Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
19251 | 2efz RC | 15195 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 1 H VAL 1 6.583 3.603 5.218
2 HA VAL 1 HA VAL 1 6.082 1.862 7.350
3 HB VAL 1 HB VAL 1 3.823 2.688 7.997
4 1HG1 VAL 1 1HG1 VAL 1 6.047 4.680 8.605
5 2HG1 VAL 1 2HG1 VAL 1 4.569 4.418 9.552
6 3HG1 VAL 1 3HG1 VAL 1 5.783 3.131 9.435
7 1HG2 VAL 1 1HG2 VAL 1 3.343 4.146 6.042
8 2HG2 VAL 1 2HG2 VAL 1 3.162 5.010 7.575
9 3HG2 VAL 1 3HG2 VAL 1 4.603 5.276 6.578
10 H CYS 2 H CYS 2 3.887 0.689 6.830
11 HA CYS 2 HA CYS 2 3.937 0.061 3.978
12 2HB CYS 2 HB2 CYS 2 1.820 -0.950 5.869
13 H CYS 3 H CYS 3 1.724 -0.035 2.783
14 HA CYS 3 HA CYS 3 0.272 2.520 3.245
15 2HB CYS 3 HB2 CYS 3 -0.822 2.007 1.155
16 HA PRO 4 HA PRO 4 -2.418 -0.319 5.555
17 2HB PRO 4 HB2 PRO 4 -2.910 1.418 6.962
18 2HG PRO 4 HG2 PRO 4 -3.090 3.672 6.150
19 2HD PRO 4 HD2 PRO 4 -0.961 2.847 5.443
20 H PHE 5 H PHE 5 -4.581 -1.373 5.242
21 HA PHE 5 HA PHE 5 -5.616 -1.914 2.789
22 2HB PHE 5 HB2 PHE 5 -7.916 -2.007 3.787
23 HD1 PHE 5 HD2 PHE 5 -4.994 -3.717 3.946
24 HD2 PHE 5 HD1 PHE 5 -8.509 -3.064 6.370
25 HE1 PHE 5 HE2 PHE 5 -4.638 -5.877 5.055
26 HE2 PHE 5 HE1 PHE 5 -8.166 -5.270 7.441
27 HZ PHE 5 HZ PHE 5 -6.222 -6.681 6.788
28 H GLY 6 H GLY 6 -6.716 0.969 4.616
29 1HA GLY 6 HA2 GLY 6 -8.080 2.106 2.265
30 2HA GLY 6 HA3 GLY 6 -7.901 2.827 3.871
31 H GLY 7 H GLY 7 -5.641 1.669 1.313
32 1HA GLY 7 HA2 GLY 7 -4.531 4.292 0.766
33 2HA GLY 7 HA3 GLY 7 -3.539 3.385 1.921
34 H CYS 8 H CYS 8 -3.675 0.787 0.999
35 HA CYS 8 HA CYS 8 -1.648 0.811 -0.910
36 2HB CYS 8 HB2 CYS 8 -3.526 -1.441 -0.127
37 H HIS 9 H HIS 9 -1.488 0.851 -3.060
38 HA HIS 9 HA HIS 9 -3.623 -0.066 -4.796
39 2HB HIS 9 HB2 HIS 9 -3.055 1.840 -6.354
40 HD1 HIS 9 HD1 HIS 9 -3.901 3.178 -2.790
41 HD2 HIS 9 HD2 HIS 9 -5.599 2.401 -6.567
42 HE1 HIS 9 HE1 HIS 9 -6.291 4.053 -2.713
43 H GLU 10 H GLU 10 -2.382 -0.281 -7.026
44 HA GLU 10 HA GLU 10 -0.336 -2.102 -6.765
45 2HB GLU 10 HB2 GLU 10 -0.010 -1.851 -9.156
46 2HG GLU 10 HG2 GLU 10 -2.918 -1.049 -8.669
47 H LEU 11 H LEU 11 -0.054 1.382 -6.899
48 HA LEU 11 HA LEU 11 2.616 1.762 -7.595
49 2HB LEU 11 HB2 LEU 11 2.228 3.878 -6.182
50 HG LEU 11 HG LEU 11 0.413 2.996 -8.432
51 1HD1 LEU 11 1HD1 LEU 11 -0.963 4.489 -7.028
52 2HD1 LEU 11 2HD1 LEU 11 0.338 5.701 -7.021
53 3HD1 LEU 11 3HD1 LEU 11 -0.501 5.299 -8.534
54 1HD2 LEU 11 1HD2 LEU 11 2.763 3.585 -8.974
55 2HD2 LEU 11 2HD2 LEU 11 1.624 4.745 -9.674
56 3HD2 LEU 11 3HD2 LEU 11 2.537 5.175 -8.215
57 H CYS 12 H CYS 12 1.228 0.612 -4.538
58 HA CYS 12 HA CYS 12 3.682 1.406 -3.042
59 2HB CYS 12 HB2 CYS 12 0.955 0.618 -1.981
60 H TYR 13 H TYR 13 5.194 -0.188 -3.142
61 HA TYR 13 HA TYR 13 4.894 -2.832 -3.693
62 2HB TYR 13 HB2 TYR 13 7.113 -2.685 -2.133
63 HD1 TYR 13 HD1 TYR 13 6.564 -0.265 -4.963
64 HD2 TYR 13 HD2 TYR 13 8.276 -4.022 -3.702
65 HE1 TYR 13 HE1 TYR 13 7.708 -0.477 -7.140
66 HE2 TYR 13 HE2 TYR 13 9.429 -4.221 -5.886
67 HH TYR 13 HH TYR 13 9.115 -1.755 -8.449
68 H CYS 14 H CYS 14 4.981 -1.342 -0.419
69 HA CYS 14 HA CYS 14 5.214 -3.834 0.924
70 2HB CYS 14 HB2 CYS 14 4.263 -1.144 1.976
71 H CYS 15 H CYS 15 2.355 -1.745 0.656
72 HA CYS 15 HA CYS 15 0.161 -2.074 0.758
73 2HB CYS 15 HB2 CYS 15 0.856 -4.704 -0.560
74 H ASP 16 H ASP 16 -0.489 -2.213 2.876
75 HA ASP 16 HA ASP 16 -0.384 -4.385 4.669
76 2HB ASP 16 HB2 ASP 16 -2.393 -2.192 4.148
Start of MODEL 2
1 1H VAL 1 H VAL 1 6.813 4.380 4.530
2 HA VAL 1 HA VAL 1 6.790 2.494 6.594
3 HB VAL 1 HB VAL 1 4.575 3.067 7.603
4 1HG1 VAL 1 1HG1 VAL 1 6.715 5.185 8.058
5 2HG1 VAL 1 2HG1 VAL 1 5.404 4.749 9.170
6 3HG1 VAL 1 3HG1 VAL 1 6.675 3.571 8.796
7 1HG2 VAL 1 1HG2 VAL 1 4.955 5.809 6.315
8 2HG2 VAL 1 2HG2 VAL 1 3.729 4.614 5.842
9 3HG2 VAL 1 3HG2 VAL 1 3.683 5.337 7.456
10 H CYS 2 H CYS 2 4.640 1.169 6.342
11 HA CYS 2 HA CYS 2 4.284 0.599 3.510
12 2HB CYS 2 HB2 CYS 2 2.443 -0.457 5.655
13 H CYS 3 H CYS 3 1.932 0.474 2.623
14 HA CYS 3 HA CYS 3 0.317 2.795 3.582
15 2HB CYS 3 HB2 CYS 3 -1.250 2.111 1.847
16 HA PRO 4 HA PRO 4 -1.922 -0.355 6.007
17 2HB PRO 4 HB2 PRO 4 -2.702 1.375 7.345
18 2HG PRO 4 HG2 PRO 4 -3.219 3.529 6.421
19 2HD PRO 4 HD2 PRO 4 -0.984 3.090 5.736
20 H PHE 5 H PHE 5 -3.700 -1.833 5.496
21 HA PHE 5 HA PHE 5 -4.362 -2.325 2.893
22 2HB PHE 5 HB2 PHE 5 -5.944 -2.802 5.458
23 HD1 PHE 5 HD1 PHE 5 -5.115 -4.746 2.392
24 HD2 PHE 5 HD2 PHE 5 -8.226 -3.073 4.828
25 HE1 PHE 5 HE1 PHE 5 -6.830 -5.895 0.979
26 HE2 PHE 5 HE2 PHE 5 -9.949 -4.211 3.432
27 HZ PHE 5 HZ PHE 5 -9.248 -5.625 1.508
28 H GLY 6 H GLY 6 -6.250 -0.327 5.170
29 1HA GLY 6 HA2 GLY 6 -8.121 0.634 3.116
30 2HA GLY 6 HA3 GLY 6 -7.957 1.202 4.783
31 H GLY 7 H GLY 7 -5.916 1.061 1.824
32 1HA GLY 7 HA2 GLY 7 -5.669 3.851 1.391
33 2HA GLY 7 HA3 GLY 7 -4.342 3.353 2.459
34 H CYS 8 H CYS 8 -3.862 0.763 1.469
35 HA CYS 8 HA CYS 8 -1.947 1.214 -0.465
36 2HB CYS 8 HB2 CYS 8 -3.473 -1.317 0.227
37 H HIS 9 H HIS 9 -1.800 1.313 -2.643
38 HA HIS 9 HA HIS 9 -3.888 0.202 -4.332
39 2HB HIS 9 HB2 HIS 9 -3.404 2.040 -5.969
40 HD1 HIS 9 HD1 HIS 9 -4.422 3.170 -2.341
41 HD2 HIS 9 HD2 HIS 9 -5.787 2.956 -6.328
42 HE1 HIS 9 HE1 HIS 9 -6.763 4.147 -2.368
43 H GLU 10 H GLU 10 -2.632 -0.141 -6.502
44 HA GLU 10 HA GLU 10 -0.584 -1.910 -5.977
45 2HB GLU 10 HB2 GLU 10 -1.124 -0.360 -8.568
46 2HG GLU 10 HG2 GLU 10 0.081 -3.130 -8.181
47 H LEU 11 H LEU 11 -0.230 1.541 -6.507
48 HA LEU 11 HA LEU 11 2.498 1.617 -7.259
49 2HB LEU 11 HB2 LEU 11 2.209 3.987 -6.290
50 HG LEU 11 HG LEU 11 0.425 2.803 -8.427
51 1HD1 LEU 11 1HD1 LEU 11 -0.287 5.101 -9.032
52 2HD1 LEU 11 2HD1 LEU 11 -0.871 4.650 -7.421
53 3HD1 LEU 11 3HD1 LEU 11 0.527 5.736 -7.586
54 1HD2 LEU 11 1HD2 LEU 11 2.831 3.092 -8.955
55 2HD2 LEU 11 2HD2 LEU 11 1.824 4.178 -9.922
56 3HD2 LEU 11 3HD2 LEU 11 2.719 4.811 -8.526
57 H CYS 12 H CYS 12 0.881 1.180 -4.148
58 HA CYS 12 HA CYS 12 3.248 2.170 -2.648
59 2HB CYS 12 HB2 CYS 12 0.587 1.280 -1.518
60 H TYR 13 H TYR 13 4.327 0.372 -3.661
61 HA TYR 13 HA TYR 13 4.017 -2.142 -3.992
62 2HB TYR 13 HB2 TYR 13 6.581 -1.269 -2.600
63 HD1 TYR 13 HD1 TYR 13 7.145 -3.705 -2.302
64 HD2 TYR 13 HD2 TYR 13 6.267 -2.018 -6.174
65 HE1 TYR 13 HE1 TYR 13 8.251 -5.635 -3.400
66 HE2 TYR 13 HE2 TYR 13 7.380 -3.937 -7.263
67 HH TYR 13 HH TYR 13 8.513 -5.918 -6.952
68 H CYS 14 H CYS 14 4.958 -0.949 -0.868
69 HA CYS 14 HA CYS 14 5.418 -3.415 0.501
70 2HB CYS 14 HB2 CYS 14 4.540 -0.712 1.589
71 H CYS 15 H CYS 15 2.505 -1.426 0.400
72 HA CYS 15 HA CYS 15 0.328 -1.790 0.882
73 2HB CYS 15 HB2 CYS 15 0.965 -4.324 -0.672
74 H ASP 16 H ASP 16 0.018 -2.132 3.158
75 HA ASP 16 HA ASP 16 0.165 -4.661 4.488
76 2HB ASP 16 HB2 ASP 16 -1.510 -2.187 4.787
Start of MODEL 3
1 1H VAL 1 H VAL 1 6.466 3.493 5.177
2 HA VAL 1 HA VAL 1 5.963 1.802 7.352
3 HB VAL 1 HB VAL 1 3.691 2.623 7.951
4 1HG1 VAL 1 1HG1 VAL 1 5.634 3.138 9.392
5 2HG1 VAL 1 2HG1 VAL 1 5.883 4.664 8.515
6 3HG1 VAL 1 3HG1 VAL 1 4.401 4.410 9.457
7 1HG2 VAL 1 1HG2 VAL 1 3.209 4.011 5.948
8 2HG2 VAL 1 2HG2 VAL 1 3.010 4.925 7.450
9 3HG2 VAL 1 3HG2 VAL 1 4.455 5.172 6.453
10 H CYS 2 H CYS 2 3.812 0.565 6.835
11 HA CYS 2 HA CYS 2 3.870 -0.073 3.979
12 2HB CYS 2 HB2 CYS 2 1.841 -1.177 5.919
13 H CYS 3 H CYS 3 1.642 -0.270 2.829
14 HA CYS 3 HA CYS 3 0.194 2.291 3.213
15 2HB CYS 3 HB2 CYS 3 -0.939 1.677 1.156
16 HA PRO 4 HA PRO 4 -2.682 -0.360 5.551
17 2HB PRO 4 HB2 PRO 4 -3.187 1.473 6.872
18 2HG PRO 4 HG2 PRO 4 -3.215 3.693 5.959
19 2HD PRO 4 HD2 PRO 4 -1.087 2.781 5.380
20 H PHE 5 H PHE 5 -4.976 -1.150 5.228
21 HA PHE 5 HA PHE 5 -5.553 -1.943 2.666
22 2HB PHE 5 HB2 PHE 5 -7.660 -2.665 3.447
23 HD1 PHE 5 HD2 PHE 5 -5.508 -4.250 3.892
24 HD2 PHE 5 HD1 PHE 5 -7.347 -1.722 6.874
25 HE1 PHE 5 HE2 PHE 5 -4.286 -5.447 5.683
26 HE2 PHE 5 HE1 PHE 5 -6.062 -2.888 8.638
27 HZ PHE 5 HZ PHE 5 -4.477 -4.703 8.025
28 H GLY 6 H GLY 6 -6.981 0.892 4.323
29 1HA GLY 6 HA2 GLY 6 -8.177 1.980 1.859
30 2HA GLY 6 HA3 GLY 6 -8.143 2.716 3.467
31 H GLY 7 H GLY 7 -5.718 1.584 1.075
32 1HA GLY 7 HA2 GLY 7 -4.569 4.183 0.576
33 2HA GLY 7 HA3 GLY 7 -3.646 3.313 1.816
34 H CYS 8 H CYS 8 -3.912 0.654 0.858
35 HA CYS 8 HA CYS 8 -1.759 0.573 -0.953
36 2HB CYS 8 HB2 CYS 8 -3.757 -1.561 -0.139
37 H HIS 9 H HIS 9 -1.539 0.336 -3.098
