Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11878 | 1s6w RC | 6085 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -12.526 -6.631 1.947
2 2H GLY 1 2HT GLY 1 -14.191 -6.340 1.822
3 3H GLY 1 3HT GLY 1 -13.196 -5.228 2.627
4 1HA GLY 1 2HA GLY 1 -12.946 -5.892 -0.254
5 2HA GLY 1 1HA GLY 1 -13.864 -4.518 0.357
6 H CYS 2 H CYS 2 -10.652 -5.795 -0.163
7 HA CYS 2 HA CYS 2 -9.519 -3.070 0.261
8 1HB CYS 2 2HB CYS 2 -9.395 -5.062 2.196
9 2HB CYS 2 1HB CYS 2 -7.863 -5.265 1.347
10 H ARG 3 H ARG 3 -7.355 -2.894 -0.814
11 HA ARG 3 HA ARG 3 -6.845 -5.082 -2.794
12 1HB ARG 3 2HB ARG 3 -8.076 -2.804 -3.484
13 2HB ARG 3 1HB ARG 3 -6.421 -2.207 -3.511
14 1HG ARG 3 2HG ARG 3 -6.826 -2.952 -5.710
15 2HG ARG 3 1HG ARG 3 -5.867 -4.231 -4.964
16 1HD ARG 3 2HD ARG 3 -7.597 -5.506 -5.919
17 2HD ARG 3 1HD ARG 3 -8.290 -5.181 -4.319
18 HE ARG 3 HE ARG 3 -9.001 -2.970 -5.841
19 1HH1 ARG 3 1HH2 ARG 3 -9.417 -6.426 -5.957
20 2HH1 ARG 3 2HH2 ARG 3 -10.837 -6.353 -6.958
21 1HH2 ARG 3 1HH1 ARG 3 -10.951 -2.868 -7.045
22 2HH2 ARG 3 2HH1 ARG 3 -11.723 -4.350 -7.511
23 H PHE 4 H PHE 4 -4.622 -5.210 -3.525
24 HA PHE 4 HA PHE 4 -2.678 -4.413 -1.455
25 1HB PHE 4 2HB PHE 4 -2.982 -6.592 -3.041
26 2HB PHE 4 1HB PHE 4 -1.859 -5.663 -4.032
27 HD1 PHE 4 1HD PHE 4 -2.177 -5.947 -0.303
28 HD2 PHE 4 2HD PHE 4 0.238 -6.638 -3.783
29 HE1 PHE 4 1HE PHE 4 -0.303 -6.670 1.148
30 HE2 PHE 4 2HE PHE 4 2.116 -7.368 -2.329
31 HZ PHE 4 HZ PHE 4 1.842 -7.382 0.140
32 H CYS 5 H CYS 5 -1.275 -2.689 -1.634
33 HA CYS 5 HA CYS 5 -1.023 -1.350 -4.320
34 1HB CYS 5 2HB CYS 5 -1.222 0.824 -3.069
35 2HB CYS 5 1HB CYS 5 -2.679 -0.167 -2.954
36 H CYS 6 H CYS 6 1.031 -0.272 -4.644
37 HA CYS 6 HA CYS 6 3.128 -1.031 -2.641
38 1HB CYS 6 2HB CYS 6 3.454 -0.515 -5.611
39 2HB CYS 6 1HB CYS 6 4.612 -1.292 -4.528
40 H ASN 7 H ASN 7 1.602 1.412 -2.409
41 HA ASN 7 HA ASN 7 3.778 3.326 -2.208
42 1HB ASN 7 2HB ASN 7 2.781 3.081 -4.738
43 2HB ASN 7 1HB ASN 7 1.713 4.329 -4.098
44 1HD2 ASN 7 1HD2 ASN 7 4.040 4.518 -6.094
45 2HD2 ASN 7 2HD2 ASN 7 5.032 5.731 -5.445
46 H CYS 8 H CYS 8 2.146 2.554 -0.202
47 HA CYS 8 HA CYS 8 -0.115 4.493 0.042
48 1HB CYS 8 2HB CYS 8 -0.888 3.049 1.752
49 2HB CYS 8 1HB CYS 8 -0.138 1.929 0.616
50 H CYS 9 H CYS 9 2.919 3.525 1.556
51 HA CYS 9 HA CYS 9 2.978 6.074 3.092
52 1HB CYS 9 2HB CYS 9 3.581 3.392 4.336
53 2HB CYS 9 1HB CYS 9 2.985 4.858 5.113
54 HA PRO 10 HA PRO 10 7.186 5.720 1.682
55 1HB PRO 10 2HB PRO 10 8.269 7.751 3.167
56 2HB PRO 10 1HB PRO 10 7.273 8.029 1.724
57 1HG PRO 10 2HG PRO 10 6.537 8.208 4.599
58 2HG PRO 10 1HG PRO 10 6.019 9.216 3.238
59 1HD PRO 10 2HD PRO 10 4.483 7.238 4.349
60 2HD PRO 10 1HD PRO 10 4.322 7.790 2.666
61 H ASN 11 H ASN 11 6.692 3.671 3.404
62 HA ASN 11 HA ASN 11 9.157 3.586 5.047
63 1HB ASN 11 2HB ASN 11 6.594 4.238 6.098
64 2HB ASN 11 1HB ASN 11 6.971 2.601 6.641
65 1HD2 ASN 11 1HD2 ASN 11 8.046 5.990 6.796
66 2HD2 ASN 11 2HD2 ASN 11 9.151 5.747 8.063
67 H MET 12 H MET 12 7.829 2.118 2.666
68 HA MET 12 HA MET 12 8.462 -0.612 3.614
69 1HB MET 12 2HB MET 12 5.907 0.258 3.830
70 2HB MET 12 1HB MET 12 5.877 -0.309 2.160
71 1HG MET 12 2HG MET 12 6.330 -2.520 2.762
72 2HG MET 12 1HG MET 12 7.089 -2.055 4.285
73 1HE MET 12 1HE MET 12 3.741 -3.023 2.480
74 2HE MET 12 2HE MET 12 3.917 -1.275 2.348
75 3HE MET 12 3HE MET 12 2.604 -1.950 3.311
76 H SER 13 H SER 13 9.932 -1.185 2.034
77 HA SER 13 HA SER 13 9.737 -0.156 -0.714
78 1HB SER 13 2HB SER 13 11.721 -2.008 -0.741
79 2HB SER 13 1HB SER 13 11.946 -0.370 -0.124
80 HG SER 13 HG SER 13 12.088 -2.713 1.183
81 H GLY 14 H GLY 14 7.409 -1.387 -0.591
82 1HA GLY 14 2HA GLY 14 7.577 -3.561 -2.460
83 2HA GLY 14 1HA GLY 14 7.217 -4.188 -0.851
84 H CYS 15 H CYS 15 5.061 -4.581 -0.752
85 HA CYS 15 HA CYS 15 3.191 -2.409 -1.598
86 1HB CYS 15 2HB CYS 15 2.897 -5.370 -2.178
87 2HB CYS 15 1HB CYS 15 1.797 -4.094 -2.699
88 H GLY 16 H GLY 16 1.187 -2.407 -0.418
89 1HA GLY 16 2HA GLY 16 1.039 -4.287 1.897
90 2HA GLY 16 1HA GLY 16 0.922 -2.551 2.181
91 H VAL 17 H VAL 17 -1.226 -3.642 3.081
92 HA VAL 17 HA VAL 17 -3.279 -4.134 1.029
93 HB VAL 17 HB VAL 17 -3.486 -3.834 4.046
94 1HG1 VAL 17 1HG1 VAL 17 -5.681 -4.185 3.685
95 2HG1 VAL 17 2HG1 VAL 17 -5.285 -5.755 2.987
96 3HG1 VAL 17 3HG1 VAL 17 -5.404 -4.334 1.950
97 1HG2 VAL 17 1HG2 VAL 17 -2.544 -6.073 2.292
98 2HG2 VAL 17 2HG2 VAL 17 -3.530 -6.485 3.695
99 3HG2 VAL 17 3HG2 VAL 17 -2.010 -5.617 3.911
100 H CYS 18 H CYS 18 -4.588 -2.575 0.207
101 HA CYS 18 HA CYS 18 -4.725 0.086 1.606
102 1HB CYS 18 2HB CYS 18 -4.253 -0.787 -1.202
103 2HB CYS 18 1HB CYS 18 -5.274 0.634 -0.993
104 H CYS 19 H CYS 19 -6.813 0.732 2.126
105 HA CYS 19 HA CYS 19 -9.099 -0.732 0.842
106 1HB CYS 19 2HB CYS 19 -8.300 -0.205 3.620
107 2HB CYS 19 1HB CYS 19 -9.968 0.263 3.293
108 H ARG 20 H ARG 20 -7.606 2.153 0.654
109 HA ARG 20 HA ARG 20 -10.121 3.783 0.671
110 1HB ARG 20 2HB ARG 20 -7.170 4.456 0.910
111 2HB ARG 20 1HB ARG 20 -8.424 5.684 0.747
112 1HG ARG 20 2HG ARG 20 -9.230 3.848 2.803
113 2HG ARG 20 1HG ARG 20 -7.572 4.351 3.128
114 1HD ARG 20 2HD ARG 20 -8.473 6.764 2.612
115 2HD ARG 20 1HD ARG 20 -10.054 6.037 2.944
116 HE ARG 20 HE ARG 20 -9.424 5.739 5.210
117 1HH1 ARG 20 1HH2 ARG 20 -6.694 6.610 3.229
118 2HH1 ARG 20 2HH2 ARG 20 -5.670 6.941 4.579
119 1HH2 ARG 20 1HH1 ARG 20 -8.065 6.157 6.962
120 2HH2 ARG 20 2HH1 ARG 20 -6.438 6.674 6.686
121 H PHE 21 H PHE 21 -10.938 4.107 -1.368
122 HA PHE 21 HA PHE 21 -9.042 4.602 -3.619
123 1HB PHE 21 2HB PHE 21 -11.304 2.577 -3.514
124 2HB PHE 21 1HB PHE 21 -10.467 3.034 -4.996
125 HD1 PHE 21 1HD PHE 21 -10.293 1.099 -1.917
126 HD2 PHE 21 2HD PHE 21 -8.012 2.581 -5.243
127 HE1 PHE 21 1HE PHE 21 -8.484 -0.509 -1.389
128 HE2 PHE 21 2HE PHE 21 -6.200 0.972 -4.715
129 HZ PHE 21 HZ PHE 21 -6.436 -0.572 -2.789
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -14.483 -3.288 -1.063
2 2H GLY 1 2HT GLY 1 -15.028 -4.863 -1.393
3 3H GLY 1 3HT GLY 1 -13.571 -4.307 -2.060
4 1HA GLY 1 2HA GLY 1 -14.032 -4.615 0.856
5 2HA GLY 1 1HA GLY 1 -13.254 -5.835 -0.154
6 H CYS 2 H CYS 2 -11.066 -5.725 0.026
7 HA CYS 2 HA CYS 2 -9.793 -3.003 0.252
8 1HB CYS 2 2HB CYS 2 -9.836 -4.975 2.147
9 2HB CYS 2 1HB CYS 2 -8.367 -5.408 1.270
10 H ARG 3 H ARG 3 -7.598 -2.910 -0.771
11 HA ARG 3 HA ARG 3 -7.169 -5.021 -2.862
12 1HB ARG 3 2HB ARG 3 -8.223 -2.528 -3.300
13 2HB ARG 3 1HB ARG 3 -6.507 -2.222 -3.560
14 1HG ARG 3 2HG ARG 3 -6.661 -3.158 -5.598
15 2HG ARG 3 1HG ARG 3 -7.137 -4.687 -4.858
16 1HD ARG 3 2HD ARG 3 -8.873 -3.978 -6.435
17 2HD ARG 3 1HD ARG 3 -9.514 -3.846 -4.789
18 HE ARG 3 HE ARG 3 -9.343 -1.455 -4.932
19 1HH1 ARG 3 1HH2 ARG 3 -7.937 -3.044 -7.683
20 2HH1 ARG 3 2HH2 ARG 3 -7.851 -1.598 -8.624
21 1HH2 ARG 3 1HH1 ARG 3 -9.251 0.398 -6.160
22 2HH2 ARG 3 2HH1 ARG 3 -8.604 0.353 -7.762
23 H PHE 4 H PHE 4 -4.929 -5.190 -3.553
24 HA PHE 4 HA PHE 4 -2.994 -4.544 -1.426
25 1HB PHE 4 2HB PHE 4 -3.359 -6.644 -3.095
26 2HB PHE 4 1HB PHE 4 -2.183 -5.734 -4.040
27 HD1 PHE 4 1HD PHE 4 -0.038 -6.594 -3.754
28 HD2 PHE 4 2HD PHE 4 -2.657 -6.341 -0.354
29 HE1 PHE 4 1HE PHE 4 1.777 -7.438 -2.289
30 HE2 PHE 4 2HE PHE 4 -0.840 -7.182 1.108
31 HZ PHE 4 HZ PHE 4 1.377 -7.728 0.145
32 H CYS 5 H CYS 5 -1.293 -3.031 -1.656
33 HA CYS 5 HA CYS 5 -1.050 -1.591 -4.263
34 1HB CYS 5 2HB CYS 5 -1.316 0.564 -3.104
35 2HB CYS 5 1HB CYS 5 -2.735 -0.445 -2.828
36 H CYS 6 H CYS 6 1.010 -0.537 -4.527
37 HA CYS 6 HA CYS 6 3.069 -1.286 -2.470
38 1HB CYS 6 2HB CYS 6 3.497 -0.847 -5.436
39 2HB CYS 6 1HB CYS 6 4.578 -1.654 -4.301
40 H ASN 7 H ASN 7 1.776 1.095 -2.026
41 HA ASN 7 HA ASN 7 3.889 3.044 -2.072
42 1HB ASN 7 2HB ASN 7 2.782 2.745 -4.534
43 2HB ASN 7 1HB ASN 7 1.702 3.968 -3.870
44 1HD2 ASN 7 1HD2 ASN 7 2.749 5.445 -5.520
45 2HD2 ASN 7 2HD2 ASN 7 4.236 6.166 -5.140
46 H CYS 8 H CYS 8 2.338 2.293 0.042
47 HA CYS 8 HA CYS 8 0.014 4.110 0.323
48 1HB CYS 8 2HB CYS 8 -0.493 2.808 2.201
49 2HB CYS 8 1HB CYS 8 0.402 1.645 1.228
50 H CYS 9 H CYS 9 3.233 3.658 1.752
51 HA CYS 9 HA CYS 9 3.143 6.447 2.784
52 1HB CYS 9 2HB CYS 9 3.936 4.158 4.569
53 2HB CYS 9 1HB CYS 9 3.187 5.690 5.004
54 HA PRO 10 HA PRO 10 7.406 6.161 1.554
55 1HB PRO 10 2HB PRO 10 8.401 8.303 2.947
56 2HB PRO 10 1HB PRO 10 7.423 8.472 1.476
57 1HG PRO 10 2HG PRO 10 6.627 8.777 4.328
58 2HG PRO 10 1HG PRO 10 6.120 9.706 2.908
59 1HD PRO 10 2HD PRO 10 4.593 7.764 4.068
60 2HD PRO 10 1HD PRO 10 4.483 8.209 2.351
61 H ASN 11 H ASN 11 7.145 4.134 3.182
62 HA ASN 11 HA ASN 11 9.343 4.418 5.192
63 1HB ASN 11 2HB ASN 11 6.479 3.910 5.646
64 2HB ASN 11 1HB ASN 11 7.533 2.732 6.427
65 1HD2 ASN 11 1HD2 ASN 11 6.265 5.917 6.711
66 2HD2 ASN 11 2HD2 ASN 11 7.266 6.440 7.976
67 H MET 12 H MET 12 7.196 2.190 3.385
68 HA MET 12 HA MET 12 9.283 0.072 3.609
69 1HB MET 12 2HB MET 12 7.459 -1.458 3.167
70 2HB MET 12 1HB MET 12 6.884 -0.302 4.368
71 1HG MET 12 2HG MET 12 5.896 1.046 2.463
72 2HG MET 12 1HG MET 12 6.296 -0.299 1.394
73 1HE MET 12 1HE MET 12 4.809 -2.246 0.971
74 2HE MET 12 2HE MET 12 4.072 -3.142 2.298
75 3HE MET 12 3HE MET 12 5.804 -2.819 2.316
76 H SER 13 H SER 13 9.306 -1.332 1.533
77 HA SER 13 HA SER 13 9.162 0.385 -0.925
78 1HB SER 13 2HB SER 13 11.333 -1.228 -1.350
79 2HB SER 13 1HB SER 13 11.437 0.397 -0.684
80 HG SER 13 HG SER 13 12.512 -1.137 0.636
81 H GLY 14 H GLY 14 7.374 -1.831 0.148
82 1HA GLY 14 2HA GLY 14 7.594 -3.630 -2.233
83 2HA GLY 14 1HA GLY 14 7.237 -4.285 -0.634
84 H CYS 15 H CYS 15 5.128 -4.930 -0.782
85 HA CYS 15 HA CYS 15 3.119 -2.871 -1.634
86 1HB CYS 15 2HB CYS 15 3.145 -5.860 -2.167
87 2HB CYS 15 1HB CYS 15 1.871 -4.746 -2.667
88 H GLY 16 H GLY 16 1.213 -2.832 -0.378
89 1HA GLY 16 2HA GLY 16 0.993 -4.818 1.835
90 2HA GLY 16 1HA GLY 16 0.973 -3.097 2.222
91 H VAL 17 H VAL 17 -1.226 -4.131 3.068
92 HA VAL 17 HA VAL 17 -3.321 -4.420 1.034
93 HB VAL 17 HB VAL 17 -3.402 -4.149 4.065
94 1HG1 VAL 17 1HG1 VAL 17 -5.599 -3.713 3.150
95 2HG1 VAL 17 2HG1 VAL 17 -5.611 -5.360 3.777
96 3HG1 VAL 17 3HG1 VAL 17 -5.463 -5.084 2.043
97 1HG2 VAL 17 1HG2 VAL 17 -3.351 -6.604 2.275
98 2HG2 VAL 17 2HG2 VAL 17 -3.580 -6.628 4.024
99 3HG2 VAL 17 3HG2 VAL 17 -2.052 -6.074 3.339
100 H CYS 18 H CYS 18 -4.745 -2.817 0.382
101 HA CYS 18 HA CYS 18 -4.561 -0.127 1.719
102 1HB CYS 18 2HB CYS 18 -4.119 -1.043 -1.057
103 2HB CYS 18 1HB CYS 18 -5.179 0.357 -0.925
104 H CYS 19 H CYS 19 -6.579 0.374 2.536
105 HA CYS 19 HA CYS 19 -8.988 -0.800 1.177
106 1HB CYS 19 2HB CYS 19 -8.100 -0.456 3.949
107 2HB CYS 19 1HB CYS 19 -9.732 0.152 3.687
108 H ARG 20 H ARG 20 -7.393 1.869 0.719
109 HA ARG 20 HA ARG 20 -9.707 3.748 1.064
110 1HB ARG 20 2HB ARG 20 -7.829 4.623 2.210
111 2HB ARG 20 1HB ARG 20 -6.697 4.018 1.001
112 1HG ARG 20 2HG ARG 20 -6.861 6.421 0.756
113 2HG ARG 20 1HG ARG 20 -7.651 5.670 -0.627
114 1HD ARG 20 2HD ARG 20 -9.580 6.023 1.512
115 2HD ARG 20 1HD ARG 20 -8.767 7.559 1.175
116 HE ARG 20 HE ARG 20 -10.542 6.146 -0.657
117 1HH1 ARG 20 1HH2 ARG 20 -7.776 8.253 -0.402
118 2HH1 ARG 20 2HH2 ARG 20 -8.041 8.985 -1.947
119 1HH2 ARG 20 1HH1 ARG 20 -10.882 7.102 -2.653
120 2HH2 ARG 20 2HH1 ARG 20 -9.802 8.350 -3.205
121 H PHE 21 H PHE 21 -10.848 3.816 -0.845
122 HA PHE 21 HA PHE 21 -9.372 4.291 -3.388
123 1HB PHE 21 2HB PHE 21 -11.162 1.952 -2.700
124 2HB PHE 21 1HB PHE 21 -10.974 2.474 -4.371
125 HD1 PHE 21 1HD PHE 21 -9.706 0.329 -1.906
126 HD2 PHE 21 2HD PHE 21 -8.408 2.920 -5.078
127 HE1 PHE 21 1HE PHE 21 -7.561 -0.907 -2.040
128 HE2 PHE 21 2HE PHE 21 -6.262 1.682 -5.211
129 HZ PHE 21 HZ PHE 21 -5.838 -0.233 -3.688
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -14.233 -4.847 1.737
2 2H GLY 1 2HT GLY 1 -15.380 -4.762 0.490
3 3H GLY 1 3HT GLY 1 -14.388 -3.424 0.826
4 1HA GLY 1 2HA GLY 1 -13.279 -6.030 -0.031
5 2HA GLY 1 1HA GLY 1 -13.760 -4.786 -1.183
6 H CYS 2 H CYS 2 -11.042 -5.768 -0.699
7 HA CYS 2 HA CYS 2 -9.736 -3.145 -0.063
8 1HB CYS 2 2HB CYS 2 -9.315 -5.844 1.234
9 2HB CYS 2 1HB CYS 2 -8.024 -4.645 1.214
10 H ARG 3 H ARG 3 -7.518 -3.075 -0.955
11 HA ARG 3 HA ARG 3 -6.982 -5.157 -3.061
12 1HB ARG 3 2HB ARG 3 -8.157 -3.053 -3.876
13 2HB ARG 3 1HB ARG 3 -6.739 -2.140 -3.365
14 1HG ARG 3 2HG ARG 3 -5.354 -3.653 -4.855
15 2HG ARG 3 1HG ARG 3 -6.872 -4.297 -5.486
16 1HD ARG 3 2HD ARG 3 -7.495 -1.795 -5.940
17 2HD ARG 3 1HD ARG 3 -5.752 -1.505 -5.764
18 HE ARG 3 HE ARG 3 -5.861 -3.680 -7.454
19 1HH1 ARG 3 1HH2 ARG 3 -7.303 -0.513 -7.420
20 2HH1 ARG 3 2HH2 ARG 3 -7.410 -0.413 -9.139
21 1HH2 ARG 3 1HH1 ARG 3 -5.969 -3.507 -9.696
22 2HH2 ARG 3 2HH1 ARG 3 -6.653 -2.096 -10.421
23 H PHE 4 H PHE 4 -4.713 -5.348 -3.629
24 HA PHE 4 HA PHE 4 -2.879 -4.631 -1.431
25 1HB PHE 4 2HB PHE 4 -3.132 -6.790 -3.009
26 2HB PHE 4 1HB PHE 4 -1.995 -5.882 -4.001
27 HD1 PHE 4 1HD PHE 4 -2.393 -6.282 -0.282
28 HD2 PHE 4 2HD PHE 4 0.165 -6.733 -3.710
29 HE1 PHE 4 1HE PHE 4 -0.536 -6.991 1.200
30 HE2 PHE 4 2HE PHE 4 2.017 -7.444 -2.227
31 HZ PHE 4 HZ PHE 4 1.676 -7.564 0.226
32 H CYS 5 H CYS 5 -1.301 -3.007 -1.584
33 HA CYS 5 HA CYS 5 -1.017 -1.602 -4.222
34 1HB CYS 5 2HB CYS 5 -1.242 0.529 -2.974
35 2HB CYS 5 1HB CYS 5 -2.692 -0.462 -2.830
36 H CYS 6 H CYS 6 1.017 -0.513 -4.493
37 HA CYS 6 HA CYS 6 3.113 -1.235 -2.467
38 1HB CYS 6 2HB CYS 6 3.481 -0.801 -5.440
39 2HB CYS 6 1HB CYS 6 4.605 -1.570 -4.320
40 H ASN 7 H ASN 7 1.651 1.160 -2.180
41 HA ASN 7 HA ASN 7 3.757 3.138 -2.096
42 1HB ASN 7 2HB ASN 7 3.032 2.918 -4.590
43 2HB ASN 7 1HB ASN 7 1.570 3.768 -4.084
44 1HD2 ASN 7 1HD2 ASN 7 4.114 4.596 -5.723
45 2HD2 ASN 7 2HD2 ASN 7 4.551 6.076 -5.020
46 H CYS 8 H CYS 8 2.476 2.651 0.063
47 HA CYS 8 HA CYS 8 -0.043 4.262 0.256
48 1HB CYS 8 2HB CYS 8 -0.495 2.976 2.169
49 2HB CYS 8 1HB CYS 8 0.415 1.824 1.191
50 H CYS 9 H CYS 9 3.179 3.925 1.665
51 HA CYS 9 HA CYS 9 3.046 6.712 2.689
52 1HB CYS 9 2HB CYS 9 3.933 4.454 4.463
53 2HB CYS 9 1HB CYS 9 3.147 5.966 4.904
54 HA PRO 10 HA PRO 10 7.330 6.576 1.559
55 1HB PRO 10 2HB PRO 10 8.415 8.378 3.310
56 2HB PRO 10 1HB PRO 10 7.407 8.851 1.928
57 1HG PRO 10 2HG PRO 10 6.694 8.634 4.807
58 2HG PRO 10 1HG PRO 10 6.164 9.813 3.598
59 1HD PRO 10 2HD PRO 10 4.649 7.693 4.447
60 2HD PRO 10 1HD PRO 10 4.464 8.482 2.863
61 H ASN 11 H ASN 11 6.721 4.347 3.173
62 HA ASN 11 HA ASN 11 9.301 3.880 4.495
63 1HB ASN 11 2HB ASN 11 6.983 4.812 5.942
64 2HB ASN 11 1HB ASN 11 7.375 3.177 6.469
