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 |
|
|
3790 |
1e76   |
4847 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 4.820 -16.974 4.801
2 H2 GLY 1 H2 GLY 1 4.448 -16.758 3.218
3 H3 GLY 1 H3 GLY 1 4.821 -18.267 3.783
4 1HA GLY 1 2HA GLY 1 6.658 -17.311 2.543
5 2HA GLY 1 1HA GLY 1 7.055 -17.614 4.251
6 H CYS 2 H CYS 2 7.627 -15.428 1.966
7 HA CYS 2 HA CYS 2 6.829 -13.021 3.506
8 1HB CYS 2 1HB CYS 2 9.214 -13.601 4.083
9 2HB CYS 2 2HB CYS 2 9.652 -13.269 2.405
10 H CYS 3 H CYS 3 8.046 -14.332 0.331
11 HA CYS 3 HA CYS 3 7.317 -12.014 -1.141
12 1HB CYS 3 1HB CYS 3 7.036 -13.673 -3.052
13 2HB CYS 3 2HB CYS 3 8.613 -13.424 -2.348
14 H SER 4 H SER 4 5.354 -14.438 0.389
15 HA SER 4 HA SER 4 2.873 -14.079 -0.890
16 1HB SER 4 1HB SER 4 2.164 -14.962 1.440
17 2HB SER 4 2HB SER 4 3.294 -15.944 0.509
18 HG SER 4 HG SER 4 3.749 -14.300 2.760
19 H ASN 5 H ASN 5 4.684 -11.671 0.529
20 HA ASN 5 HA ASN 5 2.339 -10.043 1.283
21 1HB ASN 5 1HB ASN 5 3.613 -10.920 3.261
22 2HB ASN 5 2HB ASN 5 5.074 -10.171 2.649
23 2HD2 ASN 5 2HD2 ASN 5 5.475 -8.245 3.588
24 1HD2 ASN 5 1HD2 ASN 5 4.253 -7.100 4.124
25 HA PRO 6 HA PRO 6 4.480 -7.917 -1.928
26 1HB PRO 6 1HB PRO 6 3.017 -5.582 -2.204
27 2HB PRO 6 2HB PRO 6 2.343 -7.185 -2.600
28 1HG PRO 6 2HG PRO 6 2.039 -5.627 -0.025
29 2HG PRO 6 1HG PRO 6 0.760 -6.438 -0.986
30 1HD PRO 6 1HD PRO 6 1.911 -7.604 1.197
31 2HD PRO 6 2HD PRO 6 1.410 -8.579 -0.208
32 H ARG 7 H ARG 7 5.306 -7.391 0.822
33 HA ARG 7 HA ARG 7 6.867 -4.883 0.478
34 1HB ARG 7 1HB ARG 7 5.375 -5.385 2.601
35 2HB ARG 7 2HB ARG 7 6.748 -6.393 3.077
36 1HG ARG 7 1HG ARG 7 8.188 -4.256 2.787
37 2HG ARG 7 2HG ARG 7 6.663 -3.392 2.557
38 1HD ARG 7 2HD ARG 7 7.254 -3.134 4.857
39 2HD ARG 7 1HD ARG 7 5.915 -4.252 4.828
40 HE ARG 7 HE ARG 7 8.809 -4.847 5.251
41 1HH1 ARG 7 1HH1 ARG 7 9.437 -6.778 6.050
42 2HH1 ARG 7 2HH1 ARG 7 8.323 -8.040 6.485
43 1HH2 ARG 7 1HH2 ARG 7 5.449 -6.016 5.652
44 2HH2 ARG 7 2HH2 ARG 7 5.936 -7.575 6.220
45 H CYS 8 H CYS 8 7.148 -8.024 -0.352
46 HA CYS 8 HA CYS 8 10.011 -8.284 0.406
47 1HB CYS 8 1HB CYS 8 7.851 -9.723 1.463
48 2HB CYS 8 2HB CYS 8 8.564 -10.810 0.283
49 H ALA 9 H ALA 9 8.724 -7.360 -2.108
50 HA ALA 9 HA ALA 9 8.667 -9.243 -4.102
51 1HB ALA 9 1HB ALA 9 7.999 -6.846 -4.267
52 2HB ALA 9 3HB ALA 9 8.979 -7.391 -5.632
53 3HB ALA 9 2HB ALA 9 9.707 -6.397 -4.341
54 H TRP 10 H TRP 10 11.555 -7.659 -2.811
55 HA TRP 10 HA TRP 10 13.365 -8.202 -4.773
56 1HB TRP 10 1HB TRP 10 13.558 -7.875 -1.752
57 2HB TRP 10 2HB TRP 10 14.936 -7.964 -2.797
58 HD1 TRP 10 HD1 TRP 10 12.256 -5.918 -4.373
59 HE1 TRP 10 HE1 TRP 10 12.667 -3.439 -4.064
60 HE3 TRP 10 HE3 TRP 10 16.107 -6.179 -1.028
61 HZ2 TRP 10 HZ2 TRP 10 14.478 -1.735 -2.563
62 HZ3 TRP 10 HZ3 TRP 10 17.111 -4.101 -0.105
63 HH2 TRP 10 HH2 TRP 10 16.287 -1.875 -0.850
64 H ARG 11 H ARG 11 12.406 -10.418 -2.048
65 HA ARG 11 HA ARG 11 13.809 -12.667 -3.183
66 1HB ARG 11 1HB ARG 11 15.510 -12.825 -1.390
67 2HB ARG 11 2HB ARG 11 15.811 -11.459 -2.451
68 1HG ARG 11 1HG ARG 11 14.838 -9.928 -0.692
69 2HG ARG 11 2HG ARG 11 14.596 -11.337 0.347
70 1HD ARG 11 1HD ARG 11 16.659 -11.060 1.143
71 2HD ARG 11 2HD ARG 11 17.280 -11.568 -0.412
72 HE ARG 11 HE ARG 11 17.755 -9.393 -1.033
73 1HH1 ARG 11 1HH1 ARG 11 18.464 -7.246 -0.495
74 2HH1 ARG 11 2HH1 ARG 11 18.380 -6.732 1.148
75 1HH2 ARG 11 1HH2 ARG 11 16.427 -9.477 2.273
76 2HH2 ARG 11 2HH2 ARG 11 17.123 -7.962 2.718
77 H CYS 12 H CYS 12 13.473 -14.570 -1.902
78 HA CYS 12 HA CYS 12 11.556 -14.321 0.338
79 1HB CYS 12 1HB CYS 12 10.512 -14.374 -2.005
80 2HB CYS 12 2HB CYS 12 11.135 -16.016 -2.149
No H/Q in entry = 80
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 3.567 -15.733 1.835
2 H2 GLY 1 H2 GLY 1 2.676 -16.405 3.051
3 H3 GLY 1 H3 GLY 1 2.367 -14.865 2.532
4 1HA GLY 1 2HA GLY 1 4.737 -15.784 3.961
5 2HA GLY 1 1HA GLY 1 3.463 -14.719 4.587
6 H CYS 2 H CYS 2 6.096 -13.958 4.681
7 HA CYS 2 HA CYS 2 6.335 -11.420 3.727
8 1HB CYS 2 1HB CYS 2 7.819 -12.944 5.275
9 2HB CYS 2 2HB CYS 2 8.694 -13.326 3.814
10 H CYS 3 H CYS 3 7.445 -14.404 2.014
11 HA CYS 3 HA CYS 3 8.717 -12.988 -0.094
12 1HB CYS 3 2HB CYS 3 7.658 -15.841 -0.022
13 2HB CYS 3 1HB CYS 3 8.823 -15.185 -1.168
14 H SER 4 H SER 4 5.281 -14.043 0.230
15 HA SER 4 HA SER 4 4.806 -13.533 -2.606
16 1HB SER 4 1HB SER 4 2.477 -14.221 -1.935
17 2HB SER 4 2HB SER 4 3.729 -15.455 -1.711
18 HG SER 4 HG SER 4 2.046 -14.719 0.038
19 H ASN 5 H ASN 5 4.618 -12.032 0.392
20 HA ASN 5 HA ASN 5 2.605 -10.022 -0.279
21 1HB ASN 5 1HB ASN 5 2.916 -10.964 2.032
22 2HB ASN 5 2HB ASN 5 4.519 -10.226 2.097
23 2HD2 ASN 5 2HD2 ASN 5 1.035 -9.561 2.010
24 1HD2 ASN 5 1HD2 ASN 5 1.145 -7.911 2.579
25 HA PRO 6 HA PRO 6 5.715 -7.390 -1.965
26 1HB PRO 6 1HB PRO 6 4.394 -5.003 -2.370
27 2HB PRO 6 2HB PRO 6 4.058 -6.496 -3.291
28 1HG PRO 6 2HG PRO 6 2.603 -5.446 -0.851
29 2HG PRO 6 1HG PRO 6 1.915 -6.063 -2.388
30 1HD PRO 6 1HD PRO 6 2.116 -7.589 -0.145
31 2HD PRO 6 2HD PRO 6 2.264 -8.278 -1.785
32 H ARG 7 H ARG 7 5.384 -7.497 0.935
33 HA ARG 7 HA ARG 7 6.983 -5.188 1.860
34 1HB ARG 7 1HB ARG 7 5.469 -6.430 3.422
35 2HB ARG 7 2HB ARG 7 6.433 -7.878 3.216
36 1HG ARG 7 1HG ARG 7 8.389 -6.779 4.219
37 2HG ARG 7 2HG ARG 7 7.555 -5.227 4.248
38 1HD ARG 7 1HD ARG 7 6.725 -7.704 5.826
39 2HD ARG 7 2HD ARG 7 7.625 -6.325 6.462
40 HE ARG 7 HE ARG 7 5.066 -5.693 5.175
41 1HH1 ARG 7 1HH1 ARG 7 3.319 -4.920 6.395
42 2HH1 ARG 7 2HH1 ARG 7 3.460 -4.678 8.086
43 1HH2 ARG 7 1HH2 ARG 7 6.673 -6.212 8.347
44 2HH2 ARG 7 2HH2 ARG 7 5.364 -5.468 9.220
45 H CYS 8 H CYS 8 7.332 -8.631 0.842
46 HA CYS 8 HA CYS 8 10.259 -8.240 0.668
47 1HB CYS 8 2HB CYS 8 9.420 -10.912 1.544
48 2HB CYS 8 1HB CYS 8 10.706 -9.891 2.135
49 H ALA 9 H ALA 9 7.848 -8.638 -1.191
50 HA ALA 9 HA ALA 9 8.409 -10.995 -2.767
51 1HB ALA 9 1HB ALA 9 6.169 -9.919 -2.737
52 2HB ALA 9 2HB ALA 9 6.864 -8.496 -3.561
53 3HB ALA 9 3HB ALA 9 6.826 -10.070 -4.370
54 H TRP 10 H TRP 10 10.376 -8.258 -2.364
55 HA TRP 10 HA TRP 10 11.482 -7.758 -4.846
56 1HB TRP 10 1HB TRP 10 12.584 -8.191 -2.031
57 2HB TRP 10 2HB TRP 10 13.554 -7.661 -3.375
58 HD1 TRP 10 HD1 TRP 10 10.409 -5.755 -3.576
59 HE1 TRP 10 HE1 TRP 10 10.774 -3.386 -2.616
60 HE3 TRP 10 HE3 TRP 10 14.860 -6.533 -1.165
61 HZ2 TRP 10 HZ2 TRP 10 12.779 -2.014 -1.069
62 HZ3 TRP 10 HZ3 TRP 10 16.017 -4.659 -0.038
63 HH2 TRP 10 HH2 TRP 10 14.998 -2.397 0.000
64 H ARG 11 H ARG 11 12.176 -10.365 -2.487
65 HA ARG 11 HA ARG 11 13.333 -12.254 -4.339
66 1HB ARG 11 1HB ARG 11 15.691 -11.963 -3.587
67 2HB ARG 11 2HB ARG 11 15.108 -10.679 -4.614
68 1HG ARG 11 1HG ARG 11 15.421 -9.082 -3.066
69 2HG ARG 11 2HG ARG 11 14.725 -10.019 -1.749
70 1HD ARG 11 1HD ARG 11 17.499 -10.618 -2.826
71 2HD ARG 11 2HD ARG 11 17.215 -9.360 -1.626
72 HE ARG 11 HE ARG 11 15.979 -11.804 -0.787
73 1HH1 ARG 11 1HH1 ARG 11 16.893 -12.694 1.270
74 2HH1 ARG 11 2HH1 ARG 11 18.496 -12.194 1.682
75 1HH2 ARG 11 1HH2 ARG 11 19.294 -10.604 -1.318
76 2HH2 ARG 11 2HH2 ARG 11 19.894 -11.279 0.163
77 H CYS 12 H CYS 12 11.451 -12.793 -2.585
78 HA CYS 12 HA CYS 12 10.751 -13.693 -0.701
79 1HB CYS 12 1HB CYS 12 12.195 -15.415 -2.082
80 2HB CYS 12 2HB CYS 12 13.206 -15.423 -0.664
No H/Q in entry = 80
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 4.920 -16.305 3.297
2 H2 GLY 1 H2 GLY 1 3.506 -15.920 4.051
3 H3 GLY 1 H3 GLY 1 3.777 -15.460 2.484
4 1HA GLY 1 2HA GLY 1 5.229 -14.482 4.834
5 2HA GLY 1 1HA GLY 1 4.044 -13.566 3.885
6 H CYS 2 H CYS 2 6.214 -12.310 4.010
7 HA CYS 2 HA CYS 2 7.409 -11.047 2.669
8 1HB CYS 2 1HB CYS 2 8.885 -13.246 3.805
9 2HB CYS 2 2HB CYS 2 9.697 -12.627 2.376
10 H CYS 3 H CYS 3 8.174 -14.177 1.030
11 HA CYS 3 HA CYS 3 8.595 -13.048 -1.549
12 1HB CYS 3 1HB CYS 3 9.053 -15.457 -0.864
13 2HB CYS 3 2HB CYS 3 7.330 -15.743 -0.840
14 H SER 4 H SER 4 5.584 -14.432 -0.052
15 HA SER 4 HA SER 4 3.948 -13.519 -2.288
16 1HB SER 4 1HB SER 4 2.162 -14.625 -0.784
17 2HB SER 4 2HB SER 4 3.354 -15.603 -1.637
18 HG SER 4 HG SER 4 3.279 -16.399 0.309
19 H ASN 5 H ASN 5 5.222 -11.723 0.140
20 HA ASN 5 HA ASN 5 2.677 -10.322 0.818
21 1HB ASN 5 1HB ASN 5 3.874 -11.336 2.739
22 2HB ASN 5 2HB ASN 5 5.297 -10.349 2.347
23 2HD2 ASN 5 2HD2 ASN 5 2.069 -10.356 3.736
24 1HD2 ASN 5 1HD2 ASN 5 2.075 -8.685 4.259
25 HA PRO 6 HA PRO 6 4.613 -7.233 -1.722
26 1HB PRO 6 1HB PRO 6 2.945 -5.085 -1.453
27 2HB PRO 6 2HB PRO 6 2.432 -6.614 -2.214
28 1HG PRO 6 2HG PRO 6 2.026 -5.774 0.674
29 2HG PRO 6 1HG PRO 6 0.794 -6.356 -0.495
30 1HD PRO 6 1HD PRO 6 2.003 -8.025 1.295
31 2HD PRO 6 2HD PRO 6 1.582 -8.589 -0.345
32 H ARG 7 H ARG 7 5.701 -7.597 0.946
33 HA ARG 7 HA ARG 7 6.995 -4.942 1.227
34 1HB ARG 7 1HB ARG 7 5.686 -5.523 3.246
35 2HB ARG 7 2HB ARG 7 6.735 -6.929 3.504
36 1HG ARG 7 1HG ARG 7 8.638 -5.573 3.962
37 2HG ARG 7 2HG ARG 7 7.961 -4.190 3.105
38 1HD ARG 7 1HD ARG 7 7.801 -3.483 5.228
39 2HD ARG 7 2HD ARG 7 6.171 -4.108 4.970
40 HE ARG 7 HE ARG 7 7.829 -6.161 6.086