38 HA HIS 9 HA HIS 9 -3.689 -0.418 -4.853
39 2HB HIS 9 HB2 HIS 9 -2.686 1.676 -6.340
40 HD1 HIS 9 HD1 HIS 9 -4.975 0.965 -7.355
41 HD2 HIS 9 HD2 HIS 9 -5.109 2.984 -3.662
42 HE1 HIS 9 HE1 HIS 9 -7.426 1.725 -7.004
43 H GLU 10 H GLU 10 -2.512 -0.326 -7.117
44 HA GLU 10 HA GLU 10 -0.374 -2.212 -7.029
45 2HB GLU 10 HB2 GLU 10 -1.680 -2.214 -9.005
46 2HG GLU 10 HG2 GLU 10 -1.545 -0.093 -10.554
47 H LEU 11 H LEU 11 -0.363 1.253 -6.942
48 HA LEU 11 HA LEU 11 2.324 1.729 -7.719
49 2HB LEU 11 HB2 LEU 11 1.139 3.503 -5.617
50 HG LEU 11 HG LEU 11 1.951 3.981 -8.523
51 1HD1 LEU 11 1HD1 LEU 11 1.266 5.947 -6.293
52 2HD1 LEU 11 2HD1 LEU 11 1.806 6.375 -7.930
53 3HD1 LEU 11 3HD1 LEU 11 0.246 5.569 -7.698
54 1HD2 LEU 11 1HD2 LEU 11 3.447 4.550 -5.921
55 2HD2 LEU 11 2HD2 LEU 11 3.965 3.481 -7.247
56 3HD2 LEU 11 3HD2 LEU 11 3.895 5.225 -7.502
57 H CYS 12 H CYS 12 0.930 0.533 -4.681
58 HA CYS 12 HA CYS 12 3.376 1.299 -3.176
59 2HB CYS 12 HB2 CYS 12 0.692 0.393 -2.107
60 H TYR 13 H TYR 13 4.943 -0.220 -3.148
61 HA TYR 13 HA TYR 13 4.728 -2.882 -3.810
62 2HB TYR 13 HB2 TYR 13 6.941 -2.753 -2.375
63 HD1 TYR 13 HD2 TYR 13 6.175 0.025 -4.826
64 HD2 TYR 13 HD1 TYR 13 8.231 -3.703 -4.091
65 HE1 TYR 13 HE2 TYR 13 7.294 0.201 -7.019
66 HE2 TYR 13 HE1 TYR 13 9.365 -3.503 -6.273
67 HH TYR 13 HH TYR 13 9.633 -2.239 -8.181
68 H CYS 14 H CYS 14 4.744 -1.374 -0.537
69 HA CYS 14 HA CYS 14 5.054 -3.870 0.791
70 2HB CYS 14 HB2 CYS 14 4.099 -1.208 1.905
71 H CYS 15 H CYS 15 2.156 -1.801 0.674
72 HA CYS 15 HA CYS 15 -0.045 -2.195 0.813
73 2HB CYS 15 HB2 CYS 15 0.709 -4.784 -0.551
74 H ASP 16 H ASP 16 -0.539 -2.369 3.023
75 HA ASP 16 HA ASP 16 -0.083 -4.657 4.635
76 2HB ASP 16 HB2 ASP 16 -2.249 -2.535 4.864
Start of MODEL 4
1 1H VAL 1 H VAL 1 6.892 4.343 4.391
2 HA VAL 1 HA VAL 1 6.805 2.554 6.541
3 HB VAL 1 HB VAL 1 4.590 3.219 7.488
4 1HG1 VAL 1 1HG1 VAL 1 5.428 4.962 8.980
5 2HG1 VAL 1 2HG1 VAL 1 6.682 3.745 8.686
6 3HG1 VAL 1 3HG1 VAL 1 6.763 5.320 7.867
7 1HG2 VAL 1 1HG2 VAL 1 5.038 5.883 6.065
8 2HG2 VAL 1 2HG2 VAL 1 3.795 4.688 5.641
9 3HG2 VAL 1 3HG2 VAL 1 3.745 5.497 7.214
10 H CYS 2 H CYS 2 4.660 1.241 6.316
11 HA CYS 2 HA CYS 2 4.294 0.600 3.492
12 2HB CYS 2 HB2 CYS 2 2.491 -0.444 5.674
13 H CYS 3 H CYS 3 1.925 0.441 2.642
14 HA CYS 3 HA CYS 3 0.304 2.757 3.607
15 2HB CYS 3 HB2 CYS 3 -1.269 2.057 1.881
16 HA PRO 4 HA PRO 4 -1.975 -0.400 5.995
17 2HB PRO 4 HB2 PRO 4 -2.811 1.332 7.300
18 2HG PRO 4 HG2 PRO 4 -3.317 3.477 6.347
19 2HD PRO 4 HD2 PRO 4 -1.057 3.058 5.733
20 H PHE 5 H PHE 5 -3.735 -1.883 5.434
21 HA PHE 5 HA PHE 5 -4.317 -2.388 2.813
22 2HB PHE 5 HB2 PHE 5 -5.954 -2.858 5.344
23 HD1 PHE 5 HD1 PHE 5 -5.107 -4.786 2.271
24 HD2 PHE 5 HD2 PHE 5 -8.227 -3.108 4.693
25 HE1 PHE 5 HE1 PHE 5 -6.821 -5.893 0.821
26 HE2 PHE 5 HE2 PHE 5 -9.947 -4.205 3.261
27 HZ PHE 5 HZ PHE 5 -9.241 -5.600 1.326
28 H GLY 6 H GLY 6 -6.264 -0.374 5.024
29 1HA GLY 6 HA2 GLY 6 -8.080 0.577 2.916
30 2HA GLY 6 HA3 GLY 6 -7.955 1.157 4.584
31 H GLY 7 H GLY 7 -5.845 0.988 1.678
32 1HA GLY 7 HA2 GLY 7 -5.579 3.770 1.216
33 2HA GLY 7 HA3 GLY 7 -4.282 3.287 2.328
34 H CYS 8 H CYS 8 -3.799 0.676 1.387
35 HA CYS 8 HA CYS 8 -1.832 1.056 -0.505
36 2HB CYS 8 HB2 CYS 8 -3.432 -1.418 0.219
37 H HIS 9 H HIS 9 -1.612 1.076 -2.700
38 HA HIS 9 HA HIS 9 -3.717 0.043 -4.408
39 2HB HIS 9 HB2 HIS 9 -3.097 1.817 -6.060
40 HD1 HIS 9 HD1 HIS 9 -4.153 3.041 -2.479
41 HD2 HIS 9 HD2 HIS 9 -5.380 2.880 -6.513
42 HE1 HIS 9 HE1 HIS 9 -6.431 4.150 -2.597
43 H GLU 10 H GLU 10 -2.218 -0.227 -6.613
44 HA GLU 10 HA GLU 10 -0.231 -2.167 -5.789
45 2HB GLU 10 HB2 GLU 10 -1.153 -2.860 -7.763
46 2HG GLU 10 HG2 GLU 10 -2.706 -1.081 -8.313
47 H LEU 11 H LEU 11 -0.211 1.220 -6.677
48 HA LEU 11 HA LEU 11 2.517 1.604 -7.222
49 2HB LEU 11 HB2 LEU 11 1.911 3.905 -6.118
50 HG LEU 11 HG LEU 11 0.498 2.704 -8.509
51 1HD1 LEU 11 1HD1 LEU 11 -0.369 4.959 -9.047
52 2HD1 LEU 11 2HD1 LEU 11 -1.071 4.330 -7.547
53 3HD1 LEU 11 3HD1 LEU 11 0.213 5.559 -7.477
54 1HD2 LEU 11 1HD2 LEU 11 2.580 4.919 -8.232
55 2HD2 LEU 11 2HD2 LEU 11 2.911 3.250 -8.743
56 3HD2 LEU 11 3HD2 LEU 11 1.905 4.298 -9.752
57 H CYS 12 H CYS 12 0.838 1.128 -4.117
58 HA CYS 12 HA CYS 12 3.193 2.145 -2.622
59 2HB CYS 12 HB2 CYS 12 0.555 1.223 -1.473
60 H TYR 13 H TYR 13 4.283 0.359 -3.644
61 HA TYR 13 HA TYR 13 4.024 -2.157 -3.968
62 2HB TYR 13 HB2 TYR 13 6.564 -1.195 -2.582
63 HD1 TYR 13 HD1 TYR 13 6.167 -2.126 -6.126
64 HD2 TYR 13 HD2 TYR 13 7.319 -3.537 -2.217
65 HE1 TYR 13 HE1 TYR 13 7.353 -4.029 -7.164
66 HE2 TYR 13 HE2 TYR 13 8.503 -5.450 -3.263
67 HH TYR 13 HH TYR 13 8.639 -5.906 -6.804
68 H CYS 14 H CYS 14 4.964 -0.946 -0.854
69 HA CYS 14 HA CYS 14 5.478 -3.401 0.517
70 2HB CYS 14 HB2 CYS 14 4.560 -0.711 1.602
71 H CYS 15 H CYS 15 2.531 -1.466 0.429
72 HA CYS 15 HA CYS 15 0.364 -1.865 0.912
73 2HB CYS 15 HB2 CYS 15 1.053 -4.413 -0.599
74 H ASP 16 H ASP 16 0.032 -2.176 3.189
75 HA ASP 16 HA ASP 16 0.182 -4.687 4.554
76 2HB ASP 16 HB2 ASP 16 -1.530 -2.232 4.781
Start of MODEL 5
1 1H VAL 1 H VAL 1 6.563 4.128 4.473
2 HA VAL 1 HA VAL 1 6.363 2.248 6.533
3 HB VAL 1 HB VAL 1 4.137 2.927 7.445
4 1HG1 VAL 1 1HG1 VAL 1 6.353 4.941 7.993
5 2HG1 VAL 1 2HG1 VAL 1 4.975 4.570 9.047
6 3HG1 VAL 1 3HG1 VAL 1 6.202 3.332 8.730
7 1HG2 VAL 1 1HG2 VAL 1 3.360 5.237 7.259
8 2HG2 VAL 1 2HG2 VAL 1 4.700 5.645 6.175
9 3HG2 VAL 1 3HG2 VAL 1 3.442 4.509 5.650
10 H CYS 2 H CYS 2 4.174 1.023 6.190
11 HA CYS 2 HA CYS 2 3.886 0.489 3.338
12 2HB CYS 2 HB2 CYS 2 1.941 -0.540 5.399
13 H CYS 3 H CYS 3 1.555 0.470 2.384
14 HA CYS 3 HA CYS 3 0.025 2.861 3.331
15 2HB CYS 3 HB2 CYS 3 -1.479 2.329 1.504
16 HA PRO 4 HA PRO 4 -2.292 -0.222 5.712
17 2HB PRO 4 HB2 PRO 4 -2.987 1.488 7.075
18 2HG PRO 4 HG2 PRO 4 -3.465 3.673 6.196
19 2HD PRO 4 HD2 PRO 4 -1.255 3.136 5.477
20 H PHE 5 H PHE 5 -4.226 -1.606 5.320
21 HA PHE 5 HA PHE 5 -5.088 -2.160 2.777
22 2HB PHE 5 HB2 PHE 5 -7.350 -2.804 3.810
23 HD1 PHE 5 HD1 PHE 5 -5.987 -4.637 2.579
24 HD2 PHE 5 HD2 PHE 5 -5.455 -3.664 6.747
25 HE1 PHE 5 HE1 PHE 5 -5.048 -6.891 2.993
26 HE2 PHE 5 HE2 PHE 5 -4.448 -5.872 7.131
27 HZ PHE 5 HZ PHE 5 -4.273 -7.516 5.276
28 H GLY 6 H GLY 6 -6.672 0.257 4.888
29 1HA GLY 6 HA2 GLY 6 -8.387 1.289 2.733
30 2HA GLY 6 HA3 GLY 6 -8.207 1.925 4.375
31 H GLY 7 H GLY 7 -6.047 1.391 1.540
32 1HA GLY 7 HA2 GLY 7 -5.507 4.158 1.030
33 2HA GLY 7 HA3 GLY 7 -4.269 3.507 2.121
34 H CYS 8 H CYS 8 -4.036 0.884 1.165
35 HA CYS 8 HA CYS 8 -2.079 1.160 -0.761
36 2HB CYS 8 HB2 CYS 8 -3.777 -1.249 -0.044
37 H HIS 9 H HIS 9 -1.910 1.280 -2.916
38 HA HIS 9 HA HIS 9 -3.999 0.243 -4.645
39 2HB HIS 9 HB2 HIS 9 -3.438 2.067 -6.267
40 HD1 HIS 9 HD1 HIS 9 -4.397 3.305 -2.665
41 HD2 HIS 9 HD2 HIS 9 -5.816 3.013 -6.627
42 HE1 HIS 9 HE1 HIS 9 -6.706 4.360 -2.698
43 H GLU 10 H GLU 10 -2.703 -0.141 -6.793
44 HA GLU 10 HA GLU 10 -0.660 -1.918 -6.210
45 2HB GLU 10 HB2 GLU 10 -1.188 -0.423 -8.836
46 2HG GLU 10 HG2 GLU 10 0.015 -3.183 -8.380
47 H LEU 11 H LEU 11 -0.350 1.490 -6.781
48 HA LEU 11 HA LEU 11 2.414 1.605 -7.484
49 2HB LEU 11 HB2 LEU 11 1.060 3.761 -5.839
50 HG LEU 11 HG LEU 11 2.581 3.882 -8.491
51 1HD1 LEU 11 1HD1 LEU 11 1.587 6.089 -6.638
52 2HD1 LEU 11 2HD1 LEU 11 2.492 6.317 -8.150
53 3HD1 LEU 11 3HD1 LEU 11 0.859 5.634 -8.194
54 1HD2 LEU 11 1HD2 LEU 11 4.316 5.142 -7.131
55 2HD2 LEU 11 2HD2 LEU 11 3.513 4.544 -5.665
56 3HD2 LEU 11 3HD2 LEU 11 4.250 3.410 -6.828
57 H CYS 12 H CYS 12 0.718 1.227 -4.397
58 HA CYS 12 HA CYS 12 3.107 2.075 -2.851
59 2HB CYS 12 HB2 CYS 12 0.390 1.321 -1.762
60 H TYR 13 H TYR 13 4.110 0.254 -3.859
61 HA TYR 13 HA TYR 13 3.767 -2.257 -4.186
62 2HB TYR 13 HB2 TYR 13 6.305 -1.407 -2.728
63 HD1 TYR 13 HD1 TYR 13 6.870 -3.826 -2.405
64 HD2 TYR 13 HD2 TYR 13 6.044 -2.187 -6.309
65 HE1 TYR 13 HE1 TYR 13 7.991 -5.763 -3.455
66 HE2 TYR 13 HE2 TYR 13 7.180 -4.127 -7.357
67 HH TYR 13 HH TYR 13 8.638 -6.759 -5.431
68 H CYS 14 H CYS 14 4.628 -1.051 -1.040
69 HA CYS 14 HA CYS 14 5.048 -3.521 0.340
70 2HB CYS 14 HB2 CYS 14 4.179 -0.805 1.402
71 H CYS 15 H CYS 15 2.161 -1.501 0.176
72 HA CYS 15 HA CYS 15 -0.011 -1.817 0.610
73 2HB CYS 15 HB2 CYS 15 0.566 -4.442 -0.814
74 H ASP 16 H ASP 16 -0.409 -2.022 2.838
