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 |
|
|
575950 |
2mi1   |
19663 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 3.711 0.736 2.336
2 H2 ALA 1 H2 ALA 1 4.775 1.795 1.652
3 H3 ALA 1 H3 ALA 1 5.098 1.141 3.132
4 HA ALA 1 HA ALA 1 2.701 2.705 2.691
5 HB1 ALA 1 HB1 ALA 1 2.950 3.101 5.124
6 HB2 ALA 1 HB2 ALA 1 4.435 2.120 5.123
7 HB3 ALA 1 HB3 ALA 1 2.870 1.365 4.741
8 H GLY 2 H GLY 2 6.148 2.762 2.699
9 HA2 GLY 2 HA2 GLY 2 6.231 5.712 2.983
10 HA3 GLY 2 HA3 GLY 2 7.629 4.616 2.930
11 H CYS 3 H CYS 3 6.996 7.086 1.423
12 HA CYS 3 HA CYS 3 7.281 7.890 -0.709
13 HB2 CYS 3 HB2 CYS 3 8.230 5.087 -1.356
14 HB3 CYS 3 HB3 CYS 3 8.471 6.528 -2.355
15 HG CYS 3 HG CYS 3 10.791 5.467 -0.637
16 H LYS 4 H LYS 4 5.424 8.438 -1.538
17 HA LYS 4 HA LYS 4 3.850 6.309 -2.888
18 HB2 LYS 4 HB2 LYS 4 1.770 7.239 -2.113
19 HB3 LYS 4 HB3 LYS 4 2.803 6.887 -0.711
20 HG2 LYS 4 HG2 LYS 4 3.541 9.457 -1.205
21 HG3 LYS 4 HG3 LYS 4 1.863 9.504 -1.790
22 HD2 LYS 4 HD3 LYS 4 1.114 8.543 0.393
23 HD3 LYS 4 HD2 LYS 4 2.795 8.604 0.967
24 HE2 LYS 4 HE2 LYS 4 2.316 11.183 -0.016
25 HE3 LYS 4 HE3 LYS 4 0.802 10.742 0.806
26 HZ1 LYS 4 HZ1 LYS 4 2.370 11.741 2.309
27 HZ2 LYS 4 HZ2 LYS 4 2.094 10.173 2.740
28 HZ3 LYS 4 HZ3 LYS 4 3.498 10.584 1.977
29 H ASN 5 H ASN 5 4.352 6.694 -4.911
30 HA ASN 5 HA ASN 5 5.083 9.051 -6.159
31 HB2 ASN 5 HB2 ASN 5 4.156 8.129 -8.249
32 HB3 ASN 5 HB3 ASN 5 4.998 6.865 -7.326
33 HD21 ASN 5 HD21 ASN 5 3.043 6.488 -9.357
34 HD22 ASN 5 HD22 ASN 5 1.660 5.682 -8.651
35 H PHE 6 H PHE 6 3.988 10.634 -7.362
36 HA PHE 6 HA PHE 6 2.238 12.103 -7.868
37 HB2 PHE 6 HB2 PHE 6 1.039 9.669 -7.765
38 HB3 PHE 6 HB3 PHE 6 0.232 10.446 -6.393
39 HD1 PHE 6 HD1 PHE 6 1.248 11.531 -9.822
40 HD2 PHE 6 HD2 PHE 6 -1.841 11.243 -6.952
41 HE1 PHE 6 HE1 PHE 6 -0.324 12.668 -11.399
42 HE2 PHE 6 HE2 PHE 6 -3.413 12.379 -8.529
43 HZ PHE 6 HZ PHE 6 -2.635 13.077 -10.735
44 H PHE 7 H PHE 7 0.449 13.359 -6.693
45 HA PHE 7 HA PHE 7 0.073 14.908 -4.985
46 HB2 PHE 7 HB2 PHE 7 0.388 12.284 -3.473
47 HB3 PHE 7 HB3 PHE 7 -0.312 13.754 -2.777
48 HD1 PHE 7 HD2 PHE 7 -2.138 14.776 -4.639
49 HD2 PHE 7 HD1 PHE 7 -1.210 10.714 -3.923
50 HE1 PHE 7 HE2 PHE 7 -4.383 14.108 -5.514
51 HE2 PHE 7 HE1 PHE 7 -3.454 10.047 -4.800
52 HZ PHE 7 HZ PHE 7 -5.015 11.753 -5.583
53 H TRP 8 H TRP 8 2.797 14.722 -5.798
54 HA TRP 8 HA TRP 8 4.036 15.879 -3.425
55 HB2 TRP 8 HB3 TRP 8 4.432 13.396 -3.193
56 HB3 TRP 8 HB2 TRP 8 5.374 13.478 -4.691
57 HD1 TRP 8 HD1 TRP 8 5.567 14.618 -1.010
58 HE1 TRP 8 HE1 TRP 8 8.009 15.223 -0.407
59 HE3 TRP 8 HE3 TRP 8 7.490 14.227 -5.684
60 HZ2 TRP 8 HZ2 TRP 8 10.459 15.491 -1.814
61 HZ3 TRP 8 HZ3 TRP 8 9.916 14.679 -5.981
62 HH2 TRP 8 HH2 TRP 8 11.386 15.291 -4.140
63 H LYS 9 H LYS 9 5.397 14.342 -6.324
64 HA LYS 9 HA LYS 9 5.703 16.989 -7.576
65 HB2 LYS 9 HB2 LYS 9 7.720 16.486 -6.063
66 HB3 LYS 9 HB3 LYS 9 8.159 15.260 -7.273
67 HG2 LYS 9 HG2 LYS 9 8.356 16.909 -9.002
68 HG3 LYS 9 HG3 LYS 9 7.594 18.158 -7.993
69 HD2 LYS 9 HD2 LYS 9 9.505 18.180 -6.488
70 HD3 LYS 9 HD3 LYS 9 10.244 16.807 -7.341
71 HE2 LYS 9 HE3 LYS 9 10.424 18.192 -9.393
72 HE3 LYS 9 HE2 LYS 9 9.705 19.564 -8.520
73 HZ1 LYS 9 HZ1 LYS 9 12.092 19.682 -8.548
74 HZ2 LYS 9 HZ2 LYS 9 12.220 18.213 -7.810
75 HZ3 LYS 9 HZ3 LYS 9 11.553 19.487 -7.002
76 H THR 10 H THR 10 3.987 14.921 -8.166
77 HA THR 10 HA THR 10 3.337 13.509 -9.870
78 HB THR 10 HB THR 10 3.647 14.481 -12.075
79 HG1 THR 10 HG1 THR 10 5.547 15.561 -12.476
80 HG21 THR 10 HG21 THR 10 3.081 16.749 -11.698
81 HG22 THR 10 HG22 THR 10 4.250 16.913 -10.367
82 HG23 THR 10 HG23 THR 10 2.709 16.065 -10.098
83 H PHE 11 H PHE 11 5.869 12.950 -8.363
84 HA PHE 11 HA PHE 11 6.940 10.924 -10.293
85 HB2 PHE 11 HB3 PHE 11 8.253 13.222 -9.282
86 HB3 PHE 11 HB2 PHE 11 8.885 11.862 -8.339
87 HD1 PHE 11 HD2 PHE 11 8.311 12.965 -11.841
88 HD2 PHE 11 HD1 PHE 11 10.555 10.519 -9.223
89 HE1 PHE 11 HE2 PHE 11 9.848 12.364 -13.719
90 HE2 PHE 11 HE1 PHE 11 12.091 9.919 -11.103
91 HZ PHE 11 HZ PHE 11 11.721 10.851 -13.327
92 H THR 12 H THR 12 8.654 9.604 -8.771
93 HA THR 12 HA THR 12 7.228 7.791 -7.304
94 HB THR 12 HB THR 12 9.729 7.781 -7.961
95 HG1 THR 12 HG1 THR 12 8.576 6.206 -6.650
96 HG21 THR 12 HG21 THR 12 11.294 8.433 -6.199
97 HG22 THR 12 HG22 THR 12 9.960 8.865 -5.102
98 HG23 THR 12 HG23 THR 12 10.296 9.869 -6.533
99 H SER 13 H SER 13 8.127 11.004 -6.351
100 HA SER 13 HA SER 13 7.419 12.290 -4.572
101 HB2 SER 13 HB2 SER 13 5.746 9.975 -3.584
102 HB3 SER 13 HB3 SER 13 5.492 11.713 -3.330
103 HG SER 13 HG SER 13 4.846 11.916 -5.453
104 H CYS 14 H CYS 14 6.673 11.190 -1.950
105 HA CYS 14 HA CYS 14 7.659 10.226 -0.066
106 HB2 CYS 14 HB2 CYS 14 8.903 8.735 -1.860
107 HB3 CYS 14 HB3 CYS 14 10.278 9.770 -1.448
108 HG CYS 14 HG CYS 14 9.622 9.069 1.484
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 1.965 4.971 4.595
2 H2 ALA 1 H2 ALA 1 1.395 6.023 5.730
3 H3 ALA 1 H3 ALA 1 2.539 4.908 6.140
4 HA ALA 1 HA ALA 1 2.873 7.137 4.289
5 HB1 ALA 1 HB1 ALA 1 4.409 8.006 6.026
6 HB2 ALA 1 HB2 ALA 1 2.746 7.840 6.637
7 HB3 ALA 1 HB3 ALA 1 3.981 6.637 7.079
8 H GLY 2 H GLY 2 4.778 7.234 3.202
9 HA2 GLY 2 HA2 GLY 2 7.100 5.758 3.562
10 HA3 GLY 2 HA3 GLY 2 6.032 4.683 2.632
11 H CYS 3 H CYS 3 6.407 4.742 0.556
12 HA CYS 3 HA CYS 3 6.941 7.384 -0.707
13 HB2 CYS 3 HB3 CYS 3 9.050 5.974 -0.403
14 HB3 CYS 3 HB2 CYS 3 8.338 4.849 -1.569
15 HG CYS 3 HG CYS 3 8.319 6.672 -3.734
16 H LYS 4 H LYS 4 5.368 7.815 -2.020
17 HA LYS 4 HA LYS 4 4.390 5.700 -3.822
18 HB2 LYS 4 HB2 LYS 4 2.049 6.065 -3.306
19 HB3 LYS 4 HB3 LYS 4 2.921 5.555 -1.844
20 HG2 LYS 4 HG2 LYS 4 3.169 8.272 -1.661
21 HG3 LYS 4 HG3 LYS 4 1.595 8.142 -2.475
22 HD2 LYS 4 HD3 LYS 4 1.283 6.245 -0.554
23 HD3 LYS 4 HD2 LYS 4 2.399 7.345 0.284
24 HE2 LYS 4 HE3 LYS 4 0.490 8.446 0.860
25 HE3 LYS 4 HE2 LYS 4 0.627 9.138 -0.772
26 HZ1 LYS 4 HZ1 LYS 4 -1.548 8.232 -0.371
