -4.522
31 1HG PRO 6 1HG PRO 6 7.585 -2.240 -2.206
32 2HG PRO 6 2HG PRO 6 8.401 -1.145 -3.364
33 1HD PRO 6 1HD PRO 6 7.688 -0.368 -0.858
34 2HD PRO 6 2HD PRO 6 7.610 0.777 -2.221
35 QB PRO 6 QB PRO 6 6.222 -1.569 -4.251
36 QG PRO 6 QG PRO 6 7.993 -1.692 -2.785
37 QD PRO 6 QD PRO 6 7.649 0.204 -1.539
38 H ARG 7 H ARG 7 5.051 -1.870 -0.430
39 HA ARG 7 HA ARG 7 3.317 -4.132 -1.046
40 1HB ARG 7 1HB ARG 7 5.429 -3.819 0.504
41 2HB ARG 7 2HB ARG 7 4.202 -3.445 1.679
42 1HG ARG 7 1HG ARG 7 4.475 -6.023 0.057
43 2HG ARG 7 2HG ARG 7 5.095 -5.779 1.681
44 1HD ARG 7 1HD ARG 7 2.223 -6.055 0.813
45 2HD ARG 7 2HD ARG 7 3.154 -7.035 1.961
46 HE ARG 7 HE ARG 7 3.051 -4.383 2.955
47 1HH1 ARG 7 2HH1 ARG 7 1.418 -3.357 3.953
48 2HH1 ARG 7 1HH1 ARG 7 -0.079 -4.143 4.354
49 1HH2 ARG 7 2HH2 ARG 7 0.770 -7.110 2.547
50 2HH2 ARG 7 1HH2 ARG 7 -0.553 -6.164 3.193
51 QB ARG 7 QB ARG 7 4.815 -3.632 1.091
52 QG ARG 7 QG ARG 7 4.785 -5.901 0.869
53 QD ARG 7 QD ARG 7 2.688 -6.545 1.387
54 QH1 ARG 7 QH1 ARG 7 0.669 -3.750 4.153
55 QH2 ARG 7 QH2 ARG 7 0.109 -6.637 2.870
56 H CYS 8 H CYS 8 2.797 -0.946 -0.266
57 HA CYS 8 HA CYS 8 0.134 -1.434 0.904
58 1HB CYS 8 1HB CYS 8 2.198 -0.300 2.225
59 2HB CYS 8 2HB CYS 8 1.642 1.108 1.351
60 QB CYS 8 QB CYS 8 1.920 0.404 1.788
61 H ALA 9 H ALA 9 0.807 -1.107 -1.914
62 HA ALA 9 HA ALA 9 0.535 1.663 -2.700
63 1HB ALA 9 2HB ALA 9 1.578 -0.017 -4.152
64 2HB ALA 9 3HB ALA 9 0.011 -0.848 -4.348
65 3HB ALA 9 1HB ALA 9 0.221 0.803 -4.974
66 QB ALA 9 QB ALA 9 0.603 -0.020 -4.491
67 H TRP 10 H TRP 10 -1.886 -1.039 -3.255
68 HA TRP 10 HA TRP 10 -3.995 0.733 -3.747
69 1HB TRP 10 1HB TRP 10 -5.227 -1.241 -3.812
70 2HB TRP 10 2HB TRP 10 -3.699 -1.620 -4.510
71 HD1 TRP 10 HD TRP 10 -1.969 -2.963 -2.618
72 HE1 TRP 10 1HE TRP 10 -2.548 -4.822 -0.975
73 HE3 TRP 10 3HE TRP 10 -7.033 -2.300 -2.477
74 HZ2 TRP 10 2HZ TRP 10 -4.986 -6.029 0.105
75 HZ3 TRP 10 3HZ TRP 10 -8.464 -3.849 -1.186
76 HH2 TRP 10 HH TRP 10 -7.459 -5.745 0.061
77 QB TRP 10 QB TRP 10 -4.463 -1.430 -4.161
78 H ARG 11 H ARG 11 -5.553 1.401 -2.414
79 HA ARG 11 HA ARG 11 -6.347 2.379 -0.512
80 1HB ARG 11 1HB ARG 11 -7.057 -0.177 -0.540
81 2HB ARG 11 2HB ARG 11 -6.002 -0.292 0.869
82 1HG ARG 11 1HG ARG 11 -7.410 1.727 1.798
83 2HG ARG 11 2HG ARG 11 -8.514 1.368 0.466
84 1HD ARG 11 1HD ARG 11 -8.765 -0.958 1.347
85 2HD ARG 11 2HD ARG 11 -7.668 -0.554 2.678
86 HE ARG 11 HE ARG 11 -9.259 0.795 3.677
87 1HH1 ARG 11 2HH1 ARG 11 -11.146 2.043 3.691
