Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641557 | 6pip RC | 30621 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HN LYS 1 -11.922 1.124 0.962
2 HA LYS 1 HA LYS 1 -11.624 -1.408 2.396
3 HB2 LYS 1 2HB LYS 1 -13.508 -2.370 1.132
4 HB3 LYS 1 1HB LYS 1 -14.020 -1.044 2.157
5 HG2 LYS 1 2HG LYS 1 -14.165 0.422 0.221
6 HG3 LYS 1 1HG LYS 1 -13.563 -0.870 -0.819
7 HD2 LYS 1 2HD LYS 1 -15.500 -2.212 -0.392
8 HD3 LYS 1 1HD LYS 1 -16.076 -1.097 0.841
9 HE2 LYS 1 2HE LYS 1 -17.345 -0.782 -1.189
10 HE3 LYS 1 1HE LYS 1 -16.341 0.632 -0.901
11 HZ1 LYS 1 1HZ LYS 1 -14.765 -0.235 -2.580
12 HZ2 LYS 1 2HZ LYS 1 -16.282 0.018 -3.209
13 HZ3 LYS 1 3HZ LYS 1 -15.794 -1.542 -2.862
14 H TRP 2 HN TRP 2 -10.214 0.426 0.275
15 HA TRP 2 HA TRP 2 -9.865 -1.598 -1.818
16 HB2 TRP 2 2HB TRP 2 -10.398 0.845 -2.368
17 HB3 TRP 2 1HB TRP 2 -8.813 1.217 -1.713
18 HD1 TRP 2 1HD TRP 2 -6.707 -0.246 -3.091
19 HE1 TRP 2 1HE TRP 2 -6.440 -0.513 -5.639
20 HE3 TRP 2 3HE TRP 2 -11.499 0.835 -4.514
21 HZ2 TRP 2 2HZ TRP 2 -8.052 -0.250 -7.951
22 HZ3 TRP 2 3HZ TRP 2 -12.048 0.816 -6.915
23 HH2 TRP 2 2HH TRP 2 -10.362 0.287 -8.590
24 H CYS 3 HN CYS 3 -8.077 -2.829 -1.672
25 HA CYS 3 HA CYS 3 -5.905 -1.844 0.012
26 HB2 CYS 3 2HB CYS 3 -6.628 -4.671 -0.777
27 HB3 CYS 3 1HB CYS 3 -5.222 -4.217 0.172
28 H PHE 4 HN PHE 4 -4.128 -1.278 -0.932
29 HA PHE 4 HA PHE 4 -3.551 -2.423 -3.510
30 HB2 PHE 4 2HB PHE 4 -2.772 -0.207 -4.352
31 HB3 PHE 4 1HB PHE 4 -4.493 -0.268 -4.048
32 HD1 PHE 4 1HD PHE 4 -5.403 0.909 -2.001
33 HD2 PHE 4 2HD PHE 4 -1.384 1.378 -3.321
34 HE1 PHE 4 1HE PHE 4 -5.233 2.995 -0.726
35 HE2 PHE 4 2HE PHE 4 -1.208 3.465 -2.029
36 HZ PHE 4 HZ PHE 4 -3.131 4.276 -0.731
37 H ARG 5 HN ARG 5 -1.393 -2.497 -4.048
38 HA ARG 5 HA ARG 5 0.270 -2.937 -1.743
39 HB2 ARG 5 2HB ARG 5 0.263 -4.583 -3.527
40 HB3 ARG 5 1HB ARG 5 0.770 -3.365 -4.687
41 HG2 ARG 5 2HG ARG 5 2.895 -3.130 -3.525
42 HG3 ARG 5 1HG ARG 5 2.380 -4.324 -2.335
43 HD2 ARG 5 2HD ARG 5 2.216 -6.009 -4.061
44 HD3 ARG 5 1HD ARG 5 2.646 -4.813 -5.284
45 HE ARG 5 HE ARG 5 4.752 -4.580 -3.913
46 HH11 ARG 5 1HH1 ARG 5 3.059 -7.642 -4.458
47 HH12 ARG 5 2HH1 ARG 5 4.412 -8.624 -4.217
48 HH21 ARG 5 1HH2 ARG 5 6.653 -5.935 -3.590
49 HH22 ARG 5 2HH2 ARG 5 6.524 -7.619 -3.694
50 H VAL 6 HN VAL 6 1.603 -1.530 -0.974
51 HA VAL 6 HA VAL 6 2.423 0.735 -2.644
52 HB VAL 6 HB VAL 6 2.399 0.539 0.378
53 HG11 VAL 6 1HG1 VAL 6 2.808 2.913 -1.433
54 HG12 VAL 6 2HG1 VAL 6 4.043 2.108 -0.466
55 HG13 VAL 6 3HG1 VAL 6 2.717 2.958 0.329
56 HG21 VAL 6 1HG2 VAL 6 0.451 2.058 0.305
57 HG22 VAL 6 2HG2 VAL 6 0.116 0.490 -0.411
58 HG23 VAL 6 3HG2 VAL 6 0.412 1.886 -1.450
59 H CYS 7 HN CYS 7 4.450 0.445 -3.350
60 HA CYS 7 HA CYS 7 6.327 -0.840 -1.522
61 HB2 CYS 7 2HB CYS 7 6.429 -0.563 -4.536
62 HB3 CYS 7 1HB CYS 7 7.764 -1.167 -3.562
63 H TYR 8 HN TYR 8 7.602 0.393 -0.533
64 HA TYR 8 HA TYR 8 8.455 2.939 -1.716
65 HB2 TYR 8 2HB TYR 8 6.730 3.437 -0.078
66 HB3 TYR 8 1HB TYR 8 7.525 2.419 1.113
67 HD1 TYR 8 1HD TYR 8 9.088 3.349 2.588
68 HD2 TYR 8 2HD TYR 8 8.014 5.514 -0.910
69 HE1 TYR 8 1HE TYR 8 10.339 5.279 3.412
70 HE2 TYR 8 2HE TYR 8 9.251 7.453 -0.100
71 HH TYR 8 HH TYR 8 10.117 8.377 1.927
72 H ARG 9 HN ARG 9 10.492 2.629 -2.135
73 HA ARG 9 HA ARG 9 12.711 2.281 -1.895
74 HB2 ARG 9 2HB ARG 9 12.120 2.225 1.072
75 HB3 ARG 9 1HB ARG 9 13.721 2.317 0.365
76 HG2 ARG 9 2HG ARG 9 13.018 4.514 -0.670
77 HG3 ARG 9 1HG ARG 9 11.547 4.383 0.282
78 HD2 ARG 9 2HD ARG 9 12.799 4.300 2.339
79 HD3 ARG 9 1HD ARG 9 14.317 4.310 1.448
80 HE ARG 9 HE ARG 9 12.546 6.579 1.053
81 HH11 ARG 9 1HH1 ARG 9 15.363 5.254 2.710
82 HH12 ARG 9 2HH1 ARG 9 15.985 6.778 3.162
83 HH21 ARG 9 1HH2 ARG 9 13.439 8.703 1.696
84 HH22 ARG 9 2HH2 ARG 9 14.917 8.734 2.552
85 H GLY 10 HN GLY 10 10.799 0.016 -2.050
86 HA2 GLY 10 2HA GLY 10 11.424 -2.250 -2.450
87 HA3 GLY 10 1HA GLY 10 12.682 -2.079 -1.230
88 H ILE 11 HN ILE 11 10.432 -0.636 0.334
89 HA ILE 11 HA ILE 11 9.590 -2.993 1.789
90 HB ILE 11 HB ILE 11 8.954 -0.064 2.292
91 HG12 ILE 11 2HG1 ILE 11 11.133 -1.697 3.597
92 HG13 ILE 11 1HG1 ILE 11 11.413 -0.630 2.225
93 HG21 ILE 11 1HG2 ILE 11 8.887 -2.449 4.151
94 HG22 ILE 11 2HG2 ILE 11 7.480 -1.672 3.438
95 HG23 ILE 11 3HG2 ILE 11 8.488 -0.784 4.585
96 HD11 ILE 11 1HD1 ILE 11 10.370 0.195 4.929
97 HD12 ILE 11 2HD1 ILE 11 10.646 1.264 3.552
98 HD13 ILE 11 3HD1 ILE 11 12.011 0.451 4.322
99 H CYS 12 HN CYS 12 7.898 -3.993 0.879
100 HA CYS 12 HA CYS 12 5.779 -2.361 -0.328
101 HB2 CYS 12 2HB CYS 12 6.417 -5.286 -0.738
102 HB3 CYS 12 1HB CYS 12 5.095 -4.400 -1.491
103 H TYR 13 HN TYR 13 3.860 -2.254 0.629
104 HA TYR 13 HA TYR 13 3.075 -4.418 2.350
105 HB2 TYR 13 2HB TYR 13 2.212 -2.699 4.028
106 HB3 TYR 13 1HB TYR 13 3.930 -3.044 4.035
107 HD1 TYR 13 1HD TYR 13 1.347 -0.415 3.561
108 HD2 TYR 13 2HD TYR 13 5.506 -1.357 3.166
109 HE1 TYR 13 1HE TYR 13 1.892 1.935 3.519
110 HE2 TYR 13 2HE TYR 13 6.031 1.023 3.102
111 HH TYR 13 HH TYR 13 4.875 3.179 2.571
112 H ARG 14 HN ARG 14 0.938 -4.693 2.614
113 HA ARG 14 HA ARG 14 -0.696 -3.640 0.489
114 HB2 ARG 14 2HB ARG 14 -0.878 -6.004 1.025
115 HB3 ARG 14 1HB ARG 14 -1.254 -5.630 2.696
116 HG2 ARG 14 2HG ARG 14 -3.385 -4.646 2.001
117 HG3 ARG 14 1HG ARG 14 -2.997 -5.001 0.315
118 HD2 ARG 14 2HD ARG 14 -2.931 -7.359 0.785
119 HD3 ARG 14 1HD ARG 14 -3.188 -7.059 2.501
120 HE ARG 14 HE ARG 14 -5.392 -6.028 1.639
121 HH11 ARG 14 1HH1 ARG 14 -3.840 -8.916 0.241
122 HH12 ARG 14 2HH1 ARG 14 -5.297 -9.671 -0.176
123 HH21 ARG 14 1HH2 ARG 14 -7.438 -7.116 1.028
124 HH22 ARG 14 2HH2 ARG 14 -7.364 -8.626 0.269
125 H LYS 15 HN LYS 15 -1.160 -1.607 0.878
126 HA LYS 15 HA LYS 15 -2.151 -0.832 3.503
127 HB2 LYS 15 2HB LYS 15 -0.527 0.636 2.380
128 HB3 LYS 15 1HB LYS 15 -1.657 0.852 1.047
129 HG2 LYS 15 2HG LYS 15 -3.258 1.892 2.589
130 HG3 LYS 15 1HG LYS 15 -2.096 1.711 3.900
131 HD2 LYS 15 2HD LYS 15 -1.659 3.330 1.383
132 HD3 LYS 15 1HD LYS 15 -2.117 3.962 2.972
133 HE2 LYS 15 2HE LYS 15 -0.023 3.156 3.909
134 HE3 LYS 15 1HE LYS 15 0.424 2.499 2.331
135 HZ1 LYS 15 1HZ LYS 15 1.448 4.684 2.796
136 HZ2 LYS 15 2HZ LYS 15 -0.078 5.380 2.842
137 HZ3 LYS 15 3HZ LYS 15 0.495 4.690 1.428
138 H CYS 16 HN CYS 16 -4.181 -0.667 3.904
139 HA CYS 16 HA CYS 16 -6.050 -0.834 1.658
140 HB2 CYS 16 2HB CYS 16 -6.406 -1.764 4.507
141 HB3 CYS 16 1HB CYS 16 -7.654 -1.846 3.263
142 H ARG 17 HN ARG 17 -6.953 0.949 1.175
143 HA ARG 17 HA ARG 17 -7.378 2.993 3.233
144 HB2 ARG 17 2HB ARG 17 -5.833 3.559 1.348
145 HB3 ARG 17 1HB ARG 17 -7.154 3.281 0.230
146 HG2 ARG 17 2HG ARG 17 -8.392 5.148 1.186
147 HG3 ARG 17 1HG ARG 17 -7.104 5.410 2.360
148 HD2 ARG 17 2HD ARG 17 -6.924 6.982 0.489
149 HD3 ARG 17 1HD ARG 17 -5.529 5.906 0.556
150 HE ARG 17 HE ARG 17 -7.471 4.813 -1.136
151 HH11 ARG 17 1HH1 ARG 17 -5.203 7.517 -1.118
152 HH12 ARG 17 2HH1 ARG 17 -5.030 7.590 -2.810
153 HH21 ARG 17 1HH2 ARG 17 -7.237 4.871 -3.430
154 HH22 ARG 17 2HH2 ARG 17 -6.227 6.017 -4.189
155 H GLY 18 HN GLY 18 -9.402 2.852 3.903
156 HA2 GLY 18 2HA GLY 18 -11.714 2.916 3.807
157 HA3 GLY 18 1HA GLY 18 -11.610 2.938 2.044
Start of MODEL 2
1 H1 LYS 1 HN LYS 1 -11.875 1.336 0.953
2 HA LYS 1 HA LYS 1 -11.523 -1.128 2.498
3 HB2 LYS 1 2HB LYS 1 -13.802 -0.557 0.598
4 HB3 LYS 1 1HB LYS 1 -13.532 -2.057 1.472
5 HG2 LYS 1 2HG LYS 1 -13.744 -0.718 3.596
6 HG3 LYS 1 1HG LYS 1 -14.285 0.626 2.598
7 HD2 LYS 1 2HD LYS 1 -16.246 -0.474 3.406
8 HD3 LYS 1 1HD LYS 1 -16.083 -0.866 1.699
9 HE2 LYS 1 2HE LYS 1 -16.704 -2.836 3.003
10 HE3 LYS 1 1HE LYS 1 -15.124 -3.049 2.263
11 HZ1 LYS 1 1HZ LYS 1 -15.187 -3.813 4.562
12 HZ2 LYS 1 2HZ LYS 1 -15.607 -2.291 5.109
13 HZ3 LYS 1 3HZ LYS 1 -14.093 -2.549 4.416
14 H TRP 2 HN TRP 2 -10.058 0.433 0.322
15 HA TRP 2 HA TRP 2 -9.890 -1.723 -1.666
16 HB2 TRP 2 2HB TRP 2 -10.333 0.674 -2.412
17 HB3 TRP 2 1HB TRP 2 -8.741 1.070 -1.799
18 HD1 TRP 2 1HD TRP 2 -6.685 -0.584 -3.052
19 HE1 TRP 2 1HE TRP 2 -6.434 -1.010 -5.598
20 HE3 TRP 2 3HE TRP 2 -11.435 0.525 -4.536
21 HZ2 TRP 2 2HZ TRP 2 -8.041 -0.876 -7.900
22 HZ3 TRP 2 3HZ TRP 2 -11.995 0.360 -6.925
23 HH2 TRP 2 2HH TRP 2 -10.331 -0.326 -8.562
24 H CYS 3 HN CYS 3 -8.192 -3.042 -1.385
25 HA CYS 3 HA CYS 3 -5.898 -2.019 0.119
26 HB2 CYS 3 2HB CYS 3 -6.837 -4.842 -0.362
27 HB3 CYS 3 1HB CYS 3 -5.354 -4.424 0.492
28 H PHE 4 HN PHE 4 -4.063 -1.727 -0.900
29 HA PHE 4 HA PHE 4 -3.644 -3.095 -3.401
30 HB2 PHE 4 2HB PHE 4 -2.973 -0.987 -4.540
31 HB3 PHE 4 1HB PHE 4 -4.677 -1.048 -4.139
32 HD1 PHE 4 1HD PHE 4 -5.340 0.178 -1.892
33 HD2 PHE 4 2HD PHE 4 -1.749 0.893 -4.063
34 HE1 PHE 4 1HE PHE 4 -5.176 2.377 -0.874
35 HE2 PHE 4 2HE PHE 4 -1.577 3.108 -3.019
36 HZ PHE 4 HZ PHE 4 -3.297 3.853 -1.423
37 H ARG 5 HN ARG 5 -1.418 -2.496 -4.257
38 HA ARG 5 HA ARG 5 0.380 -3.075 -2.063
39 HB2 ARG 5 2HB ARG 5 0.433 -4.585 -3.933
40 HB3 ARG 5 1HB ARG 5 0.686 -3.256 -5.051
41 HG2 ARG 5 2HG ARG 5 2.888 -2.844 -4.045
42 HG3 ARG 5 1HG ARG 5 2.625 -4.205 -2.950
43 HD2 ARG 5 2HD ARG 5 2.494 -5.731 -4.762
44 HD3 ARG 5 1HD ARG 5 2.526 -4.410 -5.936
45 HE ARG 5 HE ARG 5 4.835 -4.042 -4.731
46 HH11 ARG 5 1HH1 ARG 5 3.356 -7.077 -5.815
47 HH12 ARG 5 2HH1 ARG 5 4.829 -7.834 -6.204
48 HH21 ARG 5 1HH2 ARG 5 6.902 -5.088 -5.314
49 HH22 ARG 5 2HH2 ARG 5 6.868 -6.700 -5.861
50 H VAL 6 HN VAL 6 1.628 -1.628 -1.244
51 HA VAL 6 HA VAL 6 2.380 0.742 -2.803
52 HB VAL 6 HB VAL 6 1.952 0.500 0.198
53 HG11 VAL 6 1HG1 VAL 6 2.715 2.928 -1.426
54 HG12 VAL 6 2HG1 VAL 6 3.789 2.029 -0.359
55 HG13 VAL 6 3HG1 VAL 6 2.403 2.889 0.308
56 HG21 VAL 6 1HG2 VAL 6 0.389 2.027 -1.876
57 HG22 VAL 6 2HG2 VAL 6 0.123 2.070 -0.130
58 HG23 VAL 6 3HG2 VAL 6 -0.143 0.578 -1.020
59 H CYS 7 HN CYS 7 4.514 0.748 -3.193
60 HA CYS 7 HA CYS 7 6.208 -0.763 -1.356
61 HB2 CYS 7 2HB CYS 7 6.677 -0.077 -4.266
62 HB3 CYS 7 1HB CYS 7 7.798 -0.953 -3.232
63 H TYR 8 HN TYR 8 7.347 0.371 -0.085
64 HA TYR 8 HA TYR 8 8.154 3.078 -0.895
65 HB2 TYR 8 2HB TYR 8 6.523 3.165 0.921
66 HB3 TYR 8 1HB TYR 8 7.478 2.020 1.855
67 HD1 TYR 8 1HD TYR 8 8.971 2.855 3.449
68 HD2 TYR 8 2HD TYR 8 7.745 5.402 0.264
69 HE1 TYR 8 1HE TYR 8 10.187 4.711 4.477
70 HE2 TYR 8 2HE TYR 8 8.955 7.272 1.281
71 HH TYR 8 HH TYR 8 9.831 7.966 3.415
72 H ARG 9 HN ARG 9 10.152 2.931 -1.523
73 HA ARG 9 HA ARG 9 12.393 2.631 -1.551
74 HB2 ARG 9 2HB ARG 9 12.146 2.030 1.414
75 HB3 ARG 9 1HB ARG 9 13.627 2.443 0.567
76 HG2 ARG 9 2HG ARG 9 12.649 4.664 0.050
77 HG3 ARG 9 1HG ARG 9 11.251 4.231 1.032
78 HD2 ARG 9 2HD ARG 9 12.709 5.526 2.403
79 HD3 ARG 9 1HD ARG 9 12.821 3.855 2.947
80 HE ARG 9 HE ARG 9 14.793 4.604 0.999
81 HH11 ARG 9 1HH1 ARG 9 14.136 4.245 4.474
82 HH12 ARG 9 2HH1 ARG 9 15.758 4.468 4.922
83 HH21 ARG 9 1HH2 ARG 9 17.014 4.906 1.660
84 HH22 ARG 9 2HH2 ARG 9 17.421 4.832 3.308
85 H GLY 10 HN GLY 10 10.554 0.396 -1.960
86 HA2 GLY 10 2HA GLY 10 11.180 -1.730 -2.811
87 HA3 GLY 10 1HA GLY 10 12.512 -1.761 -1.657
88 H ILE 11 HN ILE 11 10.264 -0.672 0.233
89 HA ILE 11 HA ILE 11 9.601 -3.289 1.279
90 HB ILE 11 HB ILE 11 8.982 -0.525 2.360
91 HG12 ILE 11 2HG1 ILE 11 11.197 -2.391 3.216
92 HG13 ILE 11 1HG1 ILE 11 11.429 -1.062 2.084
93 HG21 ILE 11 1HG2 ILE 11 8.937 -3.232 3.695
94 HG22 ILE 11 2HG2 ILE 11 7.526 -2.277 3.248
95 HG23 ILE 11 3HG2 ILE 11 8.632 -1.688 4.490
96 HD11 ILE 11 1HD1 ILE 11 10.503 -0.811 4.936
97 HD12 ILE 11 2HD1 ILE 11 10.747 0.518 3.799
98 HD13 ILE 11 3HD1 ILE 11 12.124 -0.453 4.330
99 H CYS 12 HN CYS 12 7.903 -4.127 0.206
100 HA CYS 12 HA CYS 12 5.686 -2.374 -0.514
101 HB2 CYS 12 2HB CYS 12 6.137 -5.277 -1.248
102 HB3 CYS 12 1HB CYS 12 4.886 -4.204 -1.873
103 H TYR 13 HN TYR 13 3.827 -2.378 0.539
104 HA TYR 13 HA TYR 13 3.248 -4.603 2.303
105 HB2 TYR 13 2HB TYR 13 2.513 -2.976 4.074
106 HB3 TYR 13 1HB TYR 13 4.247 -3.037 3.812
107 HD1 TYR 13 1HD TYR 13 1.216 -0.953 3.512
108 HD2 TYR 13 2HD TYR 13 5.421 -1.124 2.857
109 HE1 TYR 13 1HE TYR 13 1.276 1.483 3.268
110 HE2 TYR 13 2HE TYR 13 5.484 1.302 2.603
111 HH TYR 13 HH TYR 13 2.805 3.331 3.393
112 H ARG 14 HN ARG 14 1.041 -4.666 2.959
113 HA ARG 14 HA ARG 14 -0.717 -3.870 0.833
114 HB2 ARG 14 2HB ARG 14 -1.012 -6.114 1.688
115 HB3 ARG 14 1HB ARG 14 -1.144 -5.516 3.334
116 HG2 ARG 14 2HG ARG 14 -3.265 -4.450 2.804
117 HG3 ARG 14 1HG ARG 14 -3.128 -4.977 1.130
118 HD2 ARG 14 2HD ARG 14 -3.328 -7.257 1.745
119 HD3 ARG 14 1HD ARG 14 -3.158 -6.888 3.457
120 HE ARG 14 HE ARG 14 -5.343 -5.479 2.764
121 HH11 ARG 14 1HH1 ARG 14 -4.499 -8.882 2.304
122 HH12 ARG 14 2HH1 ARG 14 -6.104 -9.430 2.382
123 HH21 ARG 14 1HH2 ARG 14 -7.565 -6.270 2.874
124 HH22 ARG 14 2HH2 ARG 14 -7.848 -7.929 2.716
125 H LYS 15 HN LYS 15 -1.173 -1.808 0.889
126 HA LYS 15 HA LYS 15 -2.018 -0.632 3.421
127 HB2 LYS 15 2HB LYS 15 -0.390 0.614 2.041
128 HB3 LYS 15 1HB LYS 15 -1.570 0.657 0.737
129 HG2 LYS 15 2HG LYS 15 -3.055 2.024 2.103
130 HG3 LYS 15 1HG LYS 15 -1.899 1.961 3.436
131 HD2 LYS 15 2HD LYS 15 -0.225 3.082 2.032
132 HD3 LYS 15 1HD LYS 15 -1.387 3.135 0.707
133 HE2 LYS 15 2HE LYS 15 -2.856 4.554 2.033
134 HE3 LYS 15 1HE LYS 15 -1.734 4.459 3.390
135 HZ1 LYS 15 1HZ LYS 15 -0.071 5.586 2.045
136 HZ2 LYS 15 2HZ LYS 15 -1.476 6.517 2.135
137 HZ3 LYS 15 3HZ LYS 15 -1.137 5.667 0.742
138 H CYS 16 HN CYS 16 -4.040 -0.437 3.835
139 HA CYS 16 HA CYS 16 -5.959 -0.780 1.660
140 HB2 CYS 16 2HB CYS 16 -6.279 -1.409 4.595
141 HB3 CYS 16 1HB CYS 16 -7.557 -1.562 3.391
142 H ARG 17 HN ARG 17 -6.806 0.954 1.036
143 HA ARG 17 HA ARG 17 -7.078 3.249 2.850
144 HB2 ARG 17 2HB ARG 17 -5.670 3.482 0.800
145 HB3 ARG 17 1HB ARG 17 -7.082 3.092 -0.170
146 HG2 ARG 17 2HG ARG 17 -8.173 5.130 0.664
147 HG3 ARG 17 1HG ARG 17 -6.705 5.517 1.574