27 HZ2 LYS 4 HZ2 LYS 4 -0.920 6.741 -0.053
28 HZ3 LYS 4 HZ3 LYS 4 -0.792 7.384 -1.567
29 H ASN 5 H ASN 5 4.649 6.467 -5.741
30 HA ASN 5 HA ASN 5 5.307 9.011 -6.539
31 HB2 ASN 5 HB2 ASN 5 4.345 8.510 -8.743
32 HB3 ASN 5 HB3 ASN 5 5.167 7.074 -8.095
33 HD21 ASN 5 HD21 ASN 5 4.029 5.617 -9.280
34 HD22 ASN 5 HD22 ASN 5 2.339 5.252 -9.016
35 H PHE 6 H PHE 6 4.077 10.688 -7.630
36 HA PHE 6 HA PHE 6 2.284 12.181 -7.816
37 HB2 PHE 6 HB2 PHE 6 1.095 9.752 -7.795
38 HB3 PHE 6 HB3 PHE 6 0.466 10.377 -6.262
39 HD1 PHE 6 HD2 PHE 6 1.023 11.748 -9.694
40 HD2 PHE 6 HD1 PHE 6 -1.639 11.261 -6.449
41 HE1 PHE 6 HE2 PHE 6 -0.733 13.016 -10.944
42 HE2 PHE 6 HE1 PHE 6 -3.393 12.530 -7.697
43 HZ PHE 6 HZ PHE 6 -2.920 13.391 -9.930
44 H PHE 7 H PHE 7 0.571 13.257 -6.317
45 HA PHE 7 HA PHE 7 0.497 14.733 -4.486
46 HB2 PHE 7 HB2 PHE 7 0.439 11.874 -3.562
47 HB3 PHE 7 HB3 PHE 7 0.476 13.144 -2.328
48 HD1 PHE 7 HD1 PHE 7 -1.264 15.149 -2.984
49 HD2 PHE 7 HD2 PHE 7 -1.646 11.077 -4.052
50 HE1 PHE 7 HE1 PHE 7 -3.736 15.443 -3.225
51 HE2 PHE 7 HE2 PHE 7 -4.116 11.371 -4.292
52 HZ PHE 7 HZ PHE 7 -5.132 13.551 -3.876
53 H TRP 8 H TRP 8 3.145 14.457 -5.482
54 HA TRP 8 HA TRP 8 4.601 15.227 -3.062
55 HB2 TRP 8 HB2 TRP 8 4.860 12.720 -3.249
56 HB3 TRP 8 HB3 TRP 8 5.731 12.993 -4.767
57 HD1 TRP 8 HD1 TRP 8 6.155 13.453 -0.968
58 HE1 TRP 8 HE1 TRP 8 8.643 13.871 -0.398
59 HE3 TRP 8 HE3 TRP 8 7.829 13.896 -5.731
60 HZ2 TRP 8 HZ2 TRP 8 11.030 14.335 -1.864
61 HZ3 TRP 8 HZ3 TRP 8 10.252 14.331 -6.073
62 HH2 TRP 8 HH2 TRP 8 11.832 14.551 -4.233
63 H LYS 9 H LYS 9 5.655 14.089 -6.260
64 HA LYS 9 HA LYS 9 5.989 16.865 -7.156
65 HB2 LYS 9 HB3 LYS 9 8.075 16.112 -5.824
66 HB3 LYS 9 HB2 LYS 9 8.426 15.093 -7.237
67 HG2 LYS 9 HG2 LYS 9 9.505 16.951 -7.988
68 HG3 LYS 9 HG3 LYS 9 7.872 17.458 -8.473
69 HD2 LYS 9 HD3 LYS 9 8.027 19.236 -7.107
70 HD3 LYS 9 HD2 LYS 9 8.204 18.144 -5.716
71 HE2 LYS 9 HE2 LYS 9 10.714 17.986 -6.590
72 HE3 LYS 9 HE3 LYS 9 10.318 19.559 -7.319
73 HZ1 LYS 9 HZ1 LYS 9 11.220 19.801 -5.118
74 HZ2 LYS 9 HZ2 LYS 9 10.025 18.864 -4.474
75 HZ3 LYS 9 HZ3 LYS 9 9.656 20.323 -5.148
76 H THR 10 H THR 10 4.207 14.913 -7.916
77 HA THR 10 HA THR 10 3.456 13.719 -9.744
78 HB THR 10 HB THR 10 5.134 15.791 -11.247
79 HG1 THR 10 HG1 THR 10 3.148 16.987 -10.858
80 HG21 THR 10 HG21 THR 10 3.253 15.695 -12.849
81 HG22 THR 10 HG22 THR 10 2.399 14.519 -11.821
82 HG23 THR 10 HG23 THR 10 3.899 14.048 -12.656
83 H PHE 11 H PHE 11 6.054 12.957 -8.478
84 HA PHE 11 HA PHE 11 7.018 11.235 -10.731
85 HB2 PHE 11 HB2 PHE 11 8.385 13.363 -9.482
86 HB3 PHE 11 HB3 PHE 11 9.054 11.899 -8.742
87 HD1 PHE 11 HD2 PHE 11 7.838 12.348 -12.218
88 HD2 PHE 11 HD1 PHE 11 11.181 11.784 -9.695
89 HE1 PHE 11 HE2 PHE 11 9.294 12.012 -14.222
90 HE2 PHE 11 HE1 PHE 11 12.637 11.443 -11.699
91 HZ PHE 11 HZ PHE 11 11.675 11.561 -13.939
92 H THR 12 H THR 12 8.874 9.794 -9.397
93 HA THR 12 HA THR 12 7.519 7.731 -8.204
94 HB THR 12 HB THR 12 9.866 7.524 -8.835
95 HG1 THR 12 HG1 THR 12 10.513 6.582 -6.781
96 HG21 THR 12 HG21 THR 12 11.651 8.553 -7.464
97 HG22 THR 12 HG22 THR 12 10.439 9.308 -6.402
98 HG23 THR 12 HG23 THR 12 10.611 9.856 -8.086
99 H SER 13 H SER 13 8.285 10.815 -6.831
100 HA SER 13 HA SER 13 7.688 11.794 -4.836
101 HB2 SER 13 HB2 SER 13 5.802 9.434 -4.529
102 HB3 SER 13 HB3 SER 13 5.720 10.976 -3.653
103 HG SER 13 HG SER 13 5.506 11.933 -5.857
104 H CYS 14 H CYS 14 7.187 11.030 -2.364
105 HA CYS 14 HA CYS 14 8.214 8.870 -1.123
106 HB2 CYS 14 HB2 CYS 14 10.413 10.266 -2.487
107 HB3 CYS 14 HB3 CYS 14 10.707 9.973 -0.767
108 HG CYS 14 HG CYS 14 11.933 7.761 -1.797
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 3.157 1.585 3.594
2 H2 ALA 1 H2 ALA 1 3.896 0.113 3.506
3 H3 ALA 1 H3 ALA 1 3.783 0.894 4.954
4 HA ALA 1 HA ALA 1 5.186 2.628 4.225
5 HB1 ALA 1 HB1 ALA 1 7.270 1.298 4.068
6 HB2 ALA 1 HB2 ALA 1 6.182 0.677 5.333
7 HB3 ALA 1 HB3 ALA 1 6.304 -0.166 3.770
8 H GLY 2 H GLY 2 7.072 2.881 2.564
9 HA2 GLY 2 HA2 GLY 2 7.719 2.660 0.231
10 HA3 GLY 2 HA3 GLY 2 6.023 2.320 -0.176
11 H CYS 3 H CYS 3 5.642 3.911 -1.606
12 HA CYS 3 HA CYS 3 5.542 6.648 -0.478
13 HB2 CYS 3 HB3 CYS 3 6.543 6.297 -3.290
14 HB3 CYS 3 HB2 CYS 3 6.668 7.696 -2.214
15 HG CYS 3 HG CYS 3 8.747 4.987 -2.443
16 H LYS 4 H LYS 4 4.401 8.083 -2.228
17 HA LYS 4 HA LYS 4 2.244 6.485 -3.493
18 HB2 LYS 4 HB2 LYS 4 0.691 8.432 -2.672
19 HB3 LYS 4 HB3 LYS 4 1.074 7.069 -1.598
20 HG2 LYS 4 HG2 LYS 4 2.938 8.439 -0.620
21 HG3 LYS 4 HG3 LYS 4 2.402 9.810 -1.614
22 HD2 LYS 4 HD3 LYS 4 0.139 9.633 -0.519
23 HD3 LYS 4 HD2 LYS 4 0.810 8.387 0.556
24 HE2 LYS 4 HE2 LYS 4 2.459 10.825 0.440
25 HE3 LYS 4 HE3 LYS 4 0.814 11.119 1.049
26 HZ1 LYS 4 HZ1 LYS 4 2.319 10.516 2.807
27 HZ2 LYS 4 HZ2 LYS 4 1.158 9.357 2.634
28 HZ3 LYS 4 HZ3 LYS 4 2.683 9.086 2.068
29 H ASN 5 H ASN 5 3.614 6.872 -5.320
30 HA ASN 5 HA ASN 5 4.470 9.222 -6.431
31 HB2 ASN 5 HB2 ASN 5 4.134 8.282 -8.615
32 HB3 ASN 5 HB3 ASN 5 4.494 6.921 -7.530
33 HD21 ASN 5 HD21 ASN 5 2.653 5.785 -6.578
34 HD22 ASN 5 HD22 ASN 5 1.215 5.538 -7.544
35 H PHE 6 H PHE 6 3.579 10.741 -7.911
36 HA PHE 6 HA PHE 6 1.974 12.274 -8.623
37 HB2 PHE 6 HB2 PHE 6 0.887 9.851 -9.036
38 HB3 PHE 6 HB3 PHE 6 -0.234 10.417 -7.786
39 HD1 PHE 6 HD1 PHE 6 1.410 12.029 -10.728
40 HD2 PHE 6 HD2 PHE 6 -2.201 11.142 -8.720
41 HE1 PHE 6 HE1 PHE 6 0.133 13.300 -12.462
42 HE2 PHE 6 HE2 PHE 6 -3.478 12.412 -10.452
43 HZ PHE 6 HZ PHE 6 -2.296 13.476 -12.303
44 H PHE 7 H PHE 7 2.961 12.514 -6.044
45 HA PHE 7 HA PHE 7 0.731 13.948 -4.754
46 HB2 PHE 7 HB2 PHE 7 0.999 11.368 -4.067
47 HB3 PHE 7 HB3 PHE 7 2.272 12.032 -3.029
48 HD1 PHE 7 HD1 PHE 7 0.893 14.686 -2.461
49 HD2 PHE 7 HD2 PHE 7 -0.515 10.701 -2.382
50 HE1 PHE 7 HE1 PHE 7 -0.832 15.327 -0.770
51 HE2 PHE 7 HE2 PHE 7 -2.241 11.344 -0.693
52 HZ PHE 7 HZ PHE 7 -2.380 13.650 0.093
53 H TRP 8 H TRP 8 3.066 14.862 -6.001
54 HA TRP 8 HA TRP 8 4.128 16.562 -4.000