65 1HD2 ASN 11 1HD2 ASN 11 8.046 6.328 7.233
66 2HD2 ASN 11 2HD2 ASN 11 9.608 6.145 7.869
67 H MET 12 H MET 12 8.190 2.578 2.275
68 HA MET 12 HA MET 12 7.873 -0.172 3.329
69 1HB MET 12 2HB MET 12 5.599 0.865 3.249
70 2HB MET 12 1HB MET 12 5.821 1.156 1.523
71 1HG MET 12 2HG MET 12 5.587 -1.067 0.976
72 2HG MET 12 1HG MET 12 6.295 -1.621 2.494
73 1HE MET 12 1HE MET 12 3.439 -3.500 2.858
74 2HE MET 12 2HE MET 12 4.109 -2.898 4.372
75 3HE MET 12 3HE MET 12 5.176 -3.208 3.004
76 H SER 13 H SER 13 9.436 -1.205 2.141
77 HA SER 13 HA SER 13 9.993 -0.340 -0.650
78 1HB SER 13 2HB SER 13 11.439 -2.581 0.697
79 2HB SER 13 1HB SER 13 12.080 -1.268 -0.284
80 HG SER 13 HG SER 13 12.201 -0.021 1.449
81 H GLY 14 H GLY 14 7.474 -1.545 -0.483
82 1HA GLY 14 2HA GLY 14 7.699 -3.702 -2.354
83 2HA GLY 14 1HA GLY 14 7.354 -4.357 -0.751
84 H CYS 15 H CYS 15 5.202 -4.788 -0.612
85 HA CYS 15 HA CYS 15 3.272 -2.683 -1.519
86 1HB CYS 15 2HB CYS 15 3.095 -5.671 -1.997
87 2HB CYS 15 1HB CYS 15 1.902 -4.476 -2.506
88 H GLY 16 H GLY 16 1.226 -2.732 -0.376
89 1HA GLY 16 2HA GLY 16 1.101 -4.523 2.013
90 2HA GLY 16 1HA GLY 16 0.969 -2.777 2.245
91 H VAL 17 H VAL 17 -1.192 -3.888 3.140
92 HA VAL 17 HA VAL 17 -3.198 -4.395 1.030
93 HB VAL 17 HB VAL 17 -3.545 -4.110 4.033
94 1HG1 VAL 17 1HG1 VAL 17 -5.627 -4.159 2.706
95 2HG1 VAL 17 2HG1 VAL 17 -5.447 -5.639 3.646
96 3HG1 VAL 17 3HG1 VAL 17 -5.084 -5.653 1.924
97 1HG2 VAL 17 1HG2 VAL 17 -2.430 -6.335 2.367
98 2HG2 VAL 17 2HG2 VAL 17 -3.413 -6.741 3.773
99 3HG2 VAL 17 3HG2 VAL 17 -1.935 -5.793 3.966
100 H CYS 18 H CYS 18 -4.588 -2.858 0.244
101 HA CYS 18 HA CYS 18 -4.774 -0.226 1.676
102 1HB CYS 18 2HB CYS 18 -4.236 -1.017 -1.150
103 2HB CYS 18 1HB CYS 18 -5.239 0.411 -0.911
104 H CYS 19 H CYS 19 -6.886 0.169 2.325
105 HA CYS 19 HA CYS 19 -9.101 -1.202 0.813
106 1HB CYS 19 2HB CYS 19 -8.874 -0.309 3.707
107 2HB CYS 19 1HB CYS 19 -10.290 -1.080 2.998
108 H ARG 20 H ARG 20 -7.714 1.832 1.343
109 HA ARG 20 HA ARG 20 -10.330 3.264 1.016
110 1HB ARG 20 2HB ARG 20 -7.611 4.310 1.862
111 2HB ARG 20 1HB ARG 20 -9.137 5.187 1.949
112 1HG ARG 20 2HG ARG 20 -9.975 3.778 3.665
113 2HG ARG 20 1HG ARG 20 -8.720 2.567 3.414
114 1HD ARG 20 2HD ARG 20 -7.637 3.615 5.156
115 2HD ARG 20 1HD ARG 20 -7.264 4.877 3.963
116 HE ARG 20 HE ARG 20 -9.919 5.078 5.227
117 1HH1 ARG 20 1HH2 ARG 20 -6.572 6.067 5.160
118 2HH1 ARG 20 2HH2 ARG 20 -6.843 7.497 6.083
119 1HH2 ARG 20 1HH1 ARG 20 -10.267 6.982 6.421
120 2HH2 ARG 20 2HH1 ARG 20 -8.938 8.022 6.776
121 H PHE 21 H PHE 21 -10.666 4.272 -0.976
122 HA PHE 21 HA PHE 21 -8.292 4.872 -2.687
123 1HB PHE 21 2HB PHE 21 -10.711 3.173 -3.330
124 2HB PHE 21 1HB PHE 21 -9.699 3.875 -4.592
125 HD1 PHE 21 1HD PHE 21 -7.326 3.210 -4.827
126 HD2 PHE 21 2HD PHE 21 -9.909 1.365 -1.927
127 HE1 PHE 21 1HE PHE 21 -5.691 1.374 -4.537
128 HE2 PHE 21 2HE PHE 21 -8.272 -0.469 -1.645
129 HZ PHE 21 HZ PHE 21 -6.160 -0.474 -2.943
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -14.829 -3.370 -0.409
2 2H GLY 1 2HT GLY 1 -13.856 -2.649 0.780
3 3H GLY 1 3HT GLY 1 -14.906 -3.916 1.194
4 1HA GLY 1 2HA GLY 1 -13.213 -5.304 0.932
5 2HA GLY 1 1HA GLY 1 -13.370 -4.983 -0.794
6 H CYS 2 H CYS 2 -10.849 -5.535 0.432
7 HA CYS 2 HA CYS 2 -9.508 -2.852 0.282
8 1HB CYS 2 2HB CYS 2 -8.762 -5.434 1.709
9 2HB CYS 2 1HB CYS 2 -7.727 -4.013 1.639
10 H ARG 3 H ARG 3 -7.353 -2.886 -0.825
11 HA ARG 3 HA ARG 3 -7.039 -5.192 -2.725
12 1HB ARG 3 2HB ARG 3 -8.186 -2.984 -3.530
13 2HB ARG 3 1HB ARG 3 -6.552 -2.323 -3.486
14 1HG ARG 3 2HG ARG 3 -5.936 -3.426 -5.350
15 2HG ARG 3 1HG ARG 3 -6.640 -4.941 -4.784
16 1HD ARG 3 2HD ARG 3 -7.828 -4.278 -6.794
17 2HD ARG 3 1HD ARG 3 -8.919 -3.993 -5.424
18 HE ARG 3 HE ARG 3 -7.323 -1.658 -5.867
19 1HH1 ARG 3 1HH2 ARG 3 -9.911 -3.502 -7.274
20 2HH1 ARG 3 2HH2 ARG 3 -10.653 -2.131 -8.009
21 1HH2 ARG 3 1HH1 ARG 3 -8.274 0.130 -6.887
22 2HH2 ARG 3 2HH1 ARG 3 -9.728 -0.076 -7.800
23 H PHE 4 H PHE 4 -4.832 -5.475 -3.492
24 HA PHE 4 HA PHE 4 -2.795 -4.725 -1.489
25 1HB PHE 4 2HB PHE 4 -3.251 -6.959 -2.864
26 2HB PHE 4 1HB PHE 4 -2.261 -6.152 -4.080
27 HD1 PHE 4 1HD PHE 4 -0.041 -6.847 -4.037
28 HD2 PHE 4 2HD PHE 4 -2.169 -6.440 -0.328
29 HE1 PHE 4 1HE PHE 4 2.004 -7.500 -2.790
30 HE2 PHE 4 2HE PHE 4 -0.125 -7.091 0.920
31 HZ PHE 4 HZ PHE 4 1.960 -7.619 -0.314
32 H CYS 5 H CYS 5 -1.195 -3.162 -1.826
33 HA CYS 5 HA CYS 5 -0.843 -2.037 -4.565
34 1HB CYS 5 2HB CYS 5 -1.172 0.269 -3.586
35 2HB CYS 5 1HB CYS 5 -2.631 -0.722 -3.604
36 H CYS 6 H CYS 6 1.146 -0.732 -4.735
37 HA CYS 6 HA CYS 6 3.114 -1.356 -2.560
38 1HB CYS 6 2HB CYS 6 3.695 -0.825 -5.485
39 2HB CYS 6 1HB CYS 6 4.744 -1.604 -4.299
40 H ASN 7 H ASN 7 1.500 1.005 -2.410
41 HA ASN 7 HA ASN 7 3.570 3.034 -2.155
42 1HB ASN 7 2HB ASN 7 2.973 2.855 -4.672
43 2HB ASN 7 1HB ASN 7 1.435 3.598 -4.232
44 1HD2 ASN 7 1HD2 ASN 7 1.427 5.872 -3.952
45 2HD2 ASN 7 2HD2 ASN 7 2.827 6.829 -3.955
46 H CYS 8 H CYS 8 2.247 2.494 -0.042
47 HA CYS 8 HA CYS 8 -0.329 4.024 0.071
48 1HB CYS 8 2HB CYS 8 -0.858 2.639 1.885
49 2HB CYS 8 1HB CYS 8 0.134 1.561 0.907
50 H CYS 9 H CYS 9 2.822 3.715 1.667
51 HA CYS 9 HA CYS 9 2.473 6.431 2.829
52 1HB CYS 9 2HB CYS 9 3.370 4.097 4.507
53 2HB CYS 9 1HB CYS 9 2.512 5.551 5.007
54 HA PRO 10 HA PRO 10 6.804 6.608 1.911
55 1HB PRO 10 2HB PRO 10 7.639 8.480 3.728
56 2HB PRO 10 1HB PRO 10 6.688 8.882 2.283
57 1HG PRO 10 2HG PRO 10 5.813 8.601 5.109
58 2HG PRO 10 1HG PRO 10 5.266 9.737 3.868
59 1HD PRO 10 2HD PRO 10 3.884 7.494 4.633
60 2HD PRO 10 1HD PRO 10 3.713 8.276 3.045
61 H ASN 11 H ASN 11 6.362 4.301 3.352
62 HA ASN 11 HA ASN 11 8.825 4.070 4.943
63 1HB ASN 11 2HB ASN 11 6.624 4.924 6.283
64 2HB ASN 11 1HB ASN 11 6.405 3.179 6.422
65 1HD2 ASN 11 1HD2 ASN 11 6.905 4.321 8.830
66 2HD2 ASN 11 2HD2 ASN 11 8.515 4.107 9.316
67 H MET 12 H MET 12 7.666 2.831 2.519
68 HA MET 12 HA MET 12 8.082 0.010 3.249
69 1HB MET 12 2HB MET 12 5.456 1.257 2.825
70 2HB MET 12 1HB MET 12 5.727 -0.132 1.773
71 1HG MET 12 2HG MET 12 5.975 -1.613 3.573
72 2HG MET 12 1HG MET 12 6.373 -0.321 4.707
73 1HE MET 12 1HE MET 12 2.310 -1.884 3.411
74 2HE MET 12 2HE MET 12 3.853 -2.723 3.534
75 3HE MET 12 3HE MET 12 3.596 -1.555 2.241
76 H SER 13 H SER 13 9.306 -0.816 1.594
77 HA SER 13 HA SER 13 9.247 0.558 -1.058
78 1HB SER 13 2HB SER 13 11.269 -1.519 -0.362
79 2HB SER 13 1HB SER 13 11.489 0.030 -1.177
80 HG SER 13 HG SER 13 12.333 0.387 0.789
81 H GLY 14 H GLY 14 7.436 -1.768 0.110
82 1HA GLY 14 2HA GLY 14 7.704 -3.494 -2.320
83 2HA GLY 14 1HA GLY 14 7.365 -4.195 -0.738
84 H CYS 15 H CYS 15 5.266 -4.874 -0.824
85 HA CYS 15 HA CYS 15 3.193 -2.864 -1.643
86 1HB CYS 15 2HB CYS 15 3.237 -5.833 -2.269
87 2HB CYS 15 1HB CYS 15 2.032 -4.667 -2.821
88 H GLY 16 H GLY 16 1.158 -3.116 -0.518
89 1HA GLY 16 2HA GLY 16 0.999 -5.154 1.625
90 2HA GLY 16 1HA GLY 16 0.986 -3.465 2.132
91 H VAL 17 H VAL 17 -1.234 -4.980 2.707
92 HA VAL 17 HA VAL 17 -3.266 -4.691 0.599
93 HB VAL 17 HB VAL 17 -3.488 -5.367 3.556
94 1HG1 VAL 17 1HG1 VAL 17 -5.330 -5.854 1.197
95 2HG1 VAL 17 2HG1 VAL 17 -5.648 -4.819 2.592
96 3HG1 VAL 17 3HG1 VAL 17 -5.546 -6.567 2.795
97 1HG2 VAL 17 1HG2 VAL 17 -1.963 -6.924 2.454
98 2HG2 VAL 17 2HG2 VAL 17 -3.112 -7.159 1.137
99 3HG2 VAL 17 3HG2 VAL 17 -3.502 -7.729 2.759
100 H CYS 18 H CYS 18 -4.390 -2.824 0.282
101 HA CYS 18 HA CYS 18 -4.654 -0.904 2.577
102 1HB CYS 18 2HB CYS 18 -4.504 0.850 0.690
103 2HB CYS 18 1HB CYS 18 -3.014 0.042 1.160
104 H CYS 19 H CYS 19 -6.656 0.231 2.665
105 HA CYS 19 HA CYS 19 -8.780 -0.756 0.782
106 1HB CYS 19 2HB CYS 19 -8.485 -1.078 3.557
107 2HB CYS 19 1HB CYS 19 -9.727 0.160 3.361
108 H ARG 20 H ARG 20 -7.019 1.894 1.105
109 HA ARG 20 HA ARG 20 -9.315 3.835 1.019
110 1HB ARG 20 2HB ARG 20 -6.331 4.268 1.518
111 2HB ARG 20 1HB ARG 20 -7.582 5.504 1.635
112 1HG ARG 20 2HG ARG 20 -7.963 4.923 3.758
113 2HG ARG 20 1HG ARG 20 -8.447 3.309 3.231
114 1HD ARG 20 2HD ARG 20 -6.570 2.430 4.113
115 2HD ARG 20 1HD ARG 20 -5.561 3.520 3.152
116 HE ARG 20 HE ARG 20 -6.539 4.020 5.913
117 1HH1 ARG 20 1HH2 ARG 20 -4.980 5.231 3.062
118 2HH1 ARG 20 2HH2 ARG 20 -4.181 6.499 3.898
119 1HH2 ARG 20 1HH1 ARG 20 -5.480 5.676 6.979
120 2HH2 ARG 20 2HH1 ARG 20 -4.462 6.761 6.101
121 H PHE 21 H PHE 21 -9.844 4.420 -1.052
122 HA PHE 21 HA PHE 21 -7.650 4.834 -3.034
123 1HB PHE 21 2HB PHE 21 -10.186 3.195 -3.354
124 2HB PHE 21 1HB PHE 21 -9.124 3.639 -4.688
125 HD1 PHE 21 1HD PHE 21 -9.559 1.492 -1.753
126 HD2 PHE 21 2HD PHE 21 -6.813 2.734 -4.815
127 HE1 PHE 21 1HE PHE 21 -8.097 -0.432 -1.235
128 HE2 PHE 21 2HE PHE 21 -5.350 0.803 -4.297
129 HZ PHE 21 HZ PHE 21 -5.983 -0.777 -2.489
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -14.070 -5.198 1.772
2 2H GLY 1 2HT GLY 1 -13.510 -4.049 2.889
3 3H GLY 1 3HT GLY 1 -12.429 -5.153 2.188
4 1HA GLY 1 2HA GLY 1 -13.210 -4.117 -0.032
5 2HA GLY 1 1HA GLY 1 -13.673 -2.768 1.004
6 H CYS 2 H CYS 2 -10.897 -4.862 0.179
7 HA CYS 2 HA CYS 2 -9.113 -2.502 0.514
8 1HB CYS 2 2HB CYS 2 -8.962 -5.157 1.958
9 2HB CYS 2 1HB CYS 2 -7.553 -4.114 1.788
10 H ARG 3 H ARG 3 -7.093 -2.782 -0.712
11 HA ARG 3 HA ARG 3 -7.032 -5.149 -2.550
12 1HB ARG 3 2HB ARG 3 -8.132 -3.021 -3.463
13 2HB ARG 3 1HB ARG 3 -6.537 -2.274 -3.369
14 1HG ARG 3 2HG ARG 3 -6.790 -3.122 -5.615
15 2HG ARG 3 1HG ARG 3 -5.656 -4.178 -4.778
16 1HD ARG 3 2HD ARG 3 -8.179 -5.289 -4.229
17 2HD ARG 3 1HD ARG 3 -8.241 -4.853 -5.949
18 HE ARG 3 HE ARG 3 -5.777 -5.994 -5.798
19 1HH1 ARG 3 1HH2 ARG 3 -8.861 -6.992 -4.521
20 2HH1 ARG 3 2HH2 ARG 3 -8.488 -8.679 -4.593
21 1HH2 ARG 3 1HH1 ARG 3 -5.280 -8.203 -5.854
22 2HH2 ARG 3 2HH1 ARG 3 -6.460 -9.360 -5.335
23 H PHE 4 H PHE 4 -4.900 -5.602 -3.387
24 HA PHE 4 HA PHE 4 -2.719 -4.863 -1.547
25 1HB PHE 4 2HB PHE 4 -3.398 -7.134 -2.831
26 2HB PHE 4 1HB PHE 4 -2.307 -6.458 -4.041
27 HD1 PHE 4 1HD PHE 4 0.038 -6.575 -3.756
28 HD2 PHE 4 2HD PHE 4 -2.557 -7.339 -0.416
29 HE1 PHE 4 1HE PHE 4 1.986 -7.320 -2.411
30 HE2 PHE 4 2HE PHE 4 -0.609 -8.086 0.923
31 HZ PHE 4 HZ PHE 4 1.662 -8.075 -0.073
32 H CYS 5 H CYS 5 -1.124 -3.356 -2.043
33 HA CYS 5 HA CYS 5 -0.808 -2.458 -4.874
34 1HB CYS 5 2HB CYS 5 -1.015 -0.090 -4.088
35 2HB CYS 5 1HB CYS 5 -2.507 -1.002 -3.871
36 H CYS 6 H CYS 6 1.181 -1.072 -5.100
37 HA CYS 6 HA CYS 6 3.235 -1.784 -3.034
38 1HB CYS 6 2HB CYS 6 3.542 -1.243 -6.005
39 2HB CYS 6 1HB CYS 6 4.816 -1.789 -4.915
40 H ASN 7 H ASN 7 1.526 0.564 -2.918
41 HA ASN 7 HA ASN 7 3.466 2.602 -2.353
42 1HB ASN 7 2HB ASN 7 3.635 2.654 -4.810
43 2HB ASN 7 1HB ASN 7 1.890 2.885 -4.933
44 1HD2 ASN 7 1HD2 ASN 7 1.382 5.057 -5.290
45 2HD2 ASN 7 2HD2 ASN 7 2.243 6.373 -4.655
46 H CYS 8 H CYS 8 2.244 3.018 -0.496
47 HA CYS 8 HA CYS 8 -0.452 4.276 -0.918
48 1HB CYS 8 2HB CYS 8 -1.454 2.884 0.674
49 2HB CYS 8 1HB CYS 8 -0.328 1.763 -0.086
50 H CYS 9 H CYS 9 2.246 3.719 1.306
51 HA CYS 9 HA CYS 9 1.863 6.439 2.447
52 1HB CYS 9 2HB CYS 9 2.162 4.029 4.227
53 2HB CYS 9 1HB CYS 9 1.315 5.540 4.544
54 HA PRO 10 HA PRO 10 6.285 6.244 2.448
55 1HB PRO 10 2HB PRO 10 6.854 8.082 4.400
56 2HB PRO 10 1HB PRO 10 6.288 8.531 2.778
57 1HG PRO 10 2HG PRO 10 4.767 8.365 5.334
58 2HG PRO 10 1HG PRO 10 4.641 9.542 4.017
59 1HD PRO 10 2HD PRO 10 2.883 7.491 4.365
60 2HD PRO 10 1HD PRO 10 3.248 8.216 2.783
61 H ASN 11 H ASN 11 5.533 3.983 3.643
62 HA ASN 11 HA ASN 11 7.394 3.691 5.916
63 1HB ASN 11 2HB ASN 11 4.795 4.422 6.442
64 2HB ASN 11 1HB ASN 11 4.694 2.663 6.540
65 1HD2 ASN 11 1HD2 ASN 11 7.089 5.177 7.589
66 2HD2 ASN 11 2HD2 ASN 11 7.297 4.518 9.142
67 H MET 12 H MET 12 6.782 2.530 3.108
68 HA MET 12 HA MET 12 7.502 -0.210 3.677
69 1HB MET 12 2HB MET 12 5.048 -0.055 4.353
70 2HB MET 12 1HB MET 12 4.679 0.251 2.655
71 1HG MET 12 2HG MET 12 5.530 -1.897 1.998
72 2HG MET 12 1HG MET 12 6.241 -2.171 3.588
73 1HE MET 12 1HE MET 12 3.282 -1.246 1.643
74 2HE MET 12 2HE MET 12 2.365 -0.697 3.043
75 3HE MET 12 3HE MET 12 1.921 -2.202 2.240
76 H SER 13 H SER 13 9.076 0.410 2.025
77 HA SER 13 HA SER 13 8.185 1.225 -0.640
78 1HB SER 13 2HB SER 13 10.901 0.144 0.131
79 2HB SER 13 1HB SER 13 10.517 1.384 -1.063
80 HG SER 13 HG SER 13 11.294 2.370 0.802
81 H GLY 14 H GLY 14 6.710 -0.923 -0.474
82 1HA GLY 14 2HA GLY 14 7.918 -2.844 -2.320
83 2HA GLY 14 1HA GLY 14 7.559 -3.522 -0.730
84 H CYS 15 H CYS 15 5.700 -4.709 -0.988
85 HA CYS 15 HA CYS 15 3.333 -3.321 -2.202
86 1HB CYS 15 2HB CYS 15 4.302 -6.172 -2.609
87 2HB CYS 15 1HB CYS 15 2.772 -5.548 -3.222
88 H GLY 16 H GLY 16 1.441 -3.585 -1.022
89 1HA GLY 16 2HA GLY 16 1.145 -5.782 0.901
90 2HA GLY 16 1HA GLY 16 1.335 -4.201 1.656
91 H VAL 17 H VAL 17 -1.008 -5.342 2.196
92 HA VAL 17 HA VAL 17 -3.057 -4.668 0.198
93 HB VAL 17 HB VAL 17 -3.191 -6.657 1.685
94 1HG1 VAL 17 1HG1 VAL 17 -2.360 -4.855 3.669
95 2HG1 VAL 17 2HG1 VAL 17 -2.826 -6.539 3.903
96 3HG1 VAL 17 3HG1 VAL 17 -4.022 -5.256 4.089
97 1HG2 VAL 17 1HG2 VAL 17 -5.225 -5.092 0.916
98 2HG2 VAL 17 2HG2 VAL 17 -5.409 -4.917 2.662
99 3HG2 VAL 17 3HG2 VAL 17 -5.477 -6.518 1.923
100 H CYS 18 H CYS 18 -4.059 -2.712 0.067
101 HA CYS 18 HA CYS 18 -3.928 -0.880 2.437
102 1HB CYS 18 2HB CYS 18 -3.738 0.939 0.615
103 2HB CYS 18 1HB CYS 18 -2.316 -0.067 0.884
104 H CYS 19 H CYS 19 -5.774 0.465 2.717
105 HA CYS 19 HA CYS 19 -8.130 -0.232 0.987
106 1HB CYS 19 2HB CYS 19 -8.200 0.498 3.925
107 2HB CYS 19 1HB CYS 19 -9.459 -0.289 2.975
108 H ARG 20 H ARG 20 -6.156 2.111 0.885
109 HA ARG 20 HA ARG 20 -8.090 4.358 1.373
110 1HB ARG 20 2HB ARG 20 -6.111 4.778 2.596
111 2HB ARG 20 1HB ARG 20 -5.075 4.071 1.352
112 1HG ARG 20 2HG ARG 20 -5.157 5.966 0.004
113 2HG ARG 20 1HG ARG 20 -6.710 6.495 0.652
114 1HD ARG 20 2HD ARG 20 -5.411 7.990 1.821
115 2HD ARG 20 1HD ARG 20 -5.148 6.612 2.909
116 HE ARG 20 HE ARG 20 -3.213 6.118 1.078
117 1HH1 ARG 20 1HH2 ARG 20 -4.178 9.103 2.594
118 2HH1 ARG 20 2HH2 ARG 20 -2.628 9.846 2.418
119 1HH2 ARG 20 1HH1 ARG 20 -1.161 7.046 0.922
120 2HH2 ARG 20 2HH1 ARG 20 -0.896 8.668 1.478
121 H PHE 21 H PHE 21 -9.155 4.808 -0.523
122 HA PHE 21 HA PHE 21 -7.527 5.090 -3.023
123 1HB PHE 21 2HB PHE 21 -10.050 3.467 -2.583
124 2HB PHE 21 1HB PHE 21 -9.458 3.896 -4.186
125 HD1 PHE 21 1HD PHE 21 -9.172 1.579 -1.454
126 HD2 PHE 21 2HD PHE 21 -7.012 3.270 -4.761
127 HE1 PHE 21 1HE PHE 21 -7.569 -0.303 -1.370
128 HE2 PHE 21 2HE PHE 21 -5.408 1.391 -4.679