41 1HH1 ARG 7 1HH1 ARG 7 7.939 -6.529 8.394
42 2HH1 ARG 7 2HH1 ARG 7 7.350 -5.318 9.474
43 1HH2 ARG 7 1HH2 ARG 7 6.370 -3.049 6.984
44 2HH2 ARG 7 2HH2 ARG 7 6.078 -3.485 8.635
45 H CYS 8 H CYS 8 7.470 -8.378 0.511
46 HA CYS 8 HA CYS 8 10.358 -7.781 0.267
47 1HB CYS 8 1HB CYS 8 9.816 -10.504 1.188
48 2HB CYS 8 2HB CYS 8 11.105 -9.414 1.618
49 H ALA 9 H ALA 9 7.992 -8.152 -1.633
50 HA ALA 9 HA ALA 9 8.032 -10.673 -2.726
51 1HB ALA 9 1HB ALA 9 6.347 -8.945 -3.227
52 2HB ALA 9 3HB ALA 9 7.538 -8.084 -4.242
53 3HB ALA 9 2HB ALA 9 6.976 -9.701 -4.704
54 H TRP 10 H TRP 10 10.530 -8.260 -3.221
55 HA TRP 10 HA TRP 10 11.974 -9.403 -5.393
56 1HB TRP 10 1HB TRP 10 12.536 -7.701 -2.948
57 2HB TRP 10 2HB TRP 10 13.841 -8.360 -3.896
58 HD1 TRP 10 HD1 TRP 10 11.091 -7.351 -6.178
59 HE1 TRP 10 HE1 TRP 10 11.881 -5.332 -7.533
60 HE3 TRP 10 HE3 TRP 10 14.988 -5.897 -3.235
61 HZ2 TRP 10 HZ2 TRP 10 13.960 -3.303 -7.347
62 HZ3 TRP 10 HZ3 TRP 10 16.404 -3.949 -3.864
63 HH2 TRP 10 HH2 TRP 10 15.919 -2.682 -5.933
64 H ARG 11 H ARG 11 12.888 -9.653 -1.920
65 HA ARG 11 HA ARG 11 14.292 -12.095 -2.404
66 1HB ARG 11 1HB ARG 11 14.921 -10.321 -0.730
67 2HB ARG 11 2HB ARG 11 13.576 -10.846 0.278
68 1HG ARG 11 2HG ARG 11 15.483 -12.000 1.137
69 2HG ARG 11 1HG ARG 11 14.629 -13.198 0.172
70 1HD ARG 11 1HD ARG 11 16.757 -13.553 -0.602
71 2HD ARG 11 2HD ARG 11 16.243 -12.375 -1.781
72 HE ARG 11 HE ARG 11 17.431 -10.638 -0.611
73 1HH1 ARG 11 1HH1 ARG 11 19.558 -10.137 0.052
74 2HH1 ARG 11 2HH1 ARG 11 20.477 -11.252 1.008
75 1HH2 ARG 11 1HH2 ARG 11 18.025 -13.819 0.870
76 2HH2 ARG 11 2HH2 ARG 11 19.658 -13.454 1.332
77 H CYS 12 H CYS 12 12.730 -13.464 -3.303
78 HA CYS 12 HA CYS 12 10.573 -14.445 -1.694
79 1HB CYS 12 1HB CYS 12 10.810 -14.651 -4.222
80 2HB CYS 12 2HB CYS 12 11.998 -15.924 -3.924
No H/Q in entry = 80
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 8.562 -16.135 4.875
2 H2 GLY 1 H2 GLY 1 7.107 -15.381 4.894
3 H3 GLY 1 H3 GLY 1 7.169 -17.025 4.840
4 1HA GLY 1 2HA GLY 1 6.595 -16.184 2.698
5 2HA GLY 1 1HA GLY 1 8.152 -17.000 2.682
6 H CYS 2 H CYS 2 6.748 -13.831 3.171
7 HA CYS 2 HA CYS 2 7.309 -11.734 2.724
8 1HB CYS 2 1HB CYS 2 9.826 -12.922 3.379
9 2HB CYS 2 2HB CYS 2 10.090 -11.790 2.078
10 H CYS 3 H CYS 3 8.890 -13.936 0.334
11 HA CYS 3 HA CYS 3 8.601 -12.406 -1.992
12 1HB CYS 3 1HB CYS 3 9.523 -14.662 -1.823
13 2HB CYS 3 2HB CYS 3 7.933 -15.341 -1.548
14 H SER 4 H SER 4 6.237 -14.296 -0.194
15 HA SER 4 HA SER 4 3.964 -13.820 -1.875
16 1HB SER 4 1HB SER 4 3.042 -15.130 0.295
17 2HB SER 4 2HB SER 4 3.935 -15.911 -1.004
18 HG SER 4 HG SER 4 4.784 -15.230 1.598
19 H ASN 5 H ASN 5 5.342 -11.374 -0.255
20 HA ASN 5 HA ASN 5 2.707 -10.254 0.279
21 1HB ASN 5 1HB ASN 5 3.678 -11.199 2.428
22 2HB ASN 5 2HB ASN 5 4.980 -10.012 2.307
23 2HD2 ASN 5 2HD2 ASN 5 1.397 -10.349 2.487
24 1HD2 ASN 5 1HD2 ASN 5 1.101 -8.718 3.026
25 HA PRO 6 HA PRO 6 4.923 -7.200 -1.937
26 1HB PRO 6 1HB PRO 6 3.218 -5.010 -1.925
27 2HB PRO 6 2HB PRO 6 2.862 -6.522 -2.804
28 1HG PRO 6 2HG PRO 6 1.961 -5.721 -0.020
29 2HG PRO 6 1HG PRO 6 0.960 -6.354 -1.363
30 1HD PRO 6 1HD PRO 6 1.899 -7.931 0.637
31 2HD PRO 6 2HD PRO 6 1.781 -8.571 -1.017
32 H ARG 7 H ARG 7 5.233 -7.268 0.968
33 HA ARG 7 HA ARG 7 6.467 -4.635 1.563
34 1HB ARG 7 1HB ARG 7 5.276 -5.574 3.410
35 2HB ARG 7 2HB ARG 7 6.061 -7.140 3.240
36 1HG ARG 7 1HG ARG 7 7.908 -6.527 4.377
37 2HG ARG 7 2HG ARG 7 7.971 -4.897 3.710
38 1HD ARG 7 1HD ARG 7 5.799 -5.610 5.683
39 2HD ARG 7 2HD ARG 7 7.443 -5.269 6.242
40 HE ARG 7 HE ARG 7 6.791 -3.211 4.454
41 1HH1 ARG 7 1HH1 ARG 7 6.739 -1.139 5.397
42 2HH1 ARG 7 2HH1 ARG 7 6.176 -0.885 7.012
43 1HH2 ARG 7 1HH2 ARG 7 5.396 -4.345 7.456
44 2HH2 ARG 7 2HH2 ARG 7 5.542 -2.866 8.346
45 H CYS 8 H CYS 8 7.304 -8.029 0.675
46 HA CYS 8 HA CYS 8 10.168 -7.195 0.494
47 1HB CYS 8 1HB CYS 8 10.196 -9.795 1.510
48 2HB CYS 8 2HB CYS 8 10.630 -8.332 2.329
49 H ALA 9 H ALA 9 7.935 -7.837 -1.460
50 HA ALA 9 HA ALA 9 7.794 -10.490 -2.164
51 1HB ALA 9 1HB ALA 9 6.134 -8.858 -2.770
52 2HB ALA 9 3HB ALA 9 7.256 -8.052 -3.887
53 3HB ALA 9 2HB ALA 9 6.674 -9.701 -4.219
54 H TRP 10 H TRP 10 10.518 -8.536 -2.878
55 HA TRP 10 HA TRP 10 11.579 -9.844 -5.184
56 1HB TRP 10 1HB TRP 10 12.625 -8.309 -2.765
57 2HB TRP 10 2HB TRP 10 13.680 -8.959 -3.998
58 HD1 TRP 10 HD1 TRP 10 10.907 -7.781 -5.911
59 HE1 TRP 10 HE1 TRP 10 11.268 -5.402 -6.829
60 HE3 TRP 10 HE3 TRP 10 14.720 -6.362 -2.840
61 HZ2 TRP 10 HZ2 TRP 10 12.949 -3.128 -6.177
62 HZ3 TRP 10 HZ3 TRP 10 15.660 -4.075 -2.969
63 HH2 TRP 10 HH2 TRP 10 14.787 -2.457 -4.655
64 H ARG 11 H ARG 11 12.097 -10.277 -1.617
65 HA ARG 11 HA ARG 11 14.145 -12.237 -2.029
66 1HB ARG 11 1HB ARG 11 13.951 -10.643 -0.102
67 2HB ARG 11 2HB ARG 11 12.575 -11.577 0.504
68 1HG ARG 11 1HG ARG 11 14.153 -13.610 0.567
69 2HG ARG 11 2HG ARG 11 15.462 -12.485 0.153
70 1HD ARG 11 1HD ARG 11 14.698 -11.104 2.188
71 2HD ARG 11 2HD ARG 11 13.716 -12.492 2.656
72 HE ARG 11 HE ARG 11 16.535 -12.082 2.923
73 1HH1 ARG 11 1HH1 ARG 11 17.967 -13.713 3.582
74 2HH1 ARG 11 2HH1 ARG 11 17.358 -15.233 4.136
75 1HH2 ARG 11 1HH2 ARG 11 14.096 -14.722 2.769
76 2HH2 ARG 11 2HH2 ARG 11 15.155 -15.817 3.627
77 H CYS 12 H CYS 12 13.629 -14.218 -2.934
78 HA CYS 12 HA CYS 12 11.258 -15.643 -1.865
79 1HB CYS 12 1HB CYS 12 10.854 -14.054 -3.914
80 2HB CYS 12 2HB CYS 12 11.853 -15.187 -4.813
No H/Q in entry = 80
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 8.807 -17.250 3.398
2 H2 GLY 1 H2 GLY 1 8.109 -16.818 4.821
3 H3 GLY 1 H3 GLY 1 7.630 -18.206 4.053
4 1HA GLY 1 2HA GLY 1 6.085 -16.271 3.819
5 2HA GLY 1 1HA GLY 1 6.598 -17.112 2.329
6 H CYS 2 H CYS 2 6.135 -14.088 3.469
7 HA CYS 2 HA CYS 2 6.846 -12.069 3.112
8 1HB CYS 2 1HB CYS 2 9.166 -13.388 3.943
9 2HB CYS 2 2HB CYS 2 9.667 -12.484 2.534
10 H CYS 3 H CYS 3 8.312 -14.214 0.553
11 HA CYS 3 HA CYS 3 7.949 -12.189 -1.512
12 1HB CYS 3 1HB CYS 3 8.343 -15.184 -1.570
13 2HB CYS 3 2HB CYS 3 7.672 -14.362 -2.966
14 H SER 4 H SER 4 5.779 -14.262 0.303
15 HA SER 4 HA SER 4 3.483 -14.039 -1.362
16 1HB SER 4 1HB SER 4 2.670 -14.510 1.225
17 2HB SER 4 2HB SER 4 3.045 -15.701 0.008
18 HG SER 4 HG SER 4 4.133 -16.171 1.872
19 H ASN 5 H ASN 5 5.126 -11.543 0.126
20 HA ASN 5 HA ASN 5 2.657 -9.967 0.600
21 1HB ASN 5 1HB ASN 5 3.496 -10.775 2.686
22 2HB ASN 5 2HB ASN 5 5.142 -10.186 2.355
23 2HD2 ASN 5 2HD2 ASN 5 4.249 -9.312 4.737
24 1HD2 ASN 5 1HD2 ASN 5 3.433 -7.762 4.659
25 HA PRO 6 HA PRO 6 5.175 -7.519 -2.136
26 1HB PRO 6 1HB PRO 6 3.613 -5.215 -2.396
27 2HB PRO 6 2HB PRO 6 3.300 -6.758 -3.239
28 1HG PRO 6 2HG PRO 6 2.056 -5.729 -0.688
29 2HG PRO 6 1HG PRO 6 1.258 -6.553 -2.064
30 1HD PRO 6 1HD PRO 6 1.949 -7.835 0.252
31 2HD PRO 6 2HD PRO 6 1.975 -8.692 -1.293
32 H ARG 7 H ARG 7 5.159 -7.231 0.776
33 HA ARG 7 HA ARG 7 6.752 -4.792 1.333
34 1HB ARG 7 1HB ARG 7 5.204 -5.654 3.057
35 2HB ARG 7 2HB ARG 7 6.056 -7.208 3.055
36 1HG ARG 7 1HG ARG 7 8.072 -6.149 3.946
37 2HG ARG 7 2HG ARG 7 7.281 -4.557 3.900
38 1HD ARG 7 1HD ARG 7 5.648 -5.259 5.561
39 2HD ARG 7 2HD ARG 7 6.194 -6.934 5.449
40 HE ARG 7 HE ARG 7 8.255 -6.381 6.504
41 1HH1 ARG 7 1HH1 ARG 7 9.219 -5.525 8.240
42 2HH1 ARG 7 2HH1 ARG 7 8.655 -4.096 9.045
43 1HH2 ARG 7 1HH2 ARG 7 6.061 -3.573 6.621
44 2HH2 ARG 7 2HH2 ARG 7 6.720 -3.011 8.134
45 H CYS 8 H CYS 8 7.241 -8.295 0.646
46 HA CYS 8 HA CYS 8 10.165 -7.848 0.644
47 1HB CYS 8 1HB CYS 8 9.777 -10.454 1.533
48 2HB CYS 8 2HB CYS 8 10.505 -9.104 2.369
49 H ALA 9 H ALA 9 7.989 -8.103 -1.444
50 HA ALA 9 HA ALA 9 8.160 -10.565 -2.779
51 1HB ALA 9 1HB ALA 9 6.396 -8.948 -3.160
52 2HB ALA 9 3HB ALA 9 7.558 -7.788 -3.866
53 3HB ALA 9 2HB ALA 9 7.196 -9.324 -4.680
54 H TRP 10 H TRP 10 10.759 -8.211 -2.560
55 HA TRP 10 HA TRP 10 11.979 -8.499 -5.058
56 1HB TRP 10 1HB TRP 10 12.969 -8.051 -2.212
57 2HB TRP 10 2HB TRP 10 13.978 -8.055 -3.617
58 HD1 TRP 10 HD1 TRP 10 10.771 -6.288 -4.328
59 HE1 TRP 10 HE1 TRP 10 11.095 -3.760 -4.282
60 HE3 TRP 10 HE3 TRP 10 15.492 -6.153 -2.413
61 HZ2 TRP 10 HZ2 TRP 10 13.187 -1.885 -3.468
62 HZ3 TRP 10 HZ3 TRP 10 16.679 -3.989 -2.106
63 HH2 TRP 10 HH2 TRP 10 15.517 -1.852 -2.618
64 H ARG 11 H ARG 11 12.262 -10.380 -1.994
65 HA ARG 11 HA ARG 11 13.264 -12.763 -3.283
66 1HB ARG 11 1HB ARG 11 15.108 -10.625 -3.143
67 2HB ARG 11 2HB ARG 11 15.451 -11.497 -1.678
68 1HG ARG 11 2HG ARG 11 16.735 -12.880 -2.925
69 2HG ARG 11 1HG ARG 11 15.257 -13.535 -3.600
70 1HD ARG 11 2HD ARG 11 16.282 -12.940 -5.562
71 2HD ARG 11 1HD ARG 11 15.455 -11.431 -5.248
72 HE ARG 11 HE ARG 11 17.469 -10.386 -4.930
73 1HH1 ARG 11 1HH1 ARG 11 19.741 -10.204 -5.262
74 2HH1 ARG 11 2HH1 ARG 11 20.733 -11.624 -5.227
75 1HH2 ARG 11 1HH2 ARG 11 18.055 -13.911 -4.878
76 2HH2 ARG 11 2HH2 ARG 11 19.695 -13.724 -5.394
77 H CYS 12 H CYS 12 11.409 -11.903 -1.127
78 HA CYS 12 HA CYS 12 10.515 -12.892 0.570
79 1HB CYS 12 2HB CYS 12 11.763 -15.481 0.371
