NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
647137 |
6kn2   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -1.523 4.257 1.666
2 H2 GLY 1 HT2 GLY 1 -1.788 2.606 1.909
3 H3 GLY 1 HT3 GLY 1 -2.358 3.357 0.504
4 HA2 GLY 1 HA1 GLY 1 0.482 2.991 1.240
5 HA3 GLY 1 HA2 GLY 1 -0.398 2.074 0.024
6 H PHE 2 HN PHE 2 1.982 3.902 -0.137
7 HA PHE 2 HA PHE 2 1.041 5.396 -2.426
8 HB2 PHE 2 HB2 PHE 2 0.939 6.927 -0.453
9 HB3 PHE 2 HB1 PHE 2 2.655 6.613 -0.194
10 HD1 PHE 2 HD1 PHE 2 0.211 8.190 -2.414
11 HD2 PHE 2 HD2 PHE 2 4.305 7.633 -1.482
12 HE1 PHE 2 HE1 PHE 2 0.791 10.037 -3.932
13 HE2 PHE 2 HE2 PHE 2 4.911 9.494 -2.995
14 HZ PHE 2 HZ PHE 2 3.146 10.692 -4.222
15 H ARG 3 HN ARG 3 2.512 5.223 -4.059
16 HA ARG 3 HA ARG 3 5.030 3.963 -3.533
17 HB2 ARG 3 HB2 ARG 3 3.674 3.381 -5.452
18 HB3 ARG 3 HB1 ARG 3 3.719 5.056 -5.982
19 HG2 ARG 3 HG2 ARG 3 6.145 4.878 -6.282
20 HG3 ARG 3 HG1 ARG 3 6.055 3.174 -5.826
21 HD2 ARG 3 HD2 ARG 3 4.674 2.676 -7.682
22 HD3 ARG 3 HD1 ARG 3 4.484 4.387 -8.063
23 HE ARG 3 HE ARG 3 7.217 3.707 -8.114
24 HH11 ARG 3 HH11 ARG 3 4.289 3.166 -9.972
25 HH12 ARG 3 HH12 ARG 3 5.121 3.029 -11.481
26 HH21 ARG 3 HH21 ARG 3 8.323 3.519 -10.120
27 HH22 ARG 3 HH22 ARG 3 7.421 3.229 -11.565
28 H SER 4 HN SER 4 6.336 5.386 -2.495
29 HA SER 4 HA SER 4 6.493 8.147 -3.039
30 HB2 SER 4 HB2 SER 4 7.176 7.149 -0.892
31 HB3 SER 4 HB1 SER 4 8.517 6.338 -1.697
32 HG SER 4 HG SER 4 9.325 8.189 -0.822
33 HA PRO 5 HA PRO 5 8.895 7.894 -6.811
34 HB2 PRO 5 HB2 PRO 5 9.280 10.542 -7.094
35 HB3 PRO 5 HB1 PRO 5 7.746 9.750 -7.496
36 HG2 PRO 5 HG2 PRO 5 8.526 11.315 -5.068
37 HG3 PRO 5 HG1 PRO 5 6.992 11.324 -5.955
38 HD2 PRO 5 HD2 PRO 5 7.351 9.978 -3.630
39 HD3 PRO 5 HD1 PRO 5 6.227 9.446 -4.898
40 H CYS 6 HN CYS 6 10.356 7.407 -4.445
41 HA CYS 6 HA CYS 6 12.922 8.481 -5.264
42 HB2 CYS 6 HB2 CYS 6 12.091 10.184 -3.725
43 HB3 CYS 6 HB1 CYS 6 11.818 8.960 -2.490
44 HA PRO 7 HA PRO 7 14.129 7.223 -6.314
45 HB2 PRO 7 HB2 PRO 7 14.310 4.876 -7.657
46 HB3 PRO 7 HB1 PRO 7 15.549 5.404 -6.513
47 HG2 PRO 7 HG2 PRO 7 13.277 3.498 -6.089
48 HG3 PRO 7 HG1 PRO 7 14.980 3.319 -5.628
49 HD2 PRO 7 HD2 PRO 7 13.105 4.082 -3.861
50 HD3 PRO 7 HD1 PRO 7 14.764 4.712 -3.799
51 HA PRO 8 HA PRO 8 14.502 6.824 -8.477
52 HB2 PRO 8 HB2 PRO 8 14.067 7.074 -11.014
53 HB3 PRO 8 HB1 PRO 8 13.647 5.523 -10.262
54 HG2 PRO 8 HG2 PRO 8 11.846 7.796 -11.026
55 HG3 PRO 8 HG1 PRO 8 11.569 6.071 -11.257
56 HD2 PRO 8 HD2 PRO 8 10.645 7.637 -9.100
57 HD3 PRO 8 HD1 PRO 8 10.656 5.872 -9.157
58 H PHE 9 HN PHE 9 12.744 9.076 -7.353
59 HA PHE 9 HA PHE 9 14.063 11.048 -9.019
60 HB2 PHE 9 HB2 PHE 9 11.317 11.502 -7.807
61 HB3 PHE 9 HB1 PHE 9 12.219 12.661 -8.770
62 HD1 PHE 9 HD1 PHE 9 9.460 10.784 -8.938
63 HD2 PHE 9 HD2 PHE 9 13.112 11.253 -11.082
64 HE1 PHE 9 HE1 PHE 9 8.394 9.865 -10.953
65 HE2 PHE 9 HE2 PHE 9 12.042 10.342 -13.102
66 HZ PHE 9 HZ PHE 9 9.685 9.646 -13.038
67 H CYS 10 HN CYS 10 15.699 10.803 -7.409
68 HA CYS 10 HA CYS 10 15.437 12.938 -5.460
69 HB2 CYS 10 HB2 CYS 10 16.002 10.099 -4.754
70 HB3 CYS 10 HB1 CYS 10 16.892 11.351 -3.895
71 HN1 NH2 11 H1 CYS 10 16.740 14.128 -6.804
72 HN2 NH2 11 H2 CYS 10 18.427 13.802 -7.000
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 2.817 -2.357 0.087
2 H2 GLY 1 HT2 GLY 1 4.198 -3.249 0.466
3 H3 GLY 1 HT3 GLY 1 4.021 -2.571 -1.076
4 HA2 GLY 1 HA1 GLY 1 4.296 -1.054 1.448
5 HA3 GLY 1 HA2 GLY 1 5.563 -1.281 0.248
6 H PHE 2 HN PHE 2 5.175 1.232 0.693
7 HA PHE 2 HA PHE 2 3.205 2.234 -1.198
8 HB2 PHE 2 HB2 PHE 2 3.442 3.153 1.163
9 HB3 PHE 2 HB1 PHE 2 4.999 3.796 0.654
10 HD1 PHE 2 HD1 PHE 2 1.417 4.121 0.466
11 HD2 PHE 2 HD2 PHE 2 5.121 5.588 -0.995
12 HE1 PHE 2 HE1 PHE 2 0.273 6.127 -0.391
13 HE2 PHE 2 HE2 PHE 2 3.992 7.598 -1.856
14 HZ PHE 2 HZ PHE 2 1.563 7.869 -1.552
15 H ARG 3 HN ARG 3 3.884 2.794 -3.228
16 HA ARG 3 HA ARG 3 6.693 2.853 -3.776
17 HB2 ARG 3 HB2 ARG 3 5.032 1.833 -5.253
18 HB3 ARG 3 HB1 ARG 3 4.320 3.425 -5.484
19 HG2 ARG 3 HG2 ARG 3 6.439 4.198 -6.458
20 HG3 ARG 3 HG1 ARG 3 7.076 2.556 -6.310
21 HD2 ARG 3 HD2 ARG 3 5.251 1.743 -7.695
22 HD3 ARG 3 HD1 ARG 3 4.657 3.392 -7.866
23 HE ARG 3 HE ARG 3 7.407 2.968 -8.697
24 HH11 ARG 3 HH11 ARG 3 4.056 3.157 -9.722
25 HH12 ARG 3 HH12 ARG 3 4.450 3.420 -11.385
26 HH21 ARG 3 HH21 ARG 3 7.917 3.328 -10.896
27 HH22 ARG 3 HH22 ARG 3 6.644 3.528 -12.052
28 H SER 4 HN SER 4 7.504 4.658 -2.805
29 HA SER 4 HA SER 4 6.374 7.260 -3.440
30 HB2 SER 4 HB2 SER 4 7.236 6.751 -1.138
31 HB3 SER 4 HB1 SER 4 8.849 6.564 -1.823
32 HG SER 4 HG SER 4 7.309 8.868 -1.444
33 HA PRO 5 HA PRO 5 9.031 7.767 -7.001
34 HB2 PRO 5 HB2 PRO 5 9.092 10.480 -7.081
35 HB3 PRO 5 HB1 PRO 5 7.717 9.517 -7.651
36 HG2 PRO 5 HG2 PRO 5 8.103 10.963 -5.058
37 HG3 PRO 5 HG1 PRO 5 6.650 10.853 -6.069
38 HD2 PRO 5 HD2 PRO 5 6.966 9.372 -3.840
39 HD3 PRO 5 HD1 PRO 5 6.101 8.767 -5.268
40 H CYS 6 HN CYS 6 10.448 7.285 -4.631
41 HA CYS 6 HA CYS 6 12.932 8.597 -5.244
42 HB2 CYS 6 HB2 CYS 6 11.900 10.239 -3.753
43 HB3 CYS 6 HB1 CYS 6 11.610 8.992 -2.547
44 HA PRO 7 HA PRO 7 14.127 7.340 -6.331
45 HB2 PRO 7 HB2 PRO 7 14.449 4.984 -7.630
46 HB3 PRO 7 HB1 PRO 7 15.655 5.609 -6.500
47 HG2 PRO 7 HG2 PRO 7 13.515 3.563 -6.044
48 HG3 PRO 7 HG1 PRO 7 15.225 3.517 -5.571
49 HD2 PRO 7 HD2 PRO 7 13.267 4.185 -3.836
50 HD3 PRO 7 HD1 PRO 7 14.890 4.898 -3.753
51 HA PRO 8 HA PRO 8 14.513 6.851 -8.529
52 HB2 PRO 8 HB2 PRO 8 14.020 7.116 -11.049
53 HB3 PRO 8 HB1 PRO 8 13.643 5.550 -10.307
54 HG2 PRO 8 HG2 PRO 8 11.784 7.818 -10.966
55 HG3 PRO 8 HG1 PRO 8 11.546 6.097 -11.278
56 HD2 PRO 8 HD2 PRO 8 10.588 7.502 -9.049
57 HD3 PRO 8 HD1 PRO 8 10.724 5.746 -9.154
58 H PHE 9 HN PHE 9 12.726 9.058 -7.344
59 HA PHE 9 HA PHE 9 13.999 11.065 -9.003
60 HB2 PHE 9 HB2 PHE 9 11.244 11.429 -7.786
61 HB3 PHE 9 HB1 PHE 9 12.122 12.648 -8.698
62 HD1 PHE 9 HD1 PHE 9 9.444 10.642 -8.956
63 HD2 PHE 9 HD2 PHE 9 13.077 11.397 -11.038
64 HE1 PHE 9 HE1 PHE 9 8.447 9.747 -11.019
65 HE2 PHE 9 HE2 PHE 9 12.083 10.513 -13.105
66 HZ PHE 9 HZ PHE 9 9.769 9.685 -13.098
67 H CYS 10 HN CYS 10 15.643 10.842 -7.451
68 HA CYS 10 HA CYS 10 15.505 12.934 -5.478
69 HB2 CYS 10 HB2 CYS 10 15.769 10.060 -4.704
70 HB3 CYS 10 HB1 CYS 10 16.716 11.252 -3.825
71 HN1 NH2 11 H1 CYS 10 17.003 13.957 -6.743
72 HN2 NH2 11 H2 CYS 10 18.635 13.413 -6.910
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 2.506 -2.277 -0.601
2 H2 GLY 1 HT2 GLY 1 3.857 -3.234 -0.251
3 H3 GLY 1 HT3 GLY 1 3.671 -2.566 -1.791
4 HA2 GLY 1 HA1 GLY 1 4.101 -1.053 0.714
5 HA3 GLY 1 HA2 GLY 1 5.313 -1.351 -0.524
6 H PHE 2 HN PHE 2 4.728 1.218 0.246
7 HA PHE 2 HA PHE 2 2.865 2.328 -1.666
8 HB2 PHE 2 HB2 PHE 2 3.130 3.143 0.727
9 HB3 PHE 2 HB1 PHE 2 4.705 3.763 0.245
10 HD1 PHE 2 HD1 PHE 2 1.107 4.147 -0.060
11 HD2 PHE 2 HD2 PHE 2 4.902 5.701 -1.167
12 HE1 PHE 2 HE1 PHE 2 0.024 6.230 -0.814
13 HE2 PHE 2 HE2 PHE 2 3.837 7.790 -1.923
14 HZ PHE 2 HZ PHE 2 1.391 8.054 -1.746
15 H ARG 3 HN ARG 3 3.494 3.142 -3.618
16 HA ARG 3 HA ARG 3 6.268 3.052 -4.306
17 HB2 ARG 3 HB2 ARG 3 4.495 2.285 -5.783
18 HB3 ARG 3 HB1 ARG 3 3.829 3.911 -5.789
19 HG2 ARG 3 HG2 ARG 3 5.826 4.748 -6.883
20 HG3 ARG 3 HG1 ARG 3 6.527 3.124 -6.860
21 HD2 ARG 3 HD2 ARG 3 4.745 2.299 -8.227
22 HD3 ARG 3 HD1 ARG 3 3.942 3.863 -8.178
23 HE ARG 3 HE ARG 3 6.305 4.526 -9.242
24 HH11 ARG 3 HH11 ARG 3 4.148 1.869 -10.030
25 HH12 ARG 3 HH12 ARG 3 4.556 1.862 -11.710
26 HH21 ARG 3 HH21 ARG 3 6.839 4.520 -11.474
27 HH22 ARG 3 HH22 ARG 3 6.087 3.380 -12.534
28 H SER 4 HN SER 4 7.248 4.677 -3.193
29 HA SER 4 HA SER 4 6.319 7.415 -3.519
30 HB2 SER 4 HB2 SER 4 7.153 6.588 -1.300
31 HB3 SER 4 HB1 SER 4 8.740 6.347 -2.027
32 HG SER 4 HG SER 4 8.718 8.329 -1.020
33 HA PRO 5 HA PRO 5 9.012 8.027 -7.015
34 HB2 PRO 5 HB2 PRO 5 9.234 10.713 -6.940
35 HB3 PRO 5 HB1 PRO 5 7.776 9.878 -7.504
36 HG2 PRO 5 HG2 PRO 5 8.352 11.151 -4.856
37 HG3 PRO 5 HG1 PRO 5 6.857 11.189 -5.810
38 HD2 PRO 5 HD2 PRO 5 7.204 9.555 -3.673
39 HD3 PRO 5 HD1 PRO 5 6.179 9.130 -5.057
40 H CYS 6 HN CYS 6 10.388 7.343 -4.603
41 HA CYS 6 HA CYS 6 12.961 8.458 -5.251
42 HB2 CYS 6 HB2 CYS 6 12.012 10.143 -3.694
43 HB3 CYS 6 HB1 CYS 6 11.841 8.888 -2.472
44 HA PRO 7 HA PRO 7 14.115 7.191 -6.296
45 HB2 PRO 7 HB2 PRO 7 14.319 4.865 -7.653
46 HB3 PRO 7 HB1 PRO 7 15.539 5.371 -6.476
47 HG2 PRO 7 HG2 PRO 7 13.245 3.471 -6.129
48 HG3 PRO 7 HG1 PRO 7 14.938 3.277 -5.637
49 HD2 PRO 7 HD2 PRO 7 13.021 4.033 -3.899
50 HD3 PRO 7 HD1 PRO 7 14.688 4.635 -3.787
51 HA PRO 8 HA PRO 8 14.497 6.837 -8.429
52 HB2 PRO 8 HB2 PRO 8 14.072 7.089 -10.975
53 HB3 PRO 8 HB1 PRO 8 13.709 5.527 -10.222
54 HG2 PRO 8 HG2 PRO 8 11.831 7.696 -11.066
55 HG3 PRO 8 HG1 PRO 8 11.608 5.953 -11.182
56 HD2 PRO 8 HD2 PRO 8 10.688 7.667 -9.110
57 HD3 PRO 8 HD1 PRO 8 10.620 5.907 -9.106
58 H PHE 9 HN PHE 9 12.740 9.101 -7.316
59 HA PHE 9 HA PHE 9 14.054 11.047 -9.019
60 HB2 PHE 9 HB2 PHE 9 11.324 11.543 -7.796
61 HB3 PHE 9 HB1 PHE 9 12.221 12.663 -8.810
62 HD1 PHE 9 HD1 PHE 9 9.494 10.692 -8.850
63 HD2 PHE 9 HD2 PHE 9 13.064 11.268 -11.093
64 HE1 PHE 9 HE1 PHE 9 8.424 9.673 -10.816
65 HE2 PHE 9 HE2 PHE 9 11.993 10.268 -13.069
66 HZ PHE 9 HZ PHE 9 9.671 9.465 -12.930
67 H CYS 10 HN CYS 10 15.704 10.812 -7.400
68 HA CYS 10 HA CYS 10 15.477 13.019 -5.520
69 HB2 CYS 10 HB2 CYS 10 16.071 10.198 -4.703
70 HB3 CYS 10 HB1 CYS 10 16.821 11.531 -3.834
71 HN1 NH2 11 H1 CYS 10 16.900 14.236 -6.612
72 HN2 NH2 11 H2 CYS 10 18.547 13.803 -6.900
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 0.165 2.853 2.092
2 H2 GLY 1 HT2 GLY 1 -0.426 1.277 1.922
3 H3 GLY 1 HT3 GLY 1 -1.261 2.574 1.231
4 HA2 GLY 1 HA1 GLY 1 1.446 1.676 0.454
5 HA3 GLY 1 HA2 GLY 1 -0.033 1.318 -0.427
6 H PHE 2 HN PHE 2 2.492 3.543 0.055
7 HA PHE 2 HA PHE 2 1.225 5.383 -1.825
8 HB2 PHE 2 HB2 PHE 2 1.313 6.336 0.472
9 HB3 PHE 2 HB1 PHE 2 3.057 6.092 0.466
10 HD1 PHE 2 HD1 PHE 2 0.318 8.158 -0.680
11 HD2 PHE 2 HD2 PHE 2 4.485 7.420 -0.975
12 HE1 PHE 2 HE1 PHE 2 0.630 10.389 -1.680
13 HE2 PHE 2 HE2 PHE 2 4.823 9.648 -1.972
14 HZ PHE 2 HZ PHE 2 2.887 11.138 -2.326
15 H ARG 3 HN ARG 3 2.411 5.606 -3.652
16 HA ARG 3 HA ARG 3 5.033 4.454 -3.763
17 HB2 ARG 3 HB2 ARG 3 3.394 4.143 -5.507
18 HB3 ARG 3 HB1 ARG 3 3.330 5.885 -5.739
19 HG2 ARG 3 HG2 ARG 3 5.717 5.830 -6.382
20 HG3 ARG 3 HG1 ARG 3 5.646 4.065 -6.306
21 HD2 ARG 3 HD2 ARG 3 3.955 4.013 -7.985
22 HD3 ARG 3 HD1 ARG 3 3.851 5.773 -7.986
23 HE ARG 3 HE ARG 3 6.451 4.650 -8.618
24 HH11 ARG 3 HH11 ARG 3 3.429 5.911 -9.903
25 HH12 ARG 3 HH12 ARG 3 4.107 6.327 -11.434
26 HH21 ARG 3 HH21 ARG 3 7.345 5.203 -10.658
