Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
565237 | 2lwq RC | 18641 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -9.336 1.721 -2.132
2 HA2 GLY 1 2HA GLY 1 -8.018 3.265 -3.427
3 HA3 GLY 1 3HA GLY 1 -7.547 4.052 -1.928
4 H CYS 2 H CYS 2 -5.925 2.922 -4.138
5 HA CYS 2 HA CYS 2 -4.195 1.246 -2.464
6 HB2 CYS 2 1HB CYS 2 -4.648 0.666 -5.388
7 HB3 CYS 2 2HB CYS 2 -3.805 -0.341 -4.198
8 H TRP 3 H TRP 3 -2.209 2.044 -2.377
9 HA TRP 3 HA TRP 3 -0.971 3.229 -4.709
10 HB2 TRP 3 1HB TRP 3 -0.426 5.352 -3.639
11 HB3 TRP 3 2HB TRP 3 -2.174 5.137 -3.725
12 HD1 TRP 3 HD TRP 3 0.570 5.768 -1.265
13 HE1 TRP 3 1HE TRP 3 -0.395 5.859 1.119
14 HE3 TRP 3 3HE TRP 3 -4.120 3.971 -2.220
15 HZ2 TRP 3 2HZ TRP 3 -2.824 5.248 2.423
16 HZ3 TRP 3 3HZ TRP 3 -5.703 3.755 -0.349
17 HH2 TRP 3 HH TRP 3 -5.066 4.380 1.923
18 HA PRO 4 HA PRO 4 2.652 1.492 -2.941
19 HB2 PRO 4 1HB PRO 4 4.582 3.130 -3.986
20 HB3 PRO 4 2HB PRO 4 3.694 1.942 -4.938
21 HG2 PRO 4 1HG PRO 4 3.206 4.886 -4.637
22 HG3 PRO 4 2HG PRO 4 3.214 3.878 -6.133
23 HD2 PRO 4 1HD PRO 4 0.922 4.665 -4.910
24 HD3 PRO 4 2HD PRO 4 1.076 3.110 -5.745
25 H VAL 5 H VAL 5 4.232 1.780 -1.332
26 HA VAL 5 HA VAL 5 4.304 4.384 0.016
27 HB VAL 5 HB VAL 5 4.230 3.140 2.229
28 HG11 VAL 5 1HG1 VAL 5 1.762 3.063 2.258
29 HG12 VAL 5 2HG1 VAL 5 2.389 4.525 1.494
30 HG13 VAL 5 3HG1 VAL 5 1.760 3.210 0.501
31 HG21 VAL 5 3HG2 VAL 5 4.549 0.891 1.073
32 HG22 VAL 5 1HG2 VAL 5 3.333 0.970 2.349
33 HG23 VAL 5 2HG2 VAL 5 2.839 0.990 0.656
34 HA PRO 6 HA PRO 6 8.629 3.647 0.279
35 HB2 PRO 6 1HB PRO 6 9.249 5.174 2.467
36 HB3 PRO 6 2HB PRO 6 8.829 5.851 0.895
37 HG2 PRO 6 1HG PRO 6 7.099 5.430 3.308
38 HG3 PRO 6 2HG PRO 6 7.226 6.872 2.235
39 HD2 PRO 6 1HD PRO 6 5.197 5.078 2.044
40 HD3 PRO 6 2HD PRO 6 5.862 5.924 0.637
41 H TYR 7 H TYR 7 7.253 1.464 1.253
42 HA TYR 7 HA TYR 7 9.081 0.189 2.874
43 HB2 TYR 7 1HB TYR 7 7.652 0.051 5.015
44 HB3 TYR 7 2HB TYR 7 8.620 1.503 4.756
45 HD1 TYR 7 2HD TYR 7 5.167 0.191 4.278
46 HD2 TYR 7 1HD TYR 7 7.633 3.613 4.828
47 HE1 TYR 7 2HE TYR 7 3.159 1.593 4.506
48 HE2 TYR 7 1HE TYR 7 5.633 5.025 5.059
49 HH TYR 7 HH TYR 7 3.371 4.967 5.433
50 HA PRO 8 HA PRO 8 6.612 -3.221 1.628
51 HB2 PRO 8 1HB PRO 8 7.403 -5.112 3.442
52 HB3 PRO 8 2HB PRO 8 8.423 -4.547 2.120
53 HG2 PRO 8 1HG PRO 8 8.385 -3.688 4.993
54 HG3 PRO 8 2HG PRO 8 9.794 -4.074 3.938
55 HD2 PRO 8 1HD PRO 8 9.033 -1.528 4.491
56 HD3 PRO 8 2HD PRO 8 9.737 -2.000 2.935
57 HA PRO 9 HA PRO 9 5.187 -4.562 1.134
58 HB2 PRO 9 1HB PRO 9 2.631 -4.071 0.280
59 HB3 PRO 9 2HB PRO 9 3.083 -5.480 1.240
60 HG2 PRO 9 1HG PRO 9 1.893 -2.875 2.131
61 HG3 PRO 9 2HG PRO 9 1.439 -4.557 2.602
62 HD2 PRO 9 1HD PRO 9 2.945 -2.949 4.186
63 HD3 PRO 9 2HD PRO 9 3.171 -4.705 4.115
64 H PHE 10 H PHE 10 5.954 -3.447 -0.552
65 HA PHE 10 HA PHE 10 6.138 -0.656 -0.565
66 HB2 PHE 10 1HB PHE 10 6.496 -2.678 -2.789
67 HB3 PHE 10 2HB PHE 10 6.879 -0.964 -2.962
68 HD1 PHE 10 1HD PHE 10 8.146 -0.275 -0.453
69 HD2 PHE 10 2HD PHE 10 8.518 -3.808 -2.797
70 HE1 PHE 10 1HE PHE 10 10.389 -0.655 0.484
71 HE2 PHE 10 2HE PHE 10 10.761 -4.196 -1.863
72 HZ PHE 10 HZ PHE 10 11.699 -2.619 -0.219
73 H PHE 11 H PHE 11 3.599 -2.718 -1.547
74 HA PHE 11 HA PHE 11 2.261 -0.460 -2.887
75 HB2 PHE 11 1HB PHE 11 0.888 -2.319 -4.026
76 HB3 PHE 11 2HB PHE 11 2.534 -2.041 -4.594
77 HD1 PHE 11 1HD PHE 11 4.309 -3.630 -4.168
78 HD2 PHE 11 2HD PHE 11 0.340 -4.347 -2.811
79 HE1 PHE 11 1HE PHE 11 4.876 -5.991 -3.770
80 HE2 PHE 11 2HE PHE 11 0.900 -6.709 -2.408
81 HZ PHE 11 HZ PHE 11 3.171 -7.533 -2.887
82 H ASP 12 H ASP 12 0.517 0.282 -1.886
83 HA ASP 12 HA ASP 12 -0.722 -1.382 0.194
84 HB2 ASP 12 1HB ASP 12 0.250 1.065 0.526
85 HB3 ASP 12 2HB ASP 12 -1.342 1.525 -0.092
86 H CYS 13 H CYS 13 -2.945 -1.678 0.286
87 HA CYS 13 HA CYS 13 -4.712 -0.492 -1.635
88 HB2 CYS 13 1HB CYS 13 -3.456 -2.335 -2.882
89 HB3 CYS 13 2HB CYS 13 -4.354 -3.476 -1.866
90 H LYS 14 H LYS 14 -6.594 -0.256 -0.639
91 HA LYS 14 HA LYS 14 -7.375 -2.249 1.386
92 HB2 LYS 14 1HB LYS 14 -6.631 0.062 2.228
93 HB3 LYS 14 2HB LYS 14 -8.145 0.658 1.527
94 HG2 LYS 14 1HG LYS 14 -9.294 -1.160 2.935
95 HG3 LYS 14 2HG LYS 14 -7.758 -1.231 3.818
96 HD2 LYS 14 1HD LYS 14 -9.356 1.302 3.387
97 HD3 LYS 14 2HD LYS 14 -9.444 0.293 4.843
98 HE2 LYS 14 1HE LYS 14 -6.694 0.934 4.139
99 HE3 LYS 14 2HE LYS 14 -7.679 2.385 4.376
100 HZ1 LYS 14 3HZ LYS 14 -6.718 1.739 6.455
101 HZ2 LYS 14 1HZ LYS 14 -7.316 0.163 6.311
102 HZ3 LYS 14 2HZ LYS 14 -8.384 1.456 6.534
103 HA PRO 15 HA PRO 15 -10.631 -1.976 -1.921
104 HB2 PRO 15 1HB PRO 15 -10.923 -4.684 -2.201
105 HB3 PRO 15 2HB PRO 15 -9.721 -3.741 -3.077
106 HG2 PRO 15 1HG PRO 15 -9.413 -5.347 -0.564
107 HG3 PRO 15 2HG PRO 15 -8.347 -5.289 -2.016
108 HD2 PRO 15 1HD PRO 15 -7.772 -3.957 0.278
109 HD3 PRO 15 2HD PRO 15 -7.348 -3.331 -1.324
110 H ASN 16 H ASN 16 -12.854 -2.572 -1.771
111 HA ASN 16 HA ASN 16 -13.733 -2.936 0.980
112 HB2 ASN 16 1HB ASN 16 -14.675 -1.119 -0.458
113 HB3 ASN 16 2HB ASN 16 -15.393 -2.367 -1.484
114 HD21 ASN 16 1HD2 ASN 16 -17.270 -3.289 -0.908
115 HD22 ASN 16 2HD2 ASN 16 -18.130 -2.932 0.547
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -9.515 2.191 -3.070
2 HA2 GLY 1 2HA GLY 1 -7.741 3.650 -3.222
3 HA3 GLY 1 3HA GLY 1 -7.731 3.726 -1.465
4 H CYS 2 H CYS 2 -5.936 2.897 -4.086
5 HA CYS 2 HA CYS 2 -4.187 1.205 -2.447
6 HB2 CYS 2 1HB CYS 2 -4.663 0.667 -5.374
7 HB3 CYS 2 2HB CYS 2 -3.809 -0.356 -4.206
8 H TRP 3 H TRP 3 -2.221 2.045 -2.342
9 HA TRP 3 HA TRP 3 -0.990 3.245 -4.675
10 HB2 TRP 3 1HB TRP 3 -0.448 5.360 -3.579
11 HB3 TRP 3 2HB TRP 3 -2.197 5.141 -3.679
12 HD1 TRP 3 HD TRP 3 0.530 5.765 -1.199
13 HE1 TRP 3 1HE TRP 3 -0.447 5.827 1.182
14 HE3 TRP 3 3HE TRP 3 -4.142 3.942 -2.192
15 HZ2 TRP 3 2HZ TRP 3 -2.876 5.187 2.468
16 HZ3 TRP 3 3HZ TRP 3 -5.732 3.698 -0.330
17 HH2 TRP 3 HH TRP 3 -5.111 4.307 1.951
18 HA PRO 4 HA PRO 4 2.646 1.513 -2.931
19 HB2 PRO 4 1HB PRO 4 4.564 3.171 -3.969
20 HB3 PRO 4 2HB PRO 4 3.681 1.984 -4.928
21 HG2 PRO 4 1HG PRO 4 3.177 4.924 -4.602
22 HG3 PRO 4 2HG PRO 4 3.187 3.928 -6.105
23 HD2 PRO 4 1HD PRO 4 0.894 4.694 -4.868
24 HD3 PRO 4 2HD PRO 4 1.053 3.146 -5.718
25 H VAL 5 H VAL 5 4.216 1.789 -1.317
26 HA VAL 5 HA VAL 5 4.285 4.384 0.050
27 HB VAL 5 HB VAL 5 4.219 3.124 2.252
28 HG11 VAL 5 1HG1 VAL 5 2.113 4.020 0.543
29 HG12 VAL 5 2HG1 VAL 5 1.544 2.648 1.497
30 HG13 VAL 5 3HG1 VAL 5 2.212 4.069 2.303
31 HG21 VAL 5 3HG2 VAL 5 4.549 0.885 1.086
32 HG22 VAL 5 1HG2 VAL 5 3.326 0.949 2.356
33 HG23 VAL 5 2HG2 VAL 5 2.840 0.978 0.661
34 HA PRO 6 HA PRO 6 8.613 3.662 0.300
35 HB2 PRO 6 1HB PRO 6 9.230 5.173 2.499
36 HB3 PRO 6 2HB PRO 6 8.805 5.862 0.933
37 HG2 PRO 6 1HG PRO 6 7.081 5.416 3.346
38 HG3 PRO 6 2HG PRO 6 7.201 6.866 2.284
39 HD2 PRO 6 1HD PRO 6 5.179 5.064 2.082
40 HD3 PRO 6 2HD PRO 6 5.838 5.926 0.680
41 H TYR 7 H TYR 7 7.248 1.466 1.259
42 HA TYR 7 HA TYR 7 9.083 0.185 2.867
43 HB2 TYR 7 1HB TYR 7 7.658 0.025 5.009
44 HB3 TYR 7 2HB TYR 7 8.620 1.483 4.759
45 HD1 TYR 7 1HD TYR 7 5.171 0.161 4.273
46 HD2 TYR 7 2HD TYR 7 7.625 3.588 4.851
47 HE1 TYR 7 1HE TYR 7 3.158 1.553 4.517
48 HE2 TYR 7 2HE TYR 7 5.619 4.990 5.097
49 HH TYR 7 HH TYR 7 2.398 3.586 5.206
50 HA PRO 8 HA PRO 8 6.624 -3.224 1.598
51 HB2 PRO 8 1HB PRO 8 7.425 -5.126 3.398
52 HB3 PRO 8 2HB PRO 8 8.440 -4.547 2.079
53 HG2 PRO 8 1HG PRO 8 8.402 -3.710 4.958
54 HG3 PRO 8 2HG PRO 8 9.812 -4.084 3.898
55 HD2 PRO 8 1HD PRO 8 9.043 -1.544 4.471
56 HD3 PRO 8 2HD PRO 8 9.746 -2.002 2.912
57 HA PRO 9 HA PRO 9 5.203 -4.566 1.095
58 HB2 PRO 9 1HB PRO 9 2.644 -4.076 0.248
59 HB3 PRO 9 2HB PRO 9 3.102 -5.491 1.197
60 HG2 PRO 9 1HG PRO 9 1.903 -2.897 2.110
61 HG3 PRO 9 2HG PRO 9 1.457 -4.584 2.567
62 HD2 PRO 9 1HD PRO 9 2.961 -2.984 4.162
63 HD3 PRO 9 2HD PRO 9 3.191 -4.738 4.078
64 H PHE 10 H PHE 10 5.965 -3.435 -0.583
65 HA PHE 10 HA PHE 10 6.139 -0.643 -0.575
66 HB2 PHE 10 1HB PHE 10 6.500 -2.647 -2.815
67 HB3 PHE 10 2HB PHE 10 6.879 -0.931 -2.974
68 HD1 PHE 10 2HD PHE 10 8.659 0.089 -1.554
69 HD2 PHE 10 1HD PHE 10 8.014 -4.114 -1.738
70 HE1 PHE 10 2HE PHE 10 10.905 -0.293 -0.625
71 HE2 PHE 10 1HE PHE 10 10.259 -4.503 -0.808
72 HZ PHE 10 HZ PHE 10 11.708 -2.591 -0.251
73 H PHE 11 H PHE 11 3.606 -2.705 -1.567
74 HA PHE 11 HA PHE 11 2.259 -0.441 -2.887
75 HB2 PHE 11 1HB PHE 11 0.890 -2.298 -4.038
76 HB3 PHE 11 2HB PHE 11 2.533 -2.002 -4.611
77 HD1 PHE 11 1HD PHE 11 0.377 -4.330 -2.793
78 HD2 PHE 11 2HD PHE 11 4.306 -3.594 -4.254
79 HE1 PHE 11 1HE PHE 11 0.957 -6.692 -2.416
80 HE2 PHE 11 2HE PHE 11 4.892 -5.954 -3.881
81 HZ PHE 11 HZ PHE 11 3.216 -7.507 -2.961
82 H ASP 12 H ASP 12 0.514 0.286 -1.877
83 HA ASP 12 HA ASP 12 -0.716 -1.400 0.191
84 HB2 ASP 12 1HB ASP 12 0.241 1.051 0.536
85 HB3 ASP 12 2HB ASP 12 -1.354 1.504 -0.076
86 H CYS 13 H CYS 13 -2.929 -1.729 0.273
87 HA CYS 13 HA CYS 13 -4.715 -0.533 -1.625
88 HB2 CYS 13 1HB CYS 13 -3.441 -2.334 -2.908
89 HB3 CYS 13 2HB CYS 13 -4.313 -3.507 -1.908
90 H LYS 14 H LYS 14 -6.595 -0.337 -0.621
91 HA LYS 14 HA LYS 14 -7.742 -2.498 0.894
92 HB2 LYS 14 1HB LYS 14 -6.196 -1.435 2.529
93 HB3 LYS 14 2HB LYS 14 -7.088 0.081 2.330
94 HG2 LYS 14 1HG LYS 14 -9.068 -0.855 3.274
95 HG3 LYS 14 2HG LYS 14 -8.355 -2.478 3.273
96 HD2 LYS 14 1HD LYS 14 -8.156 -1.761 5.500
97 HD3 LYS 14 2HD LYS 14 -6.550 -1.501 4.799
98 HE2 LYS 14 1HE LYS 14 -7.533 0.895 4.259
99 HE3 LYS 14 2HE LYS 14 -8.619 0.489 5.596
100 HZ1 LYS 14 3HZ LYS 14 -7.005 1.205 6.921
101 HZ2 LYS 14 1HZ LYS 14 -5.865 1.241 5.671
102 HZ3 LYS 14 2HZ LYS 14 -6.144 -0.195 6.519
103 HA PRO 15 HA PRO 15 -10.702 0.370 -1.254
104 HB2 PRO 15 1HB PRO 15 -12.064 -1.619 -2.556
105 HB3 PRO 15 2HB PRO 15 -10.607 -0.858 -3.194
106 HG2 PRO 15 1HG PRO 15 -10.904 -3.434 -1.689
107 HG3 PRO 15 2HG PRO 15 -9.942 -3.086 -3.172
108 HD2 PRO 15 1HD PRO 15 -8.822 -3.250 -0.706
109 HD3 PRO 15 2HD PRO 15 -8.224 -2.147 -1.956
110 H ASN 16 H ASN 16 -12.729 0.851 -0.540
111 HA ASN 16 HA ASN 16 -14.302 -1.116 0.896
112 HB2 ASN 16 1HB ASN 16 -12.595 0.168 2.462
113 HB3 ASN 16 2HB ASN 16 -13.820 1.441 2.369
114 HD21 ASN 16 1HD2 ASN 16 -12.829 -1.112 4.137
115 HD22 ASN 16 2HD2 ASN 16 -14.313 -1.531 4.917
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -6.708 4.668 -2.100
2 HA2 GLY 1 2HA GLY 1 -8.542 2.551 -1.617
3 HA3 GLY 1 3HA GLY 1 -8.310 2.778 -3.344
4 H CYS 2 H CYS 2 -6.032 2.754 -4.114
5 HA CYS 2 HA CYS 2 -4.268 1.133 -2.420
6 HB2 CYS 2 1HB CYS 2 -4.687 0.535 -5.346
7 HB3 CYS 2 2HB CYS 2 -3.829 -0.448 -4.146
8 H TRP 3 H TRP 3 -2.276 1.928 -2.352
9 HA TRP 3 HA TRP 3 -1.070 3.163 -4.672
10 HB2 TRP 3 1HB TRP 3 -0.565 5.290 -3.598
11 HB3 TRP 3 2HB TRP 3 -2.311 5.040 -3.664
12 HD1 TRP 3 HD TRP 3 0.453 5.709 -1.233
13 HE1 TRP 3 1HE TRP 3 -0.486 5.771 1.162
14 HE3 TRP 3 3HE TRP 3 -4.216 3.835 -2.143
15 HZ2 TRP 3 2HZ TRP 3 -2.888 5.111 2.491
16 HZ3 TRP 3 3HZ TRP 3 -5.773 3.582 -0.254
17 HH2 TRP 3 HH TRP 3 -5.121 4.207 2.014
18 HA PRO 4 HA PRO 4 2.587 1.479 -2.919
19 HB2 PRO 4 1HB PRO 4 4.485 3.155 -3.960
20 HB3 PRO 4 2HB PRO 4 3.617 1.958 -4.917
21 HG2 PRO 4 1HG PRO 4 3.077 4.890 -4.597
22 HG3 PRO 4 2HG PRO 4 3.100 3.893 -6.099
23 HD2 PRO 4 1HD PRO 4 0.798 4.633 -4.869
24 HD3 PRO 4 2HD PRO 4 0.976 3.085 -5.712
25 H VAL 5 H VAL 5 4.149 1.777 -1.303
26 HA VAL 5 HA VAL 5 4.177 4.376 0.060
27 HB VAL 5 HB VAL 5 4.142 3.112 2.262
28 HG11 VAL 5 1HG1 VAL 5 1.756 3.370 0.464
29 HG12 VAL 5 2HG1 VAL 5 1.594 2.806 2.128
30 HG13 VAL 5 3HG1 VAL 5 2.257 4.407 1.800
31 HG21 VAL 5 3HG2 VAL 5 2.799 0.943 0.672
32 HG22 VAL 5 1HG2 VAL 5 4.509 0.883 1.094
33 HG23 VAL 5 2HG2 VAL 5 3.289 0.919 2.366
34 HA PRO 6 HA PRO 6 8.519 3.737 0.302
35 HB2 PRO 6 1HB PRO 6 9.111 5.255 2.503
36 HB3 PRO 6 2HB PRO 6 8.670 5.939 0.941
37 HG2 PRO 6 1HG PRO 6 6.958 5.451 3.356
38 HG3 PRO 6 2HG PRO 6 7.049 6.908 2.297
39 HD2 PRO 6 1HD PRO 6 5.061 5.068 2.094
40 HD3 PRO 6 2HD PRO 6 5.700 5.945 0.694
41 H TYR 7 H TYR 7 7.197 1.513 1.258
42 HA TYR 7 HA TYR 7 9.060 0.263 2.859
43 HB2 TYR 7 1HB TYR 7 7.643 0.071 5.005
44 HB3 TYR 7 2HB TYR 7 8.578 1.546 4.755
45 HD1 TYR 7 1HD TYR 7 5.153 0.163 4.273
46 HD2 TYR 7 2HD TYR 7 7.545 3.633 4.856
47 HE1 TYR 7 1HE TYR 7 3.115 1.518 4.525
48 HE2 TYR 7 2HE TYR 7 5.514 4.997 5.111
49 HH TYR 7 HH TYR 7 2.356 3.738 4.425
50 HA PRO 8 HA PRO 8 6.663 -3.190 1.589
51 HB2 PRO 8 1HB PRO 8 7.501 -5.080 3.386
52 HB3 PRO 8 2HB PRO 8 8.504 -4.480 2.066
53 HG2 PRO 8 1HG PRO 8 8.453 -3.647 4.946
54 HG3 PRO 8 2HG PRO 8 9.870 -3.995 3.885
55 HD2 PRO 8 1HD PRO 8 9.054 -1.471 4.463
56 HD3 PRO 8 2HD PRO 8 9.764 -1.912 2.901
57 HA PRO 9 HA PRO 9 5.267 -4.556 1.085
58 HB2 PRO 9 1HB PRO 9 2.697 -4.111 0.243