75 HA ASP 16 HA ASP 16 -0.315 -4.453 4.363
76 2HB ASP 16 HB2 ASP 16 -1.995 -1.971 4.444
Start of MODEL 6
1 1H VAL 1 H VAL 1 6.283 3.861 5.039
2 HA VAL 1 HA VAL 1 6.026 2.084 7.190
3 HB VAL 1 HB VAL 1 3.698 2.670 7.875
4 1HG1 VAL 1 1HG1 VAL 1 5.624 3.307 9.284
5 2HG1 VAL 1 2HG1 VAL 1 5.723 4.873 8.450
6 3HG1 VAL 1 3HG1 VAL 1 4.292 4.470 9.419
7 1HG2 VAL 1 1HG2 VAL 1 4.190 5.329 6.456
8 2HG2 VAL 1 2HG2 VAL 1 3.047 4.076 5.928
9 3HG2 VAL 1 3HG2 VAL 1 2.797 4.909 7.468
10 H CYS 2 H CYS 2 3.999 0.659 6.730
11 HA CYS 2 HA CYS 2 3.965 0.032 3.872
12 2HB CYS 2 HB2 CYS 2 2.068 -1.141 5.906
13 H CYS 3 H CYS 3 1.720 -0.267 2.809
14 HA CYS 3 HA CYS 3 0.172 2.223 3.256
15 2HB CYS 3 HB2 CYS 3 -1.012 1.562 1.236
16 HA PRO 4 HA PRO 4 -2.750 -0.495 5.461
17 2HB PRO 4 HB2 PRO 4 -3.180 1.345 6.831
18 2HG PRO 4 HG2 PRO 4 -3.259 3.576 5.939
19 2HD PRO 4 HD2 PRO 4 -1.130 2.715 5.325
20 H PHE 5 H PHE 5 -5.136 -1.088 5.126
21 HA PHE 5 HA PHE 5 -5.795 -1.777 2.539
22 2HB PHE 5 HB2 PHE 5 -7.985 -2.263 3.332
23 HD1 PHE 5 HD1 PHE 5 -6.163 -4.188 3.576
24 HD2 PHE 5 HD2 PHE 5 -7.318 -1.544 6.792
25 HE1 PHE 5 HE1 PHE 5 -4.994 -5.639 5.210
26 HE2 PHE 5 HE2 PHE 5 -6.118 -2.995 8.399
27 HZ PHE 5 HZ PHE 5 -4.910 -5.010 7.591
28 H GLY 6 H GLY 6 -6.915 1.134 4.302
29 1HA GLY 6 HA2 GLY 6 -8.109 2.361 1.910
30 2HA GLY 6 HA3 GLY 6 -7.965 3.055 3.532
31 H GLY 7 H GLY 7 -5.657 1.801 1.073
32 1HA GLY 7 HA2 GLY 7 -4.467 4.374 0.517
33 2HA GLY 7 HA3 GLY 7 -3.498 3.467 1.697
34 H CYS 8 H CYS 8 -3.751 0.860 0.835
35 HA CYS 8 HA CYS 8 -1.709 0.738 -1.059
36 2HB CYS 8 HB2 CYS 8 -3.669 -1.392 -0.150
37 H HIS 9 H HIS 9 -1.567 0.725 -3.201
38 HA HIS 9 HA HIS 9 -3.720 -0.213 -4.904
39 2HB HIS 9 HB2 HIS 9 -3.104 1.603 -6.537
40 HD1 HIS 9 HD1 HIS 9 -3.843 3.121 -3.018
41 HD2 HIS 9 HD2 HIS 9 -5.615 2.302 -6.753
42 HE1 HIS 9 HE1 HIS 9 -6.182 4.126 -2.956
43 H GLU 10 H GLU 10 -2.430 -0.574 -7.124
44 HA GLU 10 HA GLU 10 -0.380 -2.381 -6.638
45 2HB GLU 10 HB2 GLU 10 -0.034 -2.371 -9.053
46 2HG GLU 10 HG2 GLU 10 -2.966 -1.622 -8.620
47 H LEU 11 H LEU 11 -0.164 1.034 -7.083
48 HA LEU 11 HA LEU 11 2.555 1.407 -7.720
49 2HB LEU 11 HB2 LEU 11 1.109 3.245 -5.793
50 HG LEU 11 HG LEU 11 2.525 3.802 -8.447
51 1HD1 LEU 11 1HD1 LEU 11 2.260 6.164 -7.808
52 2HD1 LEU 11 2HD1 LEU 11 0.685 5.361 -7.899
53 3HD1 LEU 11 3HD1 LEU 11 1.426 5.684 -6.316
54 1HD2 LEU 11 1HD2 LEU 11 4.203 5.024 -6.985
55 2HD2 LEU 11 2HD2 LEU 11 3.495 4.196 -5.583
56 3HD2 LEU 11 3HD2 LEU 11 4.278 3.269 -6.889
57 H CYS 12 H CYS 12 0.986 0.620 -4.624
58 HA CYS 12 HA CYS 12 3.453 1.300 -3.107
59 2HB CYS 12 HB2 CYS 12 0.689 0.653 -2.053
60 H TYR 13 H TYR 13 4.807 -0.454 -3.560
61 HA TYR 13 HA TYR 13 4.375 -3.047 -3.871
62 2HB TYR 13 HB2 TYR 13 6.693 -3.146 -2.917
63 HD1 TYR 13 HD2 TYR 13 6.793 -3.857 -5.284
64 HD2 TYR 13 HD1 TYR 13 6.743 0.309 -4.157
65 HE1 TYR 13 HE2 TYR 13 7.586 -3.225 -7.549
66 HE2 TYR 13 HE1 TYR 13 7.479 0.933 -6.426
67 HH TYR 13 HH TYR 13 8.085 0.175 -8.518
68 H CYS 14 H CYS 14 4.702 -1.439 -0.662
69 HA CYS 14 HA CYS 14 5.040 -3.881 0.740
70 2HB CYS 14 HB2 CYS 14 4.170 -1.172 1.810
71 H CYS 15 H CYS 15 2.139 -1.801 0.668
72 HA CYS 15 HA CYS 15 -0.074 -2.219 0.943
73 2HB CYS 15 HB2 CYS 15 0.638 -4.773 -0.502
74 H ASP 16 H ASP 16 -0.277 -2.453 3.208
75 HA ASP 16 HA ASP 16 0.258 -3.665 5.228
76 2HB ASP 16 HB2 ASP 16 -2.527 -3.886 4.119
Start of MODEL 7
1 1H VAL 1 H VAL 1 6.862 3.647 4.597
2 HA VAL 1 HA VAL 1 6.389 2.142 6.916
3 HB VAL 1 HB VAL 1 4.174 3.125 7.528
4 1HG1 VAL 1 1HG1 VAL 1 5.041 4.956 8.896
5 2HG1 VAL 1 2HG1 VAL 1 6.180 3.598 8.885
6 3HG1 VAL 1 3HG1 VAL 1 6.511 5.043 7.905
7 1HG2 VAL 1 1HG2 VAL 1 3.728 4.424 5.449
8 2HG2 VAL 1 2HG2 VAL 1 3.608 5.421 6.905
9 3HG2 VAL 1 3HG2 VAL 1 5.044 5.538 5.873
10 H CYS 2 H CYS 2 4.191 0.977 6.606
11 HA CYS 2 HA CYS 2 3.953 0.118 3.819
12 2HB CYS 2 HB2 CYS 2 1.942 -0.568 5.961
13 H CYS 3 H CYS 3 1.627 0.112 2.834
14 HA CYS 3 HA CYS 3 0.218 2.660 3.507
15 2HB CYS 3 HB2 CYS 3 -1.191 2.119 1.609
16 HA PRO 4 HA PRO 4 -2.594 -0.117 5.761
17 2HB PRO 4 HB2 PRO 4 -3.298 1.720 6.969
18 2HG PRO 4 HG2 PRO 4 -3.458 3.890 5.954
19 2HD PRO 4 HD2 PRO 4 -1.236 3.161 5.510
20 H PHE 5 H PHE 5 -4.568 -1.344 5.146
21 HA PHE 5 HA PHE 5 -5.082 -1.821 2.456
22 2HB PHE 5 HB2 PHE 5 -7.472 -2.437 3.232
23 HD1 PHE 5 HD2 PHE 5 -6.042 -4.164 1.912
24 HD2 PHE 5 HD1 PHE 5 -5.862 -3.661 6.196
25 HE1 PHE 5 HE2 PHE 5 -5.146 -6.465 2.156
26 HE2 PHE 5 HE1 PHE 5 -4.897 -5.913 6.417
27 HZ PHE 5 HZ PHE 5 -4.582 -7.348 4.410
28 H GLY 6 H GLY 6 -6.711 0.629 4.478
29 1HA GLY 6 HA2 GLY 6 -8.203 1.797 2.232
30 2HA GLY 6 HA3 GLY 6 -8.061 2.421 3.881
31 H GLY 7 H GLY 7 -5.844 1.731 1.130
32 1HA GLY 7 HA2 GLY 7 -5.055 4.393 0.581
33 2HA GLY 7 HA3 GLY 7 -3.949 3.761 1.817
34 H CYS 8 H CYS 8 -3.851 1.056 1.024
35 HA CYS 8 HA CYS 8 -1.707 1.045 -0.737
36 2HB CYS 8 HB2 CYS 8 -3.668 -1.134 0.037
37 H HIS 9 H HIS 9 -1.378 0.906 -2.912
38 HA HIS 9 HA HIS 9 -3.492 -0.001 -4.678
39 2HB HIS 9 HB2 HIS 9 -2.671 1.643 -6.369
40 HD1 HIS 9 HD1 HIS 9 -3.622 3.257 -2.926
41 HD2 HIS 9 HD2 HIS 9 -4.952 2.694 -6.887
42 HE1 HIS 9 HE1 HIS 9 -5.837 4.478 -3.134
43 H GLU 10 H GLU 10 -1.887 -0.364 -6.844
44 HA GLU 10 HA GLU 10 -0.183 -2.527 -5.961
45 2HB GLU 10 HB2 GLU 10 -1.035 -3.059 -8.011
46 2HG GLU 10 HG2 GLU 10 -2.346 -1.101 -8.600
47 H LEU 11 H LEU 11 0.279 0.856 -6.769
48 HA LEU 11 HA LEU 11 3.047 0.987 -7.101
49 2HB LEU 11 HB2 LEU 11 2.608 3.281 -5.920
50 HG LEU 11 HG LEU 11 1.214 2.334 -8.429
51 1HD1 LEU 11 1HD1 LEU 11 0.549 4.675 -8.879
52 2HD1 LEU 11 2HD1 LEU 11 -0.276 4.026 -7.453
53 3HD1 LEU 11 3HD1 LEU 11 1.094 5.145 -7.251
54 1HD2 LEU 11 1HD2 LEU 11 2.799 3.865 -9.516
55 2HD2 LEU 11 2HD2 LEU 11 3.439 4.361 -7.936
56 3HD2 LEU 11 3HD2 LEU 11 3.668 2.696 -8.511
57 H CYS 12 H CYS 12 1.154 0.558 -4.105
58 HA CYS 12 HA CYS 12 3.554 1.258 -2.474
59 2HB CYS 12 HB2 CYS 12 0.712 0.915 -1.514
60 H TYR 13 H TYR 13 4.448 -0.813 -3.287
61 HA TYR 13 HA TYR 13 3.668 -3.233 -3.434
62 2HB TYR 13 HB2 TYR 13 5.983 -3.780 -2.958
63 HD1 TYR 13 HD2 TYR 13 5.245 -3.740 -5.458
64 HD2 TYR 13 HD1 TYR 13 7.063 -0.402 -3.415
65 HE1 TYR 13 HE2 TYR 13 5.908 -2.770 -7.632
66 HE2 TYR 13 HE1 TYR 13 7.725 0.565 -5.599
67 HH TYR 13 HH TYR 13 6.945 -1.015 -8.704
68 H CYS 14 H CYS 14 4.680 -1.856 -0.355
69 HA CYS 14 HA CYS 14 4.791 -4.223 1.202
70 2HB CYS 14 HB2 CYS 14 4.154 -1.366 2.035
71 H CYS 15 H CYS 15 2.110 -1.959 0.803
72 HA CYS 15 HA CYS 15 -0.119 -2.094 1.152
73 2HB CYS 15 HB2 CYS 15 0.344 -4.791 -0.174
74 H ASP 16 H ASP 16 -0.417 -2.231 3.417
75 HA ASP 16 HA ASP 16 -0.410 -4.205 5.275
76 2HB ASP 16 HB2 ASP 16 -2.398 -2.080 4.554
Start of MODEL 8
1 1H VAL 1 H VAL 1 6.472 3.529 5.186
2 HA VAL 1 HA VAL 1 5.866 1.993 7.456
3 HB VAL 1 HB VAL 1 3.579 2.874 7.890
4 1HG1 VAL 1 1HG1 VAL 1 5.461 3.489 9.373
5 2HG1 VAL 1 2HG1 VAL 1 5.762 4.941 8.393
6 3HG1 VAL 1 3HG1 VAL 1 4.238 4.770 9.284
7 1HG2 VAL 1 1HG2 VAL 1 3.195 4.107 5.770
8 2HG2 VAL 1 2HG2 VAL 1 2.945 5.139 7.184
9 3HG2 VAL 1 3HG2 VAL 1 4.433 5.294 6.232
10 H CYS 2 H CYS 2 3.788 0.689 6.936
11 HA CYS 2 HA CYS 2 3.868 -0.051 4.093
12 2HB CYS 2 HB2 CYS 2 1.909 -1.175 6.093
13 H CYS 3 H CYS 3 1.636 -0.346 2.985
14 HA CYS 3 HA CYS 3 0.093 2.164 3.373
15 2HB CYS 3 HB2 CYS 3 -0.982 1.540 1.287
16 HA PRO 4 HA PRO 4 -2.835 -0.623 5.477
17 2HB PRO 4 HB2 PRO 4 -3.359 1.173 6.862
18 2HG PRO 4 HG2 PRO 4 -3.414 3.422 6.021
19 2HD PRO 4 HD2 PRO 4 -1.258 2.580 5.461
20 H PHE 5 H PHE 5 -5.203 -1.261 5.073
21 HA PHE 5 HA PHE 5 -5.697 -1.971 2.447
22 2HB PHE 5 HB2 PHE 5 -7.830 -2.672 3.146
23 HD1 PHE 5 HD2 PHE 5 -5.659 -4.256 3.659
24 HD2 PHE 5 HD1 PHE 5 -7.734 -1.859 6.593
25 HE1 PHE 5 HE2 PHE 5 -4.437 -5.408 5.491
26 HE2 PHE 5 HE1 PHE 5 -6.518 -3.033 8.400
27 HZ PHE 5 HZ PHE 5 -4.816 -4.763 7.833
28 H GLY 6 H GLY 6 -7.043 0.851 4.192
29 1HA GLY 6 HA2 GLY 6 -8.164 2.079 1.762
30 2HA GLY 6 HA3 GLY 6 -8.123 2.748 3.400
31 H GLY 7 H GLY 7 -5.679 1.622 1.018
32 1HA GLY 7 HA2 GLY 7 -4.519 4.229 0.581
33 2HA GLY 7 HA3 GLY 7 -3.590 3.319 1.789
34 H CYS 8 H CYS 8 -3.785 0.713 0.830
35 HA CYS 8 HA CYS 8 -1.648 0.681 -0.986
36 2HB CYS 8 HB2 CYS 8 -3.600 -1.505 -0.199
37 H HIS 9 H HIS 9 -1.500 0.910 -3.111