55 HB2 TRP 8 HB2 TRP 8 5.217 14.359 -3.341
56 HB3 TRP 8 HB3 TRP 8 6.139 14.467 -4.849
57 HD1 TRP 8 HD1 TRP 8 5.768 16.329 -1.472
58 HE1 TRP 8 HE1 TRP 8 7.905 17.708 -0.996
59 HE3 TRP 8 HE3 TRP 8 8.056 15.502 -5.917
60 HZ2 TRP 8 HZ2 TRP 8 10.286 18.344 -2.404
61 HZ3 TRP 8 HZ3 TRP 8 10.285 16.537 -6.285
62 HH2 TRP 8 HH2 TRP 8 11.399 17.915 -4.616
63 H LYS 9 H LYS 9 5.828 14.873 -6.627
64 HA LYS 9 HA LYS 9 5.351 17.169 -8.405
65 HB2 LYS 9 HB3 LYS 9 7.436 17.614 -6.986
66 HB3 LYS 9 HB2 LYS 9 8.199 16.298 -7.906
67 HG2 LYS 9 HG2 LYS 9 8.610 17.699 -9.608
68 HG3 LYS 9 HG3 LYS 9 6.873 18.042 -9.764
69 HD2 LYS 9 HD2 LYS 9 7.636 20.169 -9.311
70 HD3 LYS 9 HD3 LYS 9 7.364 19.603 -7.648
71 HE2 LYS 9 HE2 LYS 9 9.541 19.910 -7.174
72 HE3 LYS 9 HE3 LYS 9 9.996 18.778 -8.468
73 HZ1 LYS 9 HZ1 LYS 9 10.941 20.947 -8.811
74 HZ2 LYS 9 HZ2 LYS 9 9.870 20.600 -10.016
75 HZ3 LYS 9 HZ3 LYS 9 9.449 21.649 -8.814
76 H THR 10 H THR 10 4.206 14.755 -8.563
77 HA THR 10 HA THR 10 3.734 13.274 -10.286
78 HB THR 10 HB THR 10 6.376 13.951 -11.635
79 HG1 THR 10 HG1 THR 10 5.454 15.928 -11.094
80 HG21 THR 10 HG21 THR 10 4.969 13.761 -13.661
81 HG22 THR 10 HG22 THR 10 4.751 12.282 -12.695
82 HG23 THR 10 HG23 THR 10 3.510 13.557 -12.663
83 H PHE 11 H PHE 11 7.172 13.362 -9.369
84 HA PHE 11 HA PHE 11 7.828 10.659 -9.689
85 HB2 PHE 11 HB2 PHE 11 9.036 12.895 -8.754
86 HB3 PHE 11 HB3 PHE 11 8.736 12.075 -7.213
87 HD1 PHE 11 HD2 PHE 11 9.985 11.174 -10.618
88 HD2 PHE 11 HD1 PHE 11 10.473 10.796 -6.437
89 HE1 PHE 11 HE2 PHE 11 12.020 9.768 -10.983
90 HE2 PHE 11 HE1 PHE 11 12.508 9.390 -6.802
91 HZ PHE 11 HZ PHE 11 13.255 8.890 -9.071
92 H THR 12 H THR 12 8.544 9.460 -7.461
93 HA THR 12 HA THR 12 6.238 8.176 -6.527
94 HB THR 12 HB THR 12 7.914 7.486 -4.592
95 HG1 THR 12 HG1 THR 12 9.954 8.318 -4.996
96 HG21 THR 12 HG21 THR 12 9.248 6.112 -6.157
97 HG22 THR 12 HG22 THR 12 8.792 7.166 -7.517
98 HG23 THR 12 HG23 THR 12 7.566 6.136 -6.739
99 H SER 13 H SER 13 7.523 11.230 -5.699
100 HA SER 13 HA SER 13 6.915 12.814 -4.141
101 HB2 SER 13 HB3 SER 13 4.424 12.499 -3.310
102 HB3 SER 13 HB2 SER 13 4.781 13.000 -4.975
103 HG SER 13 HG SER 13 3.983 10.449 -4.028
104 H CYS 14 H CYS 14 8.101 10.215 -3.320
105 HA CYS 14 HA CYS 14 7.081 9.214 -0.931
106 HB2 CYS 14 HB2 CYS 14 9.424 8.890 -2.337
107 HB3 CYS 14 HB3 CYS 14 9.990 9.637 -0.835
108 HG CYS 14 HG CYS 14 9.519 7.551 0.807
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 9.910 5.013 2.847
2 H2 ALA 1 H2 ALA 1 9.370 5.187 4.395
3 H3 ALA 1 H3 ALA 1 10.711 4.276 4.086
4 HA ALA 1 HA ALA 1 9.462 2.688 2.895
5 HB1 ALA 1 HB1 ALA 1 8.178 1.795 4.817
6 HB2 ALA 1 HB2 ALA 1 9.785 2.381 5.309
7 HB3 ALA 1 HB3 ALA 1 8.339 3.363 5.643
8 H GLY 2 H GLY 2 7.814 2.296 1.617
9 HA2 GLY 2 HA2 GLY 2 5.840 2.610 0.457
10 HA3 GLY 2 HA3 GLY 2 5.157 3.237 1.973
11 H CYS 3 H CYS 3 4.797 4.081 -0.836
12 HA CYS 3 HA CYS 3 5.165 6.950 -0.355
13 HB2 CYS 3 HB2 CYS 3 6.157 5.958 -3.002
14 HB3 CYS 3 HB3 CYS 3 6.487 7.489 -2.178
15 HG CYS 3 HG CYS 3 8.134 4.503 -1.915
16 H LYS 4 H LYS 4 4.153 8.189 -2.219
17 HA LYS 4 HA LYS 4 2.023 6.642 -3.550
18 HB2 LYS 4 HB2 LYS 4 1.155 7.367 -1.306
19 HB3 LYS 4 HB3 LYS 4 1.341 9.051 -1.843
20 HG2 LYS 4 HG2 LYS 4 -0.373 8.887 -3.401
21 HG3 LYS 4 HG3 LYS 4 -0.169 7.134 -3.603
22 HD2 LYS 4 HD2 LYS 4 -1.080 8.215 -0.942
23 HD3 LYS 4 HD3 LYS 4 -2.247 8.102 -2.277
24 HE2 LYS 4 HE3 LYS 4 -0.538 5.699 -1.768
25 HE3 LYS 4 HE2 LYS 4 -1.788 6.068 -0.559
26 HZ1 LYS 4 HZ1 LYS 4 -2.618 4.644 -2.291
27 HZ2 LYS 4 HZ2 LYS 4 -2.241 5.755 -3.450
28 HZ3 LYS 4 HZ3 LYS 4 -3.400 6.096 -2.327
29 H ASN 5 H ASN 5 3.323 7.067 -5.351
30 HA ASN 5 HA ASN 5 4.329 9.414 -6.339
31 HB2 ASN 5 HB3 ASN 5 3.939 8.609 -8.570
32 HB3 ASN 5 HB2 ASN 5 4.211 7.177 -7.553
33 HD21 ASN 5 HD21 ASN 5 2.903 5.574 -7.854
34 HD22 ASN 5 HD22 ASN 5 1.245 5.647 -8.407
35 H PHE 6 H PHE 6 3.526 11.038 -7.779
36 HA PHE 6 HA PHE 6 2.027 12.710 -8.394
37 HB2 PHE 6 HB2 PHE 6 0.791 10.373 -8.917
38 HB3 PHE 6 HB3 PHE 6 -0.305 10.970 -7.660
39 HD1 PHE 6 HD1 PHE 6 0.460 13.949 -8.665
40 HD2 PHE 6 HD2 PHE 6 -1.174 10.482 -10.444
41 HE1 PHE 6 HE1 PHE 6 -0.701 15.369 -10.364
42 HE2 PHE 6 HE2 PHE 6 -2.335 11.901 -12.144
43 HZ PHE 6 HZ PHE 6 -2.085 14.328 -12.083
44 H PHE 7 H PHE 7 3.017 12.774 -5.814
45 HA PHE 7 HA PHE 7 0.870 14.268 -4.454
46 HB2 PHE 7 HB3 PHE 7 0.619 11.851 -3.781
47 HB3 PHE 7 HB2 PHE 7 2.276 11.901 -3.155
48 HD1 PHE 7 HD2 PHE 7 -0.827 13.955 -2.833
49 HD2 PHE 7 HD1 PHE 7 2.455 12.133 -0.891
50 HE1 PHE 7 HE2 PHE 7 -1.672 14.783 -0.631
51 HE2 PHE 7 HE1 PHE 7 1.610 12.961 1.312
52 HZ PHE 7 HZ PHE 7 -0.445 14.273 1.416
53 H TRP 8 H TRP 8 3.260 15.101 -5.652
54 HA TRP 8 HA TRP 8 4.415 16.636 -3.571
55 HB2 TRP 8 HB2 TRP 8 5.368 14.341 -3.019
56 HB3 TRP 8 HB3 TRP 8 6.301 14.469 -4.520
57 HD1 TRP 8 HD1 TRP 8 6.025 16.186 -1.056
58 HE1 TRP 8 HE1 TRP 8 8.239 17.409 -0.511
59 HE3 TRP 8 HE3 TRP 8 8.282 15.435 -5.532
60 HZ2 TRP 8 HZ2 TRP 8 10.662 17.967 -1.882
61 HZ3 TRP 8 HZ3 TRP 8 10.569 16.352 -5.846
62 HH2 TRP 8 HH2 TRP 8 11.756 17.580 -4.110
63 H LYS 9 H LYS 9 6.020 14.978 -6.275
64 HA LYS 9 HA LYS 9 5.687 17.382 -7.939
65 HB2 LYS 9 HB2 LYS 9 7.870 17.400 -6.418
66 HB3 LYS 9 HB3 LYS 9 8.493 16.380 -7.733
67 HG2 LYS 9 HG2 LYS 9 7.141 18.474 -9.032
68 HG3 LYS 9 HG3 LYS 9 7.995 19.258 -7.685
69 HD2 LYS 9 HD2 LYS 9 10.054 18.835 -8.573
70 HD3 LYS 9 HD3 LYS 9 9.575 17.239 -9.192
71 HE2 LYS 9 HE3 LYS 9 8.268 19.547 -10.529
72 HE3 LYS 9 HE2 LYS 9 10.027 19.439 -10.764
73 HZ1 LYS 9 HZ1 LYS 9 8.830 18.208 -12.428
74 HZ2 LYS 9 HZ2 LYS 9 9.727 17.183 -11.499
75 HZ3 LYS 9 HZ3 LYS 9 8.095 17.280 -11.280
76 H THR 10 H THR 10 4.401 15.051 -8.215
77 HA THR 10 HA THR 10 3.848 13.687 -10.010
78 HB THR 10 HB THR 10 6.531 14.269 -11.323
79 HG1 THR 10 HG1 THR 10 5.726 16.269 -10.687
80 HG21 THR 10 HG21 THR 10 5.122 14.261 -13.357
81 HG22 THR 10 HG22 THR 10 3.649 14.098 -12.371