27 HH22 ARG 3 HH22 ARG 3 6.340 5.919 -11.868
28 H SER 4 HN SER 4 6.309 5.836 -2.521
29 HA SER 4 HA SER 4 6.452 8.639 -3.043
30 HB2 SER 4 HB2 SER 4 8.410 6.841 -1.596
31 HB3 SER 4 HB1 SER 4 8.386 8.603 -1.536
32 HG SER 4 HG SER 4 6.675 8.565 -0.275
33 HA PRO 5 HA PRO 5 8.975 8.200 -6.704
34 HB2 PRO 5 HB2 PRO 5 9.512 10.817 -7.051
35 HB3 PRO 5 HB1 PRO 5 7.955 10.089 -7.481
36 HG2 PRO 5 HG2 PRO 5 8.722 11.697 -5.078
37 HG3 PRO 5 HG1 PRO 5 7.219 11.737 -6.014
38 HD2 PRO 5 HD2 PRO 5 7.462 10.450 -3.630
39 HD3 PRO 5 HD1 PRO 5 6.336 9.940 -4.906
40 H CYS 6 HN CYS 6 10.426 7.430 -4.616
41 HA CYS 6 HA CYS 6 13.034 8.403 -5.262
42 HB2 CYS 6 HB2 CYS 6 12.226 10.138 -3.681
43 HB3 CYS 6 HB1 CYS 6 12.017 8.889 -2.458
44 HA PRO 7 HA PRO 7 14.111 7.086 -6.291
45 HB2 PRO 7 HB2 PRO 7 14.183 4.764 -7.676
46 HB3 PRO 7 HB1 PRO 7 15.427 5.192 -6.494
47 HG2 PRO 7 HG2 PRO 7 13.046 3.404 -6.173
48 HG3 PRO 7 HG1 PRO 7 14.722 3.134 -5.658
49 HD2 PRO 7 HD2 PRO 7 12.798 3.976 -3.954
50 HD3 PRO 7 HD1 PRO 7 14.497 4.466 -3.792
51 HA PRO 8 HA PRO 8 14.502 6.811 -8.364
52 HB2 PRO 8 HB2 PRO 8 14.179 7.040 -10.927
53 HB3 PRO 8 HB1 PRO 8 13.721 5.500 -10.180
54 HG2 PRO 8 HG2 PRO 8 11.974 7.745 -11.100
55 HG3 PRO 8 HG1 PRO 8 11.669 6.017 -11.221
56 HD2 PRO 8 HD2 PRO 8 10.769 7.786 -9.179
57 HD3 PRO 8 HD1 PRO 8 10.610 6.030 -9.178
58 H PHE 9 HN PHE 9 12.739 9.089 -7.322
59 HA PHE 9 HA PHE 9 14.075 11.030 -9.008
60 HB2 PHE 9 HB2 PHE 9 11.325 11.478 -7.817
61 HB3 PHE 9 HB1 PHE 9 12.226 12.650 -8.763
62 HD1 PHE 9 HD1 PHE 9 9.470 10.834 -9.005
63 HD2 PHE 9 HD2 PHE 9 13.202 11.166 -11.032
64 HE1 PHE 9 HE1 PHE 9 8.452 9.893 -11.037
65 HE2 PHE 9 HE2 PHE 9 12.182 10.237 -13.067
66 HZ PHE 9 HZ PHE 9 9.807 9.596 -13.071
67 H CYS 10 HN CYS 10 15.709 10.816 -7.393
68 HA CYS 10 HA CYS 10 15.411 12.971 -5.461
69 HB2 CYS 10 HB2 CYS 10 16.163 10.164 -4.794
70 HB3 CYS 10 HB1 CYS 10 16.994 11.465 -3.949
71 HN1 NH2 11 H1 CYS 10 16.636 14.295 -6.667
72 HN2 NH2 11 H2 CYS 10 18.299 14.013 -7.045
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 2.670 -1.362 1.138
2 H2 GLY 1 HT2 GLY 1 3.052 -2.957 0.719
3 H3 GLY 1 HT3 GLY 1 1.734 -2.189 -0.005
4 HA2 GLY 1 HA1 GLY 1 4.578 -1.453 -0.335
5 HA3 GLY 1 HA2 GLY 1 3.585 -2.290 -1.519
6 H PHE 2 HN PHE 2 4.726 0.675 -0.517
7 HA PHE 2 HA PHE 2 2.682 2.085 -2.064
8 HB2 PHE 2 HB2 PHE 2 2.754 2.745 0.330
9 HB3 PHE 2 HB1 PHE 2 4.465 3.123 0.148
10 HD1 PHE 2 HD1 PHE 2 1.061 4.208 -0.539
11 HD2 PHE 2 HD2 PHE 2 5.186 5.065 -1.075
12 HE1 PHE 2 HE1 PHE 2 0.488 6.510 -1.208
13 HE2 PHE 2 HE2 PHE 2 4.628 7.373 -1.741
14 HZ PHE 2 HZ PHE 2 2.275 8.095 -1.808
15 H ARG 3 HN ARG 3 3.434 3.060 -3.888
16 HA ARG 3 HA ARG 3 6.232 2.870 -4.446
17 HB2 ARG 3 HB2 ARG 3 4.556 2.286 -6.064
18 HB3 ARG 3 HB1 ARG 3 3.897 3.913 -5.961
19 HG2 ARG 3 HG2 ARG 3 6.014 4.799 -6.817
20 HG3 ARG 3 HG1 ARG 3 6.602 3.145 -7.003
21 HD2 ARG 3 HD2 ARG 3 4.913 2.638 -8.568
22 HD3 ARG 3 HD1 ARG 3 4.089 4.166 -8.253
23 HE ARG 3 HE ARG 3 6.497 4.994 -9.076
24 HH11 ARG 3 HH11 ARG 3 4.266 2.674 -10.472
25 HH12 ARG 3 HH12 ARG 3 4.764 2.985 -12.096
26 HH21 ARG 3 HH21 ARG 3 7.161 5.407 -11.218
27 HH22 ARG 3 HH22 ARG 3 6.423 4.548 -12.523
28 H SER 4 HN SER 4 7.195 4.394 -3.105
29 HA SER 4 HA SER 4 6.445 7.185 -3.336
30 HB2 SER 4 HB2 SER 4 7.312 6.324 -1.181
31 HB3 SER 4 HB1 SER 4 8.826 5.885 -1.966
32 HG SER 4 HG SER 4 7.917 8.348 -1.118
33 HA PRO 5 HA PRO 5 8.960 7.741 -6.993
34 HB2 PRO 5 HB2 PRO 5 8.999 10.432 -7.026
35 HB3 PRO 5 HB1 PRO 5 7.583 9.486 -7.517
36 HG2 PRO 5 HG2 PRO 5 8.148 10.900 -4.939
37 HG3 PRO 5 HG1 PRO 5 6.630 10.804 -5.850
38 HD2 PRO 5 HD2 PRO 5 7.138 9.289 -3.661
39 HD3 PRO 5 HD1 PRO 5 6.106 8.746 -4.999
40 H CYS 6 HN CYS 6 10.403 7.295 -4.553
41 HA CYS 6 HA CYS 6 12.886 8.568 -5.286
42 HB2 CYS 6 HB2 CYS 6 11.950 10.253 -3.798
43 HB3 CYS 6 HB1 CYS 6 11.627 9.036 -2.571
44 HA PRO 7 HA PRO 7 14.123 7.332 -6.336
45 HB2 PRO 7 HB2 PRO 7 14.443 4.976 -7.634
46 HB3 PRO 7 HB1 PRO 7 15.651 5.601 -6.504
47 HG2 PRO 7 HG2 PRO 7 13.501 3.564 -6.042
48 HG3 PRO 7 HG1 PRO 7 15.211 3.505 -5.574
49 HD2 PRO 7 HD2 PRO 7 13.270 4.187 -3.831
50 HD3 PRO 7 HD1 PRO 7 14.895 4.899 -3.762
51 HA PRO 8 HA PRO 8 14.513 6.849 -8.520
52 HB2 PRO 8 HB2 PRO 8 14.021 7.120 -11.043
53 HB3 PRO 8 HB1 PRO 8 13.657 5.549 -10.304
54 HG2 PRO 8 HG2 PRO 8 11.783 7.792 -10.986
55 HG3 PRO 8 HG1 PRO 8 11.551 6.065 -11.259
56 HD2 PRO 8 HD2 PRO 8 10.608 7.533 -9.054
57 HD3 PRO 8 HD1 PRO 8 10.704 5.774 -9.137
58 H PHE 9 HN PHE 9 12.732 9.053 -7.335
59 HA PHE 9 HA PHE 9 13.998 11.062 -8.996
60 HB2 PHE 9 HB2 PHE 9 11.263 11.459 -7.744
61 HB3 PHE 9 HB1 PHE 9 12.135 12.646 -8.701
62 HD1 PHE 9 HD1 PHE 9 9.433 10.648 -8.849
63 HD2 PHE 9 HD2 PHE 9 13.016 11.353 -11.045
64 HE1 PHE 9 HE1 PHE 9 8.382 9.726 -10.873
65 HE2 PHE 9 HE2 PHE 9 11.961 10.442 -13.070
66 HZ PHE 9 HZ PHE 9 9.641 9.625 -12.984
67 H CYS 10 HN CYS 10 15.653 10.795 -7.418
68 HA CYS 10 HA CYS 10 15.498 12.930 -5.477
69 HB2 CYS 10 HB2 CYS 10 15.837 10.066 -4.708
70 HB3 CYS 10 HB1 CYS 10 16.778 11.272 -3.842
71 HN1 NH2 11 H1 CYS 10 16.942 13.991 -6.789
72 HN2 NH2 11 H2 CYS 10 18.592 13.505 -6.966
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 2.932 -1.879 0.490
2 H2 GLY 1 HT2 GLY 1 4.321 -2.622 1.105
3 H3 GLY 1 HT3 GLY 1 4.327 -1.969 -0.455
4 HA2 GLY 1 HA1 GLY 1 4.011 -0.416 2.044
5 HA3 GLY 1 HA2 GLY 1 5.493 -0.544 1.108
6 H PHE 2 HN PHE 2 4.819 1.928 1.428
7 HA PHE 2 HA PHE 2 3.023 2.833 -0.647
8 HB2 PHE 2 HB2 PHE 2 3.198 3.905 1.642
9 HB3 PHE 2 HB1 PHE 2 4.812 4.442 1.179
10 HD1 PHE 2 HD1 PHE 2 1.273 4.996 0.859
11 HD2 PHE 2 HD2 PHE 2 5.096 6.083 -0.625
12 HE1 PHE 2 HE1 PHE 2 0.291 7.009 -0.176
13 HE2 PHE 2 HE2 PHE 2 4.140 8.090 -1.662
14 HZ PHE 2 HZ PHE 2 1.728 8.561 -1.441
15 H ARG 3 HN ARG 3 3.730 3.261 -2.679
16 HA ARG 3 HA ARG 3 6.551 3.263 -3.203
17 HB2 ARG 3 HB2 ARG 3 4.930 2.082 -4.575
18 HB3 ARG 3 HB1 ARG 3 4.165 3.621 -4.945
19 HG2 ARG 3 HG2 ARG 3 6.257 4.360 -6.017
20 HG3 ARG 3 HG1 ARG 3 6.929 2.751 -5.735
21 HD2 ARG 3 HD2 ARG 3 5.199 1.749 -7.044
22 HD3 ARG 3 HD1 ARG 3 4.404 3.308 -7.241
23 HE ARG 3 HE ARG 3 6.924 3.682 -8.247
24 HH11 ARG 3 HH11 ARG 3 4.265 1.510 -8.957
25 HH12 ARG 3 HH12 ARG 3 4.697 1.304 -10.616
26 HH21 ARG 3 HH21 ARG 3 7.493 3.427 -10.470
27 HH22 ARG 3 HH22 ARG 3 6.540 2.398 -11.474
28 H SER 4 HN SER 4 7.335 5.186 -2.374
29 HA SER 4 HA SER 4 6.232 7.701 -3.327
30 HB2 SER 4 HB2 SER 4 8.605 7.101 -1.542
31 HB3 SER 4 HB1 SER 4 8.037 8.721 -1.937
32 HG SER 4 HG SER 4 7.064 6.903 -0.141
33 HA PRO 5 HA PRO 5 8.903 8.005 -6.853
34 HB2 PRO 5 HB2 PRO 5 9.284 10.684 -6.971
35 HB3 PRO 5 HB1 PRO 5 7.788 9.885 -7.484
36 HG2 PRO 5 HG2 PRO 5 8.422 11.308 -4.925
37 HG3 PRO 5 HG1 PRO 5 6.933 11.352 -5.886
38 HD2 PRO 5 HD2 PRO 5 7.165 9.874 -3.643
39 HD3 PRO 5 HD1 PRO 5 6.170 9.366 -5.023
40 H CYS 6 HN CYS 6 10.355 7.416 -4.474
41 HA CYS 6 HA CYS 6 12.939 8.442 -5.272
42 HB2 CYS 6 HB2 CYS 6 12.132 10.162 -3.708
43 HB3 CYS 6 HB1 CYS 6 11.899 8.930 -2.473
44 HA PRO 7 HA PRO 7 14.122 7.200 -6.295
45 HB2 PRO 7 HB2 PRO 7 13.945 4.441 -7.297
46 HB3 PRO 7 HB1 PRO 7 15.360 5.489 -7.174
47 HG2 PRO 7 HG2 PRO 7 15.052 3.340 -5.588
48 HG3 PRO 7 HG1 PRO 7 15.835 4.825 -5.017
49 HD2 PRO 7 HD2 PRO 7 13.027 3.874 -4.567
50 HD3 PRO 7 HD1 PRO 7 14.178 4.575 -3.408
51 HA PRO 8 HA PRO 8 14.488 6.803 -8.471
52 HB2 PRO 8 HB2 PRO 8 14.045 7.054 -11.011
53 HB3 PRO 8 HB1 PRO 8 13.627 5.505 -10.255
54 HG2 PRO 8 HG2 PRO 8 11.829 7.768 -11.045
55 HG3 PRO 8 HG1 PRO 8 11.537 6.041 -11.222
56 HD2 PRO 8 HD2 PRO 8 10.669 7.695 -9.095
57 HD3 PRO 8 HD1 PRO 8 10.603 5.932 -9.121
58 H PHE 9 HN PHE 9 12.751 9.073 -7.342
59 HA PHE 9 HA PHE 9 14.067 11.041 -9.015
60 HB2 PHE 9 HB2 PHE 9 11.331 11.496 -7.791
61 HB3 PHE 9 HB1 PHE 9 12.229 12.657 -8.754
62 HD1 PHE 9 HD1 PHE 9 9.464 10.808 -8.921
63 HD2 PHE 9 HD2 PHE 9 13.127 11.224 -11.056
64 HE1 PHE 9 HE1 PHE 9 8.397 9.889 -10.936
65 HE2 PHE 9 HE2 PHE 9 12.059 10.317 -13.075
66 HZ PHE 9 HZ PHE 9 9.693 9.644 -13.018
67 H CYS 10 HN CYS 10 15.716 10.808 -7.400
68 HA CYS 10 HA CYS 10 15.434 12.963 -5.463
69 HB2 CYS 10 HB2 CYS 10 16.101 10.142 -4.753
70 HB3 CYS 10 HB1 CYS 10 16.929 11.436 -3.895
71 HN1 NH2 11 H1 CYS 10 16.696 14.183 -6.830
72 HN2 NH2 11 H2 CYS 10 18.383 13.895 -7.052
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -1.735 0.383 -2.482
2 H2 GLY 1 HT2 GLY 1 -1.264 -1.105 -3.134
3 H3 GLY 1 HT3 GLY 1 -1.550 0.214 -4.153
4 HA2 GLY 1 HA1 GLY 1 0.617 0.015 -2.152
5 HA3 GLY 1 HA2 GLY 1 0.813 -0.159 -3.890
6 H PHE 2 HN PHE 2 2.369 1.673 -2.876
7 HA PHE 2 HA PHE 2 1.102 4.193 -3.622
8 HB2 PHE 2 HB2 PHE 2 1.288 4.058 -1.154
9 HB3 PHE 2 HB1 PHE 2 3.012 3.741 -1.326
10 HD1 PHE 2 HD1 PHE 2 0.391 6.263 -1.541
11 HD2 PHE 2 HD2 PHE 2 4.541 5.464 -1.910
12 HE1 PHE 2 HE1 PHE 2 0.848 8.679 -1.479
13 HE2 PHE 2 HE2 PHE 2 5.021 7.887 -1.841
14 HZ PHE 2 HZ PHE 2 3.169 9.494 -1.626
15 H ARG 3 HN ARG 3 2.286 5.275 -5.137
16 HA ARG 3 HA ARG 3 4.834 4.208 -5.905
17 HB2 ARG 3 HB2 ARG 3 3.148 4.891 -7.514
18 HB3 ARG 3 HB1 ARG 3 3.223 6.524 -6.864
19 HG2 ARG 3 HG2 ARG 3 5.647 6.552 -7.504
20 HG3 ARG 3 HG1 ARG 3 5.343 5.051 -8.386
21 HD2 ARG 3 HD2 ARG 3 3.615 6.156 -9.666
22 HD3 ARG 3 HD1 ARG 3 3.916 7.652 -8.786
23 HE ARG 3 HE ARG 3 6.116 6.425 -10.287
24 HH11 ARG 3 HH11 ARG 3 3.853 9.081 -9.921
25 HH12 ARG 3 HH12 ARG 3 4.624 10.082 -11.099
26 HH21 ARG 3 HH21 ARG 3 7.152 7.758 -11.847
27 HH22 ARG 3 HH22 ARG 3 6.517 9.329 -12.188
28 H SER 4 HN SER 4 6.233 4.747 -4.242
29 HA SER 4 HA SER 4 6.540 7.496 -3.424
30 HB2 SER 4 HB2 SER 4 6.966 5.598 -1.851
31 HB3 SER 4 HB1 SER 4 8.323 5.105 -2.861
32 HG SER 4 HG SER 4 9.293 6.341 -1.417
33 HA PRO 5 HA PRO 5 9.115 8.073 -7.076
34 HB2 PRO 5 HB2 PRO 5 9.210 10.736 -6.990
35 HB3 PRO 5 HB1 PRO 5 7.770 9.860 -7.537
36 HG2 PRO 5 HG2 PRO 5 8.327 11.171 -4.907
37 HG3 PRO 5 HG1 PRO 5 6.820 11.133 -5.838
38 HD2 PRO 5 HD2 PRO 5 7.349 9.512 -3.682
39 HD3 PRO 5 HD1 PRO 5 6.204 9.116 -4.980
40 H CYS 6 HN CYS 6 10.463 7.283 -4.772
41 HA CYS 6 HA CYS 6 12.983 8.565 -5.199
42 HB2 CYS 6 HB2 CYS 6 11.877 10.167 -3.650
43 HB3 CYS 6 HB1 CYS 6 11.714 8.872 -2.468
44 HA PRO 7 HA PRO 7 14.117 7.291 -6.308
45 HB2 PRO 7 HB2 PRO 7 14.408 4.955 -7.650
46 HB3 PRO 7 HB1 PRO 7 15.619 5.534 -6.498
47 HG2 PRO 7 HG2 PRO 7 13.439 3.521 -6.102
48 HG3 PRO 7 HG1 PRO 7 15.141 3.434 -5.611
49 HD2 PRO 7 HD2 PRO 7 13.170 4.105 -3.890
50 HD3 PRO 7 HD1 PRO 7 14.808 4.778 -3.770
51 HA PRO 8 HA PRO 8 14.496 6.836 -8.491
52 HB2 PRO 8 HB2 PRO 8 14.015 7.088 -11.021
53 HB3 PRO 8 HB1 PRO 8 13.641 5.527 -10.269
