NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8592 |
1mii   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 -6.569 5.851 5.851
2 2H GLY 1 3H GLY 1 -6.884 6.904 6.904
3 3H GLY 1 2H GLY 1 -7.043 5.225 5.225
4 1HA GLY 1 1HA GLY 1 -5.030 6.019 6.019
5 2HA GLY 1 2HA GLY 1 -4.510 6.670 6.670
6 H CYS 2 H CYS 2 -3.151 4.846 4.846
7 HA CYS 2 HA CYS 2 -3.380 2.164 2.164
8 1HB CYS 2 2HB CYS 2 -1.791 3.408 3.408
9 2HB CYS 2 1HB CYS 2 -0.768 3.619 3.619
10 H CYS 3 H CYS 3 -1.971 4.662 4.662
11 HA CYS 3 HA CYS 3 -0.833 2.944 2.944
12 1HB CYS 3 2HB CYS 3 0.351 4.922 4.922
13 2HB CYS 3 1HB CYS 3 -0.935 5.806 5.806
14 H SER 4 H SER 4 -3.892 4.474 4.474
15 HA SER 4 HA SER 4 -4.492 3.848 3.848
16 1HB SER 4 2HB SER 4 -6.752 5.117 5.117
17 2HB SER 4 1HB SER 4 -5.286 6.082 6.082
18 HG SER 4 HG SER 4 -6.144 4.827 4.827
19 H ASN 5 H ASN 5 -4.409 2.455 2.455
20 HA ASN 5 HA ASN 5 -6.938 0.932 0.932
21 1HB ASN 5 2HB ASN 5 -4.356 1.210 1.210
22 2HB ASN 5 1HB ASN 5 -5.147 -0.270 -0.270
23 1HD2 ASN 5 1HD2 ASN 5 -5.288 0.339 0.339
24 2HD2 ASN 5 2HD2 ASN 5 -6.476 1.413 1.413
25 HA PRO 6 HA PRO 6 -5.339 -2.298 -2.298
26 1HB PRO 6 2HB PRO 6 -6.561 -4.495 -4.495
27 2HB PRO 6 1HB PRO 6 -7.326 -3.222 -3.222
28 1HG PRO 6 2HG PRO 6 -7.498 -3.827 -3.827
29 2HG PRO 6 1HG PRO 6 -8.616 -2.928 -2.928
30 1HD PRO 6 2HD PRO 6 -6.762 -1.679 -1.679
31 2HD PRO 6 1HD PRO 6 -7.859 -0.962 -0.962
32 H VAL 7 H VAL 7 -5.708 -3.597 -3.597
33 HA VAL 7 HA VAL 7 -3.508 -5.343 -5.343
34 HB VAL 7 HB VAL 7 -5.006 -4.315 -4.315
35 1HG1 VAL 7 3HG1 VAL 7 -2.849 -6.393 -6.393
36 2HG1 VAL 7 2HG1 VAL 7 -4.201 -6.815 -6.815
37 3HG1 VAL 7 1HG1 VAL 7 -3.253 -5.385 -5.385
38 1HG2 VAL 7 3HG2 VAL 7 -5.338 -6.654 -6.654
39 2HG2 VAL 7 2HG2 VAL 7 -6.447 -5.305 -5.305
40 3HG2 VAL 7 1HG2 VAL 7 -6.194 -6.488 -6.488
41 H CYS 8 H CYS 8 -4.041 -2.285 -2.285
42 HA CYS 8 HA CYS 8 -1.449 -2.100 -2.100
43 1HB CYS 8 2HB CYS 8 -3.843 -0.950 -0.950
44 2HB CYS 8 1HB CYS 8 -3.062 0.245 0.245
45 H HIS 9 H HIS 9 -2.699 -1.632 -1.632
46 HA HIS 9 HA HIS 9 -0.407 0.106 0.106
47 1HB HIS 9 2HB HIS 9 -2.508 0.538 0.538
48 2HB HIS 9 1HB HIS 9 -2.699 -1.168 -1.168
49 HD1 HIS 9 HD1 HIS 9 0.533 0.463 0.463
50 HD2 HIS 9 HD2 HIS 9 -2.905 -0.413 -0.413
51 HE1 HIS 9 HE1 HIS 9 1.035 0.768 0.768
52 H LEU 10 H LEU 10 -1.457 -3.180 -3.180
53 HA LEU 10 HA LEU 10 0.258 -4.330 -4.330
54 1HB LEU 10 2HB LEU 10 -1.872 -5.049 -5.049
55 2HB LEU 10 1HB LEU 10 -0.612 -5.768 -5.768
56 HG LEU 10 HG LEU 10 -1.570 -7.285 -7.285
57 1HD1 LEU 10 1HD1 LEU 10 0.967 -7.311 -7.311
58 2HD1 LEU 10 3HD1 LEU 10 1.114 -6.422 -6.422
59 3HD1 LEU 10 2HD1 LEU 10 0.433 -8.043 -8.043
60 1HD2 LEU 10 2HD2 LEU 10 -2.319 -5.296 -5.296
61 2HD2 LEU 10 1HD2 LEU 10 -1.935 -6.810 -6.810
62 3HD2 LEU 10 3HD2 LEU 10 -0.777 -5.489 -5.489
63 H GLU 11 H GLU 11 0.216 -4.030 -4.030
64 HA GLU 11 HA GLU 11 2.834 -4.871 -4.871
65 1HB GLU 11 2HB GLU 11 0.868 -3.172 -3.172
66 2HB GLU 11 1HB GLU 11 2.380 -3.730 -3.730
67 1HG GLU 11 2HG GLU 11 1.683 -6.053 -6.053
68 2HG GLU 11 1HG GLU 11 0.282 -5.591 -5.591
69 H HIS 12 H HIS 12 1.399 -1.646 -1.646
70 HA HIS 12 HA HIS 12 4.076 -0.378 -0.378
71 1HB HIS 12 2HB HIS 12 1.567 1.230 1.230
72 2HB HIS 12 1HB HIS 12 3.230 1.409 1.409
73 HD1 HIS 12 HD1 HIS 12 1.370 -1.510 -1.510
74 HD2 HIS 12 HD2 HIS 12 3.131 1.728 1.728
75 HE1 HIS 12 HE1 HIS 12 1.307 -1.898 -1.898
76 H SER 13 H SER 13 3.867 -1.406 -1.406
77 HA SER 13 HA SER 13 2.414 0.125 0.125
78 1HB SER 13 2HB SER 13 2.684 -2.512 -2.512
79 2HB SER 13 1HB SER 13 4.333 -2.181 -2.181
80 HG SER 13 HG SER 13 3.433 -0.858 -0.858
81 H ASN 14 H ASN 14 4.658 0.890 0.890
82 HA ASN 14 HA ASN 14 6.916 1.511 1.511
83 1HB ASN 14 2HB ASN 14 7.410 0.482 0.482
84 2HB ASN 14 1HB ASN 14 6.286 1.497 1.497
85 1HD2 ASN 14 1HD2 ASN 14 6.899 3.846 3.846
86 2HD2 ASN 14 2HD2 ASN 14 8.536 4.294 4.294
87 H LEU 15 H LEU 15 5.058 2.950 2.950
88 HA LEU 15 HA LEU 15 5.321 5.639 5.639
89 1HB LEU 15 2HB LEU 15 2.738 5.445 5.445
90 2HB LEU 15 1HB LEU 15 4.207 5.515 5.515
91 HG LEU 15 HG LEU 15 3.338 2.944 2.944
92 1HD1 LEU 15 1HD1 LEU 15 1.852 4.799 4.799
93 2HD1 LEU 15 3HD1 LEU 15 2.179 3.252 3.252
94 3HD1 LEU 15 2HD1 LEU 15 1.296 3.328 3.328
95 1HD2 LEU 15 3HD2 LEU 15 5.468 3.988 3.988
96 2HD2 LEU 15 2HD2 LEU 15 5.006 2.310 2.310
97 3HD2 LEU 15 1HD2 LEU 15 4.363 3.310 3.310
98 H CYS 16 H CYS 16 2.723 3.414 3.414
99 HA CYS 16 HA CYS 16 1.700 5.294 5.294
100 1HB CYS 16 2HB CYS 16 0.564 3.713 3.713
101 2HB CYS 16 1HB CYS 16 0.403 2.711 2.711
102 1HN NH2 17 1HN NH2 17 3.247 2.172 2.172
103 2HN NH2 17 2HN NH2 17 3.376 1.866 1.866
Start of MODEL 2
1 1H GLY 1 3H GLY 1 -6.843 5.614 5.614
2 2H GLY 1 2H GLY 1 -5.509 6.414 6.414
3 3H GLY 1 1H GLY 1 -6.534 7.236 7.236
4 1HA GLY 1 1HA GLY 1 -5.872 5.783 5.783
5 2HA GLY 1 2HA GLY 1 -4.487 6.617 6.617
6 H CYS 2 H CYS 2 -3.353 4.845 4.845
7 HA CYS 2 HA CYS 2 -3.534 2.158 2.158
8 1HB CYS 2 2HB CYS 2 -2.000 3.389 3.389
9 2HB CYS 2 1HB CYS 2 -0.946 3.658 3.658
10 H CYS 3 H CYS 3 -2.011 4.658 4.658
11 HA CYS 3 HA CYS 3 -0.860 2.920 2.920
12 1HB CYS 3 2HB CYS 3 0.364 4.871 4.871
13 2HB CYS 3 1HB CYS 3 -0.885 5.768 5.768
14 H SER 4 H SER 4 -3.900 4.440 4.440
15 HA SER 4 HA SER 4 -4.482 3.887 3.887
16 1HB SER 4 2HB SER 4 -5.138 6.147 6.147
17 2HB SER 4 1HB SER 4 -6.390 5.235 5.235
18 HG SER 4 HG SER 4 -7.193 4.555 4.555
19 H ASN 5 H ASN 5 -4.443 2.435 2.435
20 HA ASN 5 HA ASN 5 -6.964 0.891 0.891
21 1HB ASN 5 2HB ASN 5 -4.426 1.164 1.164
22 2HB ASN 5 1HB ASN 5 -5.197 -0.331 -0.331
23 1HD2 ASN 5 1HD2 ASN 5 -5.484 0.164 0.164
24 2HD2 ASN 5 2HD2 ASN 5 -6.670 1.245 1.245
25 HA PRO 6 HA PRO 6 -5.291 -2.292 -2.292
26 1HB PRO 6 2HB PRO 6 -6.505 -4.515 -4.515
27 2HB PRO 6 1HB PRO 6 -7.270 -3.237 -3.237
28 1HG PRO 6 2HG PRO 6 -7.470 -3.877 -3.877
29 2HG PRO 6 1HG PRO 6 -8.586 -2.984 -2.984
30 1HD PRO 6 2HD PRO 6 -6.783 -1.727 -1.727
31 2HD PRO 6 1HD PRO 6 -7.867 -1.015 -1.015
32 H VAL 7 H VAL 7 -5.690 -3.635 -3.635
33 HA VAL 7 HA VAL 7 -3.472 -5.357 -5.357
34 HB VAL 7 HB VAL 7 -4.994 -4.381 -4.381
35 1HG1 VAL 7 3HG1 VAL 7 -2.898 -6.540 -6.540
36 2HG1 VAL 7 2HG1 VAL 7 -4.200 -6.811 -6.811
37 3HG1 VAL 7 1HG1 VAL 7 -3.137 -5.435 -5.435
38 1HG2 VAL 7 1HG2 VAL 7 -5.293 -6.689 -6.689
39 2HG2 VAL 7 3HG2 VAL 7 -6.416 -5.357 -5.357
40 3HG2 VAL 7 2HG2 VAL 7 -6.161 -6.559 -6.559
41 H CYS 8 H CYS 8 -4.043 -2.331 -2.331
42 HA CYS 8 HA CYS 8 -1.471 -2.143 -2.143
43 1HB CYS 8 2HB CYS 8 -3.886 -1.003 -1.003
44 2HB CYS 8 1HB CYS 8 -3.098 0.204 0.204
45 H HIS 9 H HIS 9 -2.687 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.375 0.092 0.092
47 1HB HIS 9 2HB HIS 9 -2.490 0.557 0.557
48 2HB HIS 9 1HB HIS 9 -2.678 -1.138 -1.138
49 HD1 HIS 9 HD1 HIS 9 0.551 0.487 0.487
50 HD2 HIS 9 HD2 HIS 9 -2.918 -0.313 -0.313
51 HE1 HIS 9 HE1 HIS 9 1.028 0.840 0.840
52 H LEU 10 H LEU 10 -1.463 -3.177 -3.177
53 HA LEU 10 HA LEU 10 0.204 -4.328 -4.328
54 1HB LEU 10 2HB LEU 10 -1.893 -5.050 -5.050
55 2HB LEU 10 1HB LEU 10 -0.615 -5.774 -5.774
56 HG LEU 10 HG LEU 10 -1.613 -7.283 -7.283
57 1HD1 LEU 10 1HD1 LEU 10 0.935 -7.307 -7.307
58 2HD1 LEU 10 3HD1 LEU 10 1.043 -6.425 -6.425
59 3HD1 LEU 10 2HD1 LEU 10 0.362 -8.046 -8.046
60 1HD2 LEU 10 3HD2 LEU 10 -2.395 -5.291 -5.291
61 2HD2 LEU 10 2HD2 LEU 10 -2.017 -6.796 -6.796
62 3HD2 LEU 10 1HD2 LEU 10 -0.867 -5.469 -5.469
63 H GLU 11 H GLU 11 0.244 -4.014 -4.014
64 HA GLU 11 HA GLU 11 2.867 -4.898 -4.898
65 1HB GLU 11 2HB GLU 11 1.019 -3.133 -3.133
66 2HB GLU 11 1HB GLU 11 2.519 -3.790 -3.790
67 1HG GLU 11 2HG GLU 11 1.712 -6.062 -6.062
68 2HG GLU 11 1HG GLU 11 0.313 -5.555 -5.555
69 H HIS 12 H HIS 12 1.451 -1.652 -1.652
70 HA HIS 12 HA HIS 12 4.124 -0.393 -0.393
71 1HB HIS 12 2HB HIS 12 1.636 1.221 1.221
72 2HB HIS 12 1HB HIS 12 3.303 1.391 1.391
73 HD1 HIS 12 HD1 HIS 12 2.371 -1.784 -1.784
74 HD2 HIS 12 HD2 HIS 12 2.102 2.050 2.050
75 HE1 HIS 12 HE1 HIS 12 2.015 -1.929 -1.929
76 H SER 13 H SER 13 3.868 -1.415 -1.415
77 HA SER 13 HA SER 13 2.392 0.154 0.154
78 1HB SER 13 2HB SER 13 2.633 -2.484 -2.484
79 2HB SER 13 1HB SER 13 4.273 -2.161 -2.161
80 HG SER 13 HG SER 13 3.294 -0.744 -0.744
81 H ASN 14 H ASN 14 4.679 0.876 0.876
82 HA ASN 14 HA ASN 14 6.904 1.490 1.490
83 1HB ASN 14 2HB ASN 14 7.439 0.437 0.437
84 2HB ASN 14 1HB ASN 14 6.335 1.445 1.445
85 1HD2 ASN 14 1HD2 ASN 14 6.964 3.774 3.774
86 2HD2 ASN 14 2HD2 ASN 14 8.601 4.222 4.222
87 H LEU 15 H LEU 15 5.126 2.930 2.930
88 HA LEU 15 HA LEU 15 5.404 5.621 5.621
89 1HB LEU 15 2HB LEU 15 2.843 5.448 5.448
90 2HB LEU 15 1HB LEU 15 4.328 5.477 5.477
91 HG LEU 15 HG LEU 15 3.409 2.934 2.934
92 1HD1 LEU 15 2HD1 LEU 15 1.948 4.780 4.780
93 2HD1 LEU 15 1HD1 LEU 15 2.279 3.237 3.237
94 3HD1 LEU 15 3HD1 LEU 15 1.386 3.309 3.309
95 1HD2 LEU 15 1HD2 LEU 15 5.566 3.927 3.927
96 2HD2 LEU 15 3HD2 LEU 15 5.083 2.256 2.256
97 3HD2 LEU 15 2HD2 LEU 15 4.462 3.237 3.237
98 H CYS 16 H CYS 16 2.743 3.449 3.449
99 HA CYS 16 HA CYS 16 1.702 5.352 5.352
100 1HB CYS 16 2HB CYS 16 0.590 3.749 3.749
101 2HB CYS 16 1HB CYS 16 0.402 2.770 2.770
102 1HN NH2 17 1HN NH2 17 3.214 2.200 2.200
103 2HN NH2 17 2HN NH2 17 3.310 1.922 1.922
Start of MODEL 3
1 1H GLY 1 2H GLY 1 -5.449 6.425 6.425
2 2H GLY 1 1H GLY 1 -6.468 7.260 7.260
3 3H GLY 1 3H GLY 1 -6.794 5.640 5.640
4 1HA GLY 1 1HA GLY 1 -5.829 5.792 5.792
5 2HA GLY 1 2HA GLY 1 -4.435 6.618 6.618
6 H CYS 2 H CYS 2 -3.309 4.847 4.847
7 HA CYS 2 HA CYS 2 -3.504 2.159 2.159
8 1HB CYS 2 2HB CYS 2 -1.956 3.384 3.384
9 2HB CYS 2 1HB CYS 2 -0.909 3.649 3.649
10 H CYS 3 H CYS 3 -2.002 4.653 4.653
11 HA CYS 3 HA CYS 3 -0.853 2.924 2.924
12 1HB CYS 3 2HB CYS 3 0.359 4.882 4.882
13 2HB CYS 3 1HB CYS 3 -0.896 5.773 5.773
14 H SER 4 H SER 4 -3.898 4.440 4.440
15 HA SER 4 HA SER 4 -4.490 3.874 3.874
16 1HB SER 4 2HB SER 4 -5.141 6.138 6.138
17 2HB SER 4 1HB SER 4 -6.408 5.224 5.224
18 HG SER 4 HG SER 4 -7.133 4.518 4.518
19 H ASN 5 H ASN 5 -4.434 2.430 2.430
20 HA ASN 5 HA ASN 5 -6.956 0.890 0.890
21 1HB ASN 5 2HB ASN 5 -4.407 1.164 1.164
22 2HB ASN 5 1HB ASN 5 -5.181 -0.328 -0.328
23 1HD2 ASN 5 1HD2 ASN 5 -5.460 0.168 0.168
24 2HD2 ASN 5 2HD2 ASN 5 -6.638 1.258 1.258
25 HA PRO 6 HA PRO 6 -5.307 -2.303 -2.303
26 1HB PRO 6 2HB PRO 6 -6.523 -4.520 -4.520
27 2HB PRO 6 1HB PRO 6 -7.288 -3.246 -3.246
28 1HG PRO 6 2HG PRO 6 -7.481 -3.873 -3.873
29 2HG PRO 6 1HG PRO 6 -8.596 -2.976 -2.976
30 1HD PRO 6 2HD PRO 6 -6.773 -1.725 -1.725
31 2HD PRO 6 1HD PRO 6 -7.863 -1.011 -1.011
32 H VAL 7 H VAL 7 -5.693 -3.637 -3.637
33 HA VAL 7 HA VAL 7 -3.477 -5.362 -5.362
34 HB VAL 7 HB VAL 7 -4.987 -4.380 -4.380
35 1HG1 VAL 7 1HG1 VAL 7 -2.918 -6.565 -6.565
36 2HG1 VAL 7 3HG1 VAL 7 -4.202 -6.797 -6.797
37 3HG1 VAL 7 2HG1 VAL 7 -3.111 -5.437 -5.437
38 1HG2 VAL 7 1HG2 VAL 7 -5.307 -6.686 -6.686
39 2HG2 VAL 7 3HG2 VAL 7 -6.422 -5.348 -5.348
40 3HG2 VAL 7 2HG2 VAL 7 -6.164 -6.554 -6.554
41 H CYS 8 H CYS 8 -4.037 -2.331 -2.331
42 HA CYS 8 HA CYS 8 -1.460 -2.146 -2.146
43 1HB CYS 8 2HB CYS 8 -3.870 -1.001 -1.001
44 2HB CYS 8 1HB CYS 8 -3.084 0.202 0.202
45 H HIS 9 H HIS 9 -2.691 -1.632 -1.632
46 HA HIS 9 HA HIS 9 -0.385 0.088 0.088
47 1HB HIS 9 2HB HIS 9 -2.499 0.549 0.549
48 2HB HIS 9 1HB HIS 9 -2.689 -1.148 -1.148
49 HD1 HIS 9 HD1 HIS 9 0.529 0.516 0.516
50 HD2 HIS 9 HD2 HIS 9 -2.908 -0.382 -0.382
51 HE1 HIS 9 HE1 HIS 9 1.016 0.845 0.845