148 HD2 ARG 17 2HD ARG 17 -5.441 5.395 -0.574
149 HD3 ARG 17 1HD ARG 17 -6.984 5.233 -1.403
150 HE ARG 17 HE ARG 17 -7.059 7.509 0.210
151 HH11 ARG 17 1HH1 ARG 17 -5.618 6.337 -2.825
152 HH12 ARG 17 2HH1 ARG 17 -5.212 7.882 -3.382
153 HH21 ARG 17 1HH2 ARG 17 -6.545 9.654 -0.624
154 HH22 ARG 17 2HH2 ARG 17 -5.771 9.788 -2.135
155 H GLY 18 HN GLY 18 -9.115 3.334 3.612
156 HA2 GLY 18 2HA GLY 18 -11.395 3.225 3.664
157 HA3 GLY 18 1HA GLY 18 -11.369 3.170 1.894
Start of MODEL 3
1 H1 LYS 1 HN LYS 1 -12.105 1.190 1.124
2 HA LYS 1 HA LYS 1 -12.033 -1.351 2.624
3 HB2 LYS 1 2HB LYS 1 -13.891 -2.114 1.205
4 HB3 LYS 1 1HB LYS 1 -14.322 -0.682 2.131
5 HG2 LYS 1 2HG LYS 1 -14.002 0.714 0.176
6 HG3 LYS 1 1HG LYS 1 -13.483 -0.685 -0.762
7 HD2 LYS 1 2HD LYS 1 -15.688 -1.702 -0.435
8 HD3 LYS 1 1HD LYS 1 -16.203 -0.282 0.479
9 HE2 LYS 1 2HE LYS 1 -16.984 -0.170 -1.828
10 HE3 LYS 1 1HE LYS 1 -15.839 1.122 -1.483
11 HZ1 LYS 1 1HZ LYS 1 -15.180 -1.416 -2.890
12 HZ2 LYS 1 2HZ LYS 1 -14.112 -0.134 -2.630
13 HZ3 LYS 1 3HZ LYS 1 -15.448 0.062 -3.631
14 H TRP 2 HN TRP 2 -10.400 0.298 0.352
15 HA TRP 2 HA TRP 2 -10.022 -1.995 -1.450
16 HB2 TRP 2 2HB TRP 2 -10.696 0.273 -2.360
17 HB3 TRP 2 1HB TRP 2 -9.127 0.861 -1.832
18 HD1 TRP 2 1HD TRP 2 -6.953 -0.456 -3.062
19 HE1 TRP 2 1HE TRP 2 -6.764 -1.217 -5.526
20 HE3 TRP 2 3HE TRP 2 -11.910 -0.524 -4.290
21 HZ2 TRP 2 2HZ TRP 2 -8.482 -1.764 -7.683
22 HZ3 TRP 2 3HZ TRP 2 -12.555 -1.178 -6.574
23 HH2 TRP 2 2HH TRP 2 -10.872 -1.782 -8.230
24 H CYS 3 HN CYS 3 -7.983 -2.922 -1.576
25 HA CYS 3 HA CYS 3 -5.861 -1.672 0.004
26 HB2 CYS 3 2HB CYS 3 -6.568 -4.589 -0.180
27 HB3 CYS 3 1HB CYS 3 -5.189 -3.938 0.699
28 H PHE 4 HN PHE 4 -3.876 -1.636 -1.006
29 HA PHE 4 HA PHE 4 -3.457 -3.343 -3.291
30 HB2 PHE 4 2HB PHE 4 -2.880 -1.542 -4.833
31 HB3 PHE 4 1HB PHE 4 -4.523 -1.325 -4.263
32 HD1 PHE 4 1HD PHE 4 -4.924 0.418 -2.440
33 HD2 PHE 4 2HD PHE 4 -1.298 0.141 -4.647
34 HE1 PHE 4 1HE PHE 4 -4.379 2.743 -1.841
35 HE2 PHE 4 2HE PHE 4 -0.750 2.454 -4.048
36 HZ PHE 4 HZ PHE 4 -2.290 3.756 -2.645
37 H ARG 5 HN ARG 5 -1.159 -2.950 -4.155
38 HA ARG 5 HA ARG 5 0.523 -3.135 -1.832
39 HB2 ARG 5 2HB ARG 5 0.758 -4.832 -3.578
40 HB3 ARG 5 1HB ARG 5 1.152 -3.584 -4.750
41 HG2 ARG 5 2HG ARG 5 3.208 -3.092 -3.680
42 HG3 ARG 5 1HG ARG 5 2.799 -4.091 -2.291
43 HD2 ARG 5 2HD ARG 5 4.372 -5.295 -3.638
44 HD3 ARG 5 1HD ARG 5 2.803 -6.068 -3.796
45 HE ARG 5 HE ARG 5 3.012 -4.320 -5.914
46 HH11 ARG 5 1HH1 ARG 5 4.812 -7.107 -4.697
47 HH12 ARG 5 2HH1 ARG 5 5.337 -7.630 -6.231
48 HH21 ARG 5 1HH2 ARG 5 3.767 -5.034 -8.046
49 HH22 ARG 5 2HH2 ARG 5 4.750 -6.427 -8.152
50 H VAL 6 HN VAL 6 1.545 -1.521 -1.026
51 HA VAL 6 HA VAL 6 2.304 0.726 -2.747
52 HB VAL 6 HB VAL 6 1.943 0.629 0.268
53 HG11 VAL 6 1HG1 VAL 6 2.563 2.971 -1.532
54 HG12 VAL 6 2HG1 VAL 6 3.683 2.210 -0.404
55 HG13 VAL 6 3HG1 VAL 6 2.257 3.051 0.203
56 HG21 VAL 6 1HG2 VAL 6 -0.178 0.529 -0.905
57 HG22 VAL 6 2HG2 VAL 6 0.268 1.944 -1.859
58 HG23 VAL 6 3HG2 VAL 6 0.025 2.095 -0.119
59 H CYS 7 HN CYS 7 4.405 0.913 -3.119
60 HA CYS 7 HA CYS 7 6.216 -0.607 -1.398
61 HB2 CYS 7 2HB CYS 7 6.475 0.101 -4.315
62 HB3 CYS 7 1HB CYS 7 7.742 -0.678 -3.363
63 H TYR 8 HN TYR 8 7.557 0.442 -0.225
64 HA TYR 8 HA TYR 8 8.475 3.100 -1.046
65 HB2 TYR 8 2HB TYR 8 6.829 3.408 0.734
66 HB3 TYR 8 1HB TYR 8 7.633 2.183 1.712
67 HD1 TYR 8 1HD TYR 8 9.079 2.927 3.385
68 HD2 TYR 8 2HD TYR 8 8.421 5.408 -0.007
69 HE1 TYR 8 1HE TYR 8 10.523 4.646 4.362
70 HE2 TYR 8 2HE TYR 8 9.852 7.119 0.959
71 HH TYR 8 HH TYR 8 10.679 7.819 3.152
72 H ARG 9 HN ARG 9 10.570 2.851 -1.505
73 HA ARG 9 HA ARG 9 12.765 2.351 -1.373
74 HB2 ARG 9 2HB ARG 9 12.186 1.631 1.509
75 HB3 ARG 9 1HB ARG 9 13.784 1.811 0.812
76 HG2 ARG 9 2HG ARG 9 13.237 4.194 0.350
77 HG3 ARG 9 1HG ARG 9 11.720 3.952 1.213
78 HD2 ARG 9 2HD ARG 9 12.936 3.278 3.213
79 HD3 ARG 9 1HD ARG 9 14.464 3.494 2.364
80 HE ARG 9 HE ARG 9 12.616 5.746 2.723
81 HH11 ARG 9 1HH1 ARG 9 15.786 4.282 3.306
82 HH12 ARG 9 2HH1 ARG 9 16.482 5.707 3.921
83 HH21 ARG 9 1HH2 ARG 9 13.583 7.693 3.586
84 HH22 ARG 9 2HH2 ARG 9 15.201 7.654 4.114
85 H GLY 10 HN GLY 10 10.692 0.264 -1.918
86 HA2 GLY 10 2HA GLY 10 11.170 -1.911 -2.815
87 HA3 GLY 10 1HA GLY 10 12.483 -2.041 -1.638
88 H ILE 11 HN ILE 11 10.496 -0.826 0.316
89 HA ILE 11 HA ILE 11 9.583 -3.322 1.421
90 HB ILE 11 HB ILE 11 9.097 -0.469 2.344
91 HG12 ILE 11 2HG1 ILE 11 11.220 -2.374 3.330
92 HG13 ILE 11 1HG1 ILE 11 11.521 -1.135 2.119
93 HG21 ILE 11 1HG2 ILE 11 8.701 -1.497 4.552
94 HG22 ILE 11 2HG2 ILE 11 8.883 -3.094 3.827
95 HG23 ILE 11 3HG2 ILE 11 7.548 -2.053 3.341
96 HD11 ILE 11 1HD1 ILE 11 12.231 -0.400 4.335
97 HD12 ILE 11 2HD1 ILE 11 10.598 -0.665 4.953
98 HD13 ILE 11 3HD1 ILE 11 10.890 0.582 3.740
99 H CYS 12 HN CYS 12 7.860 -4.129 0.375
100 HA CYS 12 HA CYS 12 5.752 -2.294 -0.427
101 HB2 CYS 12 2HB CYS 12 6.281 -5.133 -1.305
102 HB3 CYS 12 1HB CYS 12 4.991 -4.093 -1.896
103 H TYR 13 HN TYR 13 3.940 -2.251 0.623
104 HA TYR 13 HA TYR 13 3.154 -4.561 2.194
105 HB2 TYR 13 2HB TYR 13 2.393 -2.992 4.001
106 HB3 TYR 13 1HB TYR 13 4.134 -3.079 3.831
107 HD1 TYR 13 1HD TYR 13 1.183 -0.950 3.546
108 HD2 TYR 13 2HD TYR 13 5.389 -1.141 2.926
109 HE1 TYR 13 1HE TYR 13 1.271 1.486 3.402
110 HE2 TYR 13 2HE TYR 13 5.492 1.296 2.780
111 HH TYR 13 HH TYR 13 3.937 3.212 2.243
112 H ARG 14 HN ARG 14 0.886 -4.699 2.489
113 HA ARG 14 HA ARG 14 -0.545 -3.484 0.294
114 HB2 ARG 14 2HB ARG 14 -0.819 -5.913 0.990
115 HB3 ARG 14 1HB ARG 14 -1.632 -5.317 2.431
116 HG2 ARG 14 2HG ARG 14 -3.204 -4.112 0.901
117 HG3 ARG 14 1HG ARG 14 -2.506 -5.041 -0.424
118 HD2 ARG 14 2HD ARG 14 -4.439 -6.224 0.267
119 HD3 ARG 14 1HD ARG 14 -3.055 -7.113 0.907
120 HE ARG 14 HE ARG 14 -3.969 -5.254 2.817
121 HH11 ARG 14 1HH1 ARG 14 -4.760 -8.395 1.468
122 HH12 ARG 14 2HH1 ARG 14 -5.804 -8.853 2.731
123 HH21 ARG 14 1HH2 ARG 14 -5.357 -5.830 4.553
124 HH22 ARG 14 2HH2 ARG 14 -6.167 -7.328 4.570
125 H LYS 15 HN LYS 15 -1.027 -1.432 0.729
126 HA LYS 15 HA LYS 15 -1.907 -0.690 3.413
127 HB2 LYS 15 2HB LYS 15 -0.251 0.686 2.049
128 HB3 LYS 15 1HB LYS 15 -1.598 1.092 1.005
129 HG2 LYS 15 2HG LYS 15 -2.754 2.129 2.901
130 HG3 LYS 15 1HG LYS 15 -1.378 1.738 3.936
131 HD2 LYS 15 2HD LYS 15 0.061 3.060 2.367
132 HD3 LYS 15 1HD LYS 15 -1.411 3.568 1.541
133 HE2 LYS 15 2HE LYS 15 -0.741 4.073 4.441
134 HE3 LYS 15 1HE LYS 15 -0.654 5.257 3.139
135 HZ1 LYS 15 1HZ LYS 15 -3.111 3.909 4.109
136 HZ2 LYS 15 2HZ LYS 15 -3.060 5.079 2.897
137 HZ3 LYS 15 3HZ LYS 15 -2.641 5.467 4.461
138 H CYS 16 HN CYS 16 -3.991 -0.105 3.835
139 HA CYS 16 HA CYS 16 -5.851 -0.525 1.634
140 HB2 CYS 16 2HB CYS 16 -6.243 -0.937 4.600
141 HB3 CYS 16 1HB CYS 16 -7.503 -1.114 3.382
142 H ARG 17 HN ARG 17 -7.282 0.960 1.123
143 HA ARG 17 HA ARG 17 -7.453 3.398 2.753
144 HB2 ARG 17 2HB ARG 17 -7.704 3.202 -0.264
145 HB3 ARG 17 1HB ARG 17 -7.807 4.663 0.700
146 HG2 ARG 17 2HG ARG 17 -5.415 4.288 1.350
147 HG3 ARG 17 1HG ARG 17 -5.378 2.977 0.173
148 HD2 ARG 17 2HD ARG 17 -5.970 5.880 -0.394
149 HD3 ARG 17 1HD ARG 17 -4.486 5.024 -0.776
150 HE ARG 17 HE ARG 17 -6.805 3.837 -1.986
151 HH11 ARG 17 1HH1 ARG 17 -4.351 6.366 -2.356
152 HH12 ARG 17 2HH1 ARG 17 -4.566 6.519 -4.033
153 HH21 ARG 17 1HH2 ARG 17 -7.063 4.001 -4.284
154 HH22 ARG 17 2HH2 ARG 17 -6.145 5.123 -5.175
155 H GLY 18 HN GLY 18 -9.354 3.127 3.726
156 HA2 GLY 18 2HA GLY 18 -11.621 2.935 3.956
157 HA3 GLY 18 1HA GLY 18 -11.757 3.001 2.202
Start of MODEL 4
1 H1 LYS 1 HN LYS 1 -12.317 1.471 1.348
2 HA LYS 1 HA LYS 1 -12.430 -1.320 2.111
3 HB2 LYS 1 2HB LYS 1 -13.904 -1.565 0.153
4 HB3 LYS 1 1HB LYS 1 -14.455 -0.356 1.300
5 HG2 LYS 1 2HG LYS 1 -13.964 1.425 -0.120
6 HG3 LYS 1 1HG LYS 1 -12.829 0.473 -1.072
7 HD2 LYS 1 2HD LYS 1 -15.793 -0.061 -1.005
8 HD3 LYS 1 1HD LYS 1 -15.029 0.986 -2.202
9 HE2 LYS 1 2HE LYS 1 -13.591 -0.880 -2.893
10 HE3 LYS 1 1HE LYS 1 -14.379 -1.923 -1.720
11 HZ1 LYS 1 1HZ LYS 1 -15.250 -2.242 -3.922
12 HZ2 LYS 1 2HZ LYS 1 -15.705 -0.625 -4.028
13 HZ3 LYS 1 3HZ LYS 1 -16.451 -1.630 -2.923
14 H TRP 2 HN TRP 2 -10.456 0.610 0.059
15 HA TRP 2 HA TRP 2 -9.983 -1.635 -1.731
16 HB2 TRP 2 2HB TRP 2 -10.416 0.734 -2.592
17 HB3 TRP 2 1HB TRP 2 -8.827 1.135 -1.970
18 HD1 TRP 2 1HD TRP 2 -6.757 -0.472 -3.023
19 HE1 TRP 2 1HE TRP 2 -6.437 -1.251 -5.478
20 HE3 TRP 2 3HE TRP 2 -11.520 0.182 -4.713
21 HZ2 TRP 2 2HZ TRP 2 -7.998 -1.529 -7.793
22 HZ3 TRP 2 3HZ TRP 2 -12.022 -0.360 -7.058
23 HH2 TRP 2 2HH TRP 2 -10.297 -1.197 -8.559
24 H CYS 3 HN CYS 3 -8.314 -2.894 -1.376
25 HA CYS 3 HA CYS 3 -6.055 -1.814 0.142
26 HB2 CYS 3 2HB CYS 3 -7.012 -4.639 -0.192
27 HB3 CYS 3 1HB CYS 3 -5.488 -4.219 0.591
28 H PHE 4 HN PHE 4 -4.193 -1.611 -0.851
29 HA PHE 4 HA PHE 4 -3.756 -3.045 -3.318
30 HB2 PHE 4 2HB PHE 4 -2.978 -0.954 -4.434
31 HB3 PHE 4 1HB PHE 4 -4.692 -0.933 -4.074
32 HD1 PHE 4 1HD PHE 4 -1.666 0.868 -3.893
33 HD2 PHE 4 2HD PHE 4 -5.357 0.330 -1.842
34 HE1 PHE 4 1HE PHE 4 -1.392 3.053 -2.814
35 HE2 PHE 4 2HE PHE 4 -5.076 2.507 -0.765
36 HZ PHE 4 HZ PHE 4 -3.094 3.877 -1.249
37 H ARG 5 HN ARG 5 -1.410 -2.553 -4.029
38 HA ARG 5 HA ARG 5 0.160 -2.988 -1.611
39 HB2 ARG 5 2HB ARG 5 0.109 -4.755 -3.353
40 HB3 ARG 5 1HB ARG 5 0.818 -3.623 -4.486
41 HG2 ARG 5 2HG ARG 5 2.840 -3.505 -3.139
42 HG3 ARG 5 1HG ARG 5 2.122 -4.598 -1.950
43 HD2 ARG 5 2HD ARG 5 2.732 -5.227 -4.839
44 HD3 ARG 5 1HD ARG 5 3.588 -5.846 -3.424
45 HE ARG 5 HE ARG 5 0.946 -6.513 -3.077
46 HH11 ARG 5 1HH1 ARG 5 3.487 -7.303 -5.406
47 HH12 ARG 5 2HH1 ARG 5 2.817 -8.800 -5.852
48 HH21 ARG 5 1HH2 ARG 5 -0.003 -8.559 -3.724
49 HH22 ARG 5 2HH2 ARG 5 0.800 -9.532 -4.869
50 H VAL 6 HN VAL 6 1.616 -1.566 -1.017
51 HA VAL 6 HA VAL 6 2.410 0.535 -2.915
52 HB VAL 6 HB VAL 6 2.182 0.741 0.110
53 HG11 VAL 6 1HG1 VAL 6 2.686 3.118 -0.198
54 HG12 VAL 6 2HG1 VAL 6 2.927 2.843 -1.924
55 HG13 VAL 6 3HG1 VAL 6 4.015 2.099 -0.753
56 HG21 VAL 6 1HG2 VAL 6 0.007 0.738 -0.973
57 HG22 VAL 6 2HG2 VAL 6 0.529 2.039 -2.043
58 HG23 VAL 6 3HG2 VAL 6 0.382 2.325 -0.306
59 H CYS 7 HN CYS 7 4.527 0.614 -3.298
60 HA CYS 7 HA CYS 7 6.255 -0.832 -1.457
61 HB2 CYS 7 2HB CYS 7 6.679 -0.218 -4.395
62 HB3 CYS 7 1HB CYS 7 7.843 -1.025 -3.348
63 H TYR 8 HN TYR 8 7.429 0.288 -0.245
64 HA TYR 8 HA TYR 8 8.122 3.033 -0.990
65 HB2 TYR 8 2HB TYR 8 6.442 3.060 0.756
66 HB3 TYR 8 1HB TYR 8 7.348 1.882 1.689
67 HD1 TYR 8 1HD TYR 8 7.565 5.367 0.362
68 HD2 TYR 8 2HD TYR 8 8.834 2.583 3.314
69 HE1 TYR 8 1HE TYR 8 8.673 7.182 1.594
70 HE2 TYR 8 2HE TYR 8 9.936 4.375 4.550
71 HH TYR 8 HH TYR 8 9.452 7.675 3.884
72 H ARG 9 HN ARG 9 10.130 2.828 -1.651
73 HA ARG 9 HA ARG 9 12.369 2.657 -1.610
74 HB2 ARG 9 2HB ARG 9 12.062 2.377 1.390
75 HB3 ARG 9 1HB ARG 9 13.538 2.813 0.540
76 HG2 ARG 9 2HG ARG 9 12.352 4.866 -0.287
77 HG3 ARG 9 1HG ARG 9 11.012 4.436 0.772
78 HD2 ARG 9 2HD ARG 9 12.372 6.040 1.915
79 HD3 ARG 9 1HD ARG 9 12.606 4.473 2.691
80 HE ARG 9 HE ARG 9 14.517 4.998 0.642
81 HH11 ARG 9 1HH1 ARG 9 13.837 5.580 4.067
82 HH12 ARG 9 2HH1 ARG 9 15.460 5.886 4.459
83 HH21 ARG 9 1HH2 ARG 9 16.716 5.469 1.193
84 HH22 ARG 9 2HH2 ARG 9 17.138 5.836 2.793
85 H GLY 10 HN GLY 10 10.762 0.308 -1.914
86 HA2 GLY 10 2HA GLY 10 11.595 -1.803 -2.607
87 HA3 GLY 10 1HA GLY 10 12.831 -1.700 -1.362
88 H ILE 11 HN ILE 11 10.319 -0.689 0.275
89 HA ILE 11 HA ILE 11 9.702 -3.333 1.345
90 HB ILE 11 HB ILE 11 8.914 -0.600 2.398
91 HG12 ILE 11 2HG1 ILE 11 11.225 -2.295 3.347
92 HG13 ILE 11 1HG1 ILE 11 11.404 -0.979 2.190
93 HG21 ILE 11 1HG2 ILE 11 7.562 -2.450 3.258
94 HG22 ILE 11 2HG2 ILE 11 8.594 -1.795 4.528
95 HG23 ILE 11 3HG2 ILE 11 9.025 -3.311 3.738
96 HD11 ILE 11 1HD1 ILE 11 10.384 -0.740 5.013
97 HD12 ILE 11 2HD1 ILE 11 10.525 0.579 3.850
98 HD13 ILE 11 3HD1 ILE 11 11.976 -0.236 4.431
99 H CYS 12 HN CYS 12 8.012 -4.222 0.311
100 HA CYS 12 HA CYS 12 5.824 -2.482 -0.553
101 HB2 CYS 12 2HB CYS 12 6.345 -5.376 -1.267
102 HB3 CYS 12 1HB CYS 12 5.053 -4.364 -1.901
103 H TYR 13 HN TYR 13 3.915 -2.455 0.438
104 HA TYR 13 HA TYR 13 3.272 -4.656 2.177
105 HB2 TYR 13 2HB TYR 13 2.585 -3.063 3.967
106 HB3 TYR 13 1HB TYR 13 4.318 -3.114 3.693
107 HD1 TYR 13 1HD TYR 13 1.253 -1.062 3.294
108 HD2 TYR 13 2HD TYR 13 5.500 -1.163 2.923
109 HE1 TYR 13 1HE TYR 13 1.297 1.368 3.100
110 HE2 TYR 13 2HE TYR 13 5.541 1.270 2.721
111 HH TYR 13 HH TYR 13 3.976 3.111 2.048
112 H ARG 14 HN ARG 14 1.092 -4.514 2.890
113 HA ARG 14 HA ARG 14 -0.663 -3.806 0.719
114 HB2 ARG 14 2HB ARG 14 -0.956 -5.969 1.694
115 HB3 ARG 14 1HB ARG 14 -0.999 -5.293 3.312
116 HG2 ARG 14 2HG ARG 14 -3.125 -4.153 2.712
117 HG3 ARG 14 1HG ARG 14 -3.094 -5.018 1.172
118 HD2 ARG 14 2HD ARG 14 -3.207 -7.118 2.258
119 HD3 ARG 14 1HD ARG 14 -2.938 -6.385 3.838
120 HE ARG 14 HE ARG 14 -5.261 -5.396 2.532
121 HH11 ARG 14 1HH1 ARG 14 -4.000 -8.016 4.536
122 HH12 ARG 14 2HH1 ARG 14 -5.515 -8.428 5.198
123 HH21 ARG 14 1HH2 ARG 14 -7.359 -5.979 3.435
124 HH22 ARG 14 2HH2 ARG 14 -7.464 -7.250 4.547
125 H LYS 15 HN LYS 15 -1.119 -1.705 0.731
126 HA LYS 15 HA LYS 15 -1.869 -0.460 3.267
127 HB2 LYS 15 2HB LYS 15 -0.286 0.769 1.797
128 HB3 LYS 15 1HB LYS 15 -1.526 0.822 0.556
129 HG2 LYS 15 2HG LYS 15 -1.487 2.952 1.659
130 HG3 LYS 15 1HG LYS 15 -2.964 2.117 2.144
131 HD2 LYS 15 2HD LYS 15 -1.772 1.371 4.215
132 HD3 LYS 15 1HD LYS 15 -0.414 2.370 3.733
133 HE2 LYS 15 2HE LYS 15 -1.755 3.557 5.351
134 HE3 LYS 15 1HE LYS 15 -1.870 4.355 3.786
135 HZ1 LYS 15 1HZ LYS 15 -3.911 2.514 4.940
136 HZ2 LYS 15 2HZ LYS 15 -4.030 3.323 3.454
137 HZ3 LYS 15 3HZ LYS 15 -4.013 4.196 4.876
138 H CYS 16 HN CYS 16 -3.904 -0.140 3.729