54 HG2 PRO 8 HG2 PRO 8 11.782 7.757 -11.016
55 HG3 PRO 8 HG1 PRO 8 11.530 6.023 -11.211
56 HD2 PRO 8 HD2 PRO 8 10.642 7.627 -9.059
57 HD3 PRO 8 HD1 PRO 8 10.631 5.867 -9.095
58 H PHE 9 HN PHE 9 12.739 9.068 -7.327
59 HA PHE 9 HA PHE 9 14.018 11.050 -9.016
60 HB2 PHE 9 HB2 PHE 9 11.280 11.470 -7.783
61 HB3 PHE 9 HB1 PHE 9 12.160 12.647 -8.745
62 HD1 PHE 9 HD1 PHE 9 9.441 10.710 -8.891
63 HD2 PHE 9 HD2 PHE 9 13.055 11.282 -11.069
64 HE1 PHE 9 HE1 PHE 9 8.379 9.770 -10.899
65 HE2 PHE 9 HE2 PHE 9 11.993 10.356 -13.082
66 HZ PHE 9 HZ PHE 9 9.652 9.595 -12.996
67 H CYS 10 HN CYS 10 15.671 10.834 -7.423
68 HA CYS 10 HA CYS 10 15.491 12.990 -5.515
69 HB2 CYS 10 HB2 CYS 10 15.878 10.140 -4.677
70 HB3 CYS 10 HB1 CYS 10 16.703 11.421 -3.797
71 HN1 NH2 11 H1 CYS 10 16.991 14.055 -6.706
72 HN2 NH2 11 H2 CYS 10 18.625 13.527 -6.899
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -0.801 2.277 -0.292
2 H2 GLY 1 HT2 GLY 1 -1.132 0.705 -0.819
3 H3 GLY 1 HT3 GLY 1 -1.644 2.029 -1.730
4 HA2 GLY 1 HA1 GLY 1 1.167 1.280 -1.241
5 HA3 GLY 1 HA2 GLY 1 0.281 1.004 -2.734
6 H PHE 2 HN PHE 2 1.663 3.436 -0.616
7 HA PHE 2 HA PHE 2 1.066 5.574 -2.467
8 HB2 PHE 2 HB2 PHE 2 0.999 5.766 0.069
9 HB3 PHE 2 HB1 PHE 2 2.755 5.651 0.024
10 HD1 PHE 2 HD1 PHE 2 -0.091 7.764 -0.350
11 HD2 PHE 2 HD2 PHE 2 4.059 7.416 -1.181
12 HE1 PHE 2 HE1 PHE 2 0.039 10.205 -0.684
13 HE2 PHE 2 HE2 PHE 2 4.207 9.844 -1.512
14 HZ PHE 2 HZ PHE 2 2.195 11.248 -1.266
15 H ARG 3 HN ARG 3 2.379 5.882 -4.179
16 HA ARG 3 HA ARG 3 5.103 4.938 -4.036
17 HB2 ARG 3 HB2 ARG 3 3.382 6.065 -6.155
18 HB3 ARG 3 HB1 ARG 3 5.123 5.988 -6.378
19 HG2 ARG 3 HG2 ARG 3 3.305 3.668 -5.810
20 HG3 ARG 3 HG1 ARG 3 4.033 4.057 -7.373
21 HD2 ARG 3 HD2 ARG 3 5.422 3.203 -4.839
22 HD3 ARG 3 HD1 ARG 3 5.326 2.322 -6.359
23 HE ARG 3 HE ARG 3 6.590 4.586 -7.109
24 HH11 ARG 3 HH11 ARG 3 7.187 2.331 -4.489
25 HH12 ARG 3 HH12 ARG 3 8.887 2.636 -4.443
26 HH21 ARG 3 HH21 ARG 3 8.832 4.989 -7.041
27 HH22 ARG 3 HH22 ARG 3 9.831 4.145 -5.915
28 H SER 4 HN SER 4 6.198 6.257 -2.676
29 HA SER 4 HA SER 4 6.314 9.088 -3.244
30 HB2 SER 4 HB2 SER 4 8.011 7.362 -1.414
31 HB3 SER 4 HB1 SER 4 8.117 9.120 -1.522
32 HG SER 4 HG SER 4 5.884 7.573 -0.696
33 HA PRO 5 HA PRO 5 9.104 8.331 -6.626
34 HB2 PRO 5 HB2 PRO 5 9.743 10.912 -7.111
35 HB3 PRO 5 HB1 PRO 5 8.224 10.167 -7.638
36 HG2 PRO 5 HG2 PRO 5 8.785 11.891 -5.257
37 HG3 PRO 5 HG1 PRO 5 7.398 11.946 -6.365
38 HD2 PRO 5 HD2 PRO 5 7.261 10.785 -3.938
39 HD3 PRO 5 HD1 PRO 5 6.357 10.154 -5.331
40 H CYS 6 HN CYS 6 10.526 7.428 -4.864
41 HA CYS 6 HA CYS 6 13.138 8.383 -5.244
42 HB2 CYS 6 HB2 CYS 6 12.252 10.095 -3.634
43 HB3 CYS 6 HB1 CYS 6 12.114 8.805 -2.443
44 HA PRO 7 HA PRO 7 14.106 7.036 -6.302
45 HB2 PRO 7 HB2 PRO 7 13.726 4.328 -7.354
46 HB3 PRO 7 HB1 PRO 7 15.223 5.241 -7.166
47 HG2 PRO 7 HG2 PRO 7 14.650 3.081 -5.652
48 HG3 PRO 7 HG1 PRO 7 15.597 4.451 -5.043
49 HD2 PRO 7 HD2 PRO 7 12.705 3.809 -4.618
50 HD3 PRO 7 HD1 PRO 7 13.918 4.372 -3.448
51 HA PRO 8 HA PRO 8 14.439 6.746 -8.401
52 HB2 PRO 8 HB2 PRO 8 14.054 7.010 -10.948
53 HB3 PRO 8 HB1 PRO 8 13.590 5.470 -10.202
54 HG2 PRO 8 HG2 PRO 8 11.848 7.767 -11.028
55 HG3 PRO 8 HG1 PRO 8 11.532 6.041 -11.203
56 HD2 PRO 8 HD2 PRO 8 10.649 7.719 -9.092
57 HD3 PRO 8 HD1 PRO 8 10.550 5.958 -9.117
58 H PHE 9 HN PHE 9 12.773 9.088 -7.295
59 HA PHE 9 HA PHE 9 14.160 10.977 -8.998
60 HB2 PHE 9 HB2 PHE 9 11.366 11.498 -7.955
61 HB3 PHE 9 HB1 PHE 9 12.340 12.651 -8.846
62 HD1 PHE 9 HD1 PHE 9 9.587 10.841 -9.238
63 HD2 PHE 9 HD2 PHE 9 13.412 11.197 -11.070
64 HE1 PHE 9 HE1 PHE 9 8.670 9.922 -11.329
65 HE2 PHE 9 HE2 PHE 9 12.499 10.293 -13.167
66 HZ PHE 9 HZ PHE 9 10.125 9.650 -13.297
67 H CYS 10 HN CYS 10 15.752 10.832 -7.342
68 HA CYS 10 HA CYS 10 15.376 13.013 -5.436
69 HB2 CYS 10 HB2 CYS 10 16.241 10.240 -4.761
70 HB3 CYS 10 HB1 CYS 10 16.989 11.584 -3.908
71 HN1 NH2 11 H1 CYS 10 16.532 14.281 -6.862
72 HN2 NH2 11 H2 CYS 10 18.235 14.099 -7.090
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 2.143 0.087 1.399
2 H2 GLY 1 HT2 GLY 1 2.394 -1.559 1.107
3 H3 GLY 1 HT3 GLY 1 1.200 -0.719 0.252
4 HA2 GLY 1 HA1 GLY 1 4.115 -0.262 0.066
5 HA3 GLY 1 HA2 GLY 1 3.123 -1.083 -1.131
6 H PHE 2 HN PHE 2 4.153 1.955 0.139
7 HA PHE 2 HA PHE 2 2.363 3.410 -1.646
8 HB2 PHE 2 HB2 PHE 2 2.562 4.143 0.727
9 HB3 PHE 2 HB1 PHE 2 4.281 4.413 0.467
10 HD1 PHE 2 HD1 PHE 2 0.947 5.708 0.017
11 HD2 PHE 2 HD2 PHE 2 5.031 6.220 -1.024
12 HE1 PHE 2 HE1 PHE 2 0.464 8.009 -0.714
13 HE2 PHE 2 HE2 PHE 2 4.565 8.523 -1.755
14 HZ PHE 2 HZ PHE 2 2.274 9.420 -1.600
15 H ARG 3 HN ARG 3 3.133 4.115 -3.571
16 HA ARG 3 HA ARG 3 5.916 3.757 -4.135
17 HB2 ARG 3 HB2 ARG 3 3.473 4.321 -5.659
18 HB3 ARG 3 HB1 ARG 3 4.989 4.882 -6.351
19 HG2 ARG 3 HG2 ARG 3 4.333 2.053 -5.568
20 HG3 ARG 3 HG1 ARG 3 4.409 2.686 -7.216
21 HD2 ARG 3 HD2 ARG 3 6.669 2.451 -5.241
22 HD3 ARG 3 HD1 ARG 3 6.457 1.514 -6.716
23 HE ARG 3 HE ARG 3 6.640 3.844 -7.832
24 HH11 ARG 3 HH11 ARG 3 8.433 2.810 -4.995
25 HH12 ARG 3 HH12 ARG 3 9.750 3.888 -5.294
26 HH21 ARG 3 HH21 ARG 3 8.390 5.267 -8.208
27 HH22 ARG 3 HH22 ARG 3 9.728 5.275 -7.104
28 H SER 4 HN SER 4 6.931 5.248 -2.921
29 HA SER 4 HA SER 4 6.445 8.062 -3.359
30 HB2 SER 4 HB2 SER 4 8.723 6.675 -1.925
31 HB3 SER 4 HB1 SER 4 8.339 8.393 -1.846
32 HG SER 4 HG SER 4 7.351 6.366 -0.395
33 HA PRO 5 HA PRO 5 9.068 8.087 -6.964
34 HB2 PRO 5 HB2 PRO 5 9.428 10.758 -7.137
35 HB3 PRO 5 HB1 PRO 5 7.937 9.947 -7.645
36 HG2 PRO 5 HG2 PRO 5 8.548 11.428 -5.121
37 HG3 PRO 5 HG1 PRO 5 7.067 11.448 -6.094
38 HD2 PRO 5 HD2 PRO 5 7.305 10.018 -3.810
39 HD3 PRO 5 HD1 PRO 5 6.288 9.500 -5.170
40 H CYS 6 HN CYS 6 10.462 7.413 -4.687
41 HA CYS 6 HA CYS 6 13.054 8.446 -5.313
42 HB2 CYS 6 HB2 CYS 6 12.243 10.226 -3.843
43 HB3 CYS 6 HB1 CYS 6 11.871 9.041 -2.598
44 HA PRO 7 HA PRO 7 14.129 7.112 -6.338
45 HB2 PRO 7 HB2 PRO 7 13.840 4.345 -7.265
46 HB3 PRO 7 HB1 PRO 7 15.297 5.335 -7.164
47 HG2 PRO 7 HG2 PRO 7 14.881 3.225 -5.534
48 HG3 PRO 7 HG1 PRO 7 15.761 4.671 -5.007
49 HD2 PRO 7 HD2 PRO 7 12.916 3.891 -4.487
50 HD3 PRO 7 HD1 PRO 7 14.118 4.571 -3.369
51 HA PRO 8 HA PRO 8 14.439 6.763 -8.489
52 HB2 PRO 8 HB2 PRO 8 13.966 7.050 -11.010
53 HB3 PRO 8 HB1 PRO 8 13.512 5.504 -10.271
54 HG2 PRO 8 HG2 PRO 8 11.763 7.851 -10.950
55 HG3 PRO 8 HG1 PRO 8 11.442 6.138 -11.237
56 HD2 PRO 8 HD2 PRO 8 10.574 7.639 -9.014
57 HD3 PRO 8 HD1 PRO 8 10.566 5.878 -9.112
58 H PHE 9 HN PHE 9 12.764 9.080 -7.304
59 HA PHE 9 HA PHE 9 14.123 11.011 -8.984
60 HB2 PHE 9 HB2 PHE 9 11.349 11.507 -7.866
61 HB3 PHE 9 HB1 PHE 9 12.307 12.678 -8.757
62 HD1 PHE 9 HD1 PHE 9 9.554 10.819 -9.092
63 HD2 PHE 9 HD2 PHE 9 13.299 11.330 -11.047
64 HE1 PHE 9 HE1 PHE 9 8.586 9.950 -11.175
65 HE2 PHE 9 HE2 PHE 9 12.330 10.473 -13.137
66 HZ PHE 9 HZ PHE 9 9.973 9.782 -13.201
67 H CYS 10 HN CYS 10 15.739 10.829 -7.370
68 HA CYS 10 HA CYS 10 15.393 12.946 -5.405
69 HB2 CYS 10 HB2 CYS 10 16.069 10.126 -4.756
70 HB3 CYS 10 HB1 CYS 10 16.993 11.373 -3.928
71 HN1 NH2 11 H1 CYS 10 16.581 14.178 -6.861
72 HN2 NH2 11 H2 CYS 10 18.279 13.954 -7.081
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 3.062 -0.227 1.927
2 H2 GLY 1 HT2 GLY 1 2.204 -1.660 1.663
3 H3 GLY 1 HT3 GLY 1 1.373 -0.219 1.929
4 HA2 GLY 1 HA1 GLY 1 3.091 -0.803 -0.405
5 HA3 GLY 1 HA2 GLY 1 1.335 -0.827 -0.399
6 H PHE 2 HN PHE 2 4.175 1.234 -0.019
7 HA PHE 2 HA PHE 2 2.581 3.475 -0.999
8 HB2 PHE 2 HB2 PHE 2 3.028 3.638 1.484
9 HB3 PHE 2 HB1 PHE 2 4.746 3.652 1.095
10 HD1 PHE 2 HD1 PHE 2 1.923 5.625 1.700
11 HD2 PHE 2 HD2 PHE 2 5.490 5.484 -0.590
12 HE1 PHE 2 HE1 PHE 2 1.842 8.077 1.449
13 HE2 PHE 2 HE2 PHE 2 5.429 7.942 -0.851
14 HZ PHE 2 HZ PHE 2 3.602 9.237 0.170
15 H ARG 3 HN ARG 3 3.419 3.558 -3.059
16 HA ARG 3 HA ARG 3 6.249 3.228 -3.422
17 HB2 ARG 3 HB2 ARG 3 4.601 2.315 -4.951
18 HB3 ARG 3 HB1 ARG 3 4.054 3.949 -5.296
19 HG2 ARG 3 HG2 ARG 3 6.215 4.494 -6.246
20 HG3 ARG 3 HG1 ARG 3 6.794 2.865 -5.879
21 HD2 ARG 3 HD2 ARG 3 5.054 1.934 -7.287
22 HD3 ARG 3 HD1 ARG 3 4.489 3.560 -7.664
23 HE ARG 3 HE ARG 3 7.204 3.428 -8.313
24 HH11 ARG 3 HH11 ARG 3 4.184 2.023 -9.409
25 HH12 ARG 3 HH12 ARG 3 4.721 1.801 -11.035
26 HH21 ARG 3 HH21 ARG 3 7.928 3.112 -10.471
27 HH22 ARG 3 HH22 ARG 3 6.864 2.422 -11.642
28 H SER 4 HN SER 4 7.179 4.973 -2.426
29 HA SER 4 HA SER 4 6.422 7.670 -3.116
30 HB2 SER 4 HB2 SER 4 7.386 7.035 -0.874
31 HB3 SER 4 HB1 SER 4 8.911 6.682 -1.679
32 HG SER 4 HG SER 4 7.592 9.203 -1.546
33 HA PRO 5 HA PRO 5 8.884 7.815 -6.844
34 HB2 PRO 5 HB2 PRO 5 9.180 10.487 -7.049
35 HB3 PRO 5 HB1 PRO 5 7.669 9.652 -7.454
36 HG2 PRO 5 HG2 PRO 5 8.431 11.158 -4.982
37 HG3 PRO 5 HG1 PRO 5 6.885 11.149 -5.849
38 HD2 PRO 5 HD2 PRO 5 7.307 9.736 -3.582
39 HD3 PRO 5 HD1 PRO 5 6.206 9.199 -4.867
40 H CYS 6 HN CYS 6 10.354 7.397 -4.425
41 HA CYS 6 HA CYS 6 12.905 8.468 -5.276
42 HB2 CYS 6 HB2 CYS 6 12.060 10.185 -3.742
43 HB3 CYS 6 HB1 CYS 6 11.808 8.968 -2.496
44 HA PRO 7 HA PRO 7 14.111 7.242 -6.284
45 HB2 PRO 7 HB2 PRO 7 14.030 4.496 -7.298
46 HB3 PRO 7 HB1 PRO 7 15.417 5.572 -7.116
47 HG2 PRO 7 HG2 PRO 7 15.080 3.390 -5.567
48 HG3 PRO 7 HG1 PRO 7 15.854 4.868 -4.971
49 HD2 PRO 7 HD2 PRO 7 13.044 3.909 -4.572
50 HD3 PRO 7 HD1 PRO 7 14.171 4.609 -3.390
51 HA PRO 8 HA PRO 8 14.540 6.858 -8.435
52 HB2 PRO 8 HB2 PRO 8 14.161 7.108 -10.982
53 HB3 PRO 8 HB1 PRO 8 13.744 5.548 -10.247
54 HG2 PRO 8 HG2 PRO 8 11.938 7.802 -11.050
55 HG3 PRO 8 HG1 PRO 8 11.679 6.075 -11.280
56 HD2 PRO 8 HD2 PRO 8 10.706 7.644 -9.144
57 HD3 PRO 8 HD1 PRO 8 10.714 5.882 -9.200
58 H PHE 9 HN PHE 9 12.714 9.078 -7.346
59 HA PHE 9 HA PHE 9 14.017 11.069 -9.000
60 HB2 PHE 9 HB2 PHE 9 11.276 11.459 -7.764
61 HB3 PHE 9 HB1 PHE 9 12.152 12.655 -8.706
62 HD1 PHE 9 HD1 PHE 9 9.437 10.712 -8.909
63 HD2 PHE 9 HD2 PHE 9 13.085 11.313 -11.031
64 HE1 PHE 9 HE1 PHE 9 8.409 9.795 -10.946
65 HE2 PHE 9 HE2 PHE 9 12.054 10.406 -13.070
66 HZ PHE 9 HZ PHE 9 9.713 9.643 -13.029
67 H CYS 10 HN CYS 10 15.658 10.787 -7.410
68 HA CYS 10 HA CYS 10 15.486 12.964 -5.503
69 HB2 CYS 10 HB2 CYS 10 16.029 10.120 -4.741
70 HB3 CYS 10 HB1 CYS 10 16.878 11.404 -3.890
71 HN1 NH2 11 H1 CYS 10 16.785 14.017 -7.008
72 HN2 NH2 11 H2 CYS 10 18.459 13.635 -7.206
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 2.313 0.343 -1.137
2 H2 GLY 1 HT2 GLY 1 1.819 -0.396 0.302
3 H3 GLY 1 HT3 GLY 1 2.737 1.019 0.351
4 HA2 GLY 1 HA1 GLY 1 -0.025 0.761 -0.693
5 HA3 GLY 1 HA2 GLY 1 0.432 1.497 0.835
6 H PHE 2 HN PHE 2 2.671 2.969 0.050
7 HA PHE 2 HA PHE 2 1.437 4.965 -1.692