52 H LEU 10 H LEU 10 -1.467 -3.185 -3.185
53 HA LEU 10 HA LEU 10 0.204 -4.332 -4.332
54 1HB LEU 10 2HB LEU 10 -1.894 -5.058 -5.058
55 2HB LEU 10 1HB LEU 10 -0.616 -5.781 -5.781
56 HG LEU 10 HG LEU 10 -1.619 -7.284 -7.284
57 1HD1 LEU 10 3HD1 LEU 10 0.918 -7.336 -7.336
58 2HD1 LEU 10 2HD1 LEU 10 1.060 -6.435 -6.435
59 3HD1 LEU 10 1HD1 LEU 10 0.366 -8.051 -8.051
60 1HD2 LEU 10 2HD2 LEU 10 -2.351 -5.261 -5.261
61 2HD2 LEU 10 1HD2 LEU 10 -2.025 -6.787 -6.787
62 3HD2 LEU 10 3HD2 LEU 10 -0.831 -5.500 -5.500
63 H GLU 11 H GLU 11 0.238 -4.023 -4.023
64 HA GLU 11 HA GLU 11 2.865 -4.897 -4.897
65 1HB GLU 11 2HB GLU 11 0.985 -3.172 -3.172
66 2HB GLU 11 1HB GLU 11 2.492 -3.806 -3.806
67 1HG GLU 11 2HG GLU 11 1.718 -6.093 -6.093
68 2HG GLU 11 1HG GLU 11 0.311 -5.588 -5.588
69 H HIS 12 H HIS 12 1.429 -1.662 -1.662
70 HA HIS 12 HA HIS 12 4.101 -0.388 -0.388
71 1HB HIS 12 2HB HIS 12 1.605 1.224 1.224
72 2HB HIS 12 1HB HIS 12 3.271 1.385 1.385
73 HD1 HIS 12 HD1 HIS 12 2.172 -1.772 -1.772
74 HD2 HIS 12 HD2 HIS 12 2.253 2.047 2.047
75 HE1 HIS 12 HE1 HIS 12 1.872 -1.928 -1.928
76 H SER 13 H SER 13 3.860 -1.408 -1.408
77 HA SER 13 HA SER 13 2.393 0.159 0.159
78 1HB SER 13 2HB SER 13 2.637 -2.477 -2.477
79 2HB SER 13 1HB SER 13 4.282 -2.154 -2.154
80 HG SER 13 HG SER 13 1.857 -1.196 -1.196
81 H ASN 14 H ASN 14 4.666 0.884 0.884
82 HA ASN 14 HA ASN 14 6.904 1.505 1.505
83 1HB ASN 14 2HB ASN 14 7.431 0.455 0.455
84 2HB ASN 14 1HB ASN 14 6.309 1.451 1.451
85 1HD2 ASN 14 1HD2 ASN 14 6.917 3.773 3.773
86 2HD2 ASN 14 2HD2 ASN 14 8.549 4.239 4.239
87 H LEU 15 H LEU 15 5.100 2.936 2.936
88 HA LEU 15 HA LEU 15 5.377 5.629 5.629
89 1HB LEU 15 2HB LEU 15 2.810 5.449 5.449
90 2HB LEU 15 1HB LEU 15 4.292 5.483 5.483
91 HG LEU 15 HG LEU 15 3.385 2.937 2.937
92 1HD1 LEU 15 3HD1 LEU 15 1.917 4.780 4.780
93 2HD1 LEU 15 2HD1 LEU 15 2.237 3.228 3.228
94 3HD1 LEU 15 1HD1 LEU 15 1.352 3.319 3.319
95 1HD2 LEU 15 1HD2 LEU 15 5.527 3.938 3.938
96 2HD2 LEU 15 3HD2 LEU 15 5.054 2.265 2.265
97 3HD2 LEU 15 2HD2 LEU 15 4.419 3.243 3.243
98 H CYS 16 H CYS 16 2.733 3.449 3.449
99 HA CYS 16 HA CYS 16 1.694 5.353 5.353
100 1HB CYS 16 2HB CYS 16 0.577 3.745 3.745
101 2HB CYS 16 1HB CYS 16 0.398 2.768 2.768
102 1HN NH2 17 1HN NH2 17 3.215 2.207 2.207
103 2HN NH2 17 2HN NH2 17 3.323 1.930 1.930
Start of MODEL 4
1 1H GLY 1 2H GLY 1 -6.842 5.617 5.617
2 2H GLY 1 1H GLY 1 -5.508 6.416 6.416
3 3H GLY 1 3H GLY 1 -6.530 7.240 7.240
4 1HA GLY 1 1HA GLY 1 -5.865 5.787 5.787
5 2HA GLY 1 2HA GLY 1 -4.481 6.619 6.619
6 H CYS 2 H CYS 2 -3.348 4.846 4.846
7 HA CYS 2 HA CYS 2 -3.532 2.159 2.159
8 1HB CYS 2 2HB CYS 2 -1.995 3.390 3.390
9 2HB CYS 2 1HB CYS 2 -0.943 3.657 3.657
10 H CYS 3 H CYS 3 -2.011 4.659 4.659
11 HA CYS 3 HA CYS 3 -0.861 2.921 2.921
12 1HB CYS 3 2HB CYS 3 0.360 4.873 4.873
13 2HB CYS 3 1HB CYS 3 -0.890 5.771 5.771
14 H SER 4 H SER 4 -3.902 4.443 4.443
15 HA SER 4 HA SER 4 -4.485 3.887 3.887
16 1HB SER 4 2HB SER 4 -5.142 6.147 6.147
17 2HB SER 4 1HB SER 4 -6.389 5.238 5.238
18 HG SER 4 HG SER 4 -6.009 5.334 5.334
19 H ASN 5 H ASN 5 -4.443 2.436 2.436
20 HA ASN 5 HA ASN 5 -6.964 0.891 0.891
21 1HB ASN 5 2HB ASN 5 -4.425 1.165 1.165
22 2HB ASN 5 1HB ASN 5 -5.197 -0.329 -0.329
23 1HD2 ASN 5 1HD2 ASN 5 -5.482 0.164 0.164
24 2HD2 ASN 5 2HD2 ASN 5 -6.667 1.246 1.246
25 HA PRO 6 HA PRO 6 -5.289 -2.290 -2.290
26 1HB PRO 6 2HB PRO 6 -6.504 -4.513 -4.513
27 2HB PRO 6 1HB PRO 6 -7.268 -3.235 -3.235
28 1HG PRO 6 2HG PRO 6 -7.469 -3.878 -3.878
29 2HG PRO 6 1HG PRO 6 -8.585 -2.984 -2.984
30 1HD PRO 6 2HD PRO 6 -6.783 -1.727 -1.727
31 2HD PRO 6 1HD PRO 6 -7.867 -1.016 -1.016
32 H VAL 7 H VAL 7 -5.689 -3.634 -3.634
33 HA VAL 7 HA VAL 7 -3.472 -5.356 -5.356
34 HB VAL 7 HB VAL 7 -4.994 -4.379 -4.379
35 1HG1 VAL 7 3HG1 VAL 7 -2.894 -6.535 -6.535
36 2HG1 VAL 7 2HG1 VAL 7 -4.199 -6.812 -6.812
37 3HG1 VAL 7 1HG1 VAL 7 -3.140 -5.434 -5.434
38 1HG2 VAL 7 2HG2 VAL 7 -5.292 -6.690 -6.690
39 2HG2 VAL 7 1HG2 VAL 7 -6.414 -5.356 -5.356
40 3HG2 VAL 7 3HG2 VAL 7 -6.160 -6.558 -6.558
41 H CYS 8 H CYS 8 -4.041 -2.330 -2.330
42 HA CYS 8 HA CYS 8 -1.469 -2.142 -2.142
43 1HB CYS 8 2HB CYS 8 -3.884 -1.002 -1.002
44 2HB CYS 8 1HB CYS 8 -3.097 0.205 0.205
45 H HIS 9 H HIS 9 -2.686 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.375 0.091 0.091
47 1HB HIS 9 2HB HIS 9 -2.490 0.558 0.558
48 2HB HIS 9 1HB HIS 9 -2.678 -1.138 -1.138
49 HD1 HIS 9 HD1 HIS 9 0.550 0.491 0.491
50 HD2 HIS 9 HD2 HIS 9 -2.918 -0.319 -0.319
51 HE1 HIS 9 HE1 HIS 9 1.024 0.841 0.841
52 H LEU 10 H LEU 10 -1.460 -3.177 -3.177
53 HA LEU 10 HA LEU 10 0.204 -4.331 -4.331
54 1HB LEU 10 2HB LEU 10 -1.891 -5.050 -5.050
55 2HB LEU 10 1HB LEU 10 -0.614 -5.774 -5.774
56 HG LEU 10 HG LEU 10 -1.612 -7.284 -7.284
57 1HD1 LEU 10 1HD1 LEU 10 0.937 -7.305 -7.305
58 2HD1 LEU 10 3HD1 LEU 10 1.038 -6.425 -6.425
59 3HD1 LEU 10 2HD1 LEU 10 0.359 -8.047 -8.047
60 1HD2 LEU 10 2HD2 LEU 10 -2.403 -5.297 -5.297
61 2HD2 LEU 10 1HD2 LEU 10 -2.020 -6.800 -6.800
62 3HD2 LEU 10 3HD2 LEU 10 -0.875 -5.467 -5.467
63 H GLU 11 H GLU 11 0.247 -4.015 -4.015
64 HA GLU 11 HA GLU 11 2.869 -4.899 -4.899
65 1HB GLU 11 2HB GLU 11 1.023 -3.129 -3.129
66 2HB GLU 11 1HB GLU 11 2.523 -3.788 -3.788
67 1HG GLU 11 2HG GLU 11 1.712 -6.059 -6.059
68 2HG GLU 11 1HG GLU 11 0.315 -5.553 -5.553
69 H HIS 12 H HIS 12 1.454 -1.652 -1.652
70 HA HIS 12 HA HIS 12 4.125 -0.392 -0.392
71 1HB HIS 12 2HB HIS 12 1.636 1.219 1.219
72 2HB HIS 12 1HB HIS 12 3.303 1.394 1.394
73 HD1 HIS 12 HD1 HIS 12 2.385 -1.784 -1.784
74 HD2 HIS 12 HD2 HIS 12 2.099 2.049 2.049
75 HE1 HIS 12 HE1 HIS 12 2.032 -1.929 -1.929
76 H SER 13 H SER 13 3.872 -1.414 -1.414
77 HA SER 13 HA SER 13 2.393 0.146 0.146
78 1HB SER 13 2HB SER 13 2.640 -2.490 -2.490
79 2HB SER 13 1HB SER 13 4.281 -2.166 -2.166
80 HG SER 13 HG SER 13 1.848 -1.210 -1.210
81 H ASN 14 H ASN 14 4.677 0.877 0.877
82 HA ASN 14 HA ASN 14 6.903 1.493 1.493
83 1HB ASN 14 2HB ASN 14 7.441 0.445 0.445
84 2HB ASN 14 1HB ASN 14 6.332 1.449 1.449
85 1HD2 ASN 14 1HD2 ASN 14 6.952 3.778 3.778
86 2HD2 ASN 14 2HD2 ASN 14 8.587 4.232 4.232
87 H LEU 15 H LEU 15 5.125 2.933 2.933
88 HA LEU 15 HA LEU 15 5.397 5.624 5.624
89 1HB LEU 15 2HB LEU 15 2.835 5.446 5.446
90 2HB LEU 15 1HB LEU 15 4.319 5.480 5.480
91 HG LEU 15 HG LEU 15 3.408 2.934 2.934
92 1HD1 LEU 15 2HD1 LEU 15 1.940 4.779 4.779
93 2HD1 LEU 15 1HD1 LEU 15 2.274 3.236 3.236
94 3HD1 LEU 15 3HD1 LEU 15 1.381 3.307 3.307
95 1HD2 LEU 15 3HD2 LEU 15 5.559 3.937 3.937
96 2HD2 LEU 15 2HD2 LEU 15 5.084 2.264 2.264
97 3HD2 LEU 15 1HD2 LEU 15 4.456 3.242 3.242
98 H CYS 16 H CYS 16 2.741 3.448 3.448
99 HA CYS 16 HA CYS 16 1.698 5.347 5.347
100 1HB CYS 16 2HB CYS 16 0.587 3.748 3.748
101 2HB CYS 16 1HB CYS 16 0.400 2.767 2.767
102 1HN NH2 17 1HN NH2 17 3.214 2.199 2.199
103 2HN NH2 17 2HN NH2 17 3.311 1.916 1.916
Start of MODEL 5
1 1H GLY 1 1H GLY 1 -6.847 5.612 5.612
2 2H GLY 1 3H GLY 1 -5.513 6.414 6.414
3 3H GLY 1 2H GLY 1 -6.540 7.235 7.235
4 1HA GLY 1 1HA GLY 1 -5.876 5.782 5.782
5 2HA GLY 1 2HA GLY 1 -4.493 6.617 6.617
6 H CYS 2 H CYS 2 -3.358 4.844 4.844
7 HA CYS 2 HA CYS 2 -3.537 2.158 2.158
8 1HB CYS 2 2HB CYS 2 -2.005 3.389 3.389
9 2HB CYS 2 1HB CYS 2 -0.951 3.659 3.659
10 H CYS 3 H CYS 3 -2.013 4.658 4.658
11 HA CYS 3 HA CYS 3 -0.861 2.921 2.921
12 1HB CYS 3 2HB CYS 3 0.362 4.871 4.871
13 2HB CYS 3 1HB CYS 3 -0.885 5.768 5.768
14 H SER 4 H SER 4 -3.902 4.441 4.441
15 HA SER 4 HA SER 4 -4.483 3.889 3.889
16 1HB SER 4 2HB SER 4 -5.139 6.148 6.148
17 2HB SER 4 1HB SER 4 -6.390 5.236 5.236
18 HG SER 4 HG SER 4 -7.203 4.560 4.560
19 H ASN 5 H ASN 5 -4.444 2.435 2.435
20 HA ASN 5 HA ASN 5 -6.965 0.890 0.890
21 1HB ASN 5 2HB ASN 5 -4.428 1.163 1.163
22 2HB ASN 5 1HB ASN 5 -5.200 -0.332 -0.332
23 1HD2 ASN 5 1HD2 ASN 5 -5.484 0.162 0.162
24 2HD2 ASN 5 2HD2 ASN 5 -6.670 1.243 1.243
25 HA PRO 6 HA PRO 6 -5.288 -2.291 -2.291
26 1HB PRO 6 2HB PRO 6 -6.502 -4.514 -4.514
27 2HB PRO 6 1HB PRO 6 -7.266 -3.237 -3.237
28 1HG PRO 6 2HG PRO 6 -7.468 -3.880 -3.880
29 2HG PRO 6 1HG PRO 6 -8.584 -2.988 -2.988
30 1HD PRO 6 2HD PRO 6 -6.783 -1.729 -1.729
31 2HD PRO 6 1HD PRO 6 -7.867 -1.018 -1.018
32 H VAL 7 H VAL 7 -5.689 -3.635 -3.635
33 HA VAL 7 HA VAL 7 -3.469 -5.356 -5.356
34 HB VAL 7 HB VAL 7 -4.995 -4.382 -4.382
35 1HG1 VAL 7 3HG1 VAL 7 -2.889 -6.532 -6.532
36 2HG1 VAL 7 2HG1 VAL 7 -4.197 -6.818 -6.818
37 3HG1 VAL 7 1HG1 VAL 7 -3.145 -5.437 -5.437
38 1HG2 VAL 7 2HG2 VAL 7 -5.290 -6.690 -6.690
39 2HG2 VAL 7 1HG2 VAL 7 -6.413 -5.358 -5.358
40 3HG2 VAL 7 3HG2 VAL 7 -6.161 -6.559 -6.559
41 H CYS 8 H CYS 8 -4.042 -2.332 -2.332
42 HA CYS 8 HA CYS 8 -1.470 -2.143 -2.143
43 1HB CYS 8 2HB CYS 8 -3.887 -1.004 -1.004
44 2HB CYS 8 1HB CYS 8 -3.100 0.204 0.204
45 H HIS 9 H HIS 9 -2.687 -1.623 -1.623
46 HA HIS 9 HA HIS 9 -0.376 0.095 0.095
47 1HB HIS 9 2HB HIS 9 -2.491 0.559 0.559
48 2HB HIS 9 1HB HIS 9 -2.679 -1.137 -1.137
49 HD1 HIS 9 HD1 HIS 9 0.545 0.505 0.505
50 HD2 HIS 9 HD2 HIS 9 -2.915 -0.334 -0.334
51 HE1 HIS 9 HE1 HIS 9 1.020 0.850 0.850
52 H LEU 10 H LEU 10 -1.460 -3.175 -3.175
53 HA LEU 10 HA LEU 10 0.205 -4.327 -4.327
54 1HB LEU 10 2HB LEU 10 -1.890 -5.049 -5.049
55 2HB LEU 10 1HB LEU 10 -0.612 -5.771 -5.771
56 HG LEU 10 HG LEU 10 -1.610 -7.281 -7.281
57 1HD1 LEU 10 3HD1 LEU 10 0.935 -7.308 -7.308
58 2HD1 LEU 10 2HD1 LEU 10 1.045 -6.421 -6.421
59 3HD1 LEU 10 1HD1 LEU 10 0.362 -8.042 -8.042
60 1HD2 LEU 10 1HD2 LEU 10 -2.396 -5.290 -5.290
61 2HD2 LEU 10 3HD2 LEU 10 -2.018 -6.795 -6.795
62 3HD2 LEU 10 2HD2 LEU 10 -0.869 -5.467 -5.467
63 H GLU 11 H GLU 11 0.247 -4.014 -4.014
64 HA GLU 11 HA GLU 11 2.870 -4.896 -4.896
65 1HB GLU 11 2HB GLU 11 1.021 -3.131 -3.131
66 2HB GLU 11 1HB GLU 11 2.520 -3.787 -3.787
67 1HG GLU 11 2HG GLU 11 1.713 -6.060 -6.060
68 2HG GLU 11 1HG GLU 11 0.316 -5.554 -5.554
69 H HIS 12 H HIS 12 1.453 -1.651 -1.651
70 HA HIS 12 HA HIS 12 4.125 -0.391 -0.391
71 1HB HIS 12 2HB HIS 12 1.637 1.223 1.223
72 2HB HIS 12 1HB HIS 12 3.303 1.393 1.393
73 HD1 HIS 12 HD1 HIS 12 2.373 -1.782 -1.782
74 HD2 HIS 12 HD2 HIS 12 2.096 2.051 2.051
75 HE1 HIS 12 HE1 HIS 12 2.012 -1.927 -1.927
76 H SER 13 H SER 13 3.868 -1.415 -1.415
77 HA SER 13 HA SER 13 2.392 0.150 0.150
78 1HB SER 13 2HB SER 13 2.630 -2.487 -2.487
79 2HB SER 13 1HB SER 13 4.271 -2.168 -2.168
80 HG SER 13 HG SER 13 1.843 -1.203 -1.203
81 H ASN 14 H ASN 14 4.679 0.874 0.874
82 HA ASN 14 HA ASN 14 6.903 1.486 1.486
83 1HB ASN 14 2HB ASN 14 7.437 0.434 0.434
84 2HB ASN 14 1HB ASN 14 6.337 1.445 1.445
85 1HD2 ASN 14 1HD2 ASN 14 6.971 3.774 3.774
86 2HD2 ASN 14 2HD2 ASN 14 8.609 4.218 4.218
87 H LEU 15 H LEU 15 5.129 2.928 2.928
88 HA LEU 15 HA LEU 15 5.408 5.618 5.618
89 1HB LEU 15 2HB LEU 15 2.847 5.448 5.448
90 2HB LEU 15 1HB LEU 15 4.333 5.477 5.477
91 HG LEU 15 HG LEU 15 3.411 2.934 2.934
92 1HD1 LEU 15 2HD1 LEU 15 1.954 4.782 4.782
93 2HD1 LEU 15 1HD1 LEU 15 2.286 3.240 3.240
94 3HD1 LEU 15 3HD1 LEU 15 1.389 3.310 3.310
95 1HD2 LEU 15 1HD2 LEU 15 5.572 3.922 3.922
96 2HD2 LEU 15 3HD2 LEU 15 5.083 2.254 2.254
97 3HD2 LEU 15 2HD2 LEU 15 4.469 3.241 3.241
98 H CYS 16 H CYS 16 2.743 3.451 3.451
99 HA CYS 16 HA CYS 16 1.702 5.351 5.351
100 1HB CYS 16 2HB CYS 16 0.590 3.750 3.750
101 2HB CYS 16 1HB CYS 16 0.402 2.771 2.771
102 1HN NH2 17 1HN NH2 17 3.213 2.199 2.199