129 HZ PHE 21 HZ PHE 21 -5.680 -0.403 -2.978
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 -14.364 -4.102 1.279
2 2H GLY 1 2HT GLY 1 -14.976 -2.636 0.684
3 3H GLY 1 3HT GLY 1 -13.542 -2.650 1.589
4 1HA GLY 1 2HA GLY 1 -13.423 -4.366 -0.709
5 2HA GLY 1 1HA GLY 1 -13.691 -2.668 -1.112
6 H CYS 2 H CYS 2 -11.259 -4.850 -0.655
7 HA CYS 2 HA CYS 2 -9.323 -2.670 0.019
8 1HB CYS 2 2HB CYS 2 -9.740 -5.338 1.369
9 2HB CYS 2 1HB CYS 2 -8.162 -4.552 1.406
10 H ARG 3 H ARG 3 -7.167 -3.084 -0.846
11 HA ARG 3 HA ARG 3 -6.831 -5.445 -2.641
12 1HB ARG 3 2HB ARG 3 -7.957 -3.418 -3.794
13 2HB ARG 3 1HB ARG 3 -6.406 -2.602 -3.617
14 1HG ARG 3 2HG ARG 3 -6.078 -3.536 -5.699
15 2HG ARG 3 1HG ARG 3 -5.518 -4.882 -4.705
16 1HD ARG 3 2HD ARG 3 -7.353 -6.185 -5.201
17 2HD ARG 3 1HD ARG 3 -8.444 -4.792 -5.265
18 HE ARG 3 HE ARG 3 -7.774 -4.378 -7.522
19 1HH1 ARG 3 1HH2 ARG 3 -5.981 -6.976 -6.061
20 2HH1 ARG 3 2HH2 ARG 3 -5.364 -7.555 -7.567
21 1HH2 ARG 3 1HH1 ARG 3 -6.956 -5.132 -9.465
22 2HH2 ARG 3 2HH1 ARG 3 -5.919 -6.516 -9.481
23 H PHE 4 H PHE 4 -4.550 -5.744 -3.239
24 HA PHE 4 HA PHE 4 -2.670 -4.766 -1.197
25 1HB PHE 4 2HB PHE 4 -2.978 -7.087 -2.542
26 2HB PHE 4 1HB PHE 4 -1.830 -6.305 -3.627
27 HD1 PHE 4 1HD PHE 4 0.369 -6.929 -3.246
28 HD2 PHE 4 2HD PHE 4 -2.291 -6.535 0.103
29 HE1 PHE 4 1HE PHE 4 2.220 -7.528 -1.705
30 HE2 PHE 4 2HE PHE 4 -0.440 -7.126 1.642
31 HZ PHE 4 HZ PHE 4 1.817 -7.616 0.738
32 H CYS 5 H CYS 5 -1.179 -3.090 -1.536
33 HA CYS 5 HA CYS 5 -0.877 -2.047 -4.338
34 1HB CYS 5 2HB CYS 5 -1.349 0.171 -3.542
35 2HB CYS 5 1HB CYS 5 -2.604 -0.867 -2.866
36 H CYS 6 H CYS 6 1.086 -0.805 -4.682
37 HA CYS 6 HA CYS 6 3.257 -1.455 -2.719
38 1HB CYS 6 2HB CYS 6 3.024 -1.172 -5.683
39 2HB CYS 6 1HB CYS 6 4.553 -0.691 -4.950
40 H ASN 7 H ASN 7 1.524 0.744 -2.145
41 HA ASN 7 HA ASN 7 3.444 2.899 -1.837
42 1HB ASN 7 2HB ASN 7 2.640 2.872 -4.323
43 2HB ASN 7 1HB ASN 7 1.135 3.526 -3.675
44 1HD2 ASN 7 1HD2 ASN 7 1.373 5.603 -2.346
45 2HD2 ASN 7 2HD2 ASN 7 2.626 6.672 -2.765
46 H CYS 8 H CYS 8 1.924 1.665 0.105
47 HA CYS 8 HA CYS 8 -0.618 3.057 0.571
48 1HB CYS 8 2HB CYS 8 -0.776 1.619 2.435
49 2HB CYS 8 1HB CYS 8 0.215 0.676 1.323
50 H CYS 9 H CYS 9 2.674 3.178 1.848
51 HA CYS 9 HA CYS 9 2.087 5.804 3.121
52 1HB CYS 9 2HB CYS 9 3.501 3.596 4.598
53 2HB CYS 9 1HB CYS 9 2.512 4.900 5.245
54 HA PRO 10 HA PRO 10 6.221 6.615 1.746
55 1HB PRO 10 2HB PRO 10 6.993 8.540 3.529
56 2HB PRO 10 1HB PRO 10 5.825 8.836 2.226
57 1HG PRO 10 2HG PRO 10 5.354 8.379 5.122
58 2HG PRO 10 1HG PRO 10 4.497 9.434 3.990
59 1HD PRO 10 2HD PRO 10 3.573 6.989 4.843
60 2HD PRO 10 1HD PRO 10 3.078 7.782 3.331
61 H ASN 11 H ASN 11 6.151 4.258 3.336
62 HA ASN 11 HA ASN 11 8.866 4.287 4.457
63 1HB ASN 11 2HB ASN 11 6.616 4.835 6.099
64 2HB ASN 11 1HB ASN 11 7.123 3.191 6.489
65 1HD2 ASN 11 1HD2 ASN 11 7.840 6.503 7.042
66 2HD2 ASN 11 2HD2 ASN 11 9.358 6.283 7.767
67 H MET 12 H MET 12 7.636 2.854 2.283
68 HA MET 12 HA MET 12 8.155 0.073 3.160
69 1HB MET 12 2HB MET 12 5.713 0.642 3.572
70 2HB MET 12 1HB MET 12 5.546 0.883 1.832
71 1HG MET 12 2HG MET 12 5.406 -1.335 1.466
72 2HG MET 12 1HG MET 12 6.871 -1.640 2.400
73 1HE MET 12 1HE MET 12 5.537 -4.004 2.995
74 2HE MET 12 2HE MET 12 4.209 -3.346 2.044
75 3HE MET 12 3HE MET 12 3.893 -3.992 3.651
76 H SER 13 H SER 13 9.546 -0.646 1.570
77 HA SER 13 HA SER 13 9.371 0.532 -1.158
78 1HB SER 13 2HB SER 13 11.581 -0.804 -1.319
79 2HB SER 13 1HB SER 13 11.546 0.560 -0.204
80 HG SER 13 HG SER 13 12.314 -1.043 1.034
81 H GLY 14 H GLY 14 7.274 -1.367 -0.397
82 1HA GLY 14 2HA GLY 14 7.656 -3.301 -2.575
83 2HA GLY 14 1HA GLY 14 7.454 -4.008 -0.969
84 H CYS 15 H CYS 15 5.393 -4.840 -1.099
85 HA CYS 15 HA CYS 15 3.195 -2.911 -1.762
86 1HB CYS 15 2HB CYS 15 3.914 -5.517 -2.832
87 2HB CYS 15 1HB CYS 15 2.271 -5.522 -2.196
88 H GLY 16 H GLY 16 1.348 -2.992 -0.439
89 1HA GLY 16 2HA GLY 16 1.333 -4.921 1.823
90 2HA GLY 16 1HA GLY 16 1.306 -3.198 2.199
91 H VAL 17 H VAL 17 -0.827 -4.135 3.202
92 HA VAL 17 HA VAL 17 -3.036 -4.613 1.341
93 HB VAL 17 HB VAL 17 -3.026 -3.995 4.322
94 1HG1 VAL 17 1HG1 VAL 17 -5.256 -3.841 3.518
95 2HG1 VAL 17 2HG1 VAL 17 -5.126 -5.473 4.178
96 3HG1 VAL 17 3HG1 VAL 17 -5.046 -5.212 2.434
97 1HG2 VAL 17 1HG2 VAL 17 -2.364 -6.461 2.755
98 2HG2 VAL 17 2HG2 VAL 17 -3.306 -6.664 4.230
99 3HG2 VAL 17 3HG2 VAL 17 -1.718 -5.906 4.303
100 H CYS 18 H CYS 18 -4.242 -3.023 0.391
101 HA CYS 18 HA CYS 18 -4.151 -0.255 1.562
102 1HB CYS 18 2HB CYS 18 -3.607 -1.374 -1.090
103 2HB CYS 18 1HB CYS 18 -4.806 -0.082 -1.154
104 H CYS 19 H CYS 19 -6.137 0.458 2.216
105 HA CYS 19 HA CYS 19 -8.572 -0.732 0.918
106 1HB CYS 19 2HB CYS 19 -7.999 -0.004 3.803
107 2HB CYS 19 1HB CYS 19 -9.597 -0.444 3.208
108 H ARG 20 H ARG 20 -6.870 1.961 0.779
109 HA ARG 20 HA ARG 20 -9.158 3.851 1.172
110 1HB ARG 20 2HB ARG 20 -7.343 4.581 2.459
111 2HB ARG 20 1HB ARG 20 -6.155 4.020 1.289
112 1HG ARG 20 2HG ARG 20 -6.043 6.294 0.919
113 2HG ARG 20 1HG ARG 20 -7.306 5.872 -0.239
114 1HD ARG 20 2HD ARG 20 -9.051 6.472 1.427
115 2HD ARG 20 1HD ARG 20 -7.769 6.904 2.592
116 HE ARG 20 HE ARG 20 -7.315 8.855 1.330
117 1HH1 ARG 20 1HH2 ARG 20 -9.280 6.635 -0.476
118 2HH1 ARG 20 2HH2 ARG 20 -9.566 7.742 -1.766
119 1HH2 ARG 20 1HH1 ARG 20 -7.717 10.300 -0.325
120 2HH2 ARG 20 2HH1 ARG 20 -8.696 9.838 -1.669
121 H PHE 21 H PHE 21 -10.215 4.129 -0.773
122 HA PHE 21 HA PHE 21 -8.557 4.699 -3.196
123 1HB PHE 21 2HB PHE 21 -10.829 2.698 -2.920
124 2HB PHE 21 1HB PHE 21 -10.154 3.196 -4.469
125 HD1 PHE 21 1HD PHE 21 -7.526 3.015 -4.668
126 HD2 PHE 21 2HD PHE 21 -9.903 0.851 -1.821
127 HE1 PHE 21 1HE PHE 21 -5.704 1.349 -4.423
128 HE2 PHE 21 2HE PHE 21 -8.083 -0.814 -1.575
129 HZ PHE 21 HZ PHE 21 -5.986 -0.570 -2.873
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -14.442 -1.557 0.052
2 2H GLY 1 2HT GLY 1 -13.226 -1.745 -1.123
3 3H GLY 1 3HT GLY 1 -13.001 -0.681 0.179
4 1HA GLY 1 2HA GLY 1 -13.215 -2.666 1.692
5 2HA GLY 1 1HA GLY 1 -13.046 -3.638 0.229
6 H CYS 2 H CYS 2 -10.956 -4.446 0.461
7 HA CYS 2 HA CYS 2 -8.761 -2.410 0.724
8 1HB CYS 2 2HB CYS 2 -9.054 -5.197 1.888
9 2HB CYS 2 1HB CYS 2 -7.544 -4.285 1.932
10 H ARG 3 H ARG 3 -6.967 -2.728 -0.646
11 HA ARG 3 HA ARG 3 -7.086 -5.058 -2.523
12 1HB ARG 3 2HB ARG 3 -8.018 -2.631 -3.220
13 2HB ARG 3 1HB ARG 3 -6.301 -2.355 -3.529
14 1HG ARG 3 2HG ARG 3 -6.523 -4.734 -4.744
15 2HG ARG 3 1HG ARG 3 -8.204 -4.211 -4.913
16 1HD ARG 3 2HD ARG 3 -5.965 -2.307 -5.643
17 2HD ARG 3 1HD ARG 3 -6.488 -3.551 -6.797
18 HE ARG 3 HE ARG 3 -8.800 -2.254 -5.705
19 1HH1 ARG 3 1HH2 ARG 3 -6.140 -1.765 -7.878
20 2HH1 ARG 3 2HH2 ARG 3 -6.988 -0.610 -8.855
21 1HH2 ARG 3 1HH1 ARG 3 -9.925 -0.781 -6.992
22 2HH2 ARG 3 2HH1 ARG 3 -9.127 -0.061 -8.355
23 H PHE 4 H PHE 4 -4.939 -5.543 -3.480
24 HA PHE 4 HA PHE 4 -2.724 -4.897 -1.647
25 1HB PHE 4 2HB PHE 4 -3.443 -7.107 -3.022
26 2HB PHE 4 1HB PHE 4 -2.329 -6.399 -4.194
27 HD1 PHE 4 1HD PHE 4 0.043 -6.254 -3.750
28 HD2 PHE 4 2HD PHE 4 -2.654 -7.718 -0.742
29 HE1 PHE 4 1HE PHE 4 1.966 -7.065 -2.421
30 HE2 PHE 4 2HE PHE 4 -0.725 -8.531 0.589
31 HZ PHE 4 HZ PHE 4 1.589 -8.199 -0.252
32 H CYS 5 H CYS 5 -0.951 -3.574 -2.155
33 HA CYS 5 HA CYS 5 -0.760 -2.461 -4.906
34 1HB CYS 5 2HB CYS 5 -0.841 -0.127 -3.895
35 2HB CYS 5 1HB CYS 5 -2.368 -1.002 -3.824
36 H CYS 6 H CYS 6 1.308 -1.507 -5.331
37 HA CYS 6 HA CYS 6 3.448 -2.209 -3.379
38 1HB CYS 6 2HB CYS 6 3.097 -2.130 -6.277
39 2HB CYS 6 1HB CYS 6 4.566 -1.291 -5.784
40 H ASN 7 H ASN 7 1.643 0.196 -3.130
41 HA ASN 7 HA ASN 7 3.556 2.156 -2.319
42 1HB ASN 7 2HB ASN 7 3.641 2.159 -4.927
43 2HB ASN 7 1HB ASN 7 2.054 2.922 -4.834
44 1HD2 ASN 7 1HD2 ASN 7 5.145 3.801 -5.303
45 2HD2 ASN 7 2HD2 ASN 7 5.180 5.290 -4.487
46 H CYS 8 H CYS 8 2.443 3.450 -0.884
47 HA CYS 8 HA CYS 8 -0.337 4.285 -1.288
48 1HB CYS 8 2HB CYS 8 -1.400 2.852 0.232
49 2HB CYS 8 1HB CYS 8 -0.233 1.762 -0.512
50 H CYS 9 H CYS 9 2.236 3.725 1.084
51 HA CYS 9 HA CYS 9 1.683 6.397 2.270
52 1HB CYS 9 2HB CYS 9 2.037 3.936 3.964
53 2HB CYS 9 1HB CYS 9 1.129 5.403 4.319
54 HA PRO 10 HA PRO 10 6.098 6.479 2.456
55 1HB PRO 10 2HB PRO 10 6.460 8.263 4.508
56 2HB PRO 10 1HB PRO 10 5.937 8.744 2.882
57 1HG PRO 10 2HG PRO 10 4.323 8.373 5.359
58 2HG PRO 10 1HG PRO 10 4.177 9.595 4.084
59 1HD PRO 10 2HD PRO 10 2.543 7.425 4.269
60 2HD PRO 10 1HD PRO 10 2.929 8.239 2.736
61 H ASN 11 H ASN 11 5.259 4.130 3.653
62 HA ASN 11 HA ASN 11 7.225 3.788 5.813
63 1HB ASN 11 2HB ASN 11 5.052 4.742 6.821
64 2HB ASN 11 1HB ASN 11 4.312 3.191 6.416
65 1HD2 ASN 11 1HD2 ASN 11 4.086 2.744 8.767
66 2HD2 ASN 11 2HD2 ASN 11 5.439 2.272 9.676
67 H MET 12 H MET 12 6.729 2.668 3.124
68 HA MET 12 HA MET 12 7.122 -0.130 3.701
69 1HB MET 12 2HB MET 12 4.494 0.645 3.914
70 2HB MET 12 1HB MET 12 4.570 0.174 2.218
71 1HG MET 12 2HG MET 12 5.979 -1.800 3.736
72 2HG MET 12 1HG MET 12 4.421 -1.528 4.514
73 1HE MET 12 1HE MET 12 2.133 -2.712 3.530
74 2HE MET 12 2HE MET 12 1.807 -2.135 1.896
75 3HE MET 12 3HE MET 12 2.383 -1.009 3.122
76 H SER 13 H SER 13 8.880 0.620 2.208
77 HA SER 13 HA SER 13 8.185 1.325 -0.554
78 1HB SER 13 2HB SER 13 10.810 0.496 0.744
79 2HB SER 13 1HB SER 13 10.646 1.288 -0.821
80 HG SER 13 HG SER 13 9.684 3.071 0.300
81 H GLY 14 H GLY 14 6.772 -0.747 -0.624
82 1HA GLY 14 2HA GLY 14 8.131 -2.764 -2.194
83 2HA GLY 14 1HA GLY 14 7.741 -3.361 -0.580
84 H CYS 15 H CYS 15 5.903 -4.584 -0.715
85 HA CYS 15 HA CYS 15 3.531 -3.401 -2.111
86 1HB CYS 15 2HB CYS 15 5.153 -5.545 -3.026
87 2HB CYS 15 1HB CYS 15 3.645 -6.263 -2.463
88 H GLY 16 H GLY 16 1.561 -3.912 -1.123
89 1HA GLY 16 2HA GLY 16 1.243 -6.028 0.820
90 2HA GLY 16 1HA GLY 16 1.453 -4.474 1.624
91 H VAL 17 H VAL 17 -0.921 -5.505 2.136
92 HA VAL 17 HA VAL 17 -2.911 -4.760 0.094
93 HB VAL 17 HB VAL 17 -3.035 -6.797 1.570
94 1HG1 VAL 17 1HG1 VAL 17 -4.085 -5.209 3.832
95 2HG1 VAL 17 2HG1 VAL 17 -2.341 -5.103 3.599
96 3HG1 VAL 17 3HG1 VAL 17 -3.103 -6.675 3.845
97 1HG2 VAL 17 1HG2 VAL 17 -5.174 -6.557 0.882
98 2HG2 VAL 17 2HG2 VAL 17 -5.144 -4.809 1.117
99 3HG2 VAL 17 3HG2 VAL 17 -5.490 -5.879 2.477
100 H CYS 18 H CYS 18 -4.077 -2.860 0.092
101 HA CYS 18 HA CYS 18 -3.799 -1.062 2.483
102 1HB CYS 18 2HB CYS 18 -3.874 0.765 0.581
103 2HB CYS 18 1HB CYS 18 -2.365 -0.076 0.912
104 H CYS 19 H CYS 19 -5.682 0.193 2.964
105 HA CYS 19 HA CYS 19 -8.154 -0.608 1.455
106 1HB CYS 19 2HB CYS 19 -7.813 0.191 4.364
107 2HB CYS 19 1HB CYS 19 -9.281 -0.434 3.612
108 H ARG 20 H ARG 20 -6.159 1.936 1.500
109 HA ARG 20 HA ARG 20 -8.262 4.019 1.904
110 1HB ARG 20 2HB ARG 20 -5.307 4.381 1.311
111 2HB ARG 20 1HB ARG 20 -6.396 5.535 2.077
112 1HG ARG 20 2HG ARG 20 -6.684 3.760 3.923
113 2HG ARG 20 1HG ARG 20 -5.259 2.981 3.239
114 1HD ARG 20 2HD ARG 20 -3.876 4.509 4.176
115 2HD ARG 20 1HD ARG 20 -4.870 5.870 3.617
116 HE ARG 20 HE ARG 20 -6.450 4.897 5.601
117 1HH1 ARG 20 1HH2 ARG 20 -3.022 5.536 5.491
118 2HH1 ARG 20 2HH2 ARG 20 -2.880 5.759 7.202
119 1HH2 ARG 20 1HH1 ARG 20 -6.260 5.209 7.824
120 2HH2 ARG 20 2HH1 ARG 20 -4.717 5.575 8.523
121 H PHE 21 H PHE 21 -9.402 4.378 0.035
122 HA PHE 21 HA PHE 21 -7.929 4.913 -2.479
123 1HB PHE 21 2HB PHE 21 -9.923 2.686 -1.995
124 2HB PHE 21 1HB PHE 21 -9.666 3.345 -3.609
125 HD1 PHE 21 1HD PHE 21 -8.566 0.960 -1.250
126 HD2 PHE 21 2HD PHE 21 -7.138 3.539 -4.371
127 HE1 PHE 21 1HE PHE 21 -6.554 -0.466 -1.505
128 HE2 PHE 21 2HE PHE 21 -5.122 2.113 -4.627
129 HZ PHE 21 HZ PHE 21 -4.833 0.107 -3.194
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -13.553 -4.108 -1.677
2 2H GLY 1 2HT GLY 1 -13.488 -2.715 -0.713
3 3H GLY 1 3HT GLY 1 -14.759 -3.825 -0.518
4 1HA GLY 1 2HA GLY 1 -13.406 -4.383 1.249
5 2HA GLY 1 1HA GLY 1 -12.883 -5.509 -0.005
6 H CYS 2 H CYS 2 -10.670 -5.674 0.476
7 HA CYS 2 HA CYS 2 -9.106 -3.103 0.460
8 1HB CYS 2 2HB CYS 2 -9.333 -5.133 2.393
9 2HB CYS 2 1HB CYS 2 -7.771 -5.409 1.622
10 H ARG 3 H ARG 3 -7.475 -2.981 -1.045
11 HA ARG 3 HA ARG 3 -6.894 -5.430 -2.693
12 1HB ARG 3 2HB ARG 3 -7.009 -2.471 -3.392
13 2HB ARG 3 1HB ARG 3 -6.421 -3.709 -4.504
14 1HG ARG 3 2HG ARG 3 -8.811 -4.794 -3.728
15 2HG ARG 3 1HG ARG 3 -9.178 -3.069 -3.666
16 1HD ARG 3 2HD ARG 3 -9.548 -3.261 -5.919
17 2HD ARG 3 1HD ARG 3 -7.777 -3.286 -6.055
18 HE ARG 3 HE ARG 3 -8.771 -5.915 -5.373
19 1HH1 ARG 3 1HH2 ARG 3 -8.433 -3.638 -7.993
20 2HH1 ARG 3 2HH2 ARG 3 -8.416 -4.874 -9.212
21 1HH2 ARG 3 1HH1 ARG 3 -8.724 -7.493 -6.981
22 2HH2 ARG 3 2HH1 ARG 3 -8.585 -7.033 -8.646
23 H PHE 4 H PHE 4 -4.622 -5.613 -3.409
24 HA PHE 4 HA PHE 4 -2.740 -4.598 -1.378
25 1HB PHE 4 2HB PHE 4 -2.976 -6.899 -2.838
26 2HB PHE 4 1HB PHE 4 -1.766 -6.039 -3.787
27 HD1 PHE 4 1HD PHE 4 -2.496 -6.302 -0.107
28 HD2 PHE 4 2HD PHE 4 0.378 -6.766 -3.267
29 HE1 PHE 4 1HE PHE 4 -0.756 -6.891 1.563
30 HE2 PHE 4 2HE PHE 4 2.109 -7.352 -1.603
31 HZ PHE 4 HZ PHE 4 1.551 -7.404 0.811
32 H CYS 5 H CYS 5 -1.332 -2.884 -1.656
33 HA CYS 5 HA CYS 5 -1.003 -1.744 -4.421
34 1HB CYS 5 2HB CYS 5 -1.339 0.491 -3.400
35 2HB CYS 5 1HB CYS 5 -2.742 -0.546 -3.133
36 H CYS 6 H CYS 6 1.050 -0.655 -4.737
37 HA CYS 6 HA CYS 6 3.137 -1.352 -2.706
38 1HB CYS 6 2HB CYS 6 3.040 -0.968 -5.677
39 2HB CYS 6 1HB CYS 6 4.558 -0.648 -4.842
40 H ASN 7 H ASN 7 1.338 1.039 -2.483
41 HA ASN 7 HA ASN 7 3.434 3.040 -1.998
42 1HB ASN 7 2HB ASN 7 2.368 2.908 -4.542
43 2HB ASN 7 1HB ASN 7 1.357 4.137 -3.782
44 1HD2 ASN 7 1HD2 ASN 7 4.887 3.321 -3.593
45 2HD2 ASN 7 2HD2 ASN 7 5.405 4.917 -3.856
46 H CYS 8 H CYS 8 1.944 2.085 -0.020
47 HA CYS 8 HA CYS 8 -0.552 3.648 0.339
48 1HB CYS 8 2HB CYS 8 -0.913 2.206 2.169
49 2HB CYS 8 1HB CYS 8 0.015 1.179 1.077
50 H CYS 9 H CYS 9 2.707 3.402 1.673
51 HA CYS 9 HA CYS 9 2.401 6.062 2.957
52 1HB CYS 9 2HB CYS 9 3.496 3.708 4.480
53 2HB CYS 9 1HB CYS 9 2.635 5.118 5.093
54 HA PRO 10 HA PRO 10 6.580 6.271 1.455
55 1HB PRO 10 2HB PRO 10 7.435 8.439 2.896
56 2HB PRO 10 1HB PRO 10 6.358 8.568 1.493
57 1HG PRO 10 2HG PRO 10 5.707 8.663 4.396
58 2HG PRO 10 1HG PRO 10 5.022 9.594 3.054
59 1HD PRO 10 2HD PRO 10 3.776 7.453 4.200
60 2HD PRO 10 1HD PRO 10 3.518 7.958 2.515
61 H ASN 11 H ASN 11 6.483 4.178 3.152
62 HA ASN 11 HA ASN 11 9.011 4.380 4.661
63 1HB ASN 11 2HB ASN 11 6.961 5.242 6.052
64 2HB ASN 11 1HB ASN 11 6.550 3.532 6.185
65 1HD2 ASN 11 1HD2 ASN 11 9.295 5.801 6.774