82 HG23 THR 10 HG23 THR 10 4.812 12.753 -12.464
83 H PHE 11 H PHE 11 7.282 13.524 -9.086
84 HA PHE 11 HA PHE 11 7.776 10.806 -9.539
85 HB2 PHE 11 HB3 PHE 11 9.112 12.923 -8.482
86 HB3 PHE 11 HB2 PHE 11 8.756 12.029 -6.995
87 HD1 PHE 11 HD2 PHE 11 9.735 10.933 -10.424
88 HD2 PHE 11 HD1 PHE 11 10.643 10.929 -6.296
89 HE1 PHE 11 HE2 PHE 11 11.680 9.423 -10.854
90 HE2 PHE 11 HE1 PHE 11 12.590 9.420 -6.726
91 HZ PHE 11 HZ PHE 11 13.086 8.687 -9.001
92 H THR 12 H THR 12 8.411 9.461 -7.369
93 HA THR 12 HA THR 12 6.029 8.270 -6.502
94 HB THR 12 HB THR 12 7.966 6.946 -6.248
95 HG1 THR 12 HG1 THR 12 8.071 6.788 -3.904
96 HG21 THR 12 HG21 THR 12 9.681 8.085 -4.397
97 HG22 THR 12 HG22 THR 12 9.944 8.176 -6.155
98 HG23 THR 12 HG23 THR 12 9.163 9.528 -5.301
99 H SER 13 H SER 13 7.491 11.199 -5.525
100 HA SER 13 HA SER 13 6.974 12.739 -3.893
101 HB2 SER 13 HB2 SER 13 4.468 12.525 -3.075
102 HB3 SER 13 HB3 SER 13 4.854 13.099 -4.710
103 HG SER 13 HG SER 13 3.904 10.551 -3.897
104 H CYS 14 H CYS 14 8.001 10.038 -3.198
105 HA CYS 14 HA CYS 14 6.893 9.025 -0.834
106 HB2 CYS 14 HB2 CYS 14 9.069 8.396 -2.293
107 HB3 CYS 14 HB3 CYS 14 9.860 9.194 -0.926
108 HG CYS 14 HG CYS 14 9.327 7.315 0.951
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 6.963 7.839 4.475
2 H2 ALA 1 H2 ALA 1 6.376 9.066 5.406
3 H3 ALA 1 H3 ALA 1 6.111 9.067 3.778
4 HA ALA 1 HA ALA 1 5.063 7.146 5.706
5 HB1 ALA 1 HB1 ALA 1 2.879 8.168 5.139
6 HB2 ALA 1 HB2 ALA 1 3.711 9.351 4.102
7 HB3 ALA 1 HB3 ALA 1 3.996 9.351 5.859
8 H GLY 2 H GLY 2 6.616 6.079 3.877
9 HA2 GLY 2 HA3 GLY 2 6.538 4.372 2.300
10 HA3 GLY 2 HA2 GLY 2 4.767 4.515 2.291
11 H CYS 3 H CYS 3 6.358 4.059 0.012
12 HA CYS 3 HA CYS 3 6.586 6.617 -1.403
13 HB2 CYS 3 HB2 CYS 3 7.883 4.224 -1.668
14 HB3 CYS 3 HB3 CYS 3 6.707 4.130 -2.987
15 HG CYS 3 HG CYS 3 7.810 5.988 -4.590
16 H LYS 4 H LYS 4 5.168 7.481 -2.748
17 HA LYS 4 HA LYS 4 3.047 5.966 -3.972
18 HB2 LYS 4 HB3 LYS 4 2.549 6.891 -1.323
19 HB3 LYS 4 HB2 LYS 4 1.565 7.866 -2.436
20 HG2 LYS 4 HG2 LYS 4 1.684 4.825 -2.456
21 HG3 LYS 4 HG3 LYS 4 0.416 5.777 -1.652
22 HD2 LYS 4 HD2 LYS 4 0.445 6.880 -4.182
23 HD3 LYS 4 HD3 LYS 4 0.809 5.174 -4.521
24 HE2 LYS 4 HE3 LYS 4 -1.233 4.429 -3.654
25 HE3 LYS 4 HE2 LYS 4 -1.444 5.873 -2.638
26 HZ1 LYS 4 HZ1 LYS 4 -2.903 5.898 -4.531
27 HZ2 LYS 4 HZ2 LYS 4 -1.824 7.142 -4.629
28 HZ3 LYS 4 HZ3 LYS 4 -1.628 5.804 -5.574
29 H ASN 5 H ASN 5 3.723 6.818 -5.836
30 HA ASN 5 HA ASN 5 4.536 9.386 -6.454
31 HB2 ASN 5 HB2 ASN 5 3.851 8.999 -8.706
32 HB3 ASN 5 HB3 ASN 5 4.257 7.397 -8.054
33 HD21 ASN 5 HD21 ASN 5 1.932 7.198 -6.380
34 HD22 ASN 5 HD22 ASN 5 0.554 6.880 -7.410
35 H PHE 6 H PHE 6 3.308 11.077 -7.664
36 HA PHE 6 HA PHE 6 1.689 12.746 -7.642
37 HB2 PHE 6 HB2 PHE 6 0.215 10.149 -7.348
38 HB3 PHE 6 HB3 PHE 6 -0.700 11.643 -7.084
39 HD1 PHE 6 HD2 PHE 6 0.086 13.480 -9.034
40 HD2 PHE 6 HD1 PHE 6 -0.132 9.277 -9.432
41 HE1 PHE 6 HE2 PHE 6 -0.200 13.728 -11.505
42 HE2 PHE 6 HE1 PHE 6 -0.420 9.526 -11.903
43 HZ PHE 6 HZ PHE 6 -0.450 11.749 -12.910
44 H PHE 7 H PHE 7 3.170 12.450 -5.299
45 HA PHE 7 HA PHE 7 1.280 13.606 -3.349
46 HB2 PHE 7 HB2 PHE 7 1.662 10.920 -3.265
47 HB3 PHE 7 HB3 PHE 7 3.054 11.439 -2.299
48 HD1 PHE 7 HD2 PHE 7 -0.470 12.651 -2.538
49 HD2 PHE 7 HD1 PHE 7 2.596 11.108 -0.072
50 HE1 PHE 7 HE2 PHE 7 -1.954 12.893 -0.541
51 HE2 PHE 7 HE1 PHE 7 1.110 11.349 1.925
52 HZ PHE 7 HZ PHE 7 -1.147 12.238 1.666
53 H TRP 8 H TRP 8 3.358 14.761 -4.825
54 HA TRP 8 HA TRP 8 4.845 16.038 -2.782
55 HB2 TRP 8 HB3 TRP 8 5.962 13.729 -2.821
56 HB3 TRP 8 HB2 TRP 8 6.601 14.196 -4.406
57 HD1 TRP 8 HD1 TRP 8 6.883 15.276 -0.694
58 HE1 TRP 8 HE1 TRP 8 9.109 16.543 -0.327
59 HE3 TRP 8 HE3 TRP 8 8.327 15.431 -5.549
60 HZ2 TRP 8 HZ2 TRP 8 11.223 17.484 -1.971
61 HZ3 TRP 8 HZ3 TRP 8 10.485 16.543 -6.082
62 HH2 TRP 8 HH2 TRP 8 11.913 17.549 -4.386
63 H LYS 9 H LYS 9 5.946 14.905 -5.968
64 HA LYS 9 HA LYS 9 5.195 17.485 -7.156
65 HB2 LYS 9 HB2 LYS 9 7.458 17.810 -6.107
66 HB3 LYS 9 HB3 LYS 9 8.090 16.595 -7.240
67 HG2 LYS 9 HG2 LYS 9 6.911 18.116 -9.055
68 HG3 LYS 9 HG3 LYS 9 7.031 19.364 -7.795
69 HD2 LYS 9 HD3 LYS 9 9.489 17.748 -8.334
70 HD3 LYS 9 HD2 LYS 9 8.993 18.899 -9.593
71 HE2 LYS 9 HE2 LYS 9 8.719 20.334 -7.200
72 HE3 LYS 9 HE3 LYS 9 10.221 19.407 -6.986
73 HZ1 LYS 9 HZ1 LYS 9 10.618 21.510 -8.054
74 HZ2 LYS 9 HZ2 LYS 9 9.582 21.135 -9.282
75 HZ3 LYS 9 HZ3 LYS 9 10.976 20.275 -9.087
76 H THR 10 H THR 10 4.013 15.128 -7.568
77 HA THR 10 HA THR 10 3.231 13.978 -9.426
78 HB THR 10 HB THR 10 5.590 14.971 -11.073
79 HG1 THR 10 HG1 THR 10 4.790 16.783 -10.010
80 HG21 THR 10 HG21 THR 10 3.838 15.122 -12.813
81 HG22 THR 10 HG22 THR 10 2.582 14.694 -11.627
82 HG23 THR 10 HG23 THR 10 3.790 13.483 -12.121
83 H PHE 11 H PHE 11 6.783 13.987 -9.166
84 HA PHE 11 HA PHE 11 7.346 11.412 -10.098
85 HB2 PHE 11 HB2 PHE 11 8.724 13.466 -8.992
86 HB3 PHE 11 HB3 PHE 11 8.709 12.362 -7.607
87 HD1 PHE 11 HD2 PHE 11 9.538 12.473 -11.233
88 HD2 PHE 11 HD1 PHE 11 10.308 10.689 -7.480
89 HE1 PHE 11 HE2 PHE 11 11.459 11.218 -12.225
90 HE2 PHE 11 HE1 PHE 11 12.229 9.433 -8.472
91 HZ PHE 11 HZ PHE 11 12.781 9.712 -10.833
92 H THR 12 H THR 12 8.433 9.814 -8.337
93 HA THR 12 HA THR 12 6.347 8.311 -7.256
94 HB THR 12 HB THR 12 9.141 8.294 -6.050
95 HG1 THR 12 HG1 THR 12 9.442 8.522 -8.266
96 HG21 THR 12 HG21 THR 12 7.568 5.979 -7.236
97 HG22 THR 12 HG22 THR 12 8.795 5.945 -5.948
98 HG23 THR 12 HG23 THR 12 7.156 6.544 -5.600
99 H SER 13 H SER 13 7.783 11.191 -6.082
100 HA SER 13 HA SER 13 7.453 12.435 -4.172
101 HB2 SER 13 HB3 SER 13 5.124 11.899 -3.025
102 HB3 SER 13 HB2 SER 13 5.217 12.744 -4.583
103 HG SER 13 HG SER 13 3.749 11.129 -4.881
104 H CYS 14 H CYS 14 8.721 9.745 -4.071
105 HA CYS 14 HA CYS 14 8.072 8.318 -1.753
106 HB2 CYS 14 HB2 CYS 14 10.204 8.350 -3.589
107 HB3 CYS 14 HB3 CYS 14 10.948 8.555 -1.996
108 HG CYS 14 HG CYS 14 10.877 5.995 -1.382