59 HB3 PRO 9 2HB PRO 9 3.184 -5.520 1.187
60 HG2 PRO 9 1HG PRO 9 1.938 -2.952 2.107
61 HG3 PRO 9 2HG PRO 9 1.523 -4.647 2.562
62 HD2 PRO 9 1HD PRO 9 2.999 -3.020 4.157
63 HD3 PRO 9 2HD PRO 9 3.262 -4.771 4.069
64 H PHE 10 H PHE 10 6.005 -3.409 -0.591
65 HA PHE 10 HA PHE 10 6.129 -0.615 -0.579
66 HB2 PHE 10 1HB PHE 10 6.524 -2.607 -2.821
67 HB3 PHE 10 2HB PHE 10 6.870 -0.885 -2.980
68 HD1 PHE 10 1HD PHE 10 8.652 0.167 -1.613
69 HD2 PHE 10 2HD PHE 10 8.048 -4.045 -1.697
70 HE1 PHE 10 1HE PHE 10 10.906 -0.170 -0.688
71 HE2 PHE 10 2HE PHE 10 10.302 -4.389 -0.771
72 HZ PHE 10 HZ PHE 10 11.733 -2.452 -0.264
73 H PHE 11 H PHE 11 3.633 -2.722 -1.573
74 HA PHE 11 HA PHE 11 2.244 -0.482 -2.892
75 HB2 PHE 11 1HB PHE 11 0.903 -2.371 -4.032
76 HB3 PHE 11 2HB PHE 11 2.536 -2.039 -4.615
77 HD1 PHE 11 1HD PHE 11 0.453 -4.405 -2.752
78 HD2 PHE 11 2HD PHE 11 4.337 -3.598 -4.296
79 HE1 PHE 11 1HE PHE 11 1.087 -6.752 -2.376
80 HE2 PHE 11 2HE PHE 11 4.976 -5.943 -3.923
81 HZ PHE 11 HZ PHE 11 3.350 -7.525 -2.962
82 H ASP 12 H ASP 12 0.502 0.225 -1.865
83 HA ASP 12 HA ASP 12 -0.702 -1.482 0.200
84 HB2 ASP 12 1HB ASP 12 0.228 0.978 0.550
85 HB3 ASP 12 2HB ASP 12 -1.375 1.416 -0.056
86 H CYS 13 H CYS 13 -2.930 -1.792 0.311
87 HA CYS 13 HA CYS 13 -4.715 -0.631 -1.608
88 HB2 CYS 13 1HB CYS 13 -3.443 -2.464 -2.853
89 HB3 CYS 13 2HB CYS 13 -4.326 -3.612 -1.832
90 H LYS 14 H LYS 14 -6.595 -0.412 -0.607
91 HA LYS 14 HA LYS 14 -7.342 -2.400 1.437
92 HB2 LYS 14 1HB LYS 14 -6.649 -0.111 2.299
93 HB3 LYS 14 2HB LYS 14 -8.107 0.517 1.517
94 HG2 LYS 14 1HG LYS 14 -9.142 0.114 3.447
95 HG3 LYS 14 2HG LYS 14 -9.071 -1.595 2.981
96 HD2 LYS 14 1HD LYS 14 -7.212 -2.028 4.319
97 HD3 LYS 14 2HD LYS 14 -6.764 -0.315 4.402
98 HE2 LYS 14 1HE LYS 14 -7.645 -0.820 6.531
99 HE3 LYS 14 2HE LYS 14 -8.931 0.044 5.678
100 HZ1 LYS 14 3HZ LYS 14 -9.915 -1.811 6.733
101 HZ2 LYS 14 1HZ LYS 14 -8.737 -2.876 6.150
102 HZ3 LYS 14 2HZ LYS 14 -9.855 -2.186 5.084
103 HA PRO 15 HA PRO 15 -10.603 -2.239 -1.872
104 HB2 PRO 15 1HB PRO 15 -10.841 -4.956 -2.113
105 HB3 PRO 15 2HB PRO 15 -9.657 -4.001 -3.004
106 HG2 PRO 15 1HG PRO 15 -9.319 -5.566 -0.468
107 HG3 PRO 15 2HG PRO 15 -8.253 -5.506 -1.922
108 HD2 PRO 15 1HD PRO 15 -7.705 -4.131 0.354
109 HD3 PRO 15 2HD PRO 15 -7.293 -3.519 -1.257
110 H ASN 16 H ASN 16 -12.811 -2.766 -1.675
111 HA ASN 16 HA ASN 16 -14.776 -3.064 -0.570
112 HB2 ASN 16 1HB ASN 16 -13.630 -5.415 -0.410
113 HB3 ASN 16 2HB ASN 16 -13.450 -5.000 1.299
114 HD21 ASN 16 1HD2 ASN 16 -15.298 -4.708 2.578
115 HD22 ASN 16 2HD2 ASN 16 -16.830 -5.354 2.108
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -8.471 2.177 -4.045
2 HA2 GLY 1 2HA GLY 1 -7.590 4.113 -2.029
3 HA3 GLY 1 3HA GLY 1 -8.518 2.724 -1.483
4 H CYS 2 H CYS 2 -6.034 2.890 -4.006
5 HA CYS 2 HA CYS 2 -4.271 1.254 -2.323
6 HB2 CYS 2 1HB CYS 2 -4.716 0.666 -5.246
7 HB3 CYS 2 2HB CYS 2 -3.865 -0.330 -4.052
8 H TRP 3 H TRP 3 -2.257 2.000 -2.283
9 HA TRP 3 HA TRP 3 -1.061 3.235 -4.605
10 HB2 TRP 3 1HB TRP 3 -0.521 5.353 -3.533
11 HB3 TRP 3 2HB TRP 3 -2.270 5.124 -3.575
12 HD1 TRP 3 HD TRP 3 0.539 5.751 -1.184
13 HE1 TRP 3 1HE TRP 3 -0.364 5.819 1.226
14 HE3 TRP 3 3HE TRP 3 -4.168 3.943 -2.028
15 HZ2 TRP 3 2HZ TRP 3 -2.755 5.189 2.588
16 HZ3 TRP 3 3HZ TRP 3 -5.701 3.706 -0.118
17 HH2 TRP 3 HH TRP 3 -5.006 4.316 2.142
18 HA PRO 4 HA PRO 4 2.588 1.497 -2.891
19 HB2 PRO 4 1HB PRO 4 4.500 3.152 -3.943
20 HB3 PRO 4 2HB PRO 4 3.607 1.969 -4.896
21 HG2 PRO 4 1HG PRO 4 3.110 4.908 -4.563
22 HG3 PRO 4 2HG PRO 4 3.106 3.915 -6.067
23 HD2 PRO 4 1HD PRO 4 0.825 4.681 -4.812
24 HD3 PRO 4 2HD PRO 4 0.975 3.135 -5.664
25 H VAL 5 H VAL 5 4.201 1.784 -1.309
26 HA VAL 5 HA VAL 5 4.265 4.372 0.069
27 HB VAL 5 HB VAL 5 4.238 3.102 2.268
28 HG11 VAL 5 1HG1 VAL 5 2.372 4.452 1.734
29 HG12 VAL 5 2HG1 VAL 5 1.796 3.306 0.522
30 HG13 VAL 5 3HG1 VAL 5 1.718 2.893 2.236
31 HG21 VAL 5 3HG2 VAL 5 4.560 0.870 1.084
32 HG22 VAL 5 1HG2 VAL 5 3.360 0.923 2.375
33 HG23 VAL 5 2HG2 VAL 5 2.843 0.957 0.689
34 HA PRO 6 HA PRO 6 8.601 3.675 0.260
35 HB2 PRO 6 1HB PRO 6 9.238 5.181 2.456
36 HB3 PRO 6 2HB PRO 6 8.788 5.874 0.899
37 HG2 PRO 6 1HG PRO 6 7.099 5.407 3.333
38 HG3 PRO 6 2HG PRO 6 7.195 6.863 2.274
39 HD2 PRO 6 1HD PRO 6 5.182 5.051 2.092
40 HD3 PRO 6 2HD PRO 6 5.817 5.921 0.686
41 H TYR 7 H TYR 7 7.258 1.468 1.229
42 HA TYR 7 HA TYR 7 9.123 0.192 2.808
43 HB2 TYR 7 1HB TYR 7 7.725 0.015 4.969
44 HB3 TYR 7 2HB TYR 7 8.678 1.479 4.712
45 HD1 TYR 7 2HD TYR 7 5.229 0.141 4.271
46 HD2 TYR 7 1HD TYR 7 7.674 3.579 4.820
47 HE1 TYR 7 2HE TYR 7 3.214 1.524 4.545
48 HE2 TYR 7 1HE TYR 7 5.665 4.971 5.097
49 HH TYR 7 HH TYR 7 2.477 3.741 4.466
50 HA PRO 8 HA PRO 8 6.668 -3.227 1.557
51 HB2 PRO 8 1HB PRO 8 7.504 -5.132 3.339
52 HB3 PRO 8 2HB PRO 8 8.499 -4.540 2.009
53 HG2 PRO 8 1HG PRO 8 8.494 -3.716 4.892
54 HG3 PRO 8 2HG PRO 8 9.892 -4.077 3.812
55 HD2 PRO 8 1HD PRO 8 9.114 -1.544 4.406
56 HD3 PRO 8 2HD PRO 8 9.800 -1.991 2.835
57 HA PRO 9 HA PRO 9 5.249 -4.576 1.068
58 HB2 PRO 9 1HB PRO 9 2.676 -4.099 0.258
59 HB3 PRO 9 2HB PRO 9 3.156 -5.515 1.193
60 HG2 PRO 9 1HG PRO 9 1.954 -2.932 2.132
61 HG3 PRO 9 2HG PRO 9 1.523 -4.624 2.589
62 HD2 PRO 9 1HD PRO 9 3.038 -3.020 4.170
63 HD3 PRO 9 2HD PRO 9 3.278 -4.773 4.076
64 H PHE 10 H PHE 10 5.981 -3.435 -0.616
65 HA PHE 10 HA PHE 10 6.139 -0.641 -0.599
66 HB2 PHE 10 1HB PHE 10 6.484 -2.634 -2.851
67 HB3 PHE 10 2HB PHE 10 6.848 -0.914 -3.009
68 HD1 PHE 10 2HD PHE 10 8.399 0.028 -1.039
69 HD2 PHE 10 1HD PHE 10 8.261 -4.013 -2.369
70 HE1 PHE 10 2HE PHE 10 10.659 -0.342 -0.140
71 HE2 PHE 10 1HE PHE 10 10.520 -4.390 -1.471
72 HZ PHE 10 HZ PHE 10 11.723 -2.552 -0.355
73 H PHE 11 H PHE 11 3.606 -2.717 -1.568
74 HA PHE 11 HA PHE 11 2.229 -0.458 -2.867
75 HB2 PHE 11 1HB PHE 11 0.850 -2.329 -3.992
76 HB3 PHE 11 2HB PHE 11 2.481 -2.019 -4.593
77 HD1 PHE 11 1HD PHE 11 0.370 -4.365 -2.750
78 HD2 PHE 11 2HD PHE 11 4.277 -3.594 -4.251
79 HE1 PHE 11 1HE PHE 11 0.973 -6.721 -2.381
80 HE2 PHE 11 2HE PHE 11 4.886 -5.949 -3.885
81 HZ PHE 11 HZ PHE 11 3.234 -7.517 -2.949
82 H ASP 12 H ASP 12 0.502 0.267 -1.828
83 HA ASP 12 HA ASP 12 -0.702 -1.429 0.248
84 HB2 ASP 12 1HB ASP 12 0.276 1.013 0.604
85 HB3 ASP 12 2HB ASP 12 -1.326 1.482 0.019
86 H CYS 13 H CYS 13 -2.925 -1.720 0.375
87 HA CYS 13 HA CYS 13 -4.719 -0.506 -1.506
88 HB2 CYS 13 1HB CYS 13 -3.496 -2.326 -2.802
89 HB3 CYS 13 2HB CYS 13 -4.354 -3.488 -1.776
90 H LYS 14 H LYS 14 -6.583 -0.276 -0.476
91 HA LYS 14 HA LYS 14 -7.291 -2.240 1.604
92 HB2 LYS 14 1HB LYS 14 -6.706 0.258 2.194
93 HB3 LYS 14 2HB LYS 14 -8.361 0.555 1.637
94 HG2 LYS 14 1HG LYS 14 -9.317 -0.632 3.368
95 HG3 LYS 14 2HG LYS 14 -7.849 -1.583 3.654
96 HD2 LYS 14 1HD LYS 14 -7.779 1.381 4.084
97 HD3 LYS 14 2HD LYS 14 -8.524 0.334 5.305
98 HE2 LYS 14 1HE LYS 14 -5.836 -0.430 4.258
99 HE3 LYS 14 2HE LYS 14 -5.946 0.941 5.371
100 HZ1 LYS 14 3HZ LYS 14 -6.319 -1.881 5.886
101 HZ2 LYS 14 1HZ LYS 14 -7.459 -0.873 6.625
102 HZ3 LYS 14 2HZ LYS 14 -5.809 -0.647 6.925
103 HA PRO 15 HA PRO 15 -10.543 -2.360 -1.712
104 HB2 PRO 15 1HB PRO 15 -10.681 -5.093 -1.819
105 HB3 PRO 15 2HB PRO 15 -9.528 -4.139 -2.753
106 HG2 PRO 15 1HG PRO 15 -9.142 -5.566 -0.144
107 HG3 PRO 15 2HG PRO 15 -8.074 -5.537 -1.596
108 HD2 PRO 15 1HD PRO 15 -7.588 -4.032 0.612
109 HD3 PRO 15 2HD PRO 15 -7.192 -3.485 -1.027
110 H ASN 16 H ASN 16 -12.731 -2.939 -1.489
111 HA ASN 16 HA ASN 16 -13.654 -3.068 1.225
112 HB2 ASN 16 1HB ASN 16 -14.720 -1.781 -0.732
113 HB3 ASN 16 2HB ASN 16 -15.389 -3.342 -1.223
114 HD21 ASN 16 1HD2 ASN 16 -17.501 -2.741 -0.875
115 HD22 ASN 16 2HD2 ASN 16 -18.159 -2.510 0.706
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -7.348 4.185 -1.112
2 HA2 GLY 1 2HA GLY 1 -8.750 2.348 -2.496
3 HA3 GLY 1 3HA GLY 1 -7.990 3.270 -3.785
4 H CYS 2 H CYS 2 -5.998 2.716 -4.401
5 HA CYS 2 HA CYS 2 -4.328 1.164 -2.550
6 HB2 CYS 2 1HB CYS 2 -4.575 0.451 -5.468
7 HB3 CYS 2 2HB CYS 2 -3.820 -0.494 -4.172
8 H TRP 3 H TRP 3 -2.388 2.049 -2.362
9 HA TRP 3 HA TRP 3 -1.072 3.206 -4.686
10 HB2 TRP 3 1HB TRP 3 -0.597 5.328 -3.640
11 HB3 TRP 3 2HB TRP 3 -2.342 5.072 -3.633
12 HD1 TRP 3 HD TRP 3 0.536 5.712 -1.319
13 HE1 TRP 3 1HE TRP 3 -0.305 5.791 1.113
14 HE3 TRP 3 3HE TRP 3 -4.198 3.921 -2.037
15 HZ2 TRP 3 2HZ TRP 3 -2.662 5.174 2.538
16 HZ3 TRP 3 3HZ TRP 3 -5.683 3.695 -0.088
17 HH2 TRP 3 HH TRP 3 -4.928 4.309 2.152
18 HA PRO 4 HA PRO 4 2.518 1.452 -2.867
19 HB2 PRO 4 1HB PRO 4 4.465 3.107 -3.855
20 HB3 PRO 4 2HB PRO 4 3.598 1.927 -4.838
21 HG2 PRO 4 1HG PRO 4 3.097 4.867 -4.512
22 HG3 PRO 4 2HG PRO 4 3.138 3.877 -6.019
23 HD2 PRO 4 1HD PRO 4 0.819 4.645 -4.834
24 HD3 PRO 4 2HD PRO 4 0.993 3.101 -5.683
25 H VAL 5 H VAL 5 4.165 1.776 -1.290
26 HA VAL 5 HA VAL 5 4.133 4.342 0.128
27 HB VAL 5 HB VAL 5 4.115 3.045 2.311
28 HG11 VAL 5 1HG1 VAL 5 1.651 3.101 0.575
29 HG12 VAL 5 2HG1 VAL 5 1.638 2.844 2.322
30 HG13 VAL 5 3HG1 VAL 5 2.221 4.370 1.658
31 HG21 VAL 5 3HG2 VAL 5 4.516 0.836 1.111
32 HG22 VAL 5 1HG2 VAL 5 3.293 0.841 2.381
33 HG23 VAL 5 2HG2 VAL 5 2.805 0.880 0.687
34 HA PRO 6 HA PRO 6 8.484 3.761 0.359
35 HB2 PRO 6 1HB PRO 6 9.056 5.257 2.580
36 HB3 PRO 6 2HB PRO 6 8.603 5.956 1.027
37 HG2 PRO 6 1HG PRO 6 6.900 5.411 3.436
38 HG3 PRO 6 2HG PRO 6 6.969 6.883 2.398
39 HD2 PRO 6 1HD PRO 6 5.009 5.019 2.170
40 HD3 PRO 6 2HD PRO 6 5.634 5.923 0.782
41 H TYR 7 H TYR 7 7.194 1.505 1.284
42 HA TYR 7 HA TYR 7 9.075 0.261 2.868
43 HB2 TYR 7 1HB TYR 7 7.660 0.018 5.010
44 HB3 TYR 7 2HB TYR 7 8.574 1.510 4.781
45 HD1 TYR 7 1HD TYR 7 5.169 0.083 4.281
46 HD2 TYR 7 2HD TYR 7 7.510 3.580 4.909
47 HE1 TYR 7 1HE TYR 7 3.112 1.404 4.552
48 HE2 TYR 7 2HE TYR 7 5.459 4.910 5.182
49 HH TYR 7 HH TYR 7 3.036 4.436 5.879
50 HA PRO 8 HA PRO 8 6.727 -3.204 1.539
51 HB2 PRO 8 1HB PRO 8 7.613 -5.115 3.289
52 HB3 PRO 8 2HB PRO 8 8.594 -4.471 1.975
53 HG2 PRO 8 1HG PRO 8 8.554 -3.696 4.873
54 HG3 PRO 8 2HG PRO 8 9.965 -3.998 3.792
55 HD2 PRO 8 1HD PRO 8 9.112 -1.499 4.426
56 HD3 PRO 8 2HD PRO 8 9.816 -1.899 2.851
57 HA PRO 9 HA PRO 9 5.353 -4.589 1.020
58 HB2 PRO 9 1HB PRO 9 2.770 -4.178 0.207
59 HB3 PRO 9 2HB PRO 9 3.288 -5.594 1.121
60 HG2 PRO 9 1HG PRO 9 2.002 -3.065 2.096
61 HG3 PRO 9 2HG PRO 9 1.624 -4.776 2.524
62 HD2 PRO 9 1HD PRO 9 3.082 -3.151 4.137
63 HD3 PRO 9 2HD PRO 9 3.376 -4.894 4.016
64 H PHE 10 H PHE 10 6.054 -3.400 -0.643
65 HA PHE 10 HA PHE 10 6.126 -0.603 -0.580
66 HB2 PHE 10 1HB PHE 10 6.539 -2.547 -2.862
67 HB3 PHE 10 2HB PHE 10 6.855 -0.816 -2.990
68 HD1 PHE 10 2HD PHE 10 8.327 0.105 -0.904
69 HD2 PHE 10 1HD PHE 10 8.399 -3.845 -2.490
70 HE1 PHE 10 2HE PHE 10 10.592 -0.213 -0.000
71 HE2 PHE 10 1HE PHE 10 10.665 -4.169 -1.588
72 HZ PHE 10 HZ PHE 10 11.765 -2.351 -0.342
73 H PHE 11 H PHE 11 3.664 -2.740 -1.595
74 HA PHE 11 HA PHE 11 2.239 -0.516 -2.904
75 HB2 PHE 11 1HB PHE 11 0.878 -2.425 -3.980
76 HB3 PHE 11 2HB PHE 11 2.504 -2.116 -4.594
77 HD1 PHE 11 2HD PHE 11 4.337 -3.648 -4.155
78 HD2 PHE 11 1HD PHE 11 0.399 -4.454 -2.754
79 HE1 PHE 11 2HE PHE 11 4.968 -5.988 -3.735
80 HE2 PHE 11 1HE PHE 11 1.025 -6.795 -2.330
81 HZ PHE 11 HZ PHE 11 3.312 -7.566 -2.823
82 H ASP 12 H ASP 12 0.515 0.214 -1.863
83 HA ASP 12 HA ASP 12 -0.684 -1.473 0.226
84 HB2 ASP 12 1HB ASP 12 0.338 0.948 0.602
85 HB3 ASP 12 2HB ASP 12 -1.260 1.450 0.034
86 H CYS 13 H CYS 13 -2.900 -1.763 0.342
87 HA CYS 13 HA CYS 13 -4.698 -0.481 -1.486
88 HB2 CYS 13 1HB CYS 13 -3.554 -2.198 -2.908
89 HB3 CYS 13 2HB CYS 13 -4.251 -3.446 -1.861
90 H LYS 14 H LYS 14 -6.556 -0.276 -0.440
91 HA LYS 14 HA LYS 14 -7.227 -2.260 1.632
92 HB2 LYS 14 1HB LYS 14 -6.750 0.268 2.179
93 HB3 LYS 14 2HB LYS 14 -8.409 0.488 1.602
94 HG2 LYS 14 1HG LYS 14 -9.329 -0.763 3.331
95 HG3 LYS 14 2HG LYS 14 -7.785 -1.559 3.692
96 HD2 LYS 14 1HD LYS 14 -6.872 0.467 4.618
97 HD3 LYS 14 2HD LYS 14 -8.300 1.384 4.104
98 HE2 LYS 14 1HE LYS 14 -9.143 -0.859 5.684
99 HE3 LYS 14 2HE LYS 14 -7.886 0.036 6.549
100 HZ1 LYS 14 3HZ LYS 14 -9.149 1.995 6.488
101 HZ2 LYS 14 1HZ LYS 14 -10.253 0.784 6.907
102 HZ3 LYS 14 2HZ LYS 14 -10.219 1.388 5.328
103 HA PRO 15 HA PRO 15 -10.444 -2.591 -1.699
104 HB2 PRO 15 1HB PRO 15 -10.481 -5.329 -1.730
105 HB3 PRO 15 2HB PRO 15 -9.356 -4.361 -2.680
106 HG2 PRO 15 1HG PRO 15 -8.945 -5.696 -0.025
107 HG3 PRO 15 2HG PRO 15 -7.863 -5.670 -1.468
108 HD2 PRO 15 1HD PRO 15 -7.453 -4.087 0.698
109 HD3 PRO 15 2HD PRO 15 -7.062 -3.572 -0.951
110 H ASN 16 H ASN 16 -12.612 -3.270 -1.487
111 HA ASN 16 HA ASN 16 -13.571 -3.316 1.214
112 HB2 ASN 16 1HB ASN 16 -14.828 -2.099 -0.455
113 HB3 ASN 16 2HB ASN 16 -15.005 -3.557 -1.439
114 HD21 ASN 16 1HD2 ASN 16 -16.138 -1.819 1.312