80 2HB CYS 12 1HB CYS 12 10.096 -15.012 0.203
No H/Q in entry = 80
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 4.839 -15.738 6.551
2 H2 GLY 1 H2 GLY 1 5.216 -17.344 6.444
3 H3 GLY 1 H3 GLY 1 6.333 -16.265 6.993
4 1HA GLY 1 2HA GLY 1 5.268 -16.449 4.270
5 2HA GLY 1 1HA GLY 1 6.920 -16.827 4.798
6 H CYS 2 H CYS 2 7.071 -15.169 2.882
7 HA CYS 2 HA CYS 2 6.176 -12.507 3.440
8 1HB CYS 2 1HB CYS 2 8.596 -12.786 4.503
9 2HB CYS 2 2HB CYS 2 9.119 -12.526 2.843
10 H CYS 3 H CYS 3 7.542 -14.910 1.221
11 HA CYS 3 HA CYS 3 7.811 -13.202 -1.046
12 1HB CYS 3 1HB CYS 3 8.728 -15.434 -0.908
13 2HB CYS 3 2HB CYS 3 7.124 -16.153 -0.825
14 H SER 4 H SER 4 4.888 -14.580 0.446
15 HA SER 4 HA SER 4 3.115 -13.610 -1.663
16 1HB SER 4 1HB SER 4 1.451 -14.474 0.194
17 2HB SER 4 2HB SER 4 2.385 -15.601 -0.796
18 HG SER 4 HG SER 4 2.611 -16.253 1.299
19 H ASN 5 H ASN 5 4.863 -11.864 0.507
20 HA ASN 5 HA ASN 5 2.628 -10.158 1.443
21 1HB ASN 5 1HB ASN 5 4.127 -11.131 3.147
22 2HB ASN 5 2HB ASN 5 5.497 -10.263 2.425
23 2HD2 ASN 5 2HD2 ASN 5 4.061 -10.099 5.136
24 1HD2 ASN 5 1HD2 ASN 5 3.652 -8.398 5.303
25 HA PRO 6 HA PRO 6 4.238 -7.515 -1.855
26 1HB PRO 6 1HB PRO 6 2.449 -5.481 -1.749
27 2HB PRO 6 2HB PRO 6 1.990 -7.140 -2.211
28 1HG PRO 6 2HG PRO 6 1.760 -5.867 0.535
29 2HG PRO 6 1HG PRO 6 0.482 -6.701 -0.406
30 1HD PRO 6 1HD PRO 6 1.966 -7.969 1.491
31 2HD PRO 6 2HD PRO 6 1.426 -8.827 0.025
32 H ARG 7 H ARG 7 5.702 -7.500 0.598
33 HA ARG 7 HA ARG 7 6.834 -4.771 0.442
34 1HB ARG 7 1HB ARG 7 5.482 -5.097 2.523
35 2HB ARG 7 2HB ARG 7 6.566 -6.405 3.008
36 1HG ARG 7 1HG ARG 7 8.407 -4.868 3.242
37 2HG ARG 7 2HG ARG 7 7.514 -3.566 2.442
38 1HD ARG 7 1HD ARG 7 6.835 -4.829 5.136
39 2HD ARG 7 2HD ARG 7 7.699 -3.307 4.924
40 HE ARG 7 HE ARG 7 4.868 -3.742 4.856
41 1HH1 ARG 7 1HH1 ARG 7 3.401 -2.032 4.301
42 2HH1 ARG 7 2HH1 ARG 7 3.998 -0.607 3.538
43 1HH2 ARG 7 1HH2 ARG 7 7.399 -1.575 3.476
44 2HH2 ARG 7 2HH2 ARG 7 6.264 -0.305 3.203
45 H CYS 8 H CYS 8 7.263 -7.900 -0.418
46 HA CYS 8 HA CYS 8 10.081 -8.111 0.479
47 1HB CYS 8 1HB CYS 8 7.662 -9.682 1.097
48 2HB CYS 8 2HB CYS 8 8.984 -10.681 0.528
49 H ALA 9 H ALA 9 8.612 -7.688 -2.191
50 HA ALA 9 HA ALA 9 9.152 -9.936 -3.865
51 1HB ALA 9 1HB ALA 9 7.655 -8.134 -4.622
52 2HB ALA 9 3HB ALA 9 8.973 -8.315 -5.768
53 3HB ALA 9 2HB ALA 9 8.985 -6.978 -4.604
54 H TRP 10 H TRP 10 11.436 -7.689 -2.497
55 HA TRP 10 HA TRP 10 13.563 -7.694 -4.279
56 1HB TRP 10 1HB TRP 10 13.161 -7.683 -1.287
57 2HB TRP 10 2HB TRP 10 14.765 -7.858 -1.925
58 HD1 TRP 10 HD1 TRP 10 12.972 -5.512 -4.132
59 HE1 TRP 10 HE1 TRP 10 13.775 -3.140 -3.690
60 HE3 TRP 10 HE3 TRP 10 15.342 -6.262 0.352
61 HZ2 TRP 10 HZ2 TRP 10 15.047 -1.667 -1.548
62 HZ3 TRP 10 HZ3 TRP 10 16.313 -4.328 1.578
63 HH2 TRP 10 HH2 TRP 10 16.169 -2.038 0.644
64 H ARG 11 H ARG 11 12.298 -10.465 -2.417
65 HA ARG 11 HA ARG 11 13.984 -12.363 -3.789
66 1HB ARG 11 1HB ARG 11 15.079 -11.187 -1.338
67 2HB ARG 11 2HB ARG 11 14.581 -12.815 -0.977
68 1HG ARG 11 1HG ARG 11 16.830 -12.986 -1.559
69 2HG ARG 11 2HG ARG 11 15.959 -13.639 -2.951
70 1HD ARG 11 1HD ARG 11 16.319 -11.653 -4.217
71 2HD ARG 11 2HD ARG 11 16.826 -10.735 -2.779
72 HE ARG 11 HE ARG 11 18.619 -12.907 -3.326
73 1HH1 ARG 11 1HH1 ARG 11 20.622 -12.437 -4.467
74 2HH1 ARG 11 2HH1 ARG 11 20.905 -10.823 -5.059
75 1HH2 ARG 11 1HH2 ARG 11 17.756 -9.528 -4.202
76 2HH2 ARG 11 2HH2 ARG 11 19.191 -9.257 -5.113
77 H CYS 12 H CYS 12 12.449 -13.903 -4.007
78 HA CYS 12 HA CYS 12 10.488 -14.542 -1.909
79 1HB CYS 12 1HB CYS 12 10.206 -14.847 -4.477
80 2HB CYS 12 2HB CYS 12 11.350 -16.173 -4.317
No H/Q in entry = 80
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 4.357 -15.541 4.801
2 H2 GLY 1 H2 GLY 1 4.575 -17.131 5.180
3 H3 GLY 1 H3 GLY 1 5.297 -15.956 6.092
4 1HA GLY 1 2HA GLY 1 5.905 -16.600 3.304
5 2HA GLY 1 1HA GLY 1 6.926 -16.962 4.717
6 H CYS 2 H CYS 2 7.109 -15.058 2.221
7 HA CYS 2 HA CYS 2 6.790 -12.427 3.409
8 1HB CYS 2 1HB CYS 2 9.282 -13.544 3.803
9 2HB CYS 2 2HB CYS 2 9.524 -12.716 2.276
10 H CYS 3 H CYS 3 7.854 -14.391 0.520
11 HA CYS 3 HA CYS 3 7.288 -12.187 -1.316
12 1HB CYS 3 1HB CYS 3 7.681 -15.172 -1.716
13 2HB CYS 3 2HB CYS 3 7.151 -14.090 -2.994
14 H SER 4 H SER 4 5.360 -14.423 0.514
15 HA SER 4 HA SER 4 2.905 -14.270 -0.882
16 1HB SER 4 1HB SER 4 2.221 -14.766 1.656
17 2HB SER 4 2HB SER 4 3.051 -15.969 0.665
18 HG SER 4 HG SER 4 4.057 -14.421 2.792
19 H ASN 5 H ASN 5 4.688 -11.700 0.294
20 HA ASN 5 HA ASN 5 2.277 -10.035 0.755
21 1HB ASN 5 1HB ASN 5 3.330 -10.784 2.931
22 2HB ASN 5 2HB ASN 5 4.837 -10.018 2.426
23 2HD2 ASN 5 2HD2 ASN 5 1.450 -9.416 3.379
24 1HD2 ASN 5 1HD2 ASN 5 1.635 -7.686 3.565
25 HA PRO 6 HA PRO 6 4.581 -7.725 -2.093
26 1HB PRO 6 1HB PRO 6 3.478 -5.125 -1.993
27 2HB PRO 6 2HB PRO 6 2.702 -6.519 -2.792
28 1HG PRO 6 2HG PRO 6 2.258 -5.439 -0.004
29 2HG PRO 6 1HG PRO 6 1.035 -6.021 -1.173
30 1HD PRO 6 1HD PRO 6 1.923 -7.526 0.902
31 2HD PRO 6 2HD PRO 6 1.492 -8.284 -0.640
32 H ARG 7 H ARG 7 5.041 -7.206 0.762
33 HA ARG 7 HA ARG 7 6.848 -4.864 0.825
34 1HB ARG 7 1HB ARG 7 5.541 -5.399 2.811
35 2HB ARG 7 2HB ARG 7 6.424 -6.923 3.033
36 1HG ARG 7 1HG ARG 7 8.408 -5.830 3.664
37 2HG ARG 7 2HG ARG 7 7.954 -4.325 2.857
38 1HD ARG 7 1HD ARG 7 7.841 -3.906 5.163
39 2HD ARG 7 2HD ARG 7 6.180 -3.964 4.565
40 HE ARG 7 HE ARG 7 7.042 -6.526 5.589
41 1HH1 ARG 7 1HH1 ARG 7 6.280 -7.236 7.622
42 2HH1 ARG 7 2HH1 ARG 7 5.595 -6.121 8.758
43 1HH2 ARG 7 1HH2 ARG 7 6.032 -3.288 6.673
44 2HH2 ARG 7 2HH2 ARG 7 5.496 -3.805 8.227
45 H CYS 8 H CYS 8 7.308 -8.412 0.684
46 HA CYS 8 HA CYS 8 10.235 -7.967 0.732
47 1HB CYS 8 1HB CYS 8 9.278 -10.708 0.977
48 2HB CYS 8 2HB CYS 8 10.533 -9.849 1.859
49 H ALA 9 H ALA 9 8.327 -7.861 -1.655
50 HA ALA 9 HA ALA 9 8.553 -10.043 -3.322
51 1HB ALA 9 1HB ALA 9 7.095 -8.090 -3.739
52 2HB ALA 9 3HB ALA 9 8.523 -7.107 -4.151
53 3HB ALA 9 2HB ALA 9 8.059 -8.476 -5.173
54 H TRP 10 H TRP 10 11.152 -7.832 -2.589
55 HA TRP 10 HA TRP 10 12.843 -7.949 -4.747
56 1HB TRP 10 1HB TRP 10 13.190 -7.785 -1.716
57 2HB TRP 10 2HB TRP 10 14.520 -7.670 -2.832
58 HD1 TRP 10 HD1 TRP 10 11.567 -5.894 -4.243
59 HE1 TRP 10 HE1 TRP 10 12.021 -3.394 -4.230
60 HE3 TRP 10 HE3 TRP 10 15.551 -5.795 -1.015
61 HZ2 TRP 10 HZ2 TRP 10 14.059 -1.622 -3.259
62 HZ3 TRP 10 HZ3 TRP 10 16.779 -3.672 -0.628
63 HH2 TRP 10 HH2 TRP 10 16.073 -1.593 -1.774
64 H ARG 11 H ARG 11 12.537 -10.350 -2.116
65 HA ARG 11 HA ARG 11 13.634 -12.470 -3.685
66 1HB ARG 11 1HB ARG 11 15.717 -10.841 -2.976
67 2HB ARG 11 2HB ARG 11 15.552 -11.684 -1.452
68 1HG ARG 11 1HG ARG 11 15.771 -13.871 -2.858
69 2HG ARG 11 2HG ARG 11 16.229 -12.828 -4.189
70 1HD ARG 11 1HD ARG 11 17.622 -12.822 -1.483
71 2HD ARG 11 2HD ARG 11 18.115 -13.848 -2.840
72 HE ARG 11 HE ARG 11 18.072 -11.303 -3.917
73 1HH1 ARG 11 1HH1 ARG 11 20.052 -10.107 -4.208
74 2HH1 ARG 11 2HH1 ARG 11 21.490 -10.668 -3.415
75 1HH2 ARG 11 1HH2 ARG 11 19.863 -13.024 -1.351
76 2HH2 ARG 11 2HH2 ARG 11 21.398 -12.403 -1.861
77 H CYS 12 H CYS 12 11.675 -11.703 -1.561
78 HA CYS 12 HA CYS 12 10.838 -12.038 0.421
79 1HB CYS 12 2HB CYS 12 11.421 -14.810 0.816
80 2HB CYS 12 1HB CYS 12 9.890 -13.996 0.689
No H/Q in entry = 80
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 3.023 -14.196 5.401
2 H2 GLY 1 H2 GLY 1 2.940 -15.793 5.818
3 H3 GLY 1 H3 GLY 1 3.737 -14.714 6.778
4 1HA GLY 1 2HA GLY 1 4.522 -15.584 4.091
5 2HA GLY 1 1HA GLY 1 5.344 -15.976 5.614
6 H CYS 2 H CYS 2 6.110 -14.374 3.076
7 HA CYS 2 HA CYS 2 5.987 -11.594 3.885
8 1HB CYS 2 1HB CYS 2 8.088 -12.336 5.015
9 2HB CYS 2 2HB CYS 2 8.739 -12.844 3.463
10 H CYS 3 H CYS 3 7.627 -13.877 1.611
11 HA CYS 3 HA CYS 3 7.613 -12.271 -0.739
12 1HB CYS 3 1HB CYS 3 8.905 -14.311 -0.202
13 2HB CYS 3 2HB CYS 3 7.433 -15.273 -0.239
14 H SER 4 H SER 4 5.055 -14.205 0.828
15 HA SER 4 HA SER 4 3.198 -14.263 -1.336
16 1HB SER 4 1HB SER 4 1.685 -14.803 0.740
17 2HB SER 4 2HB SER 4 2.981 -15.926 0.325
18 HG SER 4 HG SER 4 2.830 -15.311 2.585
19 H ASN 5 H ASN 5 4.156 -11.811 0.733
20 HA ASN 5 HA ASN 5 1.615 -10.256 0.540
21 1HB ASN 5 1HB ASN 5 2.352 -10.901 2.843
22 2HB ASN 5 2HB ASN 5 3.908 -10.122 2.563
23 2HD2 ASN 5 2HD2 ASN 5 0.496 -9.606 3.365
24 1HD2 ASN 5 1HD2 ASN 5 0.654 -7.864 3.553
25 HA PRO 6 HA PRO 6 4.353 -7.658 -1.932
26 1HB PRO 6 1HB PRO 6 3.220 -5.179 -1.849
27 2HB PRO 6 2HB PRO 6 2.437 -6.583 -2.623
28 1HG PRO 6 2HG PRO 6 1.955 -5.550 0.185
29 2HG PRO 6 1HG PRO 6 0.744 -5.878 -1.098
30 1HD PRO 6 1HD PRO 6 1.308 -7.694 0.812
31 2HD PRO 6 2HD PRO 6 1.009 -8.245 -0.841
32 H ARG 7 H ARG 7 5.768 -8.300 0.315
33 HA ARG 7 HA ARG 7 7.065 -5.733 0.908
34 1HB ARG 7 1HB ARG 7 5.293 -6.599 2.685
35 2HB ARG 7 2HB ARG 7 6.588 -7.691 3.169
36 1HG ARG 7 1HG ARG 7 8.025 -5.771 3.697
37 2HG ARG 7 2HG ARG 7 6.912 -4.671 2.854
38 1HD ARG 7 1HD ARG 7 5.141 -5.287 4.563
39 2HD ARG 7 2HD ARG 7 6.386 -6.163 5.455
40 HE ARG 7 HE ARG 7 7.143 -4.208 6.307