103 2HN NH2 17 2HN NH2 17 3.307 1.919 1.919
Start of MODEL 6
1 1H GLY 1 2H GLY 1 -5.505 6.413 6.413
2 2H GLY 1 1H GLY 1 -6.526 7.240 7.240
3 3H GLY 1 3H GLY 1 -6.839 5.617 5.617
4 1HA GLY 1 1HA GLY 1 -5.862 5.787 5.787
5 2HA GLY 1 2HA GLY 1 -4.477 6.618 6.618
6 H CYS 2 H CYS 2 -3.343 4.846 4.846
7 HA CYS 2 HA CYS 2 -3.529 2.159 2.159
8 1HB CYS 2 2HB CYS 2 -1.990 3.389 3.389
9 2HB CYS 2 1HB CYS 2 -0.939 3.655 3.655
10 H CYS 3 H CYS 3 -2.010 4.659 4.659
11 HA CYS 3 HA CYS 3 -0.861 2.921 2.921
12 1HB CYS 3 2HB CYS 3 0.362 4.872 4.872
13 2HB CYS 3 1HB CYS 3 -0.887 5.770 5.770
14 H SER 4 H SER 4 -3.900 4.446 4.446
15 HA SER 4 HA SER 4 -4.487 3.894 3.894
16 1HB SER 4 2HB SER 4 -5.141 6.151 6.151
17 2HB SER 4 1HB SER 4 -6.395 5.236 5.236
18 HG SER 4 HG SER 4 -7.192 4.562 4.562
19 H ASN 5 H ASN 5 -4.444 2.439 2.439
20 HA ASN 5 HA ASN 5 -6.963 0.892 0.892
21 1HB ASN 5 2HB ASN 5 -4.425 1.167 1.167
22 2HB ASN 5 1HB ASN 5 -5.196 -0.327 -0.327
23 1HD2 ASN 5 1HD2 ASN 5 -5.492 0.159 0.159
24 2HD2 ASN 5 2HD2 ASN 5 -6.676 1.242 1.242
25 HA PRO 6 HA PRO 6 -5.286 -2.287 -2.287
26 1HB PRO 6 2HB PRO 6 -6.501 -4.510 -4.510
27 2HB PRO 6 1HB PRO 6 -7.264 -3.231 -3.231
28 1HG PRO 6 2HG PRO 6 -7.469 -3.875 -3.875
29 2HG PRO 6 1HG PRO 6 -8.583 -2.980 -2.980
30 1HD PRO 6 2HD PRO 6 -6.782 -1.726 -1.726
31 2HD PRO 6 1HD PRO 6 -7.865 -1.013 -1.013
32 H VAL 7 H VAL 7 -5.689 -3.631 -3.631
33 HA VAL 7 HA VAL 7 -3.473 -5.355 -5.355
34 HB VAL 7 HB VAL 7 -4.998 -4.377 -4.377
35 1HG1 VAL 7 3HG1 VAL 7 -2.900 -6.537 -6.537
36 2HG1 VAL 7 2HG1 VAL 7 -4.204 -6.808 -6.808
37 3HG1 VAL 7 1HG1 VAL 7 -3.143 -5.430 -5.430
38 1HG2 VAL 7 2HG2 VAL 7 -5.293 -6.687 -6.687
39 2HG2 VAL 7 1HG2 VAL 7 -6.415 -5.354 -5.354
40 3HG2 VAL 7 3HG2 VAL 7 -6.164 -6.555 -6.555
41 H CYS 8 H CYS 8 -4.043 -2.328 -2.328
42 HA CYS 8 HA CYS 8 -1.471 -2.142 -2.142
43 1HB CYS 8 2HB CYS 8 -3.885 -1.000 -1.000
44 2HB CYS 8 1HB CYS 8 -3.095 0.206 0.206
45 H HIS 9 H HIS 9 -2.685 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.371 0.090 0.090
47 1HB HIS 9 2HB HIS 9 -2.484 0.558 0.558
48 2HB HIS 9 1HB HIS 9 -2.676 -1.138 -1.138
49 HD1 HIS 9 HD1 HIS 9 0.555 0.487 0.487
50 HD2 HIS 9 HD2 HIS 9 -2.908 -0.329 -0.329
51 HE1 HIS 9 HE1 HIS 9 1.036 0.830 0.830
52 H LEU 10 H LEU 10 -1.460 -3.179 -3.179
53 HA LEU 10 HA LEU 10 0.204 -4.335 -4.335
54 1HB LEU 10 2HB LEU 10 -1.893 -5.052 -5.052
55 2HB LEU 10 1HB LEU 10 -0.615 -5.775 -5.775
56 HG LEU 10 HG LEU 10 -1.613 -7.286 -7.286
57 1HD1 LEU 10 3HD1 LEU 10 0.936 -7.307 -7.307
58 2HD1 LEU 10 2HD1 LEU 10 1.040 -6.432 -6.432
59 3HD1 LEU 10 1HD1 LEU 10 0.360 -8.053 -8.053
60 1HD2 LEU 10 2HD2 LEU 10 -2.399 -5.299 -5.299
61 2HD2 LEU 10 1HD2 LEU 10 -2.020 -6.804 -6.804
62 3HD2 LEU 10 3HD2 LEU 10 -0.871 -5.476 -5.476
63 H GLU 11 H GLU 11 0.246 -4.015 -4.015
64 HA GLU 11 HA GLU 11 2.868 -4.900 -4.900
65 1HB GLU 11 2HB GLU 11 1.022 -3.129 -3.129
66 2HB GLU 11 1HB GLU 11 2.520 -3.788 -3.788
67 1HG GLU 11 2HG GLU 11 1.709 -6.058 -6.058
68 2HG GLU 11 1HG GLU 11 0.312 -5.552 -5.552
69 H HIS 12 H HIS 12 1.452 -1.653 -1.653
70 HA HIS 12 HA HIS 12 4.124 -0.391 -0.391
71 1HB HIS 12 2HB HIS 12 1.632 1.218 1.218
72 2HB HIS 12 1HB HIS 12 3.298 1.394 1.394
73 HD1 HIS 12 HD1 HIS 12 2.380 -1.784 -1.784
74 HD2 HIS 12 HD2 HIS 12 2.103 2.049 2.049
75 HE1 HIS 12 HE1 HIS 12 2.030 -1.929 -1.929
76 H SER 13 H SER 13 3.875 -1.414 -1.414
77 HA SER 13 HA SER 13 2.396 0.145 0.145
78 1HB SER 13 2HB SER 13 2.648 -2.493 -2.493
79 2HB SER 13 1HB SER 13 4.287 -2.165 -2.165
80 HG SER 13 HG SER 13 3.303 -0.756 -0.756
81 H ASN 14 H ASN 14 4.674 0.879 0.879
82 HA ASN 14 HA ASN 14 6.904 1.498 1.498
83 1HB ASN 14 2HB ASN 14 7.472 0.470 0.470
84 2HB ASN 14 1HB ASN 14 6.315 1.418 1.418
85 1HD2 ASN 14 1HD2 ASN 14 9.498 1.577 1.577
86 2HD2 ASN 14 2HD2 ASN 14 10.013 3.001 3.001
87 H LEU 15 H LEU 15 5.123 2.938 2.938
88 HA LEU 15 HA LEU 15 5.389 5.629 5.629
89 1HB LEU 15 2HB LEU 15 2.827 5.446 5.446
90 2HB LEU 15 1HB LEU 15 4.311 5.482 5.482
91 HG LEU 15 HG LEU 15 3.396 2.938 2.938
92 1HD1 LEU 15 2HD1 LEU 15 1.945 4.779 4.779
93 2HD1 LEU 15 1HD1 LEU 15 2.286 3.237 3.237
94 3HD1 LEU 15 3HD1 LEU 15 1.380 3.307 3.307
95 1HD2 LEU 15 1HD2 LEU 15 5.571 3.916 3.916
96 2HD2 LEU 15 3HD2 LEU 15 5.069 2.250 2.250
97 3HD2 LEU 15 2HD2 LEU 15 4.477 3.259 3.259
98 H CYS 16 H CYS 16 2.739 3.447 3.447
99 HA CYS 16 HA CYS 16 1.696 5.345 5.345
100 1HB CYS 16 2HB CYS 16 0.584 3.747 3.747
101 2HB CYS 16 1HB CYS 16 0.396 2.765 2.765
102 1HN NH2 17 1HN NH2 17 3.218 2.200 2.200
103 2HN NH2 17 2HN NH2 17 3.313 1.912 1.912
Start of MODEL 7
1 1H GLY 1 3H GLY 1 -5.360 6.453 6.453
2 2H GLY 1 2H GLY 1 -6.354 7.294 7.294
3 3H GLY 1 1H GLY 1 -6.710 5.683 5.683
4 1HA GLY 1 1HA GLY 1 -5.716 5.804 5.804
5 2HA GLY 1 2HA GLY 1 -4.318 6.611 6.611
6 H CYS 2 H CYS 2 -3.203 4.824 4.824
7 HA CYS 2 HA CYS 2 -3.445 2.141 2.141
8 1HB CYS 2 2HB CYS 2 -1.854 3.354 3.354
9 2HB CYS 2 1HB CYS 2 -0.823 3.593 3.593
10 H CYS 3 H CYS 3 -1.969 4.627 4.627
11 HA CYS 3 HA CYS 3 -0.853 2.913 2.913
12 1HB CYS 3 2HB CYS 3 0.352 4.883 4.883
13 2HB CYS 3 1HB CYS 3 -0.914 5.766 5.766
14 H SER 4 H SER 4 -3.890 4.444 4.444
15 HA SER 4 HA SER 4 -4.513 3.879 3.879
16 1HB SER 4 2HB SER 4 -5.151 6.144 6.144
17 2HB SER 4 1HB SER 4 -6.362 5.248 5.248
18 HG SER 4 HG SER 4 -6.095 5.254 5.254
19 H ASN 5 H ASN 5 -4.432 2.431 2.431
20 HA ASN 5 HA ASN 5 -6.953 0.890 0.890
21 1HB ASN 5 2HB ASN 5 -4.394 1.171 1.171
22 2HB ASN 5 1HB ASN 5 -5.164 -0.325 -0.325
23 1HD2 ASN 5 1HD2 ASN 5 -5.485 0.133 0.133
24 2HD2 ASN 5 2HD2 ASN 5 -6.644 1.240 1.240
25 HA PRO 6 HA PRO 6 -5.325 -2.308 -2.308
26 1HB PRO 6 2HB PRO 6 -6.539 -4.520 -4.520
27 2HB PRO 6 1HB PRO 6 -7.306 -3.241 -3.241
28 1HG PRO 6 2HG PRO 6 -7.484 -3.873 -3.873
29 2HG PRO 6 1HG PRO 6 -8.604 -2.973 -2.973
30 1HD PRO 6 2HD PRO 6 -6.766 -1.728 -1.728
31 2HD PRO 6 1HD PRO 6 -7.861 -1.009 -1.009
32 H VAL 7 H VAL 7 -5.696 -3.634 -3.634
33 HA VAL 7 HA VAL 7 -3.488 -5.371 -5.371
34 HB VAL 7 HB VAL 7 -4.999 -4.371 -4.371
35 1HG1 VAL 7 3HG1 VAL 7 -2.877 -6.499 -6.499
36 2HG1 VAL 7 2HG1 VAL 7 -4.202 -6.826 -6.826
37 3HG1 VAL 7 1HG1 VAL 7 -3.183 -5.426 -5.426
38 1HG2 VAL 7 1HG2 VAL 7 -5.311 -6.692 -6.692
39 2HG2 VAL 7 3HG2 VAL 7 -6.430 -5.355 -5.355
40 3HG2 VAL 7 2HG2 VAL 7 -6.172 -6.550 -6.550
41 H CYS 8 H CYS 8 -4.037 -2.330 -2.330
42 HA CYS 8 HA CYS 8 -1.450 -2.143 -2.143
43 1HB CYS 8 2HB CYS 8 -3.856 -1.007 -1.007
44 2HB CYS 8 1HB CYS 8 -3.077 0.202 0.202
45 H HIS 9 H HIS 9 -2.698 -1.657 -1.657
46 HA HIS 9 HA HIS 9 -0.412 0.094 0.094
47 1HB HIS 9 2HB HIS 9 -2.508 0.536 0.536
48 2HB HIS 9 1HB HIS 9 -2.705 -1.168 -1.168
49 HD1 HIS 9 HD1 HIS 9 0.506 0.530 0.530
50 HD2 HIS 9 HD2 HIS 9 -2.890 -0.487 -0.487
51 HE1 HIS 9 HE1 HIS 9 1.011 0.816 0.816
52 H LEU 10 H LEU 10 -1.453 -3.193 -3.193
53 HA LEU 10 HA LEU 10 0.253 -4.324 -4.324
54 1HB LEU 10 2HB LEU 10 -1.865 -5.063 -5.063
55 2HB LEU 10 1HB LEU 10 -0.597 -5.779 -5.779
56 HG LEU 10 HG LEU 10 -1.552 -7.295 -7.295
57 1HD1 LEU 10 2HD1 LEU 10 0.986 -7.303 -7.303
58 2HD1 LEU 10 1HD1 LEU 10 1.125 -6.412 -6.412
59 3HD1 LEU 10 3HD1 LEU 10 0.455 -8.038 -8.038
60 1HD2 LEU 10 3HD2 LEU 10 -2.308 -5.296 -5.296
61 2HD2 LEU 10 2HD2 LEU 10 -1.929 -6.810 -6.810
62 3HD2 LEU 10 1HD2 LEU 10 -0.769 -5.491 -5.491
63 H GLU 11 H GLU 11 0.231 -4.049 -4.049
64 HA GLU 11 HA GLU 11 2.857 -4.883 -4.883
65 1HB GLU 11 2HB GLU 11 0.896 -3.205 -3.205
66 2HB GLU 11 1HB GLU 11 2.414 -3.764 -3.764
67 1HG GLU 11 2HG GLU 11 1.724 -6.086 -6.086
68 2HG GLU 11 1HG GLU 11 0.314 -5.622 -5.622
69 H HIS 12 H HIS 12 1.405 -1.664 -1.664
70 HA HIS 12 HA HIS 12 4.077 -0.382 -0.382
71 1HB HIS 12 2HB HIS 12 1.569 1.219 1.219
72 2HB HIS 12 1HB HIS 12 3.231 1.390 1.390
73 HD1 HIS 12 HD1 HIS 12 1.387 -1.545 -1.545
74 HD2 HIS 12 HD2 HIS 12 3.087 1.718 1.718
75 HE1 HIS 12 HE1 HIS 12 1.306 -1.932 -1.932
76 H SER 13 H SER 13 3.854 -1.402 -1.402
77 HA SER 13 HA SER 13 2.392 0.150 0.150
78 1HB SER 13 2HB SER 13 2.655 -2.487 -2.487
79 2HB SER 13 1HB SER 13 4.304 -2.154 -2.154
80 HG SER 13 HG SER 13 3.414 -0.828 -0.828
81 H ASN 14 H ASN 14 4.646 0.893 0.893
82 HA ASN 14 HA ASN 14 6.897 1.527 1.527
83 1HB ASN 14 2HB ASN 14 7.447 0.503 0.503
84 2HB ASN 14 1HB ASN 14 6.262 1.434 1.434
85 1HD2 ASN 14 1HD2 ASN 14 9.484 1.616 1.616
86 2HD2 ASN 14 2HD2 ASN 14 9.961 3.053 3.053
87 H LEU 15 H LEU 15 5.057 2.948 2.948
88 HA LEU 15 HA LEU 15 5.318 5.642 5.642
89 1HB LEU 15 2HB LEU 15 2.743 5.442 5.442
90 2HB LEU 15 1HB LEU 15 4.219 5.498 5.498
91 HG LEU 15 HG LEU 15 3.331 2.942 2.942
92 1HD1 LEU 15 3HD1 LEU 15 1.878 4.782 4.782
93 2HD1 LEU 15 2HD1 LEU 15 2.210 3.230 3.230
94 3HD1 LEU 15 1HD1 LEU 15 1.307 3.319 3.319
95 1HD2 LEU 15 2HD2 LEU 15 5.497 3.941 3.941
96 2HD2 LEU 15 1HD2 LEU 15 5.003 2.271 2.271
97 3HD2 LEU 15 3HD2 LEU 15 4.404 3.288 3.288
98 H CYS 16 H CYS 16 2.703 3.433 3.433
99 HA CYS 16 HA CYS 16 1.671 5.329 5.329
100 1HB CYS 16 2HB CYS 16 0.550 3.721 3.721
101 2HB CYS 16 1HB CYS 16 0.376 2.742 2.742
102 1HN NH2 17 1HN NH2 17 3.222 2.203 2.203
103 2HN NH2 17 2HN NH2 17 3.337 1.916 1.916
Start of MODEL 8
1 1H GLY 1 2H GLY 1 -7.177 5.187 5.187
2 2H GLY 1 1H GLY 1 -6.698 5.837 5.837
3 3H GLY 1 3H GLY 1 -7.046 6.869 6.869
4 1HA GLY 1 1HA GLY 1 -5.191 6.019 6.019
5 2HA GLY 1 2HA GLY 1 -4.661 6.675 6.675
6 H CYS 2 H CYS 2 -3.312 4.871 4.871
7 HA CYS 2 HA CYS 2 -3.480 2.184 2.184
8 1HB CYS 2 2HB CYS 2 -1.952 3.446 3.446
9 2HB CYS 2 1HB CYS 2 -0.901 3.685 3.685
10 H CYS 3 H CYS 3 -2.029 4.696 4.696
11 HA CYS 3 HA CYS 3 -0.844 2.955 2.955
12 1HB CYS 3 2HB CYS 3 0.358 4.911 4.911
13 2HB CYS 3 1HB CYS 3 -0.909 5.808 5.808
14 H SER 4 H SER 4 -3.916 4.468 4.468
15 HA SER 4 HA SER 4 -4.459 3.848 3.848
16 1HB SER 4 2HB SER 4 -6.692 5.143 5.143
17 2HB SER 4 1HB SER 4 -5.207 6.101 6.101
18 HG SER 4 HG SER 4 -5.004 5.623 5.623
19 H ASN 5 H ASN 5 -4.422 2.456 2.456
20 HA ASN 5 HA ASN 5 -6.952 0.930 0.930
21 1HB ASN 5 2HB ASN 5 -4.391 1.201 1.201
22 2HB ASN 5 1HB ASN 5 -5.185 -0.280 -0.280
23 1HD2 ASN 5 1HD2 ASN 5 -5.334 0.337 0.337
24 2HD2 ASN 5 2HD2 ASN 5 -6.539 1.397 1.397
25 HA PRO 6 HA PRO 6 -5.304 -2.293 -2.293
26 1HB PRO 6 2HB PRO 6 -6.527 -4.498 -4.498
27 2HB PRO 6 1HB PRO 6 -7.288 -3.228 -3.228
28 1HG PRO 6 2HG PRO 6 -7.482 -3.835 -3.835
29 2HG PRO 6 1HG PRO 6 -8.597 -2.948 -2.948
30 1HD PRO 6 2HD PRO 6 -6.779 -1.676 -1.676
31 2HD PRO 6 1HD PRO 6 -7.864 -0.974 -0.974
32 H VAL 7 H VAL 7 -5.700 -3.601 -3.601
33 HA VAL 7 HA VAL 7 -3.490 -5.332 -5.332
34 HB VAL 7 HB VAL 7 -5.002 -4.328 -4.328
35 1HG1 VAL 7 1HG1 VAL 7 -2.906 -6.488 -6.488
36 2HG1 VAL 7 3HG1 VAL 7 -4.213 -6.761 -6.761
37 3HG1 VAL 7 2HG1 VAL 7 -3.156 -5.380 -5.380
38 1HG2 VAL 7 3HG2 VAL 7 -5.314 -6.652 -6.652
39 2HG2 VAL 7 2HG2 VAL 7 -6.431 -5.312 -5.312
40 3HG2 VAL 7 1HG2 VAL 7 -6.177 -6.505 -6.505
41 H CYS 8 H CYS 8 -4.044 -2.290 -2.290
42 HA CYS 8 HA CYS 8 -1.469 -2.100 -2.100
43 1HB CYS 8 2HB CYS 8 -3.878 -0.949 -0.949
44 2HB CYS 8 1HB CYS 8 -3.085 0.247 0.247
45 H HIS 9 H HIS 9 -2.688 -1.609 -1.609
46 HA HIS 9 HA HIS 9 -0.373 0.096 0.096
47 1HB HIS 9 2HB HIS 9 -2.490 0.556 0.556
48 2HB HIS 9 1HB HIS 9 -2.678 -1.142 -1.142
49 HD1 HIS 9 HD1 HIS 9 0.554 0.481 0.481
50 HD2 HIS 9 HD2 HIS 9 -2.907 -0.329 -0.329
51 HE1 HIS 9 HE1 HIS 9 1.038 0.824 0.824
52 H LEU 10 H LEU 10 -1.466 -3.170 -3.170