115 HD22 ASN 16 2HD2 ASN 16 -17.491 -2.834 1.664
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.408 2.738 -0.820
2 HA2 GLY 1 2HA GLY 1 -8.377 2.743 -3.723
3 HA3 GLY 1 3HA GLY 1 -7.582 4.116 -2.967
4 H CYS 2 H CYS 2 -5.945 2.796 -4.464
5 HA CYS 2 HA CYS 2 -4.308 1.245 -2.585
6 HB2 CYS 2 1HB CYS 2 -4.536 0.511 -5.498
7 HB3 CYS 2 2HB CYS 2 -3.801 -0.431 -4.189
8 H TRP 3 H TRP 3 -2.362 2.115 -2.386
9 HA TRP 3 HA TRP 3 -1.016 3.244 -4.707
10 HB2 TRP 3 1HB TRP 3 -0.530 5.366 -3.678
11 HB3 TRP 3 2HB TRP 3 -2.277 5.123 -3.654
12 HD1 TRP 3 HD TRP 3 0.630 5.740 -1.365
13 HE1 TRP 3 1HE TRP 3 -0.190 5.839 1.073
14 HE3 TRP 3 3HE TRP 3 -4.133 4.009 -2.039
15 HZ2 TRP 3 2HZ TRP 3 -2.544 5.261 2.519
16 HZ3 TRP 3 3HZ TRP 3 -5.605 3.811 -0.077
17 HH2 TRP 3 HH TRP 3 -4.825 4.425 2.154
18 HA PRO 4 HA PRO 4 2.543 1.451 -2.865
19 HB2 PRO 4 1HB PRO 4 4.514 3.078 -3.848
20 HB3 PRO 4 2HB PRO 4 3.638 1.905 -4.832
21 HG2 PRO 4 1HG PRO 4 3.171 4.851 -4.520
22 HG3 PRO 4 2HG PRO 4 3.207 3.857 -6.022
23 HD2 PRO 4 1HD PRO 4 0.893 4.658 -4.849
24 HD3 PRO 4 2HD PRO 4 1.052 3.108 -5.694
25 H VAL 5 H VAL 5 4.195 1.765 -1.288
26 HA VAL 5 HA VAL 5 4.177 4.333 0.127
27 HB VAL 5 HB VAL 5 4.149 3.038 2.312
28 HG11 VAL 5 1HG1 VAL 5 2.258 4.337 1.826
29 HG12 VAL 5 2HG1 VAL 5 1.747 3.262 0.524
30 HG13 VAL 5 3HG1 VAL 5 1.618 2.738 2.203
31 HG21 VAL 5 3HG2 VAL 5 2.827 0.882 0.688
32 HG22 VAL 5 1HG2 VAL 5 4.538 0.827 1.115
33 HG23 VAL 5 2HG2 VAL 5 3.312 0.839 2.383
34 HA PRO 6 HA PRO 6 8.523 3.726 0.365
35 HB2 PRO 6 1HB PRO 6 9.101 5.218 2.587
36 HB3 PRO 6 2HB PRO 6 8.655 5.920 1.033
37 HG2 PRO 6 1HG PRO 6 6.947 5.386 3.440
38 HG3 PRO 6 2HG PRO 6 7.025 6.857 2.401
39 HD2 PRO 6 1HD PRO 6 5.053 5.006 2.172
40 HD3 PRO 6 2HD PRO 6 5.687 5.905 0.783
41 H TYR 7 H TYR 7 7.220 1.478 1.288
42 HA TYR 7 HA TYR 7 9.091 0.222 2.875
43 HB2 TYR 7 1HB TYR 7 7.674 -0.011 5.016
44 HB3 TYR 7 2HB TYR 7 8.597 1.476 4.787
45 HD1 TYR 7 1HD TYR 7 5.184 0.070 4.282
46 HD2 TYR 7 2HD TYR 7 7.545 3.552 4.917
47 HE1 TYR 7 1HE TYR 7 3.135 1.402 4.550
48 HE2 TYR 7 2HE TYR 7 5.502 4.894 5.188
49 HH TYR 7 HH TYR 7 2.655 3.790 5.891
50 HA PRO 8 HA PRO 8 6.722 -3.229 1.544
51 HB2 PRO 8 1HB PRO 8 7.593 -5.143 3.297
52 HB3 PRO 8 2HB PRO 8 8.580 -4.506 1.983
53 HG2 PRO 8 1HG PRO 8 8.542 -3.731 4.880
54 HG3 PRO 8 2HG PRO 8 9.954 -4.042 3.802
55 HD2 PRO 8 1HD PRO 8 9.115 -1.538 4.434
56 HD3 PRO 8 2HD PRO 8 9.819 -1.943 2.859
57 HA PRO 9 HA PRO 9 5.340 -4.605 1.027
58 HB2 PRO 9 1HB PRO 9 2.760 -4.176 0.209
59 HB3 PRO 9 2HB PRO 9 3.269 -5.596 1.126
60 HG2 PRO 9 1HG PRO 9 1.998 -3.058 2.099
61 HG3 PRO 9 2HG PRO 9 1.608 -4.766 2.526
62 HD2 PRO 9 1HD PRO 9 3.075 -3.150 4.140
63 HD3 PRO 9 2HD PRO 9 3.358 -4.896 4.020
64 H PHE 10 H PHE 10 6.049 -3.421 -0.638
65 HA PHE 10 HA PHE 10 6.140 -0.625 -0.576
66 HB2 PHE 10 1HB PHE 10 6.543 -2.573 -2.856
67 HB3 PHE 10 2HB PHE 10 6.869 -0.844 -2.985
68 HD1 PHE 10 1HD PHE 10 8.661 0.202 -1.641
69 HD2 PHE 10 2HD PHE 10 8.078 -4.014 -1.741
70 HE1 PHE 10 1HE PHE 10 10.924 -0.130 -0.735
71 HE2 PHE 10 2HE PHE 10 10.341 -4.351 -0.835
72 HZ PHE 10 HZ PHE 10 11.767 -2.409 -0.331
73 H PHE 11 H PHE 11 3.663 -2.745 -1.587
74 HA PHE 11 HA PHE 11 2.257 -0.516 -2.907
75 HB2 PHE 11 1HB PHE 11 0.875 -2.424 -3.965
76 HB3 PHE 11 2HB PHE 11 2.500 -2.126 -4.588
77 HD1 PHE 11 2HD PHE 11 4.321 -3.670 -4.171
78 HD2 PHE 11 1HD PHE 11 0.400 -4.437 -2.701
79 HE1 PHE 11 2HE PHE 11 4.943 -6.011 -3.740
80 HE2 PHE 11 1HE PHE 11 1.017 -6.778 -2.267
81 HZ PHE 11 HZ PHE 11 3.291 -7.568 -2.787
82 H ASP 12 H ASP 12 0.543 0.240 -1.868
83 HA ASP 12 HA ASP 12 -0.676 -1.427 0.227
84 HB2 ASP 12 1HB ASP 12 0.382 0.980 0.601
85 HB3 ASP 12 2HB ASP 12 -1.208 1.505 0.033
86 H CYS 13 H CYS 13 -2.896 -1.678 0.348
87 HA CYS 13 HA CYS 13 -4.676 -0.373 -1.482
88 HB2 CYS 13 1HB CYS 13 -3.566 -2.107 -2.906
89 HB3 CYS 13 2HB CYS 13 -4.267 -3.346 -1.848
90 H LYS 14 H LYS 14 -6.527 -0.134 -0.434
91 HA LYS 14 HA LYS 14 -7.229 -2.102 1.644
92 HB2 LYS 14 1HB LYS 14 -6.722 0.143 2.520
93 HB3 LYS 14 2HB LYS 14 -7.985 0.822 1.482
94 HG2 LYS 14 1HG LYS 14 -9.705 -0.052 2.744
95 HG3 LYS 14 2HG LYS 14 -8.683 -1.334 3.423
96 HD2 LYS 14 1HD LYS 14 -7.368 0.671 4.489
97 HD3 LYS 14 2HD LYS 14 -8.885 1.542 4.207
98 HE2 LYS 14 1HE LYS 14 -8.613 -1.047 5.754
99 HE3 LYS 14 2HE LYS 14 -8.781 0.566 6.462
100 HZ1 LYS 14 3HZ LYS 14 -10.934 0.742 5.248
101 HZ2 LYS 14 1HZ LYS 14 -10.910 -0.441 6.456
102 HZ3 LYS 14 2HZ LYS 14 -10.783 -0.890 4.830
103 HA PRO 15 HA PRO 15 -10.456 -2.390 -1.682
104 HB2 PRO 15 1HB PRO 15 -10.542 -5.129 -1.696
105 HB3 PRO 15 2HB PRO 15 -9.400 -4.186 -2.652
106 HG2 PRO 15 1HG PRO 15 -9.011 -5.514 0.008
107 HG3 PRO 15 2HG PRO 15 -7.931 -5.515 -1.435
108 HD2 PRO 15 1HD PRO 15 -7.492 -3.927 0.723
109 HD3 PRO 15 2HD PRO 15 -7.091 -3.429 -0.930
110 H ASN 16 H ASN 16 -12.630 -2.795 -1.390
111 HA ASN 16 HA ASN 16 -13.714 -2.662 1.149
112 HB2 ASN 16 1HB ASN 16 -15.855 -3.485 0.026
113 HB3 ASN 16 2HB ASN 16 -15.105 -2.039 -0.660
114 HD21 ASN 16 1HD2 ASN 16 -15.439 -5.516 -1.063
115 HD22 ASN 16 2HD2 ASN 16 -15.172 -5.529 -2.770
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -9.098 3.760 -1.288
2 HA2 GLY 1 2HA GLY 1 -8.725 2.370 -3.077
3 HA3 GLY 1 3HA GLY 1 -7.772 3.692 -3.734
4 H CYS 2 H CYS 2 -6.012 2.702 -4.530
5 HA CYS 2 HA CYS 2 -4.364 1.184 -2.626
6 HB2 CYS 2 1HB CYS 2 -4.585 0.463 -5.546
7 HB3 CYS 2 2HB CYS 2 -3.824 -0.474 -4.247
8 H TRP 3 H TRP 3 -2.422 2.057 -2.410
9 HA TRP 3 HA TRP 3 -1.062 3.203 -4.716
10 HB2 TRP 3 1HB TRP 3 -0.613 5.328 -3.700
11 HB3 TRP 3 2HB TRP 3 -2.356 5.064 -3.642
12 HD1 TRP 3 HD TRP 3 0.589 5.710 -1.408
13 HE1 TRP 3 1HE TRP 3 -0.187 5.805 1.044
14 HE3 TRP 3 3HE TRP 3 -4.172 3.941 -1.994
15 HZ2 TRP 3 2HZ TRP 3 -2.511 5.210 2.533
16 HZ3 TRP 3 3HZ TRP 3 -5.606 3.734 -0.006
17 HH2 TRP 3 HH TRP 3 -4.790 4.355 2.210
18 HA PRO 4 HA PRO 4 2.489 1.424 -2.847
19 HB2 PRO 4 1HB PRO 4 4.461 3.066 -3.805
20 HB3 PRO 4 2HB PRO 4 3.601 1.893 -4.802
21 HG2 PRO 4 1HG PRO 4 3.115 4.835 -4.482
22 HG3 PRO 4 2HG PRO 4 3.170 3.847 -5.988
23 HD2 PRO 4 1HD PRO 4 0.841 4.631 -4.833
24 HD3 PRO 4 2HD PRO 4 1.016 3.085 -5.683
25 H VAL 5 H VAL 5 4.162 1.762 -1.278
26 HA VAL 5 HA VAL 5 4.091 4.314 0.160
27 HB VAL 5 HB VAL 5 4.085 3.001 2.334
28 HG11 VAL 5 1HG1 VAL 5 2.174 4.272 1.874
29 HG12 VAL 5 2HG1 VAL 5 1.685 3.217 0.545
30 HG13 VAL 5 3HG1 VAL 5 1.554 2.655 2.211
31 HG21 VAL 5 3HG2 VAL 5 2.800 0.839 0.687
32 HG22 VAL 5 1HG2 VAL 5 4.507 0.807 1.124
33 HG23 VAL 5 2HG2 VAL 5 3.275 0.788 2.385
34 HA PRO 6 HA PRO 6 8.448 3.782 0.400
35 HB2 PRO 6 1HB PRO 6 8.997 5.267 2.633
36 HB3 PRO 6 2HB PRO 6 8.540 5.973 1.085
37 HG2 PRO 6 1HG PRO 6 6.838 5.391 3.485
38 HG3 PRO 6 2HG PRO 6 6.891 6.872 2.457
39 HD2 PRO 6 1HD PRO 6 4.953 4.987 2.211
40 HD3 PRO 6 2HD PRO 6 5.573 5.908 0.830
41 H TYR 7 H TYR 7 7.182 1.505 1.304
42 HA TYR 7 HA TYR 7 9.072 0.270 2.885
43 HB2 TYR 7 1HB TYR 7 7.656 -0.004 5.021
44 HB3 TYR 7 2HB TYR 7 8.552 1.501 4.806
45 HD1 TYR 7 1HD TYR 7 5.166 0.036 4.288
46 HD2 TYR 7 2HD TYR 7 7.464 3.557 4.945
47 HE1 TYR 7 1HE TYR 7 3.094 1.331 4.563
48 HE2 TYR 7 2HE TYR 7 5.397 4.861 5.224
49 HH TYR 7 HH TYR 7 2.242 3.456 4.612
50 HA PRO 8 HA PRO 8 6.766 -3.210 1.521
51 HB2 PRO 8 1HB PRO 8 7.674 -5.125 3.256
52 HB3 PRO 8 2HB PRO 8 8.648 -4.458 1.946
53 HG2 PRO 8 1HG PRO 8 8.600 -3.711 4.850
54 HG3 PRO 8 2HG PRO 8 10.014 -3.985 3.766
55 HD2 PRO 8 1HD PRO 8 9.131 -1.503 4.423
56 HD3 PRO 8 2HD PRO 8 9.839 -1.880 2.844
57 HA PRO 9 HA PRO 9 5.409 -4.608 0.992
58 HB2 PRO 9 1HB PRO 9 2.820 -4.223 0.182
59 HB3 PRO 9 2HB PRO 9 3.358 -5.639 1.085
60 HG2 PRO 9 1HG PRO 9 2.040 -3.135 2.081
61 HG3 PRO 9 2HG PRO 9 1.683 -4.853 2.494
62 HD2 PRO 9 1HD PRO 9 3.121 -3.224 4.120
63 HD3 PRO 9 2HD PRO 9 3.437 -4.963 3.985
64 H PHE 10 H PHE 10 6.095 -3.397 -0.662
65 HA PHE 10 HA PHE 10 6.134 -0.600 -0.576
66 HB2 PHE 10 1HB PHE 10 6.571 -2.521 -2.872
67 HB3 PHE 10 2HB PHE 10 6.863 -0.784 -2.988
68 HD1 PHE 10 2HD PHE 10 8.346 0.159 -0.945
69 HD2 PHE 10 1HD PHE 10 8.423 -3.817 -2.462
70 HE1 PHE 10 2HE PHE 10 10.617 -0.136 -0.045
71 HE2 PHE 10 1HE PHE 10 10.694 -4.119 -1.563
72 HZ PHE 10 HZ PHE 10 11.794 -2.277 -0.354
73 H PHE 11 H PHE 11 3.699 -2.760 -1.613
74 HA PHE 11 HA PHE 11 2.254 -0.552 -2.925
75 HB2 PHE 11 1HB PHE 11 0.887 -2.500 -3.948
76 HB3 PHE 11 2HB PHE 11 2.491 -2.161 -4.599
77 HD1 PHE 11 2HD PHE 11 4.354 -3.658 -4.223
78 HD2 PHE 11 1HD PHE 11 0.492 -4.514 -2.653
79 HE1 PHE 11 2HE PHE 11 5.048 -5.978 -3.794
80 HE2 PHE 11 1HE PHE 11 1.180 -6.836 -2.219
81 HZ PHE 11 HZ PHE 11 3.460 -7.572 -2.791
82 H ASP 12 H ASP 12 0.553 0.202 -1.865
83 HA ASP 12 HA ASP 12 -0.655 -1.475 0.228
84 HB2 ASP 12 1HB ASP 12 0.413 0.924 0.615
85 HB3 ASP 12 2HB ASP 12 -1.178 1.459 0.060
86 H CYS 13 H CYS 13 -2.871 -1.735 0.351
87 HA CYS 13 HA CYS 13 -4.662 -0.404 -1.449
88 HB2 CYS 13 1HB CYS 13 -3.572 -2.100 -2.916
89 HB3 CYS 13 2HB CYS 13 -4.230 -3.367 -1.866
90 H LYS 14 H LYS 14 -6.513 -0.188 -0.393
91 HA LYS 14 HA LYS 14 -7.194 -2.181 1.667
92 HB2 LYS 14 1HB LYS 14 -6.678 0.159 2.447
93 HB3 LYS 14 2HB LYS 14 -8.114 0.694 1.562
94 HG2 LYS 14 1HG LYS 14 -9.192 -1.293 3.032
95 HG3 LYS 14 2HG LYS 14 -7.896 -0.755 4.114
96 HD2 LYS 14 1HD LYS 14 -8.744 1.612 3.755
97 HD3 LYS 14 2HD LYS 14 -10.159 0.878 2.982
98 HE2 LYS 14 1HE LYS 14 -10.305 -0.542 5.165
99 HE3 LYS 14 2HE LYS 14 -9.282 0.733 5.840
100 HZ1 LYS 14 3HZ LYS 14 -10.930 2.278 5.685
101 HZ2 LYS 14 1HZ LYS 14 -11.879 0.897 5.923
102 HZ3 LYS 14 2HZ LYS 14 -11.686 1.532 4.368
103 HA PRO 15 HA PRO 15 -10.431 -2.481 -1.644
104 HB2 PRO 15 1HB PRO 15 -10.511 -5.218 -1.651
105 HB3 PRO 15 2HB PRO 15 -9.372 -4.276 -2.610
106 HG2 PRO 15 1HG PRO 15 -8.978 -5.596 0.054
107 HG3 PRO 15 2HG PRO 15 -7.899 -5.600 -1.390
108 HD2 PRO 15 1HD PRO 15 -7.461 -4.004 0.764
109 HD3 PRO 15 2HD PRO 15 -7.062 -3.511 -0.890
110 H ASN 16 H ASN 16 -12.605 -3.207 -1.444
111 HA ASN 16 HA ASN 16 -13.423 -3.623 1.347
112 HB2 ASN 16 1HB ASN 16 -14.349 -1.615 0.352
113 HB3 ASN 16 2HB ASN 16 -14.960 -2.542 -1.024
114 HD21 ASN 16 1HD2 ASN 16 -17.076 -2.651 -0.924
115 HD22 ASN 16 2HD2 ASN 16 -18.014 -2.982 0.488
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -8.950 2.202 -4.414
2 HA2 GLY 1 2HA GLY 1 -7.863 3.980 -3.200
3 HA3 GLY 1 3HA GLY 1 -8.455 3.261 -1.710
4 H CYS 2 H CYS 2 -6.261 2.682 -4.435
5 HA CYS 2 HA CYS 2 -4.520 1.189 -2.584
6 HB2 CYS 2 1HB CYS 2 -5.173 0.668 -5.478
7 HB3 CYS 2 2HB CYS 2 -3.719 0.000 -4.716
8 H TRP 3 H TRP 3 -2.369 1.671 -2.589
9 HA TRP 3 HA TRP 3 -1.097 3.176 -4.644
10 HB2 TRP 3 1HB TRP 3 -0.737 5.260 -3.528
11 HB3 TRP 3 2HB TRP 3 -2.472 4.944 -3.500
12 HD1 TRP 3 HD TRP 3 0.435 5.560 -1.207
13 HE1 TRP 3 1HE TRP 3 -0.366 5.520 1.238
14 HE3 TRP 3 3HE TRP 3 -4.272 3.702 -1.928
15 HZ2 TRP 3 2HZ TRP 3 -2.688 4.795 2.672
16 HZ3 TRP 3 3HZ TRP 3 -5.720 3.365 0.034
17 HH2 TRP 3 HH TRP 3 -4.941 3.900 2.285
18 HA PRO 4 HA PRO 4 2.434 1.361 -2.769
19 HB2 PRO 4 1HB PRO 4 4.402 3.051 -3.650
20 HB3 PRO 4 2HB PRO 4 3.571 1.896 -4.692
21 HG2 PRO 4 1HG PRO 4 3.046 4.822 -4.300
22 HG3 PRO 4 2HG PRO 4 3.136 3.876 -5.831
23 HD2 PRO 4 1HD PRO 4 0.781 4.602 -4.694
24 HD3 PRO 4 2HD PRO 4 0.987 3.081 -5.582
25 H VAL 5 H VAL 5 4.148 1.724 -1.212
26 HA VAL 5 HA VAL 5 3.959 4.211 0.326
27 HB VAL 5 HB VAL 5 4.033 2.818 2.448
28 HG11 VAL 5 1HG1 VAL 5 1.556 2.794 0.728
29 HG12 VAL 5 2HG1 VAL 5 1.575 2.478 2.464
30 HG13 VAL 5 3HG1 VAL 5 2.059 4.059 1.848
31 HG21 VAL 5 3HG2 VAL 5 2.849 0.655 0.727
32 HG22 VAL 5 1HG2 VAL 5 4.560 0.695 1.154
33 HG23 VAL 5 2HG2 VAL 5 3.338 0.566 2.419
34 HA PRO 6 HA PRO 6 8.338 3.886 0.523
35 HB2 PRO 6 1HB PRO 6 8.828 5.308 2.811
36 HB3 PRO 6 2HB PRO 6 8.328 6.051 1.292
37 HG2 PRO 6 1HG PRO 6 6.673 5.295 3.676
38 HG3 PRO 6 2HG PRO 6 6.646 6.813 2.707
39 HD2 PRO 6 1HD PRO 6 4.802 4.845 2.397
40 HD3 PRO 6 2HD PRO 6 5.365 5.849 1.051
41 H TYR 7 H TYR 7 7.198 1.514 1.340
42 HA TYR 7 HA TYR 7 9.157 0.315 2.862
43 HB2 TYR 7 1HB TYR 7 7.773 -0.111 4.995
44 HB3 TYR 7 2HB TYR 7 8.592 1.443 4.833
45 HD1 TYR 7 2HD TYR 7 5.278 -0.165 4.270
46 HD2 TYR 7 1HD TYR 7 7.405 3.434 5.069
47 HE1 TYR 7 2HE TYR 7 3.146 1.014 4.607
48 HE2 TYR 7 1HE TYR 7 5.278 4.621 5.409
49 HH TYR 7 HH TYR 7 3.066 4.471 5.427
50 HA PRO 8 HA PRO 8 7.013 -3.213 1.364
51 HB2 PRO 8 1HB PRO 8 8.049 -5.153 2.996
52 HB3 PRO 8 2HB PRO 8 8.964 -4.378 1.704
53 HG2 PRO 8 1HG PRO 8 8.927 -3.764 4.640
54 HG3 PRO 8 2HG PRO 8 10.335 -3.915 3.524
55 HD2 PRO 8 1HD PRO 8 9.335 -1.515 4.307
56 HD3 PRO 8 2HD PRO 8 10.034 -1.783 2.702
57 HA PRO 9 HA PRO 9 5.723 -4.659 0.794
58 HB2 PRO 9 1HB PRO 9 3.104 -4.379 0.040