66 2HD2 ASN 11 2HD2 ASN 11 9.952 4.894 8.049
67 H MET 12 H MET 12 7.874 2.744 2.414
68 HA MET 12 HA MET 12 8.510 0.063 3.529
69 1HB MET 12 2HB MET 12 5.968 0.734 3.526
70 2HB MET 12 1HB MET 12 6.077 0.448 1.790
71 1HG MET 12 2HG MET 12 7.382 -1.741 2.975
72 2HG MET 12 1HG MET 12 5.941 -1.478 3.957
73 1HE MET 12 1HE MET 12 3.996 -2.043 3.654
74 2HE MET 12 2HE MET 12 3.214 -2.865 2.309
75 3HE MET 12 3HE MET 12 3.269 -1.104 2.343
76 H SER 13 H SER 13 9.221 -1.407 1.883
77 HA SER 13 HA SER 13 9.742 -0.139 -0.796
78 1HB SER 13 2HB SER 13 11.663 -2.135 -0.370
79 2HB SER 13 1HB SER 13 11.911 -0.401 -0.172
80 HG SER 13 HG SER 13 11.556 -2.412 1.719
81 H GLY 14 H GLY 14 7.351 -1.568 -0.408
82 1HA GLY 14 2HA GLY 14 7.658 -3.698 -2.371
83 2HA GLY 14 1HA GLY 14 7.295 -4.322 -0.762
84 H CYS 15 H CYS 15 5.160 -4.853 -0.771
85 HA CYS 15 HA CYS 15 3.201 -2.767 -1.670
86 1HB CYS 15 2HB CYS 15 3.786 -5.336 -2.806
87 2HB CYS 15 1HB CYS 15 2.167 -5.386 -2.115
88 H GLY 16 H GLY 16 1.249 -2.734 -0.465
89 1HA GLY 16 2HA GLY 16 1.055 -4.620 1.834
90 2HA GLY 16 1HA GLY 16 0.990 -2.883 2.140
91 H VAL 17 H VAL 17 -1.207 -4.046 2.978
92 HA VAL 17 HA VAL 17 -3.216 -4.396 0.877
93 HB VAL 17 HB VAL 17 -3.060 -5.606 3.115
94 1HG1 VAL 17 1HG1 VAL 17 -4.462 -3.230 4.307
95 2HG1 VAL 17 2HG1 VAL 17 -2.700 -3.281 4.298
96 3HG1 VAL 17 3HG1 VAL 17 -3.613 -4.547 5.118
97 1HG2 VAL 17 1HG2 VAL 17 -5.092 -5.892 1.950
98 2HG2 VAL 17 2HG2 VAL 17 -5.568 -4.210 2.183
99 3HG2 VAL 17 3HG2 VAL 17 -5.601 -5.334 3.542
100 H CYS 18 H CYS 18 -4.665 -2.868 0.167
101 HA CYS 18 HA CYS 18 -4.578 -0.150 1.453
102 1HB CYS 18 2HB CYS 18 -4.197 -1.150 -1.292
103 2HB CYS 18 1HB CYS 18 -5.341 0.189 -1.190
104 H CYS 19 H CYS 19 -6.564 0.415 2.273
105 HA CYS 19 HA CYS 19 -9.015 -0.880 1.108
106 1HB CYS 19 2HB CYS 19 -8.005 -0.357 3.816
107 2HB CYS 19 1HB CYS 19 -9.677 0.160 3.603
108 H ARG 20 H ARG 20 -7.341 2.070 1.290
109 HA ARG 20 HA ARG 20 -9.850 3.691 1.061
110 1HB ARG 20 2HB ARG 20 -6.980 4.311 1.812
111 2HB ARG 20 1HB ARG 20 -8.188 5.563 1.528
112 1HG ARG 20 2HG ARG 20 -9.255 3.520 3.283
113 2HG ARG 20 1HG ARG 20 -7.744 4.159 3.931
114 1HD ARG 20 2HD ARG 20 -10.078 5.884 3.017
115 2HD ARG 20 1HD ARG 20 -9.717 5.485 4.702
116 HE ARG 20 HE ARG 20 -7.567 6.666 4.475
117 1HH1 ARG 20 1HH2 ARG 20 -9.802 7.061 1.815
118 2HH1 ARG 20 2HH2 ARG 20 -9.056 8.510 1.257
119 1HH2 ARG 20 1HH1 ARG 20 -6.630 8.562 3.725
120 2HH2 ARG 20 2HH1 ARG 20 -7.274 9.362 2.332
121 H PHE 21 H PHE 21 -10.298 4.577 -0.925
122 HA PHE 21 HA PHE 21 -8.086 4.948 -2.896
123 1HB PHE 21 2HB PHE 21 -10.652 3.360 -3.224
124 2HB PHE 21 1HB PHE 21 -9.680 3.888 -4.595
125 HD1 PHE 21 1HD PHE 21 -7.457 2.953 -5.008
126 HD2 PHE 21 2HD PHE 21 -9.822 1.668 -1.660
127 HE1 PHE 21 1HE PHE 21 -5.941 1.012 -4.685
128 HE2 PHE 21 2HE PHE 21 -8.310 -0.260 -1.331
129 HZ PHE 21 HZ PHE 21 -6.363 -0.595 -2.847
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -13.781 -2.789 1.508
2 2H GLY 1 2HT GLY 1 -14.944 -3.984 1.182
3 3H GLY 1 3HT GLY 1 -14.211 -3.130 -0.090
4 1HA GLY 1 2HA GLY 1 -13.061 -5.229 1.633
5 2HA GLY 1 1HA GLY 1 -13.101 -5.143 -0.129
6 H CYS 2 H CYS 2 -10.688 -5.546 0.207
7 HA CYS 2 HA CYS 2 -9.264 -2.918 0.337
8 1HB CYS 2 2HB CYS 2 -8.726 -5.459 1.902
9 2HB CYS 2 1HB CYS 2 -7.505 -4.203 1.701
10 H ARG 3 H ARG 3 -7.130 -3.031 -0.770
11 HA ARG 3 HA ARG 3 -6.793 -5.415 -2.568
12 1HB ARG 3 2HB ARG 3 -6.872 -2.452 -3.227
13 2HB ARG 3 1HB ARG 3 -6.186 -3.642 -4.334
14 1HG ARG 3 2HG ARG 3 -8.422 -4.904 -4.087
15 2HG ARG 3 1HG ARG 3 -9.041 -3.416 -3.369
16 1HD ARG 3 2HD ARG 3 -9.547 -2.971 -5.596
17 2HD ARG 3 1HD ARG 3 -7.880 -2.360 -5.566
18 HE ARG 3 HE ARG 3 -8.038 -5.236 -6.094
19 1HH1 ARG 3 1HH2 ARG 3 -8.061 -2.038 -7.452
20 2HH1 ARG 3 2HH2 ARG 3 -7.628 -2.563 -9.040
21 1HH2 ARG 3 1HH1 ARG 3 -7.331 -5.901 -8.160
22 2HH2 ARG 3 2HH1 ARG 3 -7.199 -4.743 -9.439
23 H PHE 4 H PHE 4 -4.558 -5.745 -3.250
24 HA PHE 4 HA PHE 4 -2.566 -4.721 -1.323
25 1HB PHE 4 2HB PHE 4 -2.970 -7.112 -2.521
26 2HB PHE 4 1HB PHE 4 -1.865 -6.406 -3.698
27 HD1 PHE 4 1HD PHE 4 0.311 -7.148 -3.383
28 HD2 PHE 4 2HD PHE 4 -2.124 -6.291 0.052
29 HE1 PHE 4 1HE PHE 4 2.229 -7.660 -1.896
30 HE2 PHE 4 2HE PHE 4 -0.202 -6.802 1.536
31 HZ PHE 4 HZ PHE 4 1.973 -7.485 0.563
32 H CYS 5 H CYS 5 -1.088 -3.070 -1.840
33 HA CYS 5 HA CYS 5 -0.695 -2.361 -4.707
34 1HB CYS 5 2HB CYS 5 -1.616 -0.210 -4.491
35 2HB CYS 5 1HB CYS 5 -2.708 -1.179 -3.505
36 H CYS 6 H CYS 6 1.230 -1.134 -5.086
37 HA CYS 6 HA CYS 6 3.229 -1.266 -2.874
38 1HB CYS 6 2HB CYS 6 3.245 -1.100 -5.880
39 2HB CYS 6 1HB CYS 6 4.676 -0.587 -4.990
40 H ASN 7 H ASN 7 1.307 0.757 -2.516
41 HA ASN 7 HA ASN 7 2.913 3.157 -2.330
42 1HB ASN 7 2HB ASN 7 2.257 2.823 -4.851
43 2HB ASN 7 1HB ASN 7 0.655 3.342 -4.331
44 1HD2 ASN 7 1HD2 ASN 7 4.051 4.434 -3.675
45 2HD2 ASN 7 2HD2 ASN 7 3.706 6.080 -3.909
46 H CYS 8 H CYS 8 1.672 2.180 -0.261
47 HA CYS 8 HA CYS 8 -1.089 3.334 -0.042
48 1HB CYS 8 2HB CYS 8 -1.400 1.760 1.688
49 2HB CYS 8 1HB CYS 8 -0.331 0.890 0.588
50 H CYS 9 H CYS 9 2.109 3.335 1.432
51 HA CYS 9 HA CYS 9 1.484 5.864 2.853
52 1HB CYS 9 2HB CYS 9 2.727 3.543 4.306
53 2HB CYS 9 1HB CYS 9 1.696 4.822 4.940
54 HA PRO 10 HA PRO 10 5.711 6.577 1.682
55 1HB PRO 10 2HB PRO 10 6.364 8.545 3.473
56 2HB PRO 10 1HB PRO 10 5.332 8.820 2.057
57 1HG PRO 10 2HG PRO 10 4.565 8.413 4.905
58 2HG PRO 10 1HG PRO 10 3.881 9.513 3.698
59 1HD PRO 10 2HD PRO 10 2.708 7.162 4.411
60 2HD PRO 10 1HD PRO 10 2.518 7.902 2.805
61 H ASN 11 H ASN 11 5.521 4.260 3.225
62 HA ASN 11 HA ASN 11 8.091 4.263 4.643
63 1HB ASN 11 2HB ASN 11 6.109 5.097 6.178
64 2HB ASN 11 1HB ASN 11 5.687 3.387 6.235
65 1HD2 ASN 11 1HD2 ASN 11 7.741 1.914 6.749
66 2HD2 ASN 11 2HD2 ASN 11 8.771 2.507 7.961
67 H MET 12 H MET 12 7.327 2.859 2.344
68 HA MET 12 HA MET 12 7.283 0.048 3.351
69 1HB MET 12 2HB MET 12 5.118 1.447 2.160
70 2HB MET 12 1HB MET 12 5.719 0.335 0.931
71 1HG MET 12 2HG MET 12 5.445 -0.743 3.695
72 2HG MET 12 1HG MET 12 3.951 -0.424 2.812
73 1HE MET 12 1HE MET 12 4.455 -3.855 3.225
74 2HE MET 12 2HE MET 12 5.521 -2.728 4.062
75 3HE MET 12 3HE MET 12 6.205 -3.952 2.995
76 H SER 13 H SER 13 8.482 -1.369 2.062
77 HA SER 13 HA SER 13 9.955 -0.159 -0.257
78 1HB SER 13 2HB SER 13 11.359 -2.397 0.609
79 2HB SER 13 1HB SER 13 11.712 -0.735 1.072
80 HG SER 13 HG SER 13 11.434 -1.880 2.951
81 H GLY 14 H GLY 14 7.303 -1.459 -0.461
82 1HA GLY 14 2HA GLY 14 7.745 -3.154 -2.696
83 2HA GLY 14 1HA GLY 14 7.464 -4.174 -1.283
84 H CYS 15 H CYS 15 5.378 -4.826 -1.283
85 HA CYS 15 HA CYS 15 3.267 -2.806 -1.976
86 1HB CYS 15 2HB CYS 15 3.862 -5.502 -2.933
87 2HB CYS 15 1HB CYS 15 2.203 -5.355 -2.357
88 H GLY 16 H GLY 16 1.414 -2.777 -0.636
89 1HA GLY 16 2HA GLY 16 1.396 -4.645 1.687
90 2HA GLY 16 1HA GLY 16 1.321 -2.906 1.983
91 H VAL 17 H VAL 17 -0.794 -4.009 2.993
92 HA VAL 17 HA VAL 17 -2.970 -4.475 1.077
93 HB VAL 17 HB VAL 17 -2.956 -4.056 4.091
94 1HG1 VAL 17 1HG1 VAL 17 -5.023 -4.993 2.114
95 2HG1 VAL 17 2HG1 VAL 17 -5.200 -3.847 3.443
96 3HG1 VAL 17 3HG1 VAL 17 -5.064 -5.574 3.779
97 1HG2 VAL 17 1HG2 VAL 17 -2.854 -6.475 4.270
98 2HG2 VAL 17 2HG2 VAL 17 -1.519 -5.954 3.243
99 3HG2 VAL 17 3HG2 VAL 17 -2.966 -6.654 2.519
100 H CYS 18 H CYS 18 -4.198 -2.859 0.188
101 HA CYS 18 HA CYS 18 -4.279 -0.204 1.596
102 1HB CYS 18 2HB CYS 18 -4.367 -0.596 -1.407
103 2HB CYS 18 1HB CYS 18 -3.904 0.847 -0.502
104 H CYS 19 H CYS 19 -6.374 0.246 2.162
105 HA CYS 19 HA CYS 19 -8.592 -1.052 0.636
106 1HB CYS 19 2HB CYS 19 -8.617 0.370 3.329
107 2HB CYS 19 1HB CYS 19 -9.892 -0.657 2.669
108 H ARG 20 H ARG 20 -7.603 2.094 2.005
109 HA ARG 20 HA ARG 20 -9.530 3.441 0.153
110 1HB ARG 20 2HB ARG 20 -9.253 5.372 1.724
111 2HB ARG 20 1HB ARG 20 -9.769 3.922 2.579
112 1HG ARG 20 2HG ARG 20 -6.865 4.056 2.427
113 2HG ARG 20 1HG ARG 20 -7.521 5.508 3.178
114 1HD ARG 20 2HD ARG 20 -8.390 2.715 4.014
115 2HD ARG 20 1HD ARG 20 -7.042 3.567 4.784
116 HE ARG 20 HE ARG 20 -9.890 4.273 5.041
117 1HH1 ARG 20 1HH2 ARG 20 -6.619 5.455 5.132
118 2HH1 ARG 20 2HH2 ARG 20 -6.970 6.699 6.268
119 1HH2 ARG 20 1HH1 ARG 20 -10.327 5.881 6.555
120 2HH2 ARG 20 2HH1 ARG 20 -9.079 6.942 7.069
121 H PHE 21 H PHE 21 -8.691 5.201 -1.180
122 HA PHE 21 HA PHE 21 -5.698 5.271 -1.410
123 1HB PHE 21 2HB PHE 21 -7.854 5.040 -3.536
124 2HB PHE 21 1HB PHE 21 -6.163 5.374 -3.893
125 HD1 PHE 21 1HD PHE 21 -4.536 3.641 -3.956
126 HD2 PHE 21 2HD PHE 21 -8.429 2.887 -2.296
127 HE1 PHE 21 1HE PHE 21 -4.025 1.214 -3.856
128 HE2 PHE 21 2HE PHE 21 -7.912 0.470 -2.184
129 HZ PHE 21 HZ PHE 21 -5.711 -0.374 -2.960
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -14.492 -4.728 0.094
2 2H GLY 1 2HT GLY 1 -13.205 -5.809 -0.131
3 3H GLY 1 3HT GLY 1 -13.082 -4.209 -0.685
4 1HA GLY 1 2HA GLY 1 -13.580 -3.764 1.889
5 2HA GLY 1 1HA GLY 1 -12.706 -5.295 1.978
6 H CYS 2 H CYS 2 -10.503 -5.350 1.265
7 HA CYS 2 HA CYS 2 -9.270 -2.640 0.852
8 1HB CYS 2 2HB CYS 2 -8.968 -4.448 2.959
9 2HB CYS 2 1HB CYS 2 -7.566 -4.784 1.935
10 H ARG 3 H ARG 3 -7.314 -2.658 -0.533
11 HA ARG 3 HA ARG 3 -7.145 -5.043 -2.351
12 1HB ARG 3 2HB ARG 3 -8.083 -2.463 -2.907
13 2HB ARG 3 1HB ARG 3 -6.449 -2.489 -3.573
14 1HG ARG 3 2HG ARG 3 -7.423 -4.955 -4.330
15 2HG ARG 3 1HG ARG 3 -8.857 -3.937 -4.452
16 1HD ARG 3 2HD ARG 3 -6.210 -3.076 -5.661
17 2HD ARG 3 1HD ARG 3 -7.375 -4.073 -6.555
18 HE ARG 3 HE ARG 3 -8.500 -1.664 -5.277
19 1HH1 ARG 3 1HH2 ARG 3 -7.147 -3.118 -8.139
20 2HH1 ARG 3 2HH2 ARG 3 -7.887 -1.981 -9.212
21 1HH2 ARG 3 1HH1 ARG 3 -9.445 -0.172 -6.690
22 2HH2 ARG 3 2HH1 ARG 3 -9.181 -0.317 -8.393
23 H PHE 4 H PHE 4 -5.014 -5.384 -3.271
24 HA PHE 4 HA PHE 4 -2.849 -4.587 -1.440
25 1HB PHE 4 2HB PHE 4 -3.427 -6.854 -2.796
26 2HB PHE 4 1HB PHE 4 -2.385 -6.087 -3.993
27 HD1 PHE 4 1HD PHE 4 -2.497 -6.824 -0.309
28 HD2 PHE 4 2HD PHE 4 -0.075 -6.386 -3.834
29 HE1 PHE 4 1HE PHE 4 -0.501 -7.546 0.972
30 HE2 PHE 4 2HE PHE 4 1.920 -7.106 -2.549
31 HZ PHE 4 HZ PHE 4 1.708 -7.686 -0.146
32 H CYS 5 H CYS 5 -1.197 -3.099 -1.942
33 HA CYS 5 HA CYS 5 -0.916 -2.111 -4.725
34 1HB CYS 5 2HB CYS 5 -1.728 0.032 -4.317
35 2HB CYS 5 1HB CYS 5 -2.784 -0.915 -3.273
36 H CYS 6 H CYS 6 1.026 -0.758 -4.965
37 HA CYS 6 HA CYS 6 3.044 -1.279 -2.808
38 1HB CYS 6 2HB CYS 6 3.530 -0.643 -5.732
39 2HB CYS 6 1HB CYS 6 4.659 -1.358 -4.583
40 H ASN 7 H ASN 7 1.298 0.944 -2.556
41 HA ASN 7 HA ASN 7 3.204 3.114 -2.267
42 1HB ASN 7 2HB ASN 7 2.004 2.768 -4.799
43 2HB ASN 7 1HB ASN 7 1.131 4.106 -4.056
44 1HD2 ASN 7 1HD2 ASN 7 4.507 2.977 -4.641
45 2HD2 ASN 7 2HD2 ASN 7 5.151 4.542 -4.792
46 H CYS 8 H CYS 8 1.877 2.249 -0.212
47 HA CYS 8 HA CYS 8 -0.743 3.687 0.019
48 1HB CYS 8 2HB CYS 8 -1.271 2.090 1.649
49 2HB CYS 8 1HB CYS 8 -0.219 1.156 0.591
50 H CYS 9 H CYS 9 2.389 3.267 1.607
51 HA CYS 9 HA CYS 9 2.019 5.843 3.043
52 1HB CYS 9 2HB CYS 9 2.878 3.362 4.505
53 2HB CYS 9 1HB CYS 9 1.991 4.753 5.116
54 HA PRO 10 HA PRO 10 6.380 5.971 2.175
55 1HB PRO 10 2HB PRO 10 7.121 7.949 3.921
56 2HB PRO 10 1HB PRO 10 6.237 8.271 2.417
57 1HG PRO 10 2HG PRO 10 5.246 8.164 5.211
58 2HG PRO 10 1HG PRO 10 4.734 9.198 3.870
59 1HD PRO 10 2HD PRO 10 3.365 6.974 4.749
60 2HD PRO 10 1HD PRO 10 3.213 7.678 3.125
61 H ASN 11 H ASN 11 5.935 3.728 3.665
62 HA ASN 11 HA ASN 11 8.122 3.815 5.694
63 1HB ASN 11 2HB ASN 11 5.702 4.203 6.598
64 2HB ASN 11 1HB ASN 11 5.486 2.480 6.297
65 1HD2 ASN 11 1HD2 ASN 11 8.185 4.464 7.677
66 2HD2 ASN 11 2HD2 ASN 11 8.377 3.487 9.049
67 H MET 12 H MET 12 7.342 2.446 2.924
68 HA MET 12 HA MET 12 8.703 -0.071 3.522
69 1HB MET 12 2HB MET 12 6.748 -1.481 2.810
70 2HB MET 12 1HB MET 12 6.461 -0.608 4.314
71 1HG MET 12 2HG MET 12 5.283 1.169 3.008
72 2HG MET 12 1HG MET 12 5.482 0.191 1.554
73 1HE MET 12 1HE MET 12 5.100 -2.749 2.426
74 2HE MET 12 2HE MET 12 4.414 -1.921 1.027
75 3HE MET 12 3HE MET 12 3.375 -2.892 2.071
76 H SER 13 H SER 13 9.799 -0.687 1.687
77 HA SER 13 HA SER 13 9.149 0.718 -0.861
78 1HB SER 13 2HB SER 13 11.541 -0.870 0.132
79 2HB SER 13 1HB SER 13 11.450 -0.118 -1.461
80 HG SER 13 HG SER 13 11.719 1.800 -0.574
81 H GLY 14 H GLY 14 7.224 -1.169 -0.459
82 1HA GLY 14 2HA GLY 14 7.791 -3.112 -2.584
83 2HA GLY 14 1HA GLY 14 7.501 -3.829 -0.998
84 H CYS 15 H CYS 15 5.460 -4.660 -1.126
85 HA CYS 15 HA CYS 15 3.252 -2.798 -1.921
86 1HB CYS 15 2HB CYS 15 3.540 -5.745 -2.604
87 2HB CYS 15 1HB CYS 15 2.224 -4.692 -3.117
88 H GLY 16 H GLY 16 1.246 -3.192 -0.797
89 1HA GLY 16 2HA GLY 16 1.129 -5.330 1.216
90 2HA GLY 16 1HA GLY 16 1.253 -3.705 1.889
91 H VAL 17 H VAL 17 -0.955 -4.516 2.752
92 HA VAL 17 HA VAL 17 -3.199 -4.520 0.862
93 HB VAL 17 HB VAL 17 -3.161 -4.322 3.901
94 1HG1 VAL 17 1HG1 VAL 17 -5.228 -5.098 1.851
95 2HG1 VAL 17 2HG1 VAL 17 -5.362 -3.903 3.143
96 3HG1 VAL 17 3HG1 VAL 17 -5.350 -5.625 3.528
97 1HG2 VAL 17 1HG2 VAL 17 -3.630 -6.912 3.509
98 2HG2 VAL 17 2HG2 VAL 17 -1.976 -6.305 3.577
99 3HG2 VAL 17 3HG2 VAL 17 -2.734 -6.618 2.017
100 H CYS 18 H CYS 18 -4.346 -2.718 0.238
101 HA CYS 18 HA CYS 18 -3.946 -0.183 1.808
102 1HB CYS 18 2HB CYS 18 -4.214 -0.473 -1.199
103 2HB CYS 18 1HB CYS 18 -3.732 0.970 -0.305
104 H CYS 19 H CYS 19 -5.844 0.799 2.380
105 HA CYS 19 HA CYS 19 -8.369 -0.133 1.046
106 1HB CYS 19 2HB CYS 19 -7.532 0.450 3.849
107 2HB CYS 19 1HB CYS 19 -9.127 1.054 3.410
108 H ARG 20 H ARG 20 -6.530 2.121 0.193
109 HA ARG 20 HA ARG 20 -8.374 4.459 0.584
110 1HB ARG 20 2HB ARG 20 -6.153 4.920 1.348
111 2HB ARG 20 1HB ARG 20 -5.424 4.190 -0.086
112 1HG ARG 20 2HG ARG 20 -6.781 6.005 -1.384
113 2HG ARG 20 1HG ARG 20 -6.865 6.811 0.182
114 1HD ARG 20 2HD ARG 20 -4.243 6.261 0.151
115 2HD ARG 20 1HD ARG 20 -4.518 6.382 -1.595
116 HE ARG 20 HE ARG 20 -4.726 8.581 0.327
117 1HH1 ARG 20 1HH2 ARG 20 -5.857 7.311 -2.710
118 2HH1 ARG 20 2HH2 ARG 20 -6.166 8.854 -3.403
119 1HH2 ARG 20 1HH1 ARG 20 -5.182 10.629 -0.590
120 2HH2 ARG 20 2HH1 ARG 20 -5.848 10.739 -2.172
121 H PHE 21 H PHE 21 -9.779 4.588 -1.153
122 HA PHE 21 HA PHE 21 -8.631 4.592 -3.883
123 1HB PHE 21 2HB PHE 21 -10.739 2.699 -2.824
124 2HB PHE 21 1HB PHE 21 -10.579 3.024 -4.548
125 HD1 PHE 21 1HD PHE 21 -8.429 2.489 -5.712
126 HD2 PHE 21 2HD PHE 21 -9.202 1.292 -1.666
127 HE1 PHE 21 1HE PHE 21 -6.561 0.862 -5.844
128 HE2 PHE 21 2HE PHE 21 -7.342 -0.333 -1.796
129 HZ PHE 21 HZ PHE 21 -6.016 -0.555 -3.877