139 HA CYS 16 HA CYS 16 -5.866 -0.580 1.616
140 HB2 CYS 16 2HB CYS 16 -6.144 -1.055 4.591
141 HB3 CYS 16 1HB CYS 16 -7.460 -1.190 3.429
142 H ARG 17 HN ARG 17 -7.026 1.001 1.011
143 HA ARG 17 HA ARG 17 -7.233 3.401 2.675
144 HB2 ARG 17 2HB ARG 17 -6.107 3.787 0.518
145 HB3 ARG 17 1HB ARG 17 -7.438 3.018 -0.329
146 HG2 ARG 17 2HG ARG 17 -8.919 4.830 0.393
147 HG3 ARG 17 1HG ARG 17 -7.561 5.610 1.204
148 HD2 ARG 17 2HD ARG 17 -7.685 4.974 -1.739
149 HD3 ARG 17 1HD ARG 17 -8.045 6.549 -1.041
150 HE ARG 17 HE ARG 17 -5.694 6.419 -0.154
151 HH11 ARG 17 1HH1 ARG 17 -6.586 4.834 -3.194
152 HH12 ARG 17 2HH1 ARG 17 -5.095 5.105 -3.956
153 HH21 ARG 17 1HH2 ARG 17 -3.614 6.823 -1.220
154 HH22 ARG 17 2HH2 ARG 17 -3.377 6.293 -2.809
155 H GLY 18 HN GLY 18 -8.984 2.714 3.839
156 HA2 GLY 18 2HA GLY 18 -11.178 2.369 4.305
157 HA3 GLY 18 1HA GLY 18 -11.526 2.901 2.661
Start of MODEL 5
1 H1 LYS 1 HN LYS 1 -11.999 0.886 0.883
2 HA LYS 1 HA LYS 1 -12.078 -1.611 2.450
3 HB2 LYS 1 2HB LYS 1 -13.772 -2.485 0.922
4 HB3 LYS 1 1HB LYS 1 -14.363 -1.039 1.730
5 HG2 LYS 1 2HG LYS 1 -13.987 0.286 -0.235
6 HG3 LYS 1 1HG LYS 1 -13.188 -1.062 -1.043
7 HD2 LYS 1 2HD LYS 1 -15.303 -2.314 -0.988
8 HD3 LYS 1 1HD LYS 1 -16.083 -0.931 -0.212
9 HE2 LYS 1 2HE LYS 1 -15.594 0.454 -2.131
10 HE3 LYS 1 1HE LYS 1 -14.740 -0.872 -2.912
11 HZ1 LYS 1 1HZ LYS 1 -16.814 -2.099 -2.986
12 HZ2 LYS 1 2HZ LYS 1 -16.972 -0.619 -3.767
13 HZ3 LYS 1 3HZ LYS 1 -17.623 -0.825 -2.225
14 H TRP 2 HN TRP 2 -10.393 0.166 0.218
15 HA TRP 2 HA TRP 2 -9.944 -2.097 -1.553
16 HB2 TRP 2 2HB TRP 2 -10.693 0.240 -2.367
17 HB3 TRP 2 1HB TRP 2 -9.038 0.726 -2.016
18 HD1 TRP 2 1HD TRP 2 -7.118 -0.752 -3.386
19 HE1 TRP 2 1HE TRP 2 -7.211 -1.616 -5.846
20 HE3 TRP 2 3HE TRP 2 -12.144 -0.523 -4.109
21 HZ2 TRP 2 2HZ TRP 2 -9.196 -2.116 -7.792
22 HZ3 TRP 2 3HZ TRP 2 -13.070 -1.204 -6.281
23 HH2 TRP 2 2HH TRP 2 -11.625 -1.980 -8.075
24 H CYS 3 HN CYS 3 -8.071 -3.098 -1.437
25 HA CYS 3 HA CYS 3 -5.915 -1.860 0.100
26 HB2 CYS 3 2HB CYS 3 -6.564 -4.758 -0.378
27 HB3 CYS 3 1HB CYS 3 -5.099 -4.200 0.424
28 H PHE 4 HN PHE 4 -4.108 -1.417 -0.872
29 HA PHE 4 HA PHE 4 -3.524 -2.624 -3.452
30 HB2 PHE 4 2HB PHE 4 -2.691 -0.266 -4.131
31 HB3 PHE 4 1HB PHE 4 -4.421 -0.570 -4.171
32 HD1 PHE 4 1HD PHE 4 -5.912 0.671 -2.808
33 HD2 PHE 4 2HD PHE 4 -1.715 1.064 -2.240
34 HE1 PHE 4 1HE PHE 4 -6.304 2.587 -1.347
35 HE2 PHE 4 2HE PHE 4 -2.108 2.994 -0.764
36 HZ PHE 4 HZ PHE 4 -4.405 3.755 -0.319
37 H ARG 5 HN ARG 5 -1.242 -2.310 -4.059
38 HA ARG 5 HA ARG 5 0.386 -2.727 -1.687
39 HB2 ARG 5 2HB ARG 5 0.500 -4.421 -3.450
40 HB3 ARG 5 1HB ARG 5 1.003 -3.200 -4.608
41 HG2 ARG 5 2HG ARG 5 3.048 -2.819 -3.293
42 HG3 ARG 5 1HG ARG 5 2.549 -4.089 -2.178
43 HD2 ARG 5 2HD ARG 5 4.140 -5.002 -3.740
44 HD3 ARG 5 1HD ARG 5 2.549 -5.679 -4.079
45 HE ARG 5 HE ARG 5 3.193 -3.362 -5.642
46 HH11 ARG 5 1HH1 ARG 5 3.477 -6.879 -5.450
47 HH12 ARG 5 2HH1 ARG 5 3.629 -7.099 -7.125
48 HH21 ARG 5 1HH2 ARG 5 3.467 -3.663 -7.953
49 HH22 ARG 5 2HH2 ARG 5 3.600 -5.212 -8.597
50 H VAL 6 HN VAL 6 1.703 -1.234 -0.957
51 HA VAL 6 HA VAL 6 2.526 0.908 -2.779
52 HB VAL 6 HB VAL 6 2.392 1.033 0.253
53 HG11 VAL 6 1HG1 VAL 6 2.840 3.188 -1.805
54 HG12 VAL 6 2HG1 VAL 6 4.050 2.511 -0.717
55 HG13 VAL 6 3HG1 VAL 6 2.702 3.443 -0.065
56 HG21 VAL 6 1HG2 VAL 6 0.471 2.236 -1.742
57 HG22 VAL 6 2HG2 VAL 6 0.440 2.482 0.005
58 HG23 VAL 6 3HG2 VAL 6 0.132 0.885 -0.663
59 H CYS 7 HN CYS 7 4.629 0.805 -3.242
60 HA CYS 7 HA CYS 7 6.342 -0.696 -1.415
61 HB2 CYS 7 2HB CYS 7 6.675 -0.178 -4.374
62 HB3 CYS 7 1HB CYS 7 7.843 -1.014 -3.357
63 H TYR 8 HN TYR 8 7.634 0.394 -0.273
64 HA TYR 8 HA TYR 8 8.650 2.973 -1.246
65 HB2 TYR 8 2HB TYR 8 6.999 3.278 0.560
66 HB3 TYR 8 1HB TYR 8 7.879 2.138 1.563
67 HD1 TYR 8 1HD TYR 8 9.868 2.819 2.749
68 HD2 TYR 8 2HD TYR 8 7.895 5.538 0.145
69 HE1 TYR 8 1HE TYR 8 11.122 4.653 3.735
70 HE2 TYR 8 2HE TYR 8 9.165 7.389 1.111
71 HH TYR 8 HH TYR 8 10.332 7.890 3.217
72 H ARG 9 HN ARG 9 10.700 2.569 -1.759
73 HA ARG 9 HA ARG 9 12.890 1.973 -1.633
74 HB2 ARG 9 2HB ARG 9 12.260 1.592 1.294
75 HB3 ARG 9 1HB ARG 9 13.876 1.525 0.617
76 HG2 ARG 9 2HG ARG 9 13.590 3.878 -0.140
77 HG3 ARG 9 1HG ARG 9 12.028 3.884 0.657
78 HD2 ARG 9 2HD ARG 9 13.833 4.869 2.040
79 HD3 ARG 9 1HD ARG 9 13.008 3.511 2.798
80 HE ARG 9 HE ARG 9 15.201 2.468 1.489
81 HH11 ARG 9 1HH1 ARG 9 14.733 4.876 4.044
82 HH12 ARG 9 2HH1 ARG 9 16.116 4.403 4.917
83 HH21 ARG 9 1HH2 ARG 9 17.101 1.840 2.692
84 HH22 ARG 9 2HH2 ARG 9 17.485 2.647 4.139
85 H GLY 10 HN GLY 10 10.797 -0.022 -2.107
86 HA2 GLY 10 2HA GLY 10 11.104 -2.258 -2.830
87 HA3 GLY 10 1HA GLY 10 12.472 -2.386 -1.725
88 H ILE 11 HN ILE 11 10.509 -0.983 0.213
89 HA ILE 11 HA ILE 11 9.599 -3.415 1.469
90 HB ILE 11 HB ILE 11 9.231 -0.516 2.310
91 HG12 ILE 11 2HG1 ILE 11 11.399 -2.404 3.231
92 HG13 ILE 11 1HG1 ILE 11 11.629 -1.207 1.961
93 HG21 ILE 11 1HG2 ILE 11 7.748 -2.060 3.459
94 HG22 ILE 11 2HG2 ILE 11 8.985 -1.467 4.570
95 HG23 ILE 11 3HG2 ILE 11 9.116 -3.088 3.888
96 HD11 ILE 11 1HD1 ILE 11 12.478 -0.405 4.087
97 HD12 ILE 11 2HD1 ILE 11 10.893 -0.648 4.828
98 HD13 ILE 11 3HD1 ILE 11 11.102 0.566 3.564
99 H CYS 12 HN CYS 12 7.864 -4.166 0.384
100 HA CYS 12 HA CYS 12 5.803 -2.289 -0.443
101 HB2 CYS 12 2HB CYS 12 6.122 -5.219 -1.093
102 HB3 CYS 12 1HB CYS 12 4.892 -4.132 -1.729
103 H TYR 13 HN TYR 13 4.053 -2.036 0.663
104 HA TYR 13 HA TYR 13 3.245 -4.171 2.435
105 HB2 TYR 13 2HB TYR 13 2.544 -2.429 4.096
106 HB3 TYR 13 1HB TYR 13 4.280 -2.524 3.865
107 HD1 TYR 13 1HD TYR 13 1.304 -0.448 3.539
108 HD2 TYR 13 2HD TYR 13 5.472 -0.674 2.711
109 HE1 TYR 13 1HE TYR 13 1.359 1.977 3.175
110 HE2 TYR 13 2HE TYR 13 5.543 1.740 2.344
111 HH TYR 13 HH TYR 13 3.941 3.558 1.699
112 H ARG 14 HN ARG 14 1.048 -4.319 2.710
113 HA ARG 14 HA ARG 14 -0.431 -3.257 0.464
114 HB2 ARG 14 2HB ARG 14 -0.617 -5.646 0.967
115 HB3 ARG 14 1HB ARG 14 -1.242 -5.271 2.566
116 HG2 ARG 14 2HG ARG 14 -3.200 -4.236 1.568
117 HG3 ARG 14 1HG ARG 14 -2.574 -4.584 -0.045
118 HD2 ARG 14 2HD ARG 14 -4.209 -6.259 0.556
119 HD3 ARG 14 1HD ARG 14 -2.600 -6.978 0.505
120 HE ARG 14 HE ARG 14 -3.061 -6.199 3.114
121 HH11 ARG 14 1HH1 ARG 14 -4.365 -8.551 0.817
122 HH12 ARG 14 2HH1 ARG 14 -4.942 -9.624 2.013
123 HH21 ARG 14 1HH2 ARG 14 -3.829 -7.683 4.759
124 HH22 ARG 14 2HH2 ARG 14 -4.617 -9.111 4.313
125 H LYS 15 HN LYS 15 -0.949 -1.284 0.827
126 HA LYS 15 HA LYS 15 -1.954 -0.386 3.393
127 HB2 LYS 15 2HB LYS 15 -0.408 1.036 2.103
128 HB3 LYS 15 1HB LYS 15 -1.553 1.058 0.773
129 HG2 LYS 15 2HG LYS 15 -1.651 3.141 1.976
130 HG3 LYS 15 1HG LYS 15 -3.158 2.253 2.196
131 HD2 LYS 15 2HD LYS 15 -2.413 1.508 4.394
132 HD3 LYS 15 1HD LYS 15 -0.876 2.349 4.170
133 HE2 LYS 15 2HE LYS 15 -2.354 3.687 5.542
134 HE3 LYS 15 1HE LYS 15 -2.085 4.469 3.991
135 HZ1 LYS 15 1HZ LYS 15 -4.250 3.643 3.241
136 HZ2 LYS 15 2HZ LYS 15 -4.391 4.601 4.579
137 HZ3 LYS 15 3HZ LYS 15 -4.540 2.937 4.750
138 H CYS 16 HN CYS 16 -4.061 -0.094 3.783
139 HA CYS 16 HA CYS 16 -5.899 -0.521 1.550
140 HB2 CYS 16 2HB CYS 16 -6.317 -1.215 4.465
141 HB3 CYS 16 1HB CYS 16 -7.466 -1.476 3.157
142 H ARG 17 HN ARG 17 -7.434 0.929 1.230
143 HA ARG 17 HA ARG 17 -7.809 3.029 3.233
144 HB2 ARG 17 2HB ARG 17 -6.350 3.741 1.281
145 HB3 ARG 17 1HB ARG 17 -7.741 3.475 0.250
146 HG2 ARG 17 2HG ARG 17 -9.011 5.152 1.451
147 HG3 ARG 17 1HG ARG 17 -7.659 5.418 2.545
148 HD2 ARG 17 2HD ARG 17 -6.287 6.106 0.588
149 HD3 ARG 17 1HD ARG 17 -7.728 5.937 -0.414
150 HE ARG 17 HE ARG 17 -8.383 7.575 1.703
151 HH11 ARG 17 1HH1 ARG 17 -6.207 7.715 -1.101
152 HH12 ARG 17 2HH1 ARG 17 -6.275 9.406 -1.232
153 HH21 ARG 17 1HH2 ARG 17 -8.453 9.903 1.518
154 HH22 ARG 17 2HH2 ARG 17 -7.561 10.654 0.273
155 H GLY 18 HN GLY 18 -9.851 2.834 3.864
156 HA2 GLY 18 2HA GLY 18 -12.145 2.781 3.713
157 HA3 GLY 18 1HA GLY 18 -12.001 2.771 1.956
Start of MODEL 6
1 H1 LYS 1 HN LYS 1 -12.014 1.164 1.548
2 HA LYS 1 HA LYS 1 -11.618 -1.425 2.911
3 HB2 LYS 1 2HB LYS 1 -13.662 -0.639 0.846
4 HB3 LYS 1 1HB LYS 1 -13.554 -2.191 1.655
5 HG2 LYS 1 2HG LYS 1 -14.084 -1.151 3.774
6 HG3 LYS 1 1HG LYS 1 -14.126 0.435 3.000
7 HD2 LYS 1 2HD LYS 1 -15.929 -0.334 1.542
8 HD3 LYS 1 1HD LYS 1 -15.898 -1.900 2.345
9 HE2 LYS 1 2HE LYS 1 -16.475 -0.824 4.454
10 HE3 LYS 1 1HE LYS 1 -16.521 0.741 3.640
11 HZ1 LYS 1 1HZ LYS 1 -18.744 -0.184 3.843
12 HZ2 LYS 1 2HZ LYS 1 -18.263 -1.581 3.039
13 HZ3 LYS 1 3HZ LYS 1 -18.285 -0.100 2.229
14 H TRP 2 HN TRP 2 -10.257 0.389 0.578
15 HA TRP 2 HA TRP 2 -10.063 -1.773 -1.395
16 HB2 TRP 2 2HB TRP 2 -10.794 0.608 -2.024
17 HB3 TRP 2 1HB TRP 2 -9.133 1.077 -1.700
18 HD1 TRP 2 1HD TRP 2 -7.281 -0.546 -3.229
19 HE1 TRP 2 1HE TRP 2 -7.457 -1.054 -5.761
20 HE3 TRP 2 3HE TRP 2 -12.250 0.401 -3.907
21 HZ2 TRP 2 2HZ TRP 2 -9.432 -1.032 -7.764
22 HZ3 TRP 2 3HZ TRP 2 -13.207 0.141 -6.160
23 HH2 TRP 2 2HH TRP 2 -11.822 -0.558 -8.045
24 H CYS 3 HN CYS 3 -8.254 -2.968 -1.248
25 HA CYS 3 HA CYS 3 -5.912 -1.763 0.029
26 HB2 CYS 3 2HB CYS 3 -6.673 -4.637 -0.332
27 HB3 CYS 3 1HB CYS 3 -5.244 -4.065 0.520
28 H PHE 4 HN PHE 4 -4.012 -1.675 -1.005
29 HA PHE 4 HA PHE 4 -3.603 -3.130 -3.462
30 HB2 PHE 4 2HB PHE 4 -2.960 -1.042 -4.705
31 HB3 PHE 4 1HB PHE 4 -4.671 -1.139 -4.335
32 HD1 PHE 4 1HD PHE 4 -5.569 0.249 -2.411
33 HD2 PHE 4 2HD PHE 4 -1.660 0.790 -4.005
34 HE1 PHE 4 1HE PHE 4 -5.481 2.482 -1.414
35 HE2 PHE 4 2HE PHE 4 -1.569 3.031 -2.994
36 HZ PHE 4 HZ PHE 4 -3.473 3.876 -1.697
37 H ARG 5 HN ARG 5 -1.372 -3.076 -4.140
38 HA ARG 5 HA ARG 5 0.366 -3.092 -1.832
39 HB2 ARG 5 2HB ARG 5 0.488 -4.971 -3.343
40 HB3 ARG 5 1HB ARG 5 0.813 -3.909 -4.700
41 HG2 ARG 5 2HG ARG 5 2.977 -3.323 -3.735
42 HG3 ARG 5 1HG ARG 5 2.649 -4.376 -2.357
43 HD2 ARG 5 2HD ARG 5 2.564 -6.310 -3.795
44 HD3 ARG 5 1HD ARG 5 2.696 -5.271 -5.215
45 HE ARG 5 HE ARG 5 4.928 -4.641 -4.226
46 HH11 ARG 5 1HH1 ARG 5 3.544 -7.893 -3.778
47 HH12 ARG 5 2HH1 ARG 5 5.044 -8.678 -3.768
48 HH21 ARG 5 1HH2 ARG 5 7.023 -5.787 -4.217
49 HH22 ARG 5 2HH2 ARG 5 7.046 -7.465 -4.005
50 H VAL 6 HN VAL 6 1.628 -1.553 -1.261
51 HA VAL 6 HA VAL 6 2.404 0.545 -3.175
52 HB VAL 6 HB VAL 6 2.263 0.730 -0.146
53 HG11 VAL 6 1HG1 VAL 6 2.657 2.880 -2.224
54 HG12 VAL 6 2HG1 VAL 6 3.882 2.246 -1.127
55 HG13 VAL 6 3HG1 VAL 6 2.507 3.144 -0.486
56 HG21 VAL 6 1HG2 VAL 6 0.007 0.498 -1.024
57 HG22 VAL 6 2HG2 VAL 6 0.297 1.806 -2.170
58 HG23 VAL 6 3HG2 VAL 6 0.269 2.137 -0.438
59 H CYS 7 HN CYS 7 4.545 0.552 -3.590
60 HA CYS 7 HA CYS 7 6.294 -0.803 -1.687
61 HB2 CYS 7 2HB CYS 7 6.595 -0.395 -4.667
62 HB3 CYS 7 1HB CYS 7 7.878 -1.003 -3.626
63 H TYR 8 HN TYR 8 7.466 0.410 -0.546
64 HA TYR 8 HA TYR 8 8.333 3.021 -1.564
65 HB2 TYR 8 2HB TYR 8 6.379 3.261 -0.081
66 HB3 TYR 8 1HB TYR 8 7.241 2.386 1.175
67 HD1 TYR 8 1HD TYR 8 9.047 3.522 2.435
68 HD2 TYR 8 2HD TYR 8 6.931 5.547 -0.646
69 HE1 TYR 8 1HE TYR 8 9.926 5.638 3.239
70 HE2 TYR 8 2HE TYR 8 7.821 7.683 0.139
71 HH TYR 8 HH TYR 8 8.728 8.633 2.270
72 H ARG 9 HN ARG 9 10.489 2.728 -1.734
73 HA ARG 9 HA ARG 9 12.681 2.394 -1.167
74 HB2 ARG 9 2HB ARG 9 11.563 2.435 1.639
75 HB3 ARG 9 1HB ARG 9 13.276 2.395 1.261
76 HG2 ARG 9 2HG ARG 9 13.063 4.554 0.120
77 HG3 ARG 9 1HG ARG 9 11.346 4.569 0.503
78 HD2 ARG 9 2HD ARG 9 12.730 5.930 2.057
79 HD3 ARG 9 1HD ARG 9 11.785 4.669 2.848
80 HE ARG 9 HE ARG 9 14.128 3.452 2.474
81 HH11 ARG 9 1HH1 ARG 9 13.435 6.651 3.777
82 HH12 ARG 9 2HH1 ARG 9 14.697 6.638 4.905
83 HH21 ARG 9 1HH2 ARG 9 15.884 3.409 4.021
84 HH22 ARG 9 2HH2 ARG 9 16.137 4.751 5.028
85 H GLY 10 HN GLY 10 10.894 0.100 -1.614
86 HA2 GLY 10 2HA GLY 10 11.644 -2.144 -1.909
87 HA3 GLY 10 1HA GLY 10 12.661 -1.945 -0.482
88 H ILE 11 HN ILE 11 10.174 -0.547 0.675
89 HA ILE 11 HA ILE 11 9.188 -2.909 2.006
90 HB ILE 11 HB ILE 11 8.348 -0.017 2.376
91 HG12 ILE 11 2HG1 ILE 11 10.404 -1.540 3.971
92 HG13 ILE 11 1HG1 ILE 11 10.818 -0.421 2.678
93 HG21 ILE 11 1HG2 ILE 11 6.812 -1.695 3.313
94 HG22 ILE 11 2HG2 ILE 11 7.617 -0.784 4.589
95 HG23 ILE 11 3HG2 ILE 11 8.152 -2.419 4.202
96 HD11 ILE 11 1HD1 ILE 11 9.777 1.400 3.938
97 HD12 ILE 11 2HD1 ILE 11 11.033 0.600 4.885
98 HD13 ILE 11 3HD1 ILE 11 9.333 0.263 5.213
99 H CYS 12 HN CYS 12 7.825 -3.976 0.704
100 HA CYS 12 HA CYS 12 5.738 -2.416 -0.586
101 HB2 CYS 12 2HB CYS 12 6.560 -5.284 -1.075
102 HB3 CYS 12 1HB CYS 12 5.234 -4.430 -1.864
103 H TYR 13 HN TYR 13 3.976 -2.252 0.495
104 HA TYR 13 HA TYR 13 3.071 -4.522 2.085
105 HB2 TYR 13 2HB TYR 13 2.254 -2.920 3.810
106 HB3 TYR 13 1HB TYR 13 4.002 -2.915 3.660
107 HD1 TYR 13 1HD TYR 13 1.001 -0.930 3.572
108 HD2 TYR 13 2HD TYR 13 5.087 -0.975 2.380
109 HE1 TYR 13 1HE TYR 13 0.958 1.502 3.322
110 HE2 TYR 13 2HE TYR 13 5.047 1.449 2.122
111 HH TYR 13 HH TYR 13 3.440 3.252 1.771
112 H ARG 14 HN ARG 14 0.788 -4.591 2.319
113 HA ARG 14 HA ARG 14 -0.510 -3.351 0.041
114 HB2 ARG 14 2HB ARG 14 -0.809 -5.794 0.328
115 HB3 ARG 14 1HB ARG 14 -1.504 -5.507 1.912
116 HG2 ARG 14 2HG ARG 14 -3.346 -4.318 0.926
117 HG3 ARG 14 1HG ARG 14 -2.670 -4.549 -0.687
118 HD2 ARG 14 2HD ARG 14 -3.427 -6.801 1.169
119 HD3 ARG 14 1HD ARG 14 -4.512 -6.155 -0.061
120 HE ARG 14 HE ARG 14 -2.118 -6.876 -1.302
121 HH11 ARG 14 1HH1 ARG 14 -4.783 -8.502 0.407
122 HH12 ARG 14 2HH1 ARG 14 -4.666 -9.940 -0.492
123 HH21 ARG 14 1HH2 ARG 14 -1.964 -8.895 -2.538
124 HH22 ARG 14 2HH2 ARG 14 -3.038 -10.166 -2.175
125 H LYS 15 HN LYS 15 -0.988 -1.388 0.545
126 HA LYS 15 HA LYS 15 -1.936 -0.668 3.160
127 HB2 LYS 15 2HB LYS 15 -0.426 0.853 1.975
128 HB3 LYS 15 1HB LYS 15 -1.555 0.964 0.645
129 HG2 LYS 15 2HG LYS 15 -1.619 2.965 2.053