88 2HH1 ARG 11 1HH1 ARG 11 -12.438 1.787 2.583
89 1HH2 ARG 11 2HH2 ARG 11 -10.677 -0.770 0.803
90 2HH2 ARG 11 1HH2 ARG 11 -12.131 0.169 0.844
91 QB ARG 11 QB ARG 11 -6.530 -0.234 0.164
92 QG ARG 11 QG ARG 11 -7.962 1.547 1.132
93 QD ARG 11 QD ARG 11 -8.217 -0.756 2.013
94 QH1 ARG 11 QH1 ARG 11 -11.792 1.915 3.137
95 QH2 ARG 11 QH2 ARG 11 -11.404 -0.301 0.823
96 H CYS 12 H CYS 12 -3.150 2.392 -0.633
97 HA CYS 12 HA CYS 12 -1.988 2.231 1.754
98 1HB CYS 12 2HB CYS 12 -1.130 4.707 1.352
99 2HB CYS 12 3HB CYS 12 -0.542 3.356 0.425
100 QB CYS 12 QB CYS 12 -0.836 4.031 0.889
No H/Q in entry = 100
Start of MODEL 20
1 1H GLY 1 2HN GLY 1 3.333 8.632 2.450
2 2H GLY 1 3HN GLY 1 3.359 9.322 3.951
3 3H GLY 1 1HN GLY 1 4.471 8.172 3.532
4 1HA GLY 1 1HA GLY 1 2.817 7.249 4.980
5 2HA GLY 1 2HA GLY 1 1.585 7.763 3.809
6 QA GLY 1 QA GLY 1 2.201 7.506 4.394
7 H CYS 2 H CYS 2 1.283 5.265 4.182
8 HA CYS 2 HA CYS 2 2.858 3.314 3.099
9 1HB CYS 2 1HB CYS 2 0.109 3.695 3.965
10 2HB CYS 2 2HB CYS 2 0.139 2.715 2.531
11 QB CYS 2 QB CYS 2 0.124 3.205 3.248
12 H CYS 3 H CYS 3 1.021 5.737 1.190
13 HA CYS 3 HA CYS 3 0.842 4.202 -1.186
14 1HB CYS 3 1HB CYS 3 1.339 7.186 -1.065
15 2HB CYS 3 2HB CYS 3 0.662 6.268 -2.396
16 QB CYS 3 QB CYS 3 1.001 6.727 -1.731
17 H SER 4 H SER 4 3.701 5.468 0.336
18 HA SER 4 HA SER 4 5.269 5.412 -2.141
19 1HB SER 4 1HB SER 4 5.460 7.020 -0.068
20 2HB SER 4 2HB SER 4 6.365 5.691 0.672
21 HG SER 4 HG SER 4 7.909 5.888 -0.855
22 QB SER 4 QB SER 4 5.912 6.355 0.302
23 H ASP 5 H ASP 5 4.188 3.025 0.140
24 HA ASP 5 HA ASP 5 6.691 1.453 -0.005
25 1HB ASP 5 1HB ASP 5 5.682 1.686 2.211
26 2HB ASP 5 2HB ASP 5 4.137 1.101 1.604
27 QB ASP 5 QB ASP 5 4.910 1.394 1.907
28 HA PRO 6 HA PRO 6 4.621 -0.528 -3.380
29 1HB PRO 6 1HB PRO 6 6.317 -2.600 -3.994
30 2HB PRO 6 2HB PRO 6 6.708 -0.880 -4.294
31 1HG PRO 6 1HG PRO 6 7.508 -2.571 -1.900
32 2HG PRO 6 2HG PRO 6 8.558 -1.545 -2.935
33 1HD PRO 6 1HD PRO 6 7.565 -0.631 -0.576
34 2HD PRO 6 2HD PRO 6 7.684 0.451 -1.999
35 QB PRO 6 QB PRO 6 6.513 -1.740 -4.144
36 QG PRO 6 QG PRO 6 8.033 -2.058 -2.418
37 QD PRO 6 QD PRO 6 7.625 -0.090 -1.288
38 H ARG 7 H ARG 7 4.885 -2.082 -0.296
39 HA ARG 7 HA ARG 7 3.144 -4.307 -1.117
40 1HB ARG 7 1HB ARG 7 5.211 -4.543 0.404
41 2HB ARG 7 2HB ARG 7 4.148 -3.824 1.616
42 1HG ARG 7 1HG ARG 7 2.549 -5.643 1.404
43 2HG ARG 7 2HG ARG 7 3.422 -6.282 0.010
44 1HD ARG 7 1HD ARG 7 3.988 -7.683 1.833
45 2HD ARG 7 2HD ARG 7 5.408 -6.675 1.526