41 1HH1 ARG 7 1HH1 ARG 7 6.780 -1.941 6.873
42 2HH1 ARG 7 2HH1 ARG 7 6.178 -0.852 5.657
43 1HH2 ARG 7 1HH2 ARG 7 5.152 -3.383 3.433
44 2HH2 ARG 7 2HH2 ARG 7 4.975 -1.733 3.867
45 H CYS 8 H CYS 8 7.627 -8.722 -0.432
46 HA CYS 8 HA CYS 8 10.421 -8.713 0.558
47 1HB CYS 8 1HB CYS 8 8.368 -10.810 0.868
48 2HB CYS 8 2HB CYS 8 9.852 -11.397 0.151
49 H ALA 9 H ALA 9 8.792 -8.020 -1.952
50 HA ALA 9 HA ALA 9 9.567 -9.782 -3.984
51 1HB ALA 9 1HB ALA 9 7.823 -7.981 -4.175
52 2HB ALA 9 3HB ALA 9 8.946 -8.004 -5.545
53 3HB ALA 9 2HB ALA 9 9.120 -6.773 -4.274
54 H TRP 10 H TRP 10 11.789 -8.216 -2.097
55 HA TRP 10 HA TRP 10 13.768 -7.170 -3.796
56 1HB TRP 10 1HB TRP 10 13.794 -8.654 -1.091
57 2HB TRP 10 2HB TRP 10 15.162 -7.971 -1.887
58 HD1 TRP 10 HD1 TRP 10 12.106 -5.800 -1.862
59 HE1 TRP 10 HE1 TRP 10 12.512 -3.799 -0.290
60 HE3 TRP 10 HE3 TRP 10 16.370 -7.424 0.328
61 HZ2 TRP 10 HZ2 TRP 10 14.455 -3.041 1.727
62 HZ3 TRP 10 HZ3 TRP 10 17.509 -6.062 2.086
63 HH2 TRP 10 HH2 TRP 10 16.559 -3.874 2.786
64 H ARG 11 H ARG 11 12.757 -10.455 -2.835
65 HA ARG 11 HA ARG 11 13.820 -11.940 -4.908
66 1HB ARG 11 1HB ARG 11 15.912 -12.955 -3.936
67 2HB ARG 11 2HB ARG 11 16.101 -11.321 -4.393
68 1HG ARG 11 1HG ARG 11 15.368 -10.999 -1.709
69 2HG ARG 11 2HG ARG 11 16.146 -12.572 -1.677
70 1HD ARG 11 1HD ARG 11 17.721 -10.758 -1.173
71 2HD ARG 11 2HD ARG 11 18.183 -11.587 -2.675
72 HE ARG 11 HE ARG 11 16.515 -9.411 -3.344
73 1HH1 ARG 11 1HH1 ARG 11 17.318 -7.536 -4.294
74 2HH1 ARG 11 2HH1 ARG 11 19.005 -7.184 -4.269
75 1HH2 ARG 11 1HH2 ARG 11 19.838 -10.021 -2.228
76 2HH2 ARG 11 2HH2 ARG 11 20.507 -8.782 -3.256
77 H CYS 12 H CYS 12 11.626 -11.918 -2.896
78 HA CYS 12 HA CYS 12 10.354 -13.297 -1.738
79 1HB CYS 12 1HB CYS 12 11.276 -14.920 -3.618
80 2HB CYS 12 2HB CYS 12 12.085 -15.710 -2.279
No H/Q in entry = 80
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 5.124 -15.925 3.372
2 H2 GLY 1 H2 GLY 1 5.229 -17.096 4.532
3 H3 GLY 1 H3 GLY 1 4.821 -15.560 4.952
4 1HA GLY 1 2HA GLY 1 7.391 -16.527 3.984
5 2HA GLY 1 1HA GLY 1 7.037 -15.873 5.589
6 H CYS 2 H CYS 2 7.624 -15.157 2.234
7 HA CYS 2 HA CYS 2 7.396 -12.251 2.660
8 1HB CYS 2 1HB CYS 2 9.964 -13.724 2.624
9 2HB CYS 2 2HB CYS 2 9.901 -12.416 1.451
10 H CYS 3 H CYS 3 7.925 -14.944 0.242
11 HA CYS 3 HA CYS 3 7.298 -13.313 -2.021
12 1HB CYS 3 1HB CYS 3 6.544 -16.185 -1.349
13 2HB CYS 3 2HB CYS 3 6.129 -15.397 -2.859
14 H SER 4 H SER 4 5.265 -14.738 0.548
15 HA SER 4 HA SER 4 2.761 -14.126 -0.530
16 1HB SER 4 1HB SER 4 2.040 -14.494 1.845
17 2HB SER 4 2HB SER 4 3.140 -15.740 1.240
18 HG SER 4 HG SER 4 3.547 -13.706 3.125
19 H ASN 5 H ASN 5 4.989 -11.717 0.103
20 HA ASN 5 HA ASN 5 2.834 -9.806 0.671
21 1HB ASN 5 1HB ASN 5 3.874 -10.667 2.843
22 2HB ASN 5 2HB ASN 5 5.328 -9.768 2.397
23 2HD2 ASN 5 2HD2 ASN 5 1.871 -9.500 3.194
24 1HD2 ASN 5 1HD2 ASN 5 1.784 -7.752 3.088
25 HA PRO 6 HA PRO 6 5.508 -7.851 -2.165
26 1HB PRO 6 1HB PRO 6 4.099 -5.549 -2.850
27 2HB PRO 6 2HB PRO 6 3.557 -7.185 -3.334
28 1HG PRO 6 2HG PRO 6 2.657 -5.556 -0.954
29 2HG PRO 6 1HG PRO 6 1.650 -6.480 -2.115
30 1HD PRO 6 1HD PRO 6 2.421 -7.436 0.359
31 2HD PRO 6 2HD PRO 6 2.138 -8.531 -1.016
32 H ARG 7 H ARG 7 5.283 -6.980 0.629
33 HA ARG 7 HA ARG 7 7.170 -4.677 0.656
34 1HB ARG 7 1HB ARG 7 5.175 -4.819 2.337
35 2HB ARG 7 2HB ARG 7 6.202 -5.962 3.224
36 1HG ARG 7 1HG ARG 7 7.984 -4.209 3.341
37 2HG ARG 7 2HG ARG 7 6.970 -3.138 2.389
38 1HD ARG 7 1HD ARG 7 6.755 -2.415 4.589
39 2HD ARG 7 2HD ARG 7 5.237 -3.264 4.235
40 HE ARG 7 HE ARG 7 7.038 -5.120 5.377
41 1HH1 ARG 7 1HH1 ARG 7 6.987 -5.672 7.594
42 2HH1 ARG 7 2HH1 ARG 7 6.570 -4.490 8.784
43 1HH2 ARG 7 1HH2 ARG 7 5.425 -2.104 6.369
44 2HH2 ARG 7 2HH2 ARG 7 5.428 -2.504 8.064
45 H CYS 8 H CYS 8 7.392 -7.791 0.004
46 HA CYS 8 HA CYS 8 10.195 -7.965 0.801
47 1HB CYS 8 1HB CYS 8 8.121 -9.430 2.114
48 2HB CYS 8 2HB CYS 8 8.864 -10.531 0.982
49 H ALA 9 H ALA 9 8.500 -7.414 -1.658
50 HA ALA 9 HA ALA 9 7.871 -9.455 -3.271
51 1HB ALA 9 1HB ALA 9 7.372 -7.118 -3.753
52 2HB ALA 9 3HB ALA 9 9.084 -6.792 -4.104
53 3HB ALA 9 2HB ALA 9 8.141 -7.869 -5.152
54 H TRP 10 H TRP 10 11.010 -7.861 -3.615
55 HA TRP 10 HA TRP 10 12.088 -9.734 -5.470
56 1HB TRP 10 1HB TRP 10 13.148 -7.541 -3.646
57 2HB TRP 10 2HB TRP 10 14.163 -8.430 -4.732
58 HD1 TRP 10 HD1 TRP 10 11.071 -7.900 -6.581
59 HE1 TRP 10 HE1 TRP 10 11.280 -5.912 -8.181
60 HE3 TRP 10 HE3 TRP 10 15.299 -5.730 -4.666
61 HZ2 TRP 10 HZ2 TRP 10 13.002 -3.646 -8.559
62 HZ3 TRP 10 HZ3 TRP 10 16.204 -3.653 -5.681
63 HH2 TRP 10 HH2 TRP 10 15.080 -2.634 -7.657
64 H ARG 11 H ARG 11 12.229 -9.385 -1.980
65 HA ARG 11 HA ARG 11 14.235 -11.380 -1.381
66 1HB ARG 11 1HB ARG 11 13.803 -9.330 -0.097
67 2HB ARG 11 2HB ARG 11 12.201 -9.909 0.351
68 1HG ARG 11 1HG ARG 11 13.129 -11.616 1.753
69 2HG ARG 11 2HG ARG 11 14.761 -11.377 1.081
70 1HD ARG 11 1HD ARG 11 14.950 -9.219 2.173
71 2HD ARG 11 2HD ARG 11 13.230 -9.211 2.565
72 HE ARG 11 HE ARG 11 13.617 -10.373 4.439
73 1HH1 ARG 11 1HH1 ARG 11 14.480 -11.917 5.781
74 2HH1 ARG 11 2HH1 ARG 11 15.932 -12.795 5.356
75 1HH2 ARG 11 1HH2 ARG 11 16.583 -10.683 2.558
76 2HH2 ARG 11 2HH2 ARG 11 17.266 -11.957 3.508
77 H CYS 12 H CYS 12 11.963 -12.209 -3.073
78 HA CYS 12 HA CYS 12 10.237 -14.050 -1.755
79 1HB CYS 12 1HB CYS 12 10.638 -12.983 -4.342
80 2HB CYS 12 2HB CYS 12 11.136 -14.636 -4.517
No H/Q in entry = 80
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 5.284 -17.258 4.987
2 H2 GLY 1 H2 GLY 1 6.020 -18.665 4.553
3 H3 GLY 1 H3 GLY 1 6.813 -17.579 5.506
4 1HA GLY 1 2HA GLY 1 6.100 -17.262 2.682
5 2HA GLY 1 1HA GLY 1 7.730 -17.372 3.369
6 H CYS 2 H CYS 2 7.581 -15.244 1.909
7 HA CYS 2 HA CYS 2 6.576 -12.949 3.501
8 1HB CYS 2 1HB CYS 2 9.004 -13.384 4.099
9 2HB CYS 2 2HB CYS 2 9.407 -13.003 2.421
10 H CYS 3 H CYS 3 7.738 -14.151 0.255
11 HA CYS 3 HA CYS 3 7.134 -11.755 -1.157
12 1HB CYS 3 1HB CYS 3 6.811 -14.651 -2.039
13 2HB CYS 3 2HB CYS 3 6.687 -13.240 -3.072
14 H SER 4 H SER 4 5.120 -14.223 0.253
15 HA SER 4 HA SER 4 2.612 -13.802 -0.971
16 1HB SER 4 1HB SER 4 2.054 -14.914 1.414
17 2HB SER 4 2HB SER 4 2.806 -15.821 0.101
18 HG SER 4 HG SER 4 3.822 -16.083 2.165
19 H ASN 5 H ASN 5 4.344 -11.522 0.690
20 HA ASN 5 HA ASN 5 1.958 -10.020 1.542
21 1HB ASN 5 1HB ASN 5 3.255 -10.985 3.512
22 2HB ASN 5 2HB ASN 5 4.679 -10.123 2.949
23 2HD2 ASN 5 2HD2 ASN 5 4.977 -8.325 4.293
24 1HD2 ASN 5 1HD2 ASN 5 3.640 -7.331 4.855
25 HA PRO 6 HA PRO 6 4.190 -7.688 -1.575
26 1HB PRO 6 1HB PRO 6 2.822 -5.317 -1.628
27 2HB PRO 6 2HB PRO 6 2.146 -6.871 -2.177
28 1HG PRO 6 1HG PRO 6 1.716 -5.498 0.473
29 2HG PRO 6 2HG PRO 6 0.500 -6.270 -0.592
30 1HD PRO 6 1HD PRO 6 1.632 -7.508 1.590
31 2HD PRO 6 2HD PRO 6 1.094 -8.431 0.164
32 H ARG 7 H ARG 7 6.020 -7.837 -0.015
33 HA ARG 7 HA ARG 7 7.196 -5.211 0.640
34 1HB ARG 7 1HB ARG 7 5.776 -5.862 2.544
35 2HB ARG 7 2HB ARG 7 6.595 -7.418 2.663
36 1HG ARG 7 1HG ARG 7 8.616 -6.437 3.410
37 2HG ARG 7 2HG ARG 7 8.118 -4.804 2.935
38 1HD ARG 7 1HD ARG 7 6.550 -4.667 4.730
39 2HD ARG 7 2HD ARG 7 6.686 -6.386 5.108
40 HE ARG 7 HE ARG 7 8.456 -4.217 5.873
41 1HH1 ARG 7 1HH1 ARG 7 10.510 -4.636 6.746
42 2HH1 ARG 7 2HH1 ARG 7 11.032 -6.236 7.162
43 1HH2 ARG 7 1HH2 ARG 7 8.160 -7.748 5.601
44 2HH2 ARG 7 2HH2 ARG 7 9.689 -8.068 6.377
45 H CYS 8 H CYS 8 7.612 -8.359 -0.609
46 HA CYS 8 HA CYS 8 10.476 -8.557 0.149
47 1HB CYS 8 1HB CYS 8 8.121 -10.158 0.952
48 2HB CYS 8 2HB CYS 8 9.396 -11.141 0.264
49 H ALA 9 H ALA 9 8.799 -7.957 -2.339
50 HA ALA 9 HA ALA 9 8.584 -10.173 -3.978
51 1HB ALA 9 1HB ALA 9 7.456 -8.002 -4.373
52 2HB ALA 9 3HB ALA 9 9.008 -7.276 -4.840
53 3HB ALA 9 2HB ALA 9 8.289 -8.570 -5.830
54 H TRP 10 H TRP 10 11.382 -8.052 -3.631
55 HA TRP 10 HA TRP 10 13.045 -9.448 -5.525
56 1HB TRP 10 1HB TRP 10 13.329 -7.235 -3.496
57 2HB TRP 10 2HB TRP 10 14.723 -8.007 -4.212
58 HD1 TRP 10 HD1 TRP 10 11.996 -7.762 -6.709
59 HE1 TRP 10 HE1 TRP 10 12.468 -5.891 -8.385
60 HE3 TRP 10 HE3 TRP 10 15.749 -5.344 -4.192
61 HZ2 TRP 10 HZ2 TRP 10 14.358 -3.712 -8.689
62 HZ3 TRP 10 HZ3 TRP 10 16.807 -3.331 -5.175
63 HH2 TRP 10 HH2 TRP 10 16.142 -2.520 -7.421
64 H ARG 11 H ARG 11 14.440 -9.014 -2.349
65 HA ARG 11 HA ARG 11 15.043 -11.825 -2.177
66 1HB ARG 11 1HB ARG 11 16.483 -9.921 -1.309
67 2HB ARG 11 2HB ARG 11 15.359 -9.798 0.051
68 1HG ARG 11 1HG ARG 11 15.788 -12.333 0.406
69 2HG ARG 11 2HG ARG 11 17.109 -12.168 -0.758
70 1HD ARG 11 2HD ARG 11 16.771 -10.730 1.898
71 2HD ARG 11 1HD ARG 11 17.948 -12.008 1.527
72 HE ARG 11 HE ARG 11 18.665 -10.180 -0.287
73 1HH1 ARG 11 1HH1 ARG 11 19.930 -8.379 -0.111
74 2HH1 ARG 11 2HH1 ARG 11 20.073 -7.485 1.383
75 1HH2 ARG 11 1HH2 ARG 11 18.167 -9.913 3.215
76 2HH2 ARG 11 2HH2 ARG 11 19.065 -8.430 3.367
77 H CYS 12 H CYS 12 13.248 -13.082 -2.035
78 HA CYS 12 HA CYS 12 11.008 -12.675 -0.376
79 1HB CYS 12 1HB CYS 12 11.661 -14.433 -2.330
80 2HB CYS 12 2HB CYS 12 12.030 -15.443 -0.938