130 HG3 LYS 15 1HG LYS 15 -3.165 2.120 2.057
131 HD2 LYS 15 2HD LYS 15 -2.587 1.101 4.225
132 HD3 LYS 15 1HD LYS 15 -1.054 1.975 4.221
133 HE2 LYS 15 2HE LYS 15 -3.786 3.258 4.158
134 HE3 LYS 15 1HE LYS 15 -2.805 3.055 5.606
135 HZ1 LYS 15 1HZ LYS 15 -1.142 4.468 4.684
136 HZ2 LYS 15 2HZ LYS 15 -2.627 5.276 4.581
137 HZ3 LYS 15 3HZ LYS 15 -1.943 4.587 3.214
138 H CYS 16 HN CYS 16 -3.966 -0.318 3.678
139 HA CYS 16 HA CYS 16 -5.964 -0.654 1.590
140 HB2 CYS 16 2HB CYS 16 -6.156 -1.157 4.561
141 HB3 CYS 16 1HB CYS 16 -7.480 -1.341 3.416
142 H ARG 17 HN ARG 17 -6.907 1.039 0.979
143 HA ARG 17 HA ARG 17 -7.095 3.390 2.716
144 HB2 ARG 17 2HB ARG 17 -5.989 3.694 0.525
145 HB3 ARG 17 1HB ARG 17 -7.404 3.038 -0.276
146 HG2 ARG 17 2HG ARG 17 -8.718 4.951 0.486
147 HG3 ARG 17 1HG ARG 17 -7.282 5.615 1.277
148 HD2 ARG 17 2HD ARG 17 -6.130 5.689 -0.873
149 HD3 ARG 17 1HD ARG 17 -7.546 4.999 -1.650
150 HE ARG 17 HE ARG 17 -8.310 7.325 -0.317
151 HH11 ARG 17 1HH1 ARG 17 -6.432 6.319 -3.154
152 HH12 ARG 17 2HH1 ARG 17 -6.615 7.795 -3.970
153 HH21 ARG 17 1HH2 ARG 17 -8.614 9.318 -1.468
154 HH22 ARG 17 2HH2 ARG 17 -7.928 9.549 -3.010
155 H GLY 18 HN GLY 18 -8.924 3.108 3.849
156 HA2 GLY 18 2HA GLY 18 -11.152 2.861 4.283
157 HA3 GLY 18 1HA GLY 18 -11.449 2.944 2.546
Start of MODEL 7
1 H1 LYS 1 HN LYS 1 -11.520 1.526 1.005
2 HA LYS 1 HA LYS 1 -11.308 -1.055 2.355
3 HB2 LYS 1 2HB LYS 1 -13.196 -1.919 1.019
4 HB3 LYS 1 1HB LYS 1 -13.688 -0.614 2.081
5 HG2 LYS 1 2HG LYS 1 -13.711 0.926 0.193
6 HG3 LYS 1 1HG LYS 1 -13.165 -0.370 -0.874
7 HD2 LYS 1 2HD LYS 1 -15.201 -1.636 -0.378
8 HD3 LYS 1 1HD LYS 1 -15.745 -0.350 0.698
9 HE2 LYS 1 2HE LYS 1 -16.853 -0.178 -1.456
10 HE3 LYS 1 1HE LYS 1 -15.790 1.203 -1.206
11 HZ1 LYS 1 1HZ LYS 1 -15.602 0.359 -3.437
12 HZ2 LYS 1 2HZ LYS 1 -15.210 -1.183 -2.876
13 HZ3 LYS 1 3HZ LYS 1 -14.145 0.100 -2.628
14 H TRP 2 HN TRP 2 -10.041 0.916 0.097
15 HA TRP 2 HA TRP 2 -9.590 -1.006 -2.007
16 HB2 TRP 2 2HB TRP 2 -9.810 1.515 -2.378
17 HB3 TRP 2 1HB TRP 2 -8.252 1.682 -1.590
18 HD1 TRP 2 1HD TRP 2 -6.333 -0.152 -2.956
19 HE1 TRP 2 1HE TRP 2 -5.879 -0.147 -5.515
20 HE3 TRP 2 3HE TRP 2 -10.606 2.145 -4.531
21 HZ2 TRP 2 2HZ TRP 2 -7.153 0.760 -7.842
22 HZ3 TRP 2 3HZ TRP 2 -10.909 2.556 -6.934
23 HH2 TRP 2 2HH TRP 2 -9.218 1.880 -8.547
24 H CYS 3 HN CYS 3 -8.163 -2.564 -1.605
25 HA CYS 3 HA CYS 3 -5.784 -1.924 -0.001
26 HB2 CYS 3 2HB CYS 3 -6.980 -4.600 -0.707
27 HB3 CYS 3 1HB CYS 3 -5.558 -4.343 0.292
28 H PHE 4 HN PHE 4 -3.875 -1.874 -1.009
29 HA PHE 4 HA PHE 4 -3.547 -3.394 -3.420
30 HB2 PHE 4 2HB PHE 4 -2.824 -1.529 -4.798
31 HB3 PHE 4 1HB PHE 4 -4.465 -1.259 -4.250
32 HD1 PHE 4 1HD PHE 4 -1.356 0.203 -4.752
33 HD2 PHE 4 2HD PHE 4 -4.607 0.249 -2.009
34 HE1 PHE 4 1HE PHE 4 -0.703 2.462 -4.008
35 HE2 PHE 4 2HE PHE 4 -3.956 2.497 -1.268
36 HZ PHE 4 HZ PHE 4 -2.002 3.603 -2.272
37 H ARG 5 HN ARG 5 -1.305 -3.285 -4.176
38 HA ARG 5 HA ARG 5 0.454 -3.513 -1.937
39 HB2 ARG 5 2HB ARG 5 0.630 -5.157 -3.699
40 HB3 ARG 5 1HB ARG 5 0.850 -3.902 -4.903
41 HG2 ARG 5 2HG ARG 5 3.003 -3.317 -3.896
42 HG3 ARG 5 1HG ARG 5 2.784 -4.599 -2.706
43 HD2 ARG 5 2HD ARG 5 2.809 -6.276 -4.415
44 HD3 ARG 5 1HD ARG 5 2.771 -5.031 -5.667
45 HE ARG 5 HE ARG 5 5.005 -4.478 -4.227
46 HH11 ARG 5 1HH1 ARG 5 3.905 -7.372 -5.980
47 HH12 ARG 5 2HH1 ARG 5 5.461 -7.840 -6.449
48 HH21 ARG 5 1HH2 ARG 5 7.143 -5.132 -4.886
49 HH22 ARG 5 2HH2 ARG 5 7.349 -6.537 -5.817
50 H VAL 6 HN VAL 6 1.626 -1.975 -1.193
51 HA VAL 6 HA VAL 6 2.244 0.344 -2.886
52 HB VAL 6 HB VAL 6 2.122 0.258 0.138
53 HG11 VAL 6 1HG1 VAL 6 2.157 2.689 -0.006
54 HG12 VAL 6 2HG1 VAL 6 2.259 2.586 -1.761
55 HG13 VAL 6 3HG1 VAL 6 3.581 1.976 -0.765
56 HG21 VAL 6 1HG2 VAL 6 0.041 1.291 -1.779
57 HG22 VAL 6 2HG2 VAL 6 0.029 1.531 -0.034
58 HG23 VAL 6 3HG2 VAL 6 -0.120 -0.098 -0.701
59 H CYS 7 HN CYS 7 4.358 0.374 -3.394
60 HA CYS 7 HA CYS 7 6.174 -0.853 -1.473
61 HB2 CYS 7 2HB CYS 7 6.550 -0.396 -4.443
62 HB3 CYS 7 1HB CYS 7 7.774 -1.056 -3.362
63 H TYR 8 HN TYR 8 7.270 0.414 -0.335
64 HA TYR 8 HA TYR 8 7.881 3.147 -1.247
65 HB2 TYR 8 2HB TYR 8 6.042 3.062 0.419
66 HB3 TYR 8 1HB TYR 8 7.080 2.142 1.490
67 HD1 TYR 8 1HD TYR 8 8.678 3.231 2.886
68 HD2 TYR 8 2HD TYR 8 6.526 5.446 -0.026
69 HE1 TYR 8 1HE TYR 8 9.415 5.288 3.929
70 HE2 TYR 8 2HE TYR 8 7.260 7.534 1.001
71 HH TYR 8 HH TYR 8 8.057 8.333 3.156
72 H ARG 9 HN ARG 9 10.050 3.191 -1.492
73 HA ARG 9 HA ARG 9 12.299 2.909 -1.165
74 HB2 ARG 9 2HB ARG 9 11.467 2.093 1.634
75 HB3 ARG 9 1HB ARG 9 13.121 2.374 1.133
76 HG2 ARG 9 2HG ARG 9 12.603 4.728 0.737
77 HG3 ARG 9 1HG ARG 9 10.924 4.430 1.185
78 HD2 ARG 9 2HD ARG 9 12.224 5.384 3.055
79 HD3 ARG 9 1HD ARG 9 11.578 3.787 3.419
80 HE ARG 9 HE ARG 9 14.254 3.755 2.377
81 HH11 ARG 9 1HH1 ARG 9 12.311 3.933 5.350
82 HH12 ARG 9 2HH1 ARG 9 13.577 3.450 6.368
83 HH21 ARG 9 1HH2 ARG 9 15.998 3.035 3.809
84 HH22 ARG 9 2HH2 ARG 9 15.700 2.935 5.475
85 H GLY 10 HN GLY 10 10.446 0.660 -1.921
86 HA2 GLY 10 2HA GLY 10 11.017 -1.477 -2.755
87 HA3 GLY 10 1HA GLY 10 12.386 -1.494 -1.645
88 H ILE 11 HN ILE 11 10.155 -0.448 0.305
89 HA ILE 11 HA ILE 11 9.630 -3.054 1.444
90 HB ILE 11 HB ILE 11 8.737 -0.326 2.432
91 HG12 ILE 11 2HG1 ILE 11 11.240 -1.781 3.291
92 HG13 ILE 11 1HG1 ILE 11 11.247 -0.541 2.043
93 HG21 ILE 11 1HG2 ILE 11 9.183 -2.963 3.841
94 HG22 ILE 11 2HG2 ILE 11 7.621 -2.240 3.456
95 HG23 ILE 11 3HG2 ILE 11 8.693 -1.459 4.620
96 HD11 ILE 11 1HD1 ILE 11 10.399 -0.169 4.921
97 HD12 ILE 11 2HD1 ILE 11 10.401 1.091 3.686
98 HD13 ILE 11 3HD1 ILE 11 11.920 0.371 4.211
99 H CYS 12 HN CYS 12 7.915 -4.062 0.608
100 HA CYS 12 HA CYS 12 5.699 -2.445 -0.377
101 HB2 CYS 12 2HB CYS 12 6.318 -5.351 -0.940
102 HB3 CYS 12 1HB CYS 12 5.035 -4.397 -1.671
103 H TYR 13 HN TYR 13 3.791 -2.487 0.540
104 HA TYR 13 HA TYR 13 3.150 -4.583 2.410
105 HB2 TYR 13 2HB TYR 13 2.396 -2.867 4.083
106 HB3 TYR 13 1HB TYR 13 4.136 -2.913 3.864
107 HD1 TYR 13 1HD TYR 13 5.258 -1.047 2.620
108 HD2 TYR 13 2HD TYR 13 1.127 -0.898 3.620
109 HE1 TYR 13 1HE TYR 13 5.269 1.360 2.250
110 HE2 TYR 13 2HE TYR 13 1.127 1.530 3.246
111 HH TYR 13 HH TYR 13 3.633 3.175 1.691
112 H ARG 14 HN ARG 14 0.941 -4.797 2.694
113 HA ARG 14 HA ARG 14 -0.631 -3.731 0.524
114 HB2 ARG 14 2HB ARG 14 -0.855 -6.108 1.056
115 HB3 ARG 14 1HB ARG 14 -1.279 -5.712 2.709
116 HG2 ARG 14 2HG ARG 14 -3.363 -4.746 2.010
117 HG3 ARG 14 1HG ARG 14 -2.932 -4.944 0.310
118 HD2 ARG 14 2HD ARG 14 -2.890 -7.352 0.583
119 HD3 ARG 14 1HD ARG 14 -3.240 -7.186 2.299
120 HE ARG 14 HE ARG 14 -5.421 -6.393 1.730
121 HH11 ARG 14 1HH1 ARG 14 -3.651 -7.758 -1.001
122 HH12 ARG 14 2HH1 ARG 14 -5.022 -8.230 -1.867
123 HH21 ARG 14 1HH2 ARG 14 -7.333 -7.072 0.571
124 HH22 ARG 14 2HH2 ARG 14 -7.178 -7.826 -0.953
125 H LYS 15 HN LYS 15 -1.195 -1.733 0.872
126 HA LYS 15 HA LYS 15 -2.184 -0.998 3.507
127 HB2 LYS 15 2HB LYS 15 -0.588 0.565 2.559
128 HB3 LYS 15 1HB LYS 15 -1.543 0.689 1.092
129 HG2 LYS 15 2HG LYS 15 -1.805 2.687 2.472
130 HG3 LYS 15 1HG LYS 15 -3.325 1.820 2.319
131 HD2 LYS 15 2HD LYS 15 -3.068 2.596 4.596
132 HD3 LYS 15 1HD LYS 15 -2.952 0.842 4.572
133 HE2 LYS 15 2HE LYS 15 -0.522 0.997 4.738
134 HE3 LYS 15 1HE LYS 15 -0.614 2.757 4.680
135 HZ1 LYS 15 1HZ LYS 15 -1.821 2.726 6.782
136 HZ2 LYS 15 2HZ LYS 15 -0.362 1.898 6.963
137 HZ3 LYS 15 3HZ LYS 15 -1.792 1.050 6.816
138 H CYS 16 HN CYS 16 -4.226 -0.798 3.902
139 HA CYS 16 HA CYS 16 -6.092 -0.846 1.665
140 HB2 CYS 16 2HB CYS 16 -6.463 -1.698 4.548
141 HB3 CYS 16 1HB CYS 16 -7.744 -1.653 3.340
142 H ARG 17 HN ARG 17 -6.710 1.039 1.194
143 HA ARG 17 HA ARG 17 -6.947 3.102 3.258
144 HB2 ARG 17 2HB ARG 17 -5.394 3.520 1.357
145 HB3 ARG 17 1HB ARG 17 -6.744 3.343 0.249
146 HG2 ARG 17 2HG ARG 17 -7.814 5.288 1.256
147 HG3 ARG 17 1HG ARG 17 -6.446 5.468 2.350
148 HD2 ARG 17 2HD ARG 17 -4.946 5.776 0.461
149 HD3 ARG 17 1HD ARG 17 -6.291 5.570 -0.660
150 HE ARG 17 HE ARG 17 -7.176 7.582 0.783
151 HH11 ARG 17 1HH1 ARG 17 -3.984 7.086 -0.638
152 HH12 ARG 17 2HH1 ARG 17 -3.638 8.735 -0.826
153 HH21 ARG 17 1HH2 ARG 17 -6.711 9.839 0.537
154 HH22 ARG 17 2HH2 ARG 17 -5.240 10.351 -0.159
155 H GLY 18 HN GLY 18 -8.981 3.085 3.986
156 HA2 GLY 18 2HA GLY 18 -11.284 3.188 3.953
157 HA3 GLY 18 1HA GLY 18 -11.221 3.294 2.187
Start of MODEL 8
1 H1 LYS 1 HN LYS 1 -11.664 1.242 0.965
2 HA LYS 1 HA LYS 1 -11.889 -1.218 2.530
3 HB2 LYS 1 2HB LYS 1 -13.944 -1.818 1.290
4 HB3 LYS 1 1HB LYS 1 -14.161 -0.376 2.272
5 HG2 LYS 1 2HG LYS 1 -13.784 0.988 0.229
6 HG3 LYS 1 1HG LYS 1 -13.785 -0.504 -0.712
7 HD2 LYS 1 2HD LYS 1 -16.051 -0.979 0.092
8 HD3 LYS 1 1HD LYS 1 -16.035 0.525 1.012
9 HE2 LYS 1 2HE LYS 1 -15.842 0.256 -1.987
10 HE3 LYS 1 1HE LYS 1 -17.237 0.823 -1.074
11 HZ1 LYS 1 1HZ LYS 1 -15.856 2.718 -0.301
12 HZ2 LYS 1 2HZ LYS 1 -16.024 2.683 -1.973
13 HZ3 LYS 1 3HZ LYS 1 -14.599 2.176 -1.287
14 H TRP 2 HN TRP 2 -10.167 0.278 0.397
15 HA TRP 2 HA TRP 2 -10.005 -1.940 -1.527
16 HB2 TRP 2 2HB TRP 2 -10.607 0.390 -2.372
17 HB3 TRP 2 1HB TRP 2 -8.993 0.883 -1.882
18 HD1 TRP 2 1HD TRP 2 -6.938 -0.638 -3.163
19 HE1 TRP 2 1HE TRP 2 -6.852 -1.359 -5.628
20 HE3 TRP 2 3HE TRP 2 -11.878 -0.157 -4.290
21 HZ2 TRP 2 2HZ TRP 2 -8.664 -1.668 -7.776
22 HZ3 TRP 2 3HZ TRP 2 -12.617 -0.669 -6.556
23 HH2 TRP 2 2HH TRP 2 -11.053 -1.410 -8.265
24 H CYS 3 HN CYS 3 -8.086 -3.054 -1.485
25 HA CYS 3 HA CYS 3 -5.893 -1.834 0.024
26 HB2 CYS 3 2HB CYS 3 -6.536 -4.761 -0.320
27 HB3 CYS 3 1HB CYS 3 -5.168 -4.100 0.562
28 H PHE 4 HN PHE 4 -3.952 -1.689 -0.946
29 HA PHE 4 HA PHE 4 -3.481 -3.237 -3.307
30 HB2 PHE 4 2HB PHE 4 -2.884 -1.286 -4.701
31 HB3 PHE 4 1HB PHE 4 -4.583 -1.306 -4.275
32 HD1 PHE 4 1HD PHE 4 -5.325 0.243 -2.346
33 HD2 PHE 4 2HD PHE 4 -1.590 0.591 -4.344
34 HE1 PHE 4 1HE PHE 4 -5.165 2.578 -1.626
35 HE2 PHE 4 2HE PHE 4 -1.415 2.927 -3.613
36 HZ PHE 4 HZ PHE 4 -3.211 3.928 -2.249
37 H ARG 5 HN ARG 5 -1.268 -2.868 -4.110
38 HA ARG 5 HA ARG 5 0.468 -3.086 -1.842
39 HB2 ARG 5 2HB ARG 5 0.621 -4.639 -3.760
40 HB3 ARG 5 1HB ARG 5 1.072 -3.293 -4.792
41 HG2 ARG 5 2HG ARG 5 3.073 -2.942 -3.352
42 HG3 ARG 5 1HG ARG 5 2.641 -4.417 -2.485
43 HD2 ARG 5 2HD ARG 5 4.301 -4.919 -4.165
44 HD3 ARG 5 1HD ARG 5 2.756 -5.659 -4.600
45 HE ARG 5 HE ARG 5 2.674 -3.301 -5.893
46 HH11 ARG 5 1HH1 ARG 5 5.083 -5.867 -5.859
47 HH12 ARG 5 2HH1 ARG 5 5.681 -5.537 -7.416
48 HH21 ARG 5 1HH2 ARG 5 3.458 -2.821 -8.006
49 HH22 ARG 5 2HH2 ARG 5 4.710 -3.757 -8.684
50 H VAL 6 HN VAL 6 1.650 -1.543 -1.090
51 HA VAL 6 HA VAL 6 2.332 0.746 -2.795
52 HB VAL 6 HB VAL 6 1.874 0.755 0.219
53 HG11 VAL 6 1HG1 VAL 6 2.538 3.030 -1.648
54 HG12 VAL 6 2HG1 VAL 6 3.619 2.324 -0.446
55 HG13 VAL 6 3HG1 VAL 6 2.169 3.186 0.070
56 HG21 VAL 6 1HG2 VAL 6 -0.045 2.201 -0.258
57 HG22 VAL 6 2HG2 VAL 6 -0.225 0.614 -1.007
58 HG23 VAL 6 3HG2 VAL 6 0.241 2.004 -1.987
59 H CYS 7 HN CYS 7 4.461 0.967 -3.061
60 HA CYS 7 HA CYS 7 6.199 -0.538 -1.257
61 HB2 CYS 7 2HB CYS 7 6.643 0.199 -4.147
62 HB3 CYS 7 1HB CYS 7 7.802 -0.622 -3.108
63 H TYR 8 HN TYR 8 7.564 0.480 -0.098
64 HA TYR 8 HA TYR 8 8.369 3.189 -0.850
65 HB2 TYR 8 2HB TYR 8 7.003 3.393 1.111
66 HB3 TYR 8 1HB TYR 8 7.792 2.024 1.880
67 HD1 TYR 8 1HD TYR 8 9.263 2.519 3.570
68 HD2 TYR 8 2HD TYR 8 8.775 5.338 0.434
69 HE1 TYR 8 1HE TYR 8 10.843 4.020 4.690
70 HE2 TYR 8 2HE TYR 8 10.339 6.853 1.539
71 HH TYR 8 HH TYR 8 11.246 7.275 3.717
72 H ARG 9 HN ARG 9 10.311 2.864 -1.734
73 HA ARG 9 HA ARG 9 12.470 2.262 -2.041
74 HB2 ARG 9 2HB ARG 9 12.453 2.262 0.980
75 HB3 ARG 9 1HB ARG 9 13.903 2.260 -0.012
76 HG2 ARG 9 2HG ARG 9 13.174 4.434 -0.986
77 HG3 ARG 9 1HG ARG 9 11.807 4.404 0.115
78 HD2 ARG 9 2HD ARG 9 13.262 4.414 2.026
79 HD3 ARG 9 1HD ARG 9 14.686 4.336 0.990
80 HE ARG 9 HE ARG 9 13.192 6.535 0.213
81 HH11 ARG 9 1HH1 ARG 9 15.028 5.502 3.046
82 HH12 ARG 9 2HH1 ARG 9 15.466 7.071 3.530
83 HH21 ARG 9 1HH2 ARG 9 13.753 8.728 0.910
84 HH22 ARG 9 2HH2 ARG 9 14.705 8.950 2.294
85 H GLY 10 HN GLY 10 10.638 0.127 -2.125
86 HA2 GLY 10 2HA GLY 10 11.199 -2.128 -2.716
87 HA3 GLY 10 1HA GLY 10 12.475 -2.070 -1.503
88 H ILE 11 HN ILE 11 10.504 -0.767 0.354
89 HA ILE 11 HA ILE 11 9.572 -3.206 1.557
90 HB ILE 11 HB ILE 11 9.083 -0.319 2.375
91 HG12 ILE 11 2HG1 ILE 11 11.202 -2.201 3.418
92 HG13 ILE 11 1HG1 ILE 11 11.504 -0.983 2.185
93 HG21 ILE 11 1HG2 ILE 11 8.914 -2.881 3.970
94 HG22 ILE 11 2HG2 ILE 11 7.541 -1.930 3.406
95 HG23 ILE 11 3HG2 ILE 11 8.652 -1.254 4.598
96 HD11 ILE 11 1HD1 ILE 11 12.204 -0.255 4.421
97 HD12 ILE 11 2HD1 ILE 11 10.540 -0.423 4.991
98 HD13 ILE 11 3HD1 ILE 11 10.940 0.774 3.759
99 H CYS 12 HN CYS 12 7.924 -4.045 0.394
100 HA CYS 12 HA CYS 12 5.751 -2.260 -0.390
101 HB2 CYS 12 2HB CYS 12 6.330 -5.087 -1.277
102 HB3 CYS 12 1HB CYS 12 5.047 -4.044 -1.885
103 H TYR 13 HN TYR 13 3.820 -2.368 0.506
104 HA TYR 13 HA TYR 13 3.196 -4.657 2.159
105 HB2 TYR 13 2HB TYR 13 2.350 -3.036 3.921
106 HB3 TYR 13 1HB TYR 13 4.095 -3.165 3.781
107 HD1 TYR 13 1HD TYR 13 5.427 -1.275 3.221
108 HD2 TYR 13 2HD TYR 13 1.191 -1.005 3.012
109 HE1 TYR 13 1HE TYR 13 5.602 1.156 2.985
110 HE2 TYR 13 2HE TYR 13 1.368 1.432 2.766
111 HH TYR 13 HH TYR 13 4.237 3.041 2.098
112 H ARG 14 HN ARG 14 0.956 -4.758 2.679
113 HA ARG 14 HA ARG 14 -0.730 -3.810 0.546
114 HB2 ARG 14 2HB ARG 14 -1.068 -6.074 1.289
115 HB3 ARG 14 1HB ARG 14 -1.190 -5.563 2.964
116 HG2 ARG 14 2HG ARG 14 -3.302 -4.426 2.446
117 HG3 ARG 14 1HG ARG 14 -3.167 -4.973 0.772
118 HD2 ARG 14 2HD ARG 14 -3.285 -7.268 1.456
119 HD3 ARG 14 1HD ARG 14 -3.219 -6.818 3.154
120 HE ARG 14 HE ARG 14 -5.399 -5.617 2.608
121 HH11 ARG 14 1HH1 ARG 14 -4.427 -8.622 1.002