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 6.185 0.731 4.177
2 H2 ALA 1 H2 ALA 1 6.633 1.001 2.614
3 H3 ALA 1 H3 ALA 1 7.616 0.134 3.615
4 HA ALA 1 HA ALA 1 8.015 1.999 4.979
5 HB1 ALA 1 HB1 ALA 1 9.323 3.314 3.337
6 HB2 ALA 1 HB2 ALA 1 8.462 2.499 2.010
7 HB3 ALA 1 HB3 ALA 1 9.522 1.562 3.091
8 H GLY 2 H GLY 2 5.851 2.568 2.242
9 HA2 GLY 2 HA2 GLY 2 3.792 3.859 2.775
10 HA3 GLY 2 HA3 GLY 2 4.823 4.982 3.688
11 H CYS 3 H CYS 3 4.381 6.802 2.552
12 HA CYS 3 HA CYS 3 4.619 8.355 0.877
13 HB2 CYS 3 HB3 CYS 3 6.674 6.336 -0.020
14 HB3 CYS 3 HB2 CYS 3 6.309 7.778 -0.979
15 HG CYS 3 HG CYS 3 7.080 8.335 2.316
16 H LYS 4 H LYS 4 4.346 8.628 -1.562
17 HA LYS 4 HA LYS 4 3.137 6.557 -3.086
18 HB2 LYS 4 HB3 LYS 4 1.427 7.418 -1.086
19 HB3 LYS 4 HB2 LYS 4 0.898 8.349 -2.504
20 HG2 LYS 4 HG2 LYS 4 0.765 6.242 -3.817
21 HG3 LYS 4 HG3 LYS 4 1.238 5.325 -2.370
22 HD2 LYS 4 HD2 LYS 4 -0.818 5.545 -1.394
23 HD3 LYS 4 HD3 LYS 4 -1.064 7.185 -2.033
24 HE2 LYS 4 HE3 LYS 4 -1.999 6.426 -4.002
25 HE3 LYS 4 HE2 LYS 4 -1.049 4.923 -3.999
26 HZ1 LYS 4 HZ1 LYS 4 -3.359 4.515 -3.538
27 HZ2 LYS 4 HZ2 LYS 4 -2.441 4.121 -2.226
28 HZ3 LYS 4 HZ3 LYS 4 -3.322 5.514 -2.226
29 H ASN 5 H ASN 5 3.011 7.111 -5.150
30 HA ASN 5 HA ASN 5 4.318 9.460 -6.051
31 HB2 ASN 5 HB2 ASN 5 3.532 8.873 -8.272
32 HB3 ASN 5 HB3 ASN 5 3.963 7.374 -7.420
33 HD21 ASN 5 HD21 ASN 5 2.353 7.351 -9.630
34 HD22 ASN 5 HD22 ASN 5 0.718 6.909 -9.194
35 H PHE 6 H PHE 6 3.450 11.226 -7.278
36 HA PHE 6 HA PHE 6 1.943 12.963 -7.679
37 HB2 PHE 6 HB2 PHE 6 0.448 10.712 -7.851
38 HB3 PHE 6 HB3 PHE 6 -0.319 11.448 -6.434
39 HD1 PHE 6 HD1 PHE 6 0.391 14.329 -7.613
40 HD2 PHE 6 HD2 PHE 6 -1.673 10.940 -9.066
41 HE1 PHE 6 HE1 PHE 6 -0.959 15.797 -9.120
42 HE2 PHE 6 HE2 PHE 6 -3.023 12.409 -10.573
43 HZ PHE 6 HZ PHE 6 -2.651 14.820 -10.580
44 H PHE 7 H PHE 7 3.453 12.865 -5.319
45 HA PHE 7 HA PHE 7 1.776 14.570 -3.584
46 HB2 PHE 7 HB2 PHE 7 2.862 11.845 -2.882
47 HB3 PHE 7 HB3 PHE 7 2.768 13.087 -1.622
48 HD1 PHE 7 HD2 PHE 7 0.385 14.327 -1.600
49 HD2 PHE 7 HD1 PHE 7 1.080 10.421 -3.055
50 HE1 PHE 7 HE2 PHE 7 -2.023 13.764 -1.236
51 HE2 PHE 7 HE1 PHE 7 -1.329 9.858 -2.693
52 HZ PHE 7 HZ PHE 7 -2.851 11.537 -1.790
53 H TRP 8 H TRP 8 3.925 15.202 -5.254
54 HA TRP 8 HA TRP 8 5.628 16.589 -3.453
55 HB2 TRP 8 HB2 TRP 8 6.439 14.132 -3.253
56 HB3 TRP 8 HB3 TRP 8 7.151 14.398 -4.853
57 HD1 TRP 8 HD1 TRP 8 7.416 15.843 -1.251
58 HE1 TRP 8 HE1 TRP 8 9.770 16.858 -0.899
59 HE3 TRP 8 HE3 TRP 8 9.092 15.214 -5.993
60 HZ2 TRP 8 HZ2 TRP 8 12.063 17.318 -2.509
61 HZ3 TRP 8 HZ3 TRP 8 11.400 15.974 -6.517
62 HH2 TRP 8 HH2 TRP 8 12.867 16.994 -4.865
63 H LYS 9 H LYS 9 6.400 14.887 -6.482
64 HA LYS 9 HA LYS 9 5.862 17.304 -8.034
65 HB2 LYS 9 HB2 LYS 9 8.227 17.481 -6.980
66 HB3 LYS 9 HB3 LYS 9 8.683 16.260 -8.187
67 HG2 LYS 9 HG2 LYS 9 7.268 18.038 -9.728
68 HG3 LYS 9 HG3 LYS 9 8.010 19.127 -8.536
69 HD2 LYS 9 HD2 LYS 9 10.231 18.022 -9.041
70 HD3 LYS 9 HD3 LYS 9 9.428 17.152 -10.367
71 HE2 LYS 9 HE3 LYS 9 10.572 19.181 -11.193
72 HE3 LYS 9 HE2 LYS 9 8.812 19.304 -11.412
73 HZ1 LYS 9 HZ1 LYS 9 9.737 21.313 -10.505
74 HZ2 LYS 9 HZ2 LYS 9 10.350 20.500 -9.207
75 HZ3 LYS 9 HZ3 LYS 9 8.717 20.613 -9.413
76 H THR 10 H THR 10 4.476 15.087 -8.151
77 HA THR 10 HA THR 10 3.620 13.721 -9.815
78 HB THR 10 HB THR 10 6.097 14.201 -11.516
79 HG1 THR 10 HG1 THR 10 5.454 16.231 -10.796
80 HG21 THR 10 HG21 THR 10 4.405 14.222 -13.321
81 HG22 THR 10 HG22 THR 10 3.089 14.111 -12.128
82 HG23 THR 10 HG23 THR 10 4.185 12.731 -12.375
83 H PHE 11 H PHE 11 7.153 13.416 -9.482
84 HA PHE 11 HA PHE 11 7.463 10.683 -9.955
85 HB2 PHE 11 HB3 PHE 11 9.025 12.752 -9.130
86 HB3 PHE 11 HB2 PHE 11 8.873 11.865 -7.604
87 HD1 PHE 11 HD1 PHE 11 9.552 11.103 -11.196
88 HD2 PHE 11 HD2 PHE 11 10.511 10.336 -7.152
89 HE1 PHE 11 HE1 PHE 11 11.350 9.526 -11.922
90 HE2 PHE 11 HE2 PHE 11 12.310 8.759 -7.878
91 HZ PHE 11 HZ PHE 11 12.706 8.371 -10.254
92 H THR 12 H THR 12 8.293 9.229 -7.999
93 HA THR 12 HA THR 12 6.067 8.157 -6.744
94 HB THR 12 HB THR 12 8.079 6.852 -6.842
95 HG1 THR 12 HG1 THR 12 6.796 6.720 -4.875
96 HG21 THR 12 HG21 THR 12 9.779 7.976 -4.867
97 HG22 THR 12 HG22 THR 12 10.106 7.931 -6.616
98 HG23 THR 12 HG23 THR 12 9.324 9.357 -5.894
99 H SER 13 H SER 13 7.829 11.000 -5.938
100 HA SER 13 HA SER 13 7.568 12.567 -4.274
101 HB2 SER 13 HB2 SER 13 5.137 12.281 -3.104
102 HB3 SER 13 HB3 SER 13 5.401 13.111 -4.651
103 HG SER 13 HG SER 13 5.107 10.764 -5.475
104 H CYS 14 H CYS 14 6.483 12.672 -1.846
105 HA CYS 14 HA CYS 14 6.561 10.451 -0.173
106 HB2 CYS 14 HB2 CYS 14 9.237 11.250 -1.049
107 HB3 CYS 14 HB3 CYS 14 9.059 11.254 0.711
108 HG CYS 14 HG CYS 14 9.915 8.701 -0.997
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 7.811 6.072 5.692
2 H2 ALA 1 H2 ALA 1 8.067 5.037 6.951
3 H3 ALA 1 H3 ALA 1 6.951 6.244 7.089
4 HA ALA 1 HA ALA 1 6.823 3.960 5.279
5 HB1 ALA 1 HB1 ALA 1 4.914 3.275 6.702
6 HB2 ALA 1 HB2 ALA 1 6.432 3.358 7.626
7 HB3 ALA 1 HB3 ALA 1 5.228 4.660 7.776
8 H GLY 2 H GLY 2 5.434 4.095 3.663
9 HA2 GLY 2 HA3 GLY 2 3.149 5.064 3.031
10 HA3 GLY 2 HA2 GLY 2 3.875 6.635 3.436
11 H CYS 3 H CYS 3 4.285 7.732 1.677
12 HA CYS 3 HA CYS 3 5.298 8.288 -0.324
13 HB2 CYS 3 HB2 CYS 3 7.010 6.449 0.506
14 HB3 CYS 3 HB3 CYS 3 6.294 5.506 -0.810
15 HG CYS 3 HG CYS 3 7.126 7.180 -2.882
16 H LYS 4 H LYS 4 4.533 8.380 -2.360
17 HA LYS 4 HA LYS 4 3.264 6.313 -3.770
18 HB2 LYS 4 HB3 LYS 4 1.550 7.578 -1.737
19 HB3 LYS 4 HB2 LYS 4 0.848 7.535 -3.369
20 HG2 LYS 4 HG2 LYS 4 2.147 5.007 -2.707
21 HG3 LYS 4 HG3 LYS 4 0.910 5.431 -1.504
22 HD2 LYS 4 HD2 LYS 4 -0.766 4.990 -2.944
23 HD3 LYS 4 HD3 LYS 4 -0.008 5.951 -4.232
24 HE2 LYS 4 HE2 LYS 4 0.841 3.122 -3.491
25 HE3 LYS 4 HE3 LYS 4 -0.302 3.507 -4.798
26 HZ1 LYS 4 HZ1 LYS 4 1.932 3.263 -5.614
27 HZ2 LYS 4 HZ2 LYS 4 1.419 4.816 -5.827
28 HZ3 LYS 4 HZ3 LYS 4 2.478 4.457 -4.615