59 HB3 PRO 9 2HB PRO 9 3.731 -5.802 0.870
60 HG2 PRO 9 1HG PRO 9 2.301 -3.417 1.996
61 HG3 PRO 9 2HG PRO 9 2.040 -5.169 2.337
62 HD2 PRO 9 1HD PRO 9 3.418 -3.538 4.014
63 HD3 PRO 9 2HD PRO 9 3.823 -5.250 3.796
64 H PHE 10 H PHE 10 6.310 -3.343 -0.819
65 HA PHE 10 HA PHE 10 6.206 -0.555 -0.608
66 HB2 PHE 10 1HB PHE 10 6.699 -2.346 -2.997
67 HB3 PHE 10 2HB PHE 10 6.899 -0.594 -3.037
68 HD1 PHE 10 1HD PHE 10 8.159 0.011 -0.494
69 HD2 PHE 10 2HD PHE 10 8.833 -3.239 -3.159
70 HE1 PHE 10 1HE PHE 10 10.458 -0.206 0.357
71 HE2 PHE 10 2HE PHE 10 11.132 -3.461 -2.313
72 HZ PHE 10 HZ PHE 10 11.948 -1.945 -0.552
73 H PHE 11 H PHE 11 3.861 -2.789 -1.684
74 HA PHE 11 HA PHE 11 2.300 -0.623 -2.929
75 HB2 PHE 11 1HB PHE 11 0.966 -2.597 -3.918
76 HB3 PHE 11 2HB PHE 11 2.559 -2.249 -4.594
77 HD1 PHE 11 1HD PHE 11 0.624 -4.589 -2.554
78 HD2 PHE 11 2HD PHE 11 4.426 -3.737 -4.269
79 HE1 PHE 11 1HE PHE 11 1.341 -6.898 -2.106
80 HE2 PHE 11 2HE PHE 11 5.148 -6.046 -3.823
81 HZ PHE 11 HZ PHE 11 3.604 -7.631 -2.741
82 H ASP 12 H ASP 12 0.585 0.073 -1.849
83 HA ASP 12 HA ASP 12 -0.517 -1.635 0.281
84 HB2 ASP 12 1HB ASP 12 0.525 0.775 0.667
85 HB3 ASP 12 2HB ASP 12 -1.089 1.294 0.161
86 H CYS 13 H CYS 13 -2.835 -1.502 0.663
87 HA CYS 13 HA CYS 13 -4.512 -0.451 -1.442
88 HB2 CYS 13 1HB CYS 13 -3.885 -3.343 -1.167
89 HB3 CYS 13 2HB CYS 13 -5.566 -2.910 -1.519
90 H LYS 14 H LYS 14 -6.654 -0.226 -0.833
91 HA LYS 14 HA LYS 14 -7.505 -1.319 1.735
92 HB2 LYS 14 1HB LYS 14 -6.403 0.942 2.095
93 HB3 LYS 14 2HB LYS 14 -7.750 1.636 1.180
94 HG2 LYS 14 1HG LYS 14 -9.234 1.372 2.864
95 HG3 LYS 14 2HG LYS 14 -8.485 -0.136 3.419
96 HD2 LYS 14 1HD LYS 14 -6.513 1.665 3.973
97 HD3 LYS 14 2HD LYS 14 -7.970 2.639 4.236
98 HE2 LYS 14 1HE LYS 14 -8.707 0.384 5.517
99 HE3 LYS 14 2HE LYS 14 -6.951 0.304 5.736
100 HZ1 LYS 14 3HZ LYS 14 -8.436 1.576 7.434
101 HZ2 LYS 14 1HZ LYS 14 -8.328 2.833 6.306
102 HZ3 LYS 14 2HZ LYS 14 -6.923 2.195 6.998
103 HA PRO 15 HA PRO 15 -10.769 -1.260 -1.588
104 HB2 PRO 15 1HB PRO 15 -11.431 -3.906 -1.341
105 HB3 PRO 15 2HB PRO 15 -10.137 -3.320 -2.385
106 HG2 PRO 15 1HG PRO 15 -9.978 -4.446 0.390
107 HG3 PRO 15 2HG PRO 15 -8.954 -4.811 -1.049
108 HD2 PRO 15 1HD PRO 15 -8.142 -3.159 0.946
109 HD3 PRO 15 2HD PRO 15 -7.682 -2.913 -0.748
110 H ASN 16 H ASN 16 -12.903 -0.954 -1.185
111 HA ASN 16 HA ASN 16 -14.103 -2.009 1.245
112 HB2 ASN 16 1HB ASN 16 -13.063 0.221 1.816
113 HB3 ASN 16 2HB ASN 16 -14.194 0.957 0.674
114 HD21 ASN 16 1HD2 ASN 16 -15.886 1.821 1.605
115 HD22 ASN 16 2HD2 ASN 16 -16.677 1.247 3.029
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -9.876 2.117 -2.281
2 HA2 GLY 1 2HA GLY 1 -8.395 2.858 -3.873
3 HA3 GLY 1 3HA GLY 1 -7.859 4.051 -2.700
4 H CYS 2 H CYS 2 -6.211 2.647 -4.576
5 HA CYS 2 HA CYS 2 -4.496 1.158 -2.699
6 HB2 CYS 2 1HB CYS 2 -5.111 0.620 -5.598
7 HB3 CYS 2 2HB CYS 2 -3.667 -0.041 -4.813
8 H TRP 3 H TRP 3 -2.346 1.645 -2.680
9 HA TRP 3 HA TRP 3 -1.052 3.142 -4.728
10 HB2 TRP 3 1HB TRP 3 -0.710 5.232 -3.618
11 HB3 TRP 3 2HB TRP 3 -2.444 4.912 -3.610
12 HD1 TRP 3 HD TRP 3 0.433 5.546 -1.285
13 HE1 TRP 3 1HE TRP 3 -0.399 5.517 1.151
14 HE3 TRP 3 3HE TRP 3 -4.262 3.676 -2.053
15 HZ2 TRP 3 2HZ TRP 3 -2.736 4.796 2.560
16 HZ3 TRP 3 3HZ TRP 3 -5.734 3.347 -0.109
17 HH2 TRP 3 HH TRP 3 -4.984 3.895 2.149
18 HA PRO 4 HA PRO 4 2.459 1.344 -2.799
19 HB2 PRO 4 1HB PRO 4 4.434 3.032 -3.666
20 HB3 PRO 4 2HB PRO 4 3.619 1.869 -4.712
21 HG2 PRO 4 1HG PRO 4 3.081 4.797 -4.340
22 HG3 PRO 4 2HG PRO 4 3.194 3.843 -5.867
23 HD2 PRO 4 1HD PRO 4 0.822 4.570 -4.763
24 HD3 PRO 4 2HD PRO 4 1.043 3.045 -5.639
25 H VAL 5 H VAL 5 4.153 1.717 -1.223
26 HA VAL 5 HA VAL 5 3.942 4.213 0.298
27 HB VAL 5 HB VAL 5 3.990 2.832 2.429
28 HG11 VAL 5 1HG1 VAL 5 2.017 4.016 1.983
29 HG12 VAL 5 2HG1 VAL 5 1.590 2.966 0.631
30 HG13 VAL 5 3HG1 VAL 5 1.485 2.361 2.284
31 HG21 VAL 5 3HG2 VAL 5 4.537 0.702 1.153
32 HG22 VAL 5 1HG2 VAL 5 3.300 0.580 2.403
33 HG23 VAL 5 2HG2 VAL 5 2.832 0.658 0.705
34 HA PRO 6 HA PRO 6 8.318 3.898 0.550
35 HB2 PRO 6 1HB PRO 6 8.778 5.335 2.836
36 HB3 PRO 6 2HB PRO 6 8.294 6.066 1.308
37 HG2 PRO 6 1HG PRO 6 6.612 5.318 3.675
38 HG3 PRO 6 2HG PRO 6 6.594 6.833 2.697
39 HD2 PRO 6 1HD PRO 6 4.756 4.862 2.376
40 HD3 PRO 6 2HD PRO 6 5.336 5.858 1.031
41 H TYR 7 H TYR 7 7.172 1.529 1.368
42 HA TYR 7 HA TYR 7 9.114 0.341 2.919
43 HB2 TYR 7 1HB TYR 7 7.705 -0.077 5.036
44 HB3 TYR 7 2HB TYR 7 8.523 1.479 4.878
45 HD1 TYR 7 2HD TYR 7 5.220 -0.138 4.283
46 HD2 TYR 7 1HD TYR 7 7.329 3.468 5.088
47 HE1 TYR 7 2HE TYR 7 3.081 1.038 4.587
48 HE2 TYR 7 1HE TYR 7 5.196 4.655 5.395
49 HH TYR 7 HH TYR 7 2.105 2.938 5.266
50 HA PRO 8 HA PRO 8 6.995 -3.200 1.416
51 HB2 PRO 8 1HB PRO 8 8.014 -5.128 3.070
52 HB3 PRO 8 2HB PRO 8 8.944 -4.359 1.786
53 HG2 PRO 8 1HG PRO 8 8.870 -3.729 4.718
54 HG3 PRO 8 2HG PRO 8 10.292 -3.883 3.620
55 HD2 PRO 8 1HD PRO 8 9.277 -1.480 4.376
56 HD3 PRO 8 2HD PRO 8 9.998 -1.756 2.782
57 HA PRO 9 HA PRO 9 5.715 -4.652 0.837
58 HB2 PRO 9 1HB PRO 9 3.106 -4.379 0.048
59 HB3 PRO 9 2HB PRO 9 3.724 -5.797 0.895
60 HG2 PRO 9 1HG PRO 9 2.277 -3.409 1.990
61 HG3 PRO 9 2HG PRO 9 2.015 -5.160 2.338
62 HD2 PRO 9 1HD PRO 9 3.367 -3.517 4.022
63 HD3 PRO 9 2HD PRO 9 3.780 -5.228 3.819
64 H PHE 10 H PHE 10 6.320 -3.343 -0.775
65 HA PHE 10 HA PHE 10 6.207 -0.554 -0.581
66 HB2 PHE 10 1HB PHE 10 6.733 -2.356 -2.955
67 HB3 PHE 10 2HB PHE 10 6.931 -0.604 -3.001
68 HD1 PHE 10 1HD PHE 10 8.276 0.214 -0.704
69 HD2 PHE 10 2HD PHE 10 8.753 -3.444 -2.827
70 HE1 PHE 10 1HE PHE 10 10.565 0.005 0.175
71 HE2 PHE 10 2HE PHE 10 11.042 -3.659 -1.950
72 HZ PHE 10 HZ PHE 10 11.950 -1.933 -0.447
73 H PHE 11 H PHE 11 3.880 -2.798 -1.674
74 HA PHE 11 HA PHE 11 2.331 -0.642 -2.950
75 HB2 PHE 11 1HB PHE 11 1.013 -2.623 -3.945
76 HB3 PHE 11 2HB PHE 11 2.613 -2.277 -4.603
77 HD1 PHE 11 2HD PHE 11 4.527 -3.713 -4.097
78 HD2 PHE 11 1HD PHE 11 0.610 -4.653 -2.723
79 HE1 PHE 11 2HE PHE 11 5.248 -6.019 -3.630
80 HE2 PHE 11 1HE PHE 11 1.324 -6.960 -2.253
81 HZ PHE 11 HZ PHE 11 3.645 -7.646 -2.707
82 H ASP 12 H ASP 12 0.601 0.056 -1.896
83 HA ASP 12 HA ASP 12 -0.524 -1.641 0.230
84 HB2 ASP 12 1HB ASP 12 0.508 0.774 0.616
85 HB3 ASP 12 2HB ASP 12 -1.100 1.285 0.087
86 H CYS 13 H CYS 13 -2.848 -1.512 0.583
87 HA CYS 13 HA CYS 13 -4.500 -0.476 -1.549
88 HB2 CYS 13 1HB CYS 13 -3.872 -3.366 -1.250
89 HB3 CYS 13 2HB CYS 13 -5.549 -2.937 -1.625
90 H LYS 14 H LYS 14 -6.615 -0.178 -0.938
91 HA LYS 14 HA LYS 14 -7.481 -1.259 1.641
92 HB2 LYS 14 1HB LYS 14 -6.478 0.983 2.044
93 HB3 LYS 14 2HB LYS 14 -7.671 1.676 0.934
94 HG2 LYS 14 1HG LYS 14 -9.438 0.631 2.480
95 HG3 LYS 14 2HG LYS 14 -8.108 0.476 3.642
96 HD2 LYS 14 1HD LYS 14 -7.896 2.743 3.934
97 HD3 LYS 14 2HD LYS 14 -8.517 3.110 2.316
98 HE2 LYS 14 1HE LYS 14 -10.161 3.816 3.916
99 HE3 LYS 14 2HE LYS 14 -10.773 2.382 3.079
100 HZ1 LYS 14 3HZ LYS 14 -9.414 1.417 5.267
101 HZ2 LYS 14 1HZ LYS 14 -11.093 1.500 5.072
102 HZ3 LYS 14 2HZ LYS 14 -10.269 2.756 5.849
103 HA PRO 15 HA PRO 15 -10.729 -1.445 -1.684
104 HB2 PRO 15 1HB PRO 15 -11.354 -4.080 -1.272
105 HB3 PRO 15 2HB PRO 15 -10.060 -3.542 -2.341
106 HG2 PRO 15 1HG PRO 15 -9.909 -4.484 0.502
107 HG3 PRO 15 2HG PRO 15 -8.867 -4.926 -0.903
108 HD2 PRO 15 1HD PRO 15 -8.097 -3.138 0.988
109 HD3 PRO 15 2HD PRO 15 -7.626 -2.993 -0.714
110 H ASN 16 H ASN 16 -12.763 -0.882 -1.215
111 HA ASN 16 HA ASN 16 -13.978 -1.846 1.275
112 HB2 ASN 16 1HB ASN 16 -14.909 0.406 1.712
113 HB3 ASN 16 2HB ASN 16 -13.143 0.379 1.786
114 HD21 ASN 16 1HD2 ASN 16 -15.862 1.780 0.343
115 HD22 ASN 16 2HD2 ASN 16 -15.042 2.768 -0.812
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.630 4.881 -2.774
2 HA2 GLY 1 2HA GLY 1 -8.690 2.741 -1.809
3 HA3 GLY 1 3HA GLY 1 -8.698 2.359 -3.524
4 H CYS 2 H CYS 2 -6.312 2.519 -4.460
5 HA CYS 2 HA CYS 2 -4.556 1.040 -2.612
6 HB2 CYS 2 1HB CYS 2 -5.187 0.521 -5.511
7 HB3 CYS 2 2HB CYS 2 -3.724 -0.124 -4.745
8 H TRP 3 H TRP 3 -2.414 1.562 -2.606
9 HA TRP 3 HA TRP 3 -1.163 3.102 -4.649
10 HB2 TRP 3 1HB TRP 3 -0.844 5.186 -3.520
11 HB3 TRP 3 2HB TRP 3 -2.574 4.837 -3.502
12 HD1 TRP 3 HD TRP 3 0.313 5.495 -1.194
13 HE1 TRP 3 1HE TRP 3 -0.498 5.428 1.248
14 HE3 TRP 3 3HE TRP 3 -4.357 3.554 -1.942
15 HZ2 TRP 3 2HZ TRP 3 -2.810 4.653 2.669
16 HZ3 TRP 3 3HZ TRP 3 -5.806 3.180 0.011
17 HH2 TRP 3 HH TRP 3 -5.046 3.718 2.269
18 HA PRO 4 HA PRO 4 2.396 1.342 -2.769
19 HB2 PRO 4 1HB PRO 4 4.334 3.072 -3.637
20 HB3 PRO 4 2HB PRO 4 3.529 1.908 -4.686
21 HG2 PRO 4 1HG PRO 4 2.948 4.823 -4.281
22 HG3 PRO 4 2HG PRO 4 3.062 3.885 -5.816
23 HD2 PRO 4 1HD PRO 4 0.689 4.561 -4.684
24 HD3 PRO 4 2HD PRO 4 0.926 3.050 -5.579
25 H VAL 5 H VAL 5 4.098 1.730 -1.204
26 HA VAL 5 HA VAL 5 3.857 4.204 0.345
27 HB VAL 5 HB VAL 5 3.948 2.802 2.461
28 HG11 VAL 5 1HG1 VAL 5 1.395 2.166 2.117
29 HG12 VAL 5 2HG1 VAL 5 1.929 3.841 2.265
30 HG13 VAL 5 3HG1 VAL 5 1.604 3.155 0.673
31 HG21 VAL 5 3HG2 VAL 5 4.519 0.695 1.157
32 HG22 VAL 5 1HG2 VAL 5 3.295 0.539 2.417
33 HG23 VAL 5 2HG2 VAL 5 2.810 0.626 0.724
34 HA PRO 6 HA PRO 6 8.239 3.959 0.556
35 HB2 PRO 6 1HB PRO 6 8.696 5.381 2.852
36 HB3 PRO 6 2HB PRO 6 8.186 6.120 1.336
37 HG2 PRO 6 1HG PRO 6 6.538 5.320 3.711
38 HG3 PRO 6 2HG PRO 6 6.487 6.843 2.749
39 HD2 PRO 6 1HD PRO 6 4.680 4.843 2.423
40 HD3 PRO 6 2HD PRO 6 5.229 5.865 1.083
41 H TYR 7 H TYR 7 7.141 1.564 1.359
42 HA TYR 7 HA TYR 7 9.116 0.393 2.881
43 HB2 TYR 7 1HB TYR 7 7.733 -0.071 5.006
44 HB3 TYR 7 2HB TYR 7 8.522 1.500 4.856
45 HD1 TYR 7 2HD TYR 7 5.241 -0.165 4.274
46 HD2 TYR 7 1HD TYR 7 7.297 3.467 5.097
47 HE1 TYR 7 2HE TYR 7 3.087 0.972 4.607
48 HE2 TYR 7 1HE TYR 7 5.148 4.614 5.434
49 HH TYR 7 HH TYR 7 2.069 2.861 5.166
50 HA PRO 8 HA PRO 8 7.042 -3.167 1.359
51 HB2 PRO 8 1HB PRO 8 8.109 -5.096 2.983
52 HB3 PRO 8 2HB PRO 8 9.014 -4.297 1.699
53 HG2 PRO 8 1HG PRO 8 8.953 -3.699 4.638
54 HG3 PRO 8 2HG PRO 8 10.370 -3.818 3.527
55 HD2 PRO 8 1HD PRO 8 9.321 -1.440 4.317
56 HD3 PRO 8 2HD PRO 8 10.033 -1.688 2.714
57 HA PRO 9 HA PRO 9 5.782 -4.633 0.776
58 HB2 PRO 9 1HB PRO 9 3.162 -4.398 0.012
59 HB3 PRO 9 2HB PRO 9 3.811 -5.814 0.839
60 HG2 PRO 9 1HG PRO 9 2.333 -3.461 1.971
61 HG3 PRO 9 2HG PRO 9 2.104 -5.220 2.303
62 HD2 PRO 9 1HD PRO 9 3.445 -3.573 3.993
63 HD3 PRO 9 2HD PRO 9 3.882 -5.275 3.768
64 H PHE 10 H PHE 10 6.351 -3.299 -0.828
65 HA PHE 10 HA PHE 10 6.193 -0.515 -0.604
66 HB2 PHE 10 1HB PHE 10 6.729 -2.283 -3.000
67 HB3 PHE 10 2HB PHE 10 6.896 -0.528 -3.030
68 HD1 PHE 10 1HD PHE 10 8.285 -3.635 -1.666
69 HD2 PHE 10 2HD PHE 10 8.730 0.587 -1.970
70 HE1 PHE 10 1HE PHE 10 10.584 -3.819 -0.809
71 HE2 PHE 10 2HE PHE 10 11.030 0.411 -1.115
72 HZ PHE 10 HZ PHE 10 11.961 -1.795 -0.534
73 H PHE 11 H PHE 11 3.894 -2.785 -1.700
74 HA PHE 11 HA PHE 11 2.298 -0.643 -2.940
75 HB2 PHE 11 1HB PHE 11 1.006 -2.636 -3.945
76 HB3 PHE 11 2HB PHE 11 2.594 -2.255 -4.612
77 HD1 PHE 11 1HD PHE 11 0.697 -4.639 -2.587
78 HD2 PHE 11 2HD PHE 11 4.485 -3.711 -4.292
79 HE1 PHE 11 1HE PHE 11 1.455 -6.938 -2.147
80 HE2 PHE 11 2HE PHE 11 5.248 -6.009 -3.855
81 HZ PHE 11 HZ PHE 11 3.732 -7.626 -2.781
82 H ASP 12 H ASP 12 0.567 0.015 -1.864
83 HA ASP 12 HA ASP 12 -0.512 -1.723 0.254
84 HB2 ASP 12 1HB ASP 12 0.485 0.705 0.656
85 HB3 ASP 12 2HB ASP 12 -1.136 1.195 0.146
86 H CYS 13 H CYS 13 -2.833 -1.634 0.629
87 HA CYS 13 HA CYS 13 -4.521 -0.604 -1.478
88 HB2 CYS 13 1HB CYS 13 -3.843 -3.486 -1.214
89 HB3 CYS 13 2HB CYS 13 -5.530 -3.081 -1.570
90 H LYS 14 H LYS 14 -6.649 -0.377 -0.858
91 HA LYS 14 HA LYS 14 -7.522 -1.534 1.669
92 HB2 LYS 14 1HB LYS 14 -6.386 0.735 2.059
93 HB3 LYS 14 2HB LYS 14 -7.791 1.434 1.238
94 HG2 LYS 14 1HG LYS 14 -9.278 0.443 2.915
95 HG3 LYS 14 2HG LYS 14 -7.865 -0.237 3.744
96 HD2 LYS 14 1HD LYS 14 -8.423 1.748 4.917
97 HD3 LYS 14 2HD LYS 14 -6.991 2.125 3.945
98 HE2 LYS 14 1HE LYS 14 -8.478 3.102 2.200
99 HE3 LYS 14 2HE LYS 14 -9.849 2.820 3.282
100 HZ1 LYS 14 3HZ LYS 14 -8.138 4.163 4.870
101 HZ2 LYS 14 1HZ LYS 14 -9.408 4.871 4.006
102 HZ3 LYS 14 2HZ LYS 14 -7.841 4.884 3.369
103 HA PRO 15 HA PRO 15 -10.774 -1.348 -1.653
104 HB2 PRO 15 1HB PRO 15 -11.502 -3.980 -1.436
105 HB3 PRO 15 2HB PRO 15 -10.186 -3.416 -2.465
106 HG2 PRO 15 1HG PRO 15 -10.073 -4.571 0.299
107 HG3 PRO 15 2HG PRO 15 -9.049 -4.948 -1.136
108 HD2 PRO 15 1HD PRO 15 -8.211 -3.335 0.880
109 HD3 PRO 15 2HD PRO 15 -7.733 -3.084 -0.807
110 H ASN 16 H ASN 16 -13.021 -1.368 -1.373
111 HA ASN 16 HA ASN 16 -14.044 -2.050 1.285
112 HB2 ASN 16 1HB ASN 16 -13.450 0.417 1.144
113 HB3 ASN 16 2HB ASN 16 -14.738 0.563 -0.057
114 HD21 ASN 16 1HD2 ASN 16 -14.053 -0.305 3.273