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 -14.659 -5.737 -2.460
2 2H GLY 1 2HT GLY 1 -13.102 -6.309 -2.822
3 3H GLY 1 3HT GLY 1 -13.398 -4.639 -2.712
4 1HA GLY 1 2HA GLY 1 -14.171 -5.249 -0.308
5 2HA GLY 1 1HA GLY 1 -13.099 -6.622 -0.577
6 H CYS 2 H CYS 2 -10.841 -6.255 -0.641
7 HA CYS 2 HA CYS 2 -9.957 -3.437 -0.042
8 1HB CYS 2 2HB CYS 2 -9.804 -5.674 1.540
9 2HB CYS 2 1HB CYS 2 -8.255 -5.757 0.704
10 H ARG 3 H ARG 3 -7.904 -2.818 -1.028
11 HA ARG 3 HA ARG 3 -7.188 -4.495 -3.412
12 1HB ARG 3 2HB ARG 3 -7.319 -1.505 -2.939
13 2HB ARG 3 1HB ARG 3 -6.466 -2.198 -4.318
14 1HG ARG 3 2HG ARG 3 -8.888 -3.524 -4.385
15 2HG ARG 3 1HG ARG 3 -9.341 -1.902 -3.853
16 1HD ARG 3 2HD ARG 3 -7.584 -1.264 -5.839
17 2HD ARG 3 1HD ARG 3 -8.256 -2.780 -6.476
18 HE ARG 3 HE ARG 3 -10.362 -1.103 -5.422
19 1HH1 ARG 3 1HH2 ARG 3 -8.217 -1.475 -8.118
20 2HH1 ARG 3 2HH2 ARG 3 -9.292 -0.733 -9.255
21 1HH2 ARG 3 1HH1 ARG 3 -11.738 -0.026 -6.854
22 2HH2 ARG 3 2HH1 ARG 3 -11.301 0.118 -8.522
23 H PHE 4 H PHE 4 -4.891 -4.582 -3.944
24 HA PHE 4 HA PHE 4 -3.125 -4.152 -1.570
25 1HB PHE 4 2HB PHE 4 -3.542 -6.313 -3.145
26 2HB PHE 4 1HB PHE 4 -2.240 -5.553 -4.058
27 HD1 PHE 4 1HD PHE 4 -2.939 -5.800 -0.376
28 HD2 PHE 4 2HD PHE 4 -0.240 -6.657 -3.607
29 HE1 PHE 4 1HE PHE 4 -1.282 -6.687 1.242
30 HE2 PHE 4 2HE PHE 4 1.420 -7.539 -1.989
31 HZ PHE 4 HZ PHE 4 0.899 -7.553 0.436
32 H CYS 5 H CYS 5 -1.572 -2.552 -1.637
33 HA CYS 5 HA CYS 5 -0.936 -1.341 -4.314
34 1HB CYS 5 2HB CYS 5 -0.952 0.279 -1.778
35 2HB CYS 5 1HB CYS 5 -1.271 0.803 -3.429
36 H CYS 6 H CYS 6 1.260 -0.604 -4.531
37 HA CYS 6 HA CYS 6 3.120 -1.427 -2.321
38 1HB CYS 6 2HB CYS 6 3.594 -1.594 -5.311
39 2HB CYS 6 1HB CYS 6 4.604 -2.281 -4.039
40 H ASN 7 H ASN 7 2.083 1.175 -2.533
41 HA ASN 7 HA ASN 7 4.480 2.790 -2.626
42 1HB ASN 7 2HB ASN 7 3.294 2.240 -5.110
43 2HB ASN 7 1HB ASN 7 2.699 3.846 -4.702
44 1HD2 ASN 7 1HD2 ASN 7 5.049 2.617 -6.516
45 2HD2 ASN 7 2HD2 ASN 7 6.326 3.682 -6.191
46 H CYS 8 H CYS 8 3.753 3.686 -0.664
47 HA CYS 8 HA CYS 8 1.361 5.484 -0.848
48 1HB CYS 8 2HB CYS 8 0.296 4.501 0.990
49 2HB CYS 8 1HB CYS 8 0.980 3.087 0.196
50 H CYS 9 H CYS 9 4.122 4.404 1.095
51 HA CYS 9 HA CYS 9 4.546 7.196 2.019
52 1HB CYS 9 2HB CYS 9 4.557 4.877 3.933
53 2HB CYS 9 1HB CYS 9 4.142 6.562 4.237
54 HA PRO 10 HA PRO 10 8.732 5.896 1.326
55 1HB PRO 10 2HB PRO 10 10.024 7.881 2.699
56 2HB PRO 10 1HB PRO 10 9.262 8.135 1.118
57 1HG PRO 10 2HG PRO 10 8.268 8.840 3.832
58 2HG PRO 10 1HG PRO 10 8.127 9.731 2.309
59 1HD PRO 10 2HD PRO 10 6.099 8.263 3.397
60 2HD PRO 10 1HD PRO 10 6.268 8.578 1.654
61 H ASN 11 H ASN 11 7.696 4.201 3.162
62 HA ASN 11 HA ASN 11 9.888 3.889 5.126
63 1HB ASN 11 2HB ASN 11 7.408 5.147 5.759
64 2HB ASN 11 1HB ASN 11 7.398 3.566 6.537
65 1HD2 ASN 11 1HD2 ASN 11 9.955 3.145 7.391
66 2HD2 ASN 11 2HD2 ASN 11 10.493 4.408 8.388
67 H MET 12 H MET 12 8.596 2.393 2.768
68 HA MET 12 HA MET 12 8.748 -0.283 3.873
69 1HB MET 12 2HB MET 12 6.493 0.685 4.661
70 2HB MET 12 1HB MET 12 5.998 0.618 2.970
71 1HG MET 12 2HG MET 12 6.258 -1.763 2.894
72 2HG MET 12 1HG MET 12 7.100 -1.786 4.445
73 1HE MET 12 1HE MET 12 4.111 -0.629 2.580
74 2HE MET 12 2HE MET 12 2.702 -0.939 3.590
75 3HE MET 12 3HE MET 12 3.534 -2.286 2.818
76 H SER 13 H SER 13 10.059 -0.784 2.061
77 HA SER 13 HA SER 13 9.170 -0.128 -0.672
78 1HB SER 13 2HB SER 13 11.562 -1.217 0.713
79 2HB SER 13 1HB SER 13 11.322 -1.775 -0.940
80 HG SER 13 HG SER 13 12.290 0.087 -1.329
81 H GLY 14 H GLY 14 7.094 -1.531 0.001
82 1HA GLY 14 2HA GLY 14 7.381 -4.088 -1.414
83 2HA GLY 14 1HA GLY 14 6.910 -4.236 0.280
84 H CYS 15 H CYS 15 4.755 -4.740 0.197
85 HA CYS 15 HA CYS 15 2.958 -2.831 -1.259
86 1HB CYS 15 2HB CYS 15 2.852 -5.864 -1.157
87 2HB CYS 15 1HB CYS 15 1.608 -4.845 -1.879
88 H GLY 16 H GLY 16 0.830 -2.633 -0.257
89 1HA GLY 16 2HA GLY 16 0.568 -3.882 2.446
90 2HA GLY 16 1HA GLY 16 0.385 -2.135 2.276
91 H VAL 17 H VAL 17 -1.695 -3.802 3.236
92 HA VAL 17 HA VAL 17 -3.592 -4.259 1.023
93 HB VAL 17 HB VAL 17 -4.017 -4.329 4.035
94 1HG1 VAL 17 1HG1 VAL 17 -5.600 -6.244 3.148
95 2HG1 VAL 17 2HG1 VAL 17 -5.491 -5.359 1.627
96 3HG1 VAL 17 3HG1 VAL 17 -6.126 -4.565 3.069
97 1HG2 VAL 17 1HG2 VAL 17 -2.160 -5.856 2.626
98 2HG2 VAL 17 2HG2 VAL 17 -3.580 -6.898 2.698
99 3HG2 VAL 17 3HG2 VAL 17 -2.866 -6.274 4.185
100 H CYS 18 H CYS 18 -4.937 -2.661 0.280
101 HA CYS 18 HA CYS 18 -5.353 -0.242 2.006
102 1HB CYS 18 2HB CYS 18 -5.711 -0.419 -0.987
103 2HB CYS 18 1HB CYS 18 -5.409 1.012 -0.008
104 H CYS 19 H CYS 19 -7.435 -0.013 2.755
105 HA CYS 19 HA CYS 19 -9.636 -1.371 1.221
106 1HB CYS 19 2HB CYS 19 -8.841 -1.266 4.042
107 2HB CYS 19 1HB CYS 19 -10.551 -0.900 3.801
108 H ARG 20 H ARG 20 -8.380 1.630 1.576
109 HA ARG 20 HA ARG 20 -11.045 2.987 1.778
110 1HB ARG 20 2HB ARG 20 -8.188 3.890 2.293
111 2HB ARG 20 1HB ARG 20 -9.558 5.001 2.266
112 1HG ARG 20 2HG ARG 20 -9.984 2.610 3.944
113 2HG ARG 20 1HG ARG 20 -8.682 3.666 4.498
114 1HD ARG 20 2HD ARG 20 -10.698 5.465 3.825
115 2HD ARG 20 1HD ARG 20 -11.576 4.114 4.559
116 HE ARG 20 HE ARG 20 -10.087 4.292 6.530
117 1HH1 ARG 20 1HH2 ARG 20 -10.021 6.948 4.267
118 2HH1 ARG 20 2HH2 ARG 20 -9.419 8.067 5.424
119 1HH2 ARG 20 1HH1 ARG 20 -9.318 5.782 8.026
120 2HH2 ARG 20 2HH1 ARG 20 -9.030 7.415 7.552
121 H PHE 21 H PHE 21 -11.813 3.344 -0.290
122 HA PHE 21 HA PHE 21 -9.980 4.617 -2.258
123 1HB PHE 21 2HB PHE 21 -11.582 2.066 -2.545
124 2HB PHE 21 1HB PHE 21 -11.118 3.012 -3.957
125 HD1 PHE 21 1HD PHE 21 -8.803 3.149 -4.680
126 HD2 PHE 21 2HD PHE 21 -9.878 1.026 -1.108
127 HE1 PHE 21 1HE PHE 21 -6.542 2.139 -4.599
128 HE2 PHE 21 2HE PHE 21 -7.623 0.019 -1.025
129 HZ PHE 21 HZ PHE 21 -5.947 0.566 -2.775
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 -14.340 -2.893 1.653
2 2H GLY 1 2HT GLY 1 -14.184 -2.425 0.030
3 3H GLY 1 3HT GLY 1 -13.089 -1.846 1.192
4 1HA GLY 1 2HA GLY 1 -12.933 -4.569 1.429
5 2HA GLY 1 1HA GLY 1 -13.023 -4.281 -0.306
6 H CYS 2 H CYS 2 -10.645 -5.272 0.693
7 HA CYS 2 HA CYS 2 -8.814 -2.878 0.630
8 1HB CYS 2 2HB CYS 2 -9.194 -4.902 2.568
9 2HB CYS 2 1HB CYS 2 -7.655 -5.265 1.789
10 H ARG 3 H ARG 3 -7.217 -2.959 -0.932
11 HA ARG 3 HA ARG 3 -6.966 -5.502 -2.523
12 1HB ARG 3 2HB ARG 3 -7.985 -3.072 -3.344
13 2HB ARG 3 1HB ARG 3 -6.287 -2.893 -3.776
14 1HG ARG 3 2HG ARG 3 -6.320 -4.666 -5.259
15 2HG ARG 3 1HG ARG 3 -7.701 -5.430 -4.483
16 1HD ARG 3 2HD ARG 3 -9.222 -3.809 -5.426
17 2HD ARG 3 1HD ARG 3 -7.890 -2.791 -5.987
18 HE ARG 3 HE ARG 3 -7.560 -5.431 -7.058
19 1HH1 ARG 3 1HH2 ARG 3 -9.563 -2.592 -7.344
20 2HH1 ARG 3 2HH2 ARG 3 -9.934 -2.878 -9.014
21 1HH2 ARG 3 1HH1 ARG 3 -8.025 -5.761 -9.221
22 2HH2 ARG 3 2HH1 ARG 3 -9.064 -4.663 -10.065
23 H PHE 4 H PHE 4 -4.773 -5.882 -3.393
24 HA PHE 4 HA PHE 4 -2.646 -5.020 -1.539
25 1HB PHE 4 2HB PHE 4 -3.148 -7.310 -2.787
26 2HB PHE 4 1HB PHE 4 -2.217 -6.570 -4.087
27 HD1 PHE 4 1HD PHE 4 0.106 -6.762 -4.064
28 HD2 PHE 4 2HD PHE 4 -2.065 -7.152 -0.377
29 HE1 PHE 4 1HE PHE 4 2.213 -7.337 -2.881
30 HE2 PHE 4 2HE PHE 4 0.042 -7.721 0.804
31 HZ PHE 4 HZ PHE 4 2.179 -7.819 -0.449
32 H CYS 5 H CYS 5 -1.242 -3.348 -1.933
33 HA CYS 5 HA CYS 5 -0.853 -2.412 -4.743
34 1HB CYS 5 2HB CYS 5 -1.766 -0.315 -4.343
35 2HB CYS 5 1HB CYS 5 -2.764 -1.275 -3.257
36 H CYS 6 H CYS 6 0.997 -0.853 -4.888
37 HA CYS 6 HA CYS 6 3.023 -1.411 -2.742
38 1HB CYS 6 2HB CYS 6 3.493 -0.775 -5.668
39 2HB CYS 6 1HB CYS 6 4.663 -1.418 -4.513
40 H ASN 7 H ASN 7 1.281 0.799 -2.433
41 HA ASN 7 HA ASN 7 3.143 2.984 -2.110
42 1HB ASN 7 2HB ASN 7 2.301 2.655 -4.705
43 2HB ASN 7 1HB ASN 7 1.117 3.813 -4.097
44 1HD2 ASN 7 1HD2 ASN 7 4.164 3.644 -5.505
45 2HD2 ASN 7 2HD2 ASN 7 4.768 5.144 -4.993
46 H CYS 8 H CYS 8 1.238 1.747 -0.398
47 HA CYS 8 HA CYS 8 -1.240 3.286 -0.254
48 1HB CYS 8 2HB CYS 8 -1.669 1.936 1.623
49 2HB CYS 8 1HB CYS 8 -0.554 0.918 0.718
50 H CYS 9 H CYS 9 1.885 3.347 1.383
51 HA CYS 9 HA CYS 9 1.347 6.091 2.376
52 1HB CYS 9 2HB CYS 9 2.348 3.965 4.249
53 2HB CYS 9 1HB CYS 9 1.339 5.365 4.600
54 HA PRO 10 HA PRO 10 5.653 6.446 1.435
55 1HB PRO 10 2HB PRO 10 6.374 8.463 3.149
56 2HB PRO 10 1HB PRO 10 5.424 8.733 1.673
57 1HG PRO 10 2HG PRO 10 4.508 8.526 4.503
58 2HG PRO 10 1HG PRO 10 3.966 9.617 3.217
59 1HD PRO 10 2HD PRO 10 2.572 7.410 3.966
60 2HD PRO 10 1HD PRO 10 2.544 8.062 2.311
61 H ASN 11 H ASN 11 5.464 4.193 2.855
62 HA ASN 11 HA ASN 11 7.753 4.313 4.741
63 1HB ASN 11 2HB ASN 11 4.894 3.704 5.433
64 2HB ASN 11 1HB ASN 11 6.170 2.833 6.282
65 1HD2 ASN 11 1HD2 ASN 11 8.076 4.533 6.969
66 2HD2 ASN 11 2HD2 ASN 11 7.488 5.931 7.732
67 H MET 12 H MET 12 5.179 2.173 3.423
68 HA MET 12 HA MET 12 6.779 -0.232 3.600
69 1HB MET 12 2HB MET 12 4.130 0.649 2.681
70 2HB MET 12 1HB MET 12 4.792 -0.656 1.700
71 1HG MET 12 2HG MET 12 4.701 -0.731 4.728
72 2HG MET 12 1HG MET 12 3.451 -1.432 3.699
73 1HE MET 12 1HE MET 12 5.745 -2.534 5.938
74 2HE MET 12 2HE MET 12 7.000 -1.617 5.110
75 3HE MET 12 3HE MET 12 7.111 -3.373 5.189
76 H SER 13 H SER 13 8.727 -0.110 2.439
77 HA SER 13 HA SER 13 8.830 0.999 -0.283
78 1HB SER 13 2HB SER 13 10.615 0.169 1.841
79 2HB SER 13 1HB SER 13 11.123 -0.563 0.323
80 HG SER 13 HG SER 13 12.054 1.375 0.227
81 H GLY 14 H GLY 14 6.874 -0.847 -0.470
82 1HA GLY 14 2HA GLY 14 7.830 -2.703 -2.427
83 2HA GLY 14 1HA GLY 14 7.570 -3.560 -0.906
84 H CYS 15 H CYS 15 5.601 -4.556 -0.969
85 HA CYS 15 HA CYS 15 3.251 -2.968 -1.933
86 1HB CYS 15 2HB CYS 15 3.913 -5.872 -2.530
87 2HB CYS 15 1HB CYS 15 2.465 -5.025 -3.075
88 H GLY 16 H GLY 16 1.298 -3.421 -0.803
89 1HA GLY 16 2HA GLY 16 1.233 -5.567 1.193
90 2HA GLY 16 1HA GLY 16 1.294 -3.947 1.887
91 H VAL 17 H VAL 17 -0.899 -4.847 2.698
92 HA VAL 17 HA VAL 17 -3.098 -4.903 0.764
93 HB VAL 17 HB VAL 17 -3.068 -4.806 3.804
94 1HG1 VAL 17 1HG1 VAL 17 -5.281 -6.089 3.378
95 2HG1 VAL 17 2HG1 VAL 17 -5.177 -5.440 1.740
96 3HG1 VAL 17 3HG1 VAL 17 -5.285 -4.344 3.119
97 1HG2 VAL 17 1HG2 VAL 17 -3.571 -7.368 3.284
98 2HG2 VAL 17 2HG2 VAL 17 -1.912 -6.777 3.371
99 3HG2 VAL 17 3HG2 VAL 17 -2.685 -7.005 1.803
100 H CYS 18 H CYS 18 -4.173 -3.103 0.062
101 HA CYS 18 HA CYS 18 -3.992 -0.590 1.707
102 1HB CYS 18 2HB CYS 18 -4.127 -0.860 -1.312
103 2HB CYS 18 1HB CYS 18 -3.778 0.605 -0.394
104 H CYS 19 H CYS 19 -5.992 0.106 2.337
105 HA CYS 19 HA CYS 19 -8.409 -0.995 0.982
106 1HB CYS 19 2HB CYS 19 -7.636 -0.033 3.664
107 2HB CYS 19 1HB CYS 19 -9.236 0.504 3.151
108 H ARG 20 H ARG 20 -7.136 2.154 2.137
109 HA ARG 20 HA ARG 20 -8.905 3.522 0.135
110 1HB ARG 20 2HB ARG 20 -7.524 4.601 2.615
111 2HB ARG 20 1HB ARG 20 -8.748 5.427 1.651
112 1HG ARG 20 2HG ARG 20 -10.116 3.167 2.205
113 2HG ARG 20 1HG ARG 20 -9.068 3.210 3.622
114 1HD ARG 20 2HD ARG 20 -9.803 5.635 3.946
115 2HD ARG 20 1HD ARG 20 -11.047 5.317 2.726
116 HE ARG 20 HE ARG 20 -10.764 3.723 5.255
117 1HH1 ARG 20 1HH2 ARG 20 -12.716 5.087 2.693
118 2HH1 ARG 20 2HH2 ARG 20 -14.188 4.445 3.321
119 1HH2 ARG 20 1HH1 ARG 20 -12.694 2.916 6.061
120 2HH2 ARG 20 2HH1 ARG 20 -14.179 3.213 5.222
121 H PHE 21 H PHE 21 -7.897 5.395 -0.997
122 HA PHE 21 HA PHE 21 -4.905 5.269 -1.134
123 1HB PHE 21 2HB PHE 21 -6.961 5.256 -3.372
124 2HB PHE 21 1HB PHE 21 -5.243 5.535 -3.641
125 HD1 PHE 21 1HD PHE 21 -3.700 3.728 -3.707
126 HD2 PHE 21 2HD PHE 21 -7.711 3.083 -2.319
127 HE1 PHE 21 1HE PHE 21 -3.314 1.280 -3.721
128 HE2 PHE 21 2HE PHE 21 -7.324 0.636 -2.324
129 HZ PHE 21 HZ PHE 21 -5.122 -0.269 -3.022
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 -13.448 -5.760 0.161
2 2H GLY 1 2HT GLY 1 -12.795 -4.456 -0.708
3 3H GLY 1 3HT GLY 1 -14.280 -4.282 0.091
4 1HA GLY 1 2HA GLY 1 -13.273 -3.586 1.911
5 2HA GLY 1 1HA GLY 1 -12.404 -5.116 1.986
6 H CYS 2 H CYS 2 -10.229 -5.147 1.416
7 HA CYS 2 HA CYS 2 -9.072 -2.529 0.500
8 1HB CYS 2 2HB CYS 2 -7.841 -4.693 2.242
9 2HB CYS 2 1HB CYS 2 -7.155 -3.105 1.898
10 H ARG 3 H ARG 3 -7.278 -2.688 -0.980
11 HA ARG 3 HA ARG 3 -7.088 -5.326 -2.406
12 1HB ARG 3 2HB ARG 3 -6.941 -2.449 -3.390
13 2HB ARG 3 1HB ARG 3 -6.633 -3.856 -4.407
14 1HG ARG 3 2HG ARG 3 -8.910 -4.695 -3.920
15 2HG ARG 3 1HG ARG 3 -9.224 -3.261 -2.945
16 1HD ARG 3 2HD ARG 3 -9.024 -1.810 -4.889
17 2HD ARG 3 1HD ARG 3 -8.466 -3.164 -5.892
18 HE ARG 3 HE ARG 3 -10.888 -4.023 -4.825
19 1HH1 ARG 3 1HH2 ARG 3 -9.784 -1.355 -6.709
20 2HH1 ARG 3 2HH2 ARG 3 -11.284 -1.135 -7.532
21 1HH2 ARG 3 1HH1 ARG 3 -12.859 -3.779 -5.905
22 2HH2 ARG 3 2HH1 ARG 3 -13.029 -2.515 -7.070
23 H PHE 4 H PHE 4 -4.916 -5.798 -3.293
24 HA PHE 4 HA PHE 4 -2.775 -4.830 -1.511
25 1HB PHE 4 2HB PHE 4 -3.380 -7.225 -2.629
26 2HB PHE 4 1HB PHE 4 -2.260 -6.621 -3.850
27 HD1 PHE 4 1HD PHE 4 -2.605 -7.133 -0.150
28 HD2 PHE 4 2HD PHE 4 0.064 -6.744 -3.497
29 HE1 PHE 4 1HE PHE 4 -0.682 -7.697 1.314
30 HE2 PHE 4 2HE PHE 4 1.979 -7.322 -2.034
31 HZ PHE 4 HZ PHE 4 1.610 -7.791 0.371
32 H CYS 5 H CYS 5 -1.209 -3.341 -2.098
33 HA CYS 5 HA CYS 5 -0.873 -2.653 -4.979
34 1HB CYS 5 2HB CYS 5 -1.180 -0.235 -4.385
35 2HB CYS 5 1HB CYS 5 -2.643 -1.191 -4.144
36 H CYS 6 H CYS 6 1.124 -1.476 -5.392
37 HA CYS 6 HA CYS 6 3.226 -1.947 -3.331
38 1HB CYS 6 2HB CYS 6 3.060 -1.630 -6.305
39 2HB CYS 6 1HB CYS 6 4.562 -1.153 -5.519
40 H ASN 7 H ASN 7 1.288 0.290 -3.075
41 HA ASN 7 HA ASN 7 3.118 2.436 -2.461
42 1HB ASN 7 2HB ASN 7 2.377 2.199 -5.160
43 2HB ASN 7 1HB ASN 7 1.337 3.477 -4.532
44 1HD2 ASN 7 1HD2 ASN 7 4.790 2.546 -3.947
45 2HD2 ASN 7 2HD2 ASN 7 5.393 4.119 -4.178
46 H CYS 8 H CYS 8 1.954 2.567 -0.492
47 HA CYS 8 HA CYS 8 -0.899 3.505 -0.725
48 1HB CYS 8 2HB CYS 8 -1.520 2.050 0.987
49 2HB CYS 8 1HB CYS 8 -0.269 1.092 0.199
50 H CYS 9 H CYS 9 2.029 3.469 1.269
51 HA CYS 9 HA CYS 9 1.377 6.185 2.280
52 1HB CYS 9 2HB CYS 9 2.120 3.988 4.191
53 2HB CYS 9 1HB CYS 9 1.080 5.384 4.456
54 HA PRO 10 HA PRO 10 5.795 6.498 1.997
55 1HB PRO 10 2HB PRO 10 6.275 8.480 3.826
56 2HB PRO 10 1HB PRO 10 5.550 8.785 2.236
57 1HG PRO 10 2HG PRO 10 4.244 8.575 4.903
58 2HG PRO 10 1HG PRO 10 3.881 9.659 3.551
59 1HD PRO 10 2HD PRO 10 2.422 7.425 4.136
60 2HD PRO 10 1HD PRO 10 2.552 8.123 2.506
61 H ASN 11 H ASN 11 5.183 4.260 3.449
62 HA ASN 11 HA ASN 11 7.265 4.240 5.563
63 1HB ASN 11 2HB ASN 11 4.309 4.094 5.957
64 2HB ASN 11 1HB ASN 11 5.283 2.978 6.908
65 1HD2 ASN 11 1HD2 ASN 11 7.178 4.073 8.140