No H/Q in entry = 80
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 3.674 -16.263 3.380
2 H2 GLY 1 H2 GLY 1 3.700 -17.149 4.762
3 H3 GLY 1 H3 GLY 1 3.872 -15.506 4.838
4 1HA GLY 1 2HA GLY 1 5.744 -17.436 3.688
5 2HA GLY 1 1HA GLY 1 6.009 -16.454 5.137
6 H CYS 2 H CYS 2 6.113 -14.169 4.850
7 HA CYS 2 HA CYS 2 6.575 -12.184 3.930
8 1HB CYS 2 1HB CYS 2 8.627 -13.551 4.691
9 2HB CYS 2 2HB CYS 2 9.105 -13.528 2.998
10 H CYS 3 H CYS 3 7.946 -14.193 1.179
11 HA CYS 3 HA CYS 3 7.467 -12.376 -0.867
12 1HB CYS 3 1HB CYS 3 8.785 -14.482 -0.835
13 2HB CYS 3 2HB CYS 3 7.295 -15.412 -0.810
14 H SER 4 H SER 4 5.037 -14.385 0.855
15 HA SER 4 HA SER 4 3.007 -14.195 -1.137
16 1HB SER 4 1HB SER 4 1.537 -14.639 0.910
17 2HB SER 4 2HB SER 4 2.817 -15.814 0.580
18 HG SER 4 HG SER 4 2.614 -13.873 2.612
19 H ASN 5 H ASN 5 4.430 -11.786 0.704
20 HA ASN 5 HA ASN 5 2.080 -9.975 0.611
21 1HB ASN 5 1HB ASN 5 3.251 -10.574 2.828
22 2HB ASN 5 2HB ASN 5 4.599 -9.591 2.261
23 2HD2 ASN 5 2HD2 ASN 5 1.006 -9.481 2.763
24 1HD2 ASN 5 1HD2 ASN 5 0.985 -7.799 3.239
25 HA PRO 6 HA PRO 6 4.612 -7.391 -2.147
26 1HB PRO 6 1HB PRO 6 3.171 -5.072 -2.124
27 2HB PRO 6 2HB PRO 6 2.654 -6.534 -2.989
28 1HG PRO 6 2HG PRO 6 1.681 -5.513 -0.334
29 2HG PRO 6 1HG PRO 6 0.754 -6.265 -1.670
30 1HD PRO 6 1HD PRO 6 1.658 -7.554 0.618
31 2HD PRO 6 2HD PRO 6 1.232 -8.413 -0.870
32 H ARG 7 H ARG 7 5.920 -7.864 -0.021
33 HA ARG 7 HA ARG 7 7.106 -5.277 0.618
34 1HB ARG 7 1HB ARG 7 5.509 -5.868 2.496
35 2HB ARG 7 2HB ARG 7 6.518 -7.281 2.856
36 1HG ARG 7 1HG ARG 7 8.435 -5.836 3.347
37 2HG ARG 7 2HG ARG 7 7.560 -4.427 2.718
38 1HD ARG 7 1HD ARG 7 7.493 -4.223 5.035
39 2HD ARG 7 2HD ARG 7 5.865 -4.738 4.552
40 HE ARG 7 HE ARG 7 6.994 -7.115 5.181
41 1HH1 ARG 7 1HH1 ARG 7 7.512 -8.018 7.210
42 2HH1 ARG 7 2HH1 ARG 7 7.133 -7.140 8.665
43 1HH2 ARG 7 1HH2 ARG 7 6.528 -4.073 6.953
44 2HH2 ARG 7 2HH2 ARG 7 7.006 -4.750 8.487
45 H CYS 8 H CYS 8 7.296 -8.765 0.236
46 HA CYS 8 HA CYS 8 10.196 -8.712 0.745
47 1HB CYS 8 1HB CYS 8 8.154 -10.349 1.696
48 2HB CYS 8 2HB CYS 8 8.950 -11.346 0.479
49 H ALA 9 H ALA 9 8.669 -8.046 -1.838
50 HA ALA 9 HA ALA 9 9.456 -10.124 -3.707
51 1HB ALA 9 1HB ALA 9 7.483 -8.600 -4.040
52 2HB ALA 9 3HB ALA 9 8.636 -7.285 -4.386
53 3HB ALA 9 2HB ALA 9 8.581 -8.723 -5.423
54 H TRP 10 H TRP 10 11.459 -8.320 -1.984
55 HA TRP 10 HA TRP 10 13.391 -7.098 -3.605
56 1HB TRP 10 1HB TRP 10 13.347 -8.657 -0.974
57 2HB TRP 10 2HB TRP 10 14.779 -7.862 -1.585
58 HD1 TRP 10 HD1 TRP 10 12.036 -5.565 -2.320
59 HE1 TRP 10 HE1 TRP 10 11.834 -3.728 -0.565
60 HE3 TRP 10 HE3 TRP 10 14.933 -7.650 1.357
61 HZ2 TRP 10 HZ2 TRP 10 12.855 -3.179 2.074
62 HZ3 TRP 10 HZ3 TRP 10 15.338 -6.419 3.467
63 HH2 TRP 10 HH2 TRP 10 14.318 -4.186 3.840
64 H ARG 11 H ARG 11 13.027 -10.446 -2.470
65 HA ARG 11 HA ARG 11 13.640 -11.759 -4.892
66 1HB ARG 11 1HB ARG 11 15.836 -12.053 -2.775
67 2HB ARG 11 2HB ARG 11 15.553 -13.113 -4.141
68 1HG ARG 11 1HG ARG 11 16.060 -11.032 -5.613
69 2HG ARG 11 2HG ARG 11 16.748 -10.358 -4.119
70 1HD ARG 11 2HD ARG 11 17.602 -12.796 -5.690
71 2HD ARG 11 1HD ARG 11 18.564 -11.391 -5.252
72 HE ARG 11 HE ARG 11 17.953 -13.788 -3.680
73 1HH1 ARG 11 1HH1 ARG 11 18.981 -14.148 -1.636
74 2HH1 ARG 11 2HH1 ARG 11 19.983 -12.916 -0.958
75 1HH2 ARG 11 1HH2 ARG 11 19.385 -10.501 -3.462
76 2HH2 ARG 11 2HH2 ARG 11 19.972 -10.780 -1.863
77 H CYS 12 H CYS 12 11.501 -12.179 -3.936
78 HA CYS 12 HA CYS 12 9.968 -13.105 -2.541
79 1HB CYS 12 1HB CYS 12 10.640 -14.451 -4.580
80 2HB CYS 12 2HB CYS 12 11.590 -15.483 -3.523
No H/Q in entry = 80
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 9.179 -17.295 5.050
2 H2 GLY 1 H2 GLY 1 7.647 -16.954 5.539
3 H3 GLY 1 H3 GLY 1 8.033 -18.482 5.057
4 1HA GLY 1 2HA GLY 1 6.780 -17.369 3.358
5 2HA GLY 1 1HA GLY 1 8.424 -17.768 2.843
6 H CYS 2 H CYS 2 6.256 -15.229 3.838
7 HA CYS 2 HA CYS 2 6.108 -13.075 3.579
8 1HB CYS 2 1HB CYS 2 8.203 -13.185 5.048
9 2HB CYS 2 2HB CYS 2 9.105 -12.747 3.596
10 H CYS 3 H CYS 3 8.233 -14.601 1.200
11 HA CYS 3 HA CYS 3 8.508 -12.640 -0.694
12 1HB CYS 3 1HB CYS 3 9.390 -14.938 -0.761
13 2HB CYS 3 2HB CYS 3 7.774 -15.560 -1.108
14 H SER 4 H SER 4 5.512 -14.467 -0.019
15 HA SER 4 HA SER 4 3.943 -13.385 -2.158
16 1HB SER 4 1HB SER 4 2.195 -14.683 -0.729
17 2HB SER 4 2HB SER 4 3.517 -15.572 -1.493
18 HG SER 4 HG SER 4 3.258 -14.813 1.226
19 H ASN 5 H ASN 5 5.117 -11.666 0.392
20 HA ASN 5 HA ASN 5 2.638 -10.099 0.837
21 1HB ASN 5 1HB ASN 5 3.565 -10.708 2.953
22 2HB ASN 5 2HB ASN 5 5.210 -10.390 2.433
23 2HD2 ASN 5 2HD2 ASN 5 2.218 -8.785 3.433
24 1HD2 ASN 5 1HD2 ASN 5 2.935 -7.177 3.548
25 HA PRO 6 HA PRO 6 4.662 -7.689 -2.188
26 1HB PRO 6 1HB PRO 6 2.945 -5.532 -2.480
27 2HB PRO 6 2HB PRO 6 2.477 -7.201 -2.894
28 1HG PRO 6 2HG PRO 6 2.055 -5.744 -0.257
29 2HG PRO 6 1HG PRO 6 0.804 -6.544 -1.262
30 1HD PRO 6 1HD PRO 6 1.939 -7.844 0.808
31 2HD PRO 6 2HD PRO 6 1.648 -8.706 -0.735
32 H ARG 7 H ARG 7 5.390 -7.099 0.582
33 HA ARG 7 HA ARG 7 6.928 -4.616 0.038
34 1HB ARG 7 1HB ARG 7 5.493 -4.451 2.122
35 2HB ARG 7 2HB ARG 7 6.507 -5.719 2.823
36 1HG ARG 7 1HG ARG 7 8.520 -4.251 2.354
37 2HG ARG 7 2HG ARG 7 7.400 -2.991 1.820
38 1HD ARG 7 1HD ARG 7 6.391 -2.954 4.098
39 2HD ARG 7 2HD ARG 7 7.527 -4.228 4.607
40 HE ARG 7 HE ARG 7 8.904 -2.005 3.404
41 1HH1 ARG 7 1HH1 ARG 7 10.125 -0.640 4.528
42 2HH1 ARG 7 2HH1 ARG 7 10.054 -0.468 6.257
43 1HH2 ARG 7 1HH2 ARG 7 7.487 -2.960 6.564
44 2HH2 ARG 7 2HH2 ARG 7 8.458 -1.793 7.416
45 H CYS 8 H CYS 8 6.965 -8.006 1.098
46 HA CYS 8 HA CYS 8 9.851 -8.115 1.337
47 1HB CYS 8 1HB CYS 8 7.445 -9.753 1.880
48 2HB CYS 8 2HB CYS 8 8.803 -10.705 1.322
49 H ALA 9 H ALA 9 8.140 -7.856 -1.210
50 HA ALA 9 HA ALA 9 8.477 -10.092 -2.900
51 1HB ALA 9 1HB ALA 9 6.765 -8.331 -3.142
52 2HB ALA 9 3HB ALA 9 8.006 -7.175 -3.666
53 3HB ALA 9 2HB ALA 9 7.632 -8.598 -4.665
54 H TRP 10 H TRP 10 11.175 -8.524 -1.869
55 HA TRP 10 HA TRP 10 12.535 -7.853 -4.299
56 1HB TRP 10 1HB TRP 10 13.259 -8.208 -1.355
57 2HB TRP 10 2HB TRP 10 14.404 -7.807 -2.595
58 HD1 TRP 10 HD1 TRP 10 11.194 -6.000 -3.180
59 HE1 TRP 10 HE1 TRP 10 11.399 -3.576 -2.534
60 HE3 TRP 10 HE3 TRP 10 15.692 -6.252 -0.795
61 HZ2 TRP 10 HZ2 TRP 10 13.379 -1.860 -1.228
62 HZ3 TRP 10 HZ3 TRP 10 16.768 -4.178 0.069
63 HH2 TRP 10 HH2 TRP 10 15.634 -1.990 -0.161
64 H ARG 11 H ARG 11 12.023 -10.892 -2.518
65 HA ARG 11 HA ARG 11 13.507 -12.456 -4.365
66 1HB ARG 11 1HB ARG 11 15.382 -11.332 -2.960
67 2HB ARG 11 2HB ARG 11 14.773 -12.264 -1.592
68 1HG ARG 11 1HG ARG 11 15.372 -14.340 -2.637
69 2HG ARG 11 2HG ARG 11 15.612 -13.555 -4.209
70 1HD ARG 11 1HD ARG 11 17.584 -12.362 -3.296
71 2HD ARG 11 2HD ARG 11 17.297 -13.093 -1.712
72 HE ARG 11 HE ARG 11 18.197 -15.071 -2.422
73 1HH1 ARG 11 1HH1 ARG 11 19.144 -16.581 -3.919
74 2HH1 ARG 11 2HH1 ARG 11 19.210 -16.165 -5.608
75 1HH2 ARG 11 1HH2 ARG 11 17.840 -12.961 -5.280
76 2HH2 ARG 11 2HH2 ARG 11 18.456 -14.123 -6.391
77 H CYS 12 H CYS 12 13.656 -14.794 -3.290
78 HA CYS 12 HA CYS 12 11.277 -15.347 -1.654
79 1HB CYS 12 1HB CYS 12 11.312 -15.330 -4.463
80 2HB CYS 12 2HB CYS 12 11.690 -17.002 -4.087
No H/Q in entry = 80
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 2.846 -14.204 3.823
2 H2 GLY 1 H2 GLY 1 2.991 -15.126 2.469
3 H3 GLY 1 H3 GLY 1 2.713 -15.842 3.935
4 1HA GLY 1 2HA GLY 1 5.011 -16.088 3.221
5 2HA GLY 1 1HA GLY 1 4.843 -15.169 4.734
6 H CYS 2 H CYS 2 6.931 -14.175 4.209
7 HA CYS 2 HA CYS 2 6.647 -11.576 3.367
8 1HB CYS 2 1HB CYS 2 8.648 -13.138 4.479
9 2HB CYS 2 2HB CYS 2 9.368 -12.629 2.963
10 H CYS 3 H CYS 3 7.862 -14.311 1.371
11 HA CYS 3 HA CYS 3 8.390 -12.823 -0.980
12 1HB CYS 3 1HB CYS 3 9.145 -15.125 -0.499
13 2HB CYS 3 2HB CYS 3 7.498 -15.703 -0.642
14 H SER 4 H SER 4 5.220 -14.243 0.174
15 HA SER 4 HA SER 4 3.936 -13.468 -2.331
16 1HB SER 4 1HB SER 4 2.044 -14.584 -1.383
17 2HB SER 4 2HB SER 4 3.463 -15.623 -1.230
18 HG SER 4 HG SER 4 1.912 -14.312 0.648
19 H ASN 5 H ASN 5 5.006 -11.700 0.242
20 HA ASN 5 HA ASN 5 2.547 -10.098 0.631
21 1HB ASN 5 1HB ASN 5 3.453 -11.040 2.685
22 2HB ASN 5 2HB ASN 5 5.071 -10.451 2.284
23 2HD2 ASN 5 2HD2 ASN 5 2.006 -9.545 3.780
24 1HD2 ASN 5 1HD2 ASN 5 2.483 -7.862 4.031
25 HA PRO 6 HA PRO 6 4.659 -7.232 -1.882
26 1HB PRO 6 1HB PRO 6 3.099 -4.952 -1.650
27 2HB PRO 6 2HB PRO 6 2.529 -6.466 -2.401
28 1HG PRO 6 1HG PRO 6 2.134 -5.554 0.456
29 2HG PRO 6 2HG PRO 6 0.888 -6.140 -0.704
30 1HD PRO 6 1HD PRO 6 2.009 -7.782 1.139
31 2HD PRO 6 2HD PRO 6 1.615 -8.360 -0.505
32 H ARG 7 H ARG 7 5.652 -7.429 0.853
33 HA ARG 7 HA ARG 7 7.154 -4.865 0.928
34 1HB ARG 7 1HB ARG 7 5.694 -5.362 2.955
35 2HB ARG 7 2HB ARG 7 6.800 -6.699 3.322
36 1HG ARG 7 1HG ARG 7 8.689 -5.087 3.468
37 2HG ARG 7 2HG ARG 7 7.594 -3.768 3.009
38 1HD ARG 7 1HD ARG 7 6.228 -4.333 5.089
39 2HD ARG 7 2HD ARG 7 7.502 -5.473 5.528
40 HE ARG 7 HE ARG 7 8.941 -3.749 6.058
41 1HH1 ARG 7 1HH1 ARG 7 9.421 -1.569 6.652