122 HH12 ARG 14 2HH1 ARG 14 -6.005 -9.247 0.888
123 HH21 ARG 14 1HH2 ARG 14 -7.590 -6.515 2.495
124 HH22 ARG 14 2HH2 ARG 14 -7.842 -8.015 1.763
125 H LYS 15 HN LYS 15 -1.195 -1.721 0.755
126 HA LYS 15 HA LYS 15 -1.941 -0.769 3.418
127 HB2 LYS 15 2HB LYS 15 -0.262 0.499 1.948
128 HB3 LYS 15 1HB LYS 15 -1.635 0.906 0.936
129 HG2 LYS 15 2HG LYS 15 -1.177 2.745 2.422
130 HG3 LYS 15 1HG LYS 15 -2.714 2.002 2.877
131 HD2 LYS 15 2HD LYS 15 -1.647 0.816 4.703
132 HD3 LYS 15 1HD LYS 15 -0.062 1.409 4.220
133 HE2 LYS 15 2HE LYS 15 -0.905 3.729 4.643
134 HE3 LYS 15 1HE LYS 15 -2.381 3.010 5.269
135 HZ1 LYS 15 1HZ LYS 15 -1.130 1.912 6.977
136 HZ2 LYS 15 2HZ LYS 15 -0.807 3.560 7.027
137 HZ3 LYS 15 3HZ LYS 15 0.331 2.500 6.371
138 H CYS 16 HN CYS 16 -4.034 -0.330 3.842
139 HA CYS 16 HA CYS 16 -5.833 -0.640 1.584
140 HB2 CYS 16 2HB CYS 16 -6.334 -1.196 4.511
141 HB3 CYS 16 1HB CYS 16 -7.521 -1.366 3.223
142 H ARG 17 HN ARG 17 -7.132 0.893 1.079
143 HA ARG 17 HA ARG 17 -7.301 3.250 2.823
144 HB2 ARG 17 2HB ARG 17 -7.301 3.135 -0.200
145 HB3 ARG 17 1HB ARG 17 -7.531 4.583 0.758
146 HG2 ARG 17 2HG ARG 17 -5.052 2.915 0.873
147 HG3 ARG 17 1HG ARG 17 -5.245 4.261 -0.259
148 HD2 ARG 17 2HD ARG 17 -4.004 5.065 1.613
149 HD3 ARG 17 1HD ARG 17 -5.625 5.727 1.757
150 HE ARG 17 HE ARG 17 -5.447 3.342 3.246
151 HH11 ARG 17 1HH1 ARG 17 -4.282 6.695 3.324
152 HH12 ARG 17 2HH1 ARG 17 -4.097 6.735 5.012
153 HH21 ARG 17 1HH2 ARG 17 -5.182 3.410 5.593
154 HH22 ARG 17 2HH2 ARG 17 -4.620 4.833 6.318
155 H GLY 18 HN GLY 18 -9.186 3.074 3.671
156 HA2 GLY 18 2HA GLY 18 -11.500 3.178 3.819
157 HA3 GLY 18 1HA GLY 18 -11.564 3.173 2.060
Start of MODEL 9
1 H1 LYS 1 HN LYS 1 -11.805 1.094 1.391
2 HA LYS 1 HA LYS 1 -11.594 -1.545 2.660
3 HB2 LYS 1 2HB LYS 1 -13.581 -2.279 1.352
4 HB3 LYS 1 1HB LYS 1 -13.934 -1.051 2.549
5 HG2 LYS 1 2HG LYS 1 -13.895 0.640 0.727
6 HG3 LYS 1 1HG LYS 1 -13.739 -0.688 -0.432
7 HD2 LYS 1 2HD LYS 1 -15.838 -1.635 0.367
8 HD3 LYS 1 1HD LYS 1 -15.981 -0.351 1.564
9 HE2 LYS 1 2HE LYS 1 -17.401 0.160 -0.315
10 HE3 LYS 1 1HE LYS 1 -16.056 1.295 -0.282
11 HZ1 LYS 1 1HZ LYS 1 -16.205 -1.113 -2.005
12 HZ2 LYS 1 2HZ LYS 1 -14.982 0.036 -2.036
13 HZ3 LYS 1 3HZ LYS 1 -16.538 0.448 -2.508
14 H TRP 2 HN TRP 2 -10.223 0.306 0.404
15 HA TRP 2 HA TRP 2 -9.884 -1.916 -1.481
16 HB2 TRP 2 2HB TRP 2 -10.601 0.439 -2.279
17 HB3 TRP 2 1HB TRP 2 -8.958 0.915 -1.893
18 HD1 TRP 2 1HD TRP 2 -7.097 -1.083 -3.133
19 HE1 TRP 2 1HE TRP 2 -7.073 -1.659 -5.634
20 HE3 TRP 2 3HE TRP 2 -11.767 0.484 -4.363
21 HZ2 TRP 2 2HZ TRP 2 -8.802 -1.456 -7.851
22 HZ3 TRP 2 3HZ TRP 2 -12.519 0.270 -6.706
23 HH2 TRP 2 2HH TRP 2 -11.050 -0.682 -8.409
24 H CYS 3 HN CYS 3 -8.079 -3.046 -1.193
25 HA CYS 3 HA CYS 3 -5.799 -1.707 0.052
26 HB2 CYS 3 2HB CYS 3 -6.445 -4.650 -0.080
27 HB3 CYS 3 1HB CYS 3 -5.027 -3.947 0.681
28 H PHE 4 HN PHE 4 -4.069 -1.439 -1.096
29 HA PHE 4 HA PHE 4 -3.650 -3.063 -3.458
30 HB2 PHE 4 2HB PHE 4 -2.952 -0.982 -4.715
31 HB3 PHE 4 1HB PHE 4 -4.669 -1.109 -4.395
32 HD1 PHE 4 1HD PHE 4 -1.639 0.806 -3.809
33 HD2 PHE 4 2HD PHE 4 -5.726 0.370 -2.709
34 HE1 PHE 4 1HE PHE 4 -1.631 3.072 -2.845
35 HE2 PHE 4 2HE PHE 4 -5.717 2.620 -1.746
36 HZ PHE 4 HZ PHE 4 -3.673 3.980 -1.814
37 H ARG 5 HN ARG 5 -1.398 -2.858 -4.250
38 HA ARG 5 HA ARG 5 0.327 -3.064 -1.933
39 HB2 ARG 5 2HB ARG 5 0.337 -4.815 -3.649
40 HB3 ARG 5 1HB ARG 5 0.853 -3.635 -4.842
41 HG2 ARG 5 2HG ARG 5 2.900 -3.251 -3.457
42 HG3 ARG 5 1HG ARG 5 2.399 -4.618 -2.460
43 HD2 ARG 5 2HD ARG 5 2.925 -4.679 -5.417
44 HD3 ARG 5 1HD ARG 5 4.014 -5.283 -4.172
45 HE ARG 5 HE ARG 5 1.737 -6.636 -3.710
46 HH11 ARG 5 1HH1 ARG 5 3.577 -6.089 -6.698
47 HH12 ARG 5 2HH1 ARG 5 3.252 -7.624 -7.350
48 HH21 ARG 5 1HH2 ARG 5 1.274 -8.789 -4.641
49 HH22 ARG 5 2HH2 ARG 5 1.917 -9.162 -6.162
50 H VAL 6 HN VAL 6 1.569 -1.458 -1.298
51 HA VAL 6 HA VAL 6 2.459 0.537 -3.272
52 HB VAL 6 HB VAL 6 2.077 0.908 -0.276
53 HG11 VAL 6 1HG1 VAL 6 3.948 2.238 -1.127
54 HG12 VAL 6 2HG1 VAL 6 2.589 3.273 -0.688
55 HG13 VAL 6 3HG1 VAL 6 2.907 2.911 -2.383
56 HG21 VAL 6 1HG2 VAL 6 -0.023 0.808 -1.497
57 HG22 VAL 6 2HG2 VAL 6 0.534 2.088 -2.579
58 HG23 VAL 6 3HG2 VAL 6 0.280 2.417 -0.862
59 H CYS 7 HN CYS 7 4.584 0.626 -3.575
60 HA CYS 7 HA CYS 7 6.293 -0.786 -1.670
61 HB2 CYS 7 2HB CYS 7 6.723 -0.226 -4.606
62 HB3 CYS 7 1HB CYS 7 7.883 -1.016 -3.543
63 H TYR 8 HN TYR 8 7.469 0.357 -0.476
64 HA TYR 8 HA TYR 8 8.395 2.994 -1.347
65 HB2 TYR 8 2HB TYR 8 6.449 3.269 0.107
66 HB3 TYR 8 1HB TYR 8 7.174 2.213 1.304
67 HD1 TYR 8 1HD TYR 8 7.475 5.523 -0.333
68 HD2 TYR 8 2HD TYR 8 8.666 3.065 2.919
69 HE1 TYR 8 1HE TYR 8 8.409 7.480 0.799
70 HE2 TYR 8 2HE TYR 8 9.604 5.002 4.056
71 HH TYR 8 HH TYR 8 9.003 8.216 3.056
72 H ARG 9 HN ARG 9 10.494 2.688 -1.539
73 HA ARG 9 HA ARG 9 12.684 2.322 -1.048
74 HB2 ARG 9 2HB ARG 9 11.709 2.099 1.813
75 HB3 ARG 9 1HB ARG 9 13.381 2.321 1.322
76 HG2 ARG 9 2HG ARG 9 12.703 4.486 0.270
77 HG3 ARG 9 1HG ARG 9 11.104 4.225 0.929
78 HD2 ARG 9 2HD ARG 9 11.944 4.275 3.183
79 HD3 ARG 9 1HD ARG 9 13.604 4.406 2.594
80 HE ARG 9 HE ARG 9 12.137 6.461 1.469
81 HH11 ARG 9 1HH1 ARG 9 13.083 5.546 4.769
82 HH12 ARG 9 2HH1 ARG 9 13.238 7.160 5.305
83 HH21 ARG 9 1HH2 ARG 9 12.348 8.704 2.286
84 HH22 ARG 9 2HH2 ARG 9 12.826 8.931 3.905
85 H GLY 10 HN GLY 10 10.927 0.105 -1.664
86 HA2 GLY 10 2HA GLY 10 11.658 -2.112 -2.165
87 HA3 GLY 10 1HA GLY 10 12.667 -2.065 -0.721
88 H ILE 11 HN ILE 11 10.281 -0.776 0.610
89 HA ILE 11 HA ILE 11 9.207 -3.199 1.725
90 HB ILE 11 HB ILE 11 8.589 -0.294 2.311
91 HG12 ILE 11 2HG1 ILE 11 10.417 -2.131 3.861
92 HG13 ILE 11 1HG1 ILE 11 10.987 -0.987 2.649
93 HG21 ILE 11 1HG2 ILE 11 6.824 -1.789 3.081
94 HG22 ILE 11 2HG2 ILE 11 7.703 -1.110 4.449
95 HG23 ILE 11 3HG2 ILE 11 8.008 -2.769 3.944
96 HD11 ILE 11 1HD1 ILE 11 10.087 0.844 3.942
97 HD12 ILE 11 2HD1 ILE 11 11.221 -0.108 4.911
98 HD13 ILE 11 3HD1 ILE 11 9.477 -0.284 5.150
99 H CYS 12 HN CYS 12 7.742 -4.083 0.375
100 HA CYS 12 HA CYS 12 5.649 -2.349 -0.706
101 HB2 CYS 12 2HB CYS 12 6.229 -5.257 -1.299
102 HB3 CYS 12 1HB CYS 12 4.967 -4.265 -2.035
103 H TYR 13 HN TYR 13 3.913 -2.123 0.450
104 HA TYR 13 HA TYR 13 3.218 -4.308 2.257
105 HB2 TYR 13 2HB TYR 13 2.400 -2.620 3.874
106 HB3 TYR 13 1HB TYR 13 4.131 -2.530 3.607
107 HD1 TYR 13 1HD TYR 13 5.120 -0.547 2.571
108 HD2 TYR 13 2HD TYR 13 0.893 -0.799 3.119
109 HE1 TYR 13 1HE TYR 13 4.922 1.861 2.192
110 HE2 TYR 13 2HE TYR 13 0.700 1.595 2.741
111 HH TYR 13 HH TYR 13 3.157 3.496 1.449
112 H ARG 14 HN ARG 14 0.920 -4.064 3.026
113 HA ARG 14 HA ARG 14 -0.741 -3.732 0.678
114 HB2 ARG 14 2HB ARG 14 -0.955 -5.831 1.887
115 HB3 ARG 14 1HB ARG 14 -1.230 -4.967 3.389
116 HG2 ARG 14 2HG ARG 14 -3.343 -4.107 2.503
117 HG3 ARG 14 1HG ARG 14 -3.066 -5.003 1.007
118 HD2 ARG 14 2HD ARG 14 -3.116 -7.087 2.185
119 HD3 ARG 14 1HD ARG 14 -3.214 -6.251 3.736
120 HE ARG 14 HE ARG 14 -5.378 -5.327 2.705
121 HH11 ARG 14 1HH1 ARG 14 -4.197 -8.665 2.452
122 HH12 ARG 14 2HH1 ARG 14 -5.728 -9.356 2.209
123 HH21 ARG 14 1HH2 ARG 14 -7.536 -6.307 2.382
124 HH22 ARG 14 2HH2 ARG 14 -7.641 -7.986 2.171
125 H LYS 15 HN LYS 15 -1.128 -1.635 0.492
126 HA LYS 15 HA LYS 15 -1.823 -0.033 2.793
127 HB2 LYS 15 2HB LYS 15 -0.482 0.995 1.103
128 HB3 LYS 15 1HB LYS 15 -1.649 0.574 -0.139
129 HG2 LYS 15 2HG LYS 15 -1.750 2.960 0.424
130 HG3 LYS 15 1HG LYS 15 -3.255 2.142 0.836
131 HD2 LYS 15 2HD LYS 15 -2.575 2.006 3.149
132 HD3 LYS 15 1HD LYS 15 -1.031 2.772 2.765
133 HE2 LYS 15 2HE LYS 15 -3.749 4.014 2.400
134 HE3 LYS 15 1HE LYS 15 -2.678 4.321 3.768
135 HZ1 LYS 15 1HZ LYS 15 -2.483 6.062 2.148
136 HZ2 LYS 15 2HZ LYS 15 -2.117 4.969 0.919
137 HZ3 LYS 15 3HZ LYS 15 -1.045 5.188 2.194
138 H CYS 16 HN CYS 16 -3.729 0.064 3.488
139 HA CYS 16 HA CYS 16 -5.954 -0.635 1.710
140 HB2 CYS 16 2HB CYS 16 -5.722 -1.037 4.692
141 HB3 CYS 16 1HB CYS 16 -7.203 -1.290 3.775
142 H ARG 17 HN ARG 17 -6.966 1.050 1.033
143 HA ARG 17 HA ARG 17 -7.291 3.290 2.876
144 HB2 ARG 17 2HB ARG 17 -6.099 3.725 0.665
145 HB3 ARG 17 1HB ARG 17 -7.584 3.291 -0.153
146 HG2 ARG 17 2HG ARG 17 -7.493 5.546 1.837
147 HG3 ARG 17 1HG ARG 17 -7.032 5.784 0.160
148 HD2 ARG 17 2HD ARG 17 -9.709 4.728 1.069
149 HD3 ARG 17 1HD ARG 17 -9.387 6.414 0.671
150 HE ARG 17 HE ARG 17 -8.578 4.828 -1.470
151 HH11 ARG 17 1HH1 ARG 17 -11.584 5.801 0.118
152 HH12 ARG 17 2HH1 ARG 17 -12.542 5.692 -1.290
153 HH21 ARG 17 1HH2 ARG 17 -9.902 4.679 -3.427
154 HH22 ARG 17 2HH2 ARG 17 -11.560 5.051 -3.352
155 H GLY 18 HN GLY 18 -9.032 2.853 3.940
156 HA2 GLY 18 2HA GLY 18 -11.260 2.595 4.397
157 HA3 GLY 18 1HA GLY 18 -11.590 2.825 2.686
Start of MODEL 10
1 H1 LYS 1 HN LYS 1 -11.549 1.898 0.561
2 HA LYS 1 HA LYS 1 -11.948 -0.548 2.151
3 HB2 LYS 1 2HB LYS 1 -13.670 0.395 -0.150
4 HB3 LYS 1 1HB LYS 1 -13.874 -1.095 0.751
5 HG2 LYS 1 2HG LYS 1 -14.274 0.271 2.784
6 HG3 LYS 1 1HG LYS 1 -14.224 1.701 1.773
7 HD2 LYS 1 2HD LYS 1 -16.075 0.841 0.410
8 HD3 LYS 1 1HD LYS 1 -16.164 -0.585 1.440
9 HE2 LYS 1 2HE LYS 1 -16.562 2.251 2.365
10 HE3 LYS 1 1HE LYS 1 -17.865 1.125 2.001
11 HZ1 LYS 1 1HZ LYS 1 -15.824 0.753 4.155
12 HZ2 LYS 1 2HZ LYS 1 -17.090 -0.296 3.798
13 HZ3 LYS 1 3HZ LYS 1 -17.416 1.233 4.359
14 H TRP 2 HN TRP 2 -9.870 0.668 0.213
15 HA TRP 2 HA TRP 2 -9.845 -1.510 -1.768
16 HB2 TRP 2 2HB TRP 2 -10.066 0.921 -2.538
17 HB3 TRP 2 1HB TRP 2 -8.440 1.154 -1.929
18 HD1 TRP 2 1HD TRP 2 -6.670 -0.915 -3.161
19 HE1 TRP 2 1HE TRP 2 -6.453 -1.293 -5.699
20 HE3 TRP 2 3HE TRP 2 -11.087 1.161 -4.662
21 HZ2 TRP 2 2HZ TRP 2 -7.957 -0.769 -8.029
22 HZ3 TRP 2 3HZ TRP 2 -11.620 1.186 -7.064
23 HH2 TRP 2 2HH TRP 2 -10.086 0.242 -8.706
24 H CYS 3 HN CYS 3 -8.230 -2.933 -1.453
25 HA CYS 3 HA CYS 3 -5.917 -2.131 0.169
26 HB2 CYS 3 2HB CYS 3 -7.028 -4.866 -0.460
27 HB3 CYS 3 1HB CYS 3 -5.550 -4.576 0.453
28 H PHE 4 HN PHE 4 -4.058 -1.864 -0.812
29 HA PHE 4 HA PHE 4 -3.531 -3.336 -3.228
30 HB2 PHE 4 2HB PHE 4 -2.789 -1.312 -4.441
31 HB3 PHE 4 1HB PHE 4 -4.508 -1.293 -4.104
32 HD1 PHE 4 1HD PHE 4 -1.383 0.437 -3.775
33 HD2 PHE 4 2HD PHE 4 -5.333 0.202 -2.198
34 HE1 PHE 4 1HE PHE 4 -1.155 2.701 -2.846
35 HE2 PHE 4 2HE PHE 4 -5.101 2.454 -1.273
36 HZ PHE 4 HZ PHE 4 -3.016 3.713 -1.599
37 H ARG 5 HN ARG 5 -1.222 -2.824 -3.924
38 HA ARG 5 HA ARG 5 0.381 -3.230 -1.555
39 HB2 ARG 5 2HB ARG 5 0.546 -4.652 -3.637
40 HB3 ARG 5 1HB ARG 5 1.260 -3.261 -4.428
41 HG2 ARG 5 2HG ARG 5 3.076 -3.243 -2.791
42 HG3 ARG 5 1HG ARG 5 2.376 -4.660 -2.007
43 HD2 ARG 5 2HD ARG 5 4.116 -5.426 -3.446
44 HD3 ARG 5 1HD ARG 5 2.572 -5.853 -4.182
45 HE ARG 5 HE ARG 5 3.803 -3.366 -5.018
46 HH11 ARG 5 1HH1 ARG 5 2.901 -6.686 -5.861
47 HH12 ARG 5 2HH1 ARG 5 3.528 -6.605 -7.437
48 HH21 ARG 5 1HH2 ARG 5 4.639 -3.235 -7.194
49 HH22 ARG 5 2HH2 ARG 5 4.547 -4.582 -8.222
50 H VAL 6 HN VAL 6 1.537 -1.701 -0.702
51 HA VAL 6 HA VAL 6 2.115 0.677 -2.308
52 HB VAL 6 HB VAL 6 2.005 0.424 0.724
53 HG11 VAL 6 1HG1 VAL 6 2.488 2.851 -1.014
54 HG12 VAL 6 2HG1 VAL 6 3.687 2.051 0.003
55 HG13 VAL 6 3HG1 VAL 6 2.306 2.864 0.742
56 HG21 VAL 6 1HG2 VAL 6 0.057 1.887 0.578
57 HG22 VAL 6 2HG2 VAL 6 -0.206 0.384 -0.317
58 HG23 VAL 6 3HG2 VAL 6 0.175 1.870 -1.181
59 H CYS 7 HN CYS 7 4.122 0.790 -2.943
60 HA CYS 7 HA CYS 7 6.123 -0.619 -1.366
61 HB2 CYS 7 2HB CYS 7 6.109 0.087 -4.307
62 HB3 CYS 7 1HB CYS 7 7.514 -0.547 -3.454
63 H TYR 8 HN TYR 8 7.326 0.538 -0.258
64 HA TYR 8 HA TYR 8 7.912 3.284 -1.085
65 HB2 TYR 8 2HB TYR 8 6.321 3.287 0.768
66 HB3 TYR 8 1HB TYR 8 7.368 2.215 1.689
67 HD1 TYR 8 1HD TYR 8 7.084 5.639 0.260
68 HD2 TYR 8 2HD TYR 8 9.136 3.126 3.004
69 HE1 TYR 8 1HE TYR 8 8.194 7.603 1.223
70 HE2 TYR 8 2HE TYR 8 10.240 5.069 3.976
71 HH TYR 8 HH TYR 8 9.269 8.153 3.527
72 H ARG 9 HN ARG 9 9.889 3.091 -1.817
73 HA ARG 9 HA ARG 9 12.149 2.887 -1.878
74 HB2 ARG 9 2HB ARG 9 11.946 2.359 1.087
75 HB3 ARG 9 1HB ARG 9 13.409 2.785 0.218
76 HG2 ARG 9 2HG ARG 9 12.331 4.981 -0.352
77 HG3 ARG 9 1HG ARG 9 10.989 4.509 0.681
78 HD2 ARG 9 2HD ARG 9 12.489 4.271 2.570
79 HD3 ARG 9 1HD ARG 9 13.847 4.714 1.534
80 HE ARG 9 HE ARG 9 11.624 6.554 2.004
81 HH11 ARG 9 1HH1 ARG 9 15.084 5.827 2.149
82 HH12 ARG 9 2HH1 ARG 9 15.539 7.375 2.663
83 HH21 ARG 9 1HH2 ARG 9 12.240 8.668 2.731
84 HH22 ARG 9 2HH2 ARG 9 13.871 9.034 3.010
85 H GLY 10 HN GLY 10 10.353 0.538 -2.113
86 HA2 GLY 10 2HA GLY 10 11.066 -1.639 -2.857
87 HA3 GLY 10 1HA GLY 10 12.405 -1.499 -1.714
88 H ILE 11 HN ILE 11 10.202 -0.400 0.154
89 HA ILE 11 HA ILE 11 9.642 -2.954 1.387
90 HB ILE 11 HB ILE 11 8.925 -0.131 2.258
91 HG12 ILE 11 2HG1 ILE 11 11.178 -1.880 3.254
92 HG13 ILE 11 1HG1 ILE 11 11.384 -0.621 2.042
93 HG21 ILE 11 1HG2 ILE 11 8.891 -2.724 3.817
94 HG22 ILE 11 2HG2 ILE 11 7.481 -1.805 3.299
95 HG23 ILE 11 3HG2 ILE 11 8.591 -1.123 4.489
96 HD11 ILE 11 1HD1 ILE 11 10.451 -0.222 4.884
97 HD12 ILE 11 2HD1 ILE 11 10.652 1.046 3.675
98 HD13 ILE 11 3HD1 ILE 11 12.057 0.149 4.252
99 H CYS 12 HN CYS 12 7.969 -3.985 0.506
100 HA CYS 12 HA CYS 12 5.691 -2.389 -0.404
101 HB2 CYS 12 2HB CYS 12 6.557 -5.133 -1.316
102 HB3 CYS 12 1HB CYS 12 5.157 -4.232 -1.898
103 H TYR 13 HN TYR 13 3.944 -2.525 0.790
104 HA TYR 13 HA TYR 13 3.362 -5.045 2.128
105 HB2 TYR 13 2HB TYR 13 2.568 -3.770 4.125
106 HB3 TYR 13 1HB TYR 13 4.299 -3.643 3.862
107 HD1 TYR 13 1HD TYR 13 1.238 -1.864 4.354
108 HD2 TYR 13 2HD TYR 13 5.167 -1.469 2.759
109 HE1 TYR 13 1HE TYR 13 1.048 0.558 4.494
110 HE2 TYR 13 2HE TYR 13 4.981 0.966 2.888
111 HH TYR 13 HH TYR 13 3.219 2.692 2.973
112 H ARG 14 HN ARG 14 1.030 -5.207 2.759
113 HA ARG 14 HA ARG 14 -0.514 -4.193 0.513