66 2HD2 ASN 11 2HD2 ASN 11 6.893 5.627 8.763
67 H MET 12 H MET 12 6.480 2.860 2.839
68 HA MET 12 HA MET 12 7.330 0.158 3.646
69 1HB MET 12 2HB MET 12 4.546 0.921 3.246
70 2HB MET 12 1HB MET 12 5.024 -0.350 2.123
71 1HG MET 12 2HG MET 12 5.675 -1.810 3.894
72 2HG MET 12 1HG MET 12 5.644 -0.504 5.079
73 1HE MET 12 1HE MET 12 2.587 -3.138 3.323
74 2HE MET 12 2HE MET 12 4.008 -2.445 2.544
75 3HE MET 12 3HE MET 12 2.441 -1.643 2.400
76 H SER 13 H SER 13 9.012 0.156 2.139
77 HA SER 13 HA SER 13 8.526 1.049 -0.641
78 1HB SER 13 2HB SER 13 11.078 -0.206 -0.249
79 2HB SER 13 1HB SER 13 10.732 1.505 -0.452
80 HG SER 13 HG SER 13 10.605 1.744 1.721
81 H GLY 14 H GLY 14 6.808 -0.850 -0.622
82 1HA GLY 14 2HA GLY 14 7.880 -2.987 -2.253
83 2HA GLY 14 1HA GLY 14 7.469 -3.569 -0.639
84 H CYS 15 H CYS 15 5.513 -4.572 -0.740
85 HA CYS 15 HA CYS 15 3.241 -3.121 -2.026
86 1HB CYS 15 2HB CYS 15 4.614 -5.360 -3.076
87 2HB CYS 15 1HB CYS 15 3.087 -5.981 -2.449
88 H GLY 16 H GLY 16 1.361 -3.286 -0.831
89 1HA GLY 16 2HA GLY 16 1.047 -5.460 1.151
90 2HA GLY 16 1HA GLY 16 1.141 -3.827 1.809
91 H VAL 17 H VAL 17 -1.152 -5.068 2.343
92 HA VAL 17 HA VAL 17 -3.177 -4.626 0.266
93 HB VAL 17 HB VAL 17 -3.210 -6.464 1.978
94 1HG1 VAL 17 1HG1 VAL 17 -2.464 -4.687 3.808
95 2HG1 VAL 17 2HG1 VAL 17 -3.461 -6.072 4.252
96 3HG1 VAL 17 3HG1 VAL 17 -4.206 -4.493 4.007
97 1HG2 VAL 17 1HG2 VAL 17 -5.562 -4.554 2.125
98 2HG2 VAL 17 2HG2 VAL 17 -5.609 -6.282 2.474
99 3HG2 VAL 17 3HG2 VAL 17 -5.282 -5.719 0.833
100 H CYS 18 H CYS 18 -4.321 -2.760 -0.029
101 HA CYS 18 HA CYS 18 -4.249 -0.687 2.139
102 1HB CYS 18 2HB CYS 18 -4.239 0.901 0.036
103 2HB CYS 18 1HB CYS 18 -2.736 0.134 0.538
104 H CYS 19 H CYS 19 -6.227 0.330 2.502
105 HA CYS 19 HA CYS 19 -8.587 -0.683 0.981
106 1HB CYS 19 2HB CYS 19 -8.587 0.970 3.514
107 2HB CYS 19 1HB CYS 19 -9.822 -0.158 2.954
108 H ARG 20 H ARG 20 -7.210 2.365 2.245
109 HA ARG 20 HA ARG 20 -8.806 3.885 0.227
110 1HB ARG 20 2HB ARG 20 -9.044 4.322 2.715
111 2HB ARG 20 1HB ARG 20 -7.367 4.859 2.707
112 1HG ARG 20 2HG ARG 20 -8.212 6.385 0.702
113 2HG ARG 20 1HG ARG 20 -9.776 6.154 1.492
114 1HD ARG 20 2HD ARG 20 -9.140 7.901 2.818
115 2HD ARG 20 1HD ARG 20 -8.120 6.723 3.637
116 HE ARG 20 HE ARG 20 -6.251 7.419 2.223
117 1HH1 ARG 20 1HH2 ARG 20 -9.163 9.315 1.848
118 2HH1 ARG 20 2HH2 ARG 20 -8.324 10.677 1.205
119 1HH2 ARG 20 1HH1 ARG 20 -5.208 9.194 1.333
120 2HH2 ARG 20 2HH1 ARG 20 -6.103 10.605 0.905
121 H PHE 21 H PHE 21 -7.630 5.616 -0.916
122 HA PHE 21 HA PHE 21 -4.650 5.236 -0.966
123 1HB PHE 21 2HB PHE 21 -6.635 5.569 -3.249
124 2HB PHE 21 1HB PHE 21 -4.886 5.564 -3.457
125 HD1 PHE 21 1HD PHE 21 -7.769 3.522 -2.256
126 HD2 PHE 21 2HD PHE 21 -3.668 3.522 -3.529
127 HE1 PHE 21 1HE PHE 21 -7.789 1.043 -2.301
128 HE2 PHE 21 2HE PHE 21 -3.689 1.051 -3.582
129 HZ PHE 21 HZ PHE 21 -5.741 -0.199 -2.962
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 -14.055 -3.454 -0.201
2 2H GLY 1 2HT GLY 1 -14.344 -3.861 1.423
3 3H GLY 1 3HT GLY 1 -15.092 -4.738 0.175
4 1HA GLY 1 2HA GLY 1 -13.133 -5.856 1.266
5 2HA GLY 1 1HA GLY 1 -13.108 -5.758 -0.493
6 H CYS 2 H CYS 2 -10.654 -6.079 0.404
7 HA CYS 2 HA CYS 2 -9.423 -3.328 0.561
8 1HB CYS 2 2HB CYS 2 -9.342 -5.483 2.365
9 2HB CYS 2 1HB CYS 2 -7.775 -5.502 1.558
10 H ARG 3 H ARG 3 -7.285 -3.196 -0.502
11 HA ARG 3 HA ARG 3 -6.812 -5.335 -2.549
12 1HB ARG 3 2HB ARG 3 -7.196 -2.359 -2.873
13 2HB ARG 3 1HB ARG 3 -6.319 -3.299 -4.082
14 1HG ARG 3 2HG ARG 3 -8.395 -4.872 -4.028
15 2HG ARG 3 1HG ARG 3 -9.222 -3.497 -3.289
16 1HD ARG 3 2HD ARG 3 -8.354 -2.096 -5.253
17 2HD ARG 3 1HD ARG 3 -7.932 -3.642 -6.026
18 HE ARG 3 HE ARG 3 -10.264 -4.230 -6.105
19 1HH1 ARG 3 1HH2 ARG 3 -9.702 -1.193 -4.497
20 2HH1 ARG 3 2HH2 ARG 3 -11.350 -0.703 -4.569
21 1HH2 ARG 3 1HH1 ARG 3 -12.432 -3.627 -6.117
22 2HH2 ARG 3 2HH1 ARG 3 -12.911 -2.096 -5.471
23 H PHE 4 H PHE 4 -4.579 -5.332 -3.364
24 HA PHE 4 HA PHE 4 -2.628 -4.486 -1.306
25 1HB PHE 4 2HB PHE 4 -2.884 -6.680 -2.873
26 2HB PHE 4 1HB PHE 4 -1.799 -5.733 -3.887
27 HD1 PHE 4 1HD PHE 4 0.313 -6.705 -3.654
28 HD2 PHE 4 2HD PHE 4 -2.042 -5.936 -0.145
29 HE1 PHE 4 1HE PHE 4 2.224 -7.368 -2.223
30 HE2 PHE 4 2HE PHE 4 -0.125 -6.599 1.286
31 HZ PHE 4 HZ PHE 4 2.011 -7.311 0.247
32 H CYS 5 H CYS 5 -1.326 -2.706 -1.488
33 HA CYS 5 HA CYS 5 -1.261 -1.285 -4.147
34 1HB CYS 5 2HB CYS 5 -1.562 -0.328 -1.302
35 2HB CYS 5 1HB CYS 5 -0.955 0.759 -2.547
36 H CYS 6 H CYS 6 0.792 -0.323 -4.707
37 HA CYS 6 HA CYS 6 3.099 -1.150 -2.981
38 1HB CYS 6 2HB CYS 6 2.975 -0.790 -5.992
39 2HB CYS 6 1HB CYS 6 4.349 -1.401 -5.068
40 H ASN 7 H ASN 7 1.622 1.311 -2.706
41 HA ASN 7 HA ASN 7 3.748 3.240 -2.645
42 1HB ASN 7 2HB ASN 7 3.233 3.041 -5.135
43 2HB ASN 7 1HB ASN 7 1.634 3.696 -4.778
44 1HD2 ASN 7 1HD2 ASN 7 4.994 4.515 -5.207
45 2HD2 ASN 7 2HD2 ASN 7 4.828 6.181 -4.928
46 H CYS 8 H CYS 8 3.110 4.468 -0.910
47 HA CYS 8 HA CYS 8 0.543 5.777 -0.730
48 1HB CYS 8 2HB CYS 8 -0.644 4.407 0.731
49 2HB CYS 8 1HB CYS 8 0.200 3.189 -0.217
50 H CYS 9 H CYS 9 3.138 4.321 1.190
51 HA CYS 9 HA CYS 9 3.544 6.893 2.620
52 1HB CYS 9 2HB CYS 9 3.308 4.327 4.157
53 2HB CYS 9 1HB CYS 9 2.855 5.959 4.642
54 HA PRO 10 HA PRO 10 7.729 5.459 2.239
55 1HB PRO 10 2HB PRO 10 8.924 7.055 4.111
56 2HB PRO 10 1HB PRO 10 8.373 7.658 2.536
57 1HG PRO 10 2HG PRO 10 7.102 7.914 5.210
58 2HG PRO 10 1HG PRO 10 7.157 9.068 3.869
59 1HD PRO 10 2HD PRO 10 4.982 7.508 4.481
60 2HD PRO 10 1HD PRO 10 5.309 8.186 2.871
61 H ASN 11 H ASN 11 6.325 3.561 3.624
62 HA ASN 11 HA ASN 11 8.189 2.828 5.838
63 1HB ASN 11 2HB ASN 11 5.151 2.852 5.996
64 2HB ASN 11 1HB ASN 11 6.232 2.271 7.260
65 1HD2 ASN 11 1HD2 ASN 11 7.660 3.936 8.313
66 2HD2 ASN 11 2HD2 ASN 11 7.190 5.566 8.295
67 H MET 12 H MET 12 7.769 1.834 3.050
68 HA MET 12 HA MET 12 7.742 -1.007 3.593
69 1HB MET 12 2HB MET 12 5.599 -1.420 2.269
70 2HB MET 12 1HB MET 12 5.366 -0.695 3.858
71 1HG MET 12 2HG MET 12 4.432 1.151 2.955
72 2HG MET 12 1HG MET 12 5.782 1.354 1.840
73 1HE MET 12 1HE MET 12 2.648 -0.687 2.670
74 2HE MET 12 2HE MET 12 1.727 -0.578 1.172
75 3HE MET 12 3HE MET 12 2.115 0.889 2.069
76 H SER 13 H SER 13 9.526 -1.245 2.217
77 HA SER 13 HA SER 13 9.627 0.048 -0.418
78 1HB SER 13 2HB SER 13 11.360 -2.129 0.809
79 2HB SER 13 1HB SER 13 11.792 -1.090 -0.546
80 HG SER 13 HG SER 13 12.498 0.250 0.907
81 H GLY 14 H GLY 14 7.319 -1.258 -0.669
82 1HA GLY 14 2HA GLY 14 7.689 -3.120 -2.790
83 2HA GLY 14 1HA GLY 14 7.376 -4.035 -1.315
84 H CYS 15 H CYS 15 5.250 -4.379 -0.830
85 HA CYS 15 HA CYS 15 3.214 -2.404 -1.781
86 1HB CYS 15 2HB CYS 15 3.133 -5.413 -2.157
87 2HB CYS 15 1HB CYS 15 1.889 -4.275 -2.671
88 H GLY 16 H GLY 16 1.227 -2.492 -0.551
89 1HA GLY 16 2HA GLY 16 1.209 -4.241 1.856
90 2HA GLY 16 1HA GLY 16 1.107 -2.496 2.092
91 H VAL 17 H VAL 17 -1.006 -3.950 2.999
92 HA VAL 17 HA VAL 17 -3.105 -4.215 0.968
93 HB VAL 17 HB VAL 17 -3.308 -4.197 4.002
94 1HG1 VAL 17 1HG1 VAL 17 -5.480 -4.166 2.999
95 2HG1 VAL 17 2HG1 VAL 17 -5.178 -5.847 3.439
96 3HG1 VAL 17 3HG1 VAL 17 -5.004 -5.330 1.762
97 1HG2 VAL 17 1HG2 VAL 17 -2.279 -6.257 2.077
98 2HG2 VAL 17 2HG2 VAL 17 -3.213 -6.802 3.471
99 3HG2 VAL 17 3HG2 VAL 17 -1.727 -5.880 3.706
100 H CYS 18 H CYS 18 -4.419 -2.570 0.299
101 HA CYS 18 HA CYS 18 -4.662 -0.140 2.054
102 1HB CYS 18 2HB CYS 18 -4.834 1.094 -0.169
103 2HB CYS 18 1HB CYS 18 -3.259 0.378 0.159
104 H CYS 19 H CYS 19 -6.762 0.464 2.487
105 HA CYS 19 HA CYS 19 -8.959 -0.898 0.947
106 1HB CYS 19 2HB CYS 19 -8.312 -0.610 3.771
107 2HB CYS 19 1HB CYS 19 -9.927 0.013 3.429
108 H ARG 20 H ARG 20 -7.491 1.892 0.749
109 HA ARG 20 HA ARG 20 -9.935 3.628 0.915
110 1HB ARG 20 2HB ARG 20 -6.968 4.295 0.853
111 2HB ARG 20 1HB ARG 20 -8.273 5.461 1.064
112 1HG ARG 20 2HG ARG 20 -8.945 4.368 3.155
113 2HG ARG 20 1HG ARG 20 -7.697 3.142 2.937
114 1HD ARG 20 2HD ARG 20 -6.477 5.739 2.710
115 2HD ARG 20 1HD ARG 20 -7.408 5.672 4.216
116 HE ARG 20 HE ARG 20 -5.155 3.883 3.477
117 1HH1 ARG 20 1HH2 ARG 20 -7.749 4.674 5.658
118 2HH1 ARG 20 2HH2 ARG 20 -7.083 3.779 6.977
119 1HH2 ARG 20 1HH1 ARG 20 -4.280 2.714 5.214
120 2HH2 ARG 20 2HH1 ARG 20 -5.118 2.663 6.727
121 H PHE 21 H PHE 21 -10.877 3.788 -1.101
122 HA PHE 21 HA PHE 21 -9.114 4.317 -3.458
123 1HB PHE 21 2HB PHE 21 -11.311 2.260 -3.124
124 2HB PHE 21 1HB PHE 21 -10.729 2.773 -4.708
125 HD1 PHE 21 1HD PHE 21 -8.348 2.384 -5.366
126 HD2 PHE 21 2HD PHE 21 -9.988 0.826 -1.713
127 HE1 PHE 21 1HE PHE 21 -6.425 0.832 -5.161
128 HE2 PHE 21 2HE PHE 21 -8.069 -0.729 -1.511
129 HZ PHE 21 HZ PHE 21 -6.284 -0.718 -3.233
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 -13.021 -7.663 0.283
2 2H GLY 1 2HT GLY 1 -14.558 -6.987 0.534
3 3H GLY 1 3HT GLY 1 -13.196 -6.301 1.280
4 1HA GLY 1 2HA GLY 1 -13.149 -6.489 -1.636
5 2HA GLY 1 1HA GLY 1 -14.243 -5.302 -0.927
6 H CYS 2 H CYS 2 -10.846 -6.302 -1.081
7 HA CYS 2 HA CYS 2 -10.058 -3.472 -0.491
8 1HB CYS 2 2HB CYS 2 -9.036 -6.033 0.791
9 2HB CYS 2 1HB CYS 2 -8.240 -4.469 0.952
10 H ARG 3 H ARG 3 -7.872 -2.986 -1.336
11 HA ARG 3 HA ARG 3 -7.005 -4.887 -3.509
12 1HB ARG 3 2HB ARG 3 -8.126 -2.450 -3.853
13 2HB ARG 3 1HB ARG 3 -6.443 -1.957 -3.678
14 1HG ARG 3 2HG ARG 3 -5.858 -2.829 -5.679
15 2HG ARG 3 1HG ARG 3 -6.819 -4.290 -5.424
16 1HD ARG 3 2HD ARG 3 -8.893 -2.988 -5.975
17 2HD ARG 3 1HD ARG 3 -7.877 -1.575 -6.330
18 HE ARG 3 HE ARG 3 -7.993 -4.072 -7.917
19 1HH1 ARG 3 1HH2 ARG 3 -6.406 -1.042 -7.255
20 2HH1 ARG 3 2HH2 ARG 3 -5.704 -0.922 -8.834
21 1HH2 ARG 3 1HH1 ARG 3 -6.985 -3.950 -9.946
22 2HH2 ARG 3 2HH1 ARG 3 -5.992 -2.576 -10.335
23 H PHE 4 H PHE 4 -4.701 -4.947 -3.904
24 HA PHE 4 HA PHE 4 -3.067 -4.316 -1.490
25 1HB PHE 4 2HB PHE 4 -3.263 -6.554 -2.934
26 2HB PHE 4 1HB PHE 4 -2.064 -5.744 -3.938
27 HD1 PHE 4 1HD PHE 4 -0.044 -6.869 -3.505
28 HD2 PHE 4 2HD PHE 4 -2.528 -5.642 -0.214
29 HE1 PHE 4 1HE PHE 4 1.732 -7.530 -1.910
30 HE2 PHE 4 2HE PHE 4 -0.746 -6.306 1.373
31 HZ PHE 4 HZ PHE 4 1.394 -7.239 0.533
32 H CYS 5 H CYS 5 -1.655 -2.591 -1.504
33 HA CYS 5 HA CYS 5 -1.019 -1.365 -4.176
34 1HB CYS 5 2HB CYS 5 -1.078 0.212 -1.618
35 2HB CYS 5 1HB CYS 5 -1.422 0.746 -3.262
36 H CYS 6 H CYS 6 1.133 -0.539 -4.422
37 HA CYS 6 HA CYS 6 3.066 -1.341 -2.270
38 1HB CYS 6 2HB CYS 6 3.523 -1.280 -5.267
39 2HB CYS 6 1HB CYS 6 4.593 -1.966 -4.046
40 H ASN 7 H ASN 7 1.783 1.251 -2.497
41 HA ASN 7 HA ASN 7 4.159 2.961 -2.506
42 1HB ASN 7 2HB ASN 7 3.401 2.579 -4.944
43 2HB ASN 7 1HB ASN 7 1.981 3.539 -4.530
44 1HD2 ASN 7 1HD2 ASN 7 5.578 3.722 -4.324
45 2HD2 ASN 7 2HD2 ASN 7 5.649 5.395 -4.596
46 H CYS 8 H CYS 8 3.562 3.775 -0.471
47 HA CYS 8 HA CYS 8 1.031 5.375 -0.374
48 1HB CYS 8 2HB CYS 8 0.278 4.299 1.562
49 2HB CYS 8 1HB CYS 8 1.023 2.950 0.709
50 H CYS 9 H CYS 9 4.068 4.533 1.242
51 HA CYS 9 HA CYS 9 4.459 7.366 2.037
52 1HB CYS 9 2HB CYS 9 4.799 5.159 4.041
53 2HB CYS 9 1HB CYS 9 4.277 6.820 4.299
54 HA PRO 10 HA PRO 10 8.630 6.207 1.066
55 1HB PRO 10 2HB PRO 10 10.000 8.135 2.445
56 2HB PRO 10 1HB PRO 10 9.103 8.463 0.950
57 1HG PRO 10 2HG PRO 10 8.330 8.991 3.773
58 2HG PRO 10 1HG PRO 10 8.040 9.963 2.323
59 1HD PRO 10 2HD PRO 10 6.148 8.374 3.501
60 2HD PRO 10 1HD PRO 10 6.143 8.821 1.780
61 H ASN 11 H ASN 11 7.691 4.437 2.949
62 HA ASN 11 HA ASN 11 10.081 3.906 4.571
63 1HB ASN 11 2HB ASN 11 8.711 5.577 5.868
64 2HB ASN 11 1HB ASN 11 7.400 4.398 5.914
65 1HD2 ASN 11 1HD2 ASN 11 7.425 3.728 8.098
66 2HD2 ASN 11 2HD2 ASN 11 8.795 3.109 8.882
67 H MET 12 H MET 12 8.606 2.509 2.432
68 HA MET 12 HA MET 12 8.253 -0.092 3.785
69 1HB MET 12 2HB MET 12 6.062 1.687 2.986
70 2HB MET 12 1HB MET 12 5.927 0.086 2.260
71 1HG MET 12 2HG MET 12 5.799 -0.988 4.344
72 2HG MET 12 1HG MET 12 6.533 0.371 5.197
73 1HE MET 12 1HE MET 12 3.265 -1.423 4.479
74 2HE MET 12 2HE MET 12 3.682 -0.704 2.924
75 3HE MET 12 3HE MET 12 2.231 -0.173 3.772
76 H SER 13 H SER 13 9.775 -1.068 2.416
77 HA SER 13 HA SER 13 9.672 -0.606 -0.504
78 1HB SER 13 2HB SER 13 11.563 -1.493 1.497
79 2HB SER 13 1HB SER 13 11.478 -2.685 0.204
80 HG SER 13 HG SER 13 12.475 -1.326 -1.046
81 H GLY 14 H GLY 14 7.293 -1.645 -0.150
82 1HA GLY 14 2HA GLY 14 7.376 -4.228 -1.422
83 2HA GLY 14 1HA GLY 14 6.902 -4.390 0.268
84 H CYS 15 H CYS 15 4.723 -4.694 0.248
85 HA CYS 15 HA CYS 15 3.024 -2.637 -1.115
86 1HB CYS 15 2HB CYS 15 2.714 -5.654 -1.253
87 2HB CYS 15 1HB CYS 15 1.610 -4.481 -1.971
88 H GLY 16 H GLY 16 0.806 -2.604 -0.232
89 1HA GLY 16 2HA GLY 16 0.451 -3.955 2.401
90 2HA GLY 16 1HA GLY 16 0.271 -2.199 2.314
91 H VAL 17 H VAL 17 -1.898 -3.835 3.083
92 HA VAL 17 HA VAL 17 -3.629 -4.155 0.703
93 HB VAL 17 HB VAL 17 -4.167 -4.569 3.667
94 1HG1 VAL 17 1HG1 VAL 17 -5.828 -6.264 2.612
95 2HG1 VAL 17 2HG1 VAL 17 -5.605 -5.336 1.129
96 3HG1 VAL 17 3HG1 VAL 17 -6.255 -4.552 2.569
97 1HG2 VAL 17 1HG2 VAL 17 -3.157 -6.487 1.545
98 2HG2 VAL 17 2HG2 VAL 17 -3.736 -6.982 3.135
99 3HG2 VAL 17 3HG2 VAL 17 -2.297 -5.973 2.996
100 H CYS 18 H CYS 18 -5.124 -2.640 0.100
101 HA CYS 18 HA CYS 18 -5.805 -0.451 2.045
102 1HB CYS 18 2HB CYS 18 -5.788 0.069 -0.895
103 2HB CYS 18 1HB CYS 18 -5.345 1.135 0.427
104 H CYS 19 H CYS 19 -8.016 -0.334 2.354
105 HA CYS 19 HA CYS 19 -9.803 -1.799 0.451
106 1HB CYS 19 2HB CYS 19 -10.249 -0.740 3.260
107 2HB CYS 19 1HB CYS 19 -11.365 -1.773 2.368
108 H ARG 20 H ARG 20 -9.486 1.357 2.105
109 HA ARG 20 HA ARG 20 -11.571 2.462 0.254
110 1HB ARG 20 2HB ARG 20 -10.528 3.338 2.967
111 2HB ARG 20 1HB ARG 20 -11.709 4.255 2.031
112 1HG ARG 20 2HG ARG 20 -12.275 1.372 2.416
113 2HG ARG 20 1HG ARG 20 -12.406 2.395 3.849
114 1HD ARG 20 2HD ARG 20 -14.243 3.541 3.037
115 2HD ARG 20 1HD ARG 20 -13.696 3.437 1.351
116 HE ARG 20 HE ARG 20 -14.476 0.889 2.656
117 1HH1 ARG 20 1HH2 ARG 20 -15.345 3.560 0.580
118 2HH1 ARG 20 2HH2 ARG 20 -16.560 2.660 -0.254
119 1HH2 ARG 20 1HH1 ARG 20 -16.097 -0.246 1.571
120 2HH2 ARG 20 2HH1 ARG 20 -16.999 0.522 0.307
121 H PHE 21 H PHE 21 -11.034 4.219 -1.054
122 HA PHE 21 HA PHE 21 -8.208 5.230 -0.907
123 1HB PHE 21 2HB PHE 21 -9.975 4.518 -3.272
124 2HB PHE 21 1HB PHE 21 -8.441 5.369 -3.431
125 HD1 PHE 21 1HD PHE 21 -9.955 2.239 -2.066
126 HD2 PHE 21 2HD PHE 21 -6.412 4.179 -3.515
127 HE1 PHE 21 1HE PHE 21 -8.752 0.077 -1.995
128 HE2 PHE 21 2HE PHE 21 -5.200 2.013 -3.451
129 HZ PHE 21 HZ PHE 21 -6.370 -0.038 -2.693