42 2HH1 ARG 7 2HH1 ARG 7 8.262 -0.319 6.312
43 1HH2 ARG 7 1HH2 ARG 7 6.089 -2.294 4.419
44 2HH2 ARG 7 2HH2 ARG 7 6.532 -0.712 4.937
45 H CYS 8 H CYS 8 7.385 -8.392 0.580
46 HA CYS 8 HA CYS 8 10.322 -8.097 0.383
47 1HB CYS 8 1HB CYS 8 9.819 -10.576 1.638
48 2HB CYS 8 2HB CYS 8 10.685 -9.185 2.269
49 H ALA 9 H ALA 9 7.930 -8.595 -1.456
50 HA ALA 9 HA ALA 9 8.292 -11.181 -2.594
51 1HB ALA 9 1HB ALA 9 6.246 -9.910 -2.943
52 2HB ALA 9 3HB ALA 9 7.143 -8.633 -3.791
53 3HB ALA 9 2HB ALA 9 7.018 -10.250 -4.503
54 H TRP 10 H TRP 10 10.230 -8.261 -2.914
55 HA TRP 10 HA TRP 10 11.664 -8.669 -5.227
56 1HB TRP 10 1HB TRP 10 12.158 -7.498 -2.478
57 2HB TRP 10 2HB TRP 10 13.512 -7.726 -3.538
58 HD1 TRP 10 HD1 TRP 10 10.604 -6.569 -5.539
59 HE1 TRP 10 HE1 TRP 10 11.039 -4.118 -6.240
60 HE3 TRP 10 HE3 TRP 10 14.544 -5.502 -2.455
61 HZ2 TRP 10 HZ2 TRP 10 12.748 -1.954 -5.432
62 HZ3 TRP 10 HZ3 TRP 10 15.586 -3.250 -2.462
63 HH2 TRP 10 HH2 TRP 10 14.685 -1.461 -3.934
64 H ARG 11 H ARG 11 13.483 -9.388 -2.248
65 HA ARG 11 HA ARG 11 14.756 -11.561 -3.562
66 1HB ARG 11 2HB ARG 11 16.165 -11.788 -1.645
67 2HB ARG 11 1HB ARG 11 15.899 -10.098 -2.014
68 1HG ARG 11 1HG ARG 11 15.695 -9.990 0.232
69 2HG ARG 11 2HG ARG 11 13.996 -10.288 -0.141
70 1HD ARG 11 1HD ARG 11 14.241 -12.634 0.481
71 2HD ARG 11 2HD ARG 11 16.006 -12.462 0.591
72 HE ARG 11 HE ARG 11 15.037 -10.544 2.319
73 1HH1 ARG 11 1HH1 ARG 11 14.653 -10.829 4.574
74 2HH1 ARG 11 2HH1 ARG 11 14.539 -12.439 5.208
75 1HH2 ARG 11 1HH2 ARG 11 15.014 -14.121 2.139
76 2HH2 ARG 11 2HH2 ARG 11 15.102 -14.277 3.862
77 H CYS 12 H CYS 12 11.854 -11.888 -2.965
78 HA CYS 12 HA CYS 12 10.324 -13.361 -2.096
79 1HB CYS 12 1HB CYS 12 11.382 -14.567 -4.005
80 2HB CYS 12 2HB CYS 12 12.442 -15.397 -2.873
No H/Q in entry = 80
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 3.584 -14.836 2.641
2 H2 GLY 1 H2 GLY 1 2.890 -14.979 4.125
3 H3 GLY 1 H3 GLY 1 3.327 -13.495 3.580
4 1HA GLY 1 2HA GLY 1 5.060 -15.716 4.375
5 2HA GLY 1 1HA GLY 1 4.917 -14.128 5.149
6 H CYS 2 H CYS 2 6.124 -12.443 4.356
7 HA CYS 2 HA CYS 2 7.362 -11.178 3.137
8 1HB CYS 2 1HB CYS 2 8.950 -13.518 3.884
9 2HB CYS 2 2HB CYS 2 9.607 -12.740 2.467
10 H CYS 3 H CYS 3 8.179 -14.084 1.127
11 HA CYS 3 HA CYS 3 8.507 -12.513 -1.203
12 1HB CYS 3 2HB CYS 3 7.624 -15.333 -1.579
13 2HB CYS 3 1HB CYS 3 8.975 -14.448 -2.251
14 H SER 4 H SER 4 5.743 -14.399 0.037
15 HA SER 4 HA SER 4 3.958 -13.857 -2.172
16 1HB SER 4 1HB SER 4 2.391 -15.085 -0.548
17 2HB SER 4 2HB SER 4 3.825 -15.954 -1.100
18 HG SER 4 HG SER 4 3.933 -16.317 0.936
19 H ASN 5 H ASN 5 5.095 -11.450 -0.586
20 HA ASN 5 HA ASN 5 2.519 -10.204 0.125
21 1HB ASN 5 1HB ASN 5 3.643 -11.408 2.123
22 2HB ASN 5 2HB ASN 5 4.899 -10.178 2.027
23 2HD2 ASN 5 2HD2 ASN 5 1.400 -10.768 2.630
24 1HD2 ASN 5 1HD2 ASN 5 1.150 -9.238 3.454
25 HA PRO 6 HA PRO 6 4.803 -7.061 -1.965
26 1HB PRO 6 1HB PRO 6 3.323 -4.781 -1.512
27 2HB PRO 6 2HB PRO 6 2.748 -6.151 -2.500
28 1HG PRO 6 2HG PRO 6 2.168 -5.580 0.420
29 2HG PRO 6 1HG PRO 6 1.001 -5.995 -0.878
30 1HD PRO 6 1HD PRO 6 1.981 -7.847 0.853
31 2HD PRO 6 2HD PRO 6 1.663 -8.282 -0.838
32 H ARG 7 H ARG 7 5.567 -7.643 0.782
33 HA ARG 7 HA ARG 7 6.958 -5.156 1.598
34 1HB ARG 7 1HB ARG 7 5.623 -6.566 3.349
35 2HB ARG 7 2HB ARG 7 6.996 -7.680 3.282
36 1HG ARG 7 1HG ARG 7 8.499 -5.655 3.723
37 2HG ARG 7 2HG ARG 7 7.014 -4.702 3.902
38 1HD ARG 7 1HD ARG 7 6.379 -6.366 5.777
39 2HD ARG 7 2HD ARG 7 8.066 -6.906 5.694
40 HE ARG 7 HE ARG 7 8.810 -4.864 6.537
41 1HH1 ARG 7 1HH1 ARG 7 8.592 -2.632 7.157
42 2HH1 ARG 7 2HH1 ARG 7 6.990 -2.024 7.476
43 1HH2 ARG 7 1HH2 ARG 7 5.216 -4.809 6.346
44 2HH2 ARG 7 2HH2 ARG 7 5.163 -3.162 6.895
45 H CYS 8 H CYS 8 7.657 -8.687 1.343
46 HA CYS 8 HA CYS 8 10.441 -7.995 0.614
47 1HB CYS 8 1HB CYS 8 9.933 -10.738 1.455
48 2HB CYS 8 2HB CYS 8 11.242 -9.661 1.855
49 H ALA 9 H ALA 9 8.035 -8.217 -1.202
50 HA ALA 9 HA ALA 9 8.003 -10.635 -2.584
51 1HB ALA 9 1HB ALA 9 6.251 -8.944 -2.843
52 2HB ALA 9 3HB ALA 9 7.416 -7.831 -3.598
53 3HB ALA 9 2HB ALA 9 6.941 -9.333 -4.423
54 H TRP 10 H TRP 10 10.666 -8.333 -2.740
55 HA TRP 10 HA TRP 10 11.514 -9.114 -5.369
56 1HB TRP 10 1HB TRP 10 12.819 -7.666 -3.001
57 2HB TRP 10 2HB TRP 10 13.569 -8.053 -4.476
58 HD1 TRP 10 HD1 TRP 10 10.076 -6.707 -4.724
59 HE1 TRP 10 HE1 TRP 10 10.148 -4.345 -5.738
60 HE3 TRP 10 HE3 TRP 10 15.057 -6.034 -4.578
61 HZ2 TRP 10 HZ2 TRP 10 12.222 -2.437 -6.530
62 HZ3 TRP 10 HZ3 TRP 10 16.122 -3.948 -5.479
63 HH2 TRP 10 HH2 TRP 10 14.698 -2.164 -6.462
64 H ARG 11 H ARG 11 12.851 -9.743 -2.048
65 HA ARG 11 HA ARG 11 14.513 -11.920 -2.990
66 1HB ARG 11 1HB ARG 11 13.683 -10.969 -0.203
67 2HB ARG 11 2HB ARG 11 14.765 -12.326 -0.514
68 1HG ARG 11 1HG ARG 11 16.206 -10.750 -1.892
69 2HG ARG 11 2HG ARG 11 15.258 -9.415 -1.235
70 1HD ARG 11 1HD ARG 11 17.337 -9.749 0.062
71 2HD ARG 11 2HD ARG 11 15.909 -10.047 1.055
72 HE ARG 11 HE ARG 11 16.468 -12.252 1.275
73 1HH1 ARG 11 1HH1 ARG 11 17.816 -14.151 1.129
74 2HH1 ARG 11 2HH1 ARG 11 18.928 -14.242 -0.208
75 1HH2 ARG 11 1HH2 ARG 11 18.389 -11.086 -1.565
76 2HH2 ARG 11 2HH2 ARG 11 19.286 -12.576 -1.610
77 H CYS 12 H CYS 12 14.389 -14.162 -1.976
78 HA CYS 12 HA CYS 12 12.090 -14.778 -0.502
79 1HB CYS 12 1HB CYS 12 11.163 -15.056 -2.900
80 2HB CYS 12 2HB CYS 12 12.262 -16.421 -3.059
No H/Q in entry = 80
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 5.774 -12.737 6.903
2 H2 GLY 1 H2 GLY 1 4.333 -12.925 6.113
3 H3 GLY 1 H3 GLY 1 4.830 -14.068 7.191
4 1HA GLY 1 2HA GLY 1 5.136 -14.783 4.919
5 2HA GLY 1 1HA GLY 1 6.676 -14.644 5.807
6 H CYS 2 H CYS 2 6.905 -14.534 3.078
7 HA CYS 2 HA CYS 2 7.275 -11.625 2.569
8 1HB CYS 2 1HB CYS 2 9.339 -13.704 2.977
9 2HB CYS 2 2HB CYS 2 9.557 -12.668 1.564
10 H CYS 3 H CYS 3 7.388 -14.841 0.793
11 HA CYS 3 HA CYS 3 7.151 -13.479 -1.706
12 1HB CYS 3 2HB CYS 3 5.968 -16.197 -1.036
13 2HB CYS 3 1HB CYS 3 6.292 -15.543 -2.633
14 H SER 4 H SER 4 4.639 -14.620 0.574
15 HA SER 4 HA SER 4 2.412 -13.755 -1.062
16 1HB SER 4 1HB SER 4 1.234 -14.506 1.136
17 2HB SER 4 2HB SER 4 2.100 -15.725 0.196
18 HG SER 4 HG SER 4 3.007 -16.122 2.031
19 H ASN 5 H ASN 5 4.584 -11.937 0.693
20 HA ASN 5 HA ASN 5 2.493 -10.079 1.681
21 1HB ASN 5 1HB ASN 5 4.014 -11.096 3.426
22 2HB ASN 5 2HB ASN 5 5.321 -10.120 2.729
23 2HD2 ASN 5 2HD2 ASN 5 2.072 -10.039 4.248
24 1HD2 ASN 5 1HD2 ASN 5 2.246 -8.391 4.854
25 HA PRO 6 HA PRO 6 4.359 -7.853 -1.745
26 1HB PRO 6 1HB PRO 6 2.630 -5.767 -1.989
27 2HB PRO 6 2HB PRO 6 2.187 -7.451 -2.367
28 1HG PRO 6 1HG PRO 6 1.598 -5.901 0.163
29 2HG PRO 6 2HG PRO 6 0.492 -6.935 -0.779
30 1HD PRO 6 1HD PRO 6 1.889 -7.767 1.474
31 2HD PRO 6 2HD PRO 6 1.358 -8.888 0.194
32 H ARG 7 H ARG 7 5.885 -7.705 0.406
33 HA ARG 7 HA ARG 7 6.990 -4.995 0.352
34 1HB ARG 7 1HB ARG 7 5.505 -5.130 2.328
35 2HB ARG 7 2HB ARG 7 6.376 -6.546 2.908
36 1HG ARG 7 1HG ARG 7 8.270 -5.323 3.521
37 2HG ARG 7 2HG ARG 7 7.849 -3.933 2.497
38 1HD ARG 7 1HD ARG 7 6.358 -3.081 4.033
39 2HD ARG 7 2HD ARG 7 5.893 -4.673 4.632
40 HE ARG 7 HE ARG 7 7.684 -4.779 6.070
41 1HH1 ARG 7 1HH1 ARG 7 8.917 -3.759 7.653
42 2HH1 ARG 7 2HH1 ARG 7 9.582 -2.178 7.392
43 1HH2 ARG 7 1HH2 ARG 7 7.907 -1.682 4.301
44 2HH2 ARG 7 2HH2 ARG 7 9.097 -1.055 5.405
45 H CYS 8 H CYS 8 7.520 -7.974 -0.643
46 HA CYS 8 HA CYS 8 10.280 -8.135 0.352
47 1HB CYS 8 1HB CYS 8 8.236 -9.655 1.523
48 2HB CYS 8 2HB CYS 8 9.032 -10.765 0.413
49 H ALA 9 H ALA 9 8.713 -7.900 -2.279
50 HA ALA 9 HA ALA 9 9.401 -10.174 -3.828
51 1HB ALA 9 1HB ALA 9 7.703 -8.600 -4.546
52 2HB ALA 9 3HB ALA 9 8.914 -7.301 -4.733
53 3HB ALA 9 2HB ALA 9 8.950 -8.722 -5.799
54 H TRP 10 H TRP 10 11.599 -7.759 -2.592
55 HA TRP 10 HA TRP 10 13.555 -7.731 -4.594
56 1HB TRP 10 1HB TRP 10 13.548 -7.432 -1.550
57 2HB TRP 10 2HB TRP 10 14.955 -7.280 -2.539
58 HD1 TRP 10 HD1 TRP 10 12.017 -5.657 -4.183
59 HE1 TRP 10 HE1 TRP 10 12.243 -3.146 -4.072
60 HE3 TRP 10 HE3 TRP 10 15.905 -5.394 -0.918
61 HZ2 TRP 10 HZ2 TRP 10 13.877 -1.192 -2.618
62 HZ3 TRP 10 HZ3 TRP 10 16.822 -3.185 -0.185
63 HH2 TRP 10 HH2 TRP 10 15.784 -1.078 -1.016
64 H ARG 11 H ARG 11 12.621 -10.178 -2.239
65 HA ARG 11 HA ARG 11 13.190 -12.378 -3.517
66 1HB ARG 11 1HB ARG 11 15.808 -11.507 -2.314
67 2HB ARG 11 2HB ARG 11 15.336 -13.179 -2.053
68 1HG ARG 11 1HG ARG 11 15.209 -13.674 -4.389
69 2HG ARG 11 2HG ARG 11 15.418 -11.981 -4.848
70 1HD ARG 11 1HD ARG 11 17.646 -11.995 -3.704
71 2HD ARG 11 2HD ARG 11 17.443 -13.732 -3.400
72 HE ARG 11 HE ARG 11 17.126 -13.172 -6.191
73 1HH1 ARG 11 1HH1 ARG 11 18.765 -13.724 -7.648
74 2HH1 ARG 11 2HH1 ARG 11 20.358 -14.133 -7.126
75 1HH2 ARG 11 1HH2 ARG 11 19.623 -13.399 -3.684
76 2HH2 ARG 11 2HH2 ARG 11 20.867 -13.956 -4.738
77 H CYS 12 H CYS 12 11.899 -13.744 -2.328
78 HA CYS 12 HA CYS 12 11.367 -13.063 0.522
79 1HB CYS 12 1HB CYS 12 9.825 -15.118 0.219
80 2HB CYS 12 2HB CYS 12 9.394 -13.519 -0.378
No H/Q in entry = 80