29 H ASN 5 H ASN 5 3.680 6.940 -5.712
30 HA ASN 5 HA ASN 5 4.492 9.389 -6.629
31 HB2 ASN 5 HB3 ASN 5 3.767 8.767 -8.846
32 HB3 ASN 5 HB2 ASN 5 4.264 7.278 -8.014
33 HD21 ASN 5 HD21 ASN 5 2.329 7.993 -10.246
34 HD22 ASN 5 HD22 ASN 5 0.835 7.188 -9.821
35 H PHE 6 H PHE 6 3.458 11.097 -7.806
36 HA PHE 6 HA PHE 6 1.851 12.762 -8.068
37 HB2 PHE 6 HB2 PHE 6 0.563 10.305 -8.348
38 HB3 PHE 6 HB3 PHE 6 -0.425 11.142 -7.139
39 HD1 PHE 6 HD1 PHE 6 0.063 13.953 -8.225
40 HD2 PHE 6 HD2 PHE 6 -1.001 10.331 -10.124
41 HE1 PHE 6 HE1 PHE 6 -1.064 15.240 -10.049
42 HE2 PHE 6 HE2 PHE 6 -2.127 11.618 -11.948
43 HZ PHE 6 HZ PHE 6 -2.145 14.057 -11.888
44 H PHE 7 H PHE 7 3.221 12.565 -5.626
45 HA PHE 7 HA PHE 7 1.316 13.975 -3.872
46 HB2 PHE 7 HB2 PHE 7 1.405 11.317 -3.559
47 HB3 PHE 7 HB3 PHE 7 2.870 11.711 -2.644
48 HD1 PHE 7 HD2 PHE 7 -0.743 12.554 -2.887
49 HD2 PHE 7 HD1 PHE 7 2.685 12.364 -0.421
50 HE1 PHE 7 HE2 PHE 7 -2.147 13.101 -0.892
51 HE2 PHE 7 HE1 PHE 7 1.281 12.908 1.573
52 HZ PHE 7 HZ PHE 7 -1.118 13.269 1.315
53 H TRP 8 H TRP 8 3.589 14.814 -5.319
54 HA TRP 8 HA TRP 8 5.060 16.112 -3.244
55 HB2 TRP 8 HB3 TRP 8 6.025 13.743 -3.168
56 HB3 TRP 8 HB2 TRP 8 6.724 14.096 -4.757
57 HD1 TRP 8 HD1 TRP 8 7.007 15.325 -1.090
58 HE1 TRP 8 HE1 TRP 8 9.310 16.447 -0.731
59 HE3 TRP 8 HE3 TRP 8 8.560 15.147 -5.912
60 HZ2 TRP 8 HZ2 TRP 8 11.520 17.157 -2.365
61 HZ3 TRP 8 HZ3 TRP 8 10.801 16.075 -6.443
62 HH2 TRP 8 HH2 TRP 8 12.264 17.056 -4.762
63 H LYS 9 H LYS 9 6.152 14.808 -6.367
64 HA LYS 9 HA LYS 9 5.639 17.415 -7.630
65 HB2 LYS 9 HB3 LYS 9 7.986 17.357 -6.509
66 HB3 LYS 9 HB2 LYS 9 8.424 16.304 -7.872
67 HG2 LYS 9 HG2 LYS 9 7.980 17.988 -9.472
68 HG3 LYS 9 HG3 LYS 9 7.041 18.962 -8.320
69 HD2 LYS 9 HD3 LYS 9 9.511 18.784 -7.078
70 HD3 LYS 9 HD2 LYS 9 9.952 18.873 -8.797
71 HE2 LYS 9 HE2 LYS 9 8.169 20.830 -7.291
72 HE3 LYS 9 HE3 LYS 9 9.832 21.130 -7.842
73 HZ1 LYS 9 HZ1 LYS 9 8.646 22.002 -9.536
74 HZ2 LYS 9 HZ2 LYS 9 7.382 20.954 -9.388
75 HZ3 LYS 9 HZ3 LYS 9 8.783 20.460 -10.104
76 H THR 10 H THR 10 4.310 15.059 -7.937
77 HA THR 10 HA THR 10 3.425 13.940 -9.771
78 HB THR 10 HB THR 10 4.948 15.917 -11.003
79 HG1 THR 10 HG1 THR 10 2.836 15.007 -11.490
80 HG21 THR 10 HG21 THR 10 5.855 14.577 -13.002
81 HG22 THR 10 HG22 THR 10 5.748 13.121 -11.985
82 HG23 THR 10 HG23 THR 10 6.850 14.444 -11.532
83 H PHE 11 H PHE 11 6.966 13.750 -9.491
84 HA PHE 11 HA PHE 11 7.379 11.134 -10.406
85 HB2 PHE 11 HB3 PHE 11 8.878 13.126 -9.319
86 HB3 PHE 11 HB2 PHE 11 8.802 12.024 -7.935
87 HD1 PHE 11 HD1 PHE 11 9.260 11.612 -11.620
88 HD2 PHE 11 HD2 PHE 11 10.672 10.727 -7.735
89 HE1 PHE 11 HE1 PHE 11 11.102 10.238 -12.602
90 HE2 PHE 11 HE2 PHE 11 12.513 9.351 -8.718
91 HZ PHE 11 HZ PHE 11 12.706 9.123 -11.140
92 H THR 12 H THR 12 8.431 9.559 -8.546
93 HA THR 12 HA THR 12 6.245 8.175 -7.457
94 HB THR 12 HB THR 12 9.241 8.120 -7.058
95 HG1 THR 12 HG1 THR 12 8.037 7.135 -8.821
96 HG21 THR 12 HG21 THR 12 8.863 6.033 -5.669
97 HG22 THR 12 HG22 THR 12 7.141 6.467 -5.540
98 HG23 THR 12 HG23 THR 12 8.379 7.507 -4.796
99 H SER 13 H SER 13 7.793 11.019 -6.384
100 HA SER 13 HA SER 13 7.545 12.322 -4.501
101 HB2 SER 13 HB2 SER 13 5.237 11.885 -3.283
102 HB3 SER 13 HB3 SER 13 5.304 12.677 -4.870
103 HG SER 13 HG SER 13 3.787 11.084 -5.062
104 H CYS 14 H CYS 14 6.629 12.070 -2.040
105 HA CYS 14 HA CYS 14 6.823 9.730 -0.609
106 HB2 CYS 14 HB2 CYS 14 9.371 10.305 -1.778
107 HB3 CYS 14 HB3 CYS 14 9.499 10.517 -0.026
108 HG CYS 14 HG CYS 14 10.130 7.940 0.152
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 1.734 7.810 3.498
2 H2 ALA 1 H2 ALA 1 2.599 6.965 2.377
3 H3 ALA 1 H3 ALA 1 2.526 6.432 3.936
4 HA ALA 1 HA ALA 1 3.566 9.065 3.371
5 HB1 ALA 1 HB1 ALA 1 4.870 8.579 5.420
6 HB2 ALA 1 HB2 ALA 1 3.120 8.412 5.694
7 HB3 ALA 1 HB3 ALA 1 4.132 6.961 5.496
8 H GLY 2 H GLY 2 4.076 5.662 2.872
9 HA2 GLY 2 HA2 GLY 2 6.895 5.795 2.288
10 HA3 GLY 2 HA3 GLY 2 5.786 4.480 1.842
11 H CYS 3 H CYS 3 6.936 4.352 -0.151
12 HA CYS 3 HA CYS 3 7.006 6.569 -1.988
13 HB2 CYS 3 HB2 CYS 3 7.932 3.855 -1.934
14 HB3 CYS 3 HB3 CYS 3 7.054 4.130 -3.446
15 HG CYS 3 HG CYS 3 8.749 6.034 -4.487
16 H LYS 4 H LYS 4 5.264 7.515 -2.682
17 HA LYS 4 HA LYS 4 3.172 5.844 -3.916
18 HB2 LYS 4 HB3 LYS 4 2.349 6.096 -1.652
19 HB3 LYS 4 HB2 LYS 4 2.586 7.856 -1.725
20 HG2 LYS 4 HG2 LYS 4 0.489 8.043 -2.509
21 HG3 LYS 4 HG3 LYS 4 1.022 7.216 -3.989
22 HD2 LYS 4 HD2 LYS 4 0.500 5.031 -2.954
23 HD3 LYS 4 HD3 LYS 4 -0.028 5.856 -1.471
24 HE2 LYS 4 HE2 LYS 4 -1.265 6.304 -4.218
25 HE3 LYS 4 HE3 LYS 4 -1.919 5.191 -2.996
26 HZ1 LYS 4 HZ1 LYS 4 -2.976 7.334 -2.905
27 HZ2 LYS 4 HZ2 LYS 4 -2.138 7.058 -1.511
28 HZ3 LYS 4 HZ3 LYS 4 -1.532 8.088 -2.647
29 H ASN 5 H ASN 5 4.131 6.591 -5.807
30 HA ASN 5 HA ASN 5 4.757 9.118 -6.648
31 HB2 ASN 5 HB2 ASN 5 4.122 8.505 -8.882
32 HB3 ASN 5 HB3 ASN 5 4.681 7.018 -8.086
33 HD21 ASN 5 HD21 ASN 5 3.308 5.377 -7.662
34 HD22 ASN 5 HD22 ASN 5 1.655 5.300 -8.231
35 H PHE 6 H PHE 6 3.618 10.793 -7.748
36 HA PHE 6 HA PHE 6 1.891 12.340 -7.978
37 HB2 PHE 6 HB2 PHE 6 0.806 10.037 -8.686
38 HB3 PHE 6 HB3 PHE 6 -0.057 10.185 -7.146
39 HD1 PHE 6 HD1 PHE 6 0.852 12.641 -9.807
40 HD2 PHE 6 HD2 PHE 6 -2.225 10.834 -7.543
41 HE1 PHE 6 HE1 PHE 6 -0.830 14.129 -10.906
42 HE2 PHE 6 HE2 PHE 6 -3.907 12.324 -8.641
43 HZ PHE 6 HZ PHE 6 -3.189 13.954 -10.307
44 H PHE 7 H PHE 7 3.244 12.191 -5.541
45 HA PHE 7 HA PHE 7 1.193 13.334 -3.750
46 HB2 PHE 7 HB2 PHE 7 1.639 10.688 -3.524
47 HB3 PHE 7 HB3 PHE 7 3.009 11.263 -2.560
48 HD1 PHE 7 HD2 PHE 7 -0.623 12.071 -2.911
49 HD2 PHE 7 HD1 PHE 7 2.622 11.343 -0.304
50 HE1 PHE 7 HE2 PHE 7 -2.139 12.358 -0.942
51 HE2 PHE 7 HE1 PHE 7 1.106 11.628 1.664
52 HZ PHE 7 HZ PHE 7 -1.256 12.131 1.320
53 H TRP 8 H TRP 8 3.290 14.538 -5.149
54 HA TRP 8 HA TRP 8 4.603 15.954 -3.076
55 HB2 TRP 8 HB3 TRP 8 5.834 13.718 -2.958
56 HB3 TRP 8 HB2 TRP 8 6.514 14.129 -4.541