8 HB2 PHE 2 HB2 PHE 2 1.847 5.610 0.682
9 HB3 PHE 2 HB1 PHE 2 3.557 5.274 0.440
10 HD1 PHE 2 HD1 PHE 2 0.837 7.592 -0.179
11 HD2 PHE 2 HD2 PHE 2 4.931 6.740 -0.907
12 HE1 PHE 2 HE1 PHE 2 1.180 9.919 -0.907
13 HE2 PHE 2 HE2 PHE 2 5.292 9.070 -1.637
14 HZ PHE 2 HZ PHE 2 3.414 10.660 -1.636
15 H ARG 3 HN ARG 3 2.466 5.417 -3.586
16 HA ARG 3 HA ARG 3 4.995 4.175 -4.146
17 HB2 ARG 3 HB2 ARG 3 3.255 4.223 -5.801
18 HB3 ARG 3 HB1 ARG 3 3.176 5.975 -5.673
19 HG2 ARG 3 HG2 ARG 3 5.561 6.030 -6.463
20 HG3 ARG 3 HG1 ARG 3 5.383 4.312 -6.839
21 HD2 ARG 3 HD2 ARG 3 3.661 4.737 -8.378
22 HD3 ARG 3 HD1 ARG 3 3.506 6.407 -7.833
23 HE ARG 3 HE ARG 3 6.088 5.676 -8.950
24 HH11 ARG 3 HH11 ARG 3 2.921 7.046 -9.608
25 HH12 ARG 3 HH12 ARG 3 3.455 7.959 -10.978
26 HH21 ARG 3 HH21 ARG 3 6.803 6.896 -10.764
27 HH22 ARG 3 HH22 ARG 3 5.672 7.882 -11.632
28 H SER 4 HN SER 4 6.475 5.265 -2.853
29 HA SER 4 HA SER 4 6.664 8.127 -2.928
30 HB2 SER 4 HB2 SER 4 7.396 6.797 -0.945
31 HB3 SER 4 HB1 SER 4 8.687 6.102 -1.922
32 HG SER 4 HG SER 4 9.736 7.763 -1.120
33 HA PRO 5 HA PRO 5 8.914 8.056 -6.808
34 HB2 PRO 5 HB2 PRO 5 9.309 10.717 -6.971
35 HB3 PRO 5 HB1 PRO 5 7.766 9.951 -7.379
36 HG2 PRO 5 HG2 PRO 5 8.587 11.414 -4.904
37 HG3 PRO 5 HG1 PRO 5 7.029 11.435 -5.749
38 HD2 PRO 5 HD2 PRO 5 7.504 9.993 -3.484
39 HD3 PRO 5 HD1 PRO 5 6.305 9.537 -4.712
40 H CYS 6 HN CYS 6 10.378 7.380 -4.541
41 HA CYS 6 HA CYS 6 12.967 8.405 -5.259
42 HB2 CYS 6 HB2 CYS 6 12.059 10.107 -3.676
43 HB3 CYS 6 HB1 CYS 6 11.939 8.850 -2.451
44 HA PRO 7 HA PRO 7 14.114 7.124 -6.269
45 HB2 PRO 7 HB2 PRO 7 13.892 4.399 -7.323
46 HB3 PRO 7 HB1 PRO 7 15.334 5.399 -7.133
47 HG2 PRO 7 HG2 PRO 7 14.886 3.213 -5.613
48 HG3 PRO 7 HG1 PRO 7 15.745 4.638 -5.001
49 HD2 PRO 7 HD2 PRO 7 12.893 3.822 -4.588
50 HD3 PRO 7 HD1 PRO 7 14.060 4.463 -3.411
51 HA PRO 8 HA PRO 8 14.508 6.837 -8.385
52 HB2 PRO 8 HB2 PRO 8 14.131 7.069 -10.944
53 HB3 PRO 8 HB1 PRO 8 13.741 5.516 -10.186
54 HG2 PRO 8 HG2 PRO 8 11.901 7.684 -11.101
55 HG3 PRO 8 HG1 PRO 8 11.648 5.944 -11.168
56 HD2 PRO 8 HD2 PRO 8 10.755 7.749 -9.148
57 HD3 PRO 8 HD1 PRO 8 10.610 5.993 -9.118
58 H PHE 9 HN PHE 9 12.749 9.117 -7.314
59 HA PHE 9 HA PHE 9 14.071 11.048 -9.030
60 HB2 PHE 9 HB2 PHE 9 11.345 11.550 -7.807
61 HB3 PHE 9 HB1 PHE 9 12.240 12.664 -8.830
62 HD1 PHE 9 HD1 PHE 9 9.486 10.757 -8.864
63 HD2 PHE 9 HD2 PHE 9 13.090 11.199 -11.084
64 HE1 PHE 9 HE1 PHE 9 8.407 9.741 -10.828
65 HE2 PHE 9 HE2 PHE 9 12.011 10.199 -13.049
66 HZ PHE 9 HZ PHE 9 9.672 9.465 -12.923
67 H CYS 10 HN CYS 10 15.699 10.792 -7.361
68 HA CYS 10 HA CYS 10 15.473 13.061 -5.552
69 HB2 CYS 10 HB2 CYS 10 16.177 10.269 -4.679
70 HB3 CYS 10 HB1 CYS 10 16.828 11.664 -3.832
71 HN1 NH2 11 H1 CYS 10 16.820 14.189 -6.880
72 HN2 NH2 11 H2 CYS 10 18.478 13.781 -7.133
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 1.186 0.329 0.359
2 H2 GLY 1 HT2 GLY 1 1.127 -1.324 0.008
3 H3 GLY 1 HT3 GLY 1 0.101 -0.251 -0.802
4 HA2 GLY 1 HA1 GLY 1 3.047 -0.326 -1.016
5 HA3 GLY 1 HA2 GLY 1 1.918 -0.922 -2.224
6 H PHE 2 HN PHE 2 3.093 1.952 -0.573
7 HA PHE 2 HA PHE 2 1.719 3.714 -2.408
8 HB2 PHE 2 HB2 PHE 2 1.953 4.181 0.047
9 HB3 PHE 2 HB1 PHE 2 3.687 4.337 -0.200
10 HD1 PHE 2 HD1 PHE 2 0.435 5.863 -0.653
11 HD2 PHE 2 HD2 PHE 2 4.603 6.260 -1.383
12 HE1 PHE 2 HE1 PHE 2 0.111 8.252 -1.168
13 HE2 PHE 2 HE2 PHE 2 4.291 8.646 -1.901
14 HZ PHE 2 HZ PHE 2 2.044 9.645 -1.790
15 H ARG 3 HN ARG 3 2.674 4.607 -4.187
16 HA ARG 3 HA ARG 3 5.400 3.921 -4.751
17 HB2 ARG 3 HB2 ARG 3 3.131 5.090 -6.213
18 HB3 ARG 3 HB1 ARG 3 4.743 5.506 -6.777
19 HG2 ARG 3 HG2 ARG 3 3.602 2.740 -6.491
20 HG3 ARG 3 HG1 ARG 3 3.901 3.603 -8.004
21 HD2 ARG 3 HD2 ARG 3 5.919 2.614 -6.005
22 HD3 ARG 3 HD1 ARG 3 5.699 2.058 -7.662
23 HE ARG 3 HE ARG 3 6.297 4.667 -8.020
24 HH11 ARG 3 HH11 ARG 3 7.860 2.157 -6.152
25 HH12 ARG 3 HH12 ARG 3 9.429 2.867 -6.265
26 HH21 ARG 3 HH21 ARG 3 8.346 5.622 -8.162
27 HH22 ARG 3 HH22 ARG 3 9.711 4.873 -7.398
28 H SER 4 HN SER 4 6.611 5.047 -3.336
29 HA SER 4 HA SER 4 6.465 7.934 -3.255
30 HB2 SER 4 HB2 SER 4 7.082 6.668 -1.213
31 HB3 SER 4 HB1 SER 4 8.488 6.014 -2.046
32 HG SER 4 HG SER 4 7.983 8.750 -1.452
33 HA PRO 5 HA PRO 5 9.041 8.093 -6.914
34 HB2 PRO 5 HB2 PRO 5 9.290 10.781 -7.004
35 HB3 PRO 5 HB1 PRO 5 7.845 9.919 -7.561
36 HG2 PRO 5 HG2 PRO 5 8.333 11.385 -5.000
37 HG3 PRO 5 HG1 PRO 5 6.863 11.319 -5.986
38 HD2 PRO 5 HD2 PRO 5 7.212 9.870 -3.708
39 HD3 PRO 5 HD1 PRO 5 6.181 9.345 -5.054
40 H CYS 6 HN CYS 6 10.466 7.350 -4.733
41 HA CYS 6 HA CYS 6 13.012 8.540 -5.241
42 HB2 CYS 6 HB2 CYS 6 12.058 10.205 -3.701
43 HB3 CYS 6 HB1 CYS 6 11.783 8.944 -2.507
44 HA PRO 7 HA PRO 7 14.121 7.244 -6.331
45 HB2 PRO 7 HB2 PRO 7 14.330 4.884 -7.654
46 HB3 PRO 7 HB1 PRO 7 15.572 5.451 -6.532
47 HG2 PRO 7 HG2 PRO 7 13.359 3.491 -6.073
48 HG3 PRO 7 HG1 PRO 7 15.064 3.377 -5.602
49 HD2 PRO 7 HD2 PRO 7 13.135 4.113 -3.864
50 HD3 PRO 7 HD1 PRO 7 14.783 4.763 -3.781
51 HA PRO 8 HA PRO 8 14.475 6.809 -8.493
52 HB2 PRO 8 HB2 PRO 8 13.995 7.055 -11.024
53 HB3 PRO 8 HB1 PRO 8 13.605 5.501 -10.266
54 HG2 PRO 8 HG2 PRO 8 11.767 7.743 -11.026
55 HG3 PRO 8 HG1 PRO 8 11.498 6.011 -11.203
56 HD2 PRO 8 HD2 PRO 8 10.635 7.650 -9.060
57 HD3 PRO 8 HD1 PRO 8 10.589 5.889 -9.084
58 H PHE 9 HN PHE 9 12.751 9.052 -7.327
59 HA PHE 9 HA PHE 9 14.050 11.027 -9.001
60 HB2 PHE 9 HB2 PHE 9 11.304 11.485 -7.792
61 HB3 PHE 9 HB1 PHE 9 12.210 12.648 -8.749
62 HD1 PHE 9 HD1 PHE 9 9.459 10.762 -8.931
63 HD2 PHE 9 HD2 PHE 9 13.116 11.251 -11.055
64 HE1 PHE 9 HE1 PHE 9 8.410 9.830 -10.952
65 HE2 PHE 9 HE2 PHE 9 12.070 10.332 -13.079
66 HZ PHE 9 HZ PHE 9 9.715 9.616 -13.028
67 H CYS 10 HN CYS 10 15.708 10.824 -7.414
68 HA CYS 10 HA CYS 10 15.421 12.930 -5.440
69 HB2 CYS 10 HB2 CYS 10 15.927 10.088 -4.734
70 HB3 CYS 10 HB1 CYS 10 16.855 11.311 -3.876
71 HN1 NH2 11 H1 CYS 10 16.713 14.003 -6.973
72 HN2 NH2 11 H2 CYS 10 18.414 13.715 -7.055
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -0.745 1.908 0.751
2 H2 GLY 1 HT2 GLY 1 -0.862 0.221 0.716
3 H3 GLY 1 HT3 GLY 1 -1.612 1.147 -0.486
4 HA2 GLY 1 HA1 GLY 1 1.301 0.907 -0.039
5 HA3 GLY 1 HA2 GLY 1 0.391 0.154 -1.343
6 H PHE 2 HN PHE 2 2.515 2.461 -0.916
7 HA PHE 2 HA PHE 2 1.319 4.204 -2.928
8 HB2 PHE 2 HB2 PHE 2 1.138 5.230 -0.661
9 HB3 PHE 2 HB1 PHE 2 2.886 5.090 -0.504
10 HD1 PHE 2 HD1 PHE 2 0.145 6.900 -2.037
11 HD2 PHE 2 HD2 PHE 2 4.360 6.502 -1.770
12 HE1 PHE 2 HE1 PHE 2 0.408 9.110 -3.082
13 HE2 PHE 2 HE2 PHE 2 4.642 8.723 -2.814
14 HZ PHE 2 HZ PHE 2 2.662 10.026 -3.472
15 H ARG 3 HN ARG 3 2.725 4.520 -4.634
16 HA ARG 3 HA ARG 3 5.401 3.515 -4.378
17 HB2 ARG 3 HB2 ARG 3 4.029 3.167 -6.370
18 HB3 ARG 3 HB1 ARG 3 3.982 4.911 -6.602
19 HG2 ARG 3 HG2 ARG 3 6.475 4.860 -6.770
20 HG3 ARG 3 HG1 ARG 3 6.362 3.097 -6.806
21 HD2 ARG 3 HD2 ARG 3 4.931 3.217 -8.739
22 HD3 ARG 3 HD1 ARG 3 4.998 4.976 -8.691
23 HE ARG 3 HE ARG 3 7.396 3.313 -9.122
24 HH11 ARG 3 HH11 ARG 3 5.373 6.049 -10.022
25 HH12 ARG 3 HH12 ARG 3 6.456 6.622 -11.238
26 HH21 ARG 3 HH21 ARG 3 8.849 4.089 -10.735
27 HH22 ARG 3 HH22 ARG 3 8.438 5.497 -11.650
28 H SER 4 HN SER 4 6.508 4.879 -3.063
29 HA SER 4 HA SER 4 6.414 7.712 -3.262
30 HB2 SER 4 HB2 SER 4 7.097 6.422 -1.210
31 HB3 SER 4 HB1 SER 4 8.592 5.999 -2.040
32 HG SER 4 HG SER 4 7.688 8.544 -1.197
33 HA PRO 5 HA PRO 5 8.960 7.937 -6.934
34 HB2 PRO 5 HB2 PRO 5 9.231 10.621 -6.974
35 HB3 PRO 5 HB1 PRO 5 7.757 9.789 -7.499
36 HG2 PRO 5 HG2 PRO 5 8.368 11.168 -4.915
37 HG3 PRO 5 HG1 PRO 5 6.869 11.186 -5.860
38 HD2 PRO 5 HD2 PRO 5 7.206 9.656 -3.650
39 HD3 PRO 5 HD1 PRO 5 6.160 9.183 -5.005
40 H CYS 6 HN CYS 6 10.356 7.344 -4.508
41 HA CYS 6 HA CYS 6 12.920 8.491 -5.213
42 HB2 CYS 6 HB2 CYS 6 11.955 10.134 -3.640
43 HB3 CYS 6 HB1 CYS 6 11.795 8.866 -2.429
44 HA PRO 7 HA PRO 7 14.112 7.261 -6.288
45 HB2 PRO 7 HB2 PRO 7 14.028 4.504 -7.290
46 HB3 PRO 7 HB1 PRO 7 15.406 5.600 -7.162
47 HG2 PRO 7 HG2 PRO 7 15.167 3.433 -5.585
48 HG3 PRO 7 HG1 PRO 7 15.905 4.940 -5.010
49 HD2 PRO 7 HD2 PRO 7 13.129 3.901 -4.561
50 HD3 PRO 7 HD1 PRO 7 14.259 4.630 -3.399
51 HA PRO 8 HA PRO 8 14.504 6.846 -8.468
52 HB2 PRO 8 HB2 PRO 8 14.058 7.073 -11.014
53 HB3 PRO 8 HB1 PRO 8 13.704 5.516 -10.244
54 HG2 PRO 8 HG2 PRO 8 11.817 7.682 -11.079
55 HG3 PRO 8 HG1 PRO 8 11.592 5.940 -11.199
56 HD2 PRO 8 HD2 PRO 8 10.675 7.637 -9.119
57 HD3 PRO 8 HD1 PRO 8 10.642 5.876 -9.106
58 H PHE 9 HN PHE 9 12.734 9.104 -7.360
59 HA PHE 9 HA PHE 9 14.066 11.060 -9.042
60 HB2 PHE 9 HB2 PHE 9 11.334 11.569 -7.822
61 HB3 PHE 9 HB1 PHE 9 12.233 12.670 -8.856
62 HD1 PHE 9 HD1 PHE 9 9.497 10.703 -8.846
63 HD2 PHE 9 HD2 PHE 9 13.042 11.258 -11.133
64 HE1 PHE 9 HE1 PHE 9 8.402 9.675 -10.790
65 HE2 PHE 9 HE2 PHE 9 11.947 10.244 -13.088
66 HZ PHE 9 HZ PHE 9 9.624 9.447 -12.918
67 H CYS 10 HN CYS 10 15.689 10.811 -7.415
68 HA CYS 10 HA CYS 10 15.471 12.987 -5.506
69 HB2 CYS 10 HB2 CYS 10 15.963 10.141 -4.713
70 HB3 CYS 10 HB1 CYS 10 16.767 11.427 -3.824
71 HN1 NH2 11 H1 CYS 10 16.881 14.066 -6.854
72 HN2 NH2 11 H2 CYS 10 18.544 13.630 -7.015
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 4.731 -0.728 0.062
2 H2 GLY 1 HT2 GLY 1 4.319 -2.361 -0.046
3 H3 GLY 1 HT3 GLY 1 3.117 -1.202 0.192
4 HA2 GLY 1 HA1 GLY 1 4.798 -1.444 -2.224
5 HA3 GLY 1 HA2 GLY 1 3.135 -1.992 -2.090
6 H PHE 2 HN PHE 2 4.793 0.981 -1.042
7 HA PHE 2 HA PHE 2 2.715 2.529 -2.387
8 HB2 PHE 2 HB2 PHE 2 2.962 2.935 0.025
9 HB3 PHE 2 HB1 PHE 2 4.677 3.247 -0.198
10 HD1 PHE 2 HD1 PHE 2 1.325 4.596 -0.458
11 HD2 PHE 2 HD2 PHE 2 5.434 5.305 -1.282
12 HE1 PHE 2 HE1 PHE 2 0.845 6.991 -0.762
13 HE2 PHE 2 HE2 PHE 2 4.963 7.705 -1.584
14 HZ PHE 2 HZ PHE 2 2.666 8.548 -1.325
15 H ARG 3 HN ARG 3 3.296 3.742 -4.129
16 HA ARG 3 HA ARG 3 6.038 3.623 -4.952
17 HB2 ARG 3 HB2 ARG 3 3.484 4.447 -6.160
18 HB3 ARG 3 HB1 ARG 3 4.974 5.081 -6.847
19 HG2 ARG 3 HG2 ARG 3 4.273 2.179 -6.503
20 HG3 ARG 3 HG1 ARG 3 4.265 3.075 -8.027
21 HD2 ARG 3 HD2 ARG 3 6.634 2.425 -6.279
22 HD3 ARG 3 HD1 ARG 3 6.306 1.818 -7.897
23 HE ARG 3 HE ARG 3 6.569 4.220 -8.626
24 HH11 ARG 3 HH11 ARG 3 8.250 2.929 -5.815
25 HH12 ARG 3 HH12 ARG 3 9.523 4.094 -5.893
26 HH21 ARG 3 HH21 ARG 3 8.256 5.765 -8.706
27 HH22 ARG 3 HH22 ARG 3 9.529 5.698 -7.524
28 H SER 4 HN SER 4 7.061 4.876 -3.469
29 HA SER 4 HA SER 4 6.466 7.707 -3.375
30 HB2 SER 4 HB2 SER 4 8.550 7.699 -1.898
31 HB3 SER 4 HB1 SER 4 7.175 6.775 -1.292
32 HG SER 4 HG SER 4 9.281 5.624 -2.807
33 HA PRO 5 HA PRO 5 9.082 8.374 -6.911
34 HB2 PRO 5 HB2 PRO 5 9.323 11.057 -6.737
35 HB3 PRO 5 HB1 PRO 5 7.866 10.246 -7.330