114 HB2 ARG 14 2HB ARG 14 -0.449 -6.660 1.264
115 HB3 ARG 14 1HB ARG 14 -1.447 -6.156 2.617
116 HG2 ARG 14 2HG ARG 14 -2.875 -7.076 0.941
117 HG3 ARG 14 1HG ARG 14 -3.125 -5.328 0.942
118 HD2 ARG 14 2HD ARG 14 -1.633 -5.095 -0.977
119 HD3 ARG 14 1HD ARG 14 -1.314 -6.826 -0.944
120 HE ARG 14 HE ARG 14 -4.037 -6.568 -1.209
121 HH11 ARG 14 1HH1 ARG 14 -1.163 -5.813 -3.094
122 HH12 ARG 14 2HH1 ARG 14 -1.986 -5.666 -4.573
123 HH21 ARG 14 1HH2 ARG 14 -5.155 -6.488 -3.208
124 HH22 ARG 14 2HH2 ARG 14 -4.339 -6.116 -4.664
125 H LYS 15 HN LYS 15 -1.062 -2.145 1.012
126 HA LYS 15 HA LYS 15 -2.127 -1.613 3.670
127 HB2 LYS 15 2HB LYS 15 -0.258 -0.189 2.900
128 HB3 LYS 15 1HB LYS 15 -1.231 0.336 1.543
129 HG2 LYS 15 2HG LYS 15 -2.813 1.401 3.049
130 HG3 LYS 15 1HG LYS 15 -1.905 0.810 4.438
131 HD2 LYS 15 2HD LYS 15 0.039 2.147 3.718
132 HD3 LYS 15 1HD LYS 15 -0.885 2.740 2.344
133 HE2 LYS 15 2HE LYS 15 -2.521 3.733 3.885
134 HE3 LYS 15 1HE LYS 15 -1.578 3.133 5.246
135 HZ1 LYS 15 1HZ LYS 15 0.250 4.547 4.556
136 HZ2 LYS 15 2HZ LYS 15 -1.139 5.469 4.795
137 HZ3 LYS 15 3HZ LYS 15 -0.632 5.097 3.234
138 H CYS 16 HN CYS 16 -4.158 -0.989 3.962
139 HA CYS 16 HA CYS 16 -5.869 -0.894 1.599
140 HB2 CYS 16 2HB CYS 16 -6.597 -1.535 4.461
141 HB3 CYS 16 1HB CYS 16 -7.665 -1.606 3.059
142 H ARG 17 HN ARG 17 -6.728 0.907 1.082
143 HA ARG 17 HA ARG 17 -6.802 3.071 3.059
144 HB2 ARG 17 2HB ARG 17 -5.174 3.204 1.013
145 HB3 ARG 17 1HB ARG 17 -6.631 3.427 0.062
146 HG2 ARG 17 2HG ARG 17 -5.753 5.238 2.313
147 HG3 ARG 17 1HG ARG 17 -5.437 5.527 0.612
148 HD2 ARG 17 2HD ARG 17 -8.172 5.295 1.852
149 HD3 ARG 17 1HD ARG 17 -7.351 6.816 1.508
150 HE ARG 17 HE ARG 17 -7.607 5.126 -0.793
151 HH11 ARG 17 1HH1 ARG 17 -9.398 7.408 1.233
152 HH12 ARG 17 2HH1 ARG 17 -10.381 7.993 -0.012
153 HH21 ARG 17 1HH2 ARG 17 -8.962 5.920 -2.533
154 HH22 ARG 17 2HH2 ARG 17 -10.090 7.169 -2.225
155 H GLY 18 HN GLY 18 -8.871 3.482 3.562
156 HA2 GLY 18 2HA GLY 18 -11.140 3.767 3.354
157 HA3 GLY 18 1HA GLY 18 -10.940 3.698 1.607
Start of MODEL 11
1 H1 LYS 1 HN LYS 1 -12.425 0.528 1.551
2 HA LYS 1 HA LYS 1 -11.493 -2.022 2.639
3 HB2 LYS 1 2HB LYS 1 -13.285 -3.003 1.176
4 HB3 LYS 1 1HB LYS 1 -13.877 -1.931 2.436
5 HG2 LYS 1 2HG LYS 1 -14.159 -0.146 0.824
6 HG3 LYS 1 1HG LYS 1 -13.479 -1.161 -0.447
7 HD2 LYS 1 2HD LYS 1 -15.327 -2.679 -0.297
8 HD3 LYS 1 1HD LYS 1 -15.964 -1.839 1.118
9 HE2 LYS 1 2HE LYS 1 -15.661 -0.614 -1.623
10 HE3 LYS 1 1HE LYS 1 -17.162 -1.275 -0.986
11 HZ1 LYS 1 1HZ LYS 1 -17.061 1.133 -0.695
12 HZ2 LYS 1 2HZ LYS 1 -15.658 1.014 0.197
13 HZ3 LYS 1 3HZ LYS 1 -17.085 0.354 0.788
14 H TRP 2 HN TRP 2 -10.712 0.142 0.264
15 HA TRP 2 HA TRP 2 -9.995 -1.740 -1.817
16 HB2 TRP 2 2HB TRP 2 -10.775 0.597 -2.313
17 HB3 TRP 2 1HB TRP 2 -9.344 1.210 -1.508
18 HD1 TRP 2 1HD TRP 2 -6.989 -0.230 -2.845
19 HE1 TRP 2 1HE TRP 2 -6.505 -0.006 -5.375
20 HE3 TRP 2 3HE TRP 2 -11.619 1.187 -4.465
21 HZ2 TRP 2 2HZ TRP 2 -7.878 0.671 -7.705
22 HZ3 TRP 2 3HZ TRP 2 -11.945 1.608 -6.864
23 HH2 TRP 2 2HH TRP 2 -10.111 1.355 -8.449
24 H CYS 3 HN CYS 3 -8.230 -2.944 -1.457
25 HA CYS 3 HA CYS 3 -6.047 -1.685 0.018
26 HB2 CYS 3 2HB CYS 3 -6.719 -4.588 -0.303
27 HB3 CYS 3 1HB CYS 3 -5.273 -3.995 0.519
28 H PHE 4 HN PHE 4 -4.065 -1.613 -0.792
29 HA PHE 4 HA PHE 4 -3.540 -2.770 -3.369
30 HB2 PHE 4 2HB PHE 4 -2.865 -0.541 -4.288
31 HB3 PHE 4 1HB PHE 4 -4.591 -0.674 -4.000
32 HD1 PHE 4 1HD PHE 4 -1.724 1.323 -3.531
33 HD2 PHE 4 2HD PHE 4 -5.418 0.305 -1.701
34 HE1 PHE 4 1HE PHE 4 -1.651 3.392 -2.219
35 HE2 PHE 4 2HE PHE 4 -5.350 2.355 -0.389
36 HZ PHE 4 HZ PHE 4 -3.466 3.915 -0.641
37 H ARG 5 HN ARG 5 -1.279 -2.526 -3.900
38 HA ARG 5 HA ARG 5 0.279 -2.683 -1.462
39 HB2 ARG 5 2HB ARG 5 0.314 -4.594 -2.968
40 HB3 ARG 5 1HB ARG 5 0.858 -3.566 -4.279
41 HG2 ARG 5 2HG ARG 5 2.931 -3.127 -3.061
42 HG3 ARG 5 1HG ARG 5 2.384 -4.198 -1.767
43 HD2 ARG 5 2HD ARG 5 3.896 -5.370 -3.280
44 HD3 ARG 5 1HD ARG 5 2.273 -6.053 -3.353
45 HE ARG 5 HE ARG 5 2.298 -4.229 -5.351
46 HH11 ARG 5 1HH1 ARG 5 4.363 -6.977 -4.550
47 HH12 ARG 5 2HH1 ARG 5 4.767 -7.328 -6.163
48 HH21 ARG 5 1HH2 ARG 5 2.832 -4.693 -7.572
49 HH22 ARG 5 2HH2 ARG 5 3.881 -5.972 -7.927
50 H VAL 6 HN VAL 6 1.594 -1.148 -0.938
51 HA VAL 6 HA VAL 6 2.397 0.867 -2.941
52 HB VAL 6 HB VAL 6 2.344 1.138 0.084
53 HG11 VAL 6 1HG1 VAL 6 2.803 3.231 -2.043
54 HG12 VAL 6 2HG1 VAL 6 4.036 2.527 -0.999
55 HG13 VAL 6 3HG1 VAL 6 2.751 3.510 -0.299
56 HG21 VAL 6 1HG2 VAL 6 0.438 2.642 -0.230
57 HG22 VAL 6 2HG2 VAL 6 0.080 1.008 -0.780
58 HG23 VAL 6 3HG2 VAL 6 0.439 2.275 -1.955
59 H CYS 7 HN CYS 7 4.554 1.003 -3.331
60 HA CYS 7 HA CYS 7 6.274 -0.592 -1.599
61 HB2 CYS 7 2HB CYS 7 6.642 0.143 -4.514
62 HB3 CYS 7 1HB CYS 7 7.800 -0.746 -3.532
63 H TYR 8 HN TYR 8 7.754 0.330 -0.493
64 HA TYR 8 HA TYR 8 8.739 2.971 -1.239
65 HB2 TYR 8 2HB TYR 8 6.932 3.284 0.412
66 HB3 TYR 8 1HB TYR 8 7.724 2.153 1.491
67 HD1 TYR 8 1HD TYR 8 8.206 5.440 -0.196
68 HD2 TYR 8 2HD TYR 8 9.263 2.927 3.063
69 HE1 TYR 8 1HE TYR 8 9.403 7.305 0.835
70 HE2 TYR 8 2HE TYR 8 10.465 4.774 4.111
71 HH TYR 8 HH TYR 8 10.111 7.971 3.117
72 H ARG 9 HN ARG 9 10.776 2.447 -1.668
73 HA ARG 9 HA ARG 9 12.952 1.949 -1.381
74 HB2 ARG 9 2HB ARG 9 12.289 1.537 1.539
75 HB3 ARG 9 1HB ARG 9 13.904 1.711 0.878
76 HG2 ARG 9 2HG ARG 9 13.222 4.004 0.119
77 HG3 ARG 9 1HG ARG 9 11.733 3.771 1.029
78 HD2 ARG 9 2HD ARG 9 13.159 3.264 3.034
79 HD3 ARG 9 1HD ARG 9 14.540 3.823 2.089
80 HE ARG 9 HE ARG 9 12.246 5.579 2.353
81 HH11 ARG 9 1HH1 ARG 9 15.658 4.989 3.147
82 HH12 ARG 9 2HH1 ARG 9 15.845 6.464 3.945
83 HH21 ARG 9 1HH2 ARG 9 12.510 7.535 3.478
84 HH22 ARG 9 2HH2 ARG 9 14.023 7.967 4.144
85 H GLY 10 HN GLY 10 10.918 -0.108 -1.852
86 HA2 GLY 10 2HA GLY 10 11.406 -2.357 -2.534
87 HA3 GLY 10 1HA GLY 10 12.609 -2.431 -1.250
88 H ILE 11 HN ILE 11 10.365 -0.994 0.348
89 HA ILE 11 HA ILE 11 9.287 -3.436 1.471
90 HB ILE 11 HB ILE 11 8.829 -0.559 2.318
91 HG12 ILE 11 2HG1 ILE 11 10.835 -2.482 3.497
92 HG13 ILE 11 1HG1 ILE 11 11.254 -1.271 2.288
93 HG21 ILE 11 1HG2 ILE 11 7.191 -2.145 3.203
94 HG22 ILE 11 2HG2 ILE 11 8.238 -1.556 4.494
95 HG23 ILE 11 3HG2 ILE 11 8.491 -3.165 3.817
96 HD11 ILE 11 1HD1 ILE 11 10.115 -0.727 5.023
97 HD12 ILE 11 2HD1 ILE 11 10.543 0.490 3.820
98 HD13 ILE 11 3HD1 ILE 11 11.799 -0.519 4.537
99 H CYS 12 HN CYS 12 7.729 -4.107 0.067
100 HA CYS 12 HA CYS 12 5.671 -2.195 -0.714
101 HB2 CYS 12 2HB CYS 12 6.036 -5.079 -1.540
102 HB3 CYS 12 1HB CYS 12 4.828 -3.954 -2.150
103 H TYR 13 HN TYR 13 3.957 -1.970 0.512
104 HA TYR 13 HA TYR 13 3.262 -4.227 2.196
105 HB2 TYR 13 2HB TYR 13 2.591 -2.582 3.948
106 HB3 TYR 13 1HB TYR 13 4.317 -2.643 3.639
107 HD1 TYR 13 1HD TYR 13 5.470 -0.727 2.649
108 HD2 TYR 13 2HD TYR 13 1.279 -0.596 3.389
109 HE1 TYR 13 1HE TYR 13 5.510 1.704 2.399
110 HE2 TYR 13 2HE TYR 13 1.309 1.842 3.134
111 HH TYR 13 HH TYR 13 3.937 3.543 1.843
112 H ARG 14 HN ARG 14 1.073 -4.136 2.955
113 HA ARG 14 HA ARG 14 -0.654 -3.496 0.730
114 HB2 ARG 14 2HB ARG 14 -0.667 -5.743 1.669
115 HB3 ARG 14 1HB ARG 14 -1.072 -5.097 3.248
116 HG2 ARG 14 2HG ARG 14 -3.211 -4.318 2.343
117 HG3 ARG 14 1HG ARG 14 -2.785 -5.042 0.785
118 HD2 ARG 14 2HD ARG 14 -2.562 -7.220 1.864
119 HD3 ARG 14 1HD ARG 14 -3.000 -6.497 3.410
120 HE ARG 14 HE ARG 14 -4.807 -6.451 1.116
121 HH11 ARG 14 1HH1 ARG 14 -4.152 -7.343 4.512
122 HH12 ARG 14 2HH1 ARG 14 -5.739 -7.813 4.843
123 HH21 ARG 14 1HH2 ARG 14 -7.030 -7.150 1.613
124 HH22 ARG 14 2HH2 ARG 14 -7.404 -7.726 3.172
125 H LYS 15 HN LYS 15 -1.096 -1.430 0.878
126 HA LYS 15 HA LYS 15 -2.003 -0.301 3.416
127 HB2 LYS 15 2HB LYS 15 -0.348 0.946 1.996
128 HB3 LYS 15 1HB LYS 15 -1.573 1.055 0.746
129 HG2 LYS 15 2HG LYS 15 -2.987 2.375 2.211
130 HG3 LYS 15 1HG LYS 15 -1.801 2.234 3.506
131 HD2 LYS 15 2HD LYS 15 -0.149 3.398 2.075
132 HD3 LYS 15 1HD LYS 15 -1.397 3.590 0.839
133 HE2 LYS 15 2HE LYS 15 -2.763 4.845 2.433
134 HE3 LYS 15 1HE LYS 15 -1.499 4.669 3.646
135 HZ1 LYS 15 1HZ LYS 15 -1.248 6.133 1.070
136 HZ2 LYS 15 2HZ LYS 15 -0.015 5.955 2.205
137 HZ3 LYS 15 3HZ LYS 15 -1.400 6.815 2.601
138 H CYS 16 HN CYS 16 -4.114 0.299 3.687
139 HA CYS 16 HA CYS 16 -5.888 -0.352 1.469
140 HB2 CYS 16 2HB CYS 16 -6.387 -0.837 4.412
141 HB3 CYS 16 1HB CYS 16 -7.576 -1.077 3.139
142 H ARG 17 HN ARG 17 -7.262 1.069 0.874
143 HA ARG 17 HA ARG 17 -7.631 3.513 2.453
144 HB2 ARG 17 2HB ARG 17 -6.589 3.753 0.178
145 HB3 ARG 17 1HB ARG 17 -8.027 3.028 -0.521
146 HG2 ARG 17 2HG ARG 17 -8.087 5.398 -0.813
147 HG3 ARG 17 1HG ARG 17 -9.328 4.937 0.352
148 HD2 ARG 17 2HD ARG 17 -7.942 5.649 2.187
149 HD3 ARG 17 1HD ARG 17 -6.592 5.957 1.094
150 HE ARG 17 HE ARG 17 -8.730 7.450 0.203
151 HH11 ARG 17 1HH1 ARG 17 -6.754 7.350 3.147
152 HH12 ARG 17 2HH1 ARG 17 -6.852 9.030 3.398
153 HH21 ARG 17 1HH2 ARG 17 -8.813 9.744 0.563
154 HH22 ARG 17 2HH2 ARG 17 -8.037 10.405 1.933
155 H GLY 18 HN GLY 18 -9.310 2.760 3.689
156 HA2 GLY 18 2HA GLY 18 -11.475 2.191 4.181
157 HA3 GLY 18 1HA GLY 18 -11.857 2.326 2.460
Start of MODEL 12
1 H1 LYS 1 HN LYS 1 -12.034 0.820 1.349
2 HA LYS 1 HA LYS 1 -11.523 -1.831 2.527
3 HB2 LYS 1 2HB LYS 1 -13.427 -2.688 1.218
4 HB3 LYS 1 1HB LYS 1 -13.920 -1.459 2.372
5 HG2 LYS 1 2HG LYS 1 -13.984 0.188 0.553
6 HG3 LYS 1 1HG LYS 1 -13.540 -1.083 -0.592
7 HD2 LYS 1 2HD LYS 1 -15.574 -2.303 -0.012
8 HD3 LYS 1 1HD LYS 1 -16.008 -1.037 1.138
9 HE2 LYS 1 2HE LYS 1 -17.241 -0.719 -0.913
10 HE3 LYS 1 1HE LYS 1 -16.079 0.588 -0.718
11 HZ1 LYS 1 1HZ LYS 1 -14.632 -0.520 -2.322
12 HZ2 LYS 1 2HZ LYS 1 -16.160 -0.237 -2.976
13 HZ3 LYS 1 3HZ LYS 1 -15.747 -1.789 -2.469
14 H TRP 2 HN TRP 2 -10.328 0.249 0.409
15 HA TRP 2 HA TRP 2 -9.888 -1.594 -1.821
16 HB2 TRP 2 2HB TRP 2 -10.504 0.844 -2.179
17 HB3 TRP 2 1HB TRP 2 -8.976 1.275 -1.439
18 HD1 TRP 2 1HD TRP 2 -7.418 -1.190 -3.201
19 HE1 TRP 2 1HE TRP 2 -6.830 -0.620 -5.630
20 HE3 TRP 2 3HE TRP 2 -10.622 2.735 -3.908
21 HZ2 TRP 2 2HZ TRP 2 -7.611 1.256 -7.597
22 HZ3 TRP 2 3HZ TRP 2 -10.628 3.863 -6.096
23 HH2 TRP 2 2HH TRP 2 -9.155 3.135 -7.895
24 H CYS 3 HN CYS 3 -8.139 -2.912 -1.599
25 HA CYS 3 HA CYS 3 -5.918 -1.913 0.026
26 HB2 CYS 3 2HB CYS 3 -6.784 -4.752 -0.520
27 HB3 CYS 3 1HB CYS 3 -5.313 -4.316 0.339
28 H PHE 4 HN PHE 4 -4.165 -1.391 -0.963
29 HA PHE 4 HA PHE 4 -3.547 -2.634 -3.530
30 HB2 PHE 4 2HB PHE 4 -2.687 -0.300 -4.203
31 HB3 PHE 4 1HB PHE 4 -4.425 -0.569 -4.219
32 HD1 PHE 4 1HD PHE 4 -5.868 0.685 -2.840
33 HD2 PHE 4 2HD PHE 4 -1.661 0.973 -2.303
34 HE1 PHE 4 1HE PHE 4 -6.199 2.601 -1.356
35 HE2 PHE 4 2HE PHE 4 -1.986 2.890 -0.806
36 HZ PHE 4 HZ PHE 4 -4.254 3.709 -0.325
37 H ARG 5 HN ARG 5 -1.290 -2.410 -4.153
38 HA ARG 5 HA ARG 5 0.424 -2.888 -1.864
39 HB2 ARG 5 2HB ARG 5 0.486 -4.483 -3.697
40 HB3 ARG 5 1HB ARG 5 0.831 -3.199 -4.836
41 HG2 ARG 5 2HG ARG 5 3.012 -2.844 -3.800
42 HG3 ARG 5 1HG ARG 5 2.668 -4.137 -2.644
43 HD2 ARG 5 2HD ARG 5 2.534 -5.758 -4.394
44 HD3 ARG 5 1HD ARG 5 2.623 -4.492 -5.620
45 HE ARG 5 HE ARG 5 4.931 -4.201 -4.251
46 HH11 ARG 5 1HH1 ARG 5 3.420 -7.040 -5.751
47 HH12 ARG 5 2HH1 ARG 5 4.872 -7.740 -6.260
48 HH21 ARG 5 1HH2 ARG 5 6.981 -5.163 -4.960
49 HH22 ARG 5 2HH2 ARG 5 6.956 -6.649 -5.786
50 H VAL 6 HN VAL 6 1.713 -1.419 -1.111
51 HA VAL 6 HA VAL 6 2.450 0.877 -2.803
52 HB VAL 6 HB VAL 6 2.397 0.785 0.230
53 HG11 VAL 6 1HG1 VAL 6 2.713 3.113 -1.662
54 HG12 VAL 6 2HG1 VAL 6 3.979 2.391 -0.672
55 HG13 VAL 6 3HG1 VAL 6 2.625 3.221 0.095
56 HG21 VAL 6 1HG2 VAL 6 0.118 0.615 -0.603
57 HG22 VAL 6 2HG2 VAL 6 0.372 2.030 -1.628
58 HG23 VAL 6 3HG2 VAL 6 0.394 2.192 0.129
59 H CYS 7 HN CYS 7 4.559 0.860 -3.314
60 HA CYS 7 HA CYS 7 6.333 -0.655 -1.557
61 HB2 CYS 7 2HB CYS 7 6.539 -0.180 -4.526
62 HB3 CYS 7 1HB CYS 7 7.802 -0.920 -3.546
63 H TYR 8 HN TYR 8 7.792 0.388 -0.550
64 HA TYR 8 HA TYR 8 8.722 2.963 -1.583
65 HB2 TYR 8 2HB TYR 8 6.966 3.322 0.095
66 HB3 TYR 8 1HB TYR 8 7.860 2.342 1.242
67 HD1 TYR 8 1HD TYR 8 7.890 5.517 -0.663
68 HD2 TYR 8 2HD TYR 8 9.609 3.347 2.560
69 HE1 TYR 8 1HE TYR 8 8.969 7.562 0.120
70 HE2 TYR 8 2HE TYR 8 10.704 5.385 3.360
71 HH TYR 8 HH TYR 8 9.837 8.458 2.269
72 H ARG 9 HN ARG 9 10.758 2.393 -2.050
73 HA ARG 9 HA ARG 9 12.963 1.849 -1.818
74 HB2 ARG 9 2HB ARG 9 12.428 1.852 1.156
75 HB3 ARG 9 1HB ARG 9 14.001 1.951 0.383
76 HG2 ARG 9 2HG ARG 9 13.268 4.145 -0.580
77 HG3 ARG 9 1HG ARG 9 11.810 3.998 0.393
78 HD2 ARG 9 2HD ARG 9 13.283 3.709 2.399
79 HD3 ARG 9 1HD ARG 9 14.639 4.162 1.368
80 HE ARG 9 HE ARG 9 12.561 6.041 1.183
81 HH11 ARG 9 1HH1 ARG 9 15.356 5.125 3.138
82 HH12 ARG 9 2HH1 ARG 9 15.357 6.525 4.082
83 HH21 ARG 9 1HH2 ARG 9 12.495 7.955 2.507
84 HH22 ARG 9 2HH2 ARG 9 13.689 8.203 3.708
85 H GLY 10 HN GLY 10 10.895 -0.216 -1.948
86 HA2 GLY 10 2HA GLY 10 11.391 -2.567 -2.272
87 HA3 GLY 10 1HA GLY 10 12.570 -2.398 -0.969
88 H ILE 11 HN ILE 11 10.373 -0.777 0.420
89 HA ILE 11 HA ILE 11 9.319 -3.051 1.850
90 HB ILE 11 HB ILE 11 8.814 -0.090 2.265
91 HG12 ILE 11 2HG1 ILE 11 10.756 -1.863 3.739
92 HG13 ILE 11 1HG1 ILE 11 11.219 -0.777 2.431
93 HG21 ILE 11 1HG2 ILE 11 7.129 -1.546 3.288
94 HG22 ILE 11 2HG2 ILE 11 8.112 -0.756 4.520
95 HG23 ILE 11 3HG2 ILE 11 8.400 -2.447 4.112
96 HD11 ILE 11 1HD1 ILE 11 9.971 0.024 5.061
97 HD12 ILE 11 2HD1 ILE 11 10.438 1.127 3.765
98 HD13 ILE 11 3HD1 ILE 11 11.670 0.199 4.620
99 H CYS 12 HN CYS 12 7.819 -3.980 0.552
100 HA CYS 12 HA CYS 12 5.711 -2.239 -0.424
101 HB2 CYS 12 2HB CYS 12 6.231 -5.155 -1.073
102 HB3 CYS 12 1HB CYS 12 4.958 -4.153 -1.760
103 H TYR 13 HN TYR 13 3.841 -2.159 0.570
104 HA TYR 13 HA TYR 13 3.081 -4.351 2.297
105 HB2 TYR 13 2HB TYR 13 2.306 -2.689 4.003