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 4.381 -15.721 5.926
2 H2 GLY 1 H2 GLY 1 4.917 -17.260 5.674
3 H3 GLY 1 H3 GLY 1 5.957 -16.102 6.242
4 1HA GLY 1 2HA GLY 1 4.650 -16.107 3.611
5 2HA GLY 1 1HA GLY 1 6.356 -16.508 3.927
6 H CYS 2 H CYS 2 7.077 -14.797 2.623
7 HA CYS 2 HA CYS 2 6.604 -12.029 3.619
8 1HB CYS 2 1HB CYS 2 8.729 -13.356 4.571
9 2HB CYS 2 2HB CYS 2 9.425 -12.897 3.034
10 H CYS 3 H CYS 3 8.288 -14.080 1.096
11 HA CYS 3 HA CYS 3 8.385 -11.914 -0.778
12 1HB CYS 3 1HB CYS 3 8.568 -13.928 -2.433
13 2HB CYS 3 2HB CYS 3 9.893 -13.444 -1.416
14 H SER 4 H SER 4 5.925 -14.433 -0.156
15 HA SER 4 HA SER 4 4.148 -13.618 -2.236
16 1HB SER 4 1HB SER 4 2.593 -15.078 -0.739
17 2HB SER 4 2HB SER 4 3.982 -15.814 -1.546
18 HG SER 4 HG SER 4 3.694 -15.088 1.177
19 H ASN 5 H ASN 5 5.138 -11.484 -0.083
20 HA ASN 5 HA ASN 5 2.503 -10.209 0.159
21 1HB ASN 5 1HB ASN 5 3.134 -11.153 2.325
22 2HB ASN 5 2HB ASN 5 4.677 -10.303 2.280
23 2HD2 ASN 5 2HD2 ASN 5 4.621 -8.517 3.560
24 1HD2 ASN 5 1HD2 ASN 5 3.332 -7.308 3.573
25 HA PRO 6 HA PRO 6 5.116 -7.158 -1.858
26 1HB PRO 6 1HB PRO 6 3.459 -5.037 -2.047
27 2HB PRO 6 2HB PRO 6 3.201 -6.536 -2.969
28 1HG PRO 6 2HG PRO 6 1.880 -5.759 -0.349
29 2HG PRO 6 1HG PRO 6 1.097 -6.361 -1.843
30 1HD PRO 6 1HD PRO 6 1.718 -7.992 0.232
31 2HD PRO 6 2HD PRO 6 1.852 -8.579 -1.436
32 H ARG 7 H ARG 7 6.223 -7.525 0.158
33 HA ARG 7 HA ARG 7 7.124 -5.027 1.387
34 1HB ARG 7 1HB ARG 7 5.453 -6.044 2.933
35 2HB ARG 7 2HB ARG 7 6.432 -7.516 3.001
36 1HG ARG 7 1HG ARG 7 8.308 -6.257 3.981
37 2HG ARG 7 2HG ARG 7 7.388 -4.750 3.864
38 1HD ARG 7 2HD ARG 7 6.722 -7.184 5.580
39 2HD ARG 7 1HD ARG 7 7.378 -5.633 6.120
40 HE ARG 7 HE ARG 7 4.851 -5.380 4.702
41 1HH1 ARG 7 1HH1 ARG 7 3.175 -4.458 5.754
42 2HH1 ARG 7 2HH1 ARG 7 3.100 -4.311 7.488
43 1HH2 ARG 7 1HH2 ARG 7 6.158 -6.107 7.929
44 2HH2 ARG 7 2HH2 ARG 7 4.877 -5.313 8.776
45 H CYS 8 H CYS 8 7.500 -8.496 0.587
46 HA CYS 8 HA CYS 8 10.431 -8.150 0.540
47 1HB CYS 8 1HB CYS 8 9.516 -10.828 1.270
48 2HB CYS 8 2HB CYS 8 10.773 -9.844 1.979
49 H ALA 9 H ALA 9 8.203 -8.100 -1.539
50 HA ALA 9 HA ALA 9 8.241 -10.587 -2.977
51 1HB ALA 9 1HB ALA 9 6.362 -8.941 -2.944
52 2HB ALA 9 3HB ALA 9 7.356 -7.829 -3.912
53 3HB ALA 9 2HB ALA 9 6.862 -9.409 -4.570
54 H TRP 10 H TRP 10 10.729 -8.204 -2.830
55 HA TRP 10 HA TRP 10 11.977 -8.727 -5.370
56 1HB TRP 10 1HB TRP 10 12.788 -7.806 -2.583
57 2HB TRP 10 2HB TRP 10 13.985 -8.347 -3.716
58 HD1 TRP 10 HD1 TRP 10 11.243 -6.442 -5.383
59 HE1 TRP 10 HE1 TRP 10 12.285 -4.300 -6.368
60 HE3 TRP 10 HE3 TRP 10 15.658 -6.493 -2.860
61 HZ2 TRP 10 HZ2 TRP 10 14.735 -2.779 -6.044
62 HZ3 TRP 10 HZ3 TRP 10 17.362 -4.726 -3.239
63 HH2 TRP 10 HH2 TRP 10 16.916 -2.884 -4.859
64 H ARG 11 H ARG 11 12.195 -10.167 -2.090
65 HA ARG 11 HA ARG 11 12.367 -12.825 -2.891
66 1HB ARG 11 1HB ARG 11 14.810 -11.927 -3.513
67 2HB ARG 11 2HB ARG 11 15.041 -11.884 -1.766
68 1HG ARG 11 1HG ARG 11 14.152 -14.344 -1.799
69 2HG ARG 11 2HG ARG 11 14.368 -14.269 -3.536
70 1HD ARG 11 1HD ARG 11 16.759 -13.925 -3.284
71 2HD ARG 11 2HD ARG 11 16.579 -13.680 -1.531
72 HE ARG 11 HE ARG 11 15.533 -16.227 -2.422
73 1HH1 ARG 11 1HH1 ARG 11 16.504 -18.088 -1.478
74 2HH1 ARG 11 2HH1 ARG 11 18.170 -18.069 -0.983
75 1HH2 ARG 11 1HH2 ARG 11 18.600 -14.596 -1.615
76 2HH2 ARG 11 2HH2 ARG 11 19.386 -16.062 -1.115
77 H CYS 12 H CYS 12 11.988 -13.997 -1.052
78 HA CYS 12 HA CYS 12 11.692 -12.778 1.573
79 1HB CYS 12 1HB CYS 12 11.728 -15.483 1.960
80 2HB CYS 12 2HB CYS 12 10.286 -14.555 1.621
No H/Q in entry = 80
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 2.838 -13.589 4.607
2 H2 GLY 1 H2 GLY 1 2.862 -14.612 5.897
3 H3 GLY 1 H3 GLY 1 3.893 -13.310 5.833
4 1HA GLY 1 2HA GLY 1 3.963 -15.656 4.072
5 2HA GLY 1 1HA GLY 1 5.140 -15.241 5.347
6 H CYS 2 H CYS 2 6.995 -14.740 4.113
7 HA CYS 2 HA CYS 2 6.951 -12.065 3.330
8 1HB CYS 2 1HB CYS 2 8.895 -13.827 4.123
9 2HB CYS 2 2HB CYS 2 9.354 -13.564 2.441
10 H CYS 3 H CYS 3 7.831 -14.806 0.948
11 HA CYS 3 HA CYS 3 7.540 -13.272 -1.316
12 1HB CYS 3 1HB CYS 3 6.476 -16.092 -0.890
13 2HB CYS 3 2HB CYS 3 6.835 -15.339 -2.434
14 H SER 4 H SER 4 4.871 -14.710 0.635
15 HA SER 4 HA SER 4 2.763 -13.969 -1.091
16 1HB SER 4 1HB SER 4 1.733 -14.395 1.427
17 2HB SER 4 2HB SER 4 1.893 -15.565 0.137
18 HG SER 4 HG SER 4 2.784 -16.453 1.897
19 H ASN 5 H ASN 5 4.721 -11.804 0.511
20 HA ASN 5 HA ASN 5 2.467 -9.895 0.869
21 1HB ASN 5 1HB ASN 5 3.324 -10.776 3.054
22 2HB ASN 5 2HB ASN 5 4.919 -10.143 2.652
23 2HD2 ASN 5 2HD2 ASN 5 1.495 -9.204 3.168
24 1HD2 ASN 5 1HD2 ASN 5 1.787 -7.533 3.553
25 HA PRO 6 HA PRO 6 5.165 -8.065 -2.025
26 1HB PRO 6 1HB PRO 6 3.871 -5.668 -2.627
27 2HB PRO 6 2HB PRO 6 3.334 -7.284 -3.166
28 1HG PRO 6 1HG PRO 6 2.368 -5.675 -0.796
29 2HG PRO 6 2HG PRO 6 1.398 -6.605 -1.979
30 1HD PRO 6 1HD PRO 6 2.070 -7.557 0.506
31 2HD PRO 6 2HD PRO 6 1.879 -8.635 -0.902
32 H ARG 7 H ARG 7 5.533 -7.351 0.788
33 HA ARG 7 HA ARG 7 7.326 -4.983 0.612
34 1HB ARG 7 1HB ARG 7 5.793 -5.468 2.631
35 2HB ARG 7 2HB ARG 7 6.891 -6.779 3.023
36 1HG ARG 7 1HG ARG 7 8.468 -4.379 2.653
37 2HG ARG 7 2HG ARG 7 7.039 -3.935 3.577
38 1HD ARG 7 2HD ARG 7 8.779 -4.527 5.123
39 2HD ARG 7 1HD ARG 7 7.531 -5.757 5.214
40 HE ARG 7 HE ARG 7 10.126 -5.937 3.750
41 1HH1 ARG 7 1HH1 ARG 7 11.215 -7.888 3.775
42 2HH1 ARG 7 2HH1 ARG 7 10.648 -9.244 4.713
43 1HH2 ARG 7 1HH2 ARG 7 7.492 -7.733 5.402
44 2HH2 ARG 7 2HH2 ARG 7 8.385 -9.190 5.561
45 H CYS 8 H CYS 8 7.335 -8.397 0.226
46 HA CYS 8 HA CYS 8 10.258 -8.601 0.586
47 1HB CYS 8 1HB CYS 8 8.200 -10.138 1.670
48 2HB CYS 8 2HB CYS 8 8.829 -11.121 0.350
49 H ALA 9 H ALA 9 8.704 -7.603 -1.854
50 HA ALA 9 HA ALA 9 8.577 -9.705 -3.725
51 1HB ALA 9 1HB ALA 9 7.402 -7.497 -3.928
52 2HB ALA 9 3HB ALA 9 8.959 -6.767 -4.374
53 3HB ALA 9 2HB ALA 9 8.240 -8.001 -5.415
54 H TRP 10 H TRP 10 11.209 -7.415 -3.162
55 HA TRP 10 HA TRP 10 12.999 -8.237 -5.191
56 1HB TRP 10 1HB TRP 10 13.187 -6.986 -2.423
57 2HB TRP 10 2HB TRP 10 14.587 -7.249 -3.400
58 HD1 TRP 10 HD1 TRP 10 12.040 -6.111 -5.735
59 HE1 TRP 10 HE1 TRP 10 12.168 -3.589 -6.162
60 HE3 TRP 10 HE3 TRP 10 15.070 -4.777 -1.832
61 HZ2 TRP 10 HZ2 TRP 10 13.597 -1.308 -5.077
62 HZ3 TRP 10 HZ3 TRP 10 15.765 -2.416 -1.531
63 HH2 TRP 10 HH2 TRP 10 15.055 -0.684 -3.160
64 H ARG 11 H ARG 11 12.273 -9.504 -2.006
65 HA ARG 11 HA ARG 11 14.428 -11.469 -1.842
66 1HB ARG 11 1HB ARG 11 13.164 -10.182 0.096
67 2HB ARG 11 2HB ARG 11 11.924 -11.399 -0.171
68 1HG ARG 11 2HG ARG 11 13.200 -12.171 1.605
69 2HG ARG 11 1HG ARG 11 13.702 -13.171 0.257
70 1HD ARG 11 1HD ARG 11 15.768 -11.844 0.010
71 2HD ARG 11 2HD ARG 11 15.218 -10.745 1.284
72 HE ARG 11 HE ARG 11 15.507 -13.651 1.817
73 1HH1 ARG 11 1HH1 ARG 11 16.459 -14.306 3.697
74 2HH1 ARG 11 2HH1 ARG 11 17.525 -13.241 4.577
75 1HH2 ARG 11 1HH2 ARG 11 16.617 -10.336 2.754
76 2HH2 ARG 11 2HH2 ARG 11 17.412 -10.957 4.155
77 H CYS 12 H CYS 12 12.420 -13.448 -0.902
78 HA CYS 12 HA CYS 12 11.380 -15.255 -1.568
79 1HB CYS 12 1HB CYS 12 9.941 -13.616 -2.995
80 2HB CYS 12 2HB CYS 12 10.800 -14.339 -4.356
No H/Q in entry = 80
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 9.989 -17.973 2.468
2 H2 GLY 1 H2 GLY 1 9.766 -17.436 4.017
3 H3 GLY 1 H3 GLY 1 9.137 -18.884 3.556
4 1HA GLY 1 2HA GLY 1 7.459 -17.175 3.714
5 2HA GLY 1 1HA GLY 1 7.597 -17.883 2.097
6 H CYS 2 H CYS 2 7.147 -15.049 3.577
7 HA CYS 2 HA CYS 2 7.129 -12.951 3.083
8 1HB CYS 2 1HB CYS 2 9.811 -13.568 3.301
9 2HB CYS 2 2HB CYS 2 9.740 -12.636 1.809
10 H CYS 3 H CYS 3 8.096 -14.801 0.134
11 HA CYS 3 HA CYS 3 7.082 -12.852 -1.682
12 1HB CYS 3 1HB CYS 3 7.707 -15.755 -1.778
13 2HB CYS 3 2HB CYS 3 6.459 -15.230 -2.905
14 H SER 4 H SER 4 5.287 -14.153 0.798
15 HA SER 4 HA SER 4 2.687 -14.111 -0.551
16 1HB SER 4 1HB SER 4 2.107 -14.420 2.035
17 2HB SER 4 2HB SER 4 2.669 -15.761 1.034
18 HG SER 4 HG SER 4 3.714 -15.516 3.104
19 H ASN 5 H ASN 5 4.836 -11.700 0.247
20 HA ASN 5 HA ASN 5 2.733 -9.859 1.263
21 1HB ASN 5 1HB ASN 5 4.060 -10.628 3.107
22 2HB ASN 5 2HB ASN 5 5.549 -10.439 2.203
23 2HD2 ASN 5 2HD2 ASN 5 2.830 -8.417 3.489
24 1HD2 ASN 5 1HD2 ASN 5 3.866 -7.063 3.821
25 HA PRO 6 HA PRO 6 4.583 -7.481 -2.031
26 1HB PRO 6 1HB PRO 6 2.846 -5.363 -2.196
27 2HB PRO 6 2HB PRO 6 2.338 -7.034 -2.574
28 1HG PRO 6 2HG PRO 6 2.023 -5.558 0.065
29 2HG PRO 6 1HG PRO 6 0.766 -6.433 -0.869
30 1HD PRO 6 1HD PRO 6 2.150 -7.588 1.194
31 2HD PRO 6 2HD PRO 6 1.586 -8.521 -0.220
32 H ARG 7 H ARG 7 5.618 -7.193 0.682
33 HA ARG 7 HA ARG 7 7.007 -4.610 0.245
34 1HB ARG 7 1HB ARG 7 5.453 -4.692 2.304
35 2HB ARG 7 2HB ARG 7 6.613 -5.797 3.018
36 1HG ARG 7 1HG ARG 7 8.200 -4.230 3.347
37 2HG ARG 7 2HG ARG 7 7.834 -3.339 1.875
38 1HD ARG 7 1HD ARG 7 5.639 -3.194 3.881
39 2HD ARG 7 2HD ARG 7 7.173 -2.576 4.470
40 HE ARG 7 HE ARG 7 6.956 -0.754 3.199
41 1HH1 ARG 7 1HH1 ARG 7 6.172 0.637 1.624
42 2HH1 ARG 7 2HH1 ARG 7 5.332 0.036 0.214