46 HE ARG 7 HE ARG 7 3.582 -5.612 3.567
47 1HH1 ARG 7 2HH1 ARG 7 4.250 -5.603 5.754
48 2HH1 ARG 7 1HH1 ARG 7 5.555 -6.646 6.266
49 1HH2 ARG 7 2HH2 ARG 7 6.330 -7.815 3.042
50 2HH2 ARG 7 1HH2 ARG 7 6.728 -7.923 4.725
51 QB ARG 7 QB ARG 7 4.679 -4.183 1.010
52 QG ARG 7 QG ARG 7 2.986 -5.962 0.707
53 QD ARG 7 QD ARG 7 4.698 -7.179 1.680
54 QH1 ARG 7 QH1 ARG 7 4.903 -6.125 6.010
55 QH2 ARG 7 QH2 ARG 7 6.529 -7.869 3.883
56 H CYS 8 H CYS 8 2.894 -1.122 -0.234
57 HA CYS 8 HA CYS 8 0.218 -1.511 0.988
58 1HB CYS 8 1HB CYS 8 2.386 -0.702 2.396
59 2HB CYS 8 2HB CYS 8 1.911 0.838 1.721
60 QB CYS 8 QB CYS 8 2.149 0.068 2.058
61 H ALA 9 H ALA 9 1.079 -0.860 -1.725
62 HA ALA 9 HA ALA 9 0.768 1.986 -2.059
63 1HB ALA 9 2HB ALA 9 2.097 0.617 -3.605
64 2HB ALA 9 3HB ALA 9 0.589 -0.150 -4.208
65 3HB ALA 9 1HB ALA 9 0.862 1.595 -4.428
66 QB ALA 9 QB ALA 9 1.183 0.687 -4.080
67 H TRP 10 H TRP 10 -1.488 -0.766 -3.066
68 HA TRP 10 HA TRP 10 -3.574 1.002 -3.715
69 1HB TRP 10 1HB TRP 10 -4.737 -0.933 -4.040
70 2HB TRP 10 2HB TRP 10 -3.141 -1.338 -4.524
71 HD1 TRP 10 HD TRP 10 -1.785 -3.006 -2.689
72 HE1 TRP 10 1HE TRP 10 -2.678 -4.757 -1.035
73 HE3 TRP 10 3HE TRP 10 -6.698 -1.581 -2.537
74 HZ2 TRP 10 2HZ TRP 10 -5.201 -5.537 0.047
75 HZ3 TRP 10 3HZ TRP 10 -8.330 -2.857 -1.151
76 HH2 TRP 10 HH TRP 10 -7.602 -4.855 0.112
77 QB TRP 10 QB TRP 10 -3.939 -1.135 -4.282
78 H ARG 11 H ARG 11 -5.138 1.665 -2.525
79 HA ARG 11 HA ARG 11 -6.165 2.562 -0.641
80 1HB ARG 11 1HB ARG 11 -6.960 0.088 -0.934
81 2HB ARG 11 2HB ARG 11 -5.990 -0.229 0.500
82 1HG ARG 11 1HG ARG 11 -7.454 1.762 1.532
83 2HG ARG 11 2HG ARG 11 -8.488 1.442 0.140
84 1HD ARG 11 1HD ARG 11 -9.423 0.098 1.804
85 2HD ARG 11 2HD ARG 11 -8.449 -1.047 0.891
86 HE ARG 11 HE ARG 11 -7.874 0.183 3.530
87 1HH1 ARG 11 2HH1 ARG 11 -6.347 -0.936 4.922
88 2HH1 ARG 11 1HH1 ARG 11 -5.602 -2.418 4.341
89 1HH2 ARG 11 2HH2 ARG 11 -6.957 -2.340 1.138
90 2HH2 ARG 11 1HH2 ARG 11 -5.869 -3.123 2.244
91 QB ARG 11 QB ARG 11 -6.475 -0.071 -0.217
92 QG ARG 11 QG ARG 11 -7.971 1.602 0.836
93 QD ARG 11 QD ARG 11 -8.936 -0.475 1.347
94 QH1 ARG 11 QH1 ARG 11 -5.975 -1.677 4.632
95 QH2 ARG 11 QH2 ARG 11 -6.413 -2.732 1.691
96 H CYS 12 H CYS 12 -3.165 2.670 -0.613
97 HA CYS 12 HA CYS 12 -1.924 2.249 1.673
98 1HB CYS 12 2HB CYS 12 -1.122 4.762 1.347
99 2HB CYS 12 3HB CYS 12 -0.651 3.448 0.282
100 QB CYS 12 QB CYS 12 -0.886 4.105 0.815
No H/Q in entry = 100
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