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 -13.993 -3.613 1.100
2 2H GLY 1 2HT GLY 1 -13.310 -4.134 2.563
3 3H GLY 1 3HT GLY 1 -14.486 -5.079 1.787
4 1HA GLY 1 2HA GLY 1 -12.323 -6.047 1.426
5 2HA GLY 1 1HA GLY 1 -12.981 -5.430 -0.091
6 H CYS 2 H CYS 2 -10.149 -5.768 0.497
7 HA CYS 2 HA CYS 2 -9.282 -2.898 0.292
8 1HB CYS 2 2HB CYS 2 -8.027 -5.224 1.786
9 2HB CYS 2 1HB CYS 2 -7.233 -3.666 1.551
10 H ARG 3 H ARG 3 -7.294 -2.616 -0.989
11 HA ARG 3 HA ARG 3 -6.877 -4.841 -2.978
12 1HB ARG 3 2HB ARG 3 -7.680 -2.124 -3.237
13 2HB ARG 3 1HB ARG 3 -6.054 -2.245 -3.906
14 1HG ARG 3 2HG ARG 3 -6.845 -4.245 -5.238
15 2HG ARG 3 1HG ARG 3 -8.479 -3.883 -4.684
16 1HD ARG 3 2HD ARG 3 -8.483 -2.680 -6.672
17 2HD ARG 3 1HD ARG 3 -7.824 -1.433 -5.594
18 HE ARG 3 HE ARG 3 -5.657 -3.054 -6.504
19 1HH1 ARG 3 1HH2 ARG 3 -7.984 -0.752 -7.683
20 2HH1 ARG 3 2HH2 ARG 3 -6.970 -0.194 -8.965
21 1HH2 ARG 3 1HH1 ARG 3 -4.330 -2.316 -8.199
22 2HH2 ARG 3 2HH1 ARG 3 -4.897 -1.072 -9.260
23 H PHE 4 H PHE 4 -4.666 -5.132 -3.729
24 HA PHE 4 HA PHE 4 -2.628 -4.391 -1.715
25 1HB PHE 4 2HB PHE 4 -3.141 -6.674 -3.051
26 2HB PHE 4 1HB PHE 4 -2.028 -5.937 -4.201
27 HD1 PHE 4 1HD PHE 4 -2.250 -6.161 -0.453
28 HD2 PHE 4 2HD PHE 4 0.167 -6.669 -3.970
29 HE1 PHE 4 1HE PHE 4 -0.333 -6.844 0.962
30 HE2 PHE 4 2HE PHE 4 2.079 -7.354 -2.555
31 HZ PHE 4 HZ PHE 4 1.835 -7.437 -0.087
32 H CYS 5 H CYS 5 -1.108 -2.794 -2.079
33 HA CYS 5 HA CYS 5 -0.696 -1.833 -4.880
34 1HB CYS 5 2HB CYS 5 -0.864 0.329 -2.890
35 2HB CYS 5 1HB CYS 5 -1.603 0.214 -4.480
36 H CYS 6 H CYS 6 1.361 -0.785 -5.188
37 HA CYS 6 HA CYS 6 3.305 -1.228 -2.942
38 1HB CYS 6 2HB CYS 6 3.926 -0.914 -5.887
39 2HB CYS 6 1HB CYS 6 4.909 -1.686 -4.644
40 H ASN 7 H ASN 7 1.743 1.124 -2.918
41 HA ASN 7 HA ASN 7 3.757 3.190 -2.821
42 1HB ASN 7 2HB ASN 7 3.395 2.848 -5.316
43 2HB ASN 7 1HB ASN 7 1.735 3.395 -5.081
44 1HD2 ASN 7 1HD2 ASN 7 1.539 5.661 -4.013
45 2HD2 ASN 7 2HD2 ASN 7 2.728 6.806 -4.411
46 H CYS 8 H CYS 8 2.685 3.467 -0.736
47 HA CYS 8 HA CYS 8 0.108 4.985 -0.940
48 1HB CYS 8 2HB CYS 8 -0.951 3.626 0.623
49 2HB CYS 8 1HB CYS 8 0.060 2.430 -0.178
50 H CYS 9 H CYS 9 2.792 4.033 1.191
51 HA CYS 9 HA CYS 9 2.829 6.779 2.327
52 1HB CYS 9 2HB CYS 9 2.845 4.388 4.135
53 2HB CYS 9 1HB CYS 9 2.179 5.993 4.422
54 HA PRO 10 HA PRO 10 7.178 5.949 2.211
55 1HB PRO 10 2HB PRO 10 8.046 7.782 4.053
56 2HB PRO 10 1HB PRO 10 7.511 8.220 2.418
57 1HG PRO 10 2HG PRO 10 6.038 8.398 5.002
58 2HG PRO 10 1HG PRO 10 6.053 9.519 3.632
59 1HD PRO 10 2HD PRO 10 4.030 7.760 4.108
60 2HD PRO 10 1HD PRO 10 4.457 8.346 2.484
61 H ASN 11 H ASN 11 6.191 3.861 3.500
62 HA ASN 11 HA ASN 11 8.026 3.421 5.763
63 1HB ASN 11 2HB ASN 11 5.345 4.334 6.156
64 2HB ASN 11 1HB ASN 11 5.413 2.651 6.681
65 1HD2 ASN 11 1HD2 ASN 11 5.962 5.800 7.757
66 2HD2 ASN 11 2HD2 ASN 11 7.003 5.452 9.049
67 H MET 12 H MET 12 7.562 2.232 3.091
68 HA MET 12 HA MET 12 7.296 -0.596 3.934
69 1HB MET 12 2HB MET 12 5.259 0.987 2.527
70 2HB MET 12 1HB MET 12 5.694 -0.488 1.664
71 1HG MET 12 2HG MET 12 5.245 -1.833 3.654
72 2HG MET 12 1HG MET 12 4.896 -0.378 4.591
73 1HE MET 12 1HE MET 12 3.030 0.804 4.745
74 2HE MET 12 2HE MET 12 1.539 0.738 3.808
75 3HE MET 12 3HE MET 12 2.965 1.511 3.124
76 H SER 13 H SER 13 8.521 -1.944 2.590
77 HA SER 13 HA SER 13 9.957 -0.616 0.318
78 1HB SER 13 2HB SER 13 11.414 -2.831 0.945
79 2HB SER 13 1HB SER 13 11.652 -1.268 1.721
80 HG SER 13 HG SER 13 11.327 -2.588 3.406
81 H GLY 14 H GLY 14 7.341 -1.719 -0.160
82 1HA GLY 14 2HA GLY 14 7.842 -3.392 -2.407
83 2HA GLY 14 1HA GLY 14 7.369 -4.427 -1.059
84 H CYS 15 H CYS 15 5.235 -4.885 -1.111
85 HA CYS 15 HA CYS 15 3.327 -2.739 -1.990
86 1HB CYS 15 2HB CYS 15 3.196 -5.736 -2.456
87 2HB CYS 15 1HB CYS 15 2.049 -4.543 -3.066
88 H GLY 16 H GLY 16 1.451 -2.550 -0.719
89 1HA GLY 16 2HA GLY 16 1.159 -4.485 1.542
90 2HA GLY 16 1HA GLY 16 1.083 -2.748 1.838
91 H VAL 17 H VAL 17 -1.104 -4.007 2.644
92 HA VAL 17 HA VAL 17 -3.111 -4.156 0.477
93 HB VAL 17 HB VAL 17 -3.293 -4.512 3.496
94 1HG1 VAL 17 1HG1 VAL 17 -5.480 -4.073 2.577
95 2HG1 VAL 17 2HG1 VAL 17 -5.366 -5.806 2.877
96 3HG1 VAL 17 3HG1 VAL 17 -5.197 -5.184 1.236
97 1HG2 VAL 17 1HG2 VAL 17 -3.074 -6.588 1.290
98 2HG2 VAL 17 2HG2 VAL 17 -3.189 -6.913 3.020
99 3HG2 VAL 17 3HG2 VAL 17 -1.755 -6.123 2.363
100 H CYS 18 H CYS 18 -4.352 -2.395 -0.069
101 HA CYS 18 HA CYS 18 -4.446 -0.090 1.855
102 1HB CYS 18 2HB CYS 18 -5.137 0.094 -1.065
103 2HB CYS 18 1HB CYS 18 -4.428 1.320 -0.010
104 H CYS 19 H CYS 19 -6.467 0.586 2.548
105 HA CYS 19 HA CYS 19 -8.855 -0.801 1.365
106 1HB CYS 19 2HB CYS 19 -8.380 0.248 4.179
107 2HB CYS 19 1HB CYS 19 -9.794 -0.655 3.636
108 H ARG 20 H ARG 20 -7.351 2.106 1.211
109 HA ARG 20 HA ARG 20 -9.871 3.709 1.422
110 1HB ARG 20 2HB ARG 20 -8.302 4.737 2.819
111 2HB ARG 20 1HB ARG 20 -6.939 4.194 1.844
112 1HG ARG 20 2HG ARG 20 -7.106 6.570 1.542
113 2HG ARG 20 1HG ARG 20 -7.683 5.832 0.048
114 1HD ARG 20 2HD ARG 20 -9.974 6.022 1.683
115 2HD ARG 20 1HD ARG 20 -9.130 7.566 1.895
116 HE ARG 20 HE ARG 20 -10.257 6.528 -0.626
117 1HH1 ARG 20 1HH2 ARG 20 -8.038 8.744 0.900
118 2HH1 ARG 20 2HH2 ARG 20 -8.104 9.865 -0.405
119 1HH2 ARG 20 1HH1 ARG 20 -10.233 7.940 -2.333
120 2HH2 ARG 20 2HH1 ARG 20 -9.292 9.396 -2.254
121 H PHE 21 H PHE 21 -10.806 4.020 -0.571
122 HA PHE 21 HA PHE 21 -9.057 4.691 -2.882
123 1HB PHE 21 2HB PHE 21 -11.005 2.394 -2.619
124 2HB PHE 21 1HB PHE 21 -10.599 3.064 -4.197
125 HD1 PHE 21 1HD PHE 21 -8.073 3.287 -4.779
126 HD2 PHE 21 2HD PHE 21 -9.593 0.808 -1.619
127 HE1 PHE 21 1HE PHE 21 -5.966 1.974 -4.792
128 HE2 PHE 21 2HE PHE 21 -7.489 -0.500 -1.636
129 HZ PHE 21 HZ PHE 21 -5.677 0.076 -3.226
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 -15.173 -3.304 -0.087
2 2H GLY 1 2HT GLY 1 -14.152 -2.575 -1.230
3 3H GLY 1 3HT GLY 1 -13.961 -2.243 0.427
4 1HA GLY 1 2HA GLY 1 -13.538 -4.724 0.697
5 2HA GLY 1 1HA GLY 1 -13.307 -4.720 -1.049
6 H CYS 2 H CYS 2 -11.044 -5.357 -0.502
7 HA CYS 2 HA CYS 2 -9.373 -2.944 0.146
8 1HB CYS 2 2HB CYS 2 -9.128 -5.833 1.039
9 2HB CYS 2 1HB CYS 2 -7.831 -4.653 1.243
10 H ARG 3 H ARG 3 -7.258 -2.929 -0.926
11 HA ARG 3 HA ARG 3 -7.001 -4.864 -3.198
12 1HB ARG 3 2HB ARG 3 -6.869 -1.840 -3.164
13 2HB ARG 3 1HB ARG 3 -6.218 -2.799 -4.492
14 1HG ARG 3 2HG ARG 3 -8.626 -3.941 -4.391
15 2HG ARG 3 1HG ARG 3 -9.073 -2.388 -3.682
16 1HD ARG 3 2HD ARG 3 -7.446 -2.504 -6.238
17 2HD ARG 3 1HD ARG 3 -9.218 -2.606 -6.267
18 HE ARG 3 HE ARG 3 -8.142 -0.405 -4.621
19 1HH1 ARG 3 1HH2 ARG 3 -9.359 -1.410 -7.713
20 2HH1 ARG 3 2HH2 ARG 3 -9.792 0.184 -8.211
21 1HH2 ARG 3 1HH1 ARG 3 -8.791 1.691 -5.242
22 2HH2 ARG 3 2HH1 ARG 3 -9.472 1.933 -6.812
23 H PHE 4 H PHE 4 -4.760 -5.148 -3.889
24 HA PHE 4 HA PHE 4 -2.779 -4.732 -1.722
25 1HB PHE 4 2HB PHE 4 -3.304 -6.849 -3.221
26 2HB PHE 4 1HB PHE 4 -2.258 -6.037 -4.387
27 HD1 PHE 4 1HD PHE 4 -0.118 -6.929 -4.363
28 HD2 PHE 4 2HD PHE 4 -2.166 -6.395 -0.615
29 HE1 PHE 4 1HE PHE 4 1.901 -7.698 -3.145
30 HE2 PHE 4 2HE PHE 4 -0.138 -7.168 0.597
31 HZ PHE 4 HZ PHE 4 1.888 -7.829 -0.670
32 H CYS 5 H CYS 5 -1.314 -3.047 -1.807
33 HA CYS 5 HA CYS 5 -0.784 -1.815 -4.497
34 1HB CYS 5 2HB CYS 5 -0.819 0.400 -3.162
35 2HB CYS 5 1HB CYS 5 -2.374 -0.366 -3.481
36 H CYS 6 H CYS 6 1.322 -0.860 -4.697
37 HA CYS 6 HA CYS 6 3.249 -1.671 -2.546
38 1HB CYS 6 2HB CYS 6 3.707 -1.302 -5.523
39 2HB CYS 6 1HB CYS 6 4.851 -1.976 -4.360
40 H ASN 7 H ASN 7 1.854 0.850 -2.471
41 HA ASN 7 HA ASN 7 4.074 2.663 -2.123
42 1HB ASN 7 2HB ASN 7 3.684 2.411 -4.700
43 2HB ASN 7 1HB ASN 7 2.260 3.414 -4.420
44 1HD2 ASN 7 1HD2 ASN 7 2.595 5.668 -4.040
45 2HD2 ASN 7 2HD2 ASN 7 4.133 6.384 -4.007
46 H CYS 8 H CYS 8 2.386 2.305 -0.185
47 HA CYS 8 HA CYS 8 -0.037 4.011 -0.411
48 1HB CYS 8 2HB CYS 8 -0.705 2.941 1.555
49 2HB CYS 8 1HB CYS 8 0.354 1.710 0.873
50 H CYS 9 H CYS 9 3.008 3.884 1.390
51 HA CYS 9 HA CYS 9 2.782 6.788 1.975
52 1HB CYS 9 2HB CYS 9 3.384 4.835 4.173
53 2HB CYS 9 1HB CYS 9 2.565 6.389 4.266
54 HA PRO 10 HA PRO 10 7.182 6.521 1.544
55 1HB PRO 10 2HB PRO 10 8.049 8.493 3.233
56 2HB PRO 10 1HB PRO 10 7.239 8.827 1.690
57 1HG PRO 10 2HG PRO 10 6.163 8.929 4.454
58 2HG PRO 10 1HG PRO 10 5.785 9.944 3.056
59 1HD PRO 10 2HD PRO 10 4.197 7.888 3.983
60 2HD PRO 10 1HD PRO 10 4.151 8.540 2.331
61 H ASN 11 H ASN 11 6.371 4.442 3.228
62 HA ASN 11 HA ASN 11 8.671 4.253 5.084
63 1HB ASN 11 2HB ASN 11 7.228 3.806 7.014
64 2HB ASN 11 1HB ASN 11 6.820 5.375 6.326
65 1HD2 ASN 11 1HD2 ASN 11 4.905 3.957 7.892
66 2HD2 ASN 11 2HD2 ASN 11 3.642 3.449 6.880
67 H MET 12 H MET 12 7.548 2.805 2.610
68 HA MET 12 HA MET 12 7.988 0.076 3.626
69 1HB MET 12 2HB MET 12 5.745 -0.649 2.616
70 2HB MET 12 1HB MET 12 5.651 0.275 4.113
71 1HG MET 12 2HG MET 12 4.722 2.103 3.086
72 2HG MET 12 1HG MET 12 5.625 1.857 1.591
73 1HE MET 12 1HE MET 12 5.116 0.525 -0.235
74 2HE MET 12 2HE MET 12 3.724 -0.523 -0.510
75 3HE MET 12 3HE MET 12 5.019 -1.050 0.560
76 H SER 13 H SER 13 9.537 -0.496 2.135
77 HA SER 13 HA SER 13 9.184 0.300 -0.708
78 1HB SER 13 2HB SER 13 11.450 -1.082 0.778
79 2HB SER 13 1HB SER 13 11.525 -0.489 -0.882
80 HG SER 13 HG SER 13 12.339 0.942 0.875
81 H GLY 14 H GLY 14 7.207 -1.310 -0.495
82 1HA GLY 14 2HA GLY 14 7.886 -3.692 -1.976
83 2HA GLY 14 1HA GLY 14 7.465 -4.092 -0.309
84 H CYS 15 H CYS 15 5.398 -4.871 -0.377
85 HA CYS 15 HA CYS 15 3.301 -3.124 -1.613
86 1HB CYS 15 2HB CYS 15 3.625 -6.126 -1.938
87 2HB CYS 15 1HB CYS 15 2.270 -5.182 -2.557
88 H GLY 16 H GLY 16 1.226 -3.326 -0.589
89 1HA GLY 16 2HA GLY 16 0.956 -5.156 1.711
90 2HA GLY 16 1HA GLY 16 0.975 -3.438 2.102
91 H VAL 17 H VAL 17 -1.291 -4.837 2.718
92 HA VAL 17 HA VAL 17 -3.254 -4.573 0.525
93 HB VAL 17 HB VAL 17 -3.437 -5.401 3.448
94 1HG1 VAL 17 1HG1 VAL 17 -5.664 -6.336 2.762
95 2HG1 VAL 17 2HG1 VAL 17 -5.494 -5.492 1.221
96 3HG1 VAL 17 3HG1 VAL 17 -5.604 -4.577 2.726
97 1HG2 VAL 17 1HG2 VAL 17 -2.126 -6.863 1.814
98 2HG2 VAL 17 2HG2 VAL 17 -3.646 -7.112 0.953
99 3HG2 VAL 17 3HG2 VAL 17 -3.472 -7.655 2.623
100 H CYS 18 H CYS 18 -4.510 -2.784 0.238
101 HA CYS 18 HA CYS 18 -4.741 -0.835 2.509
102 1HB CYS 18 2HB CYS 18 -4.828 0.836 0.436
103 2HB CYS 18 1HB CYS 18 -3.284 0.297 1.084
104 H CYS 19 H CYS 19 -6.826 -0.107 2.877
105 HA CYS 19 HA CYS 19 -8.941 -1.045 0.957
106 1HB CYS 19 2HB CYS 19 -9.164 -0.540 3.944
107 2HB CYS 19 1HB CYS 19 -10.340 -1.358 2.911
108 H ARG 20 H ARG 20 -7.398 1.727 1.497
109 HA ARG 20 HA ARG 20 -9.884 3.393 1.680
110 1HB ARG 20 2HB ARG 20 -8.328 5.203 2.389
111 2HB ARG 20 1HB ARG 20 -8.234 3.788 3.444
112 1HG ARG 20 2HG ARG 20 -6.346 3.237 1.454
113 2HG ARG 20 1HG ARG 20 -6.166 4.971 1.749
114 1HD ARG 20 2HD ARG 20 -6.343 4.005 4.344
115 2HD ARG 20 1HD ARG 20 -5.479 2.694 3.508
116 HE ARG 20 HE ARG 20 -4.251 5.010 2.579
117 1HH1 ARG 20 1HH2 ARG 20 -4.919 3.584 5.694
118 2HH1 ARG 20 2HH2 ARG 20 -3.501 4.249 6.423
119 1HH2 ARG 20 1HH1 ARG 20 -2.445 5.924 3.623
120 2HH2 ARG 20 2HH1 ARG 20 -2.158 5.570 5.292
121 H PHE 21 H PHE 21 -10.560 4.133 -0.269
122 HA PHE 21 HA PHE 21 -8.561 5.109 -2.254
123 1HB PHE 21 2HB PHE 21 -10.684 2.995 -2.705
124 2HB PHE 21 1HB PHE 21 -9.808 3.790 -4.009
125 HD1 PHE 21 1HD PHE 21 -9.776 1.064 -1.704
126 HD2 PHE 21 2HD PHE 21 -7.217 3.742 -3.876
127 HE1 PHE 21 1HE PHE 21 -7.892 -0.508 -1.427
128 HE2 PHE 21 2HE PHE 21 -5.328 2.167 -3.604
129 HZ PHE 21 HZ PHE 21 -5.662 0.026 -2.382
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 -14.423 -2.626 0.104
2 2H GLY 1 2HT GLY 1 -15.588 -3.666 -0.566
3 3H GLY 1 3HT GLY 1 -14.556 -2.784 -1.577
4 1HA GLY 1 2HA GLY 1 -13.930 -5.117 0.118
5 2HA GLY 1 1HA GLY 1 -13.632 -4.901 -1.609
6 H CYS 2 H CYS 2 -11.372 -5.538 -0.950
7 HA CYS 2 HA CYS 2 -9.821 -3.106 -0.145
8 1HB CYS 2 2HB CYS 2 -9.722 -5.935 0.908
9 2HB CYS 2 1HB CYS 2 -8.313 -4.880 1.040
10 H ARG 3 H ARG 3 -7.571 -3.158 -1.003
11 HA ARG 3 HA ARG 3 -7.126 -5.157 -3.191
12 1HB ARG 3 2HB ARG 3 -8.074 -2.580 -3.580
13 2HB ARG 3 1HB ARG 3 -6.341 -2.393 -3.849
14 1HG ARG 3 2HG ARG 3 -6.669 -4.608 -5.259
15 2HG ARG 3 1HG ARG 3 -8.338 -4.047 -5.350
16 1HD ARG 3 2HD ARG 3 -6.086 -2.132 -5.944
17 2HD ARG 3 1HD ARG 3 -6.659 -3.244 -7.201
18 HE ARG 3 HE ARG 3 -8.232 -1.048 -5.974
19 1HH1 ARG 3 1HH2 ARG 3 -8.176 -3.947 -7.941
20 2HH1 ARG 3 2HH2 ARG 3 -9.596 -3.501 -8.826
21 1HH2 ARG 3 1HH1 ARG 3 -10.096 -0.526 -7.123
22 2HH2 ARG 3 2HH1 ARG 3 -10.670 -1.587 -8.365
23 H PHE 4 H PHE 4 -4.849 -5.367 -3.770
24 HA PHE 4 HA PHE 4 -3.007 -4.791 -1.541
25 1HB PHE 4 2HB PHE 4 -3.337 -6.858 -3.281
26 2HB PHE 4 1HB PHE 4 -2.102 -5.942 -4.143
27 HD1 PHE 4 1HD PHE 4 0.034 -6.781 -3.774
28 HD2 PHE 4 2HD PHE 4 -2.764 -6.699 -0.511
29 HE1 PHE 4 1HE PHE 4 1.771 -7.691 -2.256
30 HE2 PHE 4 2HE PHE 4 -1.028 -7.603 1.002
31 HZ PHE 4 HZ PHE 4 1.244 -8.097 0.136
32 H CYS 5 H CYS 5 -1.356 -3.245 -1.611
33 HA CYS 5 HA CYS 5 -0.996 -1.720 -4.180
34 1HB CYS 5 2HB CYS 5 -0.919 0.338 -2.670
35 2HB CYS 5 1HB CYS 5 -2.501 -0.430 -2.807
36 H CYS 6 H CYS 6 1.131 -0.819 -4.444
37 HA CYS 6 HA CYS 6 3.154 -1.729 -2.419
38 1HB CYS 6 2HB CYS 6 3.392 -1.588 -5.442
39 2HB CYS 6 1HB CYS 6 4.622 -2.190 -4.332
40 H ASN 7 H ASN 7 1.949 0.815 -2.304
41 HA ASN 7 HA ASN 7 4.199 2.573 -2.217
42 1HB ASN 7 2HB ASN 7 3.295 2.127 -4.814
43 2HB ASN 7 1HB ASN 7 2.510 3.642 -4.374
44 1HD2 ASN 7 1HD2 ASN 7 4.301 4.110 -6.275
45 2HD2 ASN 7 2HD2 ASN 7 5.777 4.699 -5.680
46 H CYS 8 H CYS 8 3.293 3.341 -0.282
47 HA CYS 8 HA CYS 8 0.708 4.859 -0.532
48 1HB CYS 8 2HB CYS 8 -0.120 3.848 1.403
49 2HB CYS 8 1HB CYS 8 0.797 2.511 0.712
50 H CYS 9 H CYS 9 3.679 4.375 1.341
51 HA CYS 9 HA CYS 9 3.755 7.274 1.981
52 1HB CYS 9 2HB CYS 9 4.086 5.227 4.154
53 2HB CYS 9 1HB CYS 9 3.426 6.857 4.257
54 HA PRO 10 HA PRO 10 8.114 6.582 1.592
55 1HB PRO 10 2HB PRO 10 9.132 8.367 3.410
56 2HB PRO 10 1HB PRO 10 8.437 8.855 1.851
57 1HG PRO 10 2HG PRO 10 7.214 8.902 4.567
58 2HG PRO 10 1HG PRO 10 7.093 10.085 3.255
59 1HD PRO 10 2HD PRO 10 5.128 8.298 3.820
60 2HD PRO 10 1HD PRO 10 5.424 8.927 2.183
61 H ASN 11 H ASN 11 7.295 4.444 2.861
62 HA ASN 11 HA ASN 11 9.319 3.917 4.929
63 1HB ASN 11 2HB ASN 11 7.563 4.973 6.247
64 2HB ASN 11 1HB ASN 11 6.337 3.941 5.511
65 1HD2 ASN 11 1HD2 ASN 11 9.050 3.960 7.810