38 HA HIS 9 HA HIS 9 -3.589 -0.072 -4.915
39 2HB HIS 9 HB2 HIS 9 -2.973 1.793 -6.466
40 HD1 HIS 9 HD1 HIS 9 -5.153 1.358 -3.631
41 HD2 HIS 9 HD2 HIS 9 -3.873 4.619 -5.964
42 HE1 HIS 9 HE1 HIS 9 -6.892 3.200 -3.332
43 H GLU 10 H GLU 10 -2.276 -0.354 -7.111
44 HA GLU 10 HA GLU 10 -0.230 -2.172 -6.707
45 2HB GLU 10 HB2 GLU 10 -1.523 -2.046 -8.763
46 2HG GLU 10 HG2 GLU 10 -0.069 0.554 -9.423
47 H LEU 11 H LEU 11 0.078 1.322 -6.902
48 HA LEU 11 HA LEU 11 2.791 1.601 -7.496
49 2HB LEU 11 HB2 LEU 11 2.407 3.764 -6.153
50 HG LEU 11 HG LEU 11 0.674 2.885 -8.469
51 1HD1 LEU 11 1HD1 LEU 11 0.631 5.629 -7.134
52 2HD1 LEU 11 2HD1 LEU 11 -0.148 5.215 -8.677
53 3HD1 LEU 11 3HD1 LEU 11 -0.711 4.465 -7.173
54 1HD2 LEU 11 1HD2 LEU 11 3.066 3.374 -8.913
55 2HD2 LEU 11 2HD2 LEU 11 2.005 4.555 -9.694
56 3HD2 LEU 11 3HD2 LEU 11 2.865 4.990 -8.204
57 H CYS 12 H CYS 12 1.186 0.626 -4.483
58 HA CYS 12 HA CYS 12 3.612 1.272 -2.883
59 2HB CYS 12 HB2 CYS 12 0.816 0.607 -1.927
60 H TYR 13 H TYR 13 5.015 -0.444 -3.152
61 HA TYR 13 HA TYR 13 4.491 -3.056 -3.629
62 2HB TYR 13 HB2 TYR 13 6.824 -3.178 -2.533
63 HD1 TYR 13 HD1 TYR 13 6.541 0.051 -4.395
64 HD2 TYR 13 HD2 TYR 13 7.328 -4.188 -4.650
65 HE1 TYR 13 HE1 TYR 13 7.270 0.328 -6.727
66 HE2 TYR 13 HE2 TYR 13 8.130 -3.886 -6.977
67 HH TYR 13 HH TYR 13 8.090 -0.714 -8.616
68 H CYS 14 H CYS 14 4.770 -1.480 -0.404
69 HA CYS 14 HA CYS 14 5.069 -3.928 1.003
70 2HB CYS 14 HB2 CYS 14 4.133 -1.232 2.050
71 H CYS 15 H CYS 15 2.172 -1.856 0.838
72 HA CYS 15 HA CYS 15 -0.045 -2.273 0.985
73 2HB CYS 15 HB2 CYS 15 0.741 -4.828 -0.424
74 H ASP 16 H ASP 16 -0.327 -2.508 3.252
75 HA ASP 16 HA ASP 16 0.361 -4.587 4.894
76 2HB ASP 16 HB2 ASP 16 -2.129 -2.847 5.086
Start of MODEL 9
1 1H VAL 1 H VAL 1 6.946 4.184 4.469
2 HA VAL 1 HA VAL 1 6.693 2.456 6.661
3 HB VAL 1 HB VAL 1 4.451 3.211 7.461
4 1HG1 VAL 1 1HG1 VAL 1 6.488 3.724 8.757
5 2HG1 VAL 1 2HG1 VAL 1 6.654 5.268 7.896
6 3HG1 VAL 1 3HG1 VAL 1 5.251 4.981 8.944
7 1HG2 VAL 1 1HG2 VAL 1 3.685 5.501 7.070
8 2HG2 VAL 1 2HG2 VAL 1 5.050 5.813 5.982
9 3HG2 VAL 1 3HG2 VAL 1 3.797 4.639 5.530
10 H CYS 2 H CYS 2 4.555 1.171 6.345
11 HA CYS 2 HA CYS 2 4.281 0.516 3.508
12 2HB CYS 2 HB2 CYS 2 2.406 -0.491 5.648
13 H CYS 3 H CYS 3 1.930 0.392 2.596
14 HA CYS 3 HA CYS 3 0.335 2.754 3.478
15 2HB CYS 3 HB2 CYS 3 -1.196 2.078 1.719
16 HA PRO 4 HA PRO 4 -1.900 -0.361 5.944
17 2HB PRO 4 HB2 PRO 4 -2.616 1.381 7.304
18 2HG PRO 4 HG2 PRO 4 -3.122 3.544 6.393
19 2HD PRO 4 HD2 PRO 4 -0.912 3.064 5.649
20 H PHE 5 H PHE 5 -3.749 -1.777 5.528
21 HA PHE 5 HA PHE 5 -4.496 -2.352 2.988
22 2HB PHE 5 HB2 PHE 5 -6.142 -2.585 5.549
23 HD1 PHE 5 HD1 PHE 5 -5.253 -4.852 2.741
24 HD2 PHE 5 HD2 PHE 5 -8.415 -2.779 4.780
25 HE1 PHE 5 HE1 PHE 5 -6.943 -6.088 1.372
26 HE2 PHE 5 HE2 PHE 5 -10.105 -3.995 3.419
27 HZ PHE 5 HZ PHE 5 -9.370 -5.656 1.718
28 H GLY 6 H GLY 6 -6.301 -0.164 5.163
29 1HA GLY 6 HA2 GLY 6 -8.102 0.799 3.044
30 2HA GLY 6 HA3 GLY 6 -7.948 1.410 4.698
31 H GLY 7 H GLY 7 -5.831 1.089 1.808
32 1HA GLY 7 HA2 GLY 7 -5.448 3.877 1.339
33 2HA GLY 7 HA3 GLY 7 -4.160 3.296 2.412
34 H CYS 8 H CYS 8 -3.816 0.682 1.413
35 HA CYS 8 HA CYS 8 -1.882 1.088 -0.520
36 2HB CYS 8 HB2 CYS 8 -3.448 -1.418 0.168
37 H HIS 9 H HIS 9 -1.737 1.208 -2.674
38 HA HIS 9 HA HIS 9 -3.837 0.148 -4.397
39 2HB HIS 9 HB2 HIS 9 -3.308 1.977 -6.013
40 HD1 HIS 9 HD1 HIS 9 -4.253 3.143 -2.380
41 HD2 HIS 9 HD2 HIS 9 -5.668 2.966 -6.351
42 HE1 HIS 9 HE1 HIS 9 -6.561 4.199 -2.384
43 H GLU 10 H GLU 10 -2.588 -0.233 -6.567
44 HA GLU 10 HA GLU 10 -0.567 -2.031 -5.949
45 2HB GLU 10 HB2 GLU 10 -1.969 -2.239 -7.923
46 2HG GLU 10 HG2 GLU 10 -0.480 0.142 -9.111
47 H LEU 11 H LEU 11 -0.142 1.386 -6.496
48 HA LEU 11 HA LEU 11 2.581 1.353 -7.359
49 2HB LEU 11 HB2 LEU 11 2.473 3.673 -6.519
50 HG LEU 11 HG LEU 11 1.470 2.907 -8.835
51 1HD1 LEU 11 1HD1 LEU 11 -0.878 3.742 -9.114
52 2HD1 LEU 11 2HD1 LEU 11 -0.817 2.309 -8.101
53 3HD1 LEU 11 3HD1 LEU 11 -1.017 3.906 -7.354
54 1HD2 LEU 11 1HD2 LEU 11 2.418 5.123 -8.354
55 2HD2 LEU 11 2HD2 LEU 11 0.947 5.273 -9.325
56 3HD2 LEU 11 3HD2 LEU 11 0.896 5.625 -7.584
57 H CYS 12 H CYS 12 0.960 1.051 -4.224
58 HA CYS 12 HA CYS 12 3.336 2.007 -2.761
59 2HB CYS 12 HB2 CYS 12 0.689 1.085 -1.619
60 H TYR 13 H TYR 13 4.512 0.268 -3.672
61 HA TYR 13 HA TYR 13 4.420 -2.249 -4.008
62 2HB TYR 13 HB2 TYR 13 6.780 -1.193 -2.395
63 HD1 TYR 13 HD1 TYR 13 7.373 -3.658 -2.055
64 HD2 TYR 13 HD2 TYR 13 7.024 -1.851 -5.958
65 HE1 TYR 13 HE1 TYR 13 8.767 -5.458 -3.014
66 HE2 TYR 13 HE2 TYR 13 8.442 -3.648 -6.909
67 HH TYR 13 HH TYR 13 9.780 -6.289 -4.912
68 H CYS 14 H CYS 14 5.026 -1.015 -0.819
69 HA CYS 14 HA CYS 14 5.472 -3.502 0.554
70 2HB CYS 14 HB2 CYS 14 4.551 -0.809 1.623
71 H CYS 15 H CYS 15 2.558 -1.509 0.382
72 HA CYS 15 HA CYS 15 0.374 -1.865 0.806
73 2HB CYS 15 HB2 CYS 15 1.013 -4.428 -0.697
74 H ASP 16 H ASP 16 -0.016 -2.162 3.066
75 HA ASP 16 HA ASP 16 0.105 -4.666 4.451
76 2HB ASP 16 HB2 ASP 16 -1.607 -2.204 4.659
Start of MODEL 10
1 1H VAL 1 H VAL 1 6.864 4.263 4.426
2 HA VAL 1 HA VAL 1 6.607 2.555 6.629
3 HB VAL 1 HB VAL 1 4.382 3.340 7.447
4 1HG1 VAL 1 1HG1 VAL 1 6.615 5.373 7.850
5 2HG1 VAL 1 2HG1 VAL 1 5.219 5.107 8.914
6 3HG1 VAL 1 3HG1 VAL 1 6.437 3.834 8.721
7 1HG2 VAL 1 1HG2 VAL 1 3.725 4.764 5.516
8 2HG2 VAL 1 2HG2 VAL 1 3.641 5.637 7.052
9 3HG2 VAL 1 3HG2 VAL 1 4.996 5.926 5.947
10 H CYS 2 H CYS 2 4.434 1.309 6.342
11 HA CYS 2 HA CYS 2 4.155 0.620 3.514
12 2HB CYS 2 HB2 CYS 2 2.262 -0.356 5.650
13 H CYS 3 H CYS 3 1.822 0.505 2.590
14 HA CYS 3 HA CYS 3 0.203 2.852 3.485
15 2HB CYS 3 HB2 CYS 3 -1.305 2.189 1.696
16 HA PRO 4 HA PRO 4 -2.006 -0.237 5.940
17 2HB PRO 4 HB2 PRO 4 -2.733 1.537 7.247
18 2HG PRO 4 HG2 PRO 4 -3.338 3.648 6.267
19 2HD PRO 4 HD2 PRO 4 -1.120 3.197 5.533
20 H PHE 5 H PHE 5 -3.861 -1.647 5.662
21 HA PHE 5 HA PHE 5 -4.555 -2.415 3.148
22 2HB PHE 5 HB2 PHE 5 -6.598 -2.603 5.393
23 HD1 PHE 5 HD1 PHE 5 -8.076 -3.103 3.251
24 HD2 PHE 5 HD2 PHE 5 -4.743 -5.542 4.520
25 HE1 PHE 5 HE1 PHE 5 -8.950 -4.998 1.920
26 HE2 PHE 5 HE2 PHE 5 -5.625 -7.431 3.183
27 HZ PHE 5 HZ PHE 5 -7.731 -7.167 1.884
28 H GLY 6 H GLY 6 -6.514 -0.196 5.145
29 1HA GLY 6 HA2 GLY 6 -8.268 0.581 2.909
30 2HA GLY 6 HA3 GLY 6 -8.236 1.251 4.547
31 H GLY 7 H GLY 7 -5.920 0.954 1.803
32 1HA GLY 7 HA2 GLY 7 -5.687 3.782 1.331
33 2HA GLY 7 HA3 GLY 7 -4.397 3.239 2.420
34 H CYS 8 H CYS 8 -3.912 0.663 1.378
35 HA CYS 8 HA CYS 8 -1.939 1.156 -0.462
36 2HB CYS 8 HB2 CYS 8 -3.521 -1.381 0.051
37 H HIS 9 H HIS 9 -1.633 1.260 -2.627
38 HA HIS 9 HA HIS 9 -3.699 0.370 -4.491
39 2HB HIS 9 HB2 HIS 9 -2.954 2.162 -6.037
40 HD1 HIS 9 HD1 HIS 9 -5.137 1.981 -3.144
41 HD2 HIS 9 HD2 HIS 9 -3.725 5.017 -5.697
42 HE1 HIS 9 HE1 HIS 9 -6.752 3.944 -2.914
43 H GLU 10 H GLU 10 -2.348 -0.141 -6.564
44 HA GLU 10 HA GLU 10 -0.353 -2.001 -5.779
45 2HB GLU 10 HB2 GLU 10 -1.647 -2.438 -7.758
46 2HG GLU 10 HG2 GLU 10 -1.025 -1.013 -9.875
47 H LEU 11 H LEU 11 -0.055 1.378 -6.475
48 HA LEU 11 HA LEU 11 2.679 1.483 -7.265
49 2HB LEU 11 HB2 LEU 11 2.349 3.859 -6.318
50 HG LEU 11 HG LEU 11 0.593 2.629 -8.454
51 1HD1 LEU 11 1HD1 LEU 11 -0.744 4.453 -7.469
52 2HD1 LEU 11 2HD1 LEU 11 0.633 5.568 -7.628
53 3HD1 LEU 11 3HD1 LEU 11 -0.159 4.910 -9.078
54 1HD2 LEU 11 1HD2 LEU 11 2.997 2.962 -8.970
55 2HD2 LEU 11 2HD2 LEU 11 1.975 4.020 -9.952
56 3HD2 LEU 11 3HD2 LEU 11 2.849 4.682 -8.557
57 H CYS 12 H CYS 12 1.001 1.206 -4.147
58 HA CYS 12 HA CYS 12 3.366 2.144 -2.643
59 2HB CYS 12 HB2 CYS 12 0.666 1.295 -1.566
60 H TYR 13 H TYR 13 4.446 0.312 -3.593
61 HA TYR 13 HA TYR 13 4.117 -2.196 -3.900
62 2HB TYR 13 HB2 TYR 13 6.662 -1.356 -2.454
63 HD1 TYR 13 HD1 TYR 13 7.241 -3.773 -2.164
64 HD2 TYR 13 HD2 TYR 13 6.345 -2.108 -6.040
65 HE1 TYR 13 HE1 TYR 13 8.338 -5.705 -3.247
66 HE2 TYR 13 HE2 TYR 13 7.455 -4.044 -7.123
67 HH TYR 13 HH TYR 13 8.949 -6.688 -5.242
68 H CYS 14 H CYS 14 4.974 -0.982 -0.764
69 HA CYS 14 HA CYS 14 5.379 -3.441 0.646
70 2HB CYS 14 HB2 CYS 14 4.488 -0.718 1.669
71 H CYS 15 H CYS 15 2.493 -1.426 0.411
72 HA CYS 15 HA CYS 15 0.293 -1.769 0.794
73 2HB CYS 15 HB2 CYS 15 1.008 -4.314 -0.708
74 H ASP 16 H ASP 16 -0.101 -2.087 3.077
75 HA ASP 16 HA ASP 16 -0.228 -4.719 4.287