53 HA LEU 10 HA LEU 10 0.199 -4.344 -4.344
54 1HB LEU 10 2HB LEU 10 -1.902 -5.045 -5.045
55 2HB LEU 10 1HB LEU 10 -0.629 -5.765 -5.765
56 HG LEU 10 HG LEU 10 -1.629 -7.285 -7.285
57 1HD1 LEU 10 3HD1 LEU 10 0.918 -7.312 -7.312
58 2HD1 LEU 10 2HD1 LEU 10 1.030 -6.445 -6.445
59 3HD1 LEU 10 1HD1 LEU 10 0.344 -8.064 -8.064
60 1HD2 LEU 10 1HD2 LEU 10 -2.404 -5.302 -5.302
61 2HD2 LEU 10 3HD2 LEU 10 -2.031 -6.816 -6.816
62 3HD2 LEU 10 2HD2 LEU 10 -0.877 -5.494 -5.494
63 H GLU 11 H GLU 11 0.235 -4.003 -4.003
64 HA GLU 11 HA GLU 11 2.855 -4.888 -4.888
65 1HB GLU 11 2HB GLU 11 1.004 -3.113 -3.113
66 2HB GLU 11 1HB GLU 11 2.501 -3.766 -3.766
67 1HG GLU 11 2HG GLU 11 1.694 -6.039 -6.039
68 2HG GLU 11 1HG GLU 11 0.297 -5.537 -5.537
69 H HIS 12 H HIS 12 1.444 -1.641 -1.641
70 HA HIS 12 HA HIS 12 4.120 -0.387 -0.387
71 1HB HIS 12 2HB HIS 12 1.630 1.233 1.233
72 2HB HIS 12 1HB HIS 12 3.296 1.404 1.404
73 HD1 HIS 12 HD1 HIS 12 2.341 -1.763 -1.763
74 HD2 HIS 12 HD2 HIS 12 2.139 2.079 2.079
75 HE1 HIS 12 HE1 HIS 12 2.004 -1.893 -1.893
76 H SER 13 H SER 13 3.874 -1.419 -1.419
77 HA SER 13 HA SER 13 2.410 0.133 0.133
78 1HB SER 13 2HB SER 13 2.649 -2.504 -2.504
79 2HB SER 13 1HB SER 13 4.296 -2.188 -2.188
80 HG SER 13 HG SER 13 1.884 -1.207 -1.207
81 H ASN 14 H ASN 14 4.684 0.869 0.869
82 HA ASN 14 HA ASN 14 6.924 1.471 1.471
83 1HB ASN 14 2HB ASN 14 7.479 0.451 0.451
84 2HB ASN 14 1HB ASN 14 6.320 1.407 1.407
85 1HD2 ASN 14 1HD2 ASN 14 9.518 1.537 1.537
86 2HD2 ASN 14 2HD2 ASN 14 10.031 2.969 2.969
87 H LEU 15 H LEU 15 5.137 2.931 2.931
88 HA LEU 15 HA LEU 15 5.416 5.617 5.617
89 1HB LEU 15 2HB LEU 15 2.846 5.450 5.450
90 2HB LEU 15 1HB LEU 15 4.324 5.485 5.485
91 HG LEU 15 HG LEU 15 3.409 2.939 2.939
92 1HD1 LEU 15 2HD1 LEU 15 1.950 4.794 4.794
93 2HD1 LEU 15 1HD1 LEU 15 2.274 3.251 3.251
94 3HD1 LEU 15 3HD1 LEU 15 1.382 3.325 3.325
95 1HD2 LEU 15 3HD2 LEU 15 5.570 3.927 3.927
96 2HD2 LEU 15 2HD2 LEU 15 5.072 2.260 2.260
97 3HD2 LEU 15 1HD2 LEU 15 4.464 3.268 3.268
98 H CYS 16 H CYS 16 2.763 3.443 3.443
99 HA CYS 16 HA CYS 16 1.736 5.334 5.334
100 1HB CYS 16 2HB CYS 16 0.605 3.750 3.750
101 2HB CYS 16 1HB CYS 16 0.434 2.755 2.755
102 1HN NH2 17 1HN NH2 17 3.238 2.178 2.178
103 2HN NH2 17 2HN NH2 17 3.351 1.890 1.890
Start of MODEL 9
1 1H GLY 1 2H GLY 1 -5.501 6.414 6.414
2 2H GLY 1 1H GLY 1 -6.522 7.239 7.239
3 3H GLY 1 3H GLY 1 -6.835 5.617 5.617
4 1HA GLY 1 1HA GLY 1 -5.859 5.782 5.782
5 2HA GLY 1 2HA GLY 1 -4.475 6.614 6.614
6 H CYS 2 H CYS 2 -3.342 4.839 4.839
7 HA CYS 2 HA CYS 2 -3.527 2.154 2.154
8 1HB CYS 2 2HB CYS 2 -1.991 3.384 3.384
9 2HB CYS 2 1HB CYS 2 -0.938 3.650 3.650
10 H CYS 3 H CYS 3 -2.011 4.656 4.656
11 HA CYS 3 HA CYS 3 -0.859 2.921 2.921
12 1HB CYS 3 2HB CYS 3 0.362 4.873 4.873
13 2HB CYS 3 1HB CYS 3 -0.887 5.769 5.769
14 H SER 4 H SER 4 -3.899 4.442 4.442
15 HA SER 4 HA SER 4 -4.485 3.887 3.887
16 1HB SER 4 2HB SER 4 -5.138 6.147 6.147
17 2HB SER 4 1HB SER 4 -6.387 5.238 5.238
18 HG SER 4 HG SER 4 -7.206 4.560 4.560
19 H ASN 5 H ASN 5 -4.441 2.434 2.434
20 HA ASN 5 HA ASN 5 -6.962 0.891 0.891
21 1HB ASN 5 2HB ASN 5 -4.420 1.163 1.163
22 2HB ASN 5 1HB ASN 5 -5.193 -0.331 -0.331
23 1HD2 ASN 5 1HD2 ASN 5 -5.460 0.176 0.176
24 2HD2 ASN 5 2HD2 ASN 5 -6.647 1.255 1.255
25 HA PRO 6 HA PRO 6 -5.292 -2.291 -2.291
26 1HB PRO 6 2HB PRO 6 -6.508 -4.513 -4.513
27 2HB PRO 6 1HB PRO 6 -7.271 -3.233 -3.233
28 1HG PRO 6 2HG PRO 6 -7.471 -3.877 -3.877
29 2HG PRO 6 1HG PRO 6 -8.587 -2.982 -2.982
30 1HD PRO 6 2HD PRO 6 -6.780 -1.728 -1.728
31 2HD PRO 6 1HD PRO 6 -7.865 -1.015 -1.015
32 H VAL 7 H VAL 7 -5.690 -3.635 -3.635
33 HA VAL 7 HA VAL 7 -3.473 -5.359 -5.359
34 HB VAL 7 HB VAL 7 -4.997 -4.384 -4.384
35 1HG1 VAL 7 2HG1 VAL 7 -2.904 -6.547 -6.547
36 2HG1 VAL 7 1HG1 VAL 7 -4.205 -6.812 -6.812
37 3HG1 VAL 7 3HG1 VAL 7 -3.137 -5.440 -5.440
38 1HG2 VAL 7 1HG2 VAL 7 -5.296 -6.689 -6.689
39 2HG2 VAL 7 3HG2 VAL 7 -6.419 -5.358 -5.358
40 3HG2 VAL 7 2HG2 VAL 7 -6.162 -6.563 -6.563
41 H CYS 8 H CYS 8 -4.043 -2.333 -2.333
42 HA CYS 8 HA CYS 8 -1.471 -2.147 -2.147
43 1HB CYS 8 2HB CYS 8 -3.885 -1.006 -1.006
44 2HB CYS 8 1HB CYS 8 -3.097 0.202 0.202
45 H HIS 9 H HIS 9 -2.688 -1.628 -1.628
46 HA HIS 9 HA HIS 9 -0.379 0.092 0.092
47 1HB HIS 9 2HB HIS 9 -2.492 0.556 0.556
48 2HB HIS 9 1HB HIS 9 -2.682 -1.140 -1.140
49 HD1 HIS 9 HD1 HIS 9 0.545 0.500 0.500
50 HD2 HIS 9 HD2 HIS 9 -2.911 -0.341 -0.341
51 HE1 HIS 9 HE1 HIS 9 1.027 0.842 0.842
52 H LEU 10 H LEU 10 -1.460 -3.179 -3.179
53 HA LEU 10 HA LEU 10 0.212 -4.326 -4.326
54 1HB LEU 10 2HB LEU 10 -1.888 -5.053 -5.053
55 2HB LEU 10 1HB LEU 10 -0.612 -5.775 -5.775
56 HG LEU 10 HG LEU 10 -1.607 -7.281 -7.281
57 1HD1 LEU 10 2HD1 LEU 10 0.934 -7.322 -7.322
58 2HD1 LEU 10 1HD1 LEU 10 1.066 -6.426 -6.426
59 3HD1 LEU 10 3HD1 LEU 10 0.378 -8.045 -8.045
60 1HD2 LEU 10 3HD2 LEU 10 -2.352 -5.267 -5.267
61 2HD2 LEU 10 2HD2 LEU 10 -2.011 -6.790 -6.790
62 3HD2 LEU 10 1HD2 LEU 10 -0.828 -5.491 -5.491
63 H GLU 11 H GLU 11 0.243 -4.019 -4.019
64 HA GLU 11 HA GLU 11 2.868 -4.893 -4.893
65 1HB GLU 11 2HB GLU 11 1.003 -3.143 -3.143
66 2HB GLU 11 1HB GLU 11 2.505 -3.789 -3.789
67 1HG GLU 11 2HG GLU 11 1.713 -6.068 -6.068
68 2HG GLU 11 1HG GLU 11 0.315 -5.566 -5.566
69 H HIS 12 H HIS 12 1.442 -1.653 -1.653
70 HA HIS 12 HA HIS 12 4.114 -0.387 -0.387
71 1HB HIS 12 2HB HIS 12 1.623 1.230 1.230
72 2HB HIS 12 1HB HIS 12 3.289 1.392 1.392
73 HD1 HIS 12 HD1 HIS 12 2.284 -1.775 -1.775
74 HD2 HIS 12 HD2 HIS 12 2.155 2.060 2.060
75 HE1 HIS 12 HE1 HIS 12 1.945 -1.917 -1.917
76 H SER 13 H SER 13 3.865 -1.413 -1.413
77 HA SER 13 HA SER 13 2.394 0.152 0.152
78 1HB SER 13 2HB SER 13 2.635 -2.486 -2.486
79 2HB SER 13 1HB SER 13 4.277 -2.164 -2.164
80 HG SER 13 HG SER 13 3.312 -0.760 -0.760
81 H ASN 14 H ASN 14 4.674 0.878 0.878
82 HA ASN 14 HA ASN 14 6.906 1.489 1.489
83 1HB ASN 14 2HB ASN 14 7.468 0.458 0.458
84 2HB ASN 14 1HB ASN 14 6.316 1.411 1.411
85 1HD2 ASN 14 1HD2 ASN 14 9.515 1.525 1.525
86 2HD2 ASN 14 2HD2 ASN 14 10.030 2.958 2.958
87 H LEU 15 H LEU 15 5.123 2.934 2.934
88 HA LEU 15 HA LEU 15 5.400 5.625 5.625
89 1HB LEU 15 2HB LEU 15 2.839 5.452 5.452
90 2HB LEU 15 1HB LEU 15 4.325 5.479 5.479
91 HG LEU 15 HG LEU 15 3.395 2.942 2.942
92 1HD1 LEU 15 2HD1 LEU 15 1.957 4.787 4.787
93 2HD1 LEU 15 1HD1 LEU 15 2.287 3.241 3.241
94 3HD1 LEU 15 3HD1 LEU 15 1.380 3.321 3.321
95 1HD2 LEU 15 2HD2 LEU 15 5.577 3.901 3.901
96 2HD2 LEU 15 1HD2 LEU 15 5.061 2.239 2.239
97 3HD2 LEU 15 3HD2 LEU 15 4.479 3.253 3.253
98 H CYS 16 H CYS 16 2.739 3.452 3.452
99 HA CYS 16 HA CYS 16 1.699 5.351 5.351
100 1HB CYS 16 2HB CYS 16 0.586 3.750 3.750
101 2HB CYS 16 1HB CYS 16 0.399 2.770 2.770
102 1HN NH2 17 1HN NH2 17 3.213 2.200 2.200
103 2HN NH2 17 2HN NH2 17 3.310 1.920 1.920
Start of MODEL 10
1 1H GLY 1 2H GLY 1 -6.835 5.623 5.623
2 2H GLY 1 1H GLY 1 -5.501 6.419 6.419
3 3H GLY 1 3H GLY 1 -6.522 7.245 7.245
4 1HA GLY 1 1HA GLY 1 -5.859 5.790 5.790
5 2HA GLY 1 2HA GLY 1 -4.474 6.621 6.621
6 H CYS 2 H CYS 2 -3.342 4.846 4.846
7 HA CYS 2 HA CYS 2 -3.529 2.159 2.159
8 1HB CYS 2 2HB CYS 2 -1.990 3.389 3.389
9 2HB CYS 2 1HB CYS 2 -0.938 3.654 3.654
10 H CYS 3 H CYS 3 -2.008 4.658 4.658
11 HA CYS 3 HA CYS 3 -0.862 2.920 2.920
12 1HB CYS 3 2HB CYS 3 0.361 4.872 4.872
13 2HB CYS 3 1HB CYS 3 -0.889 5.769 5.769
14 H SER 4 H SER 4 -3.901 4.443 4.443
15 HA SER 4 HA SER 4 -4.487 3.888 3.888
16 1HB SER 4 2HB SER 4 -5.143 6.148 6.148
17 2HB SER 4 1HB SER 4 -6.390 5.236 5.236
18 HG SER 4 HG SER 4 -7.206 4.554 4.554
19 H ASN 5 H ASN 5 -4.444 2.438 2.438
20 HA ASN 5 HA ASN 5 -6.964 0.891 0.891
21 1HB ASN 5 2HB ASN 5 -4.427 1.166 1.166
22 2HB ASN 5 1HB ASN 5 -5.197 -0.329 -0.329
23 1HD2 ASN 5 1HD2 ASN 5 -5.495 0.156 0.156
24 2HD2 ASN 5 2HD2 ASN 5 -6.677 1.241 1.241
25 HA PRO 6 HA PRO 6 -5.288 -2.288 -2.288
26 1HB PRO 6 2HB PRO 6 -6.502 -4.512 -4.512
27 2HB PRO 6 1HB PRO 6 -7.265 -3.233 -3.233
28 1HG PRO 6 2HG PRO 6 -7.470 -3.877 -3.877
29 2HG PRO 6 1HG PRO 6 -8.585 -2.982 -2.982
30 1HD PRO 6 2HD PRO 6 -6.785 -1.728 -1.728
31 2HD PRO 6 1HD PRO 6 -7.867 -1.014 -1.014
32 H VAL 7 H VAL 7 -5.689 -3.632 -3.632
33 HA VAL 7 HA VAL 7 -3.473 -5.355 -5.355
34 HB VAL 7 HB VAL 7 -4.997 -4.378 -4.378
35 1HG1 VAL 7 3HG1 VAL 7 -2.899 -6.537 -6.537
36 2HG1 VAL 7 2HG1 VAL 7 -4.204 -6.810 -6.810
37 3HG1 VAL 7 1HG1 VAL 7 -3.142 -5.434 -5.434
38 1HG2 VAL 7 1HG2 VAL 7 -5.294 -6.687 -6.687
39 2HG2 VAL 7 3HG2 VAL 7 -6.417 -5.353 -5.353
40 3HG2 VAL 7 2HG2 VAL 7 -6.163 -6.556 -6.556
41 H CYS 8 H CYS 8 -4.043 -2.329 -2.329
42 HA CYS 8 HA CYS 8 -1.471 -2.143 -2.143
43 1HB CYS 8 2HB CYS 8 -3.885 -1.000 -1.000
44 2HB CYS 8 1HB CYS 8 -3.095 0.206 0.206
45 H HIS 9 H HIS 9 -2.684 -1.626 -1.626
46 HA HIS 9 HA HIS 9 -0.372 0.090 0.090
47 1HB HIS 9 2HB HIS 9 -2.483 0.557 0.557
48 2HB HIS 9 1HB HIS 9 -2.677 -1.140 -1.140
49 HD1 HIS 9 HD1 HIS 9 0.551 0.496 0.496
50 HD2 HIS 9 HD2 HIS 9 -2.903 -0.349 -0.349
51 HE1 HIS 9 HE1 HIS 9 1.034 0.831 0.831
52 H LEU 10 H LEU 10 -1.461 -3.179 -3.179
53 HA LEU 10 HA LEU 10 0.206 -4.334 -4.334
54 1HB LEU 10 2HB LEU 10 -1.892 -5.053 -5.053
55 2HB LEU 10 1HB LEU 10 -0.617 -5.776 -5.776
56 HG LEU 10 HG LEU 10 -1.614 -7.287 -7.287
57 1HD1 LEU 10 3HD1 LEU 10 0.933 -7.313 -7.313
58 2HD1 LEU 10 2HD1 LEU 10 1.044 -6.431 -6.431
59 3HD1 LEU 10 1HD1 LEU 10 0.362 -8.051 -8.051
60 1HD2 LEU 10 2HD2 LEU 10 -2.394 -5.296 -5.296
61 2HD2 LEU 10 1HD2 LEU 10 -2.017 -6.802 -6.802
62 3HD2 LEU 10 3HD2 LEU 10 -0.866 -5.476 -5.476
63 H GLU 11 H GLU 11 0.245 -4.014 -4.014
64 HA GLU 11 HA GLU 11 2.867 -4.899 -4.899
65 1HB GLU 11 2HB GLU 11 1.015 -3.135 -3.135
66 2HB GLU 11 1HB GLU 11 2.514 -3.791 -3.791
67 1HG GLU 11 2HG GLU 11 1.709 -6.064 -6.064
68 2HG GLU 11 1HG GLU 11 0.311 -5.558 -5.558
69 H HIS 12 H HIS 12 1.449 -1.655 -1.655
70 HA HIS 12 HA HIS 12 4.122 -0.393 -0.393
71 1HB HIS 12 2HB HIS 12 1.633 1.219 1.219
72 2HB HIS 12 1HB HIS 12 3.299 1.390 1.390
73 HD1 HIS 12 HD1 HIS 12 2.365 -1.785 -1.785
74 HD2 HIS 12 HD2 HIS 12 2.110 2.050 2.050
75 HE1 HIS 12 HE1 HIS 12 2.015 -1.929 -1.929
76 H SER 13 H SER 13 3.871 -1.413 -1.413
77 HA SER 13 HA SER 13 2.395 0.151 0.151
78 1HB SER 13 2HB SER 13 2.642 -2.487 -2.487
79 2HB SER 13 1HB SER 13 4.281 -2.161 -2.161
80 HG SER 13 HG SER 13 3.314 -0.761 -0.761
81 H ASN 14 H ASN 14 4.676 0.879 0.879
82 HA ASN 14 HA ASN 14 6.904 1.496 1.496
83 1HB ASN 14 2HB ASN 14 7.439 0.446 0.446
84 2HB ASN 14 1HB ASN 14 6.329 1.450 1.450
85 1HD2 ASN 14 1HD2 ASN 14 6.949 3.779 3.779
86 2HD2 ASN 14 2HD2 ASN 14 8.584 4.233 4.233
87 H LEU 15 H LEU 15 5.119 2.933 2.933
88 HA LEU 15 HA LEU 15 5.392 5.624 5.624
89 1HB LEU 15 2HB LEU 15 2.830 5.446 5.446
90 2HB LEU 15 1HB LEU 15 4.314 5.482 5.482
91 HG LEU 15 HG LEU 15 3.403 2.934 2.934
92 1HD1 LEU 15 1HD1 LEU 15 1.936 4.779 4.779
93 2HD1 LEU 15 3HD1 LEU 15 2.267 3.234 3.234
94 3HD1 LEU 15 2HD1 LEU 15 1.376 3.309 3.309
95 1HD2 LEU 15 3HD2 LEU 15 5.553 3.938 3.938
96 2HD2 LEU 15 2HD2 LEU 15 5.079 2.265 2.265
97 3HD2 LEU 15 1HD2 LEU 15 4.451 3.244 3.244
98 H CYS 16 H CYS 16 2.737 3.446 3.446
99 HA CYS 16 HA CYS 16 1.695 5.346 5.346
100 1HB CYS 16 2HB CYS 16 0.584 3.744 3.744
101 2HB CYS 16 1HB CYS 16 0.397 2.764 2.764
102 1HN NH2 17 1HN NH2 17 3.214 2.199 2.199
103 2HN NH2 17 2HN NH2 17 3.312 1.918 1.918