36 HG2 PRO 5 HG2 PRO 5 8.426 11.428 -4.636
37 HG3 PRO 5 HG1 PRO 5 6.937 11.489 -5.593
38 HD2 PRO 5 HD2 PRO 5 7.295 9.783 -3.505
39 HD3 PRO 5 HD1 PRO 5 6.256 9.411 -4.895
40 H CYS 6 HN CYS 6 10.526 7.388 -4.886
41 HA CYS 6 HA CYS 6 13.117 8.331 -5.374
42 HB2 CYS 6 HB2 CYS 6 12.353 10.177 -3.860
43 HB3 CYS 6 HB1 CYS 6 12.090 8.981 -2.596
44 HA PRO 7 HA PRO 7 14.144 6.866 -6.331
45 HB2 PRO 7 HB2 PRO 7 13.562 4.145 -7.246
46 HB3 PRO 7 HB1 PRO 7 15.115 4.972 -7.135
47 HG2 PRO 7 HG2 PRO 7 14.440 2.932 -5.495
48 HG3 PRO 7 HG1 PRO 7 15.490 4.264 -4.980
49 HD2 PRO 7 HD2 PRO 7 12.583 3.820 -4.436
50 HD3 PRO 7 HD1 PRO 7 13.858 4.401 -3.344
51 HA PRO 8 HA PRO 8 14.481 6.804 -8.290
52 HB2 PRO 8 HB2 PRO 8 14.170 7.075 -10.863
53 HB3 PRO 8 HB1 PRO 8 13.772 5.515 -10.126
54 HG2 PRO 8 HG2 PRO 8 11.947 7.626 -11.150
55 HG3 PRO 8 HG1 PRO 8 11.670 5.895 -11.075
56 HD2 PRO 8 HD2 PRO 8 10.884 7.920 -9.175
57 HD3 PRO 8 HD1 PRO 8 10.515 6.197 -9.101
58 H PHE 9 HN PHE 9 12.734 9.089 -7.248
59 HA PHE 9 HA PHE 9 14.038 11.033 -8.958
60 HB2 PHE 9 HB2 PHE 9 11.330 11.519 -7.691
61 HB3 PHE 9 HB1 PHE 9 12.205 12.648 -8.715
62 HD1 PHE 9 HD1 PHE 9 9.444 10.813 -8.767
63 HD2 PHE 9 HD2 PHE 9 13.081 11.109 -10.963
64 HE1 PHE 9 HE1 PHE 9 8.354 9.789 -10.717
65 HE2 PHE 9 HE2 PHE 9 11.988 10.100 -12.920
66 HZ PHE 9 HZ PHE 9 9.621 9.434 -12.795
67 H CYS 10 HN CYS 10 15.733 10.865 -7.403
68 HA CYS 10 HA CYS 10 15.439 13.029 -5.471
69 HB2 CYS 10 HB2 CYS 10 16.320 10.251 -4.815
70 HB3 CYS 10 HB1 CYS 10 17.087 11.597 -3.983
71 HN1 NH2 11 H1 CYS 10 16.591 14.379 -6.761
72 HN2 NH2 11 H2 CYS 10 18.261 14.149 -7.142
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 3.783 -1.189 -0.943
2 H2 GLY 1 HT2 GLY 1 3.874 -1.534 0.709
3 H3 GLY 1 HT3 GLY 1 4.556 -0.115 0.100
4 HA2 GLY 1 HA1 GLY 1 1.667 -0.758 0.072
5 HA3 GLY 1 HA2 GLY 1 2.449 0.303 1.233
6 H PHE 2 HN PHE 2 3.618 2.200 0.299
7 HA PHE 2 HA PHE 2 2.059 3.307 -1.911
8 HB2 PHE 2 HB2 PHE 2 2.022 4.500 0.269
9 HB3 PHE 2 HB1 PHE 2 3.773 4.659 0.178
10 HD1 PHE 2 HD1 PHE 2 0.587 5.775 -1.231
11 HD2 PHE 2 HD2 PHE 2 4.802 6.277 -1.207
12 HE1 PHE 2 HE1 PHE 2 0.331 7.899 -2.449
13 HE2 PHE 2 HE2 PHE 2 4.563 8.410 -2.421
14 HZ PHE 2 HZ PHE 2 2.321 9.220 -3.044
15 H ARG 3 HN ARG 3 3.075 3.843 -3.819
16 HA ARG 3 HA ARG 3 5.867 3.246 -4.076
17 HB2 ARG 3 HB2 ARG 3 4.200 2.621 -5.732
18 HB3 ARG 3 HB1 ARG 3 3.832 4.324 -5.967
19 HG2 ARG 3 HG2 ARG 3 6.151 4.674 -6.738
20 HG3 ARG 3 HG1 ARG 3 6.410 2.928 -6.623
21 HD2 ARG 3 HD2 ARG 3 4.585 2.557 -8.170
22 HD3 ARG 3 HD1 ARG 3 4.322 4.295 -8.280
23 HE ARG 3 HE ARG 3 7.003 3.519 -8.958
24 HH11 ARG 3 HH11 ARG 3 3.752 3.910 -10.219
25 HH12 ARG 3 HH12 ARG 3 4.262 4.047 -11.865
26 HH21 ARG 3 HH21 ARG 3 7.681 3.699 -11.133
27 HH22 ARG 3 HH22 ARG 3 6.519 3.930 -12.392
28 H SER 4 HN SER 4 6.932 4.832 -2.939
29 HA SER 4 HA SER 4 6.405 7.613 -3.406
30 HB2 SER 4 HB2 SER 4 8.461 7.913 -1.960
31 HB3 SER 4 HB1 SER 4 7.146 7.014 -1.205
32 HG SER 4 HG SER 4 9.151 5.982 -0.884
33 HA PRO 5 HA PRO 5 9.011 7.952 -7.000
34 HB2 PRO 5 HB2 PRO 5 9.287 10.635 -6.998
35 HB3 PRO 5 HB1 PRO 5 7.804 9.822 -7.523
36 HG2 PRO 5 HG2 PRO 5 8.445 11.129 -4.907
37 HG3 PRO 5 HG1 PRO 5 6.948 11.201 -5.852
38 HD2 PRO 5 HD2 PRO 5 7.231 9.606 -3.695
39 HD3 PRO 5 HD1 PRO 5 6.217 9.167 -5.087
40 H CYS 6 HN CYS 6 10.383 7.344 -4.551
41 HA CYS 6 HA CYS 6 12.954 8.492 -5.205
42 HB2 CYS 6 HB2 CYS 6 11.960 10.137 -3.638
43 HB3 CYS 6 HB1 CYS 6 11.783 8.863 -2.436
44 HA PRO 7 HA PRO 7 14.119 7.248 -6.287
45 HB2 PRO 7 HB2 PRO 7 14.001 4.492 -7.287
46 HB3 PRO 7 HB1 PRO 7 15.391 5.573 -7.166
47 HG2 PRO 7 HG2 PRO 7 15.125 3.411 -5.591
48 HG3 PRO 7 HG1 PRO 7 15.894 4.904 -5.023
49 HD2 PRO 7 HD2 PRO 7 13.113 3.901 -4.545
50 HD3 PRO 7 HD1 PRO 7 14.258 4.632 -3.399
51 HA PRO 8 HA PRO 8 14.502 6.846 -8.458
52 HB2 PRO 8 HB2 PRO 8 14.065 7.058 -10.995
53 HB3 PRO 8 HB1 PRO 8 13.655 5.516 -10.225
54 HG2 PRO 8 HG2 PRO 8 11.842 7.758 -11.037
55 HG3 PRO 8 HG1 PRO 8 11.568 6.025 -11.207
56 HD2 PRO 8 HD2 PRO 8 10.676 7.679 -9.087
57 HD3 PRO 8 HD1 PRO 8 10.635 5.916 -9.109
58 H PHE 9 HN PHE 9 12.730 9.109 -7.356
59 HA PHE 9 HA PHE 9 14.068 11.057 -9.042
60 HB2 PHE 9 HB2 PHE 9 11.324 11.539 -7.838
61 HB3 PHE 9 HB1 PHE 9 12.229 12.676 -8.826
62 HD1 PHE 9 HD1 PHE 9 9.476 10.777 -8.936
63 HD2 PHE 9 HD2 PHE 9 13.106 11.248 -11.112
64 HE1 PHE 9 HE1 PHE 9 8.407 9.812 -10.929
65 HE2 PHE 9 HE2 PHE 9 12.037 10.298 -13.111
66 HZ PHE 9 HZ PHE 9 9.685 9.574 -13.022
67 H CYS 10 HN CYS 10 15.687 10.801 -7.410
68 HA CYS 10 HA CYS 10 15.455 12.967 -5.499
69 HB2 CYS 10 HB2 CYS 10 15.952 10.120 -4.722
70 HB3 CYS 10 HB1 CYS 10 16.779 11.399 -3.841
71 HN1 NH2 11 H1 CYS 10 16.856 14.095 -6.779
72 HN2 NH2 11 H2 CYS 10 18.521 13.674 -6.966
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 2.633 1.086 3.528
2 H2 GLY 1 HT2 GLY 1 2.810 -0.583 3.728
3 H3 GLY 1 HT3 GLY 1 1.525 0.032 2.816
4 HA2 GLY 1 HA1 GLY 1 4.388 0.235 2.114
5 HA3 GLY 1 HA2 GLY 1 3.227 -0.860 1.379
6 H PHE 2 HN PHE 2 4.772 2.027 1.012
7 HA PHE 2 HA PHE 2 2.764 2.945 -0.895
8 HB2 PHE 2 HB2 PHE 2 2.711 4.320 1.189
9 HB3 PHE 2 HB1 PHE 2 4.415 4.683 0.946
10 HD1 PHE 2 HD1 PHE 2 1.022 5.390 -0.092
11 HD2 PHE 2 HD2 PHE 2 5.128 6.118 -0.865
12 HE1 PHE 2 HE1 PHE 2 0.402 7.336 -1.469
13 HE2 PHE 2 HE2 PHE 2 4.527 8.075 -2.247
14 HZ PHE 2 HZ PHE 2 2.159 8.680 -2.547
15 H ARG 3 HN ARG 3 3.641 3.227 -2.896
16 HA ARG 3 HA ARG 3 6.489 3.021 -3.239
17 HB2 ARG 3 HB2 ARG 3 4.938 1.889 -4.701
18 HB3 ARG 3 HB1 ARG 3 4.203 3.434 -5.110
19 HG2 ARG 3 HG2 ARG 3 6.387 4.132 -6.081
20 HG3 ARG 3 HG1 ARG 3 6.961 2.479 -5.828
21 HD2 ARG 3 HD2 ARG 3 5.195 1.623 -7.210
22 HD3 ARG 3 HD1 ARG 3 4.526 3.240 -7.400
23 HE ARG 3 HE ARG 3 7.217 3.206 -8.280
24 HH11 ARG 3 HH11 ARG 3 4.026 2.121 -9.282
25 HH12 ARG 3 HH12 ARG 3 4.417 2.110 -10.966
26 HH21 ARG 3 HH21 ARG 3 7.727 3.202 -10.510
27 HH22 ARG 3 HH22 ARG 3 6.536 2.735 -11.671
28 H SER 4 HN SER 4 7.285 4.930 -2.370
29 HA SER 4 HA SER 4 6.305 7.483 -3.291
30 HB2 SER 4 HB2 SER 4 7.175 7.139 -0.967
31 HB3 SER 4 HB1 SER 4 8.772 6.846 -1.649
32 HG SER 4 HG SER 4 8.930 8.924 -1.328
33 HA PRO 5 HA PRO 5 8.923 7.753 -6.900
34 HB2 PRO 5 HB2 PRO 5 9.116 10.465 -7.028
35 HB3 PRO 5 HB1 PRO 5 7.704 9.553 -7.592
36 HG2 PRO 5 HG2 PRO 5 8.140 11.035 -5.028
37 HG3 PRO 5 HG1 PRO 5 6.685 10.954 -6.036
38 HD2 PRO 5 HD2 PRO 5 6.942 9.524 -3.778
39 HD3 PRO 5 HD1 PRO 5 6.062 8.907 -5.193
40 H CYS 6 HN CYS 6 10.374 7.281 -4.516
41 HA CYS 6 HA CYS 6 12.889 8.527 -5.217
42 HB2 CYS 6 HB2 CYS 6 11.852 10.140 -3.656
43 HB3 CYS 6 HB1 CYS 6 11.706 8.868 -2.450
44 HA PRO 7 HA PRO 7 14.123 7.301 -6.290
45 HB2 PRO 7 HB2 PRO 7 14.430 4.975 -7.643
46 HB3 PRO 7 HB1 PRO 7 15.627 5.548 -6.476
47 HG2 PRO 7 HG2 PRO 7 13.438 3.537 -6.102
48 HG3 PRO 7 HG1 PRO 7 15.141 3.434 -5.616
49 HD2 PRO 7 HD2 PRO 7 13.194 4.101 -3.877
50 HD3 PRO 7 HD1 PRO 7 14.827 4.788 -3.776
51 HA PRO 8 HA PRO 8 14.525 6.873 -8.474
52 HB2 PRO 8 HB2 PRO 8 14.077 7.105 -11.011
53 HB3 PRO 8 HB1 PRO 8 13.709 5.545 -10.253
54 HG2 PRO 8 HG2 PRO 8 11.837 7.757 -11.021
55 HG3 PRO 8 HG1 PRO 8 11.613 6.023 -11.245
56 HD2 PRO 8 HD2 PRO 8 10.642 7.566 -9.094
57 HD3 PRO 8 HD1 PRO 8 10.712 5.803 -9.138
58 H PHE 9 HN PHE 9 12.716 9.105 -7.355
59 HA PHE 9 HA PHE 9 14.027 11.071 -9.044
60 HB2 PHE 9 HB2 PHE 9 11.301 11.542 -7.800
61 HB3 PHE 9 HB1 PHE 9 12.185 12.675 -8.810
62 HD1 PHE 9 HD1 PHE 9 9.456 10.707 -8.848
63 HD2 PHE 9 HD2 PHE 9 13.013 11.292 -11.116
64 HE1 PHE 9 HE1 PHE 9 8.361 9.722 -10.816
65 HE2 PHE 9 HE2 PHE 9 11.915 10.320 -13.090
66 HZ PHE 9 HZ PHE 9 9.589 9.529 -12.939
67 H CYS 10 HN CYS 10 15.666 10.795 -7.425
68 HA CYS 10 HA CYS 10 15.508 12.982 -5.540
69 HB2 CYS 10 HB2 CYS 10 15.912 10.135 -4.678
70 HB3 CYS 10 HB1 CYS 10 16.690 11.440 -3.792
71 HN1 NH2 11 H1 CYS 10 17.007 14.056 -6.696
72 HN2 NH2 11 H2 CYS 10 18.636 13.526 -6.916
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 5.977 -1.110 0.160
2 H2 GLY 1 HT2 GLY 1 5.690 -2.735 0.531
3 H3 GLY 1 HT3 GLY 1 4.482 -1.582 0.789
4 HA2 GLY 1 HA1 GLY 1 5.582 -2.337 -1.853
5 HA3 GLY 1 HA2 GLY 1 4.058 -2.915 -1.192
6 H PHE 2 HN PHE 2 5.722 0.219 -1.567
7 HA PHE 2 HA PHE 2 3.324 1.282 -2.844
8 HB2 PHE 2 HB2 PHE 2 3.278 1.943 -0.474
9 HB3 PHE 2 HB1 PHE 2 4.925 2.547 -0.603
10 HD1 PHE 2 HD1 PHE 2 1.417 3.197 -1.304
11 HD2 PHE 2 HD2 PHE 2 5.398 4.607 -1.769
12 HE1 PHE 2 HE1 PHE 2 0.553 5.423 -1.895
13 HE2 PHE 2 HE2 PHE 2 4.542 6.844 -2.358
14 HZ PHE 2 HZ PHE 2 2.117 7.250 -2.420
15 H ARG 3 HN ARG 3 3.830 2.574 -4.603
16 HA ARG 3 HA ARG 3 6.627 2.815 -5.268
17 HB2 ARG 3 HB2 ARG 3 4.097 3.500 -6.696
18 HB3 ARG 3 HB1 ARG 3 5.685 3.883 -7.351
19 HG2 ARG 3 HG2 ARG 3 4.750 1.126 -6.621
20 HG3 ARG 3 HG1 ARG 3 4.706 1.792 -8.256
21 HD2 ARG 3 HD2 ARG 3 7.190 1.435 -6.574
22 HD3 ARG 3 HD1 ARG 3 6.667 0.338 -7.848
23 HE ARG 3 HE ARG 3 7.062 3.103 -8.648
24 HH11 ARG 3 HH11 ARG 3 8.499 -0.083 -8.343
25 HH12 ARG 3 HH12 ARG 3 9.690 0.193 -9.562
26 HH21 ARG 3 HH21 ARG 3 8.654 3.477 -10.259
27 HH22 ARG 3 HH22 ARG 3 9.780 2.228 -10.651
28 H SER 4 HN SER 4 7.373 4.251 -3.812
29 HA SER 4 HA SER 4 6.319 6.968 -3.837
30 HB2 SER 4 HB2 SER 4 7.010 5.904 -1.671
31 HB3 SER 4 HB1 SER 4 8.660 5.815 -2.283
32 HG SER 4 HG SER 4 8.834 7.730 -1.449
33 HA PRO 5 HA PRO 5 9.151 7.961 -7.121
34 HB2 PRO 5 HB2 PRO 5 8.996 10.659 -6.959
35 HB3 PRO 5 HB1 PRO 5 7.741 9.646 -7.694
36 HG2 PRO 5 HG2 PRO 5 7.853 10.872 -4.963
37 HG3 PRO 5 HG1 PRO 5 6.476 10.751 -6.075
38 HD2 PRO 5 HD2 PRO 5 6.800 9.094 -3.965
39 HD3 PRO 5 HD1 PRO 5 6.033 8.573 -5.480
40 H CYS 6 HN CYS 6 10.568 7.220 -4.935
41 HA CYS 6 HA CYS 6 12.989 8.618 -5.277
42 HB2 CYS 6 HB2 CYS 6 11.956 10.293 -3.826
43 HB3 CYS 6 HB1 CYS 6 11.580 9.055 -2.633
44 HA PRO 7 HA PRO 7 14.142 7.321 -6.359
45 HB2 PRO 7 HB2 PRO 7 14.432 4.935 -7.605
46 HB3 PRO 7 HB1 PRO 7 15.652 5.579 -6.501
47 HG2 PRO 7 HG2 PRO 7 13.508 3.554 -5.977
48 HG3 PRO 7 HG1 PRO 7 15.219 3.512 -5.511
49 HD2 PRO 7 HD2 PRO 7 13.273 4.230 -3.787
50 HD3 PRO 7 HD1 PRO 7 14.898 4.939 -3.729
51 HA PRO 8 HA PRO 8 14.488 6.838 -8.552
52 HB2 PRO 8 HB2 PRO 8 13.936 7.131 -11.058
53 HB3 PRO 8 HB1 PRO 8 13.586 5.555 -10.326
54 HG2 PRO 8 HG2 PRO 8 11.700 7.810 -10.941
55 HG3 PRO 8 HG1 PRO 8 11.458 6.086 -11.227
56 HD2 PRO 8 HD2 PRO 8 10.575 7.538 -8.987
57 HD3 PRO 8 HD1 PRO 8 10.649 5.778 -9.087
58 H PHE 9 HN PHE 9 12.745 9.024 -7.297
59 HA PHE 9 HA PHE 9 13.970 11.046 -8.971
60 HB2 PHE 9 HB2 PHE 9 11.231 11.406 -7.712
61 HB3 PHE 9 HB1 PHE 9 12.100 12.628 -8.629
62 HD1 PHE 9 HD1 PHE 9 9.393 10.692 -8.873