115 HD22 ASN 16 2HD2 ASN 16 -15.639 0.021 3.879
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -7.162 4.288 -3.873
2 HA2 GLY 1 2HA GLY 1 -8.564 3.004 -1.726
3 HA3 GLY 1 3HA GLY 1 -8.834 2.204 -3.268
4 H CYS 2 H CYS 2 -6.302 2.570 -4.417
5 HA CYS 2 HA CYS 2 -4.561 1.063 -2.580
6 HB2 CYS 2 1HB CYS 2 -5.194 0.542 -5.479
7 HB3 CYS 2 2HB CYS 2 -3.734 -0.106 -4.713
8 H TRP 3 H TRP 3 -2.417 1.580 -2.580
9 HA TRP 3 HA TRP 3 -1.168 3.116 -4.627
10 HB2 TRP 3 1HB TRP 3 -0.842 5.199 -3.499
11 HB3 TRP 3 2HB TRP 3 -2.571 4.855 -3.474
12 HD1 TRP 3 HD TRP 3 0.324 5.505 -1.175
13 HE1 TRP 3 1HE TRP 3 -0.480 5.437 1.271
14 HE3 TRP 3 3HE TRP 3 -4.351 3.573 -1.910
15 HZ2 TRP 3 2HZ TRP 3 -2.789 4.665 2.698
16 HZ3 TRP 3 3HZ TRP 3 -5.794 3.199 0.047
17 HH2 TRP 3 HH TRP 3 -5.027 3.734 2.303
18 HA PRO 4 HA PRO 4 2.392 1.347 -2.761
19 HB2 PRO 4 1HB PRO 4 4.333 3.075 -3.631
20 HB3 PRO 4 2HB PRO 4 3.521 1.913 -4.680
21 HG2 PRO 4 1HG PRO 4 2.947 4.829 -4.270
22 HG3 PRO 4 2HG PRO 4 3.054 3.893 -5.806
23 HD2 PRO 4 1HD PRO 4 0.685 4.571 -4.666
24 HD3 PRO 4 2HD PRO 4 0.919 3.062 -5.564
25 H VAL 5 H VAL 5 4.108 1.735 -1.207
26 HA VAL 5 HA VAL 5 3.874 4.206 0.349
27 HB VAL 5 HB VAL 5 3.971 2.800 2.463
28 HG11 VAL 5 1HG1 VAL 5 1.600 3.102 0.683
29 HG12 VAL 5 2HG1 VAL 5 1.428 2.206 2.193
30 HG13 VAL 5 3HG1 VAL 5 1.964 3.885 2.220
31 HG21 VAL 5 3HG2 VAL 5 3.319 0.539 2.419
32 HG22 VAL 5 1HG2 VAL 5 2.810 0.633 0.733
33 HG23 VAL 5 2HG2 VAL 5 4.526 0.693 1.142
34 HA PRO 6 HA PRO 6 8.259 3.951 0.545
35 HB2 PRO 6 1HB PRO 6 8.727 5.368 2.840
36 HB3 PRO 6 2HB PRO 6 8.213 6.111 1.326
37 HG2 PRO 6 1HG PRO 6 6.570 5.312 3.705
38 HG3 PRO 6 2HG PRO 6 6.519 6.838 2.744
39 HD2 PRO 6 1HD PRO 6 4.707 4.842 2.423
40 HD3 PRO 6 2HD PRO 6 5.254 5.863 1.083
41 H TYR 7 H TYR 7 7.155 1.558 1.350
42 HA TYR 7 HA TYR 7 9.132 0.381 2.865
43 HB2 TYR 7 1HB TYR 7 7.757 -0.080 4.996
44 HB3 TYR 7 2HB TYR 7 8.549 1.489 4.842
45 HD1 TYR 7 1HD TYR 7 5.262 -0.170 4.271
46 HD2 TYR 7 2HD TYR 7 7.329 3.459 5.084
47 HE1 TYR 7 1HE TYR 7 3.110 0.971 4.614
48 HE2 TYR 7 2HE TYR 7 5.183 4.610 5.431
49 HH TYR 7 HH TYR 7 2.687 3.667 6.172
50 HA PRO 8 HA PRO 8 7.045 -3.174 1.347
51 HB2 PRO 8 1HB PRO 8 8.113 -5.105 2.968
52 HB3 PRO 8 2HB PRO 8 9.015 -4.308 1.680
53 HG2 PRO 8 1HG PRO 8 8.967 -3.712 4.618
54 HG3 PRO 8 2HG PRO 8 10.379 -3.833 3.503
55 HD2 PRO 8 1HD PRO 8 9.340 -1.455 4.300
56 HD3 PRO 8 2HD PRO 8 10.044 -1.702 2.692
57 HA PRO 9 HA PRO 9 5.779 -4.638 0.768
58 HB2 PRO 9 1HB PRO 9 3.157 -4.396 0.014
59 HB3 PRO 9 2HB PRO 9 3.806 -5.812 0.838
60 HG2 PRO 9 1HG PRO 9 2.336 -3.458 1.976
61 HG3 PRO 9 2HG PRO 9 2.106 -5.215 2.309
62 HD2 PRO 9 1HD PRO 9 3.457 -3.571 3.994
63 HD3 PRO 9 2HD PRO 9 3.890 -5.275 3.767
64 H PHE 10 H PHE 10 6.345 -3.303 -0.837
65 HA PHE 10 HA PHE 10 6.195 -0.518 -0.610
66 HB2 PHE 10 1HB PHE 10 6.718 -2.288 -3.009
67 HB3 PHE 10 2HB PHE 10 6.889 -0.532 -3.040
68 HD1 PHE 10 1HD PHE 10 8.299 0.354 -0.870
69 HD2 PHE 10 2HD PHE 10 8.705 -3.418 -2.799
70 HE1 PHE 10 1HE PHE 10 10.602 0.172 -0.021
71 HE2 PHE 10 2HE PHE 10 11.008 -3.607 -1.953
72 HZ PHE 10 HZ PHE 10 11.959 -1.811 -0.561
73 H PHE 11 H PHE 11 3.887 -2.783 -1.699
74 HA PHE 11 HA PHE 11 2.291 -0.637 -2.932
75 HB2 PHE 11 1HB PHE 11 0.989 -2.627 -3.932
76 HB3 PHE 11 2HB PHE 11 2.576 -2.249 -4.607
77 HD1 PHE 11 2HD PHE 11 4.483 -3.694 -4.245
78 HD2 PHE 11 1HD PHE 11 0.665 -4.645 -2.624
79 HE1 PHE 11 2HE PHE 11 5.243 -5.993 -3.813
80 HE2 PHE 11 1HE PHE 11 1.419 -6.945 -2.188
81 HZ PHE 11 HZ PHE 11 3.711 -7.623 -2.783
82 H ASP 12 H ASP 12 0.565 0.025 -1.850
83 HA ASP 12 HA ASP 12 -0.510 -1.712 0.270
84 HB2 ASP 12 1HB ASP 12 0.493 0.712 0.671
85 HB3 ASP 12 2HB ASP 12 -1.129 1.207 0.168
86 H CYS 13 H CYS 13 -2.831 -1.613 0.657
87 HA CYS 13 HA CYS 13 -4.522 -0.582 -1.447
88 HB2 CYS 13 1HB CYS 13 -3.853 -3.465 -1.181
89 HB3 CYS 13 2HB CYS 13 -5.541 -3.056 -1.530
90 H LYS 14 H LYS 14 -6.687 -0.436 -0.854
91 HA LYS 14 HA LYS 14 -7.559 -1.573 1.670
92 HB2 LYS 14 1HB LYS 14 -6.398 0.606 2.199
93 HB3 LYS 14 2HB LYS 14 -7.669 1.418 1.271
94 HG2 LYS 14 1HG LYS 14 -9.273 0.105 2.878
95 HG3 LYS 14 2HG LYS 14 -7.833 0.052 3.911
96 HD2 LYS 14 1HD LYS 14 -7.693 2.607 3.423
97 HD3 LYS 14 2HD LYS 14 -9.397 2.425 2.970
98 HE2 LYS 14 1HE LYS 14 -9.469 1.121 5.305
99 HE3 LYS 14 2HE LYS 14 -8.103 2.199 5.629
100 HZ1 LYS 14 3HZ LYS 14 -10.294 3.113 6.288
101 HZ2 LYS 14 1HZ LYS 14 -10.744 3.139 4.657
102 HZ3 LYS 14 2HZ LYS 14 -9.456 4.094 5.194
103 HA PRO 15 HA PRO 15 -10.799 -1.236 -1.655
104 HB2 PRO 15 1HB PRO 15 -11.562 -3.863 -1.529
105 HB3 PRO 15 2HB PRO 15 -10.239 -3.281 -2.538
106 HG2 PRO 15 1HG PRO 15 -10.145 -4.533 0.186
107 HG3 PRO 15 2HG PRO 15 -9.124 -4.874 -1.262
108 HD2 PRO 15 1HD PRO 15 -8.265 -3.343 0.809
109 HD3 PRO 15 2HD PRO 15 -7.783 -3.041 -0.868
110 H ASN 16 H ASN 16 -12.816 -0.647 -1.138
111 HA ASN 16 HA ASN 16 -13.732 -0.696 1.536
112 HB2 ASN 16 1HB ASN 16 -15.122 -0.058 -1.076
113 HB3 ASN 16 2HB ASN 16 -15.905 0.105 0.502
114 HD21 ASN 16 1HD2 ASN 16 -15.285 2.141 -1.484
115 HD22 ASN 16 2HD2 ASN 16 -14.302 3.312 -0.680
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -7.114 4.371 -3.704
2 HA2 GLY 1 2HA GLY 1 -8.568 2.968 -1.712
3 HA3 GLY 1 3HA GLY 1 -8.807 2.210 -3.280
4 H CYS 2 H CYS 2 -6.326 2.510 -4.432
5 HA CYS 2 HA CYS 2 -4.561 1.033 -2.591
6 HB2 CYS 2 1HB CYS 2 -5.198 0.523 -5.491
7 HB3 CYS 2 2HB CYS 2 -3.732 -0.122 -4.730
8 H TRP 3 H TRP 3 -2.420 1.559 -2.588
9 HA TRP 3 HA TRP 3 -1.175 3.106 -4.628
10 HB2 TRP 3 1HB TRP 3 -0.859 5.187 -3.494
11 HB3 TRP 3 2HB TRP 3 -2.587 4.836 -3.473
12 HD1 TRP 3 HD TRP 3 0.304 5.491 -1.169
13 HE1 TRP 3 1HE TRP 3 -0.501 5.415 1.275
14 HE3 TRP 3 3HE TRP 3 -4.365 3.547 -1.914
15 HZ2 TRP 3 2HZ TRP 3 -2.811 4.634 2.698
16 HZ3 TRP 3 3HZ TRP 3 -5.809 3.164 0.042
17 HH2 TRP 3 HH TRP 3 -5.046 3.696 2.299
18 HA PRO 4 HA PRO 4 2.389 1.347 -2.761
19 HB2 PRO 4 1HB PRO 4 4.323 3.083 -3.627
20 HB3 PRO 4 2HB PRO 4 3.518 1.919 -4.678
21 HG2 PRO 4 1HG PRO 4 2.935 4.832 -4.264
22 HG3 PRO 4 2HG PRO 4 3.046 3.899 -5.802
23 HD2 PRO 4 1HD PRO 4 0.674 4.569 -4.664
24 HD3 PRO 4 2HD PRO 4 0.912 3.060 -5.563
25 H VAL 5 H VAL 5 4.094 1.732 -1.199
26 HA VAL 5 HA VAL 5 3.853 4.202 0.358
27 HB VAL 5 HB VAL 5 3.951 2.794 2.469
28 HG11 VAL 5 1HG1 VAL 5 1.471 2.711 0.756
29 HG12 VAL 5 2HG1 VAL 5 1.508 2.425 2.497
30 HG13 VAL 5 3HG1 VAL 5 1.954 4.005 1.852
31 HG21 VAL 5 3HG2 VAL 5 4.521 0.692 1.159
32 HG22 VAL 5 1HG2 VAL 5 3.299 0.530 2.420
33 HG23 VAL 5 2HG2 VAL 5 2.812 0.623 0.727
34 HA PRO 6 HA PRO 6 8.238 3.963 0.559
35 HB2 PRO 6 1HB PRO 6 8.695 5.379 2.860
36 HB3 PRO 6 2HB PRO 6 8.182 6.121 1.346
37 HG2 PRO 6 1HG PRO 6 6.539 5.312 3.721
38 HG3 PRO 6 2HG PRO 6 6.484 6.839 2.764
39 HD2 PRO 6 1HD PRO 6 4.679 4.836 2.435
40 HD3 PRO 6 2HD PRO 6 5.225 5.862 1.098
41 H TYR 7 H TYR 7 7.144 1.563 1.357
42 HA TYR 7 HA TYR 7 9.123 0.391 2.872
43 HB2 TYR 7 1HB TYR 7 7.746 -0.080 4.999
44 HB3 TYR 7 2HB TYR 7 8.533 1.493 4.851
45 HD1 TYR 7 1HD TYR 7 5.253 -0.178 4.269
46 HD2 TYR 7 2HD TYR 7 7.304 3.456 5.099
47 HE1 TYR 7 1HE TYR 7 3.096 0.954 4.612
48 HE2 TYR 7 2HE TYR 7 5.153 4.598 5.446
49 HH TYR 7 HH TYR 7 2.098 3.002 4.780
50 HA PRO 8 HA PRO 8 7.051 -3.167 1.344
51 HB2 PRO 8 1HB PRO 8 8.124 -5.098 2.962
52 HB3 PRO 8 2HB PRO 8 9.025 -4.296 1.678
53 HG2 PRO 8 1HG PRO 8 8.970 -3.707 4.618
54 HG3 PRO 8 2HG PRO 8 10.384 -3.819 3.503
55 HD2 PRO 8 1HD PRO 8 9.335 -1.447 4.303
56 HD3 PRO 8 2HD PRO 8 10.043 -1.688 2.697
57 HA PRO 9 HA PRO 9 5.791 -4.635 0.759
58 HB2 PRO 9 1HB PRO 9 3.168 -4.400 0.003
59 HB3 PRO 9 2HB PRO 9 3.822 -5.817 0.823
60 HG2 PRO 9 1HG PRO 9 2.343 -3.471 1.966
61 HG3 PRO 9 2HG PRO 9 2.118 -5.230 2.293
62 HD2 PRO 9 1HD PRO 9 3.460 -3.584 3.984
63 HD3 PRO 9 2HD PRO 9 3.899 -5.286 3.755
64 H PHE 10 H PHE 10 6.355 -3.294 -0.841
65 HA PHE 10 HA PHE 10 6.194 -0.510 -0.609
66 HB2 PHE 10 1HB PHE 10 6.726 -2.272 -3.012
67 HB3 PHE 10 2HB PHE 10 6.893 -0.516 -3.037
68 HD1 PHE 10 1HD PHE 10 8.628 0.607 -1.709
69 HD2 PHE 10 2HD PHE 10 8.388 -3.635 -1.957
70 HE1 PHE 10 1HE PHE 10 10.931 0.430 -0.859
71 HE2 PHE 10 2HE PHE 10 10.689 -3.819 -1.106
72 HZ PHE 10 HZ PHE 10 11.963 -1.785 -0.555
73 H PHE 11 H PHE 11 3.897 -2.782 -1.707
74 HA PHE 11 HA PHE 11 2.294 -0.638 -2.938
75 HB2 PHE 11 1HB PHE 11 1.002 -2.631 -3.946
76 HB3 PHE 11 2HB PHE 11 2.589 -2.246 -4.615
77 HD1 PHE 11 1HD PHE 11 4.517 -3.670 -4.206
78 HD2 PHE 11 2HD PHE 11 0.666 -4.667 -2.690
79 HE1 PHE 11 1HE PHE 11 5.284 -5.967 -3.778
80 HE2 PHE 11 2HE PHE 11 1.429 -6.967 -2.258
81 HZ PHE 11 HZ PHE 11 3.739 -7.619 -2.802
82 H ASP 12 H ASP 12 0.563 0.014 -1.857
83 HA ASP 12 HA ASP 12 -0.507 -1.732 0.259
84 HB2 ASP 12 1HB ASP 12 0.486 0.696 0.666
85 HB3 ASP 12 2HB ASP 12 -1.137 1.186 0.161
86 H CYS 13 H CYS 13 -2.829 -1.648 0.638
87 HA CYS 13 HA CYS 13 -4.523 -0.615 -1.462
88 HB2 CYS 13 1HB CYS 13 -3.839 -3.496 -1.209
89 HB3 CYS 13 2HB CYS 13 -5.528 -3.093 -1.560
90 H LYS 14 H LYS 14 -6.649 -0.392 -0.837
91 HA LYS 14 HA LYS 14 -7.638 -1.645 1.565
92 HB2 LYS 14 1HB LYS 14 -6.258 0.330 2.343
93 HB3 LYS 14 2HB LYS 14 -7.441 1.367 1.529
94 HG2 LYS 14 1HG LYS 14 -8.528 1.398 3.472
95 HG3 LYS 14 2HG LYS 14 -9.029 -0.255 3.069
96 HD2 LYS 14 1HD LYS 14 -6.698 -0.878 4.141
97 HD3 LYS 14 2HD LYS 14 -6.917 0.683 4.951
98 HE2 LYS 14 1HE LYS 14 -9.013 -0.023 5.904
99 HE3 LYS 14 2HE LYS 14 -8.977 -1.517 4.956
100 HZ1 LYS 14 3HZ LYS 14 -8.005 -1.177 7.494
101 HZ2 LYS 14 1HZ LYS 14 -6.617 -1.222 6.526
102 HZ3 LYS 14 2HZ LYS 14 -7.723 -2.502 6.480
103 HA PRO 15 HA PRO 15 -10.761 -0.553 -1.717
104 HB2 PRO 15 1HB PRO 15 -11.774 -3.086 -1.959
105 HB3 PRO 15 2HB PRO 15 -10.383 -2.504 -2.870
106 HG2 PRO 15 1HG PRO 15 -10.458 -4.121 -0.347
107 HG3 PRO 15 2HG PRO 15 -9.448 -4.357 -1.821
108 HD2 PRO 15 1HD PRO 15 -8.487 -3.213 0.446
109 HD3 PRO 15 2HD PRO 15 -7.947 -2.733 -1.172
110 H ASN 16 H ASN 16 -13.025 -0.429 -1.476
111 HA ASN 16 HA ASN 16 -14.057 -1.228 1.163
112 HB2 ASN 16 1HB ASN 16 -13.661 1.160 1.225
113 HB3 ASN 16 2HB ASN 16 -14.533 1.377 -0.297
114 HD21 ASN 16 1HD2 ASN 16 -14.796 1.006 3.098
115 HD22 ASN 16 2HD2 ASN 16 -16.511 1.185 3.210
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.390 4.825 -3.394
2 HA2 GLY 1 2HA GLY 1 -8.796 2.518 -1.972
3 HA3 GLY 1 3HA GLY 1 -8.565 2.552 -3.714
4 H CYS 2 H CYS 2 -6.294 2.532 -4.484
5 HA CYS 2 HA CYS 2 -4.548 1.044 -2.634
6 HB2 CYS 2 1HB CYS 2 -5.174 0.522 -5.534
7 HB3 CYS 2 2HB CYS 2 -3.714 -0.123 -4.765
8 H TRP 3 H TRP 3 -2.405 1.564 -2.627
9 HA TRP 3 HA TRP 3 -1.148 3.098 -4.669
10 HB2 TRP 3 1HB TRP 3 -0.831 5.184 -3.545
11 HB3 TRP 3 2HB TRP 3 -2.561 4.837 -3.528
12 HD1 TRP 3 HD TRP 3 0.323 5.498 -1.217
13 HE1 TRP 3 1HE TRP 3 -0.493 5.437 1.224
14 HE3 TRP 3 3HE TRP 3 -4.348 3.562 -1.969
15 HZ2 TRP 3 2HZ TRP 3 -2.809 4.669 2.642
16 HZ3 TRP 3 3HZ TRP 3 -5.801 3.194 -0.018
17 HH2 TRP 3 HH TRP 3 -5.045 3.737 2.240
18 HA PRO 4 HA PRO 4 2.403 1.339 -2.777
19 HB2 PRO 4 1HB PRO 4 4.346 3.063 -3.644
20 HB3 PRO 4 2HB PRO 4 3.542 1.897 -4.693
21 HG2 PRO 4 1HG PRO 4 2.964 4.813 -4.297
22 HG3 PRO 4 2HG PRO 4 3.079 3.871 -5.830
23 HD2 PRO 4 1HD PRO 4 0.704 4.554 -4.705
24 HD3 PRO 4 2HD PRO 4 0.943 3.039 -5.595
25 H VAL 5 H VAL 5 4.100 1.726 -1.208
26 HA VAL 5 HA VAL 5 3.861 4.207 0.333
27 HB VAL 5 HB VAL 5 3.945 2.810 2.453
28 HG11 VAL 5 1HG1 VAL 5 1.940 3.907 2.159
29 HG12 VAL 5 2HG1 VAL 5 1.572 3.057 0.657
30 HG13 VAL 5 3HG1 VAL 5 1.414 2.225 2.205
31 HG21 VAL 5 3HG2 VAL 5 3.291 0.547 2.414
32 HG22 VAL 5 1HG2 VAL 5 2.808 0.633 0.721
33 HG23 VAL 5 2HG2 VAL 5 4.517 0.699 1.156
34 HA PRO 6 HA PRO 6 8.242 3.957 0.554
35 HB2 PRO 6 1HB PRO 6 8.695 5.383 2.848
36 HB3 PRO 6 2HB PRO 6 8.190 6.120 1.329
37 HG2 PRO 6 1HG PRO 6 6.535 5.328 3.702
38 HG3 PRO 6 2HG PRO 6 6.488 6.850 2.736
39 HD2 PRO 6 1HD PRO 6 4.679 4.851 2.411
40 HD3 PRO 6 2HD PRO 6 5.233 5.868 1.070
41 H TYR 7 H TYR 7 7.140 1.564 1.361
42 HA TYR 7 HA TYR 7 9.110 0.396 2.890
43 HB2 TYR 7 1HB TYR 7 7.721 -0.059 5.015
44 HB3 TYR 7 2HB TYR 7 8.514 1.509 4.861
45 HD1 TYR 7 2HD TYR 7 5.232 -0.155 4.276
46 HD2 TYR 7 1HD TYR 7 7.291 3.478 5.094
47 HE1 TYR 7 2HE TYR 7 3.078 0.987 4.604
48 HE2 TYR 7 1HE TYR 7 5.142 4.629 5.426
49 HH TYR 7 HH TYR 7 2.832 4.086 5.990
50 HA PRO 8 HA PRO 8 7.036 -3.166 1.373
51 HB2 PRO 8 1HB PRO 8 8.096 -5.091 3.007
52 HB3 PRO 8 2HB PRO 8 9.004 -4.297 1.722
53 HG2 PRO 8 1HG PRO 8 8.939 -3.693 4.658
54 HG3 PRO 8 2HG PRO 8 10.357 -3.814 3.551
55 HD2 PRO 8 1HD PRO 8 9.310 -1.436 4.333
56 HD3 PRO 8 2HD PRO 8 10.025 -1.686 2.731
57 HA PRO 9 HA PRO 9 5.774 -4.633 0.791
58 HB2 PRO 9 1HB PRO 9 3.156 -4.394 0.022
59 HB3 PRO 9 2HB PRO 9 3.802 -5.809 0.854