Start of MODEL 11
1 1H GLY 1 1H GLY 1 -6.845 5.613 5.613
2 2H GLY 1 3H GLY 1 -5.511 6.411 6.411
3 3H GLY 1 2H GLY 1 -6.535 7.236 7.236
4 1HA GLY 1 1HA GLY 1 -5.872 5.783 5.783
5 2HA GLY 1 2HA GLY 1 -4.488 6.616 6.616
6 H CYS 2 H CYS 2 -3.354 4.843 4.843
7 HA CYS 2 HA CYS 2 -3.536 2.156 2.156
8 1HB CYS 2 2HB CYS 2 -2.003 3.387 3.387
9 2HB CYS 2 1HB CYS 2 -0.949 3.654 3.654
10 H CYS 3 H CYS 3 -2.012 4.657 4.657
11 HA CYS 3 HA CYS 3 -0.861 2.919 2.919
12 1HB CYS 3 2HB CYS 3 0.364 4.868 4.868
13 2HB CYS 3 1HB CYS 3 -0.883 5.766 5.766
14 H SER 4 H SER 4 -3.900 4.442 4.442
15 HA SER 4 HA SER 4 -4.482 3.893 3.893
16 1HB SER 4 2HB SER 4 -5.138 6.150 6.150
17 2HB SER 4 1HB SER 4 -6.393 5.235 5.235
18 HG SER 4 HG SER 4 -7.187 4.559 4.559
19 H ASN 5 H ASN 5 -4.444 2.436 2.436
20 HA ASN 5 HA ASN 5 -6.965 0.891 0.891
21 1HB ASN 5 2HB ASN 5 -4.428 1.163 1.163
22 2HB ASN 5 1HB ASN 5 -5.200 -0.332 -0.332
23 1HD2 ASN 5 1HD2 ASN 5 -5.490 0.160 0.160
24 2HD2 ASN 5 2HD2 ASN 5 -6.675 1.241 1.241
25 HA PRO 6 HA PRO 6 -5.287 -2.289 -2.289
26 1HB PRO 6 2HB PRO 6 -6.502 -4.512 -4.512
27 2HB PRO 6 1HB PRO 6 -7.266 -3.233 -3.233
28 1HG PRO 6 2HG PRO 6 -7.467 -3.878 -3.878
29 2HG PRO 6 1HG PRO 6 -8.584 -2.985 -2.985
30 1HD PRO 6 2HD PRO 6 -6.784 -1.728 -1.728
31 2HD PRO 6 1HD PRO 6 -7.866 -1.017 -1.017
32 H VAL 7 H VAL 7 -5.689 -3.634 -3.634
33 HA VAL 7 HA VAL 7 -3.471 -5.356 -5.356
34 HB VAL 7 HB VAL 7 -4.997 -4.382 -4.382
35 1HG1 VAL 7 3HG1 VAL 7 -2.897 -6.539 -6.539
36 2HG1 VAL 7 2HG1 VAL 7 -4.201 -6.814 -6.814
37 3HG1 VAL 7 1HG1 VAL 7 -3.140 -5.437 -5.437
38 1HG2 VAL 7 1HG2 VAL 7 -5.291 -6.691 -6.691
39 2HG2 VAL 7 3HG2 VAL 7 -6.415 -5.359 -5.359
40 3HG2 VAL 7 2HG2 VAL 7 -6.161 -6.560 -6.560
41 H CYS 8 H CYS 8 -4.044 -2.331 -2.331
42 HA CYS 8 HA CYS 8 -1.474 -2.144 -2.144
43 1HB CYS 8 2HB CYS 8 -3.889 -1.004 -1.004
44 2HB CYS 8 1HB CYS 8 -3.101 0.203 0.203
45 H HIS 9 H HIS 9 -2.687 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.375 0.093 0.093
47 1HB HIS 9 2HB HIS 9 -2.490 0.558 0.558
48 2HB HIS 9 1HB HIS 9 -2.677 -1.136 -1.136
49 HD1 HIS 9 HD1 HIS 9 0.552 0.487 0.487
50 HD2 HIS 9 HD2 HIS 9 -2.917 -0.313 -0.313
51 HE1 HIS 9 HE1 HIS 9 1.028 0.838 0.838
52 H LEU 10 H LEU 10 -1.460 -3.176 -3.176
53 HA LEU 10 HA LEU 10 0.207 -4.328 -4.328
54 1HB LEU 10 2HB LEU 10 -1.890 -5.050 -5.050
55 2HB LEU 10 1HB LEU 10 -0.613 -5.773 -5.773
56 HG LEU 10 HG LEU 10 -1.608 -7.283 -7.283
57 1HD1 LEU 10 2HD1 LEU 10 0.939 -7.303 -7.303
58 2HD1 LEU 10 1HD1 LEU 10 1.046 -6.423 -6.423
59 3HD1 LEU 10 3HD1 LEU 10 0.366 -8.044 -8.044
60 1HD2 LEU 10 2HD2 LEU 10 -2.394 -5.292 -5.292
61 2HD2 LEU 10 1HD2 LEU 10 -2.014 -6.797 -6.797
62 3HD2 LEU 10 3HD2 LEU 10 -0.865 -5.469 -5.469
63 H GLU 11 H GLU 11 0.246 -4.014 -4.014
64 HA GLU 11 HA GLU 11 2.869 -4.896 -4.896
65 1HB GLU 11 2HB GLU 11 1.018 -3.131 -3.131
66 2HB GLU 11 1HB GLU 11 2.518 -3.786 -3.786
67 1HG GLU 11 2HG GLU 11 1.714 -6.059 -6.059
68 2HG GLU 11 1HG GLU 11 0.315 -5.555 -5.555
69 H HIS 12 H HIS 12 1.451 -1.651 -1.651
70 HA HIS 12 HA HIS 12 4.124 -0.389 -0.389
71 1HB HIS 12 2HB HIS 12 1.634 1.223 1.223
72 2HB HIS 12 1HB HIS 12 3.299 1.394 1.394
73 HD1 HIS 12 HD1 HIS 12 2.366 -1.781 -1.781
74 HD2 HIS 12 HD2 HIS 12 2.098 2.054 2.054
75 HE1 HIS 12 HE1 HIS 12 2.008 -1.924 -1.924
76 H SER 13 H SER 13 3.870 -1.415 -1.415
77 HA SER 13 HA SER 13 2.393 0.150 0.150
78 1HB SER 13 2HB SER 13 2.637 -2.489 -2.489
79 2HB SER 13 1HB SER 13 4.276 -2.166 -2.166
80 HG SER 13 HG SER 13 3.293 -0.751 -0.751
81 H ASN 14 H ASN 14 4.677 0.876 0.876
82 HA ASN 14 HA ASN 14 6.905 1.488 1.488
83 1HB ASN 14 2HB ASN 14 7.469 0.455 0.455
84 2HB ASN 14 1HB ASN 14 6.322 1.413 1.413
85 1HD2 ASN 14 1HD2 ASN 14 9.510 1.526 1.526
86 2HD2 ASN 14 2HD2 ASN 14 10.035 2.956 2.956
87 H LEU 15 H LEU 15 5.130 2.932 2.932
88 HA LEU 15 HA LEU 15 5.405 5.623 5.623
89 1HB LEU 15 2HB LEU 15 2.846 5.449 5.449
90 2HB LEU 15 1HB LEU 15 4.331 5.476 5.476
91 HG LEU 15 HG LEU 15 3.402 2.939 2.939
92 1HD1 LEU 15 2HD1 LEU 15 1.964 4.783 4.783
93 2HD1 LEU 15 1HD1 LEU 15 2.301 3.239 3.239
94 3HD1 LEU 15 3HD1 LEU 15 1.391 3.312 3.312
95 1HD2 LEU 15 1HD2 LEU 15 5.588 3.898 3.898
96 2HD2 LEU 15 3HD2 LEU 15 5.071 2.236 2.236
97 3HD2 LEU 15 2HD2 LEU 15 4.493 3.253 3.253
98 H CYS 16 H CYS 16 2.745 3.450 3.450
99 HA CYS 16 HA CYS 16 1.701 5.351 5.351
100 1HB CYS 16 2HB CYS 16 0.590 3.751 3.751
101 2HB CYS 16 1HB CYS 16 0.401 2.770 2.770
102 1HN NH2 17 1HN NH2 17 3.215 2.200 2.200
103 2HN NH2 17 2HN NH2 17 3.308 1.917 1.917
Start of MODEL 12
1 1H GLY 1 3H GLY 1 -6.847 5.615 5.615
2 2H GLY 1 2H GLY 1 -5.512 6.416 6.416
3 3H GLY 1 1H GLY 1 -6.537 7.238 7.238
4 1HA GLY 1 1HA GLY 1 -5.875 5.783 5.783
5 2HA GLY 1 2HA GLY 1 -4.490 6.616 6.616
6 H CYS 2 H CYS 2 -3.357 4.844 4.844
7 HA CYS 2 HA CYS 2 -3.539 2.157 2.157
8 1HB CYS 2 2HB CYS 2 -2.005 3.387 3.387
9 2HB CYS 2 1HB CYS 2 -0.951 3.656 3.656
10 H CYS 3 H CYS 3 -2.011 4.657 4.657
11 HA CYS 3 HA CYS 3 -0.862 2.919 2.919
12 1HB CYS 3 2HB CYS 3 0.364 4.867 4.867
13 2HB CYS 3 1HB CYS 3 -0.883 5.766 5.766
14 H SER 4 H SER 4 -3.901 4.440 4.440
15 HA SER 4 HA SER 4 -4.482 3.892 3.892
16 1HB SER 4 2HB SER 4 -5.139 6.149 6.149
17 2HB SER 4 1HB SER 4 -6.390 5.235 5.235
18 HG SER 4 HG SER 4 -7.194 4.558 4.558
19 H ASN 5 H ASN 5 -4.444 2.434 2.434
20 HA ASN 5 HA ASN 5 -6.965 0.889 0.889
21 1HB ASN 5 2HB ASN 5 -4.430 1.162 1.162
22 2HB ASN 5 1HB ASN 5 -5.200 -0.333 -0.333
23 1HD2 ASN 5 1HD2 ASN 5 -5.497 0.152 0.152
24 2HD2 ASN 5 2HD2 ASN 5 -6.682 1.234 1.234
25 HA PRO 6 HA PRO 6 -5.286 -2.289 -2.289
26 1HB PRO 6 2HB PRO 6 -6.500 -4.513 -4.513
27 2HB PRO 6 1HB PRO 6 -7.264 -3.235 -3.235
28 1HG PRO 6 2HG PRO 6 -7.468 -3.880 -3.880
29 2HG PRO 6 1HG PRO 6 -8.583 -2.985 -2.985
30 1HD PRO 6 2HD PRO 6 -6.785 -1.731 -1.731
31 2HD PRO 6 1HD PRO 6 -7.867 -1.018 -1.018
32 H VAL 7 H VAL 7 -5.689 -3.636 -3.636
33 HA VAL 7 HA VAL 7 -3.470 -5.356 -5.356
34 HB VAL 7 HB VAL 7 -4.997 -4.384 -4.384
35 1HG1 VAL 7 3HG1 VAL 7 -2.895 -6.539 -6.539
36 2HG1 VAL 7 2HG1 VAL 7 -4.201 -6.817 -6.817
37 3HG1 VAL 7 1HG1 VAL 7 -3.142 -5.439 -5.439
38 1HG2 VAL 7 3HG2 VAL 7 -5.291 -6.691 -6.691
39 2HG2 VAL 7 2HG2 VAL 7 -6.415 -5.359 -5.359
40 3HG2 VAL 7 1HG2 VAL 7 -6.161 -6.563 -6.563
41 H CYS 8 H CYS 8 -4.044 -2.333 -2.333
42 HA CYS 8 HA CYS 8 -1.474 -2.145 -2.145
43 1HB CYS 8 2HB CYS 8 -3.889 -1.006 -1.006
44 2HB CYS 8 1HB CYS 8 -3.101 0.202 0.202
45 H HIS 9 H HIS 9 -2.687 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.376 0.094 0.094
47 1HB HIS 9 2HB HIS 9 -2.489 0.560 0.560
48 2HB HIS 9 1HB HIS 9 -2.677 -1.136 -1.136
49 HD1 HIS 9 HD1 HIS 9 0.552 0.489 0.489
50 HD2 HIS 9 HD2 HIS 9 -2.916 -0.313 -0.313
51 HE1 HIS 9 HE1 HIS 9 1.028 0.840 0.840
52 H LEU 10 H LEU 10 -1.459 -3.175 -3.175
53 HA LEU 10 HA LEU 10 0.208 -4.326 -4.326
54 1HB LEU 10 2HB LEU 10 -1.889 -5.049 -5.049
55 2HB LEU 10 1HB LEU 10 -0.611 -5.772 -5.772
56 HG LEU 10 HG LEU 10 -1.608 -7.281 -7.281
57 1HD1 LEU 10 3HD1 LEU 10 0.939 -7.305 -7.305
58 2HD1 LEU 10 2HD1 LEU 10 1.049 -6.420 -6.420
59 3HD1 LEU 10 1HD1 LEU 10 0.368 -8.042 -8.042
60 1HD2 LEU 10 2HD2 LEU 10 -2.388 -5.287 -5.287
61 2HD2 LEU 10 1HD2 LEU 10 -2.012 -6.793 -6.793
62 3HD2 LEU 10 3HD2 LEU 10 -0.860 -5.468 -5.468
63 H GLU 11 H GLU 11 0.247 -4.015 -4.015
64 HA GLU 11 HA GLU 11 2.870 -4.896 -4.896
65 1HB GLU 11 2HB GLU 11 1.019 -3.131 -3.131
66 2HB GLU 11 1HB GLU 11 2.519 -3.786 -3.786
67 1HG GLU 11 2HG GLU 11 1.713 -6.059 -6.059
68 2HG GLU 11 1HG GLU 11 0.316 -5.554 -5.554
69 H HIS 12 H HIS 12 1.451 -1.651 -1.651
70 HA HIS 12 HA HIS 12 4.124 -0.390 -0.390
71 1HB HIS 12 2HB HIS 12 1.635 1.224 1.224
72 2HB HIS 12 1HB HIS 12 3.300 1.394 1.394
73 HD1 HIS 12 HD1 HIS 12 2.364 -1.781 -1.781
74 HD2 HIS 12 HD2 HIS 12 2.099 2.053 2.053
75 HE1 HIS 12 HE1 HIS 12 2.005 -1.925 -1.925
76 H SER 13 H SER 13 3.870 -1.416 -1.416
77 HA SER 13 HA SER 13 2.394 0.149 0.149
78 1HB SER 13 2HB SER 13 2.635 -2.490 -2.490
79 2HB SER 13 1HB SER 13 4.275 -2.167 -2.167
80 HG SER 13 HG SER 13 3.297 -0.756 -0.756
81 H ASN 14 H ASN 14 4.678 0.874 0.874
82 HA ASN 14 HA ASN 14 6.905 1.486 1.486
83 1HB ASN 14 2HB ASN 14 7.468 0.452 0.452
84 2HB ASN 14 1HB ASN 14 6.324 1.414 1.414
85 1HD2 ASN 14 1HD2 ASN 14 9.513 1.513 1.513
86 2HD2 ASN 14 2HD2 ASN 14 10.042 2.944 2.944
87 H LEU 15 H LEU 15 5.132 2.931 2.931
88 HA LEU 15 HA LEU 15 5.408 5.621 5.621
89 1HB LEU 15 2HB LEU 15 2.848 5.449 5.449
90 2HB LEU 15 1HB LEU 15 4.335 5.475 5.475
91 HG LEU 15 HG LEU 15 3.403 2.939 2.939
92 1HD1 LEU 15 3HD1 LEU 15 1.968 4.784 4.784
93 2HD1 LEU 15 2HD1 LEU 15 2.305 3.241 3.241
94 3HD1 LEU 15 1HD1 LEU 15 1.394 3.313 3.313
95 1HD2 LEU 15 3HD2 LEU 15 5.592 3.895 3.895
96 2HD2 LEU 15 2HD2 LEU 15 5.071 2.234 2.234
97 3HD2 LEU 15 1HD2 LEU 15 4.497 3.253 3.253
98 H CYS 16 H CYS 16 2.744 3.450 3.450
99 HA CYS 16 HA CYS 16 1.702 5.350 5.350
100 1HB CYS 16 2HB CYS 16 0.591 3.751 3.751
101 2HB CYS 16 1HB CYS 16 0.400 2.770 2.770
102 1HN NH2 17 1HN NH2 17 3.214 2.198 2.198
103 2HN NH2 17 2HN NH2 17 3.307 1.915 1.915
Start of MODEL 13
1 1H GLY 1 3H GLY 1 -6.770 5.607 5.607
2 2H GLY 1 2H GLY 1 -5.446 6.404 6.404
3 3H GLY 1 1H GLY 1 -6.453 7.230 7.230
4 1HA GLY 1 1HA GLY 1 -5.761 5.778 5.778
5 2HA GLY 1 2HA GLY 1 -4.388 6.607 6.607
6 H CYS 2 H CYS 2 -3.244 4.827 4.827
7 HA CYS 2 HA CYS 2 -3.444 2.143 2.143
8 1HB CYS 2 2HB CYS 2 -1.873 3.371 3.371
9 2HB CYS 2 1HB CYS 2 -0.845 3.633 3.633
10 H CYS 3 H CYS 3 -1.979 4.641 4.641
11 HA CYS 3 HA CYS 3 -0.845 2.928 2.928
12 1HB CYS 3 2HB CYS 3 0.353 4.900 4.900
13 2HB CYS 3 1HB CYS 3 -0.918 5.780 5.780
14 H SER 4 H SER 4 -3.893 4.440 4.440
15 HA SER 4 HA SER 4 -4.500 3.857 3.857
16 1HB SER 4 2HB SER 4 -5.140 6.133 6.133
17 2HB SER 4 1HB SER 4 -6.373 5.243 5.243
18 HG SER 4 HG SER 4 -6.044 5.273 5.273
19 H ASN 5 H ASN 5 -4.424 2.423 2.423
20 HA ASN 5 HA ASN 5 -6.950 0.895 0.895
21 1HB ASN 5 2HB ASN 5 -4.380 1.167 1.167
22 2HB ASN 5 1HB ASN 5 -5.158 -0.322 -0.322
23 1HD2 ASN 5 1HD2 ASN 5 -5.383 0.211 0.211
24 2HD2 ASN 5 2HD2 ASN 5 -6.559 1.299 1.299
25 HA PRO 6 HA PRO 6 -5.347 -2.327 -2.327
26 1HB PRO 6 2HB PRO 6 -6.556 -4.530 -4.530
27 2HB PRO 6 1HB PRO 6 -7.332 -3.259 -3.259
28 1HG PRO 6 2HG PRO 6 -7.483 -3.868 -3.868
29 2HG PRO 6 1HG PRO 6 -8.612 -2.975 -2.975
30 1HD PRO 6 2HD PRO 6 -6.754 -1.716 -1.716
31 2HD PRO 6 1HD PRO 6 -7.861 -1.007 -1.007
32 H VAL 7 H VAL 7 -5.695 -3.638 -3.638
33 HA VAL 7 HA VAL 7 -3.485 -5.369 -5.369
34 HB VAL 7 HB VAL 7 -4.975 -4.363 -4.363
35 1HG1 VAL 7 3HG1 VAL 7 -2.842 -6.471 -6.471
36 2HG1 VAL 7 2HG1 VAL 7 -4.168 -6.834 -6.834
37 3HG1 VAL 7 1HG1 VAL 7 -3.173 -5.422 -5.422
38 1HG2 VAL 7 3HG2 VAL 7 -5.312 -6.692 -6.692
39 2HG2 VAL 7 2HG2 VAL 7 -6.422 -5.350 -5.350
40 3HG2 VAL 7 1HG2 VAL 7 -6.158 -6.538 -6.538
41 H CYS 8 H CYS 8 -4.026 -2.326 -2.326
42 HA CYS 8 HA CYS 8 -1.428 -2.132 -2.132
43 1HB CYS 8 2HB CYS 8 -3.834 -0.998 -0.998
44 2HB CYS 8 1HB CYS 8 -3.066 0.208 0.208
45 H HIS 9 H HIS 9 -2.704 -1.649 -1.649
46 HA HIS 9 HA HIS 9 -0.422 0.104 0.104
47 1HB HIS 9 2HB HIS 9 -2.536 0.538 0.538
48 2HB HIS 9 1HB HIS 9 -2.717 -1.162 -1.162
49 HD1 HIS 9 HD1 HIS 9 0.495 0.508 0.508
50 HD2 HIS 9 HD2 HIS 9 -2.949 -0.372 -0.372
51 HE1 HIS 9 HE1 HIS 9 0.977 0.850 0.850
52 H LEU 10 H LEU 10 -1.458 -3.183 -3.183