63 HD2 PHE 9 HD2 PHE 9 13.026 11.334 -10.992
64 HE1 PHE 9 HE1 PHE 9 8.349 9.825 -10.923
65 HE2 PHE 9 HE2 PHE 9 11.984 10.477 -13.046
66 HZ PHE 9 HZ PHE 9 9.644 9.718 -13.014
67 H CYS 10 HN CYS 10 15.654 10.808 -7.420
68 HA CYS 10 HA CYS 10 15.486 12.912 -5.453
69 HB2 CYS 10 HB2 CYS 10 15.777 10.045 -4.688
70 HB3 CYS 10 HB1 CYS 10 16.771 11.217 -3.832
71 HN1 NH2 11 H1 CYS 10 16.872 13.838 -7.019
72 HN2 NH2 11 H2 CYS 10 18.547 13.414 -7.085
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 3.552 2.896 3.448
2 H2 GLY 1 HT2 GLY 1 2.515 1.904 4.337
3 H3 GLY 1 HT3 GLY 1 1.957 3.371 3.727
4 HA2 GLY 1 HA1 GLY 1 2.810 1.045 2.113
5 HA3 GLY 1 HA2 GLY 1 1.146 1.514 2.419
6 H PHE 2 HN PHE 2 2.973 4.303 2.160
7 HA PHE 2 HA PHE 2 1.968 4.801 -0.501
8 HB2 PHE 2 HB2 PHE 2 1.794 6.445 1.422
9 HB3 PHE 2 HB1 PHE 2 3.547 6.611 1.319
10 HD1 PHE 2 HD1 PHE 2 0.367 7.376 -0.257
11 HD2 PHE 2 HD2 PHE 2 4.588 7.757 -0.526
12 HE1 PHE 2 HE1 PHE 2 0.092 9.130 -1.968
13 HE2 PHE 2 HE2 PHE 2 4.331 9.512 -2.236
14 HZ PHE 2 HZ PHE 2 2.078 10.200 -2.959
15 H ARG 3 HN ARG 3 3.235 4.642 -2.300
16 HA ARG 3 HA ARG 3 6.038 4.176 -1.953
17 HB2 ARG 3 HB2 ARG 3 4.752 2.903 -3.542
18 HB3 ARG 3 HB1 ARG 3 4.262 4.392 -4.338
19 HG2 ARG 3 HG2 ARG 3 6.502 4.815 -5.066
20 HG3 ARG 3 HG1 ARG 3 7.097 3.424 -4.157
21 HD2 ARG 3 HD2 ARG 3 5.831 1.930 -5.516
22 HD3 ARG 3 HD1 ARG 3 5.063 3.279 -6.347
23 HE ARG 3 HE ARG 3 7.460 3.831 -7.071
24 HH11 ARG 3 HH11 ARG 3 6.297 0.558 -6.580
25 HH12 ARG 3 HH12 ARG 3 7.397 -0.133 -7.719
26 HH21 ARG 3 HH21 ARG 3 8.900 2.914 -8.571
27 HH22 ARG 3 HH22 ARG 3 8.878 1.210 -8.864
28 H SER 4 HN SER 4 7.064 5.991 -1.394
29 HA SER 4 HA SER 4 6.614 8.551 -2.521
30 HB2 SER 4 HB2 SER 4 7.713 8.263 -0.342
31 HB3 SER 4 HB1 SER 4 9.038 7.390 -1.106
32 HG SER 4 HG SER 4 8.420 10.129 -1.172
33 HA PRO 5 HA PRO 5 8.633 7.965 -6.483
34 HB2 PRO 5 HB2 PRO 5 9.266 10.553 -6.980
35 HB3 PRO 5 HB1 PRO 5 7.642 9.881 -7.224
36 HG2 PRO 5 HG2 PRO 5 8.735 11.506 -4.961
37 HG3 PRO 5 HG1 PRO 5 7.142 11.600 -5.733
38 HD2 PRO 5 HD2 PRO 5 7.519 10.384 -3.364
39 HD3 PRO 5 HD1 PRO 5 6.320 9.814 -4.545
40 H CYS 6 HN CYS 6 10.305 7.616 -4.170
41 HA CYS 6 HA CYS 6 12.858 8.311 -5.389
42 HB2 CYS 6 HB2 CYS 6 12.399 10.149 -3.851
43 HB3 CYS 6 HB1 CYS 6 12.134 9.008 -2.537
44 HA PRO 7 HA PRO 7 14.129 7.080 -6.275
45 HB2 PRO 7 HB2 PRO 7 13.833 4.364 -7.333
46 HB3 PRO 7 HB1 PRO 7 15.302 5.319 -7.125
47 HG2 PRO 7 HG2 PRO 7 14.759 3.145 -5.613
48 HG3 PRO 7 HG1 PRO 7 15.671 4.534 -4.998
49 HD2 PRO 7 HD2 PRO 7 12.800 3.815 -4.581
50 HD3 PRO 7 HD1 PRO 7 13.987 4.441 -3.417
51 HA PRO 8 HA PRO 8 14.537 6.833 -8.366
52 HB2 PRO 8 HB2 PRO 8 14.221 7.077 -10.923
53 HB3 PRO 8 HB1 PRO 8 13.750 5.532 -10.189
54 HG2 PRO 8 HG2 PRO 8 12.019 7.799 -11.087
55 HG3 PRO 8 HG1 PRO 8 11.707 6.075 -11.239
56 HD2 PRO 8 HD2 PRO 8 10.802 7.806 -9.170
57 HD3 PRO 8 HD1 PRO 8 10.645 6.050 -9.193
58 H PHE 9 HN PHE 9 12.729 9.088 -7.330
59 HA PHE 9 HA PHE 9 14.062 11.055 -8.992
60 HB2 PHE 9 HB2 PHE 9 11.346 11.492 -7.718
61 HB3 PHE 9 HB1 PHE 9 12.221 12.664 -8.690
62 HD1 PHE 9 HD1 PHE 9 9.466 10.804 -8.829
63 HD2 PHE 9 HD2 PHE 9 13.113 11.239 -10.994
64 HE1 PHE 9 HE1 PHE 9 8.395 9.863 -10.835
65 HE2 PHE 9 HE2 PHE 9 12.040 10.315 -13.001
66 HZ PHE 9 HZ PHE 9 9.683 9.620 -12.923
67 H CYS 10 HN CYS 10 15.712 10.754 -7.384
68 HA CYS 10 HA CYS 10 15.425 12.907 -5.432
69 HB2 CYS 10 HB2 CYS 10 16.372 10.133 -4.889
70 HB3 CYS 10 HB1 CYS 10 17.182 11.458 -4.060
71 HN1 NH2 11 H1 CYS 10 16.439 14.291 -6.803
72 HN2 NH2 11 H2 CYS 10 18.110 14.168 -7.223
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 2.960 0.057 3.352
2 H2 GLY 1 HT2 GLY 1 4.079 -1.163 3.698
3 H3 GLY 1 HT3 GLY 1 3.151 -1.240 2.287
4 HA2 GLY 1 HA1 GLY 1 5.195 0.803 2.894
5 HA3 GLY 1 HA2 GLY 1 5.397 -0.551 1.795
6 H PHE 2 HN PHE 2 5.199 2.543 1.626
7 HA PHE 2 HA PHE 2 3.212 2.686 -0.520
8 HB2 PHE 2 HB2 PHE 2 2.954 4.247 1.419
9 HB3 PHE 2 HB1 PHE 2 4.554 4.887 1.056
10 HD1 PHE 2 HD1 PHE 2 1.072 4.737 0.003
11 HD2 PHE 2 HD2 PHE 2 4.921 6.333 -0.808
12 HE1 PHE 2 HE1 PHE 2 0.061 6.365 -1.544
13 HE2 PHE 2 HE2 PHE 2 3.925 7.967 -2.357
14 HZ PHE 2 HZ PHE 2 1.490 7.983 -2.725
15 H ARG 3 HN ARG 3 3.959 3.087 -2.599
16 HA ARG 3 HA ARG 3 6.793 3.242 -2.963
17 HB2 ARG 3 HB2 ARG 3 5.396 1.852 -4.360
18 HB3 ARG 3 HB1 ARG 3 4.490 3.278 -4.854
19 HG2 ARG 3 HG2 ARG 3 6.593 4.197 -5.802
20 HG3 ARG 3 HG1 ARG 3 7.353 2.636 -5.467
21 HD2 ARG 3 HD2 ARG 3 5.824 1.516 -6.881
22 HD3 ARG 3 HD1 ARG 3 4.867 2.982 -7.081
23 HE ARG 3 HE ARG 3 7.636 3.129 -7.942
24 HH11 ARG 3 HH11 ARG 3 4.294 2.619 -8.888
25 HH12 ARG 3 HH12 ARG 3 4.566 3.028 -10.546
26 HH21 ARG 3 HH21 ARG 3 7.998 3.652 -10.143
27 HH22 ARG 3 HH22 ARG 3 6.683 3.624 -11.264
28 H SER 4 HN SER 4 7.457 5.235 -2.303
29 HA SER 4 HA SER 4 6.221 7.624 -3.379
30 HB2 SER 4 HB2 SER 4 8.118 8.726 -2.062
31 HB3 SER 4 HB1 SER 4 6.939 7.820 -1.114
32 HG SER 4 HG SER 4 8.550 6.694 -0.425
33 HA PRO 5 HA PRO 5 8.925 8.010 -6.885
34 HB2 PRO 5 HB2 PRO 5 9.299 10.688 -6.985
35 HB3 PRO 5 HB1 PRO 5 7.796 9.895 -7.493
36 HG2 PRO 5 HG2 PRO 5 8.458 11.285 -4.922
37 HG3 PRO 5 HG1 PRO 5 6.967 11.360 -5.878
38 HD2 PRO 5 HD2 PRO 5 7.176 9.849 -3.662
39 HD3 PRO 5 HD1 PRO 5 6.188 9.360 -5.053
40 H CYS 6 HN CYS 6 10.364 7.400 -4.509
41 HA CYS 6 HA CYS 6 12.949 8.418 -5.284
42 HB2 CYS 6 HB2 CYS 6 12.141 10.155 -3.738
43 HB3 CYS 6 HB1 CYS 6 11.908 8.934 -2.489
44 HA PRO 7 HA PRO 7 14.125 7.157 -6.293
45 HB2 PRO 7 HB2 PRO 7 13.902 4.403 -7.287
46 HB3 PRO 7 HB1 PRO 7 15.333 5.428 -7.159
47 HG2 PRO 7 HG2 PRO 7 14.973 3.282 -5.576
48 HG3 PRO 7 HG1 PRO 7 15.795 4.748 -5.008
49 HD2 PRO 7 HD2 PRO 7 12.972 3.859 -4.545
50 HD3 PRO 7 HD1 PRO 7 14.138 4.548 -3.394
51 HA PRO 8 HA PRO 8 14.500 6.824 -8.434
52 HB2 PRO 8 HB2 PRO 8 14.095 7.060 -10.976
53 HB3 PRO 8 HB1 PRO 8 13.656 5.515 -10.224
54 HG2 PRO 8 HG2 PRO 8 11.879 7.792 -11.033
55 HG3 PRO 8 HG1 PRO 8 11.587 6.064 -11.229
56 HD2 PRO 8 HD2 PRO 8 10.690 7.701 -9.100
57 HD3 PRO 8 HD1 PRO 8 10.625 5.941 -9.140
58 H PHE 9 HN PHE 9 12.738 9.097 -7.328
59 HA PHE 9 HA PHE 9 14.074 11.047 -9.011
60 HB2 PHE 9 HB2 PHE 9 11.341 11.532 -7.790
61 HB3 PHE 9 HB1 PHE 9 12.250 12.677 -8.763
62 HD1 PHE 9 HD1 PHE 9 9.508 10.746 -8.883
63 HD2 PHE 9 HD2 PHE 9 13.109 11.326 -11.079
64 HE1 PHE 9 HE1 PHE 9 8.438 9.805 -10.885
65 HE2 PHE 9 HE2 PHE 9 12.036 10.401 -13.088
66 HZ PHE 9 HZ PHE 9 9.699 9.636 -12.991
67 H CYS 10 HN CYS 10 15.715 10.802 -7.394
68 HA CYS 10 HA CYS 10 15.440 12.971 -5.473
69 HB2 CYS 10 HB2 CYS 10 16.130 10.152 -4.767
70 HB3 CYS 10 HB1 CYS 10 16.940 11.456 -3.908
71 HN1 NH2 11 H1 CYS 10 16.715 14.255 -6.696
72 HN2 NH2 11 H2 CYS 10 18.385 13.942 -7.010
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 3.286 -1.334 0.452
2 H2 GLY 1 HT2 GLY 1 3.215 -2.948 -0.047
3 H3 GLY 1 HT3 GLY 1 1.890 -1.926 -0.292
4 HA2 GLY 1 HA1 GLY 1 4.543 -1.637 -1.574
5 HA3 GLY 1 HA2 GLY 1 3.101 -2.278 -2.348
6 H PHE 2 HN PHE 2 4.771 0.563 -1.287
7 HA PHE 2 HA PHE 2 2.655 2.220 -2.458
8 HB2 PHE 2 HB2 PHE 2 2.925 2.583 -0.042
9 HB3 PHE 2 HB1 PHE 2 4.641 2.881 -0.278
10 HD1 PHE 2 HD1 PHE 2 1.284 4.241 -0.588
11 HD2 PHE 2 HD2 PHE 2 5.416 4.933 -1.276
12 HE1 PHE 2 HE1 PHE 2 0.824 6.638 -0.882
13 HE2 PHE 2 HE2 PHE 2 4.969 7.338 -1.567
14 HZ PHE 2 HZ PHE 2 2.670 8.191 -1.371
15 H ARG 3 HN ARG 3 3.240 3.447 -4.190
16 HA ARG 3 HA ARG 3 5.969 3.337 -5.067
17 HB2 ARG 3 HB2 ARG 3 3.390 4.218 -6.173
18 HB3 ARG 3 HB1 ARG 3 4.860 4.875 -6.881
19 HG2 ARG 3 HG2 ARG 3 4.198 1.960 -6.603
20 HG3 ARG 3 HG1 ARG 3 4.056 2.907 -8.090
21 HD2 ARG 3 HD2 ARG 3 6.561 2.291 -6.540
22 HD3 ARG 3 HD1 ARG 3 6.118 1.662 -8.124
23 HE ARG 3 HE ARG 3 6.258 4.533 -8.078
24 HH11 ARG 3 HH11 ARG 3 8.184 1.630 -8.385
25 HH12 ARG 3 HH12 ARG 3 9.455 2.426 -9.246
26 HH21 ARG 3 HH21 ARG 3 7.907 5.571 -9.218
27 HH22 ARG 3 HH22 ARG 3 9.283 4.660 -9.752
28 H SER 4 HN SER 4 7.022 4.566 -3.546
29 HA SER 4 HA SER 4 6.435 7.405 -3.432
30 HB2 SER 4 HB2 SER 4 8.574 7.317 -1.949
31 HB3 SER 4 HB1 SER 4 7.092 6.591 -1.324
32 HG SER 4 HG SER 4 9.245 5.225 -2.595
33 HA PRO 5 HA PRO 5 9.108 8.005 -6.971
34 HB2 PRO 5 HB2 PRO 5 9.105 10.701 -6.951
35 HB3 PRO 5 HB1 PRO 5 7.751 9.732 -7.558
36 HG2 PRO 5 HG2 PRO 5 8.089 11.098 -4.912
37 HG3 PRO 5 HG1 PRO 5 6.648 10.998 -5.938
38 HD2 PRO 5 HD2 PRO 5 7.007 9.438 -3.757
39 HD3 PRO 5 HD1 PRO 5 6.106 8.898 -5.187
40 H CYS 6 HN CYS 6 10.554 7.279 -4.856
41 HA CYS 6 HA CYS 6 13.030 8.560 -5.276
42 HB2 CYS 6 HB2 CYS 6 12.046 10.256 -3.782
43 HB3 CYS 6 HB1 CYS 6 11.733 9.015 -2.576
44 HA PRO 7 HA PRO 7 14.138 7.209 -6.368
45 HB2 PRO 7 HB2 PRO 7 14.299 4.843 -7.647
46 HB3 PRO 7 HB1 PRO 7 15.530 5.356 -6.487
47 HG2 PRO 7 HG2 PRO 7 13.185 3.534 -6.065
48 HG3 PRO 7 HG1 PRO 7 14.878 3.281 -5.604
49 HD2 PRO 7 HD2 PRO 7 13.049 4.147 -3.838
50 HD3 PRO 7 HD1 PRO 7 14.730 4.717 -3.792
51 HA PRO 8 HA PRO 8 14.472 6.793 -8.493
52 HB2 PRO 8 HB2 PRO 8 13.991 7.096 -11.028
53 HB3 PRO 8 HB1 PRO 8 13.628 5.523 -10.298
54 HG2 PRO 8 HG2 PRO 8 11.754 7.745 -11.021
55 HG3 PRO 8 HG1 PRO 8 11.517 6.012 -11.226
56 HD2 PRO 8 HD2 PRO 8 10.607 7.594 -9.068
57 HD3 PRO 8 HD1 PRO 8 10.610 5.835 -9.109
58 H PHE 9 HN PHE 9 12.753 9.023 -7.296
59 HA PHE 9 HA PHE 9 14.018 11.021 -8.971
60 HB2 PHE 9 HB2 PHE 9 11.273 11.422 -7.750
61 HB3 PHE 9 HB1 PHE 9 12.155 12.616 -8.690
62 HD1 PHE 9 HD1 PHE 9 9.452 10.652 -8.889
63 HD2 PHE 9 HD2 PHE 9 13.082 11.294 -11.018
64 HE1 PHE 9 HE1 PHE 9 8.426 9.723 -10.925
65 HE2 PHE 9 HE2 PHE 9 12.056 10.381 -13.057
66 HZ PHE 9 HZ PHE 9 9.726 9.592 -13.011
67 H CYS 10 HN CYS 10 15.689 10.824 -7.393
68 HA CYS 10 HA CYS 10 15.453 12.972 -5.464
69 HB2 CYS 10 HB2 CYS 10 15.939 10.133 -4.682
70 HB3 CYS 10 HB1 CYS 10 16.845 11.387 -3.844
71 HN1 NH2 11 H1 CYS 10 16.749 13.868 -7.184
72 HN2 NH2 11 H2 CYS 10 18.449 13.562 -7.214
Start of MODEL 21
1 H1 GLY 1 HT1 GLY 1 -0.186 1.093 0.637
2 H2 GLY 1 HT2 GLY 1 0.674 -0.336 0.919
3 H3 GLY 1 HT3 GLY 1 0.542 0.281 -0.651
4 HA2 GLY 1 HA1 GLY 1 1.966 1.564 1.596
5 HA3 GLY 1 HA2 GLY 1 2.720 0.722 0.248
6 H PHE 2 HN PHE 2 3.072 3.479 1.060
7 HA PHE 2 HA PHE 2 1.736 5.037 -0.974
8 HB2 PHE 2 HB2 PHE 2 2.103 5.927 1.332
9 HB3 PHE 2 HB1 PHE 2 3.838 5.828 1.040
10 HD1 PHE 2 HD1 PHE 2 0.757 7.596 0.207
11 HD2 PHE 2 HD2 PHE 2 4.960 7.396 -0.353
12 HE1 PHE 2 HE1 PHE 2 0.729 9.865 -0.756
13 HE2 PHE 2 HE2 PHE 2 4.950 9.667 -1.312
14 HZ PHE 2 HZ PHE 2 2.829 10.902 -1.514
15 H ARG 3 HN ARG 3 2.640 5.465 -2.915
16 HA ARG 3 HA ARG 3 5.287 4.520 -3.461
17 HB2 ARG 3 HB2 ARG 3 3.526 4.170 -5.030
18 HB3 ARG 3 HB1 ARG 3 3.184 5.896 -5.050