60 HG2 PRO 9 1HG PRO 9 2.325 -3.453 1.975
61 HG3 PRO 9 2HG PRO 9 2.092 -5.209 2.312
62 HD2 PRO 9 1HD PRO 9 3.432 -3.559 4.001
63 HD3 PRO 9 2HD PRO 9 3.868 -5.263 3.781
64 H PHE 10 H PHE 10 6.349 -3.303 -0.814
65 HA PHE 10 HA PHE 10 6.195 -0.517 -0.598
66 HB2 PHE 10 1HB PHE 10 6.733 -2.295 -2.988
67 HB3 PHE 10 2HB PHE 10 6.903 -0.538 -3.023
68 HD1 PHE 10 2HD PHE 10 8.268 0.311 -0.770
69 HD2 PHE 10 1HD PHE 10 8.752 -3.377 -2.839
70 HE1 PHE 10 2HE PHE 10 10.565 0.133 0.093
71 HE2 PHE 10 1HE PHE 10 11.050 -3.562 -1.979
72 HZ PHE 10 HZ PHE 10 11.960 -1.805 -0.511
73 H PHE 11 H PHE 11 3.896 -2.789 -1.693
74 HA PHE 11 HA PHE 11 2.304 -0.647 -2.943
75 HB2 PHE 11 1HB PHE 11 1.012 -2.641 -3.945
76 HB3 PHE 11 2HB PHE 11 2.602 -2.265 -4.611
77 HD1 PHE 11 2HD PHE 11 0.688 -4.652 -2.616
78 HD2 PHE 11 1HD PHE 11 4.503 -3.710 -4.251
79 HE1 PHE 11 2HE PHE 11 1.443 -6.950 -2.169
80 HE2 PHE 11 1HE PHE 11 5.264 -6.008 -3.808
81 HZ PHE 11 HZ PHE 11 3.734 -7.631 -2.763
82 H ASP 12 H ASP 12 0.572 0.015 -1.873
83 HA ASP 12 HA ASP 12 -0.514 -1.715 0.246
84 HB2 ASP 12 1HB ASP 12 0.483 0.712 0.646
85 HB3 ASP 12 2HB ASP 12 -1.136 1.202 0.131
86 H CYS 13 H CYS 13 -2.837 -1.626 0.616
87 HA CYS 13 HA CYS 13 -4.519 -0.598 -1.497
88 HB2 CYS 13 1HB CYS 13 -3.844 -3.481 -1.228
89 HB3 CYS 13 2HB CYS 13 -5.530 -3.075 -1.588
90 H LYS 14 H LYS 14 -6.665 -0.408 -0.898
91 HA LYS 14 HA LYS 14 -7.524 -1.536 1.648
92 HB2 LYS 14 1HB LYS 14 -6.435 0.731 2.043
93 HB3 LYS 14 2HB LYS 14 -7.794 1.425 1.146
94 HG2 LYS 14 1HG LYS 14 -9.042 -0.191 3.000
95 HG3 LYS 14 2HG LYS 14 -7.666 0.481 3.890
96 HD2 LYS 14 1HD LYS 14 -8.368 2.690 3.578
97 HD3 LYS 14 2HD LYS 14 -9.430 2.250 2.232
98 HE2 LYS 14 1HE LYS 14 -9.998 1.035 4.893
99 HE3 LYS 14 2HE LYS 14 -10.365 2.751 4.669
100 HZ1 LYS 14 3HZ LYS 14 -12.187 2.211 3.560
101 HZ2 LYS 14 1HZ LYS 14 -11.884 0.573 3.858
102 HZ3 LYS 14 2HZ LYS 14 -11.302 1.297 2.444
103 HA PRO 15 HA PRO 15 -10.772 -1.468 -1.681
104 HB2 PRO 15 1HB PRO 15 -11.457 -4.106 -1.411
105 HB3 PRO 15 2HB PRO 15 -10.150 -3.542 -2.450
106 HG2 PRO 15 1HG PRO 15 -10.024 -4.641 0.336
107 HG3 PRO 15 2HG PRO 15 -8.991 -5.028 -1.089
108 HD2 PRO 15 1HD PRO 15 -8.182 -3.362 0.896
109 HD3 PRO 15 2HD PRO 15 -7.706 -3.137 -0.796
110 H ASN 16 H ASN 16 -12.847 -0.998 -1.239
111 HA ASN 16 HA ASN 16 -13.866 -1.682 1.439
112 HB2 ASN 16 1HB ASN 16 -13.514 0.744 1.054
113 HB3 ASN 16 2HB ASN 16 -14.643 0.668 -0.302
114 HD21 ASN 16 1HD2 ASN 16 -14.701 -0.695 2.972
115 HD22 ASN 16 2HD2 ASN 16 -16.228 -0.018 3.410
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -7.646 4.122 -1.229
2 HA2 GLY 1 2HA GLY 1 -8.884 2.130 -2.958
3 HA3 GLY 1 3HA GLY 1 -8.040 3.441 -3.769
4 H CYS 2 H CYS 2 -6.256 2.522 -4.581
5 HA CYS 2 HA CYS 2 -4.521 1.051 -2.707
6 HB2 CYS 2 1HB CYS 2 -5.127 0.521 -5.609
7 HB3 CYS 2 2HB CYS 2 -3.673 -0.125 -4.827
8 H TRP 3 H TRP 3 -2.377 1.568 -2.684
9 HA TRP 3 HA TRP 3 -1.101 3.091 -4.722
10 HB2 TRP 3 1HB TRP 3 -0.787 5.180 -3.604
11 HB3 TRP 3 2HB TRP 3 -2.518 4.838 -3.600
12 HD1 TRP 3 HD TRP 3 0.348 5.501 -1.267
13 HE1 TRP 3 1HE TRP 3 -0.486 5.450 1.166
14 HE3 TRP 3 3HE TRP 3 -4.321 3.571 -2.049
15 HZ2 TRP 3 2HZ TRP 3 -2.816 4.692 2.570
16 HZ3 TRP 3 3HZ TRP 3 -5.790 3.213 -0.108
17 HH2 TRP 3 HH TRP 3 -5.050 3.762 2.153
18 HA PRO 4 HA PRO 4 2.432 1.332 -2.796
19 HB2 PRO 4 1HB PRO 4 4.384 3.049 -3.654
20 HB3 PRO 4 2HB PRO 4 3.587 1.881 -4.705
21 HG2 PRO 4 1HG PRO 4 3.011 4.800 -4.324
22 HG3 PRO 4 2HG PRO 4 3.137 3.852 -5.853
23 HD2 PRO 4 1HD PRO 4 0.754 4.543 -4.748
24 HD3 PRO 4 2HD PRO 4 0.997 3.025 -5.632
25 H VAL 5 H VAL 5 4.116 1.721 -1.215
26 HA VAL 5 HA VAL 5 3.869 4.207 0.316
27 HB VAL 5 HB VAL 5 3.936 2.818 2.441
28 HG11 VAL 5 1HG1 VAL 5 1.385 2.191 2.083
29 HG12 VAL 5 2HG1 VAL 5 1.923 3.867 2.216
30 HG13 VAL 5 3HG1 VAL 5 1.609 3.163 0.629
31 HG21 VAL 5 3HG2 VAL 5 4.512 0.701 1.156
32 HG22 VAL 5 1HG2 VAL 5 3.273 0.556 2.404
33 HG23 VAL 5 2HG2 VAL 5 2.807 0.637 0.705
34 HA PRO 6 HA PRO 6 8.249 3.952 0.572
35 HB2 PRO 6 1HB PRO 6 8.687 5.384 2.866
36 HB3 PRO 6 2HB PRO 6 8.195 6.117 1.340
37 HG2 PRO 6 1HG PRO 6 6.519 5.335 3.702
38 HG3 PRO 6 2HG PRO 6 6.483 6.853 2.730
39 HD2 PRO 6 1HD PRO 6 4.674 4.858 2.397
40 HD3 PRO 6 2HD PRO 6 5.240 5.868 1.059
41 H TYR 7 H TYR 7 7.135 1.564 1.379
42 HA TYR 7 HA TYR 7 9.091 0.396 2.927
43 HB2 TYR 7 1HB TYR 7 7.687 -0.050 5.042
44 HB3 TYR 7 2HB TYR 7 8.482 1.518 4.889
45 HD1 TYR 7 1HD TYR 7 5.202 -0.143 4.283
46 HD2 TYR 7 2HD TYR 7 7.260 3.489 5.106
47 HE1 TYR 7 1HE TYR 7 3.047 1.002 4.590
48 HE2 TYR 7 2HE TYR 7 5.111 4.643 5.416
49 HH TYR 7 HH TYR 7 2.898 4.478 5.299
50 HA PRO 8 HA PRO 8 7.022 -3.168 1.406
51 HB2 PRO 8 1HB PRO 8 8.066 -5.089 3.055
52 HB3 PRO 8 2HB PRO 8 8.987 -4.301 1.775
53 HG2 PRO 8 1HG PRO 8 8.897 -3.685 4.708
54 HG3 PRO 8 2HG PRO 8 10.325 -3.815 3.613
55 HD2 PRO 8 1HD PRO 8 9.277 -1.430 4.379
56 HD3 PRO 8 2HD PRO 8 10.004 -1.688 2.783
57 HA PRO 9 HA PRO 9 5.763 -4.634 0.819
58 HB2 PRO 9 1HB PRO 9 3.151 -4.392 0.028
59 HB3 PRO 9 2HB PRO 9 3.787 -5.806 0.870
60 HG2 PRO 9 1HG PRO 9 2.306 -3.443 1.974
61 HG3 PRO 9 2HG PRO 9 2.068 -5.198 2.313
62 HD2 PRO 9 1HD PRO 9 3.397 -3.544 4.006
63 HD3 PRO 9 2HD PRO 9 3.831 -5.249 3.797
64 H PHE 10 H PHE 10 6.352 -3.310 -0.786
65 HA PHE 10 HA PHE 10 6.202 -0.523 -0.580
66 HB2 PHE 10 1HB PHE 10 6.756 -2.311 -2.959
67 HB3 PHE 10 2HB PHE 10 6.930 -0.555 -3.000
68 HD1 PHE 10 2HD PHE 10 8.712 0.571 -1.811
69 HD2 PHE 10 1HD PHE 10 8.339 -3.668 -1.719
70 HE1 PHE 10 2HE PHE 10 11.003 0.392 -0.931
71 HE2 PHE 10 1HE PHE 10 10.628 -3.854 -0.838
72 HZ PHE 10 HZ PHE 10 11.965 -1.823 -0.444
73 H PHE 11 H PHE 11 3.907 -2.794 -1.686
74 HA PHE 11 HA PHE 11 2.331 -0.655 -2.956
75 HB2 PHE 11 1HB PHE 11 1.042 -2.650 -3.962
76 HB3 PHE 11 2HB PHE 11 2.638 -2.278 -4.615
77 HD1 PHE 11 2HD PHE 11 0.709 -4.648 -2.608
78 HD2 PHE 11 1HD PHE 11 4.526 -3.733 -4.256
79 HE1 PHE 11 2HE PHE 11 1.456 -6.946 -2.146
80 HE2 PHE 11 1HE PHE 11 5.278 -6.031 -3.797
81 HZ PHE 11 HZ PHE 11 3.743 -7.640 -2.740
82 H ASP 12 H ASP 12 0.591 0.016 -1.901
83 HA ASP 12 HA ASP 12 -0.515 -1.705 0.216
84 HB2 ASP 12 1HB ASP 12 0.484 0.721 0.614
85 HB3 ASP 12 2HB ASP 12 -1.130 1.214 0.085
86 H CYS 13 H CYS 13 -2.840 -1.610 0.566
87 HA CYS 13 HA CYS 13 -4.503 -0.586 -1.563
88 HB2 CYS 13 1HB CYS 13 -3.835 -3.468 -1.279
89 HB3 CYS 13 2HB CYS 13 -5.518 -3.062 -1.653
90 H LYS 14 H LYS 14 -6.650 -0.379 -0.978
91 HA LYS 14 HA LYS 14 -7.682 -1.606 1.410
92 HB2 LYS 14 1HB LYS 14 -6.312 0.286 2.293
93 HB3 LYS 14 2HB LYS 14 -7.343 1.398 1.379
94 HG2 LYS 14 1HG LYS 14 -8.079 1.379 3.656
95 HG3 LYS 14 2HG LYS 14 -9.297 0.566 2.659
96 HD2 LYS 14 1HD LYS 14 -9.176 -1.182 4.035
97 HD3 LYS 14 2HD LYS 14 -7.524 -1.448 3.452
98 HE2 LYS 14 1HE LYS 14 -6.554 -0.442 5.279
99 HE3 LYS 14 2HE LYS 14 -7.955 0.600 5.566
100 HZ1 LYS 14 3HZ LYS 14 -7.941 -0.971 7.294
101 HZ2 LYS 14 1HZ LYS 14 -7.663 -2.267 6.243
102 HZ3 LYS 14 2HZ LYS 14 -9.163 -1.486 6.243
103 HA PRO 15 HA PRO 15 -10.737 -0.433 -1.909
104 HB2 PRO 15 1HB PRO 15 -11.788 -2.947 -2.190
105 HB3 PRO 15 2HB PRO 15 -10.373 -2.378 -3.075
106 HG2 PRO 15 1HG PRO 15 -10.512 -4.017 -0.568
107 HG3 PRO 15 2HG PRO 15 -9.485 -4.256 -2.030
108 HD2 PRO 15 1HD PRO 15 -8.538 -3.152 0.262
109 HD3 PRO 15 2HD PRO 15 -7.966 -2.664 -1.343
110 H ASN 16 H ASN 16 -12.966 -0.181 -1.660
111 HA ASN 16 HA ASN 16 -14.061 -1.016 0.945
112 HB2 ASN 16 1HB ASN 16 -13.640 1.355 1.050
113 HB3 ASN 16 2HB ASN 16 -14.438 1.610 -0.507
114 HD21 ASN 16 1HD2 ASN 16 -15.004 0.541 2.802
115 HD22 ASN 16 2HD2 ASN 16 -16.662 1.024 2.866
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -10.173 2.449 -3.185
2 HA2 GLY 1 2HA GLY 1 -7.950 3.808 -3.794
3 HA3 GLY 1 3HA GLY 1 -8.481 3.643 -2.127
4 H CYS 2 H CYS 2 -6.146 2.734 -4.485
5 HA CYS 2 HA CYS 2 -4.605 1.375 -2.385
6 HB2 CYS 2 1HB CYS 2 -4.657 0.445 -5.256
7 HB3 CYS 2 2HB CYS 2 -3.910 -0.367 -3.868
8 H TRP 3 H TRP 3 -2.586 2.105 -2.189
9 HA TRP 3 HA TRP 3 -1.221 3.286 -4.474
10 HB2 TRP 3 1HB TRP 3 -0.730 5.374 -3.413
11 HB3 TRP 3 2HB TRP 3 -2.476 5.136 -3.330
12 HD1 TRP 3 HD TRP 3 0.491 5.751 -1.142
13 HE1 TRP 3 1HE TRP 3 -0.229 5.764 1.329
14 HE3 TRP 3 3HE TRP 3 -4.243 3.895 -1.668
15 HZ2 TRP 3 2HZ TRP 3 -2.504 5.078 2.853
16 HZ3 TRP 3 3HZ TRP 3 -5.626 3.604 0.346
17 HH2 TRP 3 HH TRP 3 -4.773 4.183 2.559
18 HA PRO 4 HA PRO 4 2.295 1.362 -2.679
19 HB2 PRO 4 1HB PRO 4 4.299 2.949 -3.664
20 HB3 PRO 4 2HB PRO 4 3.387 1.808 -4.650
21 HG2 PRO 4 1HG PRO 4 2.998 4.763 -4.306
22 HG3 PRO 4 2HG PRO 4 2.996 3.781 -5.817
23 HD2 PRO 4 1HD PRO 4 0.713 4.628 -4.618
24 HD3 PRO 4 2HD PRO 4 0.825 3.084 -5.479
25 H VAL 5 H VAL 5 4.181 1.759 -1.271
26 HA VAL 5 HA VAL 5 4.118 4.258 0.240
27 HB VAL 5 HB VAL 5 4.211 2.918 2.396
28 HG11 VAL 5 1HG1 VAL 5 1.828 2.882 2.636
29 HG12 VAL 5 2HG1 VAL 5 2.255 4.248 1.603
30 HG13 VAL 5 3HG1 VAL 5 1.604 2.771 0.891
31 HG21 VAL 5 3HG2 VAL 5 2.845 0.772 0.797
32 HG22 VAL 5 1HG2 VAL 5 4.578 0.741 1.119
33 HG23 VAL 5 2HG2 VAL 5 3.431 0.701 2.458
34 HA PRO 6 HA PRO 6 8.482 3.733 0.271
35 HB2 PRO 6 1HB PRO 6 9.130 5.211 2.484
36 HB3 PRO 6 2HB PRO 6 8.602 5.922 0.960
37 HG2 PRO 6 1HG PRO 6 7.010 5.328 3.432
38 HG3 PRO 6 2HG PRO 6 7.015 6.812 2.408
39 HD2 PRO 6 1HD PRO 6 5.071 4.925 2.242
40 HD3 PRO 6 2HD PRO 6 5.626 5.852 0.839
41 H TYR 7 H TYR 7 7.271 1.448 1.218
42 HA TYR 7 HA TYR 7 9.231 0.214 2.710
43 HB2 TYR 7 1HB TYR 7 7.914 -0.075 4.905
44 HB3 TYR 7 2HB TYR 7 8.789 1.437 4.657
45 HD1 TYR 7 2HD TYR 7 5.394 -0.047 4.284
46 HD2 TYR 7 1HD TYR 7 7.696 3.485 4.855
47 HE1 TYR 7 2HE TYR 7 3.327 1.232 4.656
48 HE2 TYR 7 1HE TYR 7 5.635 4.775 5.230
49 HH TYR 7 HH TYR 7 3.253 4.633 4.702
50 HA PRO 8 HA PRO 8 6.873 -3.258 1.410
51 HB2 PRO 8 1HB PRO 8 7.904 -5.193 3.052
52 HB3 PRO 8 2HB PRO 8 8.788 -4.494 1.697
53 HG2 PRO 8 1HG PRO 8 8.913 -3.796 4.610
54 HG3 PRO 8 2HG PRO 8 10.261 -4.039 3.438
55 HD2 PRO 8 1HD PRO 8 9.399 -1.578 4.192
56 HD3 PRO 8 2HD PRO 8 10.011 -1.920 2.565
57 HA PRO 9 HA PRO 9 5.501 -4.666 0.944
58 HB2 PRO 9 1HB PRO 9 2.865 -4.297 0.299
59 HB3 PRO 9 2HB PRO 9 3.470 -5.721 1.146
60 HG2 PRO 9 1HG PRO 9 2.192 -3.246 2.259
61 HG3 PRO 9 2HG PRO 9 1.876 -4.974 2.667
62 HD2 PRO 9 1HD PRO 9 3.395 -3.352 4.228
63 HD3 PRO 9 2HD PRO 9 3.720 -5.086 4.046
64 H PHE 10 H PHE 10 6.062 -3.427 -0.737
65 HA PHE 10 HA PHE 10 6.081 -0.630 -0.610
66 HB2 PHE 10 1HB PHE 10 6.391 -2.512 -2.960
67 HB3 PHE 10 2HB PHE 10 6.660 -0.771 -3.065
68 HD1 PHE 10 1HD PHE 10 8.415 0.273 -1.542
69 HD2 PHE 10 2HD PHE 10 8.123 -3.914 -2.250
70 HE1 PHE 10 1HE PHE 10 10.741 -0.013 -0.790
71 HE2 PHE 10 2HE PHE 10 10.447 -4.207 -1.498
72 HZ PHE 10 HZ PHE 10 11.759 -2.256 -0.767
73 H PHE 11 H PHE 11 3.597 -2.792 -1.494
74 HA PHE 11 HA PHE 11 2.079 -0.616 -2.772
75 HB2 PHE 11 1HB PHE 11 0.596 -2.565 -3.571
76 HB3 PHE 11 2HB PHE 11 2.169 -2.354 -4.341
77 HD1 PHE 11 1HD PHE 11 4.001 -3.894 -3.925
78 HD2 PHE 11 2HD PHE 11 0.174 -4.476 -2.155
79 HE1 PHE 11 1HE PHE 11 4.615 -6.212 -3.368
80 HE2 PHE 11 2HE PHE 11 0.783 -6.793 -1.594
81 HZ PHE 11 HZ PHE 11 3.006 -7.664 -2.200
82 H ASP 12 H ASP 12 0.481 0.245 -1.636
83 HA ASP 12 HA ASP 12 -0.649 -1.308 0.598
84 HB2 ASP 12 1HB ASP 12 0.661 0.980 0.907
85 HB3 ASP 12 2HB ASP 12 -0.912 1.664 0.479
86 H CYS 13 H CYS 13 -2.350 -2.275 -0.453
87 HA CYS 13 HA CYS 13 -4.310 -0.491 -1.733
88 HB2 CYS 13 1HB CYS 13 -3.407 -2.290 -3.154
89 HB3 CYS 13 2HB CYS 13 -4.014 -3.491 -2.001
90 H LYS 14 H LYS 14 -6.123 -0.076 -0.672
91 HA LYS 14 HA LYS 14 -7.483 -2.072 0.877
92 HB2 LYS 14 1HB LYS 14 -5.681 -1.174 2.420
93 HB3 LYS 14 2HB LYS 14 -6.537 0.375 2.367
94 HG2 LYS 14 1HG LYS 14 -8.333 -0.403 3.579
95 HG3 LYS 14 2HG LYS 14 -8.036 -2.089 3.121
96 HD2 LYS 14 1HD LYS 14 -6.718 -2.450 4.890
97 HD3 LYS 14 2HD LYS 14 -5.809 -0.955 4.601
98 HE2 LYS 14 1HE LYS 14 -6.746 -0.402 6.608
99 HE3 LYS 14 2HE LYS 14 -8.041 0.139 5.531
100 HZ1 LYS 14 3HZ LYS 14 -8.397 -1.533 7.588
101 HZ2 LYS 14 1HZ LYS 14 -8.205 -2.639 6.322
102 HZ3 LYS 14 2HZ LYS 14 -9.417 -1.463 6.240
103 HA PRO 15 HA PRO 15 -10.104 1.206 -1.105
104 HB2 PRO 15 1HB PRO 15 -11.801 -0.555 -2.336
105 HB3 PRO 15 2HB PRO 15 -10.282 -0.011 -3.046
106 HG2 PRO 15 1HG PRO 15 -10.875 -2.526 -1.524
107 HG3 PRO 15 2HG PRO 15 -9.946 -2.312 -3.054
108 HD2 PRO 15 1HD PRO 15 -8.742 -2.650 -0.644
109 HD3 PRO 15 2HD PRO 15 -8.053 -1.638 -1.926
110 H ASN 16 H ASN 16 -12.102 1.911 -0.410
111 HA ASN 16 HA ASN 16 -13.082 0.740 2.030
112 HB2 ASN 16 1HB ASN 16 -13.873 3.162 0.409
113 HB3 ASN 16 2HB ASN 16 -14.780 2.651 1.839
114 HD21 ASN 16 1HD2 ASN 16 -12.052 4.305 0.685
115 HD22 ASN 16 2HD2 ASN 16 -11.342 4.688 2.213