53 HA LEU 10 HA LEU 10 0.235 -4.312 -4.312
54 1HB LEU 10 2HB LEU 10 -1.873 -5.054 -5.054
55 2HB LEU 10 1HB LEU 10 -0.598 -5.775 -5.775
56 HG LEU 10 HG LEU 10 -1.567 -7.284 -7.284
57 1HD1 LEU 10 1HD1 LEU 10 0.978 -7.286 -7.286
58 2HD1 LEU 10 3HD1 LEU 10 1.089 -6.392 -6.392
59 3HD1 LEU 10 2HD1 LEU 10 0.422 -8.020 -8.020
60 1HD2 LEU 10 3HD2 LEU 10 -2.358 -5.289 -5.289
61 2HD2 LEU 10 2HD2 LEU 10 -1.962 -6.787 -6.787
62 3HD2 LEU 10 1HD2 LEU 10 -0.823 -5.449 -5.449
63 H GLU 11 H GLU 11 0.233 -4.052 -4.052
64 HA GLU 11 HA GLU 11 2.860 -4.890 -4.890
65 1HB GLU 11 2HB GLU 11 0.910 -3.218 -3.218
66 2HB GLU 11 1HB GLU 11 2.433 -3.778 -3.778
67 1HG GLU 11 2HG GLU 11 1.744 -6.101 -6.101
68 2HG GLU 11 1HG GLU 11 0.326 -5.632 -5.632
69 H HIS 12 H HIS 12 1.412 -1.666 -1.666
70 HA HIS 12 HA HIS 12 4.084 -0.390 -0.390
71 1HB HIS 12 2HB HIS 12 1.586 1.222 1.222
72 2HB HIS 12 1HB HIS 12 3.249 1.377 1.377
73 HD1 HIS 12 HD1 HIS 12 1.390 -1.552 -1.552
74 HD2 HIS 12 HD2 HIS 12 3.090 1.703 1.703
75 HE1 HIS 12 HE1 HIS 12 1.298 -1.945 -1.945
76 H SER 13 H SER 13 3.844 -1.408 -1.408
77 HA SER 13 HA SER 13 2.381 0.167 0.167
78 1HB SER 13 2HB SER 13 2.628 -2.472 -2.472
79 2HB SER 13 1HB SER 13 4.270 -2.143 -2.143
80 HG SER 13 HG SER 13 3.301 -0.725 -0.725
81 H ASN 14 H ASN 14 4.654 0.882 0.882
82 HA ASN 14 HA ASN 14 6.896 1.504 1.504
83 1HB ASN 14 2HB ASN 14 7.409 0.444 0.444
84 2HB ASN 14 1HB ASN 14 6.300 1.453 1.453
85 1HD2 ASN 14 1HD2 ASN 14 6.927 3.791 3.791
86 2HD2 ASN 14 2HD2 ASN 14 8.567 4.232 4.232
87 H LEU 15 H LEU 15 5.076 2.928 2.928
88 HA LEU 15 HA LEU 15 5.361 5.622 5.622
89 1HB LEU 15 2HB LEU 15 2.790 5.441 5.441
90 2HB LEU 15 1HB LEU 15 4.270 5.482 5.482
91 HG LEU 15 HG LEU 15 3.361 2.933 2.933
92 1HD1 LEU 15 3HD1 LEU 15 1.916 4.780 4.780
93 2HD1 LEU 15 2HD1 LEU 15 2.230 3.222 3.222
94 3HD1 LEU 15 1HD1 LEU 15 1.334 3.328 3.328
95 1HD2 LEU 15 3HD2 LEU 15 5.521 3.926 3.926
96 2HD2 LEU 15 2HD2 LEU 15 5.033 2.256 2.256
97 3HD2 LEU 15 1HD2 LEU 15 4.419 3.250 3.250
98 H CYS 16 H CYS 16 2.724 3.437 3.437
99 HA CYS 16 HA CYS 16 1.693 5.348 5.348
100 1HB CYS 16 2HB CYS 16 0.565 3.735 3.735
101 2HB CYS 16 1HB CYS 16 0.396 2.758 2.758
102 1HN NH2 17 1HN NH2 17 3.210 2.198 2.198
103 2HN NH2 17 2HN NH2 17 3.329 1.931 1.931
Start of MODEL 14
1 1H GLY 1 3H GLY 1 -6.849 5.611 5.611
2 2H GLY 1 2H GLY 1 -5.516 6.415 6.415
3 3H GLY 1 1H GLY 1 -6.543 7.233 7.233
4 1HA GLY 1 1HA GLY 1 -5.881 5.779 5.779
5 2HA GLY 1 2HA GLY 1 -4.496 6.613 6.613
6 H CYS 2 H CYS 2 -3.363 4.840 4.840
7 HA CYS 2 HA CYS 2 -3.544 2.154 2.154
8 1HB CYS 2 2HB CYS 2 -2.011 3.382 3.382
9 2HB CYS 2 1HB CYS 2 -0.956 3.653 3.653
10 H CYS 3 H CYS 3 -2.011 4.656 4.656
11 HA CYS 3 HA CYS 3 -0.862 2.917 2.917
12 1HB CYS 3 2HB CYS 3 0.366 4.863 4.863
13 2HB CYS 3 1HB CYS 3 -0.879 5.764 5.764
14 H SER 4 H SER 4 -3.901 4.438 4.438
15 HA SER 4 HA SER 4 -4.479 3.894 3.894
16 1HB SER 4 2HB SER 4 -5.136 6.150 6.150
17 2HB SER 4 1HB SER 4 -6.391 5.236 5.236
18 HG SER 4 HG SER 4 -7.188 4.562 4.562
19 H ASN 5 H ASN 5 -4.446 2.434 2.434
20 HA ASN 5 HA ASN 5 -6.968 0.889 0.889
21 1HB ASN 5 2HB ASN 5 -4.434 1.160 1.160
22 2HB ASN 5 1HB ASN 5 -5.205 -0.335 -0.335
23 1HD2 ASN 5 1HD2 ASN 5 -5.503 0.148 0.148
24 2HD2 ASN 5 2HD2 ASN 5 -6.688 1.230 1.230
25 HA PRO 6 HA PRO 6 -5.284 -2.288 -2.288
26 1HB PRO 6 2HB PRO 6 -6.498 -4.513 -4.513
27 2HB PRO 6 1HB PRO 6 -7.263 -3.234 -3.234
28 1HG PRO 6 2HG PRO 6 -7.467 -3.882 -3.882
29 2HG PRO 6 1HG PRO 6 -8.582 -2.988 -2.988
30 1HD PRO 6 2HD PRO 6 -6.785 -1.731 -1.731
31 2HD PRO 6 1HD PRO 6 -7.867 -1.021 -1.021
32 H VAL 7 H VAL 7 -5.689 -3.637 -3.637
33 HA VAL 7 HA VAL 7 -3.470 -5.357 -5.357
34 HB VAL 7 HB VAL 7 -4.998 -4.389 -4.389
35 1HG1 VAL 7 2HG1 VAL 7 -2.896 -6.541 -6.541
36 2HG1 VAL 7 1HG1 VAL 7 -4.203 -6.824 -6.824
37 3HG1 VAL 7 3HG1 VAL 7 -3.147 -5.445 -5.445
38 1HG2 VAL 7 3HG2 VAL 7 -5.289 -6.696 -6.696
39 2HG2 VAL 7 2HG2 VAL 7 -6.413 -5.364 -5.364
40 3HG2 VAL 7 1HG2 VAL 7 -6.163 -6.567 -6.567
41 H CYS 8 H CYS 8 -4.047 -2.336 -2.336
42 HA CYS 8 HA CYS 8 -1.478 -2.148 -2.148
43 1HB CYS 8 2HB CYS 8 -3.893 -1.010 -1.010
44 2HB CYS 8 1HB CYS 8 -3.105 0.200 0.200
45 H HIS 9 H HIS 9 -2.688 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.377 0.096 0.096
47 1HB HIS 9 2HB HIS 9 -2.491 0.561 0.561
48 2HB HIS 9 1HB HIS 9 -2.678 -1.134 -1.134
49 HD1 HIS 9 HD1 HIS 9 0.552 0.487 0.487
50 HD2 HIS 9 HD2 HIS 9 -2.920 -0.305 -0.305
51 HE1 HIS 9 HE1 HIS 9 1.026 0.840 0.840
52 H LEU 10 H LEU 10 -1.458 -3.173 -3.173
53 HA LEU 10 HA LEU 10 0.212 -4.321 -4.321
54 1HB LEU 10 2HB LEU 10 -1.886 -5.047 -5.047
55 2HB LEU 10 1HB LEU 10 -0.608 -5.769 -5.769
56 HG LEU 10 HG LEU 10 -1.601 -7.280 -7.280
57 1HD1 LEU 10 2HD1 LEU 10 0.946 -7.299 -7.299
58 2HD1 LEU 10 1HD1 LEU 10 1.055 -6.416 -6.416
59 3HD1 LEU 10 3HD1 LEU 10 0.376 -8.039 -8.039
60 1HD2 LEU 10 3HD2 LEU 10 -2.386 -5.289 -5.289
61 2HD2 LEU 10 2HD2 LEU 10 -2.002 -6.793 -6.793
62 3HD2 LEU 10 1HD2 LEU 10 -0.856 -5.464 -5.464
63 H GLU 11 H GLU 11 0.246 -4.013 -4.013
64 HA GLU 11 HA GLU 11 2.869 -4.891 -4.891
65 1HB GLU 11 2HB GLU 11 1.012 -3.129 -3.129
66 2HB GLU 11 1HB GLU 11 2.513 -3.779 -3.779
67 1HG GLU 11 2HG GLU 11 1.714 -6.054 -6.054
68 2HG GLU 11 1HG GLU 11 0.316 -5.553 -5.553
69 H HIS 12 H HIS 12 1.450 -1.647 -1.647
70 HA HIS 12 HA HIS 12 4.124 -0.386 -0.386
71 1HB HIS 12 2HB HIS 12 1.636 1.232 1.232
72 2HB HIS 12 1HB HIS 12 3.301 1.396 1.396
73 HD1 HIS 12 HD1 HIS 12 2.339 -1.774 -1.774
74 HD2 HIS 12 HD2 HIS 12 2.111 2.063 2.063
75 HE1 HIS 12 HE1 HIS 12 1.978 -1.913 -1.913
76 H SER 13 H SER 13 3.869 -1.415 -1.415
77 HA SER 13 HA SER 13 2.393 0.147 0.147
78 1HB SER 13 2HB SER 13 2.634 -2.492 -2.492
79 2HB SER 13 1HB SER 13 4.272 -2.171 -2.171
80 HG SER 13 HG SER 13 3.274 -0.742 -0.742
81 H ASN 14 H ASN 14 4.681 0.873 0.873
82 HA ASN 14 HA ASN 14 6.906 1.481 1.481
83 1HB ASN 14 2HB ASN 14 7.468 0.448 0.448
84 2HB ASN 14 1HB ASN 14 6.330 1.416 1.416
85 1HD2 ASN 14 1HD2 ASN 14 9.512 1.508 1.508
86 2HD2 ASN 14 2HD2 ASN 14 10.048 2.935 2.935
87 H LEU 15 H LEU 15 5.139 2.932 2.932
88 HA LEU 15 HA LEU 15 5.417 5.621 5.621
89 1HB LEU 15 2HB LEU 15 2.861 5.454 5.454
90 2HB LEU 15 1HB LEU 15 4.349 5.474 5.474
91 HG LEU 15 HG LEU 15 3.407 2.942 2.942
92 1HD1 LEU 15 1HD1 LEU 15 1.980 4.789 4.789
93 2HD1 LEU 15 3HD1 LEU 15 2.317 3.246 3.246
94 3HD1 LEU 15 2HD1 LEU 15 1.402 3.318 3.318
95 1HD2 LEU 15 1HD2 LEU 15 5.604 3.884 3.884
96 2HD2 LEU 15 3HD2 LEU 15 5.073 2.226 2.226
97 3HD2 LEU 15 2HD2 LEU 15 4.510 3.252 3.252
98 H CYS 16 H CYS 16 2.749 3.452 3.452
99 HA CYS 16 HA CYS 16 1.704 5.350 5.350
100 1HB CYS 16 2HB CYS 16 0.594 3.753 3.753
101 2HB CYS 16 1HB CYS 16 0.402 2.772 2.772
102 1HN NH2 17 1HN NH2 17 3.212 2.196 2.196
103 2HN NH2 17 2HN NH2 17 3.304 1.912 1.912
Start of MODEL 15
1 1H GLY 1 2H GLY 1 -5.490 6.421 6.421
2 2H GLY 1 1H GLY 1 -6.513 7.248 7.248
3 3H GLY 1 3H GLY 1 -6.831 5.628 5.628
4 1HA GLY 1 1HA GLY 1 -5.863 5.787 5.787
5 2HA GLY 1 2HA GLY 1 -4.473 6.615 6.615
6 H CYS 2 H CYS 2 -3.346 4.842 4.842
7 HA CYS 2 HA CYS 2 -3.535 2.155 2.155
8 1HB CYS 2 2HB CYS 2 -1.997 3.382 3.382
9 2HB CYS 2 1HB CYS 2 -0.943 3.647 3.647
10 H CYS 3 H CYS 3 -2.010 4.654 4.654
11 HA CYS 3 HA CYS 3 -0.861 2.916 2.916
12 1HB CYS 3 2HB CYS 3 0.364 4.865 4.865
13 2HB CYS 3 1HB CYS 3 -0.883 5.763 5.763
14 H SER 4 H SER 4 -3.900 4.441 4.441
15 HA SER 4 HA SER 4 -4.484 3.894 3.894
16 1HB SER 4 2HB SER 4 -5.140 6.150 6.150
17 2HB SER 4 1HB SER 4 -6.388 5.236 5.236
18 HG SER 4 HG SER 4 -7.204 4.562 4.562
19 H ASN 5 H ASN 5 -4.445 2.435 2.435
20 HA ASN 5 HA ASN 5 -6.964 0.889 0.889
21 1HB ASN 5 2HB ASN 5 -4.427 1.162 1.162
22 2HB ASN 5 1HB ASN 5 -5.199 -0.334 -0.334
23 1HD2 ASN 5 1HD2 ASN 5 -5.496 0.152 0.152
24 2HD2 ASN 5 2HD2 ASN 5 -6.680 1.235 1.235
25 HA PRO 6 HA PRO 6 -5.286 -2.289 -2.289
26 1HB PRO 6 2HB PRO 6 -6.502 -4.513 -4.513
27 2HB PRO 6 1HB PRO 6 -7.265 -3.234 -3.234
28 1HG PRO 6 2HG PRO 6 -7.468 -3.881 -3.881
29 2HG PRO 6 1HG PRO 6 -8.584 -2.985 -2.985
30 1HD PRO 6 2HD PRO 6 -6.782 -1.731 -1.731
31 2HD PRO 6 1HD PRO 6 -7.866 -1.018 -1.018
32 H VAL 7 H VAL 7 -5.689 -3.637 -3.637
33 HA VAL 7 HA VAL 7 -3.470 -5.359 -5.359
34 HB VAL 7 HB VAL 7 -4.999 -4.387 -4.387
35 1HG1 VAL 7 3HG1 VAL 7 -2.894 -6.538 -6.538
36 2HG1 VAL 7 2HG1 VAL 7 -4.201 -6.822 -6.822
37 3HG1 VAL 7 1HG1 VAL 7 -3.147 -5.441 -5.441
38 1HG2 VAL 7 2HG2 VAL 7 -5.289 -6.697 -6.697
39 2HG2 VAL 7 1HG2 VAL 7 -6.414 -5.364 -5.364
40 3HG2 VAL 7 3HG2 VAL 7 -6.163 -6.564 -6.564
41 H CYS 8 H CYS 8 -4.046 -2.335 -2.335
42 HA CYS 8 HA CYS 8 -1.476 -2.147 -2.147
43 1HB CYS 8 2HB CYS 8 -3.892 -1.008 -1.008
44 2HB CYS 8 1HB CYS 8 -3.103 0.201 0.201
45 H HIS 9 H HIS 9 -2.688 -1.627 -1.627
46 HA HIS 9 HA HIS 9 -0.378 0.093 0.093
47 1HB HIS 9 2HB HIS 9 -2.489 0.557 0.557
48 2HB HIS 9 1HB HIS 9 -2.678 -1.139 -1.139
49 HD1 HIS 9 HD1 HIS 9 0.550 0.490 0.490
50 HD2 HIS 9 HD2 HIS 9 -2.913 -0.325 -0.325
51 HE1 HIS 9 HE1 HIS 9 1.030 0.836 0.836
52 H LEU 10 H LEU 10 -1.459 -3.178 -3.178
53 HA LEU 10 HA LEU 10 0.212 -4.325 -4.325
54 1HB LEU 10 2HB LEU 10 -1.887 -5.051 -5.051
55 2HB LEU 10 1HB LEU 10 -0.610 -5.773 -5.773
56 HG LEU 10 HG LEU 10 -1.603 -7.282 -7.282
57 1HD1 LEU 10 2HD1 LEU 10 0.945 -7.302 -7.302
58 2HD1 LEU 10 1HD1 LEU 10 1.056 -6.420 -6.420
59 3HD1 LEU 10 3HD1 LEU 10 0.378 -8.043 -8.043
60 1HD2 LEU 10 3HD2 LEU 10 -2.380 -5.288 -5.288
61 2HD2 LEU 10 2HD2 LEU 10 -2.003 -6.793 -6.793
62 3HD2 LEU 10 1HD2 LEU 10 -0.850 -5.468 -5.468
63 H GLU 11 H GLU 11 0.245 -4.013 -4.013
64 HA GLU 11 HA GLU 11 2.869 -4.893 -4.893
65 1HB GLU 11 2HB GLU 11 1.011 -3.136 -3.136
66 2HB GLU 11 1HB GLU 11 2.511 -3.788 -3.788
67 1HG GLU 11 2HG GLU 11 1.711 -6.062 -6.062
68 2HG GLU 11 1HG GLU 11 0.314 -5.558 -5.558
69 H HIS 12 H HIS 12 1.445 -1.651 -1.651
70 HA HIS 12 HA HIS 12 4.118 -0.386 -0.386
71 1HB HIS 12 2HB HIS 12 1.626 1.227 1.227
72 2HB HIS 12 1HB HIS 12 3.291 1.396 1.396
73 HD1 HIS 12 HD1 HIS 12 2.336 -1.776 -1.776
74 HD2 HIS 12 HD2 HIS 12 2.109 2.060 2.060
75 HE1 HIS 12 HE1 HIS 12 1.982 -1.917 -1.917
76 H SER 13 H SER 13 3.868 -1.414 -1.414
77 HA SER 13 HA SER 13 2.395 0.148 0.148
78 1HB SER 13 2HB SER 13 2.638 -2.489 -2.489
79 2HB SER 13 1HB SER 13 4.279 -2.167 -2.167
80 HG SER 13 HG SER 13 3.307 -0.760 -0.760
81 H ASN 14 H ASN 14 4.675 0.878 0.878
82 HA ASN 14 HA ASN 14 6.906 1.490 1.490
83 1HB ASN 14 2HB ASN 14 7.469 0.460 0.460
84 2HB ASN 14 1HB ASN 14 6.318 1.413 1.413
85 1HD2 ASN 14 1HD2 ASN 14 9.504 1.549 1.549
86 2HD2 ASN 14 2HD2 ASN 14 10.024 2.975 2.975
87 H LEU 15 H LEU 15 5.125 2.933 2.933
88 HA LEU 15 HA LEU 15 5.400 5.624 5.624
89 1HB LEU 15 2HB LEU 15 2.840 5.451 5.451
90 2HB LEU 15 1HB LEU 15 4.326 5.479 5.479
91 HG LEU 15 HG LEU 15 3.397 2.941 2.941
92 1HD1 LEU 15 3HD1 LEU 15 1.959 4.786 4.786
93 2HD1 LEU 15 2HD1 LEU 15 2.295 3.244 3.244
94 3HD1 LEU 15 1HD1 LEU 15 1.385 3.315 3.315
95 1HD2 LEU 15 1HD2 LEU 15 5.582 3.900 3.900
96 2HD2 LEU 15 3HD2 LEU 15 5.064 2.238 2.238
97 3HD2 LEU 15 2HD2 LEU 15 4.486 3.256 3.256
98 H CYS 16 H CYS 16 2.741 3.450 3.450
99 HA CYS 16 HA CYS 16 1.697 5.348 5.348
100 1HB CYS 16 2HB CYS 16 0.587 3.749 3.749
101 2HB CYS 16 1HB CYS 16 0.397 2.768 2.768
102 1HN NH2 17 1HN NH2 17 3.215 2.199 2.199
103 2HN NH2 17 2HN NH2 17 3.309 1.915 1.915