43 1HH2 ARG 7 1HH2 ARG 7 4.963 -3.221 1.545
44 2HH2 ARG 7 2HH2 ARG 7 4.432 -2.141 0.305
45 H CYS 8 H CYS 8 7.238 -7.829 -0.079
46 HA CYS 8 HA CYS 8 10.113 -8.015 0.617
47 1HB CYS 8 1HB CYS 8 7.878 -9.302 1.826
48 2HB CYS 8 2HB CYS 8 8.605 -10.504 0.791
49 H ALA 9 H ALA 9 8.930 -7.236 -1.893
50 HA ALA 9 HA ALA 9 8.313 -9.137 -3.749
51 1HB ALA 9 1HB ALA 9 8.150 -6.743 -4.151
52 2HB ALA 9 3HB ALA 9 9.074 -7.520 -5.444
53 3HB ALA 9 2HB ALA 9 9.909 -6.583 -4.185
54 H TRP 10 H TRP 10 11.539 -7.709 -3.795
55 HA TRP 10 HA TRP 10 12.725 -9.934 -5.159
56 1HB TRP 10 1HB TRP 10 13.559 -7.195 -4.134
57 2HB TRP 10 2HB TRP 10 14.686 -8.293 -4.890
58 HD1 TRP 10 HD1 TRP 10 11.564 -8.691 -6.747
59 HE1 TRP 10 HE1 TRP 10 11.625 -7.407 -8.945
60 HE3 TRP 10 HE3 TRP 10 15.516 -5.621 -5.757
61 HZ2 TRP 10 HZ2 TRP 10 13.087 -5.181 -10.074
62 HZ3 TRP 10 HZ3 TRP 10 16.194 -3.871 -7.391
63 HH2 TRP 10 HH2 TRP 10 14.991 -3.664 -9.551
64 H ARG 11 H ARG 11 11.789 -10.172 -2.174
65 HA ARG 11 HA ARG 11 14.175 -11.264 -0.869
66 1HB ARG 11 1HB ARG 11 11.956 -10.243 0.209
67 2HB ARG 11 2HB ARG 11 11.326 -11.854 -0.082
68 1HG ARG 11 1HG ARG 11 12.068 -11.984 2.097
69 2HG ARG 11 2HG ARG 11 13.450 -12.668 1.255
70 1HD ARG 11 1HD ARG 11 13.232 -9.747 2.092
71 2HD ARG 11 2HD ARG 11 13.898 -10.998 3.122
72 HE ARG 11 HE ARG 11 15.591 -11.469 1.430
73 1HH1 ARG 11 1HH1 ARG 11 17.343 -10.498 0.446
74 2HH1 ARG 11 2HH1 ARG 11 17.506 -8.777 0.330
75 1HH2 ARG 11 1HH2 ARG 11 14.151 -8.195 1.429
76 2HH2 ARG 11 2HH2 ARG 11 15.625 -7.404 1.019
77 H CYS 12 H CYS 12 12.650 -13.707 -0.129
78 HA CYS 12 HA CYS 12 12.259 -15.788 -0.714
79 1HB CYS 12 1HB CYS 12 11.172 -15.342 -3.329
80 2HB CYS 12 2HB CYS 12 10.432 -15.975 -1.876
No H/Q in entry = 80
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 6.699 -17.482 2.738
2 H2 GLY 1 H2 GLY 1 7.514 -17.563 4.160
3 H3 GLY 1 H3 GLY 1 5.886 -17.822 4.133
4 1HA GLY 1 2HA GLY 1 6.523 -15.631 5.014
5 2HA GLY 1 1HA GLY 1 5.404 -15.600 3.640
6 H CYS 2 H CYS 2 6.411 -13.334 3.688
7 HA CYS 2 HA CYS 2 7.266 -11.767 2.480
8 1HB CYS 2 1HB CYS 2 9.761 -13.310 2.817
9 2HB CYS 2 2HB CYS 2 9.717 -12.118 1.534
10 H CYS 3 H CYS 3 8.107 -14.837 0.683
11 HA CYS 3 HA CYS 3 7.694 -13.936 -1.859
12 1HB CYS 3 1HB CYS 3 6.763 -16.515 -0.561
13 2HB CYS 3 2HB CYS 3 6.434 -16.185 -2.249
14 H SER 4 H SER 4 5.021 -14.504 0.501
15 HA SER 4 HA SER 4 2.949 -13.917 -1.416
16 1HB SER 4 1HB SER 4 1.840 -14.035 1.100
17 2HB SER 4 2HB SER 4 2.041 -15.371 -0.026
18 HG SER 4 HG SER 4 2.797 -15.822 2.084
19 H ASN 5 H ASN 5 5.022 -11.907 0.267
20 HA ASN 5 HA ASN 5 2.892 -10.087 1.254
21 1HB ASN 5 1HB ASN 5 4.369 -11.078 2.894
22 2HB ASN 5 2HB ASN 5 5.778 -10.290 2.135
23 2HD2 ASN 5 2HD2 ASN 5 5.585 -9.687 4.736
24 1HD2 ASN 5 1HD2 ASN 5 4.746 -8.174 5.002
25 HA PRO 6 HA PRO 6 4.597 -7.284 -1.933
26 1HB PRO 6 1HB PRO 6 2.666 -5.364 -1.834
27 2HB PRO 6 2HB PRO 6 2.401 -6.968 -2.577
28 1HG PRO 6 1HG PRO 6 1.608 -6.018 0.177
29 2HG PRO 6 2HG PRO 6 0.625 -6.941 -1.004
30 1HD PRO 6 1HD PRO 6 2.000 -8.064 1.100
31 2HD PRO 6 2HD PRO 6 1.686 -8.966 -0.391
32 H ARG 7 H ARG 7 6.050 -7.402 0.206
33 HA ARG 7 HA ARG 7 6.676 -4.642 1.054
34 1HB ARG 7 1HB ARG 7 5.146 -5.810 2.719
35 2HB ARG 7 2HB ARG 7 6.417 -6.999 2.976
36 1HG ARG 7 1HG ARG 7 7.843 -5.458 4.018
37 2HG ARG 7 2HG ARG 7 6.989 -4.052 3.361
38 1HD ARG 7 1HD ARG 7 5.669 -5.985 5.314
39 2HD ARG 7 2HD ARG 7 6.612 -4.584 5.834
40 HE ARG 7 HE ARG 7 4.458 -4.073 3.895
41 1HH1 ARG 7 1HH1 ARG 7 3.124 -2.266 4.398
42 2HH1 ARG 7 2HH1 ARG 7 2.960 -1.751 6.037
43 1HH2 ARG 7 1HH2 ARG 7 5.360 -4.006 7.333
44 2HH2 ARG 7 2HH2 ARG 7 4.222 -2.777 7.754
45 H CYS 8 H CYS 8 7.666 -7.982 0.347
46 HA CYS 8 HA CYS 8 10.496 -7.142 0.460
47 1HB CYS 8 1HB CYS 8 10.436 -9.880 1.181
48 2HB CYS 8 2HB CYS 8 10.914 -8.530 2.167
49 H ALA 9 H ALA 9 8.416 -7.620 -1.740
50 HA ALA 9 HA ALA 9 8.477 -10.242 -2.650
51 1HB ALA 9 1HB ALA 9 6.812 -8.510 -3.285
52 2HB ALA 9 3HB ALA 9 8.025 -7.792 -4.365
53 3HB ALA 9 2HB ALA 9 7.422 -9.429 -4.675
54 H TRP 10 H TRP 10 11.048 -7.922 -3.259
55 HA TRP 10 HA TRP 10 12.412 -9.220 -5.357
56 1HB TRP 10 1HB TRP 10 13.111 -7.495 -2.976
57 2HB TRP 10 2HB TRP 10 14.334 -8.154 -4.034
58 HD1 TRP 10 HD1 TRP 10 11.653 -7.373 -6.289
59 HE1 TRP 10 HE1 TRP 10 12.086 -5.193 -7.535
60 HE3 TRP 10 HE3 TRP 10 14.992 -5.290 -3.038
61 HZ2 TRP 10 HZ2 TRP 10 13.572 -2.749 -7.076
62 HZ3 TRP 10 HZ3 TRP 10 15.810 -2.977 -3.393
63 HH2 TRP 10 HH2 TRP 10 15.129 -1.708 -5.412
64 H ARG 11 H ARG 11 12.544 -9.703 -1.865
65 HA ARG 11 HA ARG 11 14.593 -11.727 -1.864
66 1HB ARG 11 2HB ARG 11 12.562 -11.025 0.291
67 2HB ARG 11 1HB ARG 11 14.118 -11.818 0.521
68 1HG ARG 11 1HG ARG 11 15.296 -9.726 -0.169
69 2HG ARG 11 2HG ARG 11 13.703 -8.917 -0.287
70 1HD ARG 11 1HD ARG 11 13.225 -9.741 2.049
71 2HD ARG 11 2HD ARG 11 14.931 -10.227 2.169
72 HE ARG 11 HE ARG 11 15.047 -7.587 1.411
73 1HH1 ARG 11 1HH1 ARG 11 15.334 -5.943 3.046
74 2HH1 ARG 11 2HH1 ARG 11 14.518 -6.063 4.576
75 1HH2 ARG 11 1HH2 ARG 11 13.481 -9.415 4.036
76 2HH2 ARG 11 2HH2 ARG 11 13.482 -8.116 5.178
77 H CYS 12 H CYS 12 13.656 -13.577 -0.109
78 HA CYS 12 HA CYS 12 12.435 -15.402 0.371
79 1HB CYS 12 1HB CYS 12 10.399 -14.163 0.041
80 2HB CYS 12 2HB CYS 12 10.417 -14.575 -1.684
No H/Q in entry = 80
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 4.071 -12.810 6.142
2 H2 GLY 1 H2 GLY 1 4.187 -14.371 6.666
3 H3 GLY 1 H3 GLY 1 5.503 -13.369 6.729
4 1HA GLY 1 2HA GLY 1 4.188 -14.352 4.293
5 2HA GLY 1 1HA GLY 1 5.765 -14.870 4.926
6 H CYS 2 H CYS 2 6.653 -14.125 2.800
7 HA CYS 2 HA CYS 2 7.272 -11.217 2.952
8 1HB CYS 2 1HB CYS 2 8.990 -13.589 3.261
9 2HB CYS 2 2HB CYS 2 9.539 -12.519 2.001
10 H CYS 3 H CYS 3 7.552 -14.083 0.698
11 HA CYS 3 HA CYS 3 7.466 -12.406 -1.646
12 1HB CYS 3 2HB CYS 3 6.615 -15.259 -1.822
13 2HB CYS 3 1HB CYS 3 7.755 -14.353 -2.788
14 H SER 4 H SER 4 5.240 -14.400 0.244
15 HA SER 4 HA SER 4 2.870 -14.023 -1.358
16 1HB SER 4 1HB SER 4 1.868 -15.209 0.672
17 2HB SER 4 2HB SER 4 3.153 -16.073 -0.168
18 HG SER 4 HG SER 4 3.270 -15.992 2.181
19 H ASN 5 H ASN 5 4.265 -11.547 -0.374
20 HA ASN 5 HA ASN 5 2.131 -10.058 0.931
21 1HB ASN 5 1HB ASN 5 3.441 -11.134 2.654
22 2HB ASN 5 2HB ASN 5 4.960 -10.533 1.988
23 2HD2 ASN 5 2HD2 ASN 5 4.790 -9.999 4.527
24 1HD2 ASN 5 1HD2 ASN 5 4.257 -8.345 4.845
25 HA PRO 6 HA PRO 6 4.502 -7.334 -1.921
26 1HB PRO 6 1HB PRO 6 3.034 -5.045 -1.688
27 2HB PRO 6 2HB PRO 6 2.488 -6.464 -2.617
28 1HG PRO 6 2HG PRO 6 1.665 -5.646 0.162
29 2HG PRO 6 1HG PRO 6 0.643 -6.276 -1.171
30 1HD PRO 6 1HD PRO 6 1.642 -7.782 0.935
31 2HD PRO 6 2HD PRO 6 1.220 -8.510 -0.618
32 H ARG 7 H ARG 7 6.088 -7.840 -0.132
33 HA ARG 7 HA ARG 7 6.924 -5.354 1.233
34 1HB ARG 7 1HB ARG 7 5.629 -6.693 2.866
35 2HB ARG 7 2HB ARG 7 6.650 -8.089 2.573
36 1HG ARG 7 1HG ARG 7 8.638 -6.781 3.390
37 2HG ARG 7 2HG ARG 7 7.578 -5.421 3.761
38 1HD ARG 7 1HD ARG 7 7.081 -8.211 4.879
39 2HD ARG 7 2HD ARG 7 8.225 -7.106 5.647
40 HE ARG 7 HE ARG 7 6.077 -5.502 5.466
41 1HH1 ARG 7 1HH1 ARG 7 4.587 -5.164 6.967
42 2HH1 ARG 7 2HH1 ARG 7 4.121 -6.349 8.161
43 1HH2 ARG 7 1HH2 ARG 7 6.375 -8.810 6.842
44 2HH2 ARG 7 2HH2 ARG 7 5.271 -8.433 8.130
45 H CYS 8 H CYS 8 8.061 -8.768 1.308
46 HA CYS 8 HA CYS 8 10.743 -7.696 0.813
47 1HB CYS 8 1HB CYS 8 10.496 -10.553 1.443
48 2HB CYS 8 2HB CYS 8 11.533 -9.351 2.170
49 H ALA 9 H ALA 9 8.513 -8.674 -1.060
50 HA ALA 9 HA ALA 9 9.070 -11.041 -2.248
51 1HB ALA 9 1HB ALA 9 6.947 -9.844 -2.485
52 2HB ALA 9 2HB ALA 9 7.729 -8.650 -3.551
53 3HB ALA 9 3HB ALA 9 7.555 -10.336 -4.073
54 H TRP 10 H TRP 10 10.951 -8.168 -2.910
55 HA TRP 10 HA TRP 10 12.018 -8.715 -5.456
56 1HB TRP 10 1HB TRP 10 13.053 -7.426 -2.870
57 2HB TRP 10 2HB TRP 10 13.935 -7.497 -4.363
58 HD1 TRP 10 HD1 TRP 10 10.320 -6.582 -4.739
59 HE1 TRP 10 HE1 TRP 10 10.137 -4.111 -5.429
60 HE3 TRP 10 HE3 TRP 10 15.113 -5.216 -3.852
61 HZ2 TRP 10 HZ2 TRP 10 11.891 -1.774 -5.421
62 HZ3 TRP 10 HZ3 TRP 10 15.866 -2.855 -4.173
63 HH2 TRP 10 HH2 TRP 10 14.249 -1.133 -4.965
64 H ARG 11 H ARG 11 13.472 -9.361 -2.245
65 HA ARG 11 HA ARG 11 15.000 -11.650 -3.164
66 1HB ARG 11 1HB ARG 11 14.676 -10.157 -0.543
67 2HB ARG 11 2HB ARG 11 15.458 -11.733 -0.532
68 1HG ARG 11 1HG ARG 11 16.377 -9.558 -2.423
69 2HG ARG 11 2HG ARG 11 16.975 -9.682 -0.764
70 1HD ARG 11 1HD ARG 11 17.791 -11.976 -1.194
71 2HD ARG 11 2HD ARG 11 17.145 -11.915 -2.835
72 HE ARG 11 HE ARG 11 18.844 -10.574 -3.541
73 1HH1 ARG 11 1HH1 ARG 11 20.932 -9.655 -3.420
74 2HH1 ARG 11 2HH1 ARG 11 21.743 -9.461 -1.907
75 1HH2 ARG 11 1HH2 ARG 11 19.201 -10.974 0.025
76 2HH2 ARG 11 2HH2 ARG 11 20.634 -9.972 0.045
77 H CYS 12 H CYS 12 12.022 -11.771 -3.274
78 HA CYS 12 HA CYS 12 10.196 -13.049 -2.625
79 1HB CYS 12 1HB CYS 12 11.794 -14.835 -3.516
80 2HB CYS 12 2HB CYS 12 12.183 -15.201 -1.856
No H/Q in entry = 80
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