57 HD1 TRP 8 HD1 TRP 8 6.612 15.400 -0.883
58 HE1 TRP 8 HE1 TRP 8 8.763 16.787 -0.505
59 HE3 TRP 8 HE3 TRP 8 8.215 15.403 -5.691
60 HZ2 TRP 8 HZ2 TRP 8 10.885 17.757 -2.123
61 HZ3 TRP 8 HZ3 TRP 8 10.335 16.595 -6.206
62 HH2 TRP 8 HH2 TRP 8 11.655 17.743 -4.513
63 H LYS 9 H LYS 9 5.929 14.781 -6.159
64 HA LYS 9 HA LYS 9 5.134 17.301 -7.454
65 HB2 LYS 9 HB2 LYS 9 7.485 17.437 -6.260
66 HB3 LYS 9 HB3 LYS 9 8.027 16.570 -7.713
67 HG2 LYS 9 HG3 LYS 9 7.567 18.349 -9.114
68 HG3 LYS 9 HG2 LYS 9 6.239 18.946 -8.094
69 HD2 LYS 9 HD2 LYS 9 7.637 20.471 -7.225
70 HD3 LYS 9 HD3 LYS 9 8.604 19.151 -6.531
71 HE2 LYS 9 HE2 LYS 9 8.936 20.283 -9.341
72 HE3 LYS 9 HE3 LYS 9 9.966 20.683 -7.949
73 HZ1 LYS 9 HZ1 LYS 9 10.926 18.960 -9.300
74 HZ2 LYS 9 HZ2 LYS 9 9.601 17.999 -9.099
75 HZ3 LYS 9 HZ3 LYS 9 10.557 18.367 -7.806
76 H THR 10 H THR 10 4.042 14.883 -7.831
77 HA THR 10 HA THR 10 3.353 13.671 -9.687
78 HB THR 10 HB THR 10 4.774 15.757 -10.863
79 HG1 THR 10 HG1 THR 10 3.664 14.791 -12.698
80 HG21 THR 10 HG21 THR 10 5.873 14.475 -12.806
81 HG22 THR 10 HG22 THR 10 6.808 14.438 -11.293
82 HG23 THR 10 HG23 THR 10 5.838 13.026 -11.774
83 H PHE 11 H PHE 11 6.887 13.783 -9.270
84 HA PHE 11 HA PHE 11 7.557 11.202 -10.116
85 HB2 PHE 11 HB2 PHE 11 8.834 13.320 -9.015
86 HB3 PHE 11 HB3 PHE 11 8.789 12.257 -7.599
87 HD1 PHE 11 HD1 PHE 11 9.407 11.749 -11.250
88 HD2 PHE 11 HD2 PHE 11 10.784 11.169 -7.297
89 HE1 PHE 11 HE1 PHE 11 11.399 10.517 -12.124
90 HE2 PHE 11 HE2 PHE 11 12.775 9.935 -8.171
91 HZ PHE 11 HZ PHE 11 13.060 9.627 -10.575
92 H THR 12 H THR 12 8.630 9.706 -8.236
93 HA THR 12 HA THR 12 6.525 8.176 -7.203
94 HB THR 12 HB THR 12 8.707 7.179 -7.473
95 HG1 THR 12 HG1 THR 12 7.585 6.387 -5.672
96 HG21 THR 12 HG21 THR 12 10.197 8.185 -5.266
97 HG22 THR 12 HG22 THR 12 9.601 9.635 -6.108
98 HG23 THR 12 HG23 THR 12 10.579 8.436 -6.986
99 H SER 13 H SER 13 7.835 11.126 -6.083
100 HA SER 13 HA SER 13 7.424 12.413 -4.219
101 HB2 SER 13 HB2 SER 13 5.096 11.844 -3.105
102 HB3 SER 13 HB3 SER 13 5.184 12.626 -4.696
103 HG SER 13 HG SER 13 4.603 9.918 -4.075
104 H CYS 14 H CYS 14 8.783 9.776 -4.005
105 HA CYS 14 HA CYS 14 8.105 8.459 -1.603
106 HB2 CYS 14 HB2 CYS 14 10.130 8.244 -3.496
107 HB3 CYS 14 HB3 CYS 14 10.992 8.652 -2.005
108 HG CYS 14 HG CYS 14 10.490 6.349 -0.655
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 2.619 3.338 2.713
2 H2 ALA 1 H2 ALA 1 2.471 1.815 2.097
3 H3 ALA 1 H3 ALA 1 2.801 3.082 1.094
4 HA ALA 1 HA ALA 1 4.534 2.030 3.189
5 HB1 ALA 1 HB1 ALA 1 5.967 1.339 1.290
6 HB2 ALA 1 HB2 ALA 1 4.727 1.921 0.154
7 HB3 ALA 1 HB3 ALA 1 4.370 0.554 1.235
8 H GLY 2 H GLY 2 6.867 2.847 2.416
9 HA2 GLY 2 HA2 GLY 2 6.899 5.632 3.054
10 HA3 GLY 2 HA3 GLY 2 8.285 4.677 2.484
11 H CYS 3 H CYS 3 6.434 7.292 1.842
12 HA CYS 3 HA CYS 3 6.201 8.660 0.010
13 HB2 CYS 3 HB3 CYS 3 8.177 6.892 -1.446
14 HB3 CYS 3 HB2 CYS 3 7.793 8.593 -1.750
15 HG CYS 3 HG CYS 3 9.335 7.567 1.188
16 H LYS 4 H LYS 4 5.190 8.777 -2.055
17 HA LYS 4 HA LYS 4 4.277 6.340 -3.329
18 HB2 LYS 4 HB2 LYS 4 1.839 6.780 -2.924
19 HB3 LYS 4 HB3 LYS 4 2.745 6.219 -1.502
20 HG2 LYS 4 HG2 LYS 4 3.027 8.948 -1.295
21 HG3 LYS 4 HG3 LYS 4 1.402 8.812 -2.003
22 HD2 LYS 4 HD3 LYS 4 0.601 7.506 -0.183
23 HD3 LYS 4 HD2 LYS 4 2.245 7.159 0.396
24 HE2 LYS 4 HE2 LYS 4 1.132 9.980 0.309
25 HE3 LYS 4 HE3 LYS 4 0.894 8.913 1.711
26 HZ1 LYS 4 HZ1 LYS 4 2.833 10.290 1.959
27 HZ2 LYS 4 HZ2 LYS 4 3.274 8.703 1.870
28 HZ3 LYS 4 HZ3 LYS 4 3.493 9.694 0.570
29 H ASN 5 H ASN 5 4.598 6.845 -5.328
30 HA ASN 5 HA ASN 5 4.970 9.304 -6.496
31 HB2 ASN 5 HB2 ASN 5 4.425 8.337 -8.612
32 HB3 ASN 5 HB3 ASN 5 5.074 7.005 -7.631
33 HD21 ASN 5 HD21 ASN 5 2.461 8.227 -9.433
34 HD22 ASN 5 HD22 ASN 5 1.295 6.957 -9.136
35 H PHE 6 H PHE 6 3.673 10.747 -7.692
36 HA PHE 6 HA PHE 6 1.738 11.970 -8.180
37 HB2 PHE 6 HB2 PHE 6 0.876 9.407 -8.138
38 HB3 PHE 6 HB3 PHE 6 -0.008 10.016 -6.729
39 HD1 PHE 6 HD2 PHE 6 0.640 10.786 -10.311
40 HD2 PHE 6 HD1 PHE 6 -2.033 11.095 -7.052
41 HE1 PHE 6 HE2 PHE 6 -1.100 11.744 -11.829
42 HE2 PHE 6 HE1 PHE 6 -3.774 12.050 -8.571
43 HZ PHE 6 HZ PHE 6 -3.287 12.363 -10.941
44 H PHE 7 H PHE 7 0.288 13.382 -7.117
45 HA PHE 7 HA PHE 7 -0.381 14.751 -5.358
46 HB2 PHE 7 HB2 PHE 7 -1.273 12.434 -4.688
47 HB3 PHE 7 HB3 PHE 7 0.132 12.312 -3.616
48 HD1 PHE 7 HD1 PHE 7 -2.689 14.628 -4.386
49 HD2 PHE 7 HD2 PHE 7 -0.104 13.040 -1.442
50 HE1 PHE 7 HE1 PHE 7 -3.946 15.866 -2.614
51 HE2 PHE 7 HE2 PHE 7 -1.360 14.280 0.329
52 HZ PHE 7 HZ PHE 7 -3.264 15.678 -0.278
53 H TRP 8 H TRP 8 2.335 14.802 -6.113
54 HA TRP 8 HA TRP 8 3.461 16.019 -3.737
55 HB2 TRP 8 HB3 TRP 8 3.959 13.597 -3.348
56 HB3 TRP 8 HB2 TRP 8 4.895 13.595 -4.852
57 HD1 TRP 8 HD1 TRP 8 5.082 14.957 -1.252
58 HE1 TRP 8 HE1 TRP 8 7.508 15.669 -0.706
59 HE3 TRP 8 HE3 TRP 8 6.981 14.362 -5.914
60 HZ2 TRP 8 HZ2 TRP 8 9.940 15.928 -2.147
61 HZ3 TRP 8 HZ3 TRP 8 9.390 14.868 -6.258
62 HH2 TRP 8 HH2 TRP 8 10.855 15.626 -4.467
63 H LYS 9 H LYS 9 5.079 14.435 -6.465
64 HA LYS 9 HA LYS 9 5.213 16.963 -7.934
65 HB2 LYS 9 HB2 LYS 9 7.110 16.821 -6.117
66 HB3 LYS 9 HB3 LYS 9 7.880 15.741 -7.301
67 HG2 LYS 9 HG2 LYS 9 7.647 17.508 -9.035
68 HG3 LYS 9 HG3 LYS 9 6.927 18.589 -7.822
69 HD2 LYS 9 HD3 LYS 9 8.938 19.018 -6.817
70 HD3 LYS 9 HD2 LYS 9 9.539 17.367 -7.081
71 HE2 LYS 9 HE3 LYS 9 9.165 19.017 -9.534
72 HE3 LYS 9 HE2 LYS 9 10.463 19.538 -8.436
73 HZ1 LYS 9 HZ1 LYS 9 11.243 17.947 -10.042
74 HZ2 LYS 9 HZ2 LYS 9 11.343 17.315 -8.522
75 HZ3 LYS 9 HZ3 LYS 9 10.139 16.829 -9.539
76 H THR 10 H THR 10 4.014 14.413 -8.301
77 HA THR 10 HA THR 10 3.643 13.052 -10.130
78 HB THR 10 HB THR 10 5.044 15.210 -11.221
79 HG1 THR 10 HG1 THR 10 3.148 14.018 -11.941
80 HG21 THR 10 HG21 THR 10 6.364 13.939 -13.035
81 HG22 THR 10 HG22 THR 10 6.326 12.522 -11.960
82 HG23 THR 10 HG23 THR 10 7.172 14.003 -11.451
83 H PHE 11 H PHE 11 7.141 13.431 -9.541