Start of MODEL 16
1 1H GLY 1 3H GLY 1 -5.414 6.412 6.412
2 2H GLY 1 2H GLY 1 -6.402 7.247 7.247
3 3H GLY 1 1H GLY 1 -6.741 5.628 5.628
4 1HA GLY 1 1HA GLY 1 -5.714 5.782 5.782
5 2HA GLY 1 2HA GLY 1 -4.337 6.602 6.602
6 H CYS 2 H CYS 2 -3.201 4.811 4.811
7 HA CYS 2 HA CYS 2 -3.429 2.131 2.131
8 1HB CYS 2 2HB CYS 2 -1.842 3.349 3.349
9 2HB CYS 2 1HB CYS 2 -0.814 3.594 3.594
10 H CYS 3 H CYS 3 -1.965 4.629 4.629
11 HA CYS 3 HA CYS 3 -0.846 2.922 2.922
12 1HB CYS 3 2HB CYS 3 0.352 4.896 4.896
13 2HB CYS 3 1HB CYS 3 -0.920 5.776 5.776
14 H SER 4 H SER 4 -3.888 4.446 4.446
15 HA SER 4 HA SER 4 -4.511 3.877 3.877
16 1HB SER 4 2HB SER 4 -5.146 6.143 6.143
17 2HB SER 4 1HB SER 4 -6.366 5.250 5.250
18 HG SER 4 HG SER 4 -7.267 4.557 4.557
19 H ASN 5 H ASN 5 -4.425 2.432 2.432
20 HA ASN 5 HA ASN 5 -6.946 0.894 0.894
21 1HB ASN 5 2HB ASN 5 -4.380 1.171 1.171
22 2HB ASN 5 1HB ASN 5 -5.151 -0.323 -0.323
23 1HD2 ASN 5 1HD2 ASN 5 -5.419 0.165 0.165
24 2HD2 ASN 5 2HD2 ASN 5 -6.588 1.258 1.258
25 HA PRO 6 HA PRO 6 -5.333 -2.306 -2.306
26 1HB PRO 6 2HB PRO 6 -6.548 -4.516 -4.516
27 2HB PRO 6 1HB PRO 6 -7.316 -3.238 -3.238
28 1HG PRO 6 2HG PRO 6 -7.489 -3.866 -3.866
29 2HG PRO 6 1HG PRO 6 -8.610 -2.964 -2.964
30 1HD PRO 6 2HD PRO 6 -6.765 -1.723 -1.723
31 2HD PRO 6 1HD PRO 6 -7.861 -1.001 -1.001
32 H VAL 7 H VAL 7 -5.697 -3.630 -3.630
33 HA VAL 7 HA VAL 7 -3.498 -5.374 -5.374
34 HB VAL 7 HB VAL 7 -4.999 -4.364 -4.364
35 1HG1 VAL 7 2HG1 VAL 7 -2.929 -6.551 -6.551
36 2HG1 VAL 7 1HG1 VAL 7 -4.220 -6.779 -6.779
37 3HG1 VAL 7 3HG1 VAL 7 -3.134 -5.416 -5.416
38 1HG2 VAL 7 2HG2 VAL 7 -5.321 -6.686 -6.686
39 2HG2 VAL 7 1HG2 VAL 7 -6.433 -5.343 -5.343
40 3HG2 VAL 7 3HG2 VAL 7 -6.180 -6.538 -6.538
41 H CYS 8 H CYS 8 -4.027 -2.327 -2.327
42 HA CYS 8 HA CYS 8 -1.438 -2.144 -2.144
43 1HB CYS 8 2HB CYS 8 -3.840 -1.008 -1.008
44 2HB CYS 8 1HB CYS 8 -3.059 0.200 0.200
45 H HIS 9 H HIS 9 -2.680 -1.665 -1.665
46 HA HIS 9 HA HIS 9 -0.403 0.097 0.097
47 1HB HIS 9 2HB HIS 9 -2.507 0.536 0.536
48 2HB HIS 9 1HB HIS 9 -2.698 -1.168 -1.168
49 HD1 HIS 9 HD1 HIS 9 0.506 0.536 0.536
50 HD2 HIS 9 HD2 HIS 9 -2.892 -0.480 -0.480
51 HE1 HIS 9 HE1 HIS 9 1.008 0.825 0.825
52 H LEU 10 H LEU 10 -1.459 -3.164 -3.164
53 HA LEU 10 HA LEU 10 0.204 -4.327 -4.327
54 1HB LEU 10 2HB LEU 10 -1.875 -4.983 -4.983
55 2HB LEU 10 1HB LEU 10 -0.584 -5.773 -5.773
56 HG LEU 10 HG LEU 10 -0.167 -6.474 -6.474
57 1HD1 LEU 10 3HD1 LEU 10 -2.108 -5.077 -5.077
58 2HD1 LEU 10 2HD1 LEU 10 -3.181 -6.073 -6.073
59 3HD1 LEU 10 1HD1 LEU 10 -2.350 -6.763 -6.763
60 1HD2 LEU 10 2HD2 LEU 10 -2.202 -7.774 -7.774
61 2HD2 LEU 10 1HD2 LEU 10 -0.477 -8.099 -8.099
62 3HD2 LEU 10 3HD2 LEU 10 -1.474 -8.583 -8.583
63 H GLU 11 H GLU 11 0.233 -4.040 -4.040
64 HA GLU 11 HA GLU 11 2.864 -4.873 -4.873
65 1HB GLU 11 2HB GLU 11 0.924 -3.187 -3.187
66 2HB GLU 11 1HB GLU 11 2.446 -3.754 -3.754
67 1HG GLU 11 2HG GLU 11 1.743 -6.072 -6.072
68 2HG GLU 11 1HG GLU 11 0.330 -5.607 -5.607
69 H HIS 12 H HIS 12 1.409 -1.653 -1.653
70 HA HIS 12 HA HIS 12 4.080 -0.376 -0.376
71 1HB HIS 12 2HB HIS 12 1.577 1.230 1.230
72 2HB HIS 12 1HB HIS 12 3.243 1.401 1.401
73 HD1 HIS 12 HD1 HIS 12 1.378 -1.513 -1.513
74 HD2 HIS 12 HD2 HIS 12 3.150 1.718 1.718
75 HE1 HIS 12 HE1 HIS 12 1.319 -1.904 -1.904
76 H SER 13 H SER 13 3.848 -1.400 -1.400
77 HA SER 13 HA SER 13 2.386 0.154 0.154
78 1HB SER 13 2HB SER 13 2.651 -2.485 -2.485
79 2HB SER 13 1HB SER 13 4.294 -2.147 -2.147
80 HG SER 13 HG SER 13 3.363 -0.786 -0.786
81 H ASN 14 H ASN 14 4.647 0.893 0.893
82 HA ASN 14 HA ASN 14 6.893 1.520 1.520
83 1HB ASN 14 2HB ASN 14 7.407 0.472 0.472
84 2HB ASN 14 1HB ASN 14 6.282 1.472 1.472
85 1HD2 ASN 14 1HD2 ASN 14 6.885 3.805 3.805
86 2HD2 ASN 14 2HD2 ASN 14 8.518 4.268 4.268
87 H LEU 15 H LEU 15 5.058 2.943 2.943
88 HA LEU 15 HA LEU 15 5.328 5.635 5.635
89 1HB LEU 15 2HB LEU 15 2.750 5.441 5.441
90 2HB LEU 15 1HB LEU 15 4.228 5.508 5.508
91 HG LEU 15 HG LEU 15 3.350 2.940 2.940
92 1HD1 LEU 15 1HD1 LEU 15 1.897 4.797 4.797
93 2HD1 LEU 15 3HD1 LEU 15 2.213 3.238 3.238
94 3HD1 LEU 15 2HD1 LEU 15 1.315 3.345 3.345
95 1HD2 LEU 15 3HD2 LEU 15 5.491 3.987 3.987
96 2HD2 LEU 15 2HD2 LEU 15 5.038 2.306 2.306
97 3HD2 LEU 15 1HD2 LEU 15 4.397 3.289 3.289
98 H CYS 16 H CYS 16 2.708 3.433 3.433
99 HA CYS 16 HA CYS 16 1.678 5.333 5.333
100 1HB CYS 16 2HB CYS 16 0.553 3.729 3.729
101 2HB CYS 16 1HB CYS 16 0.379 2.745 2.745
102 1HN NH2 17 1HN NH2 17 3.214 2.197 2.197
103 2HN NH2 17 2HN NH2 17 3.332 1.914 1.914
Start of MODEL 17
1 1H GLY 1 2H GLY 1 -6.848 5.603 5.603
2 2H GLY 1 1H GLY 1 -5.521 6.408 6.408
3 3H GLY 1 3H GLY 1 -6.546 7.229 7.229
4 1HA GLY 1 1HA GLY 1 -5.868 5.784 5.784
5 2HA GLY 1 2HA GLY 1 -4.488 6.619 6.619
6 H CYS 2 H CYS 2 -3.349 4.847 4.847
7 HA CYS 2 HA CYS 2 -3.531 2.160 2.160
8 1HB CYS 2 2HB CYS 2 -1.994 3.391 3.391
9 2HB CYS 2 1HB CYS 2 -0.943 3.660 3.660
10 H CYS 3 H CYS 3 -2.010 4.659 4.659
11 HA CYS 3 HA CYS 3 -0.860 2.922 2.922
12 1HB CYS 3 2HB CYS 3 0.363 4.872 4.872
13 2HB CYS 3 1HB CYS 3 -0.886 5.770 5.770
14 H SER 4 H SER 4 -3.900 4.443 4.443
15 HA SER 4 HA SER 4 -4.484 3.888 3.888
16 1HB SER 4 2HB SER 4 -5.137 6.146 6.146
17 2HB SER 4 1HB SER 4 -6.412 5.227 5.227
18 HG SER 4 HG SER 4 -7.118 4.536 4.536
19 H ASN 5 H ASN 5 -4.442 2.438 2.438
20 HA ASN 5 HA ASN 5 -6.963 0.893 0.893
21 1HB ASN 5 2HB ASN 5 -4.423 1.166 1.166
22 2HB ASN 5 1HB ASN 5 -5.195 -0.328 -0.328
23 1HD2 ASN 5 1HD2 ASN 5 -5.472 0.173 0.173
24 2HD2 ASN 5 2HD2 ASN 5 -6.659 1.253 1.253
25 HA PRO 6 HA PRO 6 -5.289 -2.288 -2.288
26 1HB PRO 6 2HB PRO 6 -6.503 -4.512 -4.512
27 2HB PRO 6 1HB PRO 6 -7.267 -3.232 -3.232
28 1HG PRO 6 2HG PRO 6 -7.467 -3.877 -3.877
29 2HG PRO 6 1HG PRO 6 -8.584 -2.984 -2.984
30 1HD PRO 6 2HD PRO 6 -6.782 -1.725 -1.725
31 2HD PRO 6 1HD PRO 6 -7.866 -1.014 -1.014
32 H VAL 7 H VAL 7 -5.688 -3.631 -3.631
33 HA VAL 7 HA VAL 7 -3.472 -5.355 -5.355
34 HB VAL 7 HB VAL 7 -4.995 -4.376 -4.376
35 1HG1 VAL 7 3HG1 VAL 7 -2.885 -6.521 -6.521
36 2HG1 VAL 7 2HG1 VAL 7 -4.195 -6.818 -6.818
37 3HG1 VAL 7 1HG1 VAL 7 -3.150 -5.431 -5.431
38 1HG2 VAL 7 1HG2 VAL 7 -5.291 -6.689 -6.689
39 2HG2 VAL 7 3HG2 VAL 7 -6.413 -5.355 -5.355
40 3HG2 VAL 7 2HG2 VAL 7 -6.161 -6.553 -6.553
41 H CYS 8 H CYS 8 -4.040 -2.328 -2.328
42 HA CYS 8 HA CYS 8 -1.468 -2.140 -2.140
43 1HB CYS 8 2HB CYS 8 -3.882 -0.999 -0.999
44 2HB CYS 8 1HB CYS 8 -3.094 0.208 0.208
45 H HIS 9 H HIS 9 -2.685 -1.625 -1.625
46 HA HIS 9 HA HIS 9 -0.373 0.091 0.091
47 1HB HIS 9 2HB HIS 9 -2.486 0.558 0.558
48 2HB HIS 9 1HB HIS 9 -2.678 -1.138 -1.138
49 HD1 HIS 9 HD1 HIS 9 0.546 0.509 0.509
50 HD2 HIS 9 HD2 HIS 9 -2.901 -0.356 -0.356
51 HE1 HIS 9 HE1 HIS 9 1.031 0.843 0.843
52 H LEU 10 H LEU 10 -1.461 -3.177 -3.177
53 HA LEU 10 HA LEU 10 0.203 -4.334 -4.334
54 1HB LEU 10 2HB LEU 10 -1.893 -5.053 -5.053
55 2HB LEU 10 1HB LEU 10 -0.617 -5.773 -5.773
56 HG LEU 10 HG LEU 10 -1.615 -7.286 -7.286
57 1HD1 LEU 10 2HD1 LEU 10 0.930 -7.315 -7.315
58 2HD1 LEU 10 1HD1 LEU 10 1.050 -6.433 -6.433
59 3HD1 LEU 10 3HD1 LEU 10 0.366 -8.055 -8.055
60 1HD2 LEU 10 2HD2 LEU 10 -2.377 -5.287 -5.287
61 2HD2 LEU 10 1HD2 LEU 10 -2.021 -6.805 -6.805
62 3HD2 LEU 10 3HD2 LEU 10 -0.852 -5.494 -5.494
63 H GLU 11 H GLU 11 0.246 -4.016 -4.016
64 HA GLU 11 HA GLU 11 2.868 -4.900 -4.900
65 1HB GLU 11 2HB GLU 11 1.022 -3.132 -3.132
66 2HB GLU 11 1HB GLU 11 2.521 -3.791 -3.791
67 1HG GLU 11 2HG GLU 11 1.712 -6.061 -6.061
68 2HG GLU 11 1HG GLU 11 0.314 -5.555 -5.555
69 H HIS 12 H HIS 12 1.451 -1.655 -1.655
70 HA HIS 12 HA HIS 12 4.123 -0.394 -0.394
71 1HB HIS 12 2HB HIS 12 1.634 1.216 1.216
72 2HB HIS 12 1HB HIS 12 3.300 1.391 1.391
73 HD1 HIS 12 HD1 HIS 12 2.384 -1.787 -1.787
74 HD2 HIS 12 HD2 HIS 12 2.099 2.046 2.046
75 HE1 HIS 12 HE1 HIS 12 2.033 -1.932 -1.932
76 H SER 13 H SER 13 3.868 -1.416 -1.416
77 HA SER 13 HA SER 13 2.391 0.153 0.153
78 1HB SER 13 2HB SER 13 2.633 -2.486 -2.486
79 2HB SER 13 1HB SER 13 4.274 -2.161 -2.161
80 HG SER 13 HG SER 13 3.309 -0.758 -0.758
81 H ASN 14 H ASN 14 4.674 0.875 0.875
82 HA ASN 14 HA ASN 14 6.902 1.491 1.491
83 1HB ASN 14 2HB ASN 14 7.470 0.457 0.457
84 2HB ASN 14 1HB ASN 14 6.318 1.408 1.408
85 1HD2 ASN 14 1HD2 ASN 14 9.513 1.529 1.529
86 2HD2 ASN 14 2HD2 ASN 14 10.030 2.961 2.961
87 H LEU 15 H LEU 15 5.124 2.930 2.930
88 HA LEU 15 HA LEU 15 5.400 5.622 5.622
89 1HB LEU 15 2HB LEU 15 2.837 5.445 5.445
90 2HB LEU 15 1HB LEU 15 4.323 5.475 5.475
91 HG LEU 15 HG LEU 15 3.401 2.934 2.934
92 1HD1 LEU 15 3HD1 LEU 15 1.956 4.777 4.777
93 2HD1 LEU 15 2HD1 LEU 15 2.294 3.234 3.234
94 3HD1 LEU 15 1HD1 LEU 15 1.386 3.307 3.307
95 1HD2 LEU 15 3HD2 LEU 15 5.581 3.904 3.904
96 2HD2 LEU 15 2HD2 LEU 15 5.072 2.240 2.240
97 3HD2 LEU 15 1HD2 LEU 15 4.486 3.252 3.252
98 H CYS 16 H CYS 16 2.742 3.448 3.448
99 HA CYS 16 HA CYS 16 1.701 5.352 5.352
100 1HB CYS 16 2HB CYS 16 0.587 3.748 3.748
101 2HB CYS 16 1HB CYS 16 0.401 2.771 2.771
102 1HN NH2 17 1HN NH2 17 3.216 2.204 2.204
103 2HN NH2 17 2HN NH2 17 3.313 1.922 1.922
Start of MODEL 18
1 1H GLY 1 1H GLY 1 -6.670 5.812 5.812
2 2H GLY 1 3H GLY 1 -7.048 6.851 6.851
3 3H GLY 1 2H GLY 1 -7.184 5.170 5.170
4 1HA GLY 1 1HA GLY 1 -5.222 5.992 5.992
5 2HA GLY 1 2HA GLY 1 -4.660 6.661 6.661
6 H CYS 2 H CYS 2 -3.313 4.855 4.855
7 HA CYS 2 HA CYS 2 -3.473 2.170 2.170
8 1HB CYS 2 2HB CYS 2 -1.942 3.425 3.425
9 2HB CYS 2 1HB CYS 2 -0.897 3.681 3.681
10 H CYS 3 H CYS 3 -2.005 4.687 4.687
11 HA CYS 3 HA CYS 3 -0.838 2.953 2.953
12 1HB CYS 3 2HB CYS 3 0.366 4.910 4.910
13 2HB CYS 3 1HB CYS 3 -0.899 5.805 5.805
14 H SER 4 H SER 4 -3.906 4.460 4.460
15 HA SER 4 HA SER 4 -4.455 3.845 3.845
16 1HB SER 4 2HB SER 4 -6.750 5.103 5.103
17 2HB SER 4 1HB SER 4 -5.292 6.063 6.063
18 HG SER 4 HG SER 4 -6.161 4.937 4.937
19 H ASN 5 H ASN 5 -4.417 2.451 2.451
20 HA ASN 5 HA ASN 5 -6.951 0.929 0.929
21 1HB ASN 5 2HB ASN 5 -4.392 1.194 1.194
22 2HB ASN 5 1HB ASN 5 -5.185 -0.288 -0.288
23 1HD2 ASN 5 1HD2 ASN 5 -5.334 0.320 0.320
24 2HD2 ASN 5 2HD2 ASN 5 -6.534 1.382 1.382
25 HA PRO 6 HA PRO 6 -5.313 -2.294 -2.294
26 1HB PRO 6 2HB PRO 6 -6.535 -4.500 -4.500
27 2HB PRO 6 1HB PRO 6 -7.298 -3.228 -3.228
28 1HG PRO 6 2HG PRO 6 -7.485 -3.836 -3.836
29 2HG PRO 6 1HG PRO 6 -8.602 -2.948 -2.948
30 1HD PRO 6 2HD PRO 6 -6.779 -1.679 -1.679
31 2HD PRO 6 1HD PRO 6 -7.866 -0.976 -0.976
32 H VAL 7 H VAL 7 -5.702 -3.606 -3.606
33 HA VAL 7 HA VAL 7 -3.492 -5.337 -5.337
34 HB VAL 7 HB VAL 7 -4.997 -4.337 -4.337
35 1HG1 VAL 7 3HG1 VAL 7 -2.904 -6.493 -6.493
36 2HG1 VAL 7 2HG1 VAL 7 -4.212 -6.780 -6.780
37 3HG1 VAL 7 1HG1 VAL 7 -3.158 -5.397 -5.397
38 1HG2 VAL 7 2HG2 VAL 7 -5.326 -6.654 -6.654
39 2HG2 VAL 7 1HG2 VAL 7 -6.437 -5.313 -5.313
40 3HG2 VAL 7 3HG2 VAL 7 -6.181 -6.510 -6.510
41 H CYS 8 H CYS 8 -4.043 -2.297 -2.297
42 HA CYS 8 HA CYS 8 -1.464 -2.109 -2.109
43 1HB CYS 8 2HB CYS 8 -3.869 -0.958 -0.958
44 2HB CYS 8 1HB CYS 8 -3.080 0.237 0.237
45 H HIS 9 H HIS 9 -2.693 -1.610 -1.610
46 HA HIS 9 HA HIS 9 -0.383 0.104 0.104
47 1HB HIS 9 2HB HIS 9 -2.500 0.558 0.558
48 2HB HIS 9 1HB HIS 9 -2.683 -1.139 -1.139
49 HD1 HIS 9 HD1 HIS 9 0.549 0.475 0.475
50 HD2 HIS 9 HD2 HIS 9 -2.928 -0.292 -0.292
51 HE1 HIS 9 HE1 HIS 9 1.024 0.834 0.834
52 H LEU 10 H LEU 10 -1.464 -3.166 -3.166
53 HA LEU 10 HA LEU 10 0.212 -4.327 -4.327