66 2HD2 ASN 11 2HD2 ASN 11 8.682 2.458 8.505
67 H MET 12 H MET 12 6.249 2.661 3.543
68 HA MET 12 HA MET 12 7.237 -0.109 3.659
69 1HB MET 12 2HB MET 12 4.701 1.322 2.865
70 2HB MET 12 1HB MET 12 4.918 -0.379 2.460
71 1HG MET 12 2HG MET 12 5.514 -0.730 4.936
72 2HG MET 12 1HG MET 12 4.863 0.887 5.205
73 1HE MET 12 1HE MET 12 3.455 -1.940 6.574
74 2HE MET 12 2HE MET 12 4.478 -2.526 5.263
75 3HE MET 12 3HE MET 12 2.760 -2.918 5.274
76 H SER 13 H SER 13 9.092 0.266 2.128
77 HA SER 13 HA SER 13 8.476 0.940 -0.665
78 1HB SER 13 2HB SER 13 10.788 0.532 1.067
79 2HB SER 13 1HB SER 13 11.011 -0.261 -0.490
80 HG SER 13 HG SER 13 11.472 2.182 -0.105
81 H GLY 14 H GLY 14 6.777 -1.095 -0.079
82 1HA GLY 14 2HA GLY 14 7.740 -3.262 -1.823
83 2HA GLY 14 1HA GLY 14 7.364 -3.752 -0.169
84 H CYS 15 H CYS 15 5.369 -4.715 -0.185
85 HA CYS 15 HA CYS 15 3.140 -3.264 -1.571
86 1HB CYS 15 2HB CYS 15 3.864 -6.211 -1.615
87 2HB CYS 15 1HB CYS 15 2.323 -5.584 -2.200
88 H GLY 16 H GLY 16 1.111 -3.432 -0.494
89 1HA GLY 16 2HA GLY 16 0.914 -5.097 1.937
90 2HA GLY 16 1HA GLY 16 0.843 -3.353 2.191
91 H VAL 17 H VAL 17 -1.373 -4.605 2.969
92 HA VAL 17 HA VAL 17 -3.338 -4.846 0.789
93 HB VAL 17 HB VAL 17 -3.645 -4.910 3.814
94 1HG1 VAL 17 1HG1 VAL 17 -5.821 -5.463 3.491
95 2HG1 VAL 17 2HG1 VAL 17 -5.444 -6.506 2.121
96 3HG1 VAL 17 3HG1 VAL 17 -5.614 -4.768 1.883
97 1HG2 VAL 17 1HG2 VAL 17 -3.062 -7.139 3.804
98 2HG2 VAL 17 2HG2 VAL 17 -2.095 -6.632 2.421
99 3HG2 VAL 17 3HG2 VAL 17 -3.664 -7.395 2.166
100 H CYS 18 H CYS 18 -4.606 -3.153 0.094
101 HA CYS 18 HA CYS 18 -4.684 -0.671 1.785
102 1HB CYS 18 2HB CYS 18 -4.327 -1.265 -1.113
103 2HB CYS 18 1HB CYS 18 -5.296 0.157 -0.723
104 H CYS 19 H CYS 19 -6.710 -0.326 2.652
105 HA CYS 19 HA CYS 19 -9.074 -1.437 1.173
106 1HB CYS 19 2HB CYS 19 -8.520 -0.904 4.102
107 2HB CYS 19 1HB CYS 19 -10.120 -1.326 3.494
108 H ARG 20 H ARG 20 -7.491 1.463 1.687
109 HA ARG 20 HA ARG 20 -10.028 3.050 1.744
110 1HB ARG 20 2HB ARG 20 -8.771 3.908 3.488
111 2HB ARG 20 1HB ARG 20 -7.251 3.364 2.785
112 1HG ARG 20 2HG ARG 20 -6.863 5.422 1.967
113 2HG ARG 20 1HG ARG 20 -8.374 5.365 1.064
114 1HD ARG 20 2HD ARG 20 -8.774 7.205 2.439
115 2HD ARG 20 1HD ARG 20 -9.437 5.908 3.444
116 HE ARG 20 HE ARG 20 -7.556 6.107 4.887
117 1HH1 ARG 20 1HH2 ARG 20 -7.079 7.888 1.910
118 2HH1 ARG 20 2HH2 ARG 20 -5.759 8.800 2.532
119 1HH2 ARG 20 1HH1 ARG 20 -5.808 7.304 5.668
120 2HH2 ARG 20 2HH1 ARG 20 -5.038 8.472 4.654
121 H PHE 21 H PHE 21 -10.530 4.211 -0.122
122 HA PHE 21 HA PHE 21 -8.396 4.767 -2.117
123 1HB PHE 21 2HB PHE 21 -10.870 3.060 -2.495
124 2HB PHE 21 1HB PHE 21 -10.050 3.802 -3.865
125 HD1 PHE 21 1HD PHE 21 -10.086 1.006 -1.623
126 HD2 PHE 21 2HD PHE 21 -7.488 3.378 -4.080
127 HE1 PHE 21 1HE PHE 21 -8.398 -0.812 -1.597
128 HE2 PHE 21 2HE PHE 21 -5.804 1.566 -4.057
129 HZ PHE 21 HZ PHE 21 -6.252 -0.535 -2.819
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 -13.066 -2.110 -1.737
2 2H GLY 1 2HT GLY 1 -14.518 -2.974 -1.736
3 3H GLY 1 3HT GLY 1 -13.269 -3.407 -2.810
4 1HA GLY 1 2HA GLY 1 -13.566 -3.975 0.047
5 2HA GLY 1 1HA GLY 1 -12.906 -4.984 -1.240
6 H CYS 2 H CYS 2 -10.835 -5.423 -0.428
7 HA CYS 2 HA CYS 2 -9.124 -3.038 0.187
8 1HB CYS 2 2HB CYS 2 -9.208 -5.861 1.255
9 2HB CYS 2 1HB CYS 2 -7.797 -4.832 1.498
10 H ARG 3 H ARG 3 -7.325 -2.783 -1.115
11 HA ARG 3 HA ARG 3 -6.684 -5.030 -3.002
12 1HB ARG 3 2HB ARG 3 -7.718 -2.642 -3.644
13 2HB ARG 3 1HB ARG 3 -6.021 -2.173 -3.579
14 1HG ARG 3 2HG ARG 3 -5.419 -3.599 -5.333
15 2HG ARG 3 1HG ARG 3 -6.820 -4.643 -5.092
16 1HD ARG 3 2HD ARG 3 -7.789 -3.495 -6.813
17 2HD ARG 3 1HD ARG 3 -7.955 -2.147 -5.670
18 HE ARG 3 HE ARG 3 -5.293 -2.072 -6.633
19 1HH1 ARG 3 1HH2 ARG 3 -8.526 -1.794 -7.836
20 2HH1 ARG 3 2HH2 ARG 3 -8.095 -0.716 -9.114
21 1HH2 ARG 3 1HH1 ARG 3 -4.716 -0.694 -8.320
22 2HH2 ARG 3 2HH1 ARG 3 -5.930 -0.094 -9.396
23 H PHE 4 H PHE 4 -4.429 -5.298 -3.544
24 HA PHE 4 HA PHE 4 -2.571 -4.478 -1.377
25 1HB PHE 4 2HB PHE 4 -3.011 -6.825 -2.654
26 2HB PHE 4 1HB PHE 4 -1.774 -6.161 -3.719
27 HD1 PHE 4 1HD PHE 4 0.254 -7.226 -3.246
28 HD2 PHE 4 2HD PHE 4 -2.253 -5.950 -0.000
29 HE1 PHE 4 1HE PHE 4 2.008 -7.905 -1.625
30 HE2 PHE 4 2HE PHE 4 -0.500 -6.624 1.616
31 HZ PHE 4 HZ PHE 4 1.626 -7.604 0.804
32 H CYS 5 H CYS 5 -1.148 -2.778 -1.719
33 HA CYS 5 HA CYS 5 -0.587 -1.986 -4.565
34 1HB CYS 5 2HB CYS 5 -0.730 0.128 -2.479
35 2HB CYS 5 1HB CYS 5 -1.291 0.165 -4.148
36 H CYS 6 H CYS 6 1.514 -1.072 -4.920
37 HA CYS 6 HA CYS 6 3.482 -1.577 -2.716
38 1HB CYS 6 2HB CYS 6 3.466 -1.709 -5.701
39 2HB CYS 6 1HB CYS 6 4.983 -1.257 -4.926
40 H ASN 7 H ASN 7 1.841 0.891 -2.836
41 HA ASN 7 HA ASN 7 3.941 2.867 -2.514
42 1HB ASN 7 2HB ASN 7 3.621 2.447 -5.072
43 2HB ASN 7 1HB ASN 7 2.118 3.343 -4.877
44 1HD2 ASN 7 1HD2 ASN 7 2.346 5.613 -3.939
45 2HD2 ASN 7 2HD2 ASN 7 3.786 6.463 -4.230
46 H CYS 8 H CYS 8 2.160 2.401 -0.627
47 HA CYS 8 HA CYS 8 -0.261 4.110 -0.974
48 1HB CYS 8 2HB CYS 8 -1.073 2.972 0.921
49 2HB CYS 8 1HB CYS 8 -0.038 1.745 0.195
50 H CYS 9 H CYS 9 2.654 3.861 0.996
51 HA CYS 9 HA CYS 9 2.386 6.709 1.792
52 1HB CYS 9 2HB CYS 9 2.921 4.575 3.843
53 2HB CYS 9 1HB CYS 9 2.089 6.115 4.030
54 HA PRO 10 HA PRO 10 6.789 6.479 1.361
55 1HB PRO 10 2HB PRO 10 7.589 8.466 3.072
56 2HB PRO 10 1HB PRO 10 6.826 8.785 1.501
57 1HG PRO 10 2HG PRO 10 5.638 8.853 4.229
58 2HG PRO 10 1HG PRO 10 5.339 9.909 2.840
59 1HD PRO 10 2HD PRO 10 3.663 7.892 3.603
60 2HD PRO 10 1HD PRO 10 3.787 8.502 1.938
61 H ASN 11 H ASN 11 6.041 4.357 2.924
62 HA ASN 11 HA ASN 11 8.264 4.156 4.837
63 1HB ASN 11 2HB ASN 11 5.861 5.191 5.736
64 2HB ASN 11 1HB ASN 11 5.696 3.478 6.123
65 1HD2 ASN 11 1HD2 ASN 11 6.860 6.359 7.373
66 2HD2 ASN 11 2HD2 ASN 11 7.993 5.729 8.468
67 H MET 12 H MET 12 7.578 2.692 2.420
68 HA MET 12 HA MET 12 7.307 -0.033 3.602
69 1HB MET 12 2HB MET 12 5.072 1.077 2.785
70 2HB MET 12 1HB MET 12 5.697 0.739 1.170
71 1HG MET 12 2HG MET 12 5.548 -1.549 1.436
72 2HG MET 12 1HG MET 12 5.784 -1.467 3.184
73 1HE MET 12 1HE MET 12 3.447 -3.459 2.850
74 2HE MET 12 2HE MET 12 2.559 -2.647 4.138
75 3HE MET 12 3HE MET 12 4.322 -2.679 4.170
76 H SER 13 H SER 13 8.483 -1.571 2.441
77 HA SER 13 HA SER 13 9.971 -0.581 0.025
78 1HB SER 13 2HB SER 13 10.634 -2.317 2.388
79 2HB SER 13 1HB SER 13 11.474 -2.618 0.870
80 HG SER 13 HG SER 13 11.242 0.002 1.920
81 H GLY 14 H GLY 14 7.297 -1.758 -0.117
82 1HA GLY 14 2HA GLY 14 7.659 -3.678 -2.192
83 2HA GLY 14 1HA GLY 14 7.283 -4.535 -0.696
84 H CYS 15 H CYS 15 5.155 -5.067 -0.748
85 HA CYS 15 HA CYS 15 3.217 -2.963 -1.649
86 1HB CYS 15 2HB CYS 15 3.621 -5.777 -2.319
87 2HB CYS 15 1HB CYS 15 1.963 -5.435 -1.826
88 H GLY 16 H GLY 16 1.275 -2.771 -0.432
89 1HA GLY 16 2HA GLY 16 1.137 -4.305 2.127
90 2HA GLY 16 1HA GLY 16 1.004 -2.544 2.149
91 H VAL 17 H VAL 17 -1.103 -4.149 3.100
92 HA VAL 17 HA VAL 17 -3.117 -4.460 0.986
93 HB VAL 17 HB VAL 17 -3.334 -4.525 4.015
94 1HG1 VAL 17 1HG1 VAL 17 -5.151 -5.539 1.803
95 2HG1 VAL 17 2HG1 VAL 17 -5.512 -4.288 2.990
96 3HG1 VAL 17 3HG1 VAL 17 -5.328 -5.956 3.513
97 1HG2 VAL 17 1HG2 VAL 17 -3.314 -7.066 3.529
98 2HG2 VAL 17 2HG2 VAL 17 -1.766 -6.227 3.406
99 3HG2 VAL 17 3HG2 VAL 17 -2.677 -6.641 1.952
100 H CYS 18 H CYS 18 -4.400 -2.815 0.255
101 HA CYS 18 HA CYS 18 -4.607 -0.340 1.944
102 1HB CYS 18 2HB CYS 18 -5.207 -0.461 -1.000
103 2HB CYS 18 1HB CYS 18 -4.602 0.889 -0.048
104 H CYS 19 H CYS 19 -6.591 -0.021 2.824
105 HA CYS 19 HA CYS 19 -8.970 -1.228 1.435
106 1HB CYS 19 2HB CYS 19 -8.396 -0.658 4.366
107 2HB CYS 19 1HB CYS 19 -9.945 -1.243 3.755
108 H ARG 20 H ARG 20 -7.452 1.694 2.186
109 HA ARG 20 HA ARG 20 -10.009 3.227 2.177
110 1HB ARG 20 2HB ARG 20 -7.222 4.125 2.948
111 2HB ARG 20 1HB ARG 20 -8.740 4.944 3.315
112 1HG ARG 20 2HG ARG 20 -9.149 3.602 5.131
113 2HG ARG 20 1HG ARG 20 -8.619 2.151 4.267
114 1HD ARG 20 2HD ARG 20 -6.895 2.303 5.810
115 2HD ARG 20 1HD ARG 20 -6.208 3.376 4.568
116 HE ARG 20 HE ARG 20 -7.752 5.131 5.925
117 1HH1 ARG 20 1HH2 ARG 20 -5.591 2.625 7.066
118 2HH1 ARG 20 2HH2 ARG 20 -5.142 3.482 8.508
119 1HH2 ARG 20 1HH1 ARG 20 -7.224 6.190 7.910
120 2HH2 ARG 20 2HH1 ARG 20 -6.084 5.461 8.995
121 H PHE 21 H PHE 21 -10.478 4.127 0.198
122 HA PHE 21 HA PHE 21 -8.214 5.136 -1.488
123 1HB PHE 21 2HB PHE 21 -10.440 3.218 -2.189
124 2HB PHE 21 1HB PHE 21 -9.666 4.190 -3.435
125 HD1 PHE 21 1HD PHE 21 -9.112 1.550 -0.890
126 HD2 PHE 21 2HD PHE 21 -7.412 3.732 -4.163
127 HE1 PHE 21 1HE PHE 21 -7.259 -0.053 -0.989
128 HE2 PHE 21 2HE PHE 21 -5.527 2.122 -4.278
129 HZ PHE 21 HZ PHE 21 -5.441 0.218 -2.678
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 -14.824 -4.412 0.333
2 2H GLY 1 2HT GLY 1 -15.300 -4.679 -1.274
3 3H GLY 1 3HT GLY 1 -14.322 -3.346 -0.887
4 1HA GLY 1 2HA GLY 1 -13.344 -6.038 -0.241
5 2HA GLY 1 1HA GLY 1 -13.284 -5.495 -1.918
6 H CYS 2 H CYS 2 -10.847 -5.859 -1.018
7 HA CYS 2 HA CYS 2 -9.843 -3.122 -0.282
8 1HB CYS 2 2HB CYS 2 -9.135 -5.865 0.780
9 2HB CYS 2 1HB CYS 2 -8.033 -4.501 0.958
10 H ARG 3 H ARG 3 -7.595 -2.741 -1.069
11 HA ARG 3 HA ARG 3 -6.880 -4.491 -3.407
12 1HB ARG 3 2HB ARG 3 -8.013 -2.210 -3.809
13 2HB ARG 3 1HB ARG 3 -6.512 -1.495 -3.226
14 1HG ARG 3 2HG ARG 3 -5.589 -1.763 -5.262
15 2HG ARG 3 1HG ARG 3 -5.825 -3.506 -5.136
16 1HD ARG 3 2HD ARG 3 -6.963 -2.637 -7.151
17 2HD ARG 3 1HD ARG 3 -8.166 -3.221 -5.984
18 HE ARG 3 HE ARG 3 -7.818 -0.558 -5.281
19 1HH1 ARG 3 1HH2 ARG 3 -8.610 -2.263 -8.210
20 2HH1 ARG 3 2HH2 ARG 3 -9.554 -0.966 -8.854
21 1HH2 ARG 3 1HH1 ARG 3 -9.060 1.130 -6.132
22 2HH2 ARG 3 2HH1 ARG 3 -9.813 0.948 -7.679
23 H PHE 4 H PHE 4 -4.631 -4.762 -3.761
24 HA PHE 4 HA PHE 4 -2.885 -4.165 -1.428
25 1HB PHE 4 2HB PHE 4 -3.248 -6.418 -2.778
26 2HB PHE 4 1HB PHE 4 -2.106 -5.696 -3.905
27 HD1 PHE 4 1HD PHE 4 -0.066 -6.799 -3.620
28 HD2 PHE 4 2HD PHE 4 -2.285 -5.550 -0.160
29 HE1 PHE 4 1HE PHE 4 1.805 -7.518 -2.161
30 HE2 PHE 4 2HE PHE 4 -0.413 -6.265 1.299
31 HZ PHE 4 HZ PHE 4 1.631 -7.251 0.300
32 H CYS 5 H CYS 5 -1.438 -2.443 -1.546
33 HA CYS 5 HA CYS 5 -0.779 -1.385 -4.287
34 1HB CYS 5 2HB CYS 5 -0.824 0.395 -1.885
35 2HB CYS 5 1HB CYS 5 -1.259 0.761 -3.551
36 H CYS 6 H CYS 6 1.374 -0.554 -4.546
37 HA CYS 6 HA CYS 6 3.291 -1.272 -2.350
38 1HB CYS 6 2HB CYS 6 3.835 -1.192 -5.330
39 2HB CYS 6 1HB CYS 6 4.814 -1.959 -4.077
40 H ASN 7 H ASN 7 2.064 1.276 -2.399
41 HA ASN 7 HA ASN 7 4.357 3.038 -2.441
42 1HB ASN 7 2HB ASN 7 3.204 2.514 -4.933
43 2HB ASN 7 1HB ASN 7 2.513 4.067 -4.471
44 1HD2 ASN 7 1HD2 ASN 7 5.152 2.750 -6.038
45 2HD2 ASN 7 2HD2 ASN 7 6.264 4.007 -5.794
46 H CYS 8 H CYS 8 2.840 2.854 -0.320
47 HA CYS 8 HA CYS 8 0.583 4.819 -0.451
48 1HB CYS 8 2HB CYS 8 -0.188 3.780 1.501
49 2HB CYS 8 1HB CYS 8 0.635 2.435 0.716
50 H CYS 9 H CYS 9 3.619 4.171 1.245
51 HA CYS 9 HA CYS 9 3.832 7.040 1.987
52 1HB CYS 9 2HB CYS 9 4.207 4.906 4.068
53 2HB CYS 9 1HB CYS 9 3.610 6.551 4.263
54 HA PRO 10 HA PRO 10 8.096 6.090 1.259
55 1HB PRO 10 2HB PRO 10 9.326 7.999 2.792
56 2HB PRO 10 1HB PRO 10 8.511 8.360 1.259
57 1HG PRO 10 2HG PRO 10 7.563 8.767 4.044
58 2HG PRO 10 1HG PRO 10 7.314 9.769 2.607
59 1HD PRO 10 2HD PRO 10 5.424 8.073 3.644
60 2HD PRO 10 1HD PRO 10 5.483 8.586 1.941
61 H ASN 11 H ASN 11 7.142 4.203 2.960
62 HA ASN 11 HA ASN 11 9.408 3.704 4.772
63 1HB ASN 11 2HB ASN 11 7.626 5.207 5.914
64 2HB ASN 11 1HB ASN 11 6.614 3.765 5.926
65 1HD2 ASN 11 1HD2 ASN 11 9.697 5.087 7.152
66 2HD2 ASN 11 2HD2 ASN 11 9.860 3.961 8.410
67 H MET 12 H MET 12 8.254 2.352 2.405
68 HA MET 12 HA MET 12 7.841 -0.323 3.615
69 1HB MET 12 2HB MET 12 5.634 1.032 3.338
70 2HB MET 12 1HB MET 12 5.849 0.747 1.610
71 1HG MET 12 2HG MET 12 5.912 -1.683 2.002
72 2HG MET 12 1HG MET 12 5.736 -1.418 3.738
73 1HE MET 12 1HE MET 12 4.103 -2.400 4.446
74 2HE MET 12 2HE MET 12 3.189 -3.234 3.190
75 3HE MET 12 3HE MET 12 2.382 -2.073 4.244
76 H SER 13 H SER 13 9.523 -1.301 2.511
77 HA SER 13 HA SER 13 10.019 -0.704 -0.348
78 1HB SER 13 2HB SER 13 11.826 -2.547 0.198
79 2HB SER 13 1HB SER 13 11.999 -0.942 0.902
80 HG SER 13 HG SER 13 11.162 -3.360 2.075
81 H GLY 14 H GLY 14 7.515 -1.737 -0.269
82 1HA GLY 14 2HA GLY 14 7.670 -4.096 -1.874
83 2HA GLY 14 1HA GLY 14 7.215 -4.557 -0.231
84 H CYS 15 H CYS 15 5.028 -4.795 -0.096
85 HA CYS 15 HA CYS 15 3.300 -2.687 -1.338
86 1HB CYS 15 2HB CYS 15 2.952 -5.694 -1.508
87 2HB CYS 15 1HB CYS 15 1.832 -4.498 -2.158
88 H GLY 16 H GLY 16 1.258 -2.398 -0.260
89 1HA GLY 16 2HA GLY 16 0.965 -3.862 2.337
90 2HA GLY 16 1HA GLY 16 0.771 -2.110 2.256
91 H VAL 17 H VAL 17 -1.322 -3.763 3.153
92 HA VAL 17 HA VAL 17 -3.203 -4.145 0.908
93 HB VAL 17 HB VAL 17 -3.544 -4.435 3.918
94 1HG1 VAL 17 1HG1 VAL 17 -5.698 -4.343 2.840
95 2HG1 VAL 17 2HG1 VAL 17 -5.365 -6.039 3.187
96 3HG1 VAL 17 3HG1 VAL 17 -5.160 -5.420 1.549
97 1HG2 VAL 17 1HG2 VAL 17 -1.755 -5.899 3.187
98 2HG2 VAL 17 2HG2 VAL 17 -2.692 -6.427 1.791
99 3HG2 VAL 17 3HG2 VAL 17 -3.195 -6.891 3.417
100 H CYS 18 H CYS 18 -4.604 -2.541 0.257
101 HA CYS 18 HA CYS 18 -5.087 -0.234 2.134
102 1HB CYS 18 2HB CYS 18 -5.483 -0.166 -0.853
103 2HB CYS 18 1HB CYS 18 -5.099 1.159 0.237
104 H CYS 19 H CYS 19 -7.246 0.080 2.743
105 HA CYS 19 HA CYS 19 -9.319 -1.454 1.208
106 1HB CYS 19 2HB CYS 19 -8.992 -0.861 4.155
107 2HB CYS 19 1HB CYS 19 -10.493 -1.489 3.469
108 H ARG 20 H ARG 20 -8.268 1.674 1.660
109 HA ARG 20 HA ARG 20 -11.057 2.763 1.664
110 1HB ARG 20 2HB ARG 20 -9.816 4.924 2.265
111 2HB ARG 20 1HB ARG 20 -9.758 3.645 3.468
112 1HG ARG 20 2HG ARG 20 -7.507 3.068 2.889
113 2HG ARG 20 1HG ARG 20 -7.595 3.995 1.396
114 1HD ARG 20 2HD ARG 20 -7.141 5.983 2.442
115 2HD ARG 20 1HD ARG 20 -8.141 5.590 3.843
116 HE ARG 20 HE ARG 20 -6.295 4.309 4.770
117 1HH1 ARG 20 1HH2 ARG 20 -5.540 5.870 1.732
118 2HH1 ARG 20 2HH2 ARG 20 -3.844 5.774 1.993
119 1HH2 ARG 20 1HH1 ARG 20 -4.076 4.168 5.041
120 2HH2 ARG 20 2HH1 ARG 20 -3.030 4.824 3.835
121 H PHE 21 H PHE 21 -11.761 3.235 -0.375
122 HA PHE 21 HA PHE 21 -9.879 4.551 -2.290
123 1HB PHE 21 2HB PHE 21 -11.494 2.022 -2.648
124 2HB PHE 21 1HB PHE 21 -10.983 2.980 -4.036
125 HD1 PHE 21 1HD PHE 21 -9.852 0.866 -1.234
126 HD2 PHE 21 2HD PHE 21 -8.618 3.169 -4.635
127 HE1 PHE 21 1HE PHE 21 -7.609 -0.186 -1.125
128 HE2 PHE 21 2HE PHE 21 -6.365 2.109 -4.529
129 HZ PHE 21 HZ PHE 21 -5.857 0.431 -2.770