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -9.868 2.153 -2.992
2 HA2 GLY 1 2HA GLY 1 -8.159 3.166 -4.159
3 HA3 GLY 1 3HA GLY 1 -7.904 4.214 -2.772
4 H CYS 2 H CYS 2 -6.073 2.632 -4.602
5 HA CYS 2 HA CYS 2 -4.520 1.366 -2.446
6 HB2 CYS 2 1HB CYS 2 -4.582 0.369 -5.295
7 HB3 CYS 2 2HB CYS 2 -3.842 -0.419 -3.890
8 H TRP 3 H TRP 3 -2.579 2.243 -2.203
9 HA TRP 3 HA TRP 3 -1.172 3.310 -4.537
10 HB2 TRP 3 1HB TRP 3 -0.647 5.401 -3.470
11 HB3 TRP 3 2HB TRP 3 -2.397 5.191 -3.439
12 HD1 TRP 3 HD TRP 3 0.507 5.794 -1.171
13 HE1 TRP 3 1HE TRP 3 -0.284 5.830 1.278
14 HE3 TRP 3 3HE TRP 3 -4.222 3.963 -1.818
15 HZ2 TRP 3 2HZ TRP 3 -2.605 5.169 2.743
16 HZ3 TRP 3 3HZ TRP 3 -5.663 3.695 0.159
17 HH2 TRP 3 HH TRP 3 -4.869 4.285 2.391
18 HA PRO 4 HA PRO 4 2.338 1.386 -2.731
19 HB2 PRO 4 1HB PRO 4 4.348 2.949 -3.738
20 HB3 PRO 4 2HB PRO 4 3.425 1.805 -4.711
21 HG2 PRO 4 1HG PRO 4 3.055 4.765 -4.394
22 HG3 PRO 4 2HG PRO 4 3.042 3.768 -5.897
23 HD2 PRO 4 1HD PRO 4 0.769 4.641 -4.699
24 HD3 PRO 4 2HD PRO 4 0.869 3.087 -5.545
25 H VAL 5 H VAL 5 4.191 1.757 -1.302
26 HA VAL 5 HA VAL 5 4.172 4.284 0.168
27 HB VAL 5 HB VAL 5 4.235 2.968 2.342
28 HG11 VAL 5 1HG1 VAL 5 1.699 3.050 0.711
29 HG12 VAL 5 2HG1 VAL 5 1.763 2.801 2.457
30 HG13 VAL 5 3HG1 VAL 5 2.329 4.320 1.761
31 HG21 VAL 5 3HG2 VAL 5 3.392 0.769 2.423
32 HG22 VAL 5 1HG2 VAL 5 2.843 0.833 0.748
33 HG23 VAL 5 2HG2 VAL 5 4.568 0.768 1.109
34 HA PRO 6 HA PRO 6 8.527 3.686 0.225
35 HB2 PRO 6 1HB PRO 6 9.189 5.187 2.416
36 HB3 PRO 6 2HB PRO 6 8.681 5.883 0.878
37 HG2 PRO 6 1HG PRO 6 7.069 5.356 3.351
38 HG3 PRO 6 2HG PRO 6 7.104 6.823 2.305
39 HD2 PRO 6 1HD PRO 6 5.128 4.967 2.160
40 HD3 PRO 6 2HD PRO 6 5.705 5.862 0.745
41 H TYR 7 H TYR 7 7.273 1.437 1.202
42 HA TYR 7 HA TYR 7 9.206 0.195 2.723
43 HB2 TYR 7 1HB TYR 7 7.876 -0.036 4.917
44 HB3 TYR 7 2HB TYR 7 8.774 1.457 4.648
45 HD1 TYR 7 1HD TYR 7 5.359 0.017 4.284
46 HD2 TYR 7 2HD TYR 7 7.710 3.525 4.802
47 HE1 TYR 7 1HE TYR 7 3.308 1.334 4.626
48 HE2 TYR 7 2HE TYR 7 5.667 4.851 5.147
49 HH TYR 7 HH TYR 7 3.325 4.470 5.872
50 HA PRO 8 HA PRO 8 6.799 -3.258 1.467
51 HB2 PRO 8 1HB PRO 8 7.786 -5.182 3.147
52 HB3 PRO 8 2HB PRO 8 8.691 -4.522 1.785
53 HG2 PRO 8 1HG PRO 8 8.813 -3.777 4.688
54 HG3 PRO 8 2HG PRO 8 10.162 -4.061 3.527
55 HD2 PRO 8 1HD PRO 8 9.336 -1.574 4.234
56 HD3 PRO 8 2HD PRO 8 9.952 -1.954 2.618
57 HA PRO 9 HA PRO 9 5.404 -4.649 1.016
58 HB2 PRO 9 1HB PRO 9 2.778 -4.246 0.350
59 HB3 PRO 9 2HB PRO 9 3.355 -5.666 1.224
60 HG2 PRO 9 1HG PRO 9 2.112 -3.152 2.291
61 HG3 PRO 9 2HG PRO 9 1.766 -4.869 2.723
62 HD2 PRO 9 1HD PRO 9 3.304 -3.249 4.266
63 HD3 PRO 9 2HD PRO 9 3.600 -4.990 4.114
64 H PHE 10 H PHE 10 5.999 -3.444 -0.679
65 HA PHE 10 HA PHE 10 6.066 -0.648 -0.596
66 HB2 PHE 10 1HB PHE 10 6.352 -2.571 -2.916
67 HB3 PHE 10 2HB PHE 10 6.652 -0.837 -3.046
68 HD1 PHE 10 1HD PHE 10 8.323 0.147 -1.262
69 HD2 PHE 10 2HD PHE 10 8.152 -3.938 -2.442
70 HE1 PHE 10 1HE PHE 10 10.640 -0.168 -0.495
71 HE2 PHE 10 2HE PHE 10 10.468 -4.261 -1.676
72 HZ PHE 10 HZ PHE 10 11.714 -2.374 -0.700
73 H PHE 11 H PHE 11 3.550 -2.780 -1.467
74 HA PHE 11 HA PHE 11 2.071 -0.590 -2.767
75 HB2 PHE 11 1HB PHE 11 0.571 -2.526 -3.576
76 HB3 PHE 11 2HB PHE 11 2.151 -2.327 -4.336
77 HD1 PHE 11 1HD PHE 11 3.985 -3.868 -3.866
78 HD2 PHE 11 2HD PHE 11 0.107 -4.451 -2.211
79 HE1 PHE 11 1HE PHE 11 4.576 -6.191 -3.308
80 HE2 PHE 11 2HE PHE 11 0.693 -6.773 -1.649
81 HZ PHE 11 HZ PHE 11 2.929 -7.646 -2.197
82 H ASP 12 H ASP 12 0.471 0.288 -1.648
83 HA ASP 12 HA ASP 12 -0.670 -1.236 0.599
84 HB2 ASP 12 1HB ASP 12 0.606 1.077 0.860
85 HB3 ASP 12 2HB ASP 12 -0.975 1.728 0.405
86 H CYS 13 H CYS 13 -2.377 -2.242 -0.379
87 HA CYS 13 HA CYS 13 -4.339 -0.527 -1.748
88 HB2 CYS 13 1HB CYS 13 -3.375 -2.417 -3.051
89 HB3 CYS 13 2HB CYS 13 -4.097 -3.538 -1.883
90 H LYS 14 H LYS 14 -6.162 -0.085 -0.715
91 HA LYS 14 HA LYS 14 -6.971 -1.830 1.516
92 HB2 LYS 14 1HB LYS 14 -6.281 0.606 1.972
93 HB3 LYS 14 2HB LYS 14 -7.809 1.043 1.192
94 HG2 LYS 14 1HG LYS 14 -8.585 0.970 3.305
95 HG3 LYS 14 2HG LYS 14 -8.717 -0.762 2.952
96 HD2 LYS 14 1HD LYS 14 -6.273 -0.890 3.823
97 HD3 LYS 14 2HD LYS 14 -6.638 0.683 4.554
98 HE2 LYS 14 1HE LYS 14 -8.316 -0.196 5.934
99 HE3 LYS 14 2HE LYS 14 -8.466 -1.659 4.950
100 HZ1 LYS 14 3HZ LYS 14 -6.006 -1.018 6.468
101 HZ2 LYS 14 1HZ LYS 14 -6.447 -2.499 5.779
102 HZ3 LYS 14 2HZ LYS 14 -7.277 -1.915 7.132
103 HA PRO 15 HA PRO 15 -10.236 -2.205 -1.757
104 HB2 PRO 15 1HB PRO 15 -10.512 -4.919 -1.510
105 HB3 PRO 15 2HB PRO 15 -9.312 -4.152 -2.551
106 HG2 PRO 15 1HG PRO 15 -9.001 -5.243 0.225
107 HG3 PRO 15 2HG PRO 15 -7.930 -5.457 -1.210
108 HD2 PRO 15 1HD PRO 15 -7.371 -3.706 0.786
109 HD3 PRO 15 2HD PRO 15 -6.946 -3.396 -0.905
110 H ASN 16 H ASN 16 -12.447 -2.583 -1.466
111 HA ASN 16 HA ASN 16 -13.403 -3.576 1.088
112 HB2 ASN 16 1HB ASN 16 -14.797 -1.557 1.500
113 HB3 ASN 16 2HB ASN 16 -13.062 -1.240 1.622
114 HD21 ASN 16 1HD2 ASN 16 -12.322 0.469 0.601
115 HD22 ASN 16 2HD2 ASN 16 -13.088 1.275 -0.722
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -7.985 4.337 -1.494
2 HA2 GLY 1 2HA GLY 1 -8.864 2.304 -3.445
3 HA3 GLY 1 3HA GLY 1 -7.884 3.673 -3.945
4 H CYS 2 H CYS 2 -6.058 2.644 -4.585
5 HA CYS 2 HA CYS 2 -4.533 1.291 -2.472
6 HB2 CYS 2 1HB CYS 2 -4.596 0.318 -5.328
7 HB3 CYS 2 2HB CYS 2 -3.841 -0.474 -3.934
8 H TRP 3 H TRP 3 -2.596 2.175 -2.226
9 HA TRP 3 HA TRP 3 -1.197 3.268 -4.550
10 HB2 TRP 3 1HB TRP 3 -0.693 5.363 -3.479
11 HB3 TRP 3 2HB TRP 3 -2.443 5.136 -3.455
12 HD1 TRP 3 HD TRP 3 0.447 5.763 -1.174
13 HE1 TRP 3 1HE TRP 3 -0.355 5.788 1.273
14 HE3 TRP 3 3HE TRP 3 -4.263 3.889 -1.842
15 HZ2 TRP 3 2HZ TRP 3 -2.675 5.103 2.726
16 HZ3 TRP 3 3HZ TRP 3 -5.709 3.604 0.128
17 HH2 TRP 3 HH TRP 3 -4.930 4.199 2.364
18 HA PRO 4 HA PRO 4 2.326 1.373 -2.735
19 HB2 PRO 4 1HB PRO 4 4.324 2.954 -3.738
20 HB3 PRO 4 2HB PRO 4 3.414 1.802 -4.713
21 HG2 PRO 4 1HG PRO 4 3.016 4.759 -4.397
22 HG3 PRO 4 2HG PRO 4 3.016 3.762 -5.900
23 HD2 PRO 4 1HD PRO 4 0.730 4.615 -4.708
24 HD3 PRO 4 2HD PRO 4 0.848 3.061 -5.554
25 H VAL 5 H VAL 5 4.168 1.759 -1.299
26 HA VAL 5 HA VAL 5 4.124 4.286 0.169
27 HB VAL 5 HB VAL 5 4.191 2.970 2.344
28 HG11 VAL 5 1HG1 VAL 5 1.582 2.804 0.848
29 HG12 VAL 5 2HG1 VAL 5 1.823 3.004 2.585
30 HG13 VAL 5 3HG1 VAL 5 2.251 4.309 1.478
31 HG21 VAL 5 3HG2 VAL 5 3.363 0.765 2.422
32 HG22 VAL 5 1HG2 VAL 5 2.827 0.824 0.742
33 HG23 VAL 5 2HG2 VAL 5 4.549 0.773 1.117
34 HA PRO 6 HA PRO 6 8.483 3.723 0.240
35 HB2 PRO 6 1HB PRO 6 9.126 5.229 2.435
36 HB3 PRO 6 2HB PRO 6 8.618 5.922 0.895
37 HG2 PRO 6 1HG PRO 6 7.003 5.382 3.362
38 HG3 PRO 6 2HG PRO 6 7.029 6.848 2.316
39 HD2 PRO 6 1HD PRO 6 5.069 4.975 2.166
40 HD3 PRO 6 2HD PRO 6 5.642 5.876 0.752
41 H TYR 7 H TYR 7 7.246 1.464 1.214
42 HA TYR 7 HA TYR 7 9.184 0.237 2.740
43 HB2 TYR 7 1HB TYR 7 7.848 -0.007 4.928
44 HB3 TYR 7 2HB TYR 7 8.737 1.495 4.663
45 HD1 TYR 7 1HD TYR 7 5.333 0.028 4.289
46 HD2 TYR 7 2HD TYR 7 7.654 3.555 4.816
47 HE1 TYR 7 1HE TYR 7 3.272 1.327 4.625
48 HE2 TYR 7 2HE TYR 7 5.599 4.863 5.154
49 HH TYR 7 HH TYR 7 3.226 4.733 4.619
50 HA PRO 8 HA PRO 8 6.808 -3.236 1.475
51 HB2 PRO 8 1HB PRO 8 7.808 -5.151 3.157
52 HB3 PRO 8 2HB PRO 8 8.710 -4.483 1.799
53 HG2 PRO 8 1HG PRO 8 8.815 -3.737 4.702
54 HG3 PRO 8 2HG PRO 8 10.171 -4.011 3.546
55 HD2 PRO 8 1HD PRO 8 9.323 -1.531 4.252
56 HD3 PRO 8 2HD PRO 8 9.948 -1.905 2.637
57 HA PRO 9 HA PRO 9 5.428 -4.638 1.019
58 HB2 PRO 9 1HB PRO 9 2.800 -4.254 0.345
59 HB3 PRO 9 2HB PRO 9 3.385 -5.670 1.220
60 HG2 PRO 9 1HG PRO 9 2.118 -3.168 2.283
61 HG3 PRO 9 2HG PRO 9 1.786 -4.886 2.715
62 HD2 PRO 9 1HD PRO 9 3.305 -3.254 4.263
63 HD3 PRO 9 2HD PRO 9 3.616 -4.993 4.112
64 H PHE 10 H PHE 10 6.019 -3.428 -0.673
65 HA PHE 10 HA PHE 10 6.061 -0.631 -0.589
66 HB2 PHE 10 1HB PHE 10 6.374 -2.551 -2.907
67 HB3 PHE 10 2HB PHE 10 6.659 -0.815 -3.038
68 HD1 PHE 10 2HD PHE 10 8.383 0.225 -1.436
69 HD2 PHE 10 1HD PHE 10 8.113 -3.946 -2.239
70 HE1 PHE 10 2HE PHE 10 10.699 -0.071 -0.662
71 HE2 PHE 10 1HE PHE 10 10.428 -4.249 -1.464
72 HZ PHE 10 HZ PHE 10 11.726 -2.310 -0.675
73 H PHE 11 H PHE 11 3.567 -2.785 -1.469
74 HA PHE 11 HA PHE 11 2.075 -0.605 -2.774
75 HB2 PHE 11 1HB PHE 11 0.593 -2.552 -3.591
76 HB3 PHE 11 2HB PHE 11 2.174 -2.339 -4.344
77 HD1 PHE 11 2HD PHE 11 4.007 -3.878 -3.903
78 HD2 PHE 11 1HD PHE 11 0.156 -4.470 -2.192
79 HE1 PHE 11 2HE PHE 11 4.615 -6.196 -3.345
80 HE2 PHE 11 1HE PHE 11 0.758 -6.788 -1.629
81 HZ PHE 11 HZ PHE 11 2.990 -7.654 -2.207
82 H ASP 12 H ASP 12 0.461 0.258 -1.661
83 HA ASP 12 HA ASP 12 -0.676 -1.278 0.582
84 HB2 ASP 12 1HB ASP 12 0.581 1.044 0.850
85 HB3 ASP 12 2HB ASP 12 -1.003 1.684 0.390
86 H CYS 13 H CYS 13 -2.365 -2.299 -0.418
87 HA CYS 13 HA CYS 13 -4.338 -0.595 -1.786
88 HB2 CYS 13 1HB CYS 13 -3.352 -2.472 -3.094
89 HB3 CYS 13 2HB CYS 13 -4.066 -3.604 -1.931
90 H LYS 14 H LYS 14 -6.171 -0.174 -0.759
91 HA LYS 14 HA LYS 14 -6.972 -1.935 1.463
92 HB2 LYS 14 1HB LYS 14 -6.309 0.454 2.000
93 HB3 LYS 14 2HB LYS 14 -7.759 0.957 1.115
94 HG2 LYS 14 1HG LYS 14 -8.972 -0.711 2.733
95 HG3 LYS 14 2HG LYS 14 -7.531 -0.445 3.732
96 HD2 LYS 14 1HD LYS 14 -8.777 1.278 4.531
97 HD3 LYS 14 2HD LYS 14 -8.091 2.100 3.118
98 HE2 LYS 14 1HE LYS 14 -10.294 2.594 2.774
99 HE3 LYS 14 2HE LYS 14 -10.212 1.041 1.931
100 HZ1 LYS 14 3HZ LYS 14 -11.417 -0.001 3.522
101 HZ2 LYS 14 1HZ LYS 14 -12.039 1.556 3.746
102 HZ3 LYS 14 2HZ LYS 14 -10.838 0.968 4.780
103 HA PRO 15 HA PRO 15 -10.219 -2.329 -1.827
104 HB2 PRO 15 1HB PRO 15 -10.471 -5.045 -1.589
105 HB3 PRO 15 2HB PRO 15 -9.274 -4.266 -2.622
106 HG2 PRO 15 1HG PRO 15 -8.966 -5.362 0.153
107 HG3 PRO 15 2HG PRO 15 -7.887 -5.563 -1.279
108 HD2 PRO 15 1HD PRO 15 -7.350 -3.812 0.724
109 HD3 PRO 15 2HD PRO 15 -6.923 -3.493 -0.964
110 H ASN 16 H ASN 16 -12.427 -2.709 -1.543
111 HA ASN 16 HA ASN 16 -13.321 -2.635 1.209
112 HB2 ASN 16 1HB ASN 16 -15.538 -2.174 0.264
113 HB3 ASN 16 2HB ASN 16 -14.314 -1.102 -0.427
114 HD21 ASN 16 1HD2 ASN 16 -16.975 -2.538 -1.273
115 HD22 ASN 16 2HD2 ASN 16 -16.631 -3.002 -2.902
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -9.613 1.694 -2.217
2 HA2 GLY 1 2HA GLY 1 -7.969 3.699 -3.596
3 HA3 GLY 1 3HA GLY 1 -8.236 3.605 -1.861
4 H CYS 2 H CYS 2 -6.229 2.703 -4.475
5 HA CYS 2 HA CYS 2 -4.509 1.190 -2.622
6 HB2 CYS 2 1HB CYS 2 -5.146 0.669 -5.519
7 HB3 CYS 2 2HB CYS 2 -3.698 -0.002 -4.748
8 H TRP 3 H TRP 3 -2.358 1.672 -2.617
9 HA TRP 3 HA TRP 3 -1.076 3.176 -4.667
10 HB2 TRP 3 1HB TRP 3 -0.720 5.260 -3.550
11 HB3 TRP 3 2HB TRP 3 -2.456 4.944 -3.530
12 HD1 TRP 3 HD TRP 3 0.443 5.559 -1.223
13 HE1 TRP 3 1HE TRP 3 -0.371 5.520 1.218
14 HE3 TRP 3 3HE TRP 3 -4.264 3.705 -1.966
15 HZ2 TRP 3 2HZ TRP 3 -2.699 4.797 2.641
16 HZ3 TRP 3 3HZ TRP 3 -5.721 3.368 -0.012
17 HH2 TRP 3 HH TRP 3 -4.953 3.904 2.244
18 HA PRO 4 HA PRO 4 2.446 1.359 -2.776
19 HB2 PRO 4 1HB PRO 4 4.417 3.044 -3.652
20 HB3 PRO 4 2HB PRO 4 3.590 1.891 -4.696
21 HG2 PRO 4 1HG PRO 4 3.067 4.819 -4.308
22 HG3 PRO 4 2HG PRO 4 3.162 3.869 -5.839
23 HD2 PRO 4 1HD PRO 4 0.802 4.598 -4.711
24 HD3 PRO 4 2HD PRO 4 1.011 3.078 -5.597
25 H VAL 5 H VAL 5 4.156 1.723 -1.214
26 HA VAL 5 HA VAL 5 3.964 4.212 0.320
27 HB VAL 5 HB VAL 5 4.027 2.821 2.445
28 HG11 VAL 5 1HG1 VAL 5 1.632 3.032 0.658
29 HG12 VAL 5 2HG1 VAL 5 1.502 2.323 2.269
30 HG13 VAL 5 3HG1 VAL 5 2.049 3.989 2.079
31 HG21 VAL 5 3HG2 VAL 5 3.333 0.569 2.414
32 HG22 VAL 5 1HG2 VAL 5 2.847 0.659 0.721
33 HG23 VAL 5 2HG2 VAL 5 4.556 0.695 1.151
34 HA PRO 6 HA PRO 6 8.340 3.884 0.534
35 HB2 PRO 6 1HB PRO 6 8.824 5.309 2.822
36 HB3 PRO 6 2HB PRO 6 8.329 6.050 1.302
37 HG2 PRO 6 1HG PRO 6 6.664 5.295 3.680
38 HG3 PRO 6 2HG PRO 6 6.643 6.814 2.710
39 HD2 PRO 6 1HD PRO 6 4.799 4.847 2.394
40 HD3 PRO 6 2HD PRO 6 5.367 5.849 1.049
41 H TYR 7 H TYR 7 7.194 1.514 1.351
42 HA TYR 7 HA TYR 7 9.148 0.315 2.881
43 HB2 TYR 7 1HB TYR 7 7.755 -0.109 5.008
44 HB3 TYR 7 2HB TYR 7 8.576 1.445 4.848
45 HD1 TYR 7 1HD TYR 7 5.262 -0.161 4.274
46 HD2 TYR 7 2HD TYR 7 7.388 3.437 5.076
47 HE1 TYR 7 1HE TYR 7 3.130 1.019 4.603
48 HE2 TYR 7 2HE TYR 7 5.262 4.626 5.408
49 HH TYR 7 HH TYR 7 2.632 3.527 6.137
50 HA PRO 8 HA PRO 8 7.004 -3.213 1.379
51 HB2 PRO 8 1HB PRO 8 8.034 -5.152 3.018
52 HB3 PRO 8 2HB PRO 8 8.953 -4.379 1.728
53 HG2 PRO 8 1HG PRO 8 8.906 -3.763 4.662
54 HG3 PRO 8 2HG PRO 8 10.318 -3.916 3.553
55 HD2 PRO 8 1HD PRO 8 9.316 -1.514 4.329
56 HD3 PRO 8 2HD PRO 8 10.023 -1.785 2.727
57 HA PRO 9 HA PRO 9 5.716 -4.660 0.805
58 HB2 PRO 9 1HB PRO 9 3.102 -4.376 0.040
59 HB3 PRO 9 2HB PRO 9 3.723 -5.800 0.875