76 2HB ASP 16 HB2 ASP 16 -1.608 -2.084 4.737
Start of MODEL 11
1 1H VAL 1 H VAL 1 6.524 4.396 4.902
2 HA VAL 1 HA VAL 1 6.310 2.368 6.826
3 HB VAL 1 HB VAL 1 4.040 2.920 7.690
4 1HG1 VAL 1 1HG1 VAL 1 4.748 4.516 9.400
5 2HG1 VAL 1 2HG1 VAL 1 6.048 3.357 9.064
6 3HG1 VAL 1 3HG1 VAL 1 6.138 5.008 8.413
7 1HG2 VAL 1 1HG2 VAL 1 4.527 5.711 6.552
8 2HG2 VAL 1 2HG2 VAL 1 3.323 4.550 5.957
9 3HG2 VAL 1 3HG2 VAL 1 3.179 5.214 7.589
10 H CYS 2 H CYS 2 4.251 1.038 6.274
11 HA CYS 2 HA CYS 2 4.054 0.874 3.346
12 2HB CYS 2 HB2 CYS 2 2.476 -0.752 5.357
13 H CYS 3 H CYS 3 1.643 0.542 2.449
14 HA CYS 3 HA CYS 3 0.223 2.968 3.344
15 2HB CYS 3 HB2 CYS 3 -0.481 3.296 1.285
16 HA PRO 4 HA PRO 4 -2.304 0.100 5.551
17 2HB PRO 4 HB2 PRO 4 -3.013 1.857 6.835
18 2HG PRO 4 HG2 PRO 4 -3.440 4.014 5.857
19 2HD PRO 4 HD2 PRO 4 -1.224 3.358 5.239
20 H PHE 5 H PHE 5 -4.104 -1.378 5.227
21 HA PHE 5 HA PHE 5 -5.136 -1.996 2.736
22 2HB PHE 5 HB2 PHE 5 -7.247 -2.773 3.941
23 HD1 PHE 5 HD1 PHE 5 -5.919 -4.524 2.600
24 HD2 PHE 5 HD2 PHE 5 -4.993 -3.479 6.684
25 HE1 PHE 5 HE1 PHE 5 -4.597 -6.606 2.842
26 HE2 PHE 5 HE2 PHE 5 -3.614 -5.502 6.889
27 HZ PHE 5 HZ PHE 5 -3.429 -7.097 4.984
28 H GLY 6 H GLY 6 -6.573 0.436 4.918
29 1HA GLY 6 HA2 GLY 6 -8.517 1.348 2.908
30 2HA GLY 6 HA3 GLY 6 -8.162 2.075 4.480
31 H GLY 7 H GLY 7 -6.374 1.417 1.412
32 1HA GLY 7 HA2 GLY 7 -5.954 4.100 0.636
33 2HA GLY 7 HA3 GLY 7 -4.614 3.661 1.711
34 H CYS 8 H CYS 8 -4.228 0.988 1.050
35 HA CYS 8 HA CYS 8 -2.351 1.141 -0.947
36 2HB CYS 8 HB2 CYS 8 -3.901 -1.219 0.145
37 H HIS 9 H HIS 9 -2.269 1.066 -3.102
38 HA HIS 9 HA HIS 9 -4.416 -0.089 -4.736
39 2HB HIS 9 HB2 HIS 9 -3.879 1.763 -6.421
40 HD1 HIS 9 HD1 HIS 9 -5.879 1.515 -3.253
41 HD2 HIS 9 HD2 HIS 9 -5.458 4.015 -6.613
42 HE1 HIS 9 HE1 HIS 9 -7.965 2.974 -3.345
43 H GLU 10 H GLU 10 -3.152 -0.127 -7.086
44 HA GLU 10 HA GLU 10 -1.187 -2.030 -6.918
45 2HB GLU 10 HB2 GLU 10 -2.431 -1.592 -8.949
46 2HG GLU 10 HG2 GLU 10 -0.905 1.033 -9.259
47 H LEU 11 H LEU 11 -0.665 1.448 -6.880
48 HA LEU 11 HA LEU 11 2.109 1.447 -7.407
49 2HB LEU 11 HB2 LEU 11 1.046 3.511 -5.508
50 HG LEU 11 HG LEU 11 2.222 3.720 -8.322
51 1HD1 LEU 11 1HD1 LEU 11 1.697 5.850 -6.203
52 2HD1 LEU 11 2HD1 LEU 11 2.441 6.120 -7.793
53 3HD1 LEU 11 3HD1 LEU 11 0.750 5.603 -7.686
54 1HD2 LEU 11 1HD2 LEU 11 4.245 4.667 -7.136
55 2HD2 LEU 11 2HD2 LEU 11 3.557 4.093 -5.603
56 3HD2 LEU 11 3HD2 LEU 11 4.008 2.939 -6.884
57 H CYS 12 H CYS 12 0.362 0.525 -4.508
58 HA CYS 12 HA CYS 12 2.531 1.201 -2.677
59 2HB CYS 12 HB2 CYS 12 0.114 -0.512 -2.089
60 H TYR 13 H TYR 13 4.325 0.029 -3.246
61 HA TYR 13 HA TYR 13 4.618 -2.465 -4.208
62 2HB TYR 13 HB2 TYR 13 6.481 -1.488 -2.009
63 HD1 TYR 13 HD2 TYR 13 7.389 -3.837 -1.951
64 HD2 TYR 13 HD1 TYR 13 7.226 -1.557 -5.608
65 HE1 TYR 13 HE2 TYR 13 8.944 -5.435 -3.017
66 HE2 TYR 13 HE1 TYR 13 8.796 -3.157 -6.670
67 HH TYR 13 HH TYR 13 10.089 -6.000 -4.937
68 H CYS 14 H CYS 14 4.476 -1.729 -0.740
69 HA CYS 14 HA CYS 14 4.768 -4.566 0.017
70 2HB CYS 14 HB2 CYS 14 5.981 -2.953 1.255
71 H CYS 15 H CYS 15 2.395 -2.055 0.368
72 HA CYS 15 HA CYS 15 0.164 -1.918 0.739
73 2HB CYS 15 HB2 CYS 15 0.236 -4.648 -0.614
74 H ASP 16 H ASP 16 -0.109 -1.922 3.005
75 HA ASP 16 HA ASP 16 -0.785 -4.435 4.381
76 2HB ASP 16 HB2 ASP 16 -0.879 -1.478 5.053
Start of MODEL 12
1 1H VAL 1 H VAL 1 6.993 4.253 5.066
2 HA VAL 1 HA VAL 1 6.422 2.409 7.112
3 HB VAL 1 HB VAL 1 4.137 3.209 7.680
4 1HG1 VAL 1 1HG1 VAL 1 6.029 3.640 9.215
5 2HG1 VAL 1 2HG1 VAL 1 6.310 5.210 8.432
6 3HG1 VAL 1 3HG1 VAL 1 4.795 4.910 9.307
7 1HG2 VAL 1 1HG2 VAL 1 3.715 4.706 5.749
8 2HG2 VAL 1 2HG2 VAL 1 3.484 5.545 7.287
9 3HG2 VAL 1 3HG2 VAL 1 4.956 5.830 6.343
10 H CYS 2 H CYS 2 4.390 1.150 6.437
11 HA CYS 2 HA CYS 2 4.315 0.934 3.484
12 2HB CYS 2 HB2 CYS 2 2.745 -0.731 5.470
13 H CYS 3 H CYS 3 1.918 0.588 2.572
14 HA CYS 3 HA CYS 3 0.481 3.005 3.462
15 2HB CYS 3 HB2 CYS 3 -0.386 3.221 1.437
16 HA PRO 4 HA PRO 4 -1.996 0.169 5.831
17 2HB PRO 4 HB2 PRO 4 -2.699 1.970 7.083
18 2HG PRO 4 HG2 PRO 4 -3.120 4.102 6.057
19 2HD PRO 4 HD2 PRO 4 -0.915 3.435 5.416
20 H PHE 5 H PHE 5 -3.794 -1.264 5.612
21 HA PHE 5 HA PHE 5 -4.487 -2.137 3.139
22 2HB PHE 5 HB2 PHE 5 -6.415 -2.274 5.501
23 HD1 PHE 5 HD1 PHE 5 -8.136 -2.754 3.566
24 HD2 PHE 5 HD2 PHE 5 -4.707 -5.235 4.399
25 HE1 PHE 5 HE1 PHE 5 -9.193 -4.631 2.344
26 HE2 PHE 5 HE2 PHE 5 -5.779 -7.117 3.196
27 HZ PHE 5 HZ PHE 5 -8.024 -6.820 2.164
28 H GLY 6 H GLY 6 -6.486 0.105 5.073
29 1HA GLY 6 HA2 GLY 6 -8.292 0.754 2.838
30 2HA GLY 6 HA3 GLY 6 -8.243 1.496 4.445
31 H GLY 7 H GLY 7 -5.998 1.122 1.663
32 1HA GLY 7 HA2 GLY 7 -5.790 3.900 1.007
33 2HA GLY 7 HA3 GLY 7 -4.508 3.475 2.157
34 H CYS 8 H CYS 8 -4.050 0.795 1.304
35 HA CYS 8 HA CYS 8 -2.086 1.095 -0.628
36 2HB CYS 8 HB2 CYS 8 -3.648 -1.308 0.344
37 H HIS 9 H HIS 9 -1.884 0.774 -2.793
38 HA HIS 9 HA HIS 9 -4.127 0.050 -4.517
39 2HB HIS 9 HB2 HIS 9 -3.296 1.976 -6.049
40 HD1 HIS 9 HD1 HIS 9 -4.552 3.077 -2.524
41 HD2 HIS 9 HD2 HIS 9 -5.729 2.661 -6.549
42 HE1 HIS 9 HE1 HIS 9 -6.907 4.025 -2.699
43 H GLU 10 H GLU 10 -2.888 -0.051 -6.845
44 HA GLU 10 HA GLU 10 -0.978 -2.108 -6.617
45 2HB GLU 10 HB2 GLU 10 -2.257 -1.955 -8.613
46 2HG GLU 10 HG2 GLU 10 -1.567 0.005 -10.261
47 H LEU 11 H LEU 11 -0.489 1.380 -6.627
48 HA LEU 11 HA LEU 11 2.264 1.439 -7.298
49 2HB LEU 11 HB2 LEU 11 2.028 3.662 -5.982
50 HG LEU 11 HG LEU 11 0.333 2.908 -8.374
51 1HD1 LEU 11 1HD1 LEU 11 -0.903 4.681 -7.182
52 2HD1 LEU 11 2HD1 LEU 11 0.571 5.674 -7.103
53 3HD1 LEU 11 3HD1 LEU 11 -0.186 5.317 -8.672
54 1HD2 LEU 11 1HD2 LEU 11 2.785 3.100 -8.726
55 2HD2 LEU 11 2HD2 LEU 11 1.915 4.390 -9.565
56 3HD2 LEU 11 3HD2 LEU 11 2.756 4.737 -8.042
57 H CYS 12 H CYS 12 0.589 0.510 -4.334
58 HA CYS 12 HA CYS 12 2.781 1.280 -2.583
59 2HB CYS 12 HB2 CYS 12 0.446 -0.511 -1.890
60 H TYR 13 H TYR 13 4.607 0.167 -3.145
61 HA TYR 13 HA TYR 13 4.988 -2.305 -4.114
62 2HB TYR 13 HB2 TYR 13 6.829 -1.298 -1.913
63 HD1 TYR 13 HD1 TYR 13 7.790 -3.633 -1.917
64 HD2 TYR 13 HD2 TYR 13 7.566 -1.259 -5.511
65 HE1 TYR 13 HE1 TYR 13 9.359 -5.178 -3.035
66 HE2 TYR 13 HE2 TYR 13 9.152 -2.807 -6.625
67 HH TYR 13 HH TYR 13 10.490 -5.682 -4.981
68 H CYS 14 H CYS 14 4.805 -1.594 -0.641
69 HA CYS 14 HA CYS 14 5.174 -4.431 0.094
70 2HB CYS 14 HB2 CYS 14 6.313 -2.811 1.383
71 H CYS 15 H CYS 15 2.717 -1.989 0.462
72 HA CYS 15 HA CYS 15 0.505 -1.900 0.857
73 2HB CYS 15 HB2 CYS 15 0.590 -4.631 -0.490
74 H ASP 16 H ASP 16 -0.141 -1.927 2.998
75 HA ASP 16 HA ASP 16 0.097 -4.188 4.753
76 2HB ASP 16 HB2 ASP 16 -1.690 -1.773 4.645
Start of MODEL 13
1 1H VAL 1 H VAL 1 6.938 4.426 4.864
2 HA VAL 1 HA VAL 1 6.623 2.512 6.900
3 HB VAL 1 HB VAL 1 4.338 3.170 7.642
4 1HG1 VAL 1 1HG1 VAL 1 6.305 3.657 9.059
5 2HG1 VAL 1 2HG1 VAL 1 6.456 5.259 8.305
6 3HG1 VAL 1 3HG1 VAL 1 5.021 4.861 9.270
7 1HG2 VAL 1 1HG2 VAL 1 3.538 5.473 7.363
8 2HG2 VAL 1 2HG2 VAL 1 4.931 5.868 6.340
9 3HG2 VAL 1 3HG2 VAL 1 3.717 4.696 5.784
10 H CYS 2 H CYS 2 4.620 1.152 6.343
11 HA CYS 2 HA CYS 2 4.372 0.942 3.409
12 2HB CYS 2 HB2 CYS 2 2.898 -0.709 5.480
13 H CYS 3 H CYS 3 1.922 0.569 2.608
14 HA CYS 3 HA CYS 3 0.526 2.989 3.552
15 2HB CYS 3 HB2 CYS 3 -0.261 3.288 1.522
16 HA PRO 4 HA PRO 4 -1.917 0.164 5.960
17 2HB PRO 4 HB2 PRO 4 -2.620 1.979 7.196
18 2HG PRO 4 HG2 PRO 4 -3.073 4.093 6.142
19 2HD PRO 4 HD2 PRO 4 -0.867 3.441 5.496
20 H PHE 5 H PHE 5 -3.715 -1.288 5.749
21 HA PHE 5 HA PHE 5 -4.425 -2.191 3.304
22 2HB PHE 5 HB2 PHE 5 -6.278 -2.224 5.733
23 HD1 PHE 5 HD1 PHE 5 -8.232 -2.645 4.137
24 HD2 PHE 5 HD2 PHE 5 -4.751 -5.180 4.270
25 HE1 PHE 5 HE1 PHE 5 -9.496 -4.443 2.984
26 HE2 PHE 5 HE2 PHE 5 -6.022 -6.987 3.135
27 HZ PHE 5 HZ PHE 5 -8.399 -6.622 2.493
28 H GLY 6 H GLY 6 -6.430 0.100 5.185
29 1HA GLY 6 HA2 GLY 6 -8.205 0.710 2.916
30 2HA GLY 6 HA3 GLY 6 -8.184 1.471 4.511
31 H GLY 7 H GLY 7 -5.881 1.078 1.780
32 1HA GLY 7 HA2 GLY 7 -5.720 3.848 1.070
33 2HA GLY 7 HA3 GLY 7 -4.443 3.472 2.242
34 H CYS 8 H CYS 8 -3.946 0.783 1.437
35 HA CYS 8 HA CYS 8 -2.009 1.027 -0.563
36 2HB CYS 8 HB2 CYS 8 -3.530 -1.291 0.645
37 H HIS 9 H HIS 9 -1.932 0.701 -2.759
38 HA HIS 9 HA HIS 9 -4.115 -0.465 -4.188