106 HB3 TYR 13 1HB TYR 13 4.050 -2.764 3.825
107 HD1 TYR 13 1HD TYR 13 5.258 -0.884 2.731
108 HD2 TYR 13 2HD TYR 13 1.084 -0.671 3.514
109 HE1 TYR 13 1HE TYR 13 5.344 1.537 2.460
110 HE2 TYR 13 2HE TYR 13 1.159 1.765 3.236
111 HH TYR 13 HH TYR 13 3.872 3.390 1.949
112 H ARG 14 HN ARG 14 0.773 -4.310 2.753
113 HA ARG 14 HA ARG 14 -0.633 -3.283 0.429
114 HB2 ARG 14 2HB ARG 14 -0.766 -5.726 1.409
115 HB3 ARG 14 1HB ARG 14 -1.897 -4.988 2.529
116 HG2 ARG 14 2HG ARG 14 -3.197 -5.874 0.784
117 HG3 ARG 14 1HG ARG 14 -3.146 -4.128 0.520
118 HD2 ARG 14 2HD ARG 14 -1.284 -4.459 -1.094
119 HD3 ARG 14 1HD ARG 14 -1.455 -6.197 -0.870
120 HE ARG 14 HE ARG 14 -3.928 -5.190 -1.623
121 HH11 ARG 14 1HH1 ARG 14 -0.771 -5.816 -3.028
122 HH12 ARG 14 2HH1 ARG 14 -1.322 -5.752 -4.640
123 HH21 ARG 14 1HH2 ARG 14 -4.679 -5.054 -3.804
124 HH22 ARG 14 2HH2 ARG 14 -3.608 -5.297 -5.096
125 H LYS 15 HN LYS 15 -1.128 -1.245 0.814
126 HA LYS 15 HA LYS 15 -2.177 -0.510 3.414
127 HB2 LYS 15 2HB LYS 15 -0.546 0.981 2.169
128 HB3 LYS 15 1HB LYS 15 -1.813 1.269 0.992
129 HG2 LYS 15 2HG LYS 15 -1.702 3.113 2.541
130 HG3 LYS 15 1HG LYS 15 -3.221 2.244 2.770
131 HD2 LYS 15 2HD LYS 15 -2.222 1.044 4.692
132 HD3 LYS 15 1HD LYS 15 -0.735 1.962 4.472
133 HE2 LYS 15 2HE LYS 15 -1.913 4.027 4.963
134 HE3 LYS 15 1HE LYS 15 -3.438 3.152 5.079
135 HZ1 LYS 15 1HZ LYS 15 -2.523 3.594 7.265
136 HZ2 LYS 15 2HZ LYS 15 -1.093 2.793 6.876
137 HZ3 LYS 15 3HZ LYS 15 -2.524 1.938 6.979
138 H CYS 16 HN CYS 16 -4.274 -0.118 3.766
139 HA CYS 16 HA CYS 16 -6.076 -0.566 1.509
140 HB2 CYS 16 2HB CYS 16 -6.480 -1.312 4.409
141 HB3 CYS 16 1HB CYS 16 -7.670 -1.515 3.132
142 H ARG 17 HN ARG 17 -6.922 1.248 0.933
143 HA ARG 17 HA ARG 17 -7.552 3.305 2.902
144 HB2 ARG 17 2HB ARG 17 -6.498 3.988 0.747
145 HB3 ARG 17 1HB ARG 17 -7.864 3.294 -0.116
146 HG2 ARG 17 2HG ARG 17 -8.089 5.693 -0.005
147 HG3 ARG 17 1HG ARG 17 -9.355 4.929 0.955
148 HD2 ARG 17 2HD ARG 17 -8.425 6.847 2.128
149 HD3 ARG 17 1HD ARG 17 -8.048 5.362 2.997
150 HE ARG 17 HE ARG 17 -6.013 6.107 1.163
151 HH11 ARG 17 1HH1 ARG 17 -7.237 6.902 4.391
152 HH12 ARG 17 2HH1 ARG 17 -5.712 7.336 5.013
153 HH21 ARG 17 1HH2 ARG 17 -3.952 6.777 1.995
154 HH22 ARG 17 2HH2 ARG 17 -3.816 7.346 3.598
155 H GLY 18 HN GLY 18 -9.371 2.827 3.942
156 HA2 GLY 18 2HA GLY 18 -11.561 2.328 4.317
157 HA3 GLY 18 1HA GLY 18 -11.836 2.534 2.586
Start of MODEL 13
1 H1 LYS 1 HN LYS 1 -11.701 1.405 1.288
2 HA LYS 1 HA LYS 1 -11.476 -1.287 2.451
3 HB2 LYS 1 2HB LYS 1 -13.335 -1.942 0.953
4 HB3 LYS 1 1HB LYS 1 -13.799 -0.698 2.107
5 HG2 LYS 1 2HG LYS 1 -13.633 0.994 0.412
6 HG3 LYS 1 1HG LYS 1 -13.053 -0.193 -0.760
7 HD2 LYS 1 2HD LYS 1 -15.179 -1.370 -0.612
8 HD3 LYS 1 1HD LYS 1 -15.744 -0.215 0.598
9 HE2 LYS 1 2HE LYS 1 -14.973 0.433 -2.246
10 HE3 LYS 1 1HE LYS 1 -16.616 0.319 -1.622
11 HZ1 LYS 1 1HZ LYS 1 -14.573 2.314 -0.770
12 HZ2 LYS 1 2HZ LYS 1 -16.073 2.149 -0.092
13 HZ3 LYS 1 3HZ LYS 1 -15.939 2.612 -1.712
14 H TRP 2 HN TRP 2 -10.203 0.786 0.192
15 HA TRP 2 HA TRP 2 -9.740 -1.170 -1.902
16 HB2 TRP 2 2HB TRP 2 -10.172 1.286 -2.372
17 HB3 TRP 2 1HB TRP 2 -8.639 1.640 -1.604
18 HD1 TRP 2 1HD TRP 2 -6.596 -0.196 -2.957
19 HE1 TRP 2 1HE TRP 2 -6.121 -0.100 -5.501
20 HE3 TRP 2 3HE TRP 2 -10.930 1.987 -4.532
21 HZ2 TRP 2 2HZ TRP 2 -7.399 0.784 -7.827
22 HZ3 TRP 2 3HZ TRP 2 -11.220 2.427 -6.932
23 HH2 TRP 2 2HH TRP 2 -9.486 1.840 -8.541
24 H CYS 3 HN CYS 3 -8.203 -2.646 -1.433
25 HA CYS 3 HA CYS 3 -5.850 -1.703 0.031
26 HB2 CYS 3 2HB CYS 3 -6.812 -4.519 -0.379
27 HB3 CYS 3 1HB CYS 3 -5.467 -4.022 0.638
28 H PHE 4 HN PHE 4 -4.032 -1.576 -0.998
29 HA PHE 4 HA PHE 4 -3.608 -3.155 -3.382
30 HB2 PHE 4 2HB PHE 4 -2.873 -1.231 -4.701
31 HB3 PHE 4 1HB PHE 4 -4.539 -1.016 -4.205
32 HD1 PHE 4 1HD PHE 4 -4.854 0.454 -2.001
33 HD2 PHE 4 2HD PHE 4 -1.400 0.509 -4.489
34 HE1 PHE 4 1HE PHE 4 -4.302 2.698 -1.173
35 HE2 PHE 4 2HE PHE 4 -0.841 2.761 -3.653
36 HZ PHE 4 HZ PHE 4 -2.286 3.852 -1.999
37 H ARG 5 HN ARG 5 -1.330 -3.040 -4.033
38 HA ARG 5 HA ARG 5 0.268 -3.206 -1.640
39 HB2 ARG 5 2HB ARG 5 0.352 -4.973 -3.404
40 HB3 ARG 5 1HB ARG 5 1.020 -3.782 -4.499
41 HG2 ARG 5 2HG ARG 5 2.989 -3.542 -3.130
42 HG3 ARG 5 1HG ARG 5 2.316 -4.647 -1.927
43 HD2 ARG 5 2HD ARG 5 2.933 -5.341 -4.790
44 HD3 ARG 5 1HD ARG 5 3.945 -5.751 -3.406
45 HE ARG 5 HE ARG 5 1.392 -6.731 -2.916
46 HH11 ARG 5 1HH1 ARG 5 3.984 -7.288 -5.263
47 HH12 ARG 5 2HH1 ARG 5 3.670 -8.947 -5.440
48 HH21 ARG 5 1HH2 ARG 5 0.923 -9.017 -3.197
49 HH22 ARG 5 2HH2 ARG 5 1.882 -9.945 -4.262
50 H VAL 6 HN VAL 6 1.493 -1.640 -0.978
51 HA VAL 6 HA VAL 6 2.228 0.474 -2.862
52 HB VAL 6 HB VAL 6 2.239 0.530 0.172
53 HG11 VAL 6 1HG1 VAL 6 2.685 2.757 -1.821
54 HG12 VAL 6 2HG1 VAL 6 3.916 2.009 -0.803
55 HG13 VAL 6 3HG1 VAL 6 2.607 2.936 -0.068
56 HG21 VAL 6 1HG2 VAL 6 0.320 1.810 -1.764
57 HG22 VAL 6 2HG2 VAL 6 0.323 2.030 -0.013
58 HG23 VAL 6 3HG2 VAL 6 -0.026 0.446 -0.704
59 H CYS 7 HN CYS 7 4.243 0.354 -3.532
60 HA CYS 7 HA CYS 7 6.198 -0.867 -1.742
61 HB2 CYS 7 2HB CYS 7 6.248 -0.537 -4.748
62 HB3 CYS 7 1HB CYS 7 7.619 -1.099 -3.798
63 H TYR 8 HN TYR 8 7.423 0.402 -0.778
64 HA TYR 8 HA TYR 8 8.252 2.960 -1.940
65 HB2 TYR 8 2HB TYR 8 6.239 3.453 -0.683
66 HB3 TYR 8 1HB TYR 8 6.860 2.571 0.704
67 HD1 TYR 8 1HD TYR 8 8.259 3.679 2.293
68 HD2 TYR 8 2HD TYR 8 7.323 5.613 -1.376
69 HE1 TYR 8 1HE TYR 8 9.186 5.752 3.166
70 HE2 TYR 8 2HE TYR 8 8.253 7.708 -0.521
71 HH TYR 8 HH TYR 8 8.681 8.760 1.692
72 H ARG 9 HN ARG 9 10.398 2.968 -1.777
73 HA ARG 9 HA ARG 9 12.528 2.689 -1.083
74 HB2 ARG 9 2HB ARG 9 11.267 2.611 1.663
75 HB3 ARG 9 1HB ARG 9 12.993 2.727 1.373
76 HG2 ARG 9 2HG ARG 9 12.519 4.862 0.109
77 HG3 ARG 9 1HG ARG 9 10.868 4.731 0.696
78 HD2 ARG 9 2HD ARG 9 11.645 4.764 3.000
79 HD3 ARG 9 1HD ARG 9 13.316 4.859 2.440
80 HE ARG 9 HE ARG 9 11.985 6.950 1.265
81 HH11 ARG 9 1HH1 ARG 9 12.778 5.977 4.574
82 HH12 ARG 9 2HH1 ARG 9 12.740 7.570 5.186
83 HH21 ARG 9 1HH2 ARG 9 11.979 9.142 2.130
84 HH22 ARG 9 2HH2 ARG 9 12.324 9.380 3.771
85 H GLY 10 HN GLY 10 10.925 0.389 -1.741
86 HA2 GLY 10 2HA GLY 10 11.693 -1.806 -2.097
87 HA3 GLY 10 1HA GLY 10 12.754 -1.629 -0.703
88 H ILE 11 HN ILE 11 10.033 -0.415 0.405
89 HA ILE 11 HA ILE 11 9.291 -2.885 1.763
90 HB ILE 11 HB ILE 11 8.220 -0.089 2.208
91 HG12 ILE 11 2HG1 ILE 11 10.461 -1.388 3.754
92 HG13 ILE 11 1HG1 ILE 11 10.733 -0.278 2.414
93 HG21 ILE 11 1HG2 ILE 11 7.622 -0.939 4.410
94 HG22 ILE 11 2HG2 ILE 11 8.358 -2.494 4.031
95 HG23 ILE 11 3HG2 ILE 11 6.921 -1.969 3.157
96 HD11 ILE 11 1HD1 ILE 11 10.906 0.869 4.567
97 HD12 ILE 11 2HD1 ILE 11 9.267 0.360 4.976
98 HD13 ILE 11 3HD1 ILE 11 9.537 1.478 3.640
99 H CYS 12 HN CYS 12 7.775 -4.003 0.685
100 HA CYS 12 HA CYS 12 5.644 -2.467 -0.565
101 HB2 CYS 12 2HB CYS 12 6.446 -5.353 -1.072
102 HB3 CYS 12 1HB CYS 12 5.096 -4.492 -1.814
103 H TYR 13 HN TYR 13 3.815 -2.376 0.504
104 HA TYR 13 HA TYR 13 3.118 -4.587 2.246
105 HB2 TYR 13 2HB TYR 13 2.332 -2.931 3.963
106 HB3 TYR 13 1HB TYR 13 4.074 -2.993 3.764
107 HD1 TYR 13 1HD TYR 13 5.179 -1.136 2.383
108 HD2 TYR 13 2HD TYR 13 1.163 -0.880 3.767
109 HE1 TYR 13 1HE TYR 13 5.257 1.280 2.104
110 HE2 TYR 13 2HE TYR 13 1.224 1.560 3.481
111 HH TYR 13 HH TYR 13 3.612 3.172 1.744
112 H ARG 14 HN ARG 14 0.954 -4.866 2.567
113 HA ARG 14 HA ARG 14 -0.672 -3.916 0.393
114 HB2 ARG 14 2HB ARG 14 -0.684 -6.291 1.029
115 HB3 ARG 14 1HB ARG 14 -1.203 -5.863 2.645
116 HG2 ARG 14 2HG ARG 14 -3.338 -5.093 1.780
117 HG3 ARG 14 1HG ARG 14 -2.802 -5.435 0.133
118 HD2 ARG 14 2HD ARG 14 -2.602 -7.758 0.594
119 HD3 ARG 14 1HD ARG 14 -2.916 -7.509 2.310
120 HE ARG 14 HE ARG 14 -5.159 -6.639 1.425
121 HH11 ARG 14 1HH1 ARG 14 -3.381 -9.388 0.077
122 HH12 ARG 14 2HH1 ARG 14 -4.771 -10.202 -0.470
123 HH21 ARG 14 1HH2 ARG 14 -7.061 -7.756 0.667
124 HH22 ARG 14 2HH2 ARG 14 -6.925 -9.258 -0.108
125 H LYS 15 HN LYS 15 -1.228 -1.923 0.720
126 HA LYS 15 HA LYS 15 -2.053 -0.983 3.350
127 HB2 LYS 15 2HB LYS 15 -0.467 0.386 2.094
128 HB3 LYS 15 1HB LYS 15 -1.611 0.507 0.766
129 HG2 LYS 15 2HG LYS 15 -3.172 1.696 2.243
130 HG3 LYS 15 1HG LYS 15 -1.979 1.615 3.534
131 HD2 LYS 15 2HD LYS 15 -0.416 2.909 2.155
132 HD3 LYS 15 1HD LYS 15 -1.629 2.993 0.875
133 HE2 LYS 15 2HE LYS 15 -1.646 5.049 2.151
134 HE3 LYS 15 1HE LYS 15 -3.147 4.167 2.416
135 HZ1 LYS 15 1HZ LYS 15 -2.303 5.031 4.491
136 HZ2 LYS 15 2HZ LYS 15 -0.821 4.302 4.247
137 HZ3 LYS 15 3HZ LYS 15 -2.172 3.348 4.533
138 H CYS 16 HN CYS 16 -4.081 -0.526 3.847
139 HA CYS 16 HA CYS 16 -6.087 -0.776 1.745
140 HB2 CYS 16 2HB CYS 16 -6.317 -1.312 4.704
141 HB3 CYS 16 1HB CYS 16 -7.691 -1.280 3.603
142 H ARG 17 HN ARG 17 -6.691 1.021 1.052
143 HA ARG 17 HA ARG 17 -6.893 3.372 2.764
144 HB2 ARG 17 2HB ARG 17 -5.696 3.637 0.640
145 HB3 ARG 17 1HB ARG 17 -7.062 2.973 -0.237
146 HG2 ARG 17 2HG ARG 17 -8.408 4.912 0.426
147 HG3 ARG 17 1HG ARG 17 -7.001 5.587 1.257
148 HD2 ARG 17 2HD ARG 17 -7.258 6.562 -0.960
149 HD3 ARG 17 1HD ARG 17 -5.773 5.616 -0.841
150 HE ARG 17 HE ARG 17 -8.178 4.411 -1.992
151 HH11 ARG 17 1HH1 ARG 17 -4.890 5.634 -2.474
152 HH12 ARG 17 2HH1 ARG 17 -4.663 4.926 -3.993
153 HH21 ARG 17 1HH2 ARG 17 -7.895 3.418 -4.116
154 HH22 ARG 17 2HH2 ARG 17 -6.429 3.605 -4.953
155 H GLY 18 HN GLY 18 -8.719 2.835 3.896
156 HA2 GLY 18 2HA GLY 18 -10.978 2.807 4.258
157 HA3 GLY 18 1HA GLY 18 -11.227 3.057 2.527
Start of MODEL 14
1 H1 LYS 1 HN LYS 1 -12.275 0.980 0.870
2 HA LYS 1 HA LYS 1 -11.930 -1.479 2.408
3 HB2 LYS 1 2HB LYS 1 -13.643 -0.853 0.016
4 HB3 LYS 1 1HB LYS 1 -13.533 -2.417 0.808
5 HG2 LYS 1 2HG LYS 1 -14.461 0.109 2.114
6 HG3 LYS 1 1HG LYS 1 -15.521 -1.118 1.434
7 HD2 LYS 1 2HD LYS 1 -14.405 -2.767 3.005
8 HD3 LYS 1 1HD LYS 1 -13.590 -1.395 3.747
9 HE2 LYS 1 2HE LYS 1 -15.541 -1.996 5.040
10 HE3 LYS 1 1HE LYS 1 -15.771 -0.412 4.301
11 HZ1 LYS 1 1HZ LYS 1 -17.120 -1.431 2.595
12 HZ2 LYS 1 2HZ LYS 1 -17.752 -1.797 4.096
13 HZ3 LYS 1 3HZ LYS 1 -16.881 -2.963 3.241
14 H TRP 2 HN TRP 2 -10.504 0.338 -0.046
15 HA TRP 2 HA TRP 2 -9.817 -1.929 -1.716
16 HB2 TRP 2 2HB TRP 2 -10.412 0.347 -2.660
17 HB3 TRP 2 1HB TRP 2 -8.920 0.952 -1.960
18 HD1 TRP 2 1HD TRP 2 -6.623 -0.536 -2.928
19 HE1 TRP 2 1HE TRP 2 -6.131 -1.153 -5.383
20 HE3 TRP 2 3HE TRP 2 -11.342 -0.095 -4.841
21 HZ2 TRP 2 2HZ TRP 2 -7.554 -1.412 -7.807
22 HZ3 TRP 2 3HZ TRP 2 -11.685 -0.541 -7.236
23 HH2 TRP 2 2HH TRP 2 -9.826 -1.184 -8.680
24 H CYS 3 HN CYS 3 -8.056 -3.053 -1.339
25 HA CYS 3 HA CYS 3 -5.942 -1.820 0.264
26 HB2 CYS 3 2HB CYS 3 -6.670 -4.716 -0.106
27 HB3 CYS 3 1HB CYS 3 -5.241 -4.169 0.769
28 H PHE 4 HN PHE 4 -4.135 -1.345 -0.732
29 HA PHE 4 HA PHE 4 -3.567 -2.761 -3.200
30 HB2 PHE 4 2HB PHE 4 -2.874 -0.642 -4.276
31 HB3 PHE 4 1HB PHE 4 -4.583 -0.660 -3.887
32 HD1 PHE 4 1HD PHE 4 -1.530 1.124 -3.644
33 HD2 PHE 4 2HD PHE 4 -5.286 0.592 -1.717
34 HE1 PHE 4 1HE PHE 4 -1.267 3.298 -2.530
35 HE2 PHE 4 2HE PHE 4 -5.025 2.757 -0.601
36 HZ PHE 4 HZ PHE 4 -3.015 4.119 -1.005
37 H ARG 5 HN ARG 5 -1.313 -2.417 -3.881
38 HA ARG 5 HA ARG 5 0.307 -2.799 -1.513
39 HB2 ARG 5 2HB ARG 5 0.318 -4.432 -3.406
40 HB3 ARG 5 1HB ARG 5 1.064 -3.190 -4.397
41 HG2 ARG 5 2HG ARG 5 2.950 -3.089 -2.842
42 HG3 ARG 5 1HG ARG 5 2.217 -4.378 -1.886
43 HD2 ARG 5 2HD ARG 5 3.866 -5.351 -3.311
44 HD3 ARG 5 1HD ARG 5 2.273 -5.810 -3.912
45 HE ARG 5 HE ARG 5 2.822 -3.622 -5.351
46 HH11 ARG 5 1HH1 ARG 5 4.683 -6.567 -4.740
47 HH12 ARG 5 2HH1 ARG 5 5.592 -6.463 -6.175
48 HH21 ARG 5 1HH2 ARG 5 4.026 -3.471 -7.312
49 HH22 ARG 5 2HH2 ARG 5 5.178 -4.656 -7.700
50 H VAL 6 HN VAL 6 1.603 -1.319 -0.786
51 HA VAL 6 HA VAL 6 2.366 0.909 -2.540
52 HB VAL 6 HB VAL 6 2.308 0.839 0.500
53 HG11 VAL 6 1HG1 VAL 6 4.010 2.351 -0.383
54 HG12 VAL 6 2HG1 VAL 6 2.694 3.255 0.364
55 HG13 VAL 6 3HG1 VAL 6 2.795 3.138 -1.392
56 HG21 VAL 6 1HG2 VAL 6 0.053 0.811 -0.425
57 HG22 VAL 6 2HG2 VAL 6 0.434 2.223 -1.412
58 HG23 VAL 6 3HG2 VAL 6 0.400 2.359 0.348
59 H CYS 7 HN CYS 7 4.439 0.944 -3.069
60 HA CYS 7 HA CYS 7 6.274 -0.669 -1.474
61 HB2 CYS 7 2HB CYS 7 6.418 0.086 -4.401
62 HB3 CYS 7 1HB CYS 7 7.688 -0.755 -3.516
63 H TYR 8 HN TYR 8 7.577 0.360 -0.307
64 HA TYR 8 HA TYR 8 8.459 3.059 -1.055
65 HB2 TYR 8 2HB TYR 8 6.891 3.252 0.761
66 HB3 TYR 8 1HB TYR 8 7.685 1.961 1.649
67 HD1 TYR 8 1HD TYR 8 8.320 5.383 0.294
68 HD2 TYR 8 2HD TYR 8 9.264 2.489 3.263
69 HE1 TYR 8 1HE TYR 8 9.683 7.041 1.468
70 HE2 TYR 8 2HE TYR 8 10.625 4.133 4.448
71 HH TYR 8 HH TYR 8 10.541 7.455 3.686
72 H ARG 9 HN ARG 9 10.466 2.764 -1.726
73 HA ARG 9 HA ARG 9 12.670 2.306 -1.766
74 HB2 ARG 9 2HB ARG 9 12.377 1.895 1.221
75 HB3 ARG 9 1HB ARG 9 13.878 2.205 0.360
76 HG2 ARG 9 2HG ARG 9 13.011 4.416 -0.302
77 HG3 ARG 9 1HG ARG 9 11.555 4.100 0.642
78 HD2 ARG 9 2HD ARG 9 13.058 5.442 1.945
79 HD3 ARG 9 1HD ARG 9 12.981 3.826 2.644
80 HE ARG 9 HE ARG 9 15.085 4.148 0.756
81 HH11 ARG 9 1HH1 ARG 9 14.245 4.491 4.178
82 HH12 ARG 9 2HH1 ARG 9 15.874 4.552 4.678
83 HH21 ARG 9 1HH2 ARG 9 17.284 4.226 1.478
84 HH22 ARG 9 2HH2 ARG 9 17.625 4.408 3.135
85 H GLY 10 HN GLY 10 10.756 0.172 -2.077
86 HA2 GLY 10 2HA GLY 10 11.284 -2.023 -2.843
87 HA3 GLY 10 1HA GLY 10 12.552 -2.086 -1.623
88 H ILE 11 HN ILE 11 10.440 -0.846 0.230
89 HA ILE 11 HA ILE 11 9.550 -3.383 1.284
90 HB ILE 11 HB ILE 11 9.024 -0.562 2.274
91 HG12 ILE 11 2HG1 ILE 11 11.128 -2.500 3.246
92 HG13 ILE 11 1HG1 ILE 11 11.449 -1.219 2.080
93 HG21 ILE 11 1HG2 ILE 11 7.465 -2.229 3.172
94 HG22 ILE 11 2HG2 ILE 11 8.556 -1.639 4.426
95 HG23 ILE 11 3HG2 ILE 11 8.824 -3.223 3.698
96 HD11 ILE 11 1HD1 ILE 11 10.796 0.444 3.738