84 HA PHE 11 HA PHE 11 7.999 10.847 -10.175
85 HB2 PHE 11 HB2 PHE 11 9.100 13.113 -9.180
86 HB3 PHE 11 HB3 PHE 11 9.068 12.145 -7.697
87 HD1 PHE 11 HD1 PHE 11 9.663 11.037 -11.194
88 HD2 PHE 11 HD2 PHE 11 11.304 11.610 -7.342
89 HE1 PHE 11 HE1 PHE 11 11.760 9.882 -11.915
90 HE2 PHE 11 HE2 PHE 11 13.401 10.456 -8.063
91 HZ PHE 11 HZ PHE 11 13.603 9.603 -10.340
92 H THR 12 H THR 12 9.077 9.527 -8.189
93 HA THR 12 HA THR 12 7.077 7.913 -7.134
94 HB THR 12 HB THR 12 8.919 7.174 -5.506
95 HG1 THR 12 HG1 THR 12 9.776 9.360 -5.378
96 HG21 THR 12 HG21 THR 12 10.528 6.497 -7.258
97 HG22 THR 12 HG22 THR 12 8.885 6.333 -7.923
98 HG23 THR 12 HG23 THR 12 9.888 7.735 -8.365
99 H SER 13 H SER 13 8.081 11.039 -6.125
100 HA SER 13 HA SER 13 7.105 12.470 -4.592
101 HB2 SER 13 HB2 SER 13 5.325 10.205 -3.664
102 HB3 SER 13 HB3 SER 13 5.054 11.952 -3.504
103 HG SER 13 HG SER 13 4.585 12.078 -5.657
104 H CYS 14 H CYS 14 6.152 11.829 -1.992
105 HA CYS 14 HA CYS 14 7.489 10.156 -0.352
106 HB2 CYS 14 HB2 CYS 14 9.430 12.024 -1.536
107 HB3 CYS 14 HB3 CYS 14 9.483 11.956 0.232
108 HG CYS 14 HG CYS 14 11.328 10.127 -1.415
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 5.454 -0.043 3.767
2 H2 ALA 1 H2 ALA 1 6.547 0.747 2.818
3 H3 ALA 1 H3 ALA 1 7.068 -0.311 3.971
4 HA ALA 1 HA ALA 1 6.266 1.049 5.704
5 HB1 ALA 1 HB1 ALA 1 7.860 2.920 5.398
6 HB2 ALA 1 HB2 ALA 1 8.570 1.360 4.919
7 HB3 ALA 1 HB3 ALA 1 8.008 2.501 3.674
8 H GLY 2 H GLY 2 6.004 2.638 2.521
9 HA2 GLY 2 HA2 GLY 2 3.325 3.420 2.729
10 HA3 GLY 2 HA3 GLY 2 4.267 4.732 3.472
11 H CYS 3 H CYS 3 5.086 6.241 2.211
12 HA CYS 3 HA CYS 3 5.622 7.417 0.311
13 HB2 CYS 3 HB2 CYS 3 7.285 5.468 0.173
14 HB3 CYS 3 HB3 CYS 3 6.208 4.789 -1.056
15 HG CYS 3 HG CYS 3 7.609 5.991 -2.951
16 H LYS 4 H LYS 4 4.858 7.987 -1.786
17 HA LYS 4 HA LYS 4 2.872 6.514 -3.174
18 HB2 LYS 4 HB2 LYS 4 1.834 7.474 -0.815
19 HB3 LYS 4 HB3 LYS 4 1.370 8.736 -1.977
20 HG2 LYS 4 HG3 LYS 4 0.963 5.817 -2.652
21 HG3 LYS 4 HG2 LYS 4 -0.206 6.670 -1.621
22 HD2 LYS 4 HD3 LYS 4 -0.070 8.489 -3.567
23 HD3 LYS 4 HD2 LYS 4 0.445 7.083 -4.525
24 HE2 LYS 4 HE2 LYS 4 -2.135 7.349 -2.929
25 HE3 LYS 4 HE3 LYS 4 -1.976 7.335 -4.700
26 HZ1 LYS 4 HZ1 LYS 4 -2.470 5.185 -4.279
27 HZ2 LYS 4 HZ2 LYS 4 -0.826 5.086 -4.195
28 HZ3 LYS 4 HZ3 LYS 4 -1.720 5.145 -2.811
29 H ASN 5 H ASN 5 2.853 7.230 -5.147
30 HA ASN 5 HA ASN 5 4.364 9.591 -5.861
31 HB2 ASN 5 HB2 ASN 5 3.751 9.078 -8.142
32 HB3 ASN 5 HB3 ASN 5 4.100 7.540 -7.322
33 HD21 ASN 5 HD21 ASN 5 2.750 7.307 -9.541
34 HD22 ASN 5 HD22 ASN 5 1.051 6.981 -9.282
35 H PHE 6 H PHE 6 3.464 11.304 -7.249
36 HA PHE 6 HA PHE 6 1.958 13.038 -7.651
37 HB2 PHE 6 HB2 PHE 6 0.491 10.698 -7.724
38 HB3 PHE 6 HB3 PHE 6 -0.366 11.621 -6.479
39 HD1 PHE 6 HD2 PHE 6 0.656 11.584 -10.011
40 HD2 PHE 6 HD1 PHE 6 -1.658 13.539 -7.065
41 HE1 PHE 6 HE2 PHE 6 -0.527 12.874 -11.796
42 HE2 PHE 6 HE1 PHE 6 -2.843 14.829 -8.849
43 HZ PHE 6 HZ PHE 6 -2.263 14.481 -11.193
44 H PHE 7 H PHE 7 3.413 13.002 -5.272
45 HA PHE 7 HA PHE 7 1.653 14.659 -3.572
46 HB2 PHE 7 HB3 PHE 7 2.759 11.950 -2.865
47 HB3 PHE 7 HB2 PHE 7 2.715 13.195 -1.606
48 HD1 PHE 7 HD1 PHE 7 0.386 14.446 -1.427
49 HD2 PHE 7 HD2 PHE 7 0.918 10.585 -3.061
50 HE1 PHE 7 HE1 PHE 7 -2.019 13.927 -0.984
51 HE2 PHE 7 HE2 PHE 7 -1.487 10.066 -2.620
52 HZ PHE 7 HZ PHE 7 -2.928 11.745 -1.588
53 H TRP 8 H TRP 8 3.813 15.349 -5.209
54 HA TRP 8 HA TRP 8 5.434 16.808 -3.398
55 HB2 TRP 8 HB2 TRP 8 6.312 14.379 -3.132
56 HB3 TRP 8 HB3 TRP 8 7.059 14.641 -4.717
57 HD1 TRP 8 HD1 TRP 8 7.184 16.143 -1.132
58 HE1 TRP 8 HE1 TRP 8 9.495 17.238 -0.735
59 HE3 TRP 8 HE3 TRP 8 9.001 15.506 -5.820
60 HZ2 TRP 8 HZ2 TRP 8 11.812 17.750 -2.292
61 HZ3 TRP 8 HZ3 TRP 8 11.295 16.333 -6.298
62 HH2 TRP 8 HH2 TRP 8 12.687 17.422 -4.623
63 H LYS 9 H LYS 9 6.341 15.075 -6.370
64 HA LYS 9 HA LYS 9 5.767 17.440 -7.986
65 HB2 LYS 9 HB2 LYS 9 8.221 17.437 -6.815
66 HB3 LYS 9 HB3 LYS 9 8.578 16.594 -8.338
67 HG2 LYS 9 HG3 LYS 9 7.297 19.335 -8.004
68 HG3 LYS 9 HG2 LYS 9 8.897 18.970 -8.687
69 HD2 LYS 9 HD2 LYS 9 7.904 17.852 -10.590
70 HD3 LYS 9 HD3 LYS 9 6.281 17.972 -9.877
71 HE2 LYS 9 HE2 LYS 9 6.040 19.904 -11.011
72 HE3 LYS 9 HE3 LYS 9 7.233 20.614 -9.899
73 HZ1 LYS 9 HZ1 LYS 9 7.871 20.896 -12.187
74 HZ2 LYS 9 HZ2 LYS 9 8.955 19.923 -11.413
75 HZ3 LYS 9 HZ3 LYS 9 7.847 19.267 -12.444
76 H THR 10 H THR 10 4.454 15.191 -8.111
77 HA THR 10 HA THR 10 3.697 13.762 -9.769
78 HB THR 10 HB THR 10 5.362 15.492 -11.190
79 HG1 THR 10 HG1 THR 10 3.249 14.576 -11.662
80 HG21 THR 10 HG21 THR 10 6.325 13.815 -12.892
81 HG22 THR 10 HG22 THR 10 7.237 13.912 -11.366
82 HG23 THR 10 HG23 THR 10 6.121 12.555 -11.652
83 H PHE 11 H PHE 11 7.227 13.574 -9.325
84 HA PHE 11 HA PHE 11 7.636 10.846 -9.728
85 HB2 PHE 11 HB2 PHE 11 9.106 12.971 -8.914
86 HB3 PHE 11 HB3 PHE 11 8.935 12.137 -7.361
87 HD1 PHE 11 HD2 PHE 11 9.700 11.233 -10.906
88 HD2 PHE 11 HD1 PHE 11 10.653 10.719 -6.821
89 HE1 PHE 11 HE2 PHE 11 11.569 9.696 -11.535
90 HE2 PHE 11 HE1 PHE 11 12.521 9.182 -7.450
91 HZ PHE 11 HZ PHE 11 12.957 8.689 -9.800
92 H THR 12 H THR 12 8.445 9.451 -7.724
93 HA THR 12 HA THR 12 6.214 8.338 -6.514
94 HB THR 12 HB THR 12 8.343 7.156 -6.576
95 HG1 THR 12 HG1 THR 12 7.885 6.353 -4.606
96 HG21 THR 12 HG21 THR 12 10.302 8.208 -5.985
97 HG22 THR 12 HG22 THR 12 9.684 8.364 -4.323
98 HG23 THR 12 HG23 THR 12 9.384 9.657 -5.509
99 H SER 13 H SER 13 7.868 11.248 -5.710
100 HA SER 13 HA SER 13 7.511 12.835 -4.083
101 HB2 SER 13 HB3 SER 13 5.053 12.526 -2.992
102 HB3 SER 13 HB2 SER 13 5.348 13.302 -4.562
103 HG SER 13 HG SER 13 4.582 11.562 -5.590
104 H CYS 14 H CYS 14 8.574 10.136 -3.447
105 HA CYS 14 HA CYS 14 7.696 9.187 -0.958
106 HB2 CYS 14 HB2 CYS 14 10.027 8.870 -2.614
107 HB3 CYS 14 HB3 CYS 14 10.526 9.037 -0.925
108 HG CYS 14 HG CYS 14 10.338 6.375 -0.777
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