54 1HB LEU 10 2HB LEU 10 -1.894 -5.038 -5.038
55 2HB LEU 10 1HB LEU 10 -0.622 -5.763 -5.763
56 HG LEU 10 HG LEU 10 -1.618 -7.273 -7.273
57 1HD1 LEU 10 2HD1 LEU 10 0.928 -7.306 -7.306
58 2HD1 LEU 10 1HD1 LEU 10 1.047 -6.427 -6.427
59 3HD1 LEU 10 3HD1 LEU 10 0.361 -8.045 -8.045
60 1HD2 LEU 10 3HD2 LEU 10 -2.384 -5.281 -5.281
61 2HD2 LEU 10 2HD2 LEU 10 -2.013 -6.793 -6.793
62 3HD2 LEU 10 1HD2 LEU 10 -0.854 -5.474 -5.474
63 H GLU 11 H GLU 11 0.226 -4.010 -4.010
64 HA GLU 11 HA GLU 11 2.849 -4.877 -4.877
65 1HB GLU 11 2HB GLU 11 0.940 -3.153 -3.153
66 2HB GLU 11 1HB GLU 11 2.450 -3.756 -3.756
67 1HG GLU 11 2HG GLU 11 1.708 -6.060 -6.060
68 2HG GLU 11 1HG GLU 11 0.296 -5.573 -5.573
69 H HIS 12 H HIS 12 1.423 -1.640 -1.640
70 HA HIS 12 HA HIS 12 4.102 -0.380 -0.380
71 1HB HIS 12 2HB HIS 12 1.614 1.254 1.254
72 2HB HIS 12 1HB HIS 12 3.278 1.400 1.400
73 HD1 HIS 12 HD1 HIS 12 2.033 -1.716 -1.716
74 HD2 HIS 12 HD2 HIS 12 2.373 2.080 2.080
75 HE1 HIS 12 HE1 HIS 12 1.750 -1.866 -1.866
76 H SER 13 H SER 13 3.861 -1.418 -1.418
77 HA SER 13 HA SER 13 2.407 0.142 0.142
78 1HB SER 13 2HB SER 13 2.635 -2.496 -2.496
79 2HB SER 13 1HB SER 13 4.282 -2.187 -2.187
80 HG SER 13 HG SER 13 1.864 -1.215 -1.215
81 H ASN 14 H ASN 14 4.685 0.866 0.866
82 HA ASN 14 HA ASN 14 6.926 1.457 1.457
83 1HB ASN 14 2HB ASN 14 7.474 0.434 0.434
84 2HB ASN 14 1HB ASN 14 6.324 1.400 1.400
85 1HD2 ASN 14 1HD2 ASN 14 9.522 1.500 1.500
86 2HD2 ASN 14 2HD2 ASN 14 10.046 2.929 2.929
87 H LEU 15 H LEU 15 5.141 2.924 2.924
88 HA LEU 15 HA LEU 15 5.435 5.610 5.610
89 1HB LEU 15 2HB LEU 15 2.871 5.458 5.458
90 2HB LEU 15 1HB LEU 15 4.351 5.479 5.479
91 HG LEU 15 HG LEU 15 3.409 2.945 2.945
92 1HD1 LEU 15 2HD1 LEU 15 1.977 4.808 4.808
93 2HD1 LEU 15 1HD1 LEU 15 2.284 3.258 3.258
94 3HD1 LEU 15 3HD1 LEU 15 1.389 3.350 3.350
95 1HD2 LEU 15 3HD2 LEU 15 5.587 3.897 3.897
96 2HD2 LEU 15 2HD2 LEU 15 5.062 2.237 2.237
97 3HD2 LEU 15 1HD2 LEU 15 4.476 3.259 3.259
98 H CYS 16 H CYS 16 2.767 3.448 3.448
99 HA CYS 16 HA CYS 16 1.743 5.342 5.342
100 1HB CYS 16 2HB CYS 16 0.610 3.755 3.755
101 2HB CYS 16 1HB CYS 16 0.437 2.763 2.763
102 1HN NH2 17 1HN NH2 17 3.234 2.179 2.179
103 2HN NH2 17 2HN NH2 17 3.345 1.894 1.894
Start of MODEL 19
1 1H GLY 1 1H GLY 1 -5.511 6.412 6.412
2 2H GLY 1 3H GLY 1 -6.533 7.239 7.239
3 3H GLY 1 2H GLY 1 -6.845 5.615 5.615
4 1HA GLY 1 1HA GLY 1 -5.869 5.787 5.787
5 2HA GLY 1 2HA GLY 1 -4.486 6.620 6.620
6 H CYS 2 H CYS 2 -3.351 4.847 4.847
7 HA CYS 2 HA CYS 2 -3.534 2.160 2.160
8 1HB CYS 2 2HB CYS 2 -1.998 3.391 3.391
9 2HB CYS 2 1HB CYS 2 -0.945 3.659 3.659
10 H CYS 3 H CYS 3 -2.010 4.659 4.659
11 HA CYS 3 HA CYS 3 -0.860 2.920 2.920
12 1HB CYS 3 2HB CYS 3 0.363 4.871 4.871
13 2HB CYS 3 1HB CYS 3 -0.885 5.768 5.768
14 H SER 4 H SER 4 -3.901 4.441 4.441
15 HA SER 4 HA SER 4 -4.483 3.887 3.887
16 1HB SER 4 2HB SER 4 -5.138 6.146 6.146
17 2HB SER 4 1HB SER 4 -6.397 5.231 5.231
18 HG SER 4 HG SER 4 -7.103 6.084 6.084
19 H ASN 5 H ASN 5 -4.443 2.435 2.435
20 HA ASN 5 HA ASN 5 -6.964 0.891 0.891
21 1HB ASN 5 2HB ASN 5 -4.426 1.164 1.164
22 2HB ASN 5 1HB ASN 5 -5.198 -0.330 -0.330
23 1HD2 ASN 5 1HD2 ASN 5 -5.485 0.164 0.164
24 2HD2 ASN 5 2HD2 ASN 5 -6.670 1.246 1.246
25 HA PRO 6 HA PRO 6 -5.289 -2.291 -2.291
26 1HB PRO 6 2HB PRO 6 -6.503 -4.513 -4.513
27 2HB PRO 6 1HB PRO 6 -7.267 -3.236 -3.236
28 1HG PRO 6 2HG PRO 6 -7.470 -3.878 -3.878
29 2HG PRO 6 1HG PRO 6 -8.585 -2.985 -2.985
30 1HD PRO 6 2HD PRO 6 -6.783 -1.728 -1.728
31 2HD PRO 6 1HD PRO 6 -7.867 -1.016 -1.016
32 H VAL 7 H VAL 7 -5.689 -3.634 -3.634
33 HA VAL 7 HA VAL 7 -3.472 -5.357 -5.357
34 HB VAL 7 HB VAL 7 -4.996 -4.379 -4.379
35 1HG1 VAL 7 1HG1 VAL 7 -2.901 -6.542 -6.542
36 2HG1 VAL 7 3HG1 VAL 7 -4.202 -6.806 -6.806
37 3HG1 VAL 7 2HG1 VAL 7 -3.135 -5.433 -5.433
38 1HG2 VAL 7 2HG2 VAL 7 -5.293 -6.688 -6.688
39 2HG2 VAL 7 1HG2 VAL 7 -6.416 -5.355 -5.355
40 3HG2 VAL 7 3HG2 VAL 7 -6.160 -6.559 -6.559
41 H CYS 8 H CYS 8 -4.042 -2.330 -2.330
42 HA CYS 8 HA CYS 8 -1.470 -2.142 -2.142
43 1HB CYS 8 2HB CYS 8 -3.885 -1.002 -1.002
44 2HB CYS 8 1HB CYS 8 -3.097 0.205 0.205
45 H HIS 9 H HIS 9 -2.687 -1.624 -1.624
46 HA HIS 9 HA HIS 9 -0.374 0.091 0.091
47 1HB HIS 9 2HB HIS 9 -2.489 0.557 0.557
48 2HB HIS 9 1HB HIS 9 -2.678 -1.139 -1.139
49 HD1 HIS 9 HD1 HIS 9 0.550 0.490 0.490
50 HD2 HIS 9 HD2 HIS 9 -2.914 -0.325 -0.325
51 HE1 HIS 9 HE1 HIS 9 1.029 0.838 0.838
52 H LEU 10 H LEU 10 -1.462 -3.177 -3.177
53 HA LEU 10 HA LEU 10 0.202 -4.332 -4.332
54 1HB LEU 10 2HB LEU 10 -1.893 -5.052 -5.052
55 2HB LEU 10 1HB LEU 10 -0.616 -5.775 -5.775
56 HG LEU 10 HG LEU 10 -1.615 -7.285 -7.285
57 1HD1 LEU 10 3HD1 LEU 10 0.932 -7.310 -7.310
58 2HD1 LEU 10 2HD1 LEU 10 1.042 -6.428 -6.428
59 3HD1 LEU 10 1HD1 LEU 10 0.359 -8.049 -8.049
60 1HD2 LEU 10 3HD2 LEU 10 -2.395 -5.292 -5.292
61 2HD2 LEU 10 2HD2 LEU 10 -2.023 -6.800 -6.800
62 3HD2 LEU 10 1HD2 LEU 10 -0.869 -5.477 -5.477
63 H GLU 11 H GLU 11 0.246 -4.015 -4.015
64 HA GLU 11 HA GLU 11 2.869 -4.899 -4.899
65 1HB GLU 11 2HB GLU 11 1.025 -3.131 -3.131
66 2HB GLU 11 1HB GLU 11 2.524 -3.790 -3.790
67 1HG GLU 11 2HG GLU 11 1.714 -6.060 -6.060
68 2HG GLU 11 1HG GLU 11 0.316 -5.554 -5.554
69 H HIS 12 H HIS 12 1.453 -1.653 -1.653
70 HA HIS 12 HA HIS 12 4.125 -0.392 -0.392
71 1HB HIS 12 2HB HIS 12 1.636 1.219 1.219
72 2HB HIS 12 1HB HIS 12 3.302 1.392 1.392
73 HD1 HIS 12 HD1 HIS 12 2.384 -1.785 -1.785
74 HD2 HIS 12 HD2 HIS 12 2.098 2.047 2.047
75 HE1 HIS 12 HE1 HIS 12 2.030 -1.931 -1.931
76 H SER 13 H SER 13 3.869 -1.414 -1.414
77 HA SER 13 HA SER 13 2.392 0.153 0.153
78 1HB SER 13 2HB SER 13 2.635 -2.484 -2.484
79 2HB SER 13 1HB SER 13 4.274 -2.160 -2.160
80 HG SER 13 HG SER 13 3.294 -0.744 -0.744
81 H ASN 14 H ASN 14 4.678 0.877 0.877
82 HA ASN 14 HA ASN 14 6.903 1.491 1.491
83 1HB ASN 14 2HB ASN 14 7.440 0.440 0.440
84 2HB ASN 14 1HB ASN 14 6.334 1.446 1.446
85 1HD2 ASN 14 1HD2 ASN 14 6.959 3.773 3.773
86 2HD2 ASN 14 2HD2 ASN 14 8.595 4.224 4.224
87 H LEU 15 H LEU 15 5.124 2.930 2.930
88 HA LEU 15 HA LEU 15 5.401 5.621 5.621
89 1HB LEU 15 2HB LEU 15 2.839 5.446 5.446
90 2HB LEU 15 1HB LEU 15 4.323 5.478 5.478
91 HG LEU 15 HG LEU 15 3.408 2.933 2.933
92 1HD1 LEU 15 1HD1 LEU 15 1.944 4.778 4.778
93 2HD1 LEU 15 3HD1 LEU 15 2.276 3.236 3.236
94 3HD1 LEU 15 2HD1 LEU 15 1.383 3.306 3.306
95 1HD2 LEU 15 2HD2 LEU 15 5.562 3.930 3.930
96 2HD2 LEU 15 1HD2 LEU 15 5.084 2.259 2.259
97 3HD2 LEU 15 3HD2 LEU 15 4.459 3.238 3.238
98 H CYS 16 H CYS 16 2.742 3.448 3.448
99 HA CYS 16 HA CYS 16 1.700 5.351 5.351
100 1HB CYS 16 2HB CYS 16 0.588 3.748 3.748
101 2HB CYS 16 1HB CYS 16 0.401 2.768 2.768
102 1HN NH2 17 1HN NH2 17 3.214 2.199 2.199
103 2HN NH2 17 2HN NH2 17 3.311 1.921 1.921
Start of MODEL 20
1 1H GLY 1 3H GLY 1 -6.669 5.788 5.788
2 2H GLY 1 2H GLY 1 -7.053 6.843 6.843
3 3H GLY 1 1H GLY 1 -7.187 5.163 5.163
4 1HA GLY 1 1HA GLY 1 -5.229 5.991 5.991
5 2HA GLY 1 2HA GLY 1 -4.665 6.657 6.657
6 H CYS 2 H CYS 2 -3.316 4.856 4.856
7 HA CYS 2 HA CYS 2 -3.471 2.170 2.170
8 1HB CYS 2 2HB CYS 2 -1.946 3.430 3.430
9 2HB CYS 2 1HB CYS 2 -0.897 3.682 3.682
10 H CYS 3 H CYS 3 -2.004 4.688 4.688
11 HA CYS 3 HA CYS 3 -0.834 2.954 2.954
12 1HB CYS 3 2HB CYS 3 0.367 4.914 4.914
13 2HB CYS 3 1HB CYS 3 -0.899 5.807 5.807
14 H SER 4 H SER 4 -3.904 4.458 4.458
15 HA SER 4 HA SER 4 -4.452 3.838 3.838
16 1HB SER 4 2HB SER 4 -6.751 5.094 5.094
17 2HB SER 4 1HB SER 4 -5.298 6.053 6.053
18 HG SER 4 HG SER 4 -6.130 4.945 4.945
19 H ASN 5 H ASN 5 -4.414 2.449 2.449
20 HA ASN 5 HA ASN 5 -6.950 0.930 0.930
21 1HB ASN 5 2HB ASN 5 -4.389 1.194 1.194
22 2HB ASN 5 1HB ASN 5 -5.183 -0.287 -0.287
23 1HD2 ASN 5 1HD2 ASN 5 -5.319 0.335 0.335
24 2HD2 ASN 5 2HD2 ASN 5 -6.522 1.393 1.393
25 HA PRO 6 HA PRO 6 -5.318 -2.297 -2.297
26 1HB PRO 6 2HB PRO 6 -6.540 -4.503 -4.503
27 2HB PRO 6 1HB PRO 6 -7.303 -3.235 -3.235
28 1HG PRO 6 2HG PRO 6 -7.490 -3.834 -3.834
29 2HG PRO 6 1HG PRO 6 -8.607 -2.948 -2.948
30 1HD PRO 6 2HD PRO 6 -6.782 -1.675 -1.675
31 2HD PRO 6 1HD PRO 6 -7.868 -0.973 -0.973
32 H VAL 7 H VAL 7 -5.705 -3.605 -3.605
33 HA VAL 7 HA VAL 7 -3.500 -5.340 -5.340
34 HB VAL 7 HB VAL 7 -5.005 -4.328 -4.328
35 1HG1 VAL 7 2HG1 VAL 7 -2.931 -6.514 -6.514
36 2HG1 VAL 7 1HG1 VAL 7 -4.222 -6.741 -6.741
37 3HG1 VAL 7 3HG1 VAL 7 -3.136 -5.377 -5.377
38 1HG2 VAL 7 2HG2 VAL 7 -5.318 -6.657 -6.657
39 2HG2 VAL 7 1HG2 VAL 7 -6.434 -5.316 -5.316
40 3HG2 VAL 7 3HG2 VAL 7 -6.181 -6.504 -6.504
41 H CYS 8 H CYS 8 -4.040 -2.294 -2.294
42 HA CYS 8 HA CYS 8 -1.465 -2.103 -2.103
43 1HB CYS 8 2HB CYS 8 -3.870 -0.956 -0.956
44 2HB CYS 8 1HB CYS 8 -3.074 0.240 0.240
45 H HIS 9 H HIS 9 -2.677 -1.619 -1.619
46 HA HIS 9 HA HIS 9 -0.373 0.101 0.101
47 1HB HIS 9 2HB HIS 9 -2.498 0.556 0.556
48 2HB HIS 9 1HB HIS 9 -2.675 -1.142 -1.142
49 HD1 HIS 9 HD1 HIS 9 0.549 0.486 0.486
50 HD2 HIS 9 HD2 HIS 9 -2.919 -0.307 -0.307
51 HE1 HIS 9 HE1 HIS 9 1.028 0.840 0.840
52 H LEU 10 H LEU 10 -1.473 -3.146 -3.146
53 HA LEU 10 HA LEU 10 0.155 -4.330 -4.330
54 1HB LEU 10 2HB LEU 10 -1.902 -4.963 -4.963
55 2HB LEU 10 1HB LEU 10 -0.607 -5.764 -5.764
56 HG LEU 10 HG LEU 10 -0.250 -6.463 -6.463
57 1HD1 LEU 10 1HD1 LEU 10 -2.204 -5.065 -5.065
58 2HD1 LEU 10 3HD1 LEU 10 -3.256 -6.058 -6.058
59 3HD1 LEU 10 2HD1 LEU 10 -2.461 -6.750 -6.750
60 1HD2 LEU 10 3HD2 LEU 10 -2.234 -7.757 -7.757
61 2HD2 LEU 10 2HD2 LEU 10 -0.512 -8.094 -8.094
62 3HD2 LEU 10 1HD2 LEU 10 -1.556 -8.568 -8.568
63 H GLU 11 H GLU 11 0.234 -4.009 -4.009
64 HA GLU 11 HA GLU 11 2.862 -4.879 -4.879
65 1HB GLU 11 2HB GLU 11 1.000 -3.131 -3.131
66 2HB GLU 11 1HB GLU 11 2.508 -3.769 -3.769
67 1HG GLU 11 2HG GLU 11 1.720 -6.051 -6.051
68 2HG GLU 11 1HG GLU 11 0.318 -5.554 -5.554
69 H HIS 12 H HIS 12 1.436 -1.637 -1.637
70 HA HIS 12 HA HIS 12 4.112 -0.380 -0.380
71 1HB HIS 12 2HB HIS 12 1.627 1.253 1.253
72 2HB HIS 12 1HB HIS 12 3.294 1.405 1.405
73 HD1 HIS 12 HD1 HIS 12 2.204 -1.741 -1.741
74 HD2 HIS 12 HD2 HIS 12 2.245 2.091 2.091
75 HE1 HIS 12 HE1 HIS 12 1.890 -1.878 -1.878
76 H SER 13 H SER 13 3.859 -1.415 -1.415
77 HA SER 13 HA SER 13 2.403 0.151 0.151
78 1HB SER 13 2HB SER 13 2.633 -2.489 -2.489
79 2HB SER 13 1HB SER 13 4.279 -2.176 -2.176
80 HG SER 13 HG SER 13 3.334 -0.778 -0.778
81 H ASN 14 H ASN 14 4.686 0.868 0.868
82 HA ASN 14 HA ASN 14 6.925 1.461 1.461
83 1HB ASN 14 2HB ASN 14 7.441 0.415 0.415
84 2HB ASN 14 1HB ASN 14 6.337 1.433 1.433
85 1HD2 ASN 14 1HD2 ASN 14 6.974 3.757 3.757
86 2HD2 ASN 14 2HD2 ASN 14 8.613 4.198 4.198
87 H LEU 15 H LEU 15 5.136 2.922 2.922
88 HA LEU 15 HA LEU 15 5.436 5.608 5.608
89 1HB LEU 15 2HB LEU 15 2.866 5.455 5.455
90 2HB LEU 15 1HB LEU 15 4.346 5.488 5.488
91 HG LEU 15 HG LEU 15 3.421 2.940 2.940
92 1HD1 LEU 15 1HD1 LEU 15 1.974 4.813 4.813
93 2HD1 LEU 15 3HD1 LEU 15 2.278 3.261 3.261
94 3HD1 LEU 15 2HD1 LEU 15 1.391 3.355 3.355
95 1HD2 LEU 15 3HD2 LEU 15 5.573 3.942 3.942
96 2HD2 LEU 15 2HD2 LEU 15 5.090 2.271 2.271
97 3HD2 LEU 15 1HD2 LEU 15 4.461 3.261 3.261
98 H CYS 16 H CYS 16 2.768 3.451 3.451
99 HA CYS 16 HA CYS 16 1.745 5.348 5.348
100 1HB CYS 16 2HB CYS 16 0.611 3.757 3.757
101 2HB CYS 16 1HB CYS 16 0.442 2.766 2.766
102 1HN NH2 17 1HN NH2 17 3.232 2.182 2.182
103 2HN NH2 17 2HN NH2 17 3.348 1.904 1.904
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