60 HG2 PRO 9 1HG PRO 9 2.290 -3.412 1.992
61 HG3 PRO 9 2HG PRO 9 2.027 -5.163 2.334
62 HD2 PRO 9 1HD PRO 9 3.399 -3.532 4.015
63 HD3 PRO 9 2HD PRO 9 3.804 -5.244 3.801
64 H PHE 10 H PHE 10 6.311 -3.346 -0.806
65 HA PHE 10 HA PHE 10 6.207 -0.558 -0.599
66 HB2 PHE 10 1HB PHE 10 6.709 -2.353 -2.984
67 HB3 PHE 10 2HB PHE 10 6.911 -0.600 -3.026
68 HD1 PHE 10 2HD PHE 10 8.392 0.349 -1.005
69 HD2 PHE 10 1HD PHE 10 8.613 -3.587 -2.608
70 HE1 PHE 10 2HE PHE 10 10.687 0.132 -0.146
71 HE2 PHE 10 1HE PHE 10 10.908 -3.811 -1.751
72 HZ PHE 10 HZ PHE 10 11.949 -1.950 -0.519
73 H PHE 11 H PHE 11 3.865 -2.791 -1.683
74 HA PHE 11 HA PHE 11 2.311 -0.625 -2.937
75 HB2 PHE 11 1HB PHE 11 0.981 -2.597 -3.930
76 HB3 PHE 11 2HB PHE 11 2.577 -2.252 -4.599
77 HD1 PHE 11 1HD PHE 11 4.489 -3.697 -4.123
78 HD2 PHE 11 2HD PHE 11 0.585 -4.632 -2.710
79 HE1 PHE 11 1HE PHE 11 5.209 -6.007 -3.673
80 HE2 PHE 11 2HE PHE 11 1.299 -6.944 -2.257
81 HZ PHE 11 HZ PHE 11 3.614 -7.633 -2.738
82 H ASP 12 H ASP 12 0.591 0.071 -1.866
83 HA ASP 12 HA ASP 12 -0.521 -1.633 0.261
84 HB2 ASP 12 1HB ASP 12 0.521 0.776 0.651
85 HB3 ASP 12 2HB ASP 12 -1.091 1.295 0.137
86 H CYS 13 H CYS 13 -2.841 -1.499 0.635
87 HA CYS 13 HA CYS 13 -4.508 -0.449 -1.479
88 HB2 CYS 13 1HB CYS 13 -3.884 -3.342 -1.199
89 HB3 CYS 13 2HB CYS 13 -5.564 -2.908 -1.559
90 H LYS 14 H LYS 14 -6.611 -0.138 -0.846
91 HA LYS 14 HA LYS 14 -7.496 -1.262 1.701
92 HB2 LYS 14 1HB LYS 14 -6.359 1.014 2.026
93 HB3 LYS 14 2HB LYS 14 -7.762 1.693 1.186
94 HG2 LYS 14 1HG LYS 14 -9.216 0.579 2.915
95 HG3 LYS 14 2HG LYS 14 -7.726 0.214 3.803
96 HD2 LYS 14 1HD LYS 14 -7.232 2.504 4.140
97 HD3 LYS 14 2HD LYS 14 -8.440 3.008 2.946
98 HE2 LYS 14 1HE LYS 14 -9.815 1.461 4.872
99 HE3 LYS 14 2HE LYS 14 -8.753 2.564 5.759
100 HZ1 LYS 14 3HZ LYS 14 -9.700 4.421 4.563
101 HZ2 LYS 14 1HZ LYS 14 -10.931 3.541 5.320
102 HZ3 LYS 14 2HZ LYS 14 -10.681 3.386 3.654
103 HA PRO 15 HA PRO 15 -10.750 -1.142 -1.632
104 HB2 PRO 15 1HB PRO 15 -11.445 -3.781 -1.403
105 HB3 PRO 15 2HB PRO 15 -10.141 -3.205 -2.439
106 HG2 PRO 15 1HG PRO 15 -10.004 -4.350 0.329
107 HG3 PRO 15 2HG PRO 15 -8.981 -4.719 -1.109
108 HD2 PRO 15 1HD PRO 15 -8.153 -3.089 0.899
109 HD3 PRO 15 2HD PRO 15 -7.686 -2.839 -0.791
110 H ASN 16 H ASN 16 -12.965 -1.068 -1.315
111 HA ASN 16 HA ASN 16 -14.840 -0.600 -0.095
112 HB2 ASN 16 1HB ASN 16 -15.808 -2.465 0.881
113 HB3 ASN 16 2HB ASN 16 -14.592 -3.202 -0.169
114 HD21 ASN 16 1HD2 ASN 16 -13.131 -4.518 0.694
115 HD22 ASN 16 2HD2 ASN 16 -12.875 -4.753 2.386
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -9.929 2.460 -3.163
2 HA2 GLY 1 2HA GLY 1 -7.900 3.781 -3.250
3 HA3 GLY 1 3HA GLY 1 -8.263 3.480 -1.557
4 H CYS 2 H CYS 2 -6.152 2.771 -4.210
5 HA CYS 2 HA CYS 2 -4.357 1.367 -2.345
6 HB2 CYS 2 1HB CYS 2 -5.356 -0.203 -3.959
7 HB3 CYS 2 2HB CYS 2 -4.705 0.766 -5.291
8 H TRP 3 H TRP 3 -2.143 1.762 -2.577
9 HA TRP 3 HA TRP 3 -1.036 3.368 -4.629
10 HB2 TRP 3 1HB TRP 3 -0.647 5.435 -3.483
11 HB3 TRP 3 2HB TRP 3 -2.372 5.089 -3.386
12 HD1 TRP 3 HD TRP 3 0.686 5.533 -1.199
13 HE1 TRP 3 1HE TRP 3 -0.029 5.495 1.274
14 HE3 TRP 3 3HE TRP 3 -4.165 4.024 -1.778
15 HZ2 TRP 3 2HZ TRP 3 -2.342 4.904 2.779
16 HZ3 TRP 3 3HZ TRP 3 -5.560 3.746 0.229
17 HH2 TRP 3 HH TRP 3 -4.666 4.177 2.459
18 HA PRO 4 HA PRO 4 2.627 1.582 -2.989
19 HB2 PRO 4 1HB PRO 4 4.510 3.316 -3.965
20 HB3 PRO 4 2HB PRO 4 3.639 2.160 -4.970
21 HG2 PRO 4 1HG PRO 4 3.090 5.073 -4.508
22 HG3 PRO 4 2HG PRO 4 3.105 4.146 -6.055
23 HD2 PRO 4 1HD PRO 4 0.809 4.817 -4.772
24 HD3 PRO 4 2HD PRO 4 0.988 3.312 -5.689
25 H VAL 5 H VAL 5 4.074 1.751 -1.295
26 HA VAL 5 HA VAL 5 4.126 4.299 0.177
27 HB VAL 5 HB VAL 5 4.168 2.871 2.297
28 HG11 VAL 5 1HG1 VAL 5 1.603 2.942 0.712
29 HG12 VAL 5 2HG1 VAL 5 1.755 2.860 2.469
30 HG13 VAL 5 3HG1 VAL 5 2.283 4.303 1.602
31 HG21 VAL 5 3HG2 VAL 5 2.655 0.841 0.714
32 HG22 VAL 5 1HG2 VAL 5 4.415 0.753 0.788
33 HG23 VAL 5 2HG2 VAL 5 3.465 0.675 2.272
34 HA PRO 6 HA PRO 6 8.487 3.734 0.273
35 HB2 PRO 6 1HB PRO 6 9.097 5.260 2.462
36 HB3 PRO 6 2HB PRO 6 8.612 5.939 0.909
37 HG2 PRO 6 1HG PRO 6 6.958 5.419 3.357
38 HG3 PRO 6 2HG PRO 6 7.001 6.878 2.299
39 HD2 PRO 6 1HD PRO 6 5.043 5.006 2.133
40 HD3 PRO 6 2HD PRO 6 5.639 5.893 0.722
41 H TYR 7 H TYR 7 7.241 1.481 1.240
42 HA TYR 7 HA TYR 7 9.155 0.278 2.819
43 HB2 TYR 7 1HB TYR 7 7.777 0.036 4.977
44 HB3 TYR 7 2HB TYR 7 8.641 1.553 4.719
45 HD1 TYR 7 2HD TYR 7 5.279 0.005 4.335
46 HD2 TYR 7 1HD TYR 7 7.513 3.599 4.777
47 HE1 TYR 7 2HE TYR 7 3.185 1.266 4.613
48 HE2 TYR 7 1HE TYR 7 5.425 4.869 5.057
49 HH TYR 7 HH TYR 7 3.104 4.468 5.738
50 HA PRO 8 HA PRO 8 6.839 -3.213 1.494
51 HB2 PRO 8 1HB PRO 8 7.845 -5.124 3.177
52 HB3 PRO 8 2HB PRO 8 8.753 -4.437 1.832
53 HG2 PRO 8 1HG PRO 8 8.817 -3.707 4.740
54 HG3 PRO 8 2HG PRO 8 10.189 -3.955 3.597
55 HD2 PRO 8 1HD PRO 8 9.300 -1.491 4.305
56 HD3 PRO 8 2HD PRO 8 9.948 -1.848 2.696
57 HA PRO 9 HA PRO 9 5.488 -4.642 1.019
58 HB2 PRO 9 1HB PRO 9 2.862 -4.300 0.315
59 HB3 PRO 9 2HB PRO 9 3.460 -5.708 1.194
60 HG2 PRO 9 1HG PRO 9 2.141 -3.226 2.245
61 HG3 PRO 9 2HG PRO 9 1.830 -4.951 2.671
62 HD2 PRO 9 1HD PRO 9 3.305 -3.297 4.239
63 HD3 PRO 9 2HD PRO 9 3.645 -5.030 4.090
64 H PHE 10 H PHE 10 6.075 -3.422 -0.667
65 HA PHE 10 HA PHE 10 6.072 -0.624 -0.580
66 HB2 PHE 10 1HB PHE 10 6.445 -2.535 -2.896
67 HB3 PHE 10 2HB PHE 10 6.706 -0.794 -3.019
68 HD1 PHE 10 2HD PHE 10 8.499 0.297 -1.689
69 HD2 PHE 10 1HD PHE 10 8.090 -3.934 -1.910
70 HE1 PHE 10 2HE PHE 10 10.810 0.035 -0.884
71 HE2 PHE 10 1HE PHE 10 10.399 -4.203 -1.105
72 HZ PHE 10 HZ PHE 10 11.763 -2.217 -0.592
73 H PHE 11 H PHE 11 3.628 -2.820 -1.497
74 HA PHE 11 HA PHE 11 2.094 -0.640 -2.753
75 HB2 PHE 11 1HB PHE 11 0.723 -2.579 -3.746
76 HB3 PHE 11 2HB PHE 11 2.321 -2.267 -4.427
77 HD1 PHE 11 2HD PHE 11 0.358 -4.553 -2.343
78 HD2 PHE 11 1HD PHE 11 4.135 -3.813 -4.160
79 HE1 PHE 11 2HE PHE 11 1.020 -6.881 -1.905
80 HE2 PHE 11 1HE PHE 11 4.803 -6.141 -3.726
81 HZ PHE 11 HZ PHE 11 3.245 -7.678 -2.596
82 H ASP 12 H ASP 12 0.362 0.048 -1.690
83 HA ASP 12 HA ASP 12 -0.813 -1.713 0.362
84 HB2 ASP 12 1HB ASP 12 0.490 0.511 0.994
85 HB3 ASP 12 2HB ASP 12 -1.059 1.255 0.577
86 H CYS 13 H CYS 13 -2.740 -2.408 -0.264
87 HA CYS 13 HA CYS 13 -4.495 -0.546 -1.727
88 HB2 CYS 13 1HB CYS 13 -4.360 -3.556 -1.973
89 HB3 CYS 13 2HB CYS 13 -5.486 -2.502 -2.846
90 H LYS 14 H LYS 14 -6.301 -0.019 -0.700
91 HA LYS 14 HA LYS 14 -7.466 -1.927 1.208
92 HB2 LYS 14 1HB LYS 14 -6.108 -0.064 2.312
93 HB3 LYS 14 2HB LYS 14 -7.371 1.038 1.743
94 HG2 LYS 14 1HG LYS 14 -8.938 -0.747 2.947
95 HG3 LYS 14 2HG LYS 14 -7.457 -1.002 3.887
96 HD2 LYS 14 1HD LYS 14 -8.432 0.668 5.125
97 HD3 LYS 14 2HD LYS 14 -7.460 1.630 3.998
98 HE2 LYS 14 1HE LYS 14 -9.567 1.627 2.499
99 HE3 LYS 14 2HE LYS 14 -10.414 1.117 3.967
100 HZ1 LYS 14 3HZ LYS 14 -10.304 3.159 4.821
101 HZ2 LYS 14 1HZ LYS 14 -9.908 3.680 3.260
102 HZ3 LYS 14 2HZ LYS 14 -8.683 3.371 4.386
103 HA PRO 15 HA PRO 15 -10.589 -0.340 -1.849
104 HB2 PRO 15 1HB PRO 15 -11.611 -2.806 -2.459
105 HB3 PRO 15 2HB PRO 15 -10.216 -2.103 -3.273
106 HG2 PRO 15 1HG PRO 15 -10.307 -4.070 -1.011
107 HG3 PRO 15 2HG PRO 15 -9.292 -4.093 -2.503
108 HD2 PRO 15 1HD PRO 15 -8.332 -3.297 -0.092
109 HD3 PRO 15 2HD PRO 15 -7.785 -2.588 -1.620
110 H ASN 16 H ASN 16 -12.835 -0.198 -1.573
111 HA ASN 16 HA ASN 16 -13.750 -0.916 1.109
112 HB2 ASN 16 1HB ASN 16 -13.936 1.443 -0.001
113 HB3 ASN 16 2HB ASN 16 -15.335 0.745 -0.826
114 HD21 ASN 16 1HD2 ASN 16 -14.189 2.160 2.019
115 HD22 ASN 16 2HD2 ASN 16 -15.608 1.954 2.983
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -8.902 1.199 -3.111
2 HA2 GLY 1 2HA GLY 1 -7.929 3.705 -3.350
3 HA3 GLY 1 3HA GLY 1 -8.210 3.579 -1.618
4 H CYS 2 H CYS 2 -6.134 2.801 -4.216
5 HA CYS 2 HA CYS 2 -4.352 1.383 -2.350
6 HB2 CYS 2 1HB CYS 2 -5.350 -0.193 -3.958
7 HB3 CYS 2 2HB CYS 2 -4.700 0.773 -5.293
8 H TRP 3 H TRP 3 -2.139 1.775 -2.577
9 HA TRP 3 HA TRP 3 -1.025 3.372 -4.634
10 HB2 TRP 3 1HB TRP 3 -0.631 5.441 -3.493
11 HB3 TRP 3 2HB TRP 3 -2.359 5.099 -3.395
12 HD1 TRP 3 HD TRP 3 0.700 5.543 -1.209
13 HE1 TRP 3 1HE TRP 3 -0.014 5.510 1.263
14 HE3 TRP 3 3HE TRP 3 -4.152 4.037 -1.783
15 HZ2 TRP 3 2HZ TRP 3 -2.326 4.923 2.772
16 HZ3 TRP 3 3HZ TRP 3 -5.547 3.764 0.224
17 HH2 TRP 3 HH TRP 3 -4.652 4.198 2.453
18 HA PRO 4 HA PRO 4 2.632 1.579 -2.990
19 HB2 PRO 4 1HB PRO 4 4.520 3.304 -3.971
20 HB3 PRO 4 2HB PRO 4 3.645 2.148 -4.972
21 HG2 PRO 4 1HG PRO 4 3.105 5.063 -4.519
22 HG3 PRO 4 2HG PRO 4 3.117 4.132 -6.063
23 HD2 PRO 4 1HD PRO 4 0.824 4.814 -4.781
24 HD3 PRO 4 2HD PRO 4 0.998 3.306 -5.695
25 H VAL 5 H VAL 5 4.088 1.751 -1.300
26 HA VAL 5 HA VAL 5 4.145 4.303 0.164
27 HB VAL 5 HB VAL 5 4.182 2.884 2.289
28 HG11 VAL 5 1HG1 VAL 5 2.088 3.591 2.563
29 HG12 VAL 5 2HG1 VAL 5 2.117 4.071 0.866
30 HG13 VAL 5 3HG1 VAL 5 1.481 2.492 1.326
31 HG21 VAL 5 3HG2 VAL 5 3.466 0.691 2.272
32 HG22 VAL 5 1HG2 VAL 5 2.666 0.854 0.709
33 HG23 VAL 5 2HG2 VAL 5 4.425 0.758 0.793
34 HA PRO 6 HA PRO 6 8.504 3.722 0.261
35 HB2 PRO 6 1HB PRO 6 9.120 5.252 2.449
36 HB3 PRO 6 2HB PRO 6 8.638 5.927 0.894
37 HG2 PRO 6 1HG PRO 6 6.981 5.423 3.343
38 HG3 PRO 6 2HG PRO 6 7.031 6.877 2.280
39 HD2 PRO 6 1HD PRO 6 5.065 5.011 2.120
40 HD3 PRO 6 2HD PRO 6 5.665 5.892 0.705
41 H TYR 7 H TYR 7 7.250 1.477 1.235
42 HA TYR 7 HA TYR 7 9.159 0.270 2.817
43 HB2 TYR 7 1HB TYR 7 7.781 0.039 4.975
44 HB3 TYR 7 2HB TYR 7 8.651 1.552 4.714
45 HD1 TYR 7 1HD TYR 7 5.283 0.017 4.332
46 HD2 TYR 7 2HD TYR 7 7.531 3.603 4.768
47 HE1 TYR 7 1HE TYR 7 3.194 1.286 4.607
48 HE2 TYR 7 2HE TYR 7 5.448 4.881 5.046
49 HH TYR 7 HH TYR 7 3.182 4.617 5.587
50 HA PRO 8 HA PRO 8 6.829 -3.215 1.503
51 HB2 PRO 8 1HB PRO 8 7.824 -5.126 3.193
52 HB3 PRO 8 2HB PRO 8 8.737 -4.447 1.847
53 HG2 PRO 8 1HG PRO 8 8.802 -3.706 4.752
54 HG3 PRO 8 2HG PRO 8 10.174 -3.966 3.611
55 HD2 PRO 8 1HD PRO 8 9.297 -1.494 4.310
56 HD3 PRO 8 2HD PRO 8 9.943 -1.860 2.702
57 HA PRO 9 HA PRO 9 5.471 -4.640 1.034
58 HB2 PRO 9 1HB PRO 9 2.847 -4.290 0.328
59 HB3 PRO 9 2HB PRO 9 3.438 -5.697 1.211
60 HG2 PRO 9 1HG PRO 9 2.129 -3.206 2.254
61 HG3 PRO 9 2HG PRO 9 1.812 -4.928 2.685
62 HD2 PRO 9 1HD PRO 9 3.293 -3.275 4.248
63 HD3 PRO 9 2HD PRO 9 3.626 -5.010 4.105
64 H PHE 10 H PHE 10 6.064 -3.428 -0.656
65 HA PHE 10 HA PHE 10 6.074 -0.629 -0.579
66 HB2 PHE 10 1HB PHE 10 6.437 -2.549 -2.889
67 HB3 PHE 10 2HB PHE 10 6.707 -0.810 -3.017
68 HD1 PHE 10 1HD PHE 10 8.351 0.222 -1.265
69 HD2 PHE 10 2HD PHE 10 8.231 -3.899 -2.324
70 HE1 PHE 10 1HE PHE 10 10.660 -0.049 -0.459
71 HE2 PHE 10 2HE PHE 10 10.539 -4.177 -1.518
72 HZ PHE 10 HZ PHE 10 11.756 -2.251 -0.584
73 H PHE 11 H PHE 11 3.619 -2.818 -1.489
74 HA PHE 11 HA PHE 11 2.094 -0.632 -2.747
75 HB2 PHE 11 1HB PHE 11 0.720 -2.565 -3.747
76 HB3 PHE 11 2HB PHE 11 2.320 -2.257 -4.425
77 HD1 PHE 11 1HD PHE 11 0.330 -4.551 -2.385
78 HD2 PHE 11 2HD PHE 11 4.144 -3.799 -4.119
79 HE1 PHE 11 1HE PHE 11 0.984 -6.883 -1.948
80 HE2 PHE 11 2HE PHE 11 4.804 -6.129 -3.686
81 HZ PHE 11 HZ PHE 11 3.223 -7.675 -2.601
82 H ASP 12 H ASP 12 0.361 0.057 -1.686
83 HA ASP 12 HA ASP 12 -0.820 -1.705 0.361
84 HB2 ASP 12 1HB ASP 12 0.487 0.515 1.000
85 HB3 ASP 12 2HB ASP 12 -1.059 1.263 0.583
86 H CYS 13 H CYS 13 -2.750 -2.392 -0.263
87 HA CYS 13 HA CYS 13 -4.498 -0.525 -1.727
88 HB2 CYS 13 1HB CYS 13 -4.379 -3.536 -1.972
89 HB3 CYS 13 2HB CYS 13 -5.491 -2.474 -2.852
90 H LYS 14 H LYS 14 -6.303 0.007 -0.703
91 HA LYS 14 HA LYS 14 -7.368 -1.844 1.328
92 HB2 LYS 14 1HB LYS 14 -6.231 0.335 2.138
93 HB3 LYS 14 2HB LYS 14 -7.679 1.140 1.517
94 HG2 LYS 14 1HG LYS 14 -8.784 -0.849 3.012
95 HG3 LYS 14 2HG LYS 14 -7.313 -0.477 3.929
96 HD2 LYS 14 1HD LYS 14 -9.188 1.684 2.974
97 HD3 LYS 14 2HD LYS 14 -9.422 0.840 4.516
98 HE2 LYS 14 1HE LYS 14 -7.193 1.535 5.260
99 HE3 LYS 14 2HE LYS 14 -6.936 2.349 3.710
100 HZ1 LYS 14 3HZ LYS 14 -8.397 4.018 4.235
101 HZ2 LYS 14 1HZ LYS 14 -7.751 3.684 5.762
102 HZ3 LYS 14 2HZ LYS 14 -9.272 3.079 5.337
103 HA PRO 15 HA PRO 15 -10.587 -1.000 -1.917
104 HB2 PRO 15 1HB PRO 15 -11.334 -3.620 -2.207
105 HB3 PRO 15 2HB PRO 15 -10.005 -2.881 -3.101
106 HG2 PRO 15 1HG PRO 15 -9.927 -4.540 -0.603
107 HG3 PRO 15 2HG PRO 15 -8.891 -4.646 -2.075
108 HD2 PRO 15 1HD PRO 15 -8.063 -3.452 0.217
109 HD3 PRO 15 2HD PRO 15 -7.567 -2.889 -1.388
110 H ASN 16 H ASN 16 -12.765 -0.827 -1.555
111 HA ASN 16 HA ASN 16 -13.781 -1.936 0.979
112 HB2 ASN 16 1HB ASN 16 -15.154 0.059 1.260
113 HB3 ASN 16 2HB ASN 16 -13.448 0.506 1.119
114 HD21 ASN 16 1HD2 ASN 16 -12.695 1.237 -0.986
115 HD22 ASN 16 2HD2 ASN 16 -13.782 2.112 -2.005