39 2HB HIS 9 HB2 HIS 9 -3.344 2.229 -5.329
40 HD1 HIS 9 HD1 HIS 9 -4.704 1.860 -7.661
41 HD2 HIS 9 HD2 HIS 9 -6.705 0.604 -4.149
42 HE1 HIS 9 HE1 HIS 9 -7.025 1.164 -8.350
43 H GLU 10 H GLU 10 -3.094 0.430 -6.726
44 HA GLU 10 HA GLU 10 -1.264 -1.576 -7.187
45 2HB GLU 10 HB2 GLU 10 -2.678 -0.524 -8.877
46 2HG GLU 10 HG2 GLU 10 -0.836 1.778 -9.349
47 H LEU 11 H LEU 11 -0.447 1.821 -6.445
48 HA LEU 11 HA LEU 11 2.319 1.578 -7.119
49 2HB LEU 11 HB2 LEU 11 2.322 3.753 -5.703
50 HG LEU 11 HG LEU 11 0.624 3.328 -8.172
51 1HD1 LEU 11 1HD1 LEU 11 -0.408 5.194 -6.931
52 2HD1 LEU 11 2HD1 LEU 11 1.178 5.983 -6.772
53 3HD1 LEU 11 3HD1 LEU 11 0.430 5.791 -8.374
54 1HD2 LEU 11 1HD2 LEU 11 2.421 4.640 -9.254
55 2HD2 LEU 11 2HD2 LEU 11 3.254 4.807 -7.696
56 3HD2 LEU 11 3HD2 LEU 11 3.090 3.212 -8.456
57 H CYS 12 H CYS 12 0.515 0.401 -4.403
58 HA CYS 12 HA CYS 12 2.547 1.138 -2.428
59 2HB CYS 12 HB2 CYS 12 0.147 -0.639 -2.005
60 H TYR 13 H TYR 13 4.342 0.052 -3.246
61 HA TYR 13 HA TYR 13 4.747 -2.422 -4.149
62 2HB TYR 13 HB2 TYR 13 6.651 -1.335 -2.040
63 HD1 TYR 13 HD2 TYR 13 7.667 -3.650 -2.048
64 HD2 TYR 13 HD1 TYR 13 7.266 -1.322 -5.657
65 HE1 TYR 13 HE2 TYR 13 9.270 -5.145 -3.190
66 HE2 TYR 13 HE1 TYR 13 8.884 -2.819 -6.795
67 HH TYR 13 HH TYR 13 10.382 -5.616 -5.155
68 H CYS 14 H CYS 14 4.674 -1.657 -0.695
69 HA CYS 14 HA CYS 14 5.151 -4.470 0.085
70 2HB CYS 14 HB2 CYS 14 6.311 -2.798 1.284
71 H CYS 15 H CYS 15 2.658 -2.079 0.507
72 HA CYS 15 HA CYS 15 0.475 -2.026 1.061
73 2HB CYS 15 HB2 CYS 15 0.502 -4.786 -0.215
74 H ASP 16 H ASP 16 -0.085 -1.985 3.179
75 HA ASP 16 HA ASP 16 0.281 -4.118 5.051
76 2HB ASP 16 HB2 ASP 16 -1.623 -1.803 4.813
Start of MODEL 14
1 1H VAL 1 H VAL 1 8.052 2.130 5.921
2 HA VAL 1 HA VAL 1 6.051 1.993 7.819
3 HB VAL 1 HB VAL 1 4.551 3.829 7.123
4 1HG1 VAL 1 1HG1 VAL 1 6.014 4.116 9.098
5 2HG1 VAL 1 2HG1 VAL 1 7.241 4.891 8.074
6 3HG1 VAL 1 3HG1 VAL 1 5.653 5.651 8.291
7 1HG2 VAL 1 1HG2 VAL 1 5.380 5.736 5.815
8 2HG2 VAL 1 2HG2 VAL 1 6.922 4.908 5.531
9 3HG2 VAL 1 3HG2 VAL 1 5.417 4.261 4.841
10 H CYS 2 H CYS 2 3.777 2.021 6.334
11 HA CYS 2 HA CYS 2 4.227 1.028 3.645
12 2HB CYS 2 HB2 CYS 2 2.688 -0.705 5.615
13 H CYS 3 H CYS 3 1.804 0.598 2.724
14 HA CYS 3 HA CYS 3 0.330 2.979 3.652
15 2HB CYS 3 HB2 CYS 3 -0.367 3.330 1.596
16 HA PRO 4 HA PRO 4 -2.141 0.022 5.847
17 2HB PRO 4 HB2 PRO 4 -2.930 1.757 7.120
18 2HG PRO 4 HG2 PRO 4 -3.388 3.906 6.148
19 2HD PRO 4 HD2 PRO 4 -1.140 3.316 5.576
20 H PHE 5 H PHE 5 -3.777 -1.530 5.441
21 HA PHE 5 HA PHE 5 -4.605 -2.304 2.988
22 2HB PHE 5 HB2 PHE 5 -6.336 -2.342 5.512
23 HD1 PHE 5 HD2 PHE 5 -5.101 -5.216 3.596
24 HD2 PHE 5 HD1 PHE 5 -8.461 -2.600 4.231
25 HE1 PHE 5 HE2 PHE 5 -6.586 -6.845 2.442
26 HE2 PHE 5 HE1 PHE 5 -9.943 -4.215 3.065
27 HZ PHE 5 HZ PHE 5 -9.011 -6.346 2.179
28 H GLY 6 H GLY 6 -6.547 -0.047 4.988
29 1HA GLY 6 HA2 GLY 6 -8.316 0.661 2.745
30 2HA GLY 6 HA3 GLY 6 -8.278 1.373 4.364
31 H GLY 7 H GLY 7 -6.013 1.055 1.578
32 1HA GLY 7 HA2 GLY 7 -5.842 3.829 0.948
33 2HA GLY 7 HA3 GLY 7 -4.587 3.460 2.146
34 H CYS 8 H CYS 8 -4.059 0.769 1.274
35 HA CYS 8 HA CYS 8 -2.020 1.116 -0.595
36 2HB CYS 8 HB2 CYS 8 -3.591 -1.274 0.382
37 H HIS 9 H HIS 9 -1.758 0.780 -2.798
38 HA HIS 9 HA HIS 9 -3.983 -0.024 -4.474
39 2HB HIS 9 HB2 HIS 9 -2.631 2.272 -5.701
40 HD1 HIS 9 HD1 HIS 9 -4.338 2.173 -7.644
41 HD2 HIS 9 HD2 HIS 9 -6.068 2.186 -3.806
42 HE1 HIS 9 HE1 HIS 9 -6.877 2.396 -7.978
43 H GLU 10 H GLU 10 -2.540 0.480 -6.858
44 HA GLU 10 HA GLU 10 -0.845 -1.842 -6.883
45 2HB GLU 10 HB2 GLU 10 -0.554 -1.404 -9.156
46 2HG GLU 10 HG2 GLU 10 -3.098 -1.280 -8.359
47 H LEU 11 H LEU 11 -0.394 1.579 -6.655
48 HA LEU 11 HA LEU 11 2.412 1.830 -7.018
49 2HB LEU 11 HB2 LEU 11 1.906 3.887 -5.476
50 HG LEU 11 HG LEU 11 2.179 4.075 -7.921
51 1HD1 LEU 11 1HD1 LEU 11 -0.823 3.511 -7.997
52 2HD1 LEU 11 2HD1 LEU 11 0.115 4.186 -9.344
53 3HD1 LEU 11 3HD1 LEU 11 0.465 2.556 -8.771
54 1HD2 LEU 11 1HD2 LEU 11 1.604 6.038 -6.538
55 2HD2 LEU 11 2HD2 LEU 11 0.889 6.159 -8.155
56 3HD2 LEU 11 3HD2 LEU 11 -0.126 5.703 -6.770
57 H CYS 12 H CYS 12 0.584 0.556 -4.268
58 HA CYS 12 HA CYS 12 2.660 1.353 -2.351
59 2HB CYS 12 HB2 CYS 12 0.303 -0.462 -1.844
60 H TYR 13 H TYR 13 4.508 0.271 -2.957
61 HA TYR 13 HA TYR 13 4.891 -2.197 -3.960
62 2HB TYR 13 HB2 TYR 13 6.745 -1.201 -1.765
63 HD1 TYR 13 HD1 TYR 13 7.747 -3.511 -1.793
64 HD2 TYR 13 HD2 TYR 13 7.423 -1.134 -5.378
65 HE1 TYR 13 HE1 TYR 13 9.347 -5.018 -2.945
66 HE2 TYR 13 HE2 TYR 13 9.022 -2.635 -6.519
67 HH TYR 13 HH TYR 13 10.340 -4.516 -6.340
68 H CYS 14 H CYS 14 4.743 -1.517 -0.476
69 HA CYS 14 HA CYS 14 5.142 -4.353 0.234
70 2HB CYS 14 HB2 CYS 14 6.278 -2.716 1.511
71 H CYS 15 H CYS 15 2.666 -1.949 0.604
72 HA CYS 15 HA CYS 15 0.434 -1.896 0.976
73 2HB CYS 15 HB2 CYS 15 0.594 -4.614 -0.387
74 H ASP 16 H ASP 16 0.057 -1.908 3.208
75 HA ASP 16 HA ASP 16 -0.395 -4.465 4.601
76 2HB ASP 16 HB2 ASP 16 -0.690 -1.519 5.268
Start of MODEL 15
1 1H VAL 1 H VAL 1 6.892 4.393 5.160
2 HA VAL 1 HA VAL 1 6.713 2.301 7.027
3 HB VAL 1 HB VAL 1 4.421 2.790 7.878
4 1HG1 VAL 1 1HG1 VAL 1 5.086 4.346 9.643
5 2HG1 VAL 1 2HG1 VAL 1 6.405 3.216 9.289
6 3HG1 VAL 1 3HG1 VAL 1 6.480 4.885 8.687
7 1HG2 VAL 1 1HG2 VAL 1 4.880 5.625 6.837
8 2HG2 VAL 1 2HG2 VAL 1 3.703 4.465 6.185
9 3HG2 VAL 1 3HG2 VAL 1 3.525 5.071 7.838
10 H CYS 2 H CYS 2 4.716 0.927 6.413
11 HA CYS 2 HA CYS 2 4.478 0.868 3.484
12 2HB CYS 2 HB2 CYS 2 2.923 -0.818 5.465
13 H CYS 3 H CYS 3 2.037 0.576 2.615
14 HA CYS 3 HA CYS 3 0.673 2.994 3.609
15 2HB CYS 3 HB2 CYS 3 -0.071 3.378 1.575
16 HA PRO 4 HA PRO 4 -1.883 0.136 5.860
17 2HB PRO 4 HB2 PRO 4 -2.628 1.912 7.112
18 2HG PRO 4 HG2 PRO 4 -3.012 4.062 6.110
19 2HD PRO 4 HD2 PRO 4 -0.785 3.402 5.537
20 H PHE 5 H PHE 5 -3.622 -1.363 5.475
21 HA PHE 5 HA PHE 5 -4.331 -2.081 2.950
22 2HB PHE 5 HB2 PHE 5 -5.996 -2.295 5.505
23 HD1 PHE 5 HD1 PHE 5 -4.871 -4.887 3.138
24 HD2 PHE 5 HD2 PHE 5 -8.209 -2.539 4.477
25 HE1 PHE 5 HE1 PHE 5 -6.425 -6.415 1.922
26 HE2 PHE 5 HE2 PHE 5 -9.769 -4.046 3.255
27 HZ PHE 5 HZ PHE 5 -8.878 -5.992 1.987
28 H GLY 6 H GLY 6 -6.255 0.086 5.040
29 1HA GLY 6 HA2 GLY 6 -8.090 0.877 2.879
30 2HA GLY 6 HA3 GLY 6 -7.974 1.557 4.508
31 H GLY 7 H GLY 7 -5.862 1.241 1.613
32 1HA GLY 7 HA2 GLY 7 -5.617 3.991 0.985
33 2HA GLY 7 HA3 GLY 7 -4.342 3.605 2.156
34 H CYS 8 H CYS 8 -3.923 0.886 1.304
35 HA CYS 8 HA CYS 8 -1.916 1.148 -0.612
36 2HB CYS 8 HB2 CYS 8 -3.523 -1.177 0.458
37 H HIS 9 H HIS 9 -1.723 0.752 -2.816
38 HA HIS 9 HA HIS 9 -4.010 -0.013 -4.426
39 2HB HIS 9 HB2 HIS 9 -2.654 2.229 -5.730
40 HD1 HIS 9 HD1 HIS 9 -4.446 2.104 -7.595
41 HD2 HIS 9 HD2 HIS 9 -5.997 2.332 -3.688
42 HE1 HIS 9 HE1 HIS 9 -6.987 2.418 -7.825
43 H GLU 10 H GLU 10 -2.629 0.418 -6.852
44 HA GLU 10 HA GLU 10 -0.934 -1.906 -6.890
45 2HB GLU 10 HB2 GLU 10 -0.698 -1.489 -9.178
46 2HG GLU 10 HG2 GLU 10 -3.221 -1.382 -8.310
47 H LEU 11 H LEU 11 -0.489 1.519 -6.721
48 HA LEU 11 HA LEU 11 2.300 1.798 -7.138
49 2HB LEU 11 HB2 LEU 11 1.816 3.848 -5.591
50 HG LEU 11 HG LEU 11 1.984 4.041 -8.045
51 1HD1 LEU 11 1HD1 LEU 11 -1.011 3.438 -7.996
52 2HD1 LEU 11 2HD1 LEU 11 -0.141 4.133 -9.379
53 3HD1 LEU 11 3HD1 LEU 11 0.256 2.505 -8.831
54 1HD2 LEU 11 1HD2 LEU 11 -0.293 5.635 -6.794
55 2HD2 LEU 11 2HD2 LEU 11 1.440 5.993 -6.634
56 3HD2 LEU 11 3HD2 LEU 11 0.658 6.109 -8.218
57 H CYS 12 H CYS 12 0.536 0.533 -4.339
58 HA CYS 12 HA CYS 12 2.668 1.307 -2.473
59 2HB CYS 12 HB2 CYS 12 0.292 -0.471 -1.924
60 H TYR 13 H TYR 13 4.475 0.208 -3.173
61 HA TYR 13 HA TYR 13 4.843 -2.248 -4.186
62 2HB TYR 13 HB2 TYR 13 6.683 -1.188 -1.996
63 HD1 TYR 13 HD1 TYR 13 7.398 -1.458 -5.604
64 HD2 TYR 13 HD2 TYR 13 7.714 -3.455 -1.794
65 HE1 TYR 13 HE1 TYR 13 9.006 -3.077 -6.579
66 HE2 TYR 13 HE2 TYR 13 9.306 -5.072 -2.772
67 HH TYR 13 HH TYR 13 10.430 -5.740 -4.671
68 H CYS 14 H CYS 14 4.799 -1.598 -0.703
69 HA CYS 14 HA CYS 14 5.177 -4.444 -0.023
70 2HB CYS 14 HB2 CYS 14 6.362 -2.843 1.247
71 H CYS 15 H CYS 15 2.737 -2.017 0.450
72 HA CYS 15 HA CYS 15 0.543 -1.929 0.957
73 2HB CYS 15 HB2 CYS 15 0.556 -4.651 -0.411
74 H ASP 16 H ASP 16 0.004 -1.950 3.097
75 HA ASP 16 HA ASP 16 0.307 -4.187 4.867