19 HG2 ARG 3 HG2 ARG 3 5.456 6.263 -5.991
20 HG3 ARG 3 HG1 ARG 3 5.613 4.508 -6.142
21 HD2 ARG 3 HD2 ARG 3 3.735 4.405 -7.591
22 HD3 ARG 3 HD1 ARG 3 3.373 6.107 -7.311
23 HE ARG 3 HE ARG 3 5.990 5.827 -8.353
24 HH11 ARG 3 HH11 ARG 3 2.638 5.617 -9.360
25 HH12 ARG 3 HH12 ARG 3 2.967 6.097 -10.988
26 HH21 ARG 3 HH21 ARG 3 6.426 6.469 -10.490
27 HH22 ARG 3 HH22 ARG 3 5.135 6.584 -11.635
28 H SER 4 HN SER 4 6.692 5.873 -2.407
29 HA SER 4 HA SER 4 6.567 8.725 -2.888
30 HB2 SER 4 HB2 SER 4 7.320 7.764 -0.680
31 HB3 SER 4 HB1 SER 4 8.742 7.125 -1.505
32 HG SER 4 HG SER 4 7.993 9.853 -1.272
33 HA PRO 5 HA PRO 5 8.910 8.284 -6.663
34 HB2 PRO 5 HB2 PRO 5 9.546 10.898 -6.979
35 HB3 PRO 5 HB1 PRO 5 7.967 10.212 -7.399
36 HG2 PRO 5 HG2 PRO 5 8.800 11.769 -4.984
37 HG3 PRO 5 HG1 PRO 5 7.279 11.841 -5.890
38 HD2 PRO 5 HD2 PRO 5 7.536 10.536 -3.530
39 HD3 PRO 5 HD1 PRO 5 6.401 10.030 -4.798
40 H CYS 6 HN CYS 6 10.417 7.580 -4.449
41 HA CYS 6 HA CYS 6 13.033 8.333 -5.372
42 HB2 CYS 6 HB2 CYS 6 12.563 10.191 -3.861
43 HB3 CYS 6 HB1 CYS 6 12.182 9.065 -2.563
44 HA PRO 7 HA PRO 7 14.128 6.981 -6.343
45 HB2 PRO 7 HB2 PRO 7 14.017 4.621 -7.677
46 HB3 PRO 7 HB1 PRO 7 15.328 5.013 -6.557
47 HG2 PRO 7 HG2 PRO 7 12.869 3.367 -6.086
48 HG3 PRO 7 HG1 PRO 7 14.550 3.017 -5.639
49 HD2 PRO 7 HD2 PRO 7 12.775 3.993 -3.865
50 HD3 PRO 7 HD1 PRO 7 14.493 4.434 -3.816
51 HA PRO 8 HA PRO 8 14.440 6.753 -8.406
52 HB2 PRO 8 HB2 PRO 8 14.049 6.997 -10.959
53 HB3 PRO 8 HB1 PRO 8 13.598 5.462 -10.197
54 HG2 PRO 8 HG2 PRO 8 11.845 7.715 -11.087
55 HG3 PRO 8 HG1 PRO 8 11.520 5.987 -11.170
56 HD2 PRO 8 HD2 PRO 8 10.707 7.801 -9.127
57 HD3 PRO 8 HD1 PRO 8 10.507 6.052 -9.103
58 H PHE 9 HN PHE 9 12.766 9.092 -7.330
59 HA PHE 9 HA PHE 9 14.171 10.996 -9.007
60 HB2 PHE 9 HB2 PHE 9 11.430 11.584 -7.854
61 HB3 PHE 9 HB1 PHE 9 12.385 12.668 -8.851
62 HD1 PHE 9 HD1 PHE 9 9.584 10.833 -8.941
63 HD2 PHE 9 HD2 PHE 9 13.225 11.208 -11.110
64 HE1 PHE 9 HE1 PHE 9 8.504 9.864 -10.926
65 HE2 PHE 9 HE2 PHE 9 12.147 10.256 -13.102
66 HZ PHE 9 HZ PHE 9 9.782 9.577 -13.012
67 H CYS 10 HN CYS 10 15.782 10.782 -7.349
68 HA CYS 10 HA CYS 10 15.323 12.822 -5.297
69 HB2 CYS 10 HB2 CYS 10 16.331 10.081 -4.914
70 HB3 CYS 10 HB1 CYS 10 17.281 11.337 -4.126
71 HN1 NH2 11 H1 CYS 10 16.370 14.504 -6.049
72 HN2 NH2 11 H2 CYS 10 17.986 14.511 -6.655
Start of MODEL 22
1 H1 GLY 1 HT1 GLY 1 6.753 -0.595 1.248
2 H2 GLY 1 HT2 GLY 1 6.362 -2.162 1.752
3 H3 GLY 1 HT3 GLY 1 5.386 -0.861 2.202
4 HA2 GLY 1 HA1 GLY 1 5.790 -1.767 -0.585
5 HA3 GLY 1 HA2 GLY 1 4.404 -2.187 0.412
6 H PHE 2 HN PHE 2 6.222 0.791 -0.407
7 HA PHE 2 HA PHE 2 3.705 2.006 -1.216
8 HB2 PHE 2 HB2 PHE 2 4.196 2.654 1.140
9 HB3 PHE 2 HB1 PHE 2 5.753 3.277 0.608
10 HD1 PHE 2 HD1 PHE 2 2.247 3.931 0.949
11 HD2 PHE 2 HD2 PHE 2 5.827 5.214 -0.926
12 HE1 PHE 2 HE1 PHE 2 1.214 6.121 0.506
13 HE2 PHE 2 HE2 PHE 2 4.811 7.415 -1.374
14 HZ PHE 2 HZ PHE 2 2.499 7.870 -0.657
15 H ARG 3 HN ARG 3 3.982 2.870 -3.206
16 HA ARG 3 HA ARG 3 6.667 3.212 -4.183
17 HB2 ARG 3 HB2 ARG 3 3.962 3.383 -5.376
18 HB3 ARG 3 HB1 ARG 3 5.362 3.996 -6.247
19 HG2 ARG 3 HG2 ARG 3 5.028 1.190 -5.234
20 HG3 ARG 3 HG1 ARG 3 4.779 1.707 -6.904
21 HD2 ARG 3 HD2 ARG 3 7.357 1.848 -5.345
22 HD3 ARG 3 HD1 ARG 3 6.975 0.697 -6.617
23 HE ARG 3 HE ARG 3 7.219 3.611 -7.095
24 HH11 ARG 3 HH11 ARG 3 7.729 0.285 -8.090
25 HH12 ARG 3 HH12 ARG 3 8.566 0.717 -9.536
26 HH21 ARG 3 HH21 ARG 3 8.315 4.177 -9.006
27 HH22 ARG 3 HH22 ARG 3 8.907 2.940 -10.057
28 H SER 4 HN SER 4 7.477 4.892 -3.102
29 HA SER 4 HA SER 4 6.251 7.509 -3.584
30 HB2 SER 4 HB2 SER 4 7.114 6.775 -1.246
31 HB3 SER 4 HB1 SER 4 8.727 6.988 -1.923
32 HG SER 4 HG SER 4 8.365 8.959 -1.193
33 HA PRO 5 HA PRO 5 9.067 8.097 -6.964
34 HB2 PRO 5 HB2 PRO 5 9.209 10.802 -6.996
35 HB3 PRO 5 HB1 PRO 5 7.826 9.884 -7.616
36 HG2 PRO 5 HG2 PRO 5 8.172 11.283 -4.988
37 HG3 PRO 5 HG1 PRO 5 6.745 11.226 -6.041
38 HD2 PRO 5 HD2 PRO 5 6.978 9.696 -3.825
39 HD3 PRO 5 HD1 PRO 5 6.109 9.149 -5.273
40 H CYS 6 HN CYS 6 10.513 7.316 -4.891
41 HA CYS 6 HA CYS 6 13.034 8.471 -5.344
42 HB2 CYS 6 HB2 CYS 6 12.193 10.259 -3.894
43 HB3 CYS 6 HB1 CYS 6 11.802 9.082 -2.647
44 HA PRO 7 HA PRO 7 14.137 7.153 -6.334
45 HB2 PRO 7 HB2 PRO 7 14.285 4.760 -7.600
46 HB3 PRO 7 HB1 PRO 7 15.535 5.320 -6.482
47 HG2 PRO 7 HG2 PRO 7 13.273 3.419 -5.994
48 HG3 PRO 7 HG1 PRO 7 14.971 3.287 -5.500
49 HD2 PRO 7 HD2 PRO 7 13.027 4.106 -3.811
50 HD3 PRO 7 HD1 PRO 7 14.693 4.711 -3.714
51 HA PRO 8 HA PRO 8 14.478 6.809 -8.463
52 HB2 PRO 8 HB2 PRO 8 14.006 7.117 -10.995
53 HB3 PRO 8 HB1 PRO 8 13.649 5.539 -10.272
54 HG2 PRO 8 HG2 PRO 8 11.764 7.750 -11.009
55 HG3 PRO 8 HG1 PRO 8 11.530 6.014 -11.199
56 HD2 PRO 8 HD2 PRO 8 10.637 7.628 -9.043
57 HD3 PRO 8 HD1 PRO 8 10.599 5.867 -9.089
58 H PHE 9 HN PHE 9 12.733 9.061 -7.272
59 HA PHE 9 HA PHE 9 14.034 11.033 -8.950
60 HB2 PHE 9 HB2 PHE 9 11.284 11.477 -7.755
61 HB3 PHE 9 HB1 PHE 9 12.194 12.660 -8.686
62 HD1 PHE 9 HD1 PHE 9 9.477 10.732 -8.932
63 HD2 PHE 9 HD2 PHE 9 13.160 11.310 -10.982
64 HE1 PHE 9 HE1 PHE 9 8.490 9.795 -10.976
65 HE2 PHE 9 HE2 PHE 9 12.171 10.386 -13.031
66 HZ PHE 9 HZ PHE 9 9.833 9.623 -13.029
67 H CYS 10 HN CYS 10 15.692 10.830 -7.397
68 HA CYS 10 HA CYS 10 15.465 12.953 -5.430
69 HB2 CYS 10 HB2 CYS 10 16.048 10.108 -4.762
70 HB3 CYS 10 HB1 CYS 10 16.981 11.347 -3.929
71 HN1 NH2 11 H1 CYS 10 16.735 14.173 -6.769
72 HN2 NH2 11 H2 CYS 10 18.403 13.835 -7.061
Start of MODEL 23
1 H1 GLY 1 HT1 GLY 1 -0.298 -0.408 -1.596
2 H2 GLY 1 HT2 GLY 1 0.106 -1.842 -2.389
3 H3 GLY 1 HT3 GLY 1 -0.327 -0.477 -3.283
4 HA2 GLY 1 HA1 GLY 1 2.075 -0.717 -1.576
5 HA3 GLY 1 HA2 GLY 1 2.055 -0.839 -3.331
6 H PHE 2 HN PHE 2 3.098 1.140 -1.139
7 HA PHE 2 HA PHE 2 1.899 3.615 -2.033
8 HB2 PHE 2 HB2 PHE 2 2.593 3.158 0.358
9 HB3 PHE 2 HB1 PHE 2 4.258 3.149 -0.207
10 HD1 PHE 2 HD1 PHE 2 1.561 5.122 0.957
11 HD2 PHE 2 HD2 PHE 2 5.156 5.267 -1.298
12 HE1 PHE 2 HE1 PHE 2 1.675 7.560 1.310
13 HE2 PHE 2 HE2 PHE 2 5.284 7.705 -0.954
14 HZ PHE 2 HZ PHE 2 3.539 8.852 0.354
15 H ARG 3 HN ARG 3 2.621 4.463 -3.946
16 HA ARG 3 HA ARG 3 5.262 3.781 -4.859
17 HB2 ARG 3 HB2 ARG 3 3.327 3.835 -6.329
18 HB3 ARG 3 HB1 ARG 3 3.146 5.549 -5.980
19 HG2 ARG 3 HG2 ARG 3 5.331 5.980 -6.983
20 HG3 ARG 3 HG1 ARG 3 5.479 4.261 -7.368
21 HD2 ARG 3 HD2 ARG 3 3.502 4.374 -8.730
22 HD3 ARG 3 HD1 ARG 3 3.282 6.068 -8.304
23 HE ARG 3 HE ARG 3 5.850 5.685 -9.443
24 HH11 ARG 3 HH11 ARG 3 2.454 5.804 -10.373
25 HH12 ARG 3 HH12 ARG 3 2.791 6.356 -11.975
26 HH21 ARG 3 HH21 ARG 3 6.272 6.411 -11.591
27 HH22 ARG 3 HH22 ARG 3 4.952 6.700 -12.670
28 H SER 4 HN SER 4 6.667 4.830 -3.508
29 HA SER 4 HA SER 4 6.502 7.721 -3.253
30 HB2 SER 4 HB2 SER 4 7.170 6.328 -1.294
31 HB3 SER 4 HB1 SER 4 8.583 5.780 -2.192
32 HG SER 4 HG SER 4 9.295 7.451 -0.990
33 HA PRO 5 HA PRO 5 8.994 8.066 -6.981
34 HB2 PRO 5 HB2 PRO 5 9.280 10.745 -6.926
35 HB3 PRO 5 HB1 PRO 5 7.786 9.947 -7.448
36 HG2 PRO 5 HG2 PRO 5 8.469 11.190 -4.807
37 HG3 PRO 5 HG1 PRO 5 6.964 11.307 -5.736
38 HD2 PRO 5 HD2 PRO 5 7.243 9.652 -3.623
39 HD3 PRO 5 HD1 PRO 5 6.215 9.255 -5.016
40 H CYS 6 HN CYS 6 10.384 7.395 -4.550
41 HA CYS 6 HA CYS 6 12.969 8.486 -5.241
42 HB2 CYS 6 HB2 CYS 6 12.071 10.167 -3.671
43 HB3 CYS 6 HB1 CYS 6 11.844 8.910 -2.460
44 HA PRO 7 HA PRO 7 14.128 7.196 -6.329
45 HB2 PRO 7 HB2 PRO 7 14.239 4.840 -7.678
46 HB3 PRO 7 HB1 PRO 7 15.520 5.363 -6.579
47 HG2 PRO 7 HG2 PRO 7 13.255 3.469 -6.079
48 HG3 PRO 7 HG1 PRO 7 14.969 3.295 -5.657
49 HD2 PRO 7 HD2 PRO 7 13.137 4.065 -3.850
50 HD3 PRO 7 HD1 PRO 7 14.793 4.702 -3.833
51 HA PRO 8 HA PRO 8 14.453 6.789 -8.484
52 HB2 PRO 8 HB2 PRO 8 13.964 7.036 -11.026
53 HB3 PRO 8 HB1 PRO 8 13.599 5.484 -10.254
54 HG2 PRO 8 HG2 PRO 8 11.730 7.673 -11.065
55 HG3 PRO 8 HG1 PRO 8 11.473 5.935 -11.153
56 HD2 PRO 8 HD2 PRO 8 10.639 7.692 -9.081
57 HD3 PRO 8 HD1 PRO 8 10.538 5.935 -9.051
58 H PHE 9 HN PHE 9 12.767 9.084 -7.340
59 HA PHE 9 HA PHE 9 14.104 11.024 -9.034
60 HB2 PHE 9 HB2 PHE 9 11.375 11.563 -7.825
61 HB3 PHE 9 HB1 PHE 9 12.289 12.653 -8.855
62 HD1 PHE 9 HD1 PHE 9 9.508 10.786 -8.864
63 HD2 PHE 9 HD2 PHE 9 13.095 11.173 -11.122
64 HE1 PHE 9 HE1 PHE 9 8.390 9.793 -10.815
65 HE2 PHE 9 HE2 PHE 9 11.978 10.192 -13.079
66 HZ PHE 9 HZ PHE 9 9.623 9.497 -12.929
67 H CYS 10 HN CYS 10 15.743 10.802 -7.379
68 HA CYS 10 HA CYS 10 15.403 12.958 -5.450
69 HB2 CYS 10 HB2 CYS 10 16.027 10.135 -4.729
70 HB3 CYS 10 HB1 CYS 10 16.878 11.410 -3.864
71 HN1 NH2 11 H1 CYS 10 16.646 13.967 -7.148
72 HN2 NH2 11 H2 CYS 10 18.361 13.770 -7.171
Start of MODEL 24
1 H1 GLY 1 HT1 GLY 1 6.139 -2.598 -0.647
2 H2 GLY 1 HT2 GLY 1 5.508 -4.115 -1.050
3 H3 GLY 1 HT3 GLY 1 4.567 -3.008 -0.189
4 HA2 GLY 1 HA1 GLY 1 5.512 -2.675 -2.971
5 HA3 GLY 1 HA2 GLY 1 3.881 -3.112 -2.482
6 H PHE 2 HN PHE 2 6.318 -0.585 -1.797
7 HA PHE 2 HA PHE 2 4.130 1.355 -1.770
8 HB2 PHE 2 HB2 PHE 2 5.655 0.960 0.290
9 HB3 PHE 2 HB1 PHE 2 6.879 1.797 -0.661
10 HD1 PHE 2 HD1 PHE 2 4.004 2.107 1.398
11 HD2 PHE 2 HD2 PHE 2 6.435 4.145 -1.422
12 HE1 PHE 2 HE1 PHE 2 3.074 4.257 2.167
13 HE2 PHE 2 HE2 PHE 2 5.514 6.303 -0.663
14 HZ PHE 2 HZ PHE 2 3.833 6.359 1.134
15 H ARG 3 HN ARG 3 4.048 2.494 -3.646
16 HA ARG 3 HA ARG 3 6.548 2.950 -5.057
17 HB2 ARG 3 HB2 ARG 3 3.688 3.309 -5.748
18 HB3 ARG 3 HB1 ARG 3 4.961 4.031 -6.724
19 HG2 ARG 3 HG2 ARG 3 4.668 1.100 -6.126
20 HG3 ARG 3 HG1 ARG 3 4.193 1.883 -7.635
21 HD2 ARG 3 HD2 ARG 3 6.979 1.703 -6.491
22 HD3 ARG 3 HD1 ARG 3 6.363 0.796 -7.865
23 HE ARG 3 HE ARG 3 6.954 3.684 -7.820
24 HH11 ARG 3 HH11 ARG 3 6.157 0.790 -9.647
25 HH12 ARG 3 HH12 ARG 3 6.546 1.497 -11.174
26 HH21 ARG 3 HH21 ARG 3 7.484 4.614 -9.836
27 HH22 ARG 3 HH22 ARG 3 7.315 3.682 -11.286
28 H SER 4 HN SER 4 7.610 4.513 -4.030
29 HA SER 4 HA SER 4 6.275 7.137 -3.937
30 HB2 SER 4 HB2 SER 4 7.915 7.814 -2.265
31 HB3 SER 4 HB1 SER 4 7.166 6.311 -1.737
32 HG SER 4 HG SER 4 9.629 6.663 -1.765
33 HA PRO 5 HA PRO 5 9.123 8.250 -7.142
34 HB2 PRO 5 HB2 PRO 5 9.317 10.888 -6.894
35 HB3 PRO 5 HB1 PRO 5 7.801 10.109 -7.381
36 HG2 PRO 5 HG2 PRO 5 8.614 11.206 -4.718
37 HG3 PRO 5 HG1 PRO 5 7.045 11.311 -5.534
38 HD2 PRO 5 HD2 PRO 5 7.656 9.501 -3.546
39 HD3 PRO 5 HD1 PRO 5 6.381 9.273 -4.759
40 H CYS 6 HN CYS 6 10.424 7.353 -4.739
41 HA CYS 6 HA CYS 6 13.024 8.456 -5.219
42 HB2 CYS 6 HB2 CYS 6 11.993 10.121 -3.659
43 HB3 CYS 6 HB1 CYS 6 11.845 8.840 -2.461
44 HA PRO 7 HA PRO 7 14.135 7.157 -6.278
45 HB2 PRO 7 HB2 PRO 7 14.320 4.818 -7.630
46 HB3 PRO 7 HB1 PRO 7 15.539 5.317 -6.451
47 HG2 PRO 7 HG2 PRO 7 13.233 3.435 -6.104