76 2HB ASP 16 HB2 ASP 16 -1.445 -1.751 4.777
Start of MODEL 16
1 1H VAL 1 H VAL 1 7.138 4.170 4.945
2 HA VAL 1 HA VAL 1 6.622 2.326 7.003
3 HB VAL 1 HB VAL 1 4.367 3.143 7.657
4 1HG1 VAL 1 1HG1 VAL 1 5.098 4.832 9.264
5 2HG1 VAL 1 2HG1 VAL 1 6.317 3.553 9.122
6 3HG1 VAL 1 3HG1 VAL 1 6.582 5.124 8.337
7 1HG2 VAL 1 1HG2 VAL 1 3.719 5.486 7.297
8 2HG2 VAL 1 2HG2 VAL 1 5.158 5.762 6.299
9 3HG2 VAL 1 3HG2 VAL 1 3.887 4.650 5.748
10 H CYS 2 H CYS 2 4.548 1.095 6.397
11 HA CYS 2 HA CYS 2 4.378 0.889 3.448
12 2HB CYS 2 HB2 CYS 2 2.875 -0.789 5.476
13 H CYS 3 H CYS 3 1.921 0.529 2.623
14 HA CYS 3 HA CYS 3 0.550 2.959 3.580
15 2HB CYS 3 HB2 CYS 3 -0.181 3.317 1.540
16 HA PRO 4 HA PRO 4 -2.001 0.140 5.871
17 2HB PRO 4 HB2 PRO 4 -2.731 1.946 7.104
18 2HG PRO 4 HG2 PRO 4 -3.118 4.079 6.064
19 2HD PRO 4 HD2 PRO 4 -0.898 3.403 5.485
20 H PHE 5 H PHE 5 -3.779 -1.319 5.572
21 HA PHE 5 HA PHE 5 -4.522 -2.140 3.105
22 2HB PHE 5 HB2 PHE 5 -6.174 -2.185 5.674
23 HD1 PHE 5 HD2 PHE 5 -5.142 -4.770 3.222
24 HD2 PHE 5 HD1 PHE 5 -8.424 -2.529 4.854
25 HE1 PHE 5 HE2 PHE 5 -6.751 -6.283 2.054
26 HE2 PHE 5 HE1 PHE 5 -10.036 -4.024 3.689
27 HZ PHE 5 HZ PHE 5 -9.200 -5.909 2.297
28 H GLY 6 H GLY 6 -6.397 0.176 5.078
29 1HA GLY 6 HA2 GLY 6 -8.232 0.884 2.889
30 2HA GLY 6 HA3 GLY 6 -8.098 1.645 4.481
31 H GLY 7 H GLY 7 -5.978 1.139 1.623
32 1HA GLY 7 HA2 GLY 7 -5.688 3.865 0.863
33 2HA GLY 7 HA3 GLY 7 -4.406 3.476 2.027
34 H CYS 8 H CYS 8 -3.987 0.757 1.322
35 HA CYS 8 HA CYS 8 -2.024 0.931 -0.637
36 2HB CYS 8 HB2 CYS 8 -3.582 -1.388 0.520
37 H HIS 9 H HIS 9 -1.990 0.967 -2.810
38 HA HIS 9 HA HIS 9 -4.195 -0.128 -4.426
39 2HB HIS 9 HB2 HIS 9 -3.865 1.823 -5.966
40 HD1 HIS 9 HD1 HIS 9 -5.728 1.135 -2.986
41 HD2 HIS 9 HD2 HIS 9 -4.811 4.588 -5.213
42 HE1 HIS 9 HE1 HIS 9 -7.523 2.861 -2.437
43 H GLU 10 H GLU 10 -3.007 0.113 -6.836
44 HA GLU 10 HA GLU 10 -1.101 -1.853 -6.976
45 2HB GLU 10 HB2 GLU 10 -1.450 0.543 -8.848
46 2HG GLU 10 HG2 GLU 10 -0.522 -2.289 -9.482
47 H LEU 11 H LEU 11 -0.452 1.644 -6.590
48 HA LEU 11 HA LEU 11 2.339 1.526 -7.130
49 2HB LEU 11 HB2 LEU 11 2.167 3.717 -5.733
50 HG LEU 11 HG LEU 11 2.278 3.741 -8.185
51 1HD1 LEU 11 1HD1 LEU 11 -0.758 3.454 -8.056
52 2HD1 LEU 11 2HD1 LEU 11 0.146 3.977 -9.490
53 3HD1 LEU 11 3HD1 LEU 11 0.393 2.353 -8.855
54 1HD2 LEU 11 1HD2 LEU 11 0.208 5.648 -7.015
55 2HD2 LEU 11 2HD2 LEU 11 1.973 5.829 -6.900
56 3HD2 LEU 11 3HD2 LEU 11 1.175 5.923 -8.479
57 H CYS 12 H CYS 12 0.542 0.433 -4.358
58 HA CYS 12 HA CYS 12 2.600 1.209 -2.423
59 2HB CYS 12 HB2 CYS 12 0.218 -0.590 -1.957
60 H TYR 13 H TYR 13 4.403 0.128 -3.212
61 HA TYR 13 HA TYR 13 4.808 -2.327 -4.161
62 2HB TYR 13 HB2 TYR 13 6.715 -1.300 -2.028
63 HD1 TYR 13 HD1 TYR 13 7.769 -3.590 -2.131
64 HD2 TYR 13 HD2 TYR 13 7.280 -1.151 -5.654
65 HE1 TYR 13 HE1 TYR 13 9.397 -5.011 -3.349
66 HE2 TYR 13 HE2 TYR 13 8.906 -2.566 -6.862
67 HH TYR 13 HH TYR 13 10.299 -4.397 -6.752
68 H CYS 14 H CYS 14 4.707 -1.632 -0.694
69 HA CYS 14 HA CYS 14 5.190 -4.459 0.038
70 2HB CYS 14 HB2 CYS 14 6.342 -2.806 1.273
71 H CYS 15 H CYS 15 2.694 -2.080 0.479
72 HA CYS 15 HA CYS 15 0.501 -2.033 0.981
73 2HB CYS 15 HB2 CYS 15 0.574 -4.798 -0.291
74 H ASP 16 H ASP 16 -0.126 -1.999 3.089
75 HA ASP 16 HA ASP 16 0.178 -4.168 4.945
76 2HB ASP 16 HB2 ASP 16 -1.675 -1.813 4.712
Start of MODEL 17
1 1H VAL 1 H VAL 1 7.152 4.165 4.897
2 HA VAL 1 HA VAL 1 6.696 2.263 6.913
3 HB VAL 1 HB VAL 1 4.455 3.055 7.651
4 1HG1 VAL 1 1HG1 VAL 1 5.230 4.693 9.291
5 2HG1 VAL 1 2HG1 VAL 1 6.443 3.419 9.078
6 3HG1 VAL 1 3HG1 VAL 1 6.689 5.013 8.335
7 1HG2 VAL 1 1HG2 VAL 1 3.929 4.621 5.802
8 2HG2 VAL 1 2HG2 VAL 1 3.798 5.406 7.381
9 3HG2 VAL 1 3HG2 VAL 1 5.212 5.717 6.360
10 H CYS 2 H CYS 2 4.599 1.050 6.332
11 HA CYS 2 HA CYS 2 4.382 0.892 3.388
12 2HB CYS 2 HB2 CYS 2 2.869 -0.781 5.413
13 H CYS 3 H CYS 3 1.918 0.575 2.577
14 HA CYS 3 HA CYS 3 0.565 3.000 3.576
15 2HB CYS 3 HB2 CYS 3 -0.161 3.399 1.543
16 HA PRO 4 HA PRO 4 -1.962 0.181 5.851
17 2HB PRO 4 HB2 PRO 4 -2.696 1.981 7.079
18 2HG PRO 4 HG2 PRO 4 -3.126 4.104 6.036
19 2HD PRO 4 HD2 PRO 4 -0.901 3.445 5.450
20 H PHE 5 H PHE 5 -3.689 -1.326 5.563
21 HA PHE 5 HA PHE 5 -4.448 -2.152 3.092
22 2HB PHE 5 HB2 PHE 5 -5.977 -2.293 5.733
23 HD1 PHE 5 HD1 PHE 5 -5.054 -4.809 3.170
24 HD2 PHE 5 HD2 PHE 5 -8.260 -2.660 5.053
25 HE1 PHE 5 HE1 PHE 5 -6.707 -6.342 2.092
26 HE2 PHE 5 HE2 PHE 5 -9.919 -4.173 3.977
27 HZ PHE 5 HZ PHE 5 -9.142 -6.023 2.505
28 H GLY 6 H GLY 6 -6.365 0.050 5.154
29 1HA GLY 6 HA2 GLY 6 -8.283 0.702 3.019
30 2HA GLY 6 HA3 GLY 6 -8.146 1.447 4.619
31 H GLY 7 H GLY 7 -6.083 1.086 1.693
32 1HA GLY 7 HA2 GLY 7 -5.941 3.841 0.995
33 2HA GLY 7 HA3 GLY 7 -4.603 3.482 2.104
34 H CYS 8 H CYS 8 -4.075 0.822 1.330
35 HA CYS 8 HA CYS 8 -2.178 1.085 -0.660
36 2HB CYS 8 HB2 CYS 8 -3.679 -1.287 0.460
37 H HIS 9 H HIS 9 -2.056 0.853 -2.846
38 HA HIS 9 HA HIS 9 -4.256 -0.160 -4.461
39 2HB HIS 9 HB2 HIS 9 -3.754 1.827 -6.056
40 HD1 HIS 9 HD1 HIS 9 -4.986 2.850 -2.504
41 HD2 HIS 9 HD2 HIS 9 -6.271 2.202 -6.463
42 HE1 HIS 9 HE1 HIS 9 -7.447 3.501 -2.591
43 H GLU 10 H GLU 10 -3.057 0.006 -6.854
44 HA GLU 10 HA GLU 10 -1.086 -1.891 -6.907
45 2HB GLU 10 HB2 GLU 10 -1.477 0.410 -8.887
46 2HG GLU 10 HG2 GLU 10 -0.515 -2.444 -9.363
47 H LEU 11 H LEU 11 -0.548 1.636 -6.622
48 HA LEU 11 HA LEU 11 2.225 1.627 -7.164
49 2HB LEU 11 HB2 LEU 11 1.996 3.828 -5.791
50 HG LEU 11 HG LEU 11 0.410 3.197 -8.293
51 1HD1 LEU 11 1HD1 LEU 11 -0.802 5.001 -7.117
52 2HD1 LEU 11 2HD1 LEU 11 0.709 5.917 -6.937
53 3HD1 LEU 11 3HD1 LEU 11 0.021 5.638 -8.551
54 1HD2 LEU 11 1HD2 LEU 11 2.895 4.901 -7.780
55 2HD2 LEU 11 2HD2 LEU 11 2.885 3.286 -8.516
56 3HD2 LEU 11 3HD2 LEU 11 2.121 4.642 -9.355
57 H CYS 12 H CYS 12 0.475 0.523 -4.356
58 HA CYS 12 HA CYS 12 2.573 1.278 -2.458
59 2HB CYS 12 HB2 CYS 12 0.189 -0.508 -1.951
60 H TYR 13 H TYR 13 4.354 0.185 -3.273
61 HA TYR 13 HA TYR 13 4.760 -2.258 -4.242
62 2HB TYR 13 HB2 TYR 13 6.613 -1.205 -2.064
63 HD1 TYR 13 HD1 TYR 13 7.695 -3.460 -1.984
64 HD2 TYR 13 HD2 TYR 13 7.276 -1.288 -5.687
65 HE1 TYR 13 HE1 TYR 13 9.349 -4.956 -3.049
66 HE2 TYR 13 HE2 TYR 13 8.943 -2.788 -6.749
67 HH TYR 13 HH TYR 13 10.499 -5.473 -4.979
68 H CYS 14 H CYS 14 4.658 -1.602 -0.772
69 HA CYS 14 HA CYS 14 5.093 -4.444 -0.067
70 2HB CYS 14 HB2 CYS 14 6.275 -2.825 1.182
71 H CYS 15 H CYS 15 2.637 -2.029 0.404
72 HA CYS 15 HA CYS 15 0.447 -1.953 0.932
73 2HB CYS 15 HB2 CYS 15 0.463 -4.691 -0.396
74 H ASP 16 H ASP 16 -0.104 -1.947 3.064
75 HA ASP 16 HA ASP 16 0.242 -4.145 4.872
76 2HB ASP 16 HB2 ASP 16 -1.566 -1.749 4.748
Start of MODEL 18
1 1H VAL 1 H VAL 1 6.780 4.418 4.966
2 HA VAL 1 HA VAL 1 6.460 2.465 6.969
3 HB VAL 1 HB VAL 1 4.357 4.676 6.935
4 1HG1 VAL 1 1HG1 VAL 1 4.639 2.175 8.653
5 2HG1 VAL 1 2HG1 VAL 1 3.507 3.499 8.988
6 3HG1 VAL 1 3HG1 VAL 1 3.322 2.560 7.515
7 1HG2 VAL 1 1HG2 VAL 1 5.112 5.178 9.268
8 2HG2 VAL 1 2HG2 VAL 1 6.461 4.043 9.057
9 3HG2 VAL 1 3HG2 VAL 1 6.371 5.527 8.083
10 H CYS 2 H CYS 2 4.451 1.169 6.365
11 HA CYS 2 HA CYS 2 4.265 1.021 3.442
12 2HB CYS 2 HB2 CYS 2 2.649 -0.610 5.420
13 H CYS 3 H CYS 3 1.865 0.690 2.507
14 HA CYS 3 HA CYS 3 0.480 3.156 3.338
15 2HB CYS 3 HB2 CYS 3 -0.327 3.379 1.293
16 HA PRO 4 HA PRO 4 -2.010 0.439 5.763
17 2HB PRO 4 HB2 PRO 4 -2.679 2.282 6.967
18 2HG PRO 4 HG2 PRO 4 -3.106 4.383 5.879
19 2HD PRO 4 HD2 PRO 4 -0.917 3.664 5.237
20 H PHE 5 H PHE 5 -3.831 -0.949 5.683
21 HA PHE 5 HA PHE 5 -4.558 -2.010 3.320
22 2HB PHE 5 HB2 PHE 5 -6.634 -1.972 5.534
23 HD1 PHE 5 HD2 PHE 5 -7.917 -2.898 3.375
24 HD2 PHE 5 HD1 PHE 5 -4.615 -4.897 5.313
25 HE1 PHE 5 HE2 PHE 5 -8.634 -5.051 2.386
26 HE2 PHE 5 HE1 PHE 5 -5.337 -7.043 4.315
27 HZ PHE 5 HZ PHE 5 -7.351 -7.130 2.857
28 H GLY 6 H GLY 6 -6.592 0.380 5.039
29 1HA GLY 6 HA2 GLY 6 -8.351 0.828 2.716
30 2HA GLY 6 HA3 GLY 6 -8.371 1.672 4.271
31 H GLY 7 H GLY 7 -5.987 1.171 1.624
32 1HA GLY 7 HA2 GLY 7 -5.823 3.955 0.860
33 2HA GLY 7 HA3 GLY 7 -4.542 3.537 2.013
34 H CYS 8 H CYS 8 -4.010 0.885 1.231
35 HA CYS 8 HA CYS 8 -2.100 1.148 -0.750
36 2HB CYS 8 HB2 CYS 8 -3.630 -1.246 0.293
37 H HIS 9 H HIS 9 -1.952 0.914 -2.926
38 HA HIS 9 HA HIS 9 -4.158 -0.057 -4.565
39 2HB HIS 9 HB2 HIS 9 -3.564 1.860 -6.188
40 HD1 HIS 9 HD1 HIS 9 -4.761 2.973 -2.643
41 HD2 HIS 9 HD2 HIS 9 -6.031 2.449 -6.626
42 HE1 HIS 9 HE1 HIS 9 -7.169 3.790 -2.758
43 H GLU 10 H GLU 10 -2.930 -0.053 -6.923
44 HA GLU 10 HA GLU 10 -1.024 -2.016 -6.854
45 2HB GLU 10 HB2 GLU 10 -0.618 -1.506 -9.190
46 2HG GLU 10 HG2 GLU 10 -3.479 -0.572 -8.664
47 H LEU 11 H LEU 11 -0.437 1.475 -6.731
48 HA LEU 11 HA LEU 11 2.326 1.483 -7.298
49 2HB LEU 11 HB2 LEU 11 2.099 3.709 -5.981
50 HG LEU 11 HG LEU 11 0.447 2.990 -8.413
51 1HD1 LEU 11 1HD1 LEU 11 -0.776 4.788 -7.243
52 2HD1 LEU 11 2HD1 LEU 11 0.715 5.748 -7.129
53 3HD1 LEU 11 3HD1 LEU 11 -0.013 5.412 -8.715
54 1HD2 LEU 11 1HD2 LEU 11 2.900 4.769 -8.019
55 2HD2 LEU 11 2HD2 LEU 11 2.912 3.134 -8.708
56 3HD2 LEU 11 3HD2 LEU 11 2.089 4.444 -9.562
57 H CYS 12 H CYS 12 0.627 0.446 -4.415
58 HA CYS 12 HA CYS 12 2.751 1.284 -2.594
59 2HB CYS 12 HB2 CYS 12 0.421 -0.527 -1.951
60 H TYR 13 H TYR 13 4.592 0.188 -3.153
61 HA TYR 13 HA TYR 13 5.001 -2.286 -4.103
62 2HB TYR 13 HB2 TYR 13 6.850 -1.295 -1.910
63 HD1 TYR 13 HD2 TYR 13 7.881 -3.591 -2.034
64 HD2 TYR 13 HD1 TYR 13 7.493 -1.088 -5.524
65 HE1 TYR 13 HE2 TYR 13 9.501 -5.018 -3.237
66 HE2 TYR 13 HE1 TYR 13 9.123 -2.520 -6.726
67 HH TYR 13 HH TYR 13 10.631 -5.383 -5.214
68 H CYS 14 H CYS 14 4.762 -1.562 -0.640
69 HA CYS 14 HA CYS 14 5.134 -4.395 0.126
70 2HB CYS 14 HB2 CYS 14 6.267 -2.768 1.412
71 H CYS 15 H CYS 15 2.685 -1.941 0.440
72 HA CYS 15 HA CYS 15 0.469 -1.834 0.805
73 2HB CYS 15 HB2 CYS 15 0.560 -4.593 -0.488
74 H ASP 16 H ASP 16 -0.224 -1.805 2.923
75 HA ASP 16 HA ASP 16 -0.163 -4.127 4.663
76 2HB ASP 16 HB2 ASP 16 -1.712 -1.547 4.620
Start of MODEL 19
1 1H VAL 1 H VAL 1 6.505 4.191 5.214
2 HA VAL 1 HA VAL 1 6.296 2.053 7.015
3 HB VAL 1 HB VAL 1 4.024 2.552 7.912
4 1HG1 VAL 1 1HG1 VAL 1 4.735 4.038 9.717
5 2HG1 VAL 1 2HG1 VAL 1 6.034 2.902 9.308
6 3HG1 VAL 1 3HG1 VAL 1 6.125 4.590 8.761
7 1HG2 VAL 1 1HG2 VAL 1 4.513 5.409 6.952
8 2HG2 VAL 1 2HG2 VAL 1 3.310 4.287 6.282
9 3HG2 VAL 1 3HG2 VAL 1 3.163 4.845 7.953
10 H CYS 2 H CYS 2 4.221 0.766 6.390
11 HA CYS 2 HA CYS 2 4.048 0.746 3.462
12 2HB CYS 2 HB2 CYS 2 2.383 -0.912 5.377
13 H CYS 3 H CYS 3 1.628 0.519 2.514
14 HA CYS 3 HA CYS 3 0.314 2.985 3.466
15 2HB CYS 3 HB2 CYS 3 -0.346 3.398 1.409
16 HA PRO 4 HA PRO 4 -2.295 0.190 5.679
17 2HB PRO 4 HB2 PRO 4 -2.968 1.948 6.961
18 2HG PRO 4 HG2 PRO 4 -3.313 4.125 6.001
19 2HD PRO 4 HD2 PRO 4 -1.116 3.389 5.393
20 H PHE 5 H PHE 5 -4.204 -1.208 5.368
21 HA PHE 5 HA PHE 5 -5.074 -1.917 2.868
22 2HB PHE 5 HB2 PHE 5 -7.342 -2.493 3.964
23 HD1 PHE 5 HD1 PHE 5 -6.131 -4.430 2.808
24 HD2 PHE 5 HD2 PHE 5 -5.313 -3.218 6.867
25 HE1 PHE 5 HE1 PHE 5 -5.200 -6.672 3.298
26 HE2 PHE 5 HE2 PHE 5 -4.287 -5.407 7.311
27 HZ PHE 5 HZ PHE 5 -4.270 -7.169 5.554
28 H GLY 6 H GLY 6 -6.715 0.588 4.830
29 1HA GLY 6 HA2 GLY 6 -8.393 1.489 2.585
30 2HA GLY 6 HA3 GLY 6 -8.257 2.210 4.195
31 H GLY 7 H GLY 7 -6.052 1.560 1.422
32 1HA GLY 7 HA2 GLY 7 -5.486 4.300 0.805
33 2HA GLY 7 HA3 GLY 7 -4.284 3.703 1.967
34 H CYS 8 H CYS 8 -4.084 1.022 1.112
35 HA CYS 8 HA CYS 8 -2.101 1.144 -0.836
36 2HB CYS 8 HB2 CYS 8 -3.828 -1.111 0.204
37 H HIS 9 H HIS 9 -1.971 0.946 -3.013
38 HA HIS 9 HA HIS 9 -4.225 0.155 -4.675
39 2HB HIS 9 HB2 HIS 9 -3.550 2.087 -6.238
40 HD1 HIS 9 HD1 HIS 9 -4.524 3.326 -2.679
41 HD2 HIS 9 HD2 HIS 9 -6.053 2.680 -6.551
42 HE1 HIS 9 HE1 HIS 9 -6.900 4.244 -2.692
43 H GLU 10 H GLU 10 -2.967 0.208 -7.043
44 HA GLU 10 HA GLU 10 -1.106 -1.815 -7.057
45 2HB GLU 10 HB2 GLU 10 -1.342 0.505 -9.040
46 2HG GLU 10 HG2 GLU 10 -0.513 -2.390 -9.511
47 H LEU 11 H LEU 11 -0.411 1.681 -6.773
48 HA LEU 11 HA LEU 11 2.367 1.554 -7.236
49 2HB LEU 11 HB2 LEU 11 2.202 3.779 -5.923
50 HG LEU 11 HG LEU 11 0.591 3.145 -8.407
51 1HD1 LEU 11 1HD1 LEU 11 0.240 5.585 -8.712
52 2HD1 LEU 11 2HD1 LEU 11 -0.593 4.989 -7.265
53 3HD1 LEU 11 3HD1 LEU 11 0.933 5.886 -7.103
54 1HD2 LEU 11 1HD2 LEU 11 2.324 4.531 -9.500
55 2HD2 LEU 11 2HD2 LEU 11 3.102 4.818 -7.931
56 3HD2 LEU 11 3HD2 LEU 11 3.065 3.185 -8.626
57 H CYS 12 H CYS 12 0.511 0.519 -4.470
58 HA CYS 12 HA CYS 12 2.572 1.236 -2.514
59 2HB CYS 12 HB2 CYS 12 0.118 -0.470 -2.068
60 H TYR 13 H TYR 13 4.355 0.079 -3.206
61 HA TYR 13 HA TYR 13 4.679 -2.378 -4.184
62 2HB TYR 13 HB2 TYR 13 6.570 -1.507 -1.974
63 HD1 TYR 13 HD1 TYR 13 7.428 -3.895 -2.199
64 HD2 TYR 13 HD2 TYR 13 7.318 -1.165 -5.535
65 HE1 TYR 13 HE1 TYR 13 8.994 -5.349 -3.439
66 HE2 TYR 13 HE2 TYR 13 8.902 -2.619 -6.771
67 HH TYR 13 HH TYR 13 10.165 -5.666 -5.402
68 H CYS 14 H CYS 14 4.459 -1.728 -0.708
69 HA CYS 14 HA CYS 14 4.786 -4.584 -0.004
70 2HB CYS 14 HB2 CYS 14 5.949 -3.002 1.311
71 H CYS 15 H CYS 15 2.383 -2.100 0.345
72 HA CYS 15 HA CYS 15 0.180 -1.950 0.751
73 2HB CYS 15 HB2 CYS 15 0.168 -4.703 -0.550
74 H ASP 16 H ASP 16 -0.490 -1.903 2.837
75 HA ASP 16 HA ASP 16 -0.375 -4.160 4.649
76 2HB ASP 16 HB2 ASP 16 -1.956 -1.615 4.527
Start of MODEL 20
1 1H VAL 1 H VAL 1 7.363 3.067 5.044
2 HA VAL 1 HA VAL 1 6.709 1.544 7.300
3 HB VAL 1 HB VAL 1 4.616 2.724 7.961
4 1HG1 VAL 1 1HG1 VAL 1 6.674 2.966 9.307
5 2HG1 VAL 1 2HG1 VAL 1 7.122 4.407 8.369
6 3HG1 VAL 1 3HG1 VAL 1 5.661 4.419 9.376
7 1HG2 VAL 1 1HG2 VAL 1 5.699 5.081 6.351
8 2HG2 VAL 1 2HG2 VAL 1 4.269 4.114 5.931
9 3HG2 VAL 1 3HG2 VAL 1 4.276 5.088 7.408
10 H CYS 2 H CYS 2 4.373 0.651 6.930
11 HA CYS 2 HA CYS 2 4.173 -0.054 4.091
12 2HB CYS 2 HB2 CYS 2 2.147 -0.913 6.147
13 H CYS 3 H CYS 3 1.733 -0.038 3.146
14 HA CYS 3 HA CYS 3 0.565 2.620 3.803
15 2HB CYS 3 HB2 CYS 3 1.363 2.420 1.494
16 HA PRO 4 HA PRO 4 -2.615 0.039 5.596
17 2HB PRO 4 HB2 PRO 4 -3.356 1.906 6.711
18 2HG PRO 4 HG2 PRO 4 -3.362 4.066 5.655
19 2HD PRO 4 HD2 PRO 4 -1.149 3.215 5.426
20 H PHE 5 H PHE 5 -4.735 -1.008 5.018
21 HA PHE 5 HA PHE 5 -5.441 -1.712 2.473
22 2HB PHE 5 HB2 PHE 5 -7.856 -1.603 3.146
23 HD1 PHE 5 HD2 PHE 5 -5.008 -3.371 3.942
24 HD2 PHE 5 HD1 PHE 5 -8.926 -2.528 5.553
25 HE1 PHE 5 HE2 PHE 5 -4.921 -5.441 5.251
26 HE2 PHE 5 HE1 PHE 5 -8.849 -4.653 6.821
27 HZ PHE 5 HZ PHE 5 -6.839 -6.114 6.679
28 H GLY 6 H GLY 6 -6.482 1.388 3.928
29 1HA GLY 6 HA2 GLY 6 -7.532 2.446 1.395
30 2HA GLY 6 HA3 GLY 6 -7.380 3.288 2.944
31 H GLY 7 H GLY 7 -5.165 1.696 0.646
32 1HA GLY 7 HA2 GLY 7 -3.619 3.986 -0.117
33 2HA GLY 7 HA3 GLY 7 -2.870 3.175 1.276
34 H CYS 8 H CYS 8 -3.615 0.491 0.690
35 HA CYS 8 HA CYS 8 -1.624 -0.260 -1.215
36 2HB CYS 8 HB2 CYS 8 -3.780 -1.911 0.133
37 H HIS 9 H HIS 9 -2.140 0.905 -3.070
38 HA HIS 9 HA HIS 9 -3.745 -0.804 -4.903
39 2HB HIS 9 HB2 HIS 9 -3.890 1.214 -6.382
40 HD1 HIS 9 HD1 HIS 9 -5.580 -0.133 -3.485
41 HD2 HIS 9 HD2 HIS 9 -5.804 3.407 -5.759
42 HE1 HIS 9 HE1 HIS 9 -7.898 0.859 -3.077
43 H GLU 10 H GLU 10 -2.562 -0.327 -7.186
44 HA GLU 10 HA GLU 10 -0.249 -1.758 -7.135
45 2HB GLU 10 HB2 GLU 10 -1.037 0.366 -9.191
46 2HG GLU 10 HG2 GLU 10 0.540 -2.222 -9.517
47 H LEU 11 H LEU 11 -0.427 1.760 -6.735
48 HA LEU 11 HA LEU 11 2.223 2.451 -7.318
49 2HB LEU 11 HB2 LEU 11 1.597 4.376 -5.721
50 HG LEU 11 HG LEU 11 -0.042 3.576 -8.137
51 1HD1 LEU 11 1HD1 LEU 11 -0.358 6.136 -6.505
52 2HD1 LEU 11 2HD1 LEU 11 -1.107 5.814 -8.084
53 3HD1 LEU 11 3HD1 LEU 11 -1.571 4.848 -6.673
54 1HD2 LEU 11 1HD2 LEU 11 1.093 5.513 -9.160
55 2HD2 LEU 11 2HD2 LEU 11 1.921 5.858 -7.629
56 3HD2 LEU 11 3HD2 LEU 11 2.280 4.367 -8.524
57 H CYS 12 H CYS 12 0.876 0.811 -4.509
58 HA CYS 12 HA CYS 12 3.191 1.502 -2.773
59 2HB CYS 12 HB2 CYS 12 0.503 0.237 -2.219
60 H TYR 13 H TYR 13 4.808 0.038 -2.555
61 HA TYR 13 HA TYR 13 4.675 -2.614 -3.613
62 2HB TYR 13 HB2 TYR 13 6.877 -2.427 -1.983
63 HD1 TYR 13 HD1 TYR 13 6.018 -0.248 -4.948
64 HD2 TYR 13 HD2 TYR 13 8.358 -3.544 -3.436
65 HE1 TYR 13 HE1 TYR 13 7.136 -0.462 -7.140
66 HE2 TYR 13 HE2 TYR 13 9.485 -3.744 -5.633
67 HH TYR 13 HH TYR 13 8.688 -1.622 -8.392
68 H CYS 14 H CYS 14 4.724 -1.274 -0.283
69 HA CYS 14 HA CYS 14 5.201 -3.811 0.905
70 2HB CYS 14 HB2 CYS 14 4.253 -1.196 2.120
71 H CYS 15 H CYS 15 2.240 -1.879 0.997
72 HA CYS 15 HA CYS 15 0.112 -2.274 1.233
73 2HB CYS 15 HB2 CYS 15 0.839 -4.994 0.092
74 H ASP 16 H ASP 16 -0.489 -2.169 3.294
75 HA ASP 16 HA ASP 16 -0.496 -4.099 5.345
76 2HB ASP 16 HB2 ASP 16 -2.418 -1.991 4.360