48 HG3 PRO 7 HG1 PRO 7 14.920 3.239 -5.592
49 HD2 PRO 7 HD2 PRO 7 12.981 4.017 -3.887
50 HD3 PRO 7 HD1 PRO 7 14.652 4.602 -3.749
51 HA PRO 8 HA PRO 8 14.493 6.846 -8.423
52 HB2 PRO 8 HB2 PRO 8 14.046 7.077 -10.964
53 HB3 PRO 8 HB1 PRO 8 13.672 5.524 -10.196
54 HG2 PRO 8 HG2 PRO 8 11.810 7.703 -11.052
55 HG3 PRO 8 HG1 PRO 8 11.551 5.963 -11.127
56 HD2 PRO 8 HD2 PRO 8 10.731 7.760 -9.065
57 HD3 PRO 8 HD1 PRO 8 10.562 6.007 -9.039
58 H PHE 9 HN PHE 9 12.723 9.130 -7.321
59 HA PHE 9 HA PHE 9 14.057 11.060 -9.034
60 HB2 PHE 9 HB2 PHE 9 11.335 11.593 -7.806
61 HB3 PHE 9 HB1 PHE 9 12.238 12.690 -8.840
62 HD1 PHE 9 HD1 PHE 9 9.467 10.799 -8.840
63 HD2 PHE 9 HD2 PHE 9 13.050 11.221 -11.107
64 HE1 PHE 9 HE1 PHE 9 8.354 9.792 -10.790
65 HE2 PHE 9 HE2 PHE 9 11.937 10.228 -13.061
66 HZ PHE 9 HZ PHE 9 9.586 9.509 -12.901
67 H CYS 10 HN CYS 10 15.686 10.805 -7.394
68 HA CYS 10 HA CYS 10 15.470 13.007 -5.515
69 HB2 CYS 10 HB2 CYS 10 16.038 10.178 -4.709
70 HB3 CYS 10 HB1 CYS 10 16.793 11.502 -3.833
71 HN1 NH2 11 H1 CYS 10 16.940 14.262 -6.399
72 HN2 NH2 11 H2 CYS 10 18.559 13.811 -6.792
Start of MODEL 25
1 H1 GLY 1 HT1 GLY 1 1.177 1.053 -0.110
2 H2 GLY 1 HT2 GLY 1 0.101 -0.242 -0.217
3 H3 GLY 1 HT3 GLY 1 -0.486 1.336 -0.176
4 HA2 GLY 1 HA1 GLY 1 1.139 0.141 -2.339
5 HA3 GLY 1 HA2 GLY 1 -0.589 0.433 -2.403
6 H PHE 2 HN PHE 2 1.998 2.534 -1.118
7 HA PHE 2 HA PHE 2 1.141 4.564 -3.036
8 HB2 PHE 2 HB2 PHE 2 1.012 5.146 -0.614
9 HB3 PHE 2 HB1 PHE 2 2.747 4.856 -0.495
10 HD1 PHE 2 HD1 PHE 2 0.162 7.133 -1.626
11 HD2 PHE 2 HD2 PHE 2 4.332 6.364 -1.525
12 HE1 PHE 2 HE1 PHE 2 0.597 9.475 -2.253
13 HE2 PHE 2 HE2 PHE 2 4.789 8.708 -2.144
14 HZ PHE 2 HZ PHE 2 2.917 10.266 -2.511
15 H ARG 3 HN ARG 3 2.506 5.002 -4.685
16 HA ARG 3 HA ARG 3 5.127 3.851 -4.638
17 HB2 ARG 3 HB2 ARG 3 3.751 3.715 -6.591
18 HB3 ARG 3 HB1 ARG 3 3.611 5.470 -6.616
19 HG2 ARG 3 HG2 ARG 3 5.999 5.661 -7.038
20 HG3 ARG 3 HG1 ARG 3 6.138 3.900 -7.029
21 HD2 ARG 3 HD2 ARG 3 4.755 3.704 -8.925
22 HD3 ARG 3 HD1 ARG 3 4.315 5.409 -8.851
23 HE ARG 3 HE ARG 3 6.988 5.521 -9.138
24 HH11 ARG 3 HH11 ARG 3 4.519 3.797 -10.935
25 HH12 ARG 3 HH12 ARG 3 5.407 3.811 -12.419
26 HH21 ARG 3 HH21 ARG 3 8.151 5.576 -11.107
27 HH22 ARG 3 HH22 ARG 3 7.487 4.827 -12.515
28 H SER 4 HN SER 4 6.301 5.032 -3.176
29 HA SER 4 HA SER 4 6.459 7.875 -3.225
30 HB2 SER 4 HB2 SER 4 7.039 6.512 -1.224
31 HB3 SER 4 HB1 SER 4 8.437 5.877 -2.089
32 HG SER 4 HG SER 4 8.893 7.672 -0.677
33 HA PRO 5 HA PRO 5 8.984 7.983 -6.928
34 HB2 PRO 5 HB2 PRO 5 9.322 10.639 -7.018
35 HB3 PRO 5 HB1 PRO 5 7.800 9.856 -7.482
36 HG2 PRO 5 HG2 PRO 5 8.545 11.242 -4.931
37 HG3 PRO 5 HG1 PRO 5 7.025 11.323 -5.839
38 HD2 PRO 5 HD2 PRO 5 7.351 9.786 -3.626
39 HD3 PRO 5 HD1 PRO 5 6.244 9.363 -4.947
40 H CYS 6 HN CYS 6 10.361 7.368 -4.501
41 HA CYS 6 HA CYS 6 12.937 8.494 -5.186
42 HB2 CYS 6 HB2 CYS 6 11.951 10.122 -3.593
43 HB3 CYS 6 HB1 CYS 6 11.814 8.838 -2.397
44 HA PRO 7 HA PRO 7 14.097 7.272 -6.259
45 HB2 PRO 7 HB2 PRO 7 14.432 4.984 -7.648
46 HB3 PRO 7 HB1 PRO 7 15.597 5.514 -6.427
47 HG2 PRO 7 HG2 PRO 7 13.390 3.503 -6.191
48 HG3 PRO 7 HG1 PRO 7 15.071 3.388 -5.634
49 HD2 PRO 7 HD2 PRO 7 13.017 4.028 -3.982
50 HD3 PRO 7 HD1 PRO 7 14.664 4.645 -3.749
51 HA PRO 8 HA PRO 8 14.542 6.876 -8.441
52 HB2 PRO 8 HB2 PRO 8 14.152 7.108 -10.978
53 HB3 PRO 8 HB1 PRO 8 13.735 5.555 -10.235
54 HG2 PRO 8 HG2 PRO 8 11.929 7.799 -11.052
55 HG3 PRO 8 HG1 PRO 8 11.664 6.071 -11.258
56 HD2 PRO 8 HD2 PRO 8 10.722 7.689 -9.134
57 HD3 PRO 8 HD1 PRO 8 10.687 5.924 -9.180
58 H PHE 9 HN PHE 9 12.706 9.101 -7.371
59 HA PHE 9 HA PHE 9 14.022 11.071 -9.037
60 HB2 PHE 9 HB2 PHE 9 11.285 11.488 -7.801
61 HB3 PHE 9 HB1 PHE 9 12.166 12.669 -8.760
62 HD1 PHE 9 HD1 PHE 9 9.422 10.793 -8.948
63 HD2 PHE 9 HD2 PHE 9 13.092 11.241 -11.063
64 HE1 PHE 9 HE1 PHE 9 8.374 9.870 -10.971
65 HE2 PHE 9 HE2 PHE 9 12.040 10.327 -13.088
66 HZ PHE 9 HZ PHE 9 9.681 9.636 -13.042
67 H CYS 10 HN CYS 10 15.669 10.800 -7.442
68 HA CYS 10 HA CYS 10 15.472 12.960 -5.517
69 HB2 CYS 10 HB2 CYS 10 15.969 10.110 -4.740
70 HB3 CYS 10 HB1 CYS 10 16.784 11.397 -3.857
71 HN1 NH2 11 H1 CYS 10 16.875 14.089 -6.786
72 HN2 NH2 11 H2 CYS 10 18.535 13.655 -6.988
Start of MODEL 26
1 H1 GLY 1 HT1 GLY 1 0.278 0.398 0.702
2 H2 GLY 1 HT2 GLY 1 0.704 -1.234 0.722
3 H3 GLY 1 HT3 GLY 1 0.137 -0.527 -0.701
4 HA2 GLY 1 HA1 GLY 1 2.672 0.146 0.665
5 HA3 GLY 1 HA2 GLY 1 2.517 -0.804 -0.807
6 H PHE 2 HN PHE 2 3.066 2.251 0.416
7 HA PHE 2 HA PHE 2 1.891 3.705 -1.785
8 HB2 PHE 2 HB2 PHE 2 1.943 4.605 0.554
9 HB3 PHE 2 HB1 PHE 2 3.700 4.663 0.434
10 HD1 PHE 2 HD1 PHE 2 0.582 6.215 -0.527
11 HD2 PHE 2 HD2 PHE 2 4.794 6.260 -1.042
12 HE1 PHE 2 HE1 PHE 2 0.430 8.471 -1.506
13 HE2 PHE 2 HE2 PHE 2 4.660 8.518 -2.021
14 HZ PHE 2 HZ PHE 2 2.474 9.625 -2.254
15 H ARG 3 HN ARG 3 2.954 4.071 -3.633
16 HA ARG 3 HA ARG 3 5.728 3.383 -3.832
17 HB2 ARG 3 HB2 ARG 3 4.120 2.752 -5.503
18 HB3 ARG 3 HB1 ARG 3 3.711 4.445 -5.741
19 HG2 ARG 3 HG2 ARG 3 5.980 4.864 -6.552
20 HG3 ARG 3 HG1 ARG 3 6.342 3.142 -6.373
21 HD2 ARG 3 HD2 ARG 3 4.653 2.565 -7.940
22 HD3 ARG 3 HD1 ARG 3 4.096 4.234 -8.018
23 HE ARG 3 HE ARG 3 6.830 4.055 -8.741
24 HH11 ARG 3 HH11 ARG 3 3.618 3.382 -9.958
25 HH12 ARG 3 HH12 ARG 3 4.059 3.583 -11.615
26 HH21 ARG 3 HH21 ARG 3 7.420 4.316 -10.949
27 HH22 ARG 3 HH22 ARG 3 6.227 4.112 -12.181
28 H SER 4 HN SER 4 6.824 4.953 -2.703
29 HA SER 4 HA SER 4 6.417 7.737 -3.168
30 HB2 SER 4 HB2 SER 4 8.689 7.808 -1.881
31 HB3 SER 4 HB1 SER 4 7.235 7.285 -1.030
32 HG SER 4 HG SER 4 9.443 5.963 -1.190
33 HA PRO 5 HA PRO 5 8.896 8.008 -6.865
34 HB2 PRO 5 HB2 PRO 5 9.209 10.679 -6.915
35 HB3 PRO 5 HB1 PRO 5 7.690 9.884 -7.358
36 HG2 PRO 5 HG2 PRO 5 8.473 11.235 -4.802
37 HG3 PRO 5 HG1 PRO 5 6.929 11.301 -5.670
38 HD2 PRO 5 HD2 PRO 5 7.334 9.742 -3.491
39 HD3 PRO 5 HD1 PRO 5 6.211 9.312 -4.798
40 H CYS 6 HN CYS 6 10.363 7.373 -4.506
41 HA CYS 6 HA CYS 6 12.932 8.432 -5.278
42 HB2 CYS 6 HB2 CYS 6 12.093 10.153 -3.720
43 HB3 CYS 6 HB1 CYS 6 11.881 8.921 -2.481
44 HA PRO 7 HA PRO 7 14.120 7.170 -6.282
45 HB2 PRO 7 HB2 PRO 7 14.304 4.844 -7.650
46 HB3 PRO 7 HB1 PRO 7 15.523 5.339 -6.469
47 HG2 PRO 7 HG2 PRO 7 13.231 3.437 -6.143
48 HG3 PRO 7 HG1 PRO 7 14.915 3.256 -5.618
49 HD2 PRO 7 HD2 PRO 7 12.937 4.014 -3.935
50 HD3 PRO 7 HD1 PRO 7 14.609 4.580 -3.757
51 HA PRO 8 HA PRO 8 14.524 6.855 -8.387
52 HB2 PRO 8 HB2 PRO 8 14.159 7.098 -10.947
53 HB3 PRO 8 HB1 PRO 8 13.787 5.537 -10.196
54 HG2 PRO 8 HG2 PRO 8 11.922 7.679 -11.118
55 HG3 PRO 8 HG1 PRO 8 11.692 5.937 -11.184
56 HD2 PRO 8 HD2 PRO 8 10.770 7.735 -9.170
57 HD3 PRO 8 HD1 PRO 8 10.637 5.979 -9.139
58 H PHE 9 HN PHE 9 12.722 9.100 -7.330
59 HA PHE 9 HA PHE 9 14.037 11.063 -9.017
60 HB2 PHE 9 HB2 PHE 9 11.326 11.536 -7.754
61 HB3 PHE 9 HB1 PHE 9 12.200 12.658 -8.787
62 HD1 PHE 9 HD1 PHE 9 9.471 10.711 -8.777
63 HD2 PHE 9 HD2 PHE 9 13.022 11.229 -11.066
64 HE1 PHE 9 HE1 PHE 9 8.375 9.680 -10.718
65 HE2 PHE 9 HE2 PHE 9 11.921 10.214 -13.014
66 HZ PHE 9 HZ PHE 9 9.595 9.433 -12.837
67 H CYS 10 HN CYS 10 15.685 10.809 -7.416
68 HA CYS 10 HA CYS 10 15.469 12.980 -5.501
69 HB2 CYS 10 HB2 CYS 10 16.083 10.146 -4.769
70 HB3 CYS 10 HB1 CYS 10 16.898 11.442 -3.903
71 HN1 NH2 11 H1 CYS 10 16.800 14.203 -6.736
72 HN2 NH2 11 H2 CYS 10 18.460 13.829 -7.036
Start of MODEL 27
1 H1 GLY 1 HT1 GLY 1 4.828 -3.214 -0.274
2 H2 GLY 1 HT2 GLY 1 4.995 -4.626 -1.189
3 H3 GLY 1 HT3 GLY 1 3.616 -3.654 -1.364
4 HA2 GLY 1 HA1 GLY 1 6.379 -2.858 -2.063
5 HA3 GLY 1 HA2 GLY 1 5.132 -3.338 -3.207
6 H PHE 2 HN PHE 2 6.678 -0.722 -2.176
7 HA PHE 2 HA PHE 2 4.314 0.997 -2.372
8 HB2 PHE 2 HB2 PHE 2 5.449 0.964 -0.120
9 HB3 PHE 2 HB1 PHE 2 6.894 1.574 -0.918
10 HD1 PHE 2 HD1 PHE 2 3.812 2.407 0.627
11 HD2 PHE 2 HD2 PHE 2 6.742 3.809 -2.102
12 HE1 PHE 2 HE1 PHE 2 3.004 4.707 0.961
13 HE2 PHE 2 HE2 PHE 2 5.944 6.122 -1.775
14 HZ PHE 2 HZ PHE 2 4.075 6.569 -0.244
15 H ARG 3 HN ARG 3 4.333 2.011 -4.323
16 HA ARG 3 HA ARG 3 6.871 2.499 -5.616
17 HB2 ARG 3 HB2 ARG 3 4.026 2.903 -6.363
18 HB3 ARG 3 HB1 ARG 3 5.299 3.703 -7.274
19 HG2 ARG 3 HG2 ARG 3 4.961 0.742 -6.881
20 HG3 ARG 3 HG1 ARG 3 4.648 1.645 -8.367
21 HD2 ARG 3 HD2 ARG 3 7.304 1.203 -7.008
22 HD3 ARG 3 HD1 ARG 3 6.780 0.551 -8.554
23 HE ARG 3 HE ARG 3 6.838 3.446 -8.422
24 HH11 ARG 3 HH11 ARG 3 8.637 0.540 -9.208
25 HH12 ARG 3 HH12 ARG 3 9.759 1.355 -10.234
26 HH21 ARG 3 HH21 ARG 3 8.325 4.539 -9.783
27 HH22 ARG 3 HH22 ARG 3 9.583 3.647 -10.559
28 H SER 4 HN SER 4 7.922 3.962 -4.497
29 HA SER 4 HA SER 4 6.660 6.518 -3.927
30 HB2 SER 4 HB2 SER 4 8.831 6.973 -2.742
31 HB3 SER 4 HB1 SER 4 7.963 5.572 -2.115
32 HG SER 4 HG SER 4 9.732 4.518 -2.499
33 HA PRO 5 HA PRO 5 9.160 8.192 -7.277
34 HB2 PRO 5 HB2 PRO 5 8.951 10.799 -6.825
35 HB3 PRO 5 HB1 PRO 5 7.551 9.836 -7.326
36 HG2 PRO 5 HG2 PRO 5 8.212 10.988 -4.667
37 HG3 PRO 5 HG1 PRO 5 6.627 10.642 -5.376
38 HD2 PRO 5 HD2 PRO 5 8.080 9.042 -3.522
39 HD3 PRO 5 HD1 PRO 5 6.560 8.642 -4.351
40 H CYS 6 HN CYS 6 10.558 7.280 -4.935
41 HA CYS 6 HA CYS 6 13.043 8.603 -5.268
42 HB2 CYS 6 HB2 CYS 6 11.966 10.270 -3.809
43 HB3 CYS 6 HB1 CYS 6 11.624 9.018 -2.622
44 HA PRO 7 HA PRO 7 14.136 7.252 -6.363
45 HB2 PRO 7 HB2 PRO 7 14.375 4.864 -7.616
46 HB3 PRO 7 HB1 PRO 7 15.611 5.468 -6.506
47 HG2 PRO 7 HG2 PRO 7 13.412 3.500 -6.000
48 HG3 PRO 7 HG1 PRO 7 15.118 3.413 -5.525
49 HD2 PRO 7 HD2 PRO 7 13.174 4.178 -3.812
50 HD3 PRO 7 HD1 PRO 7 14.823 4.831 -3.733
51 HA PRO 8 HA PRO 8 14.453 6.811 -8.530
52 HB2 PRO 8 HB2 PRO 8 13.878 7.095 -11.048
53 HB3 PRO 8 HB1 PRO 8 13.578 5.519 -10.296
54 HG2 PRO 8 HG2 PRO 8 11.631 7.676 -11.006
55 HG3 PRO 8 HG1 PRO 8 11.415 5.932 -11.122
56 HD2 PRO 8 HD2 PRO 8 10.615 7.631 -8.990
57 HD3 PRO 8 HD1 PRO 8 10.536 5.875 -8.985
58 H PHE 9 HN PHE 9 12.758 9.047 -7.287
59 HA PHE 9 HA PHE 9 14.007 11.041 -8.989
60 HB2 PHE 9 HB2 PHE 9 11.307 11.520 -7.699
61 HB3 PHE 9 HB1 PHE 9 12.174 12.631 -8.745
62 HD1 PHE 9 HD1 PHE 9 9.448 10.651 -8.665
63 HD2 PHE 9 HD2 PHE 9 12.913 11.265 -11.059
64 HE1 PHE 9 HE1 PHE 9 8.289 9.658 -10.598
65 HE2 PHE 9 HE2 PHE 9 11.759 10.290 -12.991
66 HZ PHE 9 HZ PHE 9 9.444 9.481 -12.765
67 H CYS 10 HN CYS 10 15.689 10.847 -7.413
68 HA CYS 10 HA CYS 10 15.466 12.948 -5.448
69 HB2 CYS 10 HB2 CYS 10 15.812 10.090 -4.686
70 HB3 CYS 10 HB1 CYS 10 16.764 11.288 -3.815
71 HN1 NH2 11 H1 CYS 10 16.974 14.153 -6.390
72 HN2 NH2 11 H2 CYS 10 18.598 13.653 -6.701
Contact the webmaster for help, if required. Sunday, May 19, 2024 9:19:01 PM GMT (wattos1)