97 HD12 ILE 11 2HD1 ILE 11 12.116 -0.567 4.334
98 HD13 ILE 11 3HD1 ILE 11 10.466 -0.836 4.907
99 H CYS 12 HN CYS 12 7.780 -4.217 0.336
100 HA CYS 12 HA CYS 12 5.693 -2.362 -0.544
101 HB2 CYS 12 2HB CYS 12 6.168 -5.208 -1.460
102 HB3 CYS 12 1HB CYS 12 4.893 -4.120 -1.999
103 H TYR 13 HN TYR 13 4.012 -2.189 0.694
104 HA TYR 13 HA TYR 13 3.222 -4.514 2.250
105 HB2 TYR 13 2HB TYR 13 2.506 -2.918 4.047
106 HB3 TYR 13 1HB TYR 13 4.240 -3.009 3.812
107 HD1 TYR 13 1HD TYR 13 1.246 -0.833 3.454
108 HD2 TYR 13 2HD TYR 13 5.489 -1.078 3.005
109 HE1 TYR 13 1HE TYR 13 1.375 1.590 3.305
110 HE2 TYR 13 2HE TYR 13 5.602 1.365 2.842
111 HH TYR 13 HH TYR 13 4.159 3.280 2.315
112 H ARG 14 HN ARG 14 1.048 -4.790 2.523
113 HA ARG 14 HA ARG 14 -0.581 -3.562 0.482
114 HB2 ARG 14 2HB ARG 14 -0.769 -5.966 0.800
115 HB3 ARG 14 1HB ARG 14 -1.152 -5.727 2.494
116 HG2 ARG 14 2HG ARG 14 -3.258 -4.671 1.890
117 HG3 ARG 14 1HG ARG 14 -2.879 -4.864 0.177
118 HD2 ARG 14 2HD ARG 14 -3.169 -7.100 2.178
119 HD3 ARG 14 1HD ARG 14 -4.393 -6.625 0.996
120 HE ARG 14 HE ARG 14 -2.448 -7.084 -0.631
121 HH11 ARG 14 1HH1 ARG 14 -3.257 -9.028 2.204
122 HH12 ARG 14 2HH1 ARG 14 -2.655 -10.486 1.564
123 HH21 ARG 14 1HH2 ARG 14 -1.649 -9.074 -1.530
124 HH22 ARG 14 2HH2 ARG 14 -1.737 -10.513 -0.622
125 H LYS 15 HN LYS 15 -1.028 -1.625 1.026
126 HA LYS 15 HA LYS 15 -1.997 -0.963 3.702
127 HB2 LYS 15 2HB LYS 15 -0.118 0.333 2.694
128 HB3 LYS 15 1HB LYS 15 -1.160 0.773 1.370
129 HG2 LYS 15 2HG LYS 15 -1.898 1.546 4.157
130 HG3 LYS 15 1HG LYS 15 -0.682 2.460 3.267
131 HD2 LYS 15 2HD LYS 15 -2.251 2.820 1.477
132 HD3 LYS 15 1HD LYS 15 -3.466 1.878 2.350
133 HE2 LYS 15 2HE LYS 15 -2.199 4.435 3.352
134 HE3 LYS 15 1HE LYS 15 -3.776 4.321 2.579
135 HZ1 LYS 15 1HZ LYS 15 -4.541 2.920 4.360
136 HZ2 LYS 15 2HZ LYS 15 -3.976 4.380 4.964
137 HZ3 LYS 15 3HZ LYS 15 -3.035 2.982 5.133
138 H CYS 16 HN CYS 16 -4.090 -0.091 3.977
139 HA CYS 16 HA CYS 16 -5.784 -0.493 1.632
140 HB2 CYS 16 2HB CYS 16 -6.508 -0.910 4.533
141 HB3 CYS 16 1HB CYS 16 -7.578 -1.160 3.156
142 H ARG 17 HN ARG 17 -7.293 0.909 1.107
143 HA ARG 17 HA ARG 17 -7.573 3.410 2.623
144 HB2 ARG 17 2HB ARG 17 -6.262 3.795 0.601
145 HB3 ARG 17 1HB ARG 17 -7.455 2.950 -0.369
146 HG2 ARG 17 2HG ARG 17 -9.093 4.715 0.154
147 HG3 ARG 17 1HG ARG 17 -7.851 5.569 1.071
148 HD2 ARG 17 2HD ARG 17 -7.684 4.873 -1.858
149 HD3 ARG 17 1HD ARG 17 -8.121 6.454 -1.215
150 HE ARG 17 HE ARG 17 -5.751 5.988 -0.052
151 HH11 ARG 17 1HH1 ARG 17 -6.740 5.771 -3.439
152 HH12 ARG 17 2HH1 ARG 17 -5.244 6.265 -4.055
153 HH21 ARG 17 1HH2 ARG 17 -3.692 6.650 -0.886
154 HH22 ARG 17 2HH2 ARG 17 -3.457 6.804 -2.568
155 H GLY 18 HN GLY 18 -9.582 3.224 3.475
156 HA2 GLY 18 2HA GLY 18 -11.833 2.870 3.596
157 HA3 GLY 18 1HA GLY 18 -11.858 2.853 1.830
Start of MODEL 15
1 H1 LYS 1 HN LYS 1 -12.038 1.162 1.110
2 HA LYS 1 HA LYS 1 -12.059 -1.486 2.390
3 HB2 LYS 1 2HB LYS 1 -13.914 -2.120 0.887
4 HB3 LYS 1 1HB LYS 1 -14.339 -0.818 1.987
5 HG2 LYS 1 2HG LYS 1 -14.158 0.804 0.221
6 HG3 LYS 1 1HG LYS 1 -13.543 -0.418 -0.893
7 HD2 LYS 1 2HD LYS 1 -15.892 0.018 -1.340
8 HD3 LYS 1 1HD LYS 1 -15.682 -1.618 -0.725
9 HE2 LYS 1 2HE LYS 1 -17.633 -0.591 0.275
10 HE3 LYS 1 1HE LYS 1 -16.406 -0.859 1.505
11 HZ1 LYS 1 1HZ LYS 1 -16.888 1.732 0.142
12 HZ2 LYS 1 2HZ LYS 1 -15.872 1.473 1.469
13 HZ3 LYS 1 3HZ LYS 1 -17.521 1.325 1.631
14 H TRP 2 HN TRP 2 -10.340 0.294 0.253
15 HA TRP 2 HA TRP 2 -10.003 -1.980 -1.537
16 HB2 TRP 2 2HB TRP 2 -10.639 0.297 -2.515
17 HB3 TRP 2 1HB TRP 2 -9.027 0.821 -2.057
18 HD1 TRP 2 1HD TRP 2 -6.952 -0.648 -3.206
19 HE1 TRP 2 1HE TRP 2 -6.779 -1.616 -5.590
20 HE3 TRP 2 3HE TRP 2 -11.897 -0.662 -4.413
21 HZ2 TRP 2 2HZ TRP 2 -8.518 -2.292 -7.693
22 HZ3 TRP 2 3HZ TRP 2 -12.563 -1.490 -6.634
23 HH2 TRP 2 2HH TRP 2 -10.900 -2.288 -8.233
24 H CYS 3 HN CYS 3 -8.159 -3.062 -1.393
25 HA CYS 3 HA CYS 3 -5.967 -1.831 0.100
26 HB2 CYS 3 2HB CYS 3 -6.664 -4.732 -0.273
27 HB3 CYS 3 1HB CYS 3 -5.210 -4.159 0.541
28 H PHE 4 HN PHE 4 -4.111 -1.528 -0.843
29 HA PHE 4 HA PHE 4 -3.586 -2.776 -3.414
30 HB2 PHE 4 2HB PHE 4 -2.694 -0.492 -4.163
31 HB3 PHE 4 1HB PHE 4 -4.441 -0.679 -4.097
32 HD1 PHE 4 1HD PHE 4 -5.756 0.737 -2.749
33 HD2 PHE 4 2HD PHE 4 -1.533 0.746 -2.308
34 HE1 PHE 4 1HE PHE 4 -5.927 2.700 -1.325
35 HE2 PHE 4 2HE PHE 4 -1.700 2.733 -0.877
36 HZ PHE 4 HZ PHE 4 -3.896 3.707 -0.373
37 H ARG 5 HN ARG 5 -1.244 -2.343 -4.021
38 HA ARG 5 HA ARG 5 0.303 -2.766 -1.580
39 HB2 ARG 5 2HB ARG 5 0.334 -4.579 -3.237
40 HB3 ARG 5 1HB ARG 5 1.013 -3.479 -4.428
41 HG2 ARG 5 2HG ARG 5 3.010 -3.211 -3.060
42 HG3 ARG 5 1HG ARG 5 2.326 -4.274 -1.832
43 HD2 ARG 5 2HD ARG 5 3.887 -5.516 -3.191
44 HD3 ARG 5 1HD ARG 5 2.252 -6.092 -3.504
45 HE ARG 5 HE ARG 5 2.964 -4.076 -5.333
46 HH11 ARG 5 1HH1 ARG 5 3.723 -7.470 -4.641
47 HH12 ARG 5 2HH1 ARG 5 3.989 -7.879 -6.275
48 HH21 ARG 5 1HH2 ARG 5 3.417 -4.626 -7.529
49 HH22 ARG 5 2HH2 ARG 5 3.844 -6.226 -7.952
50 H VAL 6 HN VAL 6 1.595 -1.274 -0.923
51 HA VAL 6 HA VAL 6 2.439 0.831 -2.784
52 HB VAL 6 HB VAL 6 2.349 0.873 0.251
53 HG11 VAL 6 1HG1 VAL 6 4.146 2.264 -0.607
54 HG12 VAL 6 2HG1 VAL 6 2.847 3.275 0.027
55 HG13 VAL 6 3HG1 VAL 6 3.029 3.054 -1.714
56 HG21 VAL 6 1HG2 VAL 6 0.598 2.273 -1.760
57 HG22 VAL 6 2HG2 VAL 6 0.540 2.489 -0.009
58 HG23 VAL 6 3HG2 VAL 6 0.125 0.931 -0.719
59 H CYS 7 HN CYS 7 4.534 0.833 -3.295
60 HA CYS 7 HA CYS 7 6.307 -0.714 -1.578
61 HB2 CYS 7 2HB CYS 7 6.532 -0.124 -4.535
62 HB3 CYS 7 1HB CYS 7 7.783 -0.917 -3.577
63 H TYR 8 HN TYR 8 7.600 0.344 -0.424
64 HA TYR 8 HA TYR 8 8.511 3.011 -1.243
65 HB2 TYR 8 2HB TYR 8 6.837 3.312 0.457
66 HB3 TYR 8 1HB TYR 8 7.546 2.050 1.451
67 HD1 TYR 8 1HD TYR 8 8.332 5.397 -0.000
68 HD2 TYR 8 2HD TYR 8 9.017 2.634 3.160
69 HE1 TYR 8 1HE TYR 8 9.595 7.096 1.204
70 HE2 TYR 8 2HE TYR 8 10.292 4.322 4.374
71 HH TYR 8 HH TYR 8 10.248 7.600 3.513
72 H ARG 9 HN ARG 9 10.571 2.724 -1.707
73 HA ARG 9 HA ARG 9 12.752 2.306 -1.556
74 HB2 ARG 9 2HB ARG 9 12.197 2.076 1.409
75 HB3 ARG 9 1HB ARG 9 13.801 2.191 0.697
76 HG2 ARG 9 2HG ARG 9 13.073 4.392 -0.300
77 HG3 ARG 9 1HG ARG 9 11.625 4.253 0.674
78 HD2 ARG 9 2HD ARG 9 12.892 4.269 2.713
79 HD3 ARG 9 1HD ARG 9 14.414 4.222 1.819
80 HE ARG 9 HE ARG 9 12.843 6.441 1.039
81 HH11 ARG 9 1HH1 ARG 9 14.883 5.398 3.755
82 HH12 ARG 9 2HH1 ARG 9 15.401 6.979 4.119
83 HH21 ARG 9 1HH2 ARG 9 13.540 8.579 1.594
84 HH22 ARG 9 2HH2 ARG 9 14.606 8.814 2.909
85 H GLY 10 HN GLY 10 10.917 0.091 -1.942
86 HA2 GLY 10 2HA GLY 10 11.569 -2.108 -2.603
87 HA3 GLY 10 1HA GLY 10 12.817 -2.075 -1.364
88 H ILE 11 HN ILE 11 10.387 -0.818 0.223
89 HA ILE 11 HA ILE 11 9.560 -3.357 1.395
90 HB ILE 11 HB ILE 11 8.945 -0.522 2.276
91 HG12 ILE 11 2HG1 ILE 11 11.073 -2.344 3.396
92 HG13 ILE 11 1HG1 ILE 11 11.397 -1.108 2.184
93 HG21 ILE 11 1HG2 ILE 11 8.781 -3.151 3.765
94 HG22 ILE 11 2HG2 ILE 11 7.412 -2.208 3.179
95 HG23 ILE 11 3HG2 ILE 11 8.448 -1.561 4.451
96 HD11 ILE 11 1HD1 ILE 11 11.946 -0.332 4.410
97 HD12 ILE 11 2HD1 ILE 11 10.286 -0.635 4.938
98 HD13 ILE 11 3HD1 ILE 11 10.618 0.604 3.727
99 H CYS 12 HN CYS 12 7.809 -4.198 0.435
100 HA CYS 12 HA CYS 12 5.761 -2.357 -0.546
101 HB2 CYS 12 2HB CYS 12 6.226 -5.257 -1.284
102 HB3 CYS 12 1HB CYS 12 4.941 -4.221 -1.904
103 H TYR 13 HN TYR 13 3.972 -2.155 0.564
104 HA TYR 13 HA TYR 13 3.227 -4.345 2.317
105 HB2 TYR 13 2HB TYR 13 2.521 -2.686 4.033
106 HB3 TYR 13 1HB TYR 13 4.252 -2.717 3.765
107 HD1 TYR 13 1HD TYR 13 5.331 -0.804 2.528
108 HD2 TYR 13 2HD TYR 13 1.238 -0.710 3.687
109 HE1 TYR 13 1HE TYR 13 5.317 1.636 2.263
110 HE2 TYR 13 2HE TYR 13 1.213 1.725 3.420
111 HH TYR 13 HH TYR 13 3.635 3.449 1.839
112 H ARG 14 HN ARG 14 1.027 -4.439 2.835
113 HA ARG 14 HA ARG 14 -0.621 -3.715 0.562
114 HB2 ARG 14 2HB ARG 14 -0.521 -6.046 1.566
115 HB3 ARG 14 1HB ARG 14 -1.288 -5.381 2.991
116 HG2 ARG 14 2HG ARG 14 -2.944 -6.486 1.700
117 HG3 ARG 14 1HG ARG 14 -3.229 -4.751 1.574
118 HD2 ARG 14 2HD ARG 14 -2.243 -4.700 -0.626
119 HD3 ARG 14 1HD ARG 14 -1.745 -6.389 -0.485
120 HE ARG 14 HE ARG 14 -4.499 -6.189 -0.079
121 HH11 ARG 14 1HH1 ARG 14 -2.140 -6.161 -2.760
122 HH12 ARG 14 2HH1 ARG 14 -3.312 -6.549 -3.921
123 HH21 ARG 14 1HH2 ARG 14 -6.054 -6.748 -1.706
124 HH22 ARG 14 2HH2 ARG 14 -5.574 -6.861 -3.334
125 H LYS 15 HN LYS 15 -1.044 -1.609 0.864
126 HA LYS 15 HA LYS 15 -2.011 -0.631 3.437
127 HB2 LYS 15 2HB LYS 15 -0.323 0.660 2.108
128 HB3 LYS 15 1HB LYS 15 -1.533 0.868 0.856
129 HG2 LYS 15 2HG LYS 15 -2.929 2.139 2.417
130 HG3 LYS 15 1HG LYS 15 -1.706 1.926 3.671
131 HD2 LYS 15 2HD LYS 15 -0.073 3.103 2.259
132 HD3 LYS 15 1HD LYS 15 -1.319 3.338 1.037
133 HE2 LYS 15 2HE LYS 15 -1.062 5.351 2.351
134 HE3 LYS 15 1HE LYS 15 -2.637 4.622 2.651
135 HZ1 LYS 15 1HZ LYS 15 -0.273 4.310 4.408
136 HZ2 LYS 15 2HZ LYS 15 -1.823 3.755 4.751
137 HZ3 LYS 15 3HZ LYS 15 -1.512 5.398 4.672
138 H CYS 16 HN CYS 16 -4.091 0.107 3.721
139 HA CYS 16 HA CYS 16 -5.934 -0.494 1.525
140 HB2 CYS 16 2HB CYS 16 -6.378 -1.038 4.464
141 HB3 CYS 16 1HB CYS 16 -7.553 -1.306 3.182
142 H ARG 17 HN ARG 17 -7.207 1.079 0.962
143 HA ARG 17 HA ARG 17 -7.546 3.343 2.793
144 HB2 ARG 17 2HB ARG 17 -6.362 3.854 0.648
145 HB3 ARG 17 1HB ARG 17 -7.764 3.265 -0.226
146 HG2 ARG 17 2HG ARG 17 -9.120 5.070 0.681
147 HG3 ARG 17 1HG ARG 17 -7.743 5.646 1.625
148 HD2 ARG 17 2HD ARG 17 -6.491 6.036 -0.449
149 HD3 ARG 17 1HD ARG 17 -7.869 5.476 -1.388
150 HE ARG 17 HE ARG 17 -8.655 7.576 0.301
151 HH11 ARG 17 1HH1 ARG 17 -6.776 7.014 -2.644
152 HH12 ARG 17 2HH1 ARG 17 -7.036 8.582 -3.271
153 HH21 ARG 17 1HH2 ARG 17 -9.009 9.738 -0.601
154 HH22 ARG 17 2HH2 ARG 17 -8.315 10.132 -2.111
155 H GLY 18 HN GLY 18 -9.342 2.817 3.826
156 HA2 GLY 18 2HA GLY 18 -11.591 2.625 4.174
157 HA3 GLY 18 1HA GLY 18 -11.839 2.880 2.451
Start of MODEL 16
1 H1 LYS 1 HN LYS 1 -12.202 1.593 1.331
2 HA LYS 1 HA LYS 1 -12.186 -1.212 2.150
3 HB2 LYS 1 2HB LYS 1 -14.092 -1.463 0.598
4 HB3 LYS 1 1HB LYS 1 -14.375 -0.240 1.826
5 HG2 LYS 1 2HG LYS 1 -13.870 1.516 0.193
6 HG3 LYS 1 1HG LYS 1 -13.587 0.286 -1.040
7 HD2 LYS 1 2HD LYS 1 -15.810 1.205 -1.314
8 HD3 LYS 1 1HD LYS 1 -15.938 -0.461 -0.756
9 HE2 LYS 1 2HE LYS 1 -16.328 0.341 1.527
10 HE3 LYS 1 1HE LYS 1 -16.187 2.006 0.962
11 HZ1 LYS 1 1HZ LYS 1 -18.508 1.277 1.176
12 HZ2 LYS 1 2HZ LYS 1 -18.232 0.064 0.040
13 HZ3 LYS 1 3HZ LYS 1 -18.137 1.665 -0.419
14 H TRP 2 HN TRP 2 -10.158 0.491 0.468
15 HA TRP 2 HA TRP 2 -9.888 -1.417 -1.732
16 HB2 TRP 2 2HB TRP 2 -10.390 0.819 -2.532
17 HB3 TRP 2 1HB TRP 2 -9.112 1.492 -1.545
18 HD1 TRP 2 1HD TRP 2 -8.576 -1.605 -3.732
19 HE1 TRP 2 1HE TRP 2 -6.850 -1.018 -5.581
20 HE3 TRP 2 3HE TRP 2 -8.157 3.385 -2.847
21 HZ2 TRP 2 2HZ TRP 2 -5.513 1.309 -6.522
22 HZ3 TRP 2 3HZ TRP 2 -6.658 4.726 -4.261
23 HH2 TRP 2 2HH TRP 2 -5.369 3.702 -6.055
24 H CYS 3 HN CYS 3 -8.335 -2.822 -1.206
25 HA CYS 3 HA CYS 3 -5.970 -1.820 0.197
26 HB2 CYS 3 2HB CYS 3 -7.049 -4.637 -0.033
27 HB3 CYS 3 1HB CYS 3 -5.550 -4.197 0.769
28 H PHE 4 HN PHE 4 -4.136 -1.735 -0.865
29 HA PHE 4 HA PHE 4 -3.733 -3.397 -3.193
30 HB2 PHE 4 2HB PHE 4 -3.057 -1.459 -4.577
31 HB3 PHE 4 1HB PHE 4 -4.745 -1.348 -4.112
32 HD1 PHE 4 1HD PHE 4 -1.637 0.334 -4.268
33 HD2 PHE 4 2HD PHE 4 -5.272 0.172 -2.061
34 HE1 PHE 4 1HE PHE 4 -1.229 2.602 -3.428
35 HE2 PHE 4 2HE PHE 4 -4.866 2.434 -1.210
36 HZ PHE 4 HZ PHE 4 -2.826 3.658 -1.901
37 H ARG 5 HN ARG 5 -1.389 -3.099 -3.914
38 HA ARG 5 HA ARG 5 0.171 -3.085 -1.467
39 HB2 ARG 5 2HB ARG 5 0.299 -5.004 -3.066
40 HB3 ARG 5 1HB ARG 5 1.036 -3.914 -4.232
41 HG2 ARG 5 2HG ARG 5 2.858 -3.481 -2.619
42 HG3 ARG 5 1HG ARG 5 2.140 -4.673 -1.538
43 HD2 ARG 5 2HD ARG 5 3.869 -5.771 -2.738
44 HD3 ARG 5 1HD ARG 5 2.332 -6.326 -3.389
45 HE ARG 5 HE ARG 5 3.242 -4.127 -4.870
46 HH11 ARG 5 1HH1 ARG 5 3.851 -7.582 -4.379
47 HH12 ARG 5 2HH1 ARG 5 4.633 -7.815 -5.872
48 HH21 ARG 5 1HH2 ARG 5 4.322 -4.449 -6.951
49 HH22 ARG 5 2HH2 ARG 5 4.887 -5.994 -7.375
50 H VAL 6 HN VAL 6 1.634 -1.626 -1.002
51 HA VAL 6 HA VAL 6 2.357 0.372 -3.026
52 HB VAL 6 HB VAL 6 2.242 0.740 -0.011
53 HG11 VAL 6 1HG1 VAL 6 2.589 3.122 -0.497
54 HG12 VAL 6 2HG1 VAL 6 2.764 2.738 -2.209
55 HG13 VAL 6 3HG1 VAL 6 3.940 2.128 -1.045
56 HG21 VAL 6 1HG2 VAL 6 -0.001 0.562 -0.946
57 HG22 VAL 6 2HG2 VAL 6 0.379 1.831 -2.111
58 HG23 VAL 6 3HG2 VAL 6 0.327 2.201 -0.387
59 H CYS 7 HN CYS 7 4.528 0.489 -3.363
60 HA CYS 7 HA CYS 7 6.249 -0.889 -1.440
61 HB2 CYS 7 2HB CYS 7 6.758 -0.260 -4.363
62 HB3 CYS 7 1HB CYS 7 7.923 -1.006 -3.278
63 H TYR 8 HN TYR 8 7.316 0.305 -0.186
64 HA TYR 8 HA TYR 8 7.953 3.060 -0.979
65 HB2 TYR 8 2HB TYR 8 6.198 2.960 0.756
66 HB3 TYR 8 1HB TYR 8 7.256 1.960 1.745
67 HD1 TYR 8 1HD TYR 8 7.075 5.313 0.153
68 HD2 TYR 8 2HD TYR 8 8.629 2.952 3.323
69 HE1 TYR 8 1HE TYR 8 7.967 7.330 1.201
70 HE2 TYR 8 2HE TYR 8 9.529 4.946 4.391
71 HH TYR 8 HH TYR 8 8.610 8.068 3.480
72 H ARG 9 HN ARG 9 10.024 3.155 -1.356
73 HA ARG 9 HA ARG 9 12.281 2.916 -1.251
74 HB2 ARG 9 2HB ARG 9 11.835 2.227 1.664
75 HB3 ARG 9 1HB ARG 9 13.351 2.733 0.941
76 HG2 ARG 9 2HG ARG 9 12.262 4.915 0.393
77 HG3 ARG 9 1HG ARG 9 10.867 4.370 1.317
78 HD2 ARG 9 2HD ARG 9 12.385 4.011 3.267
79 HD3 ARG 9 1HD ARG 9 13.666 4.792 2.341
80 HE ARG 9 HE ARG 9 11.227 6.287 2.560
81 HH11 ARG 9 1HH1 ARG 9 14.500 5.835 3.893
82 HH12 ARG 9 2HH1 ARG 9 14.406 7.209 4.882
83 HH21 ARG 9 1HH2 ARG 9 11.129 8.128 3.946
84 HH22 ARG 9 2HH2 ARG 9 12.467 8.563 4.914
85 H GLY 10 HN GLY 10 10.657 0.587 -1.915
86 HA2 GLY 10 2HA GLY 10 11.444 -1.515 -2.678
87 HA3 GLY 10 1HA GLY 10 12.682 -1.474 -1.432
88 H ILE 11 HN ILE 11 10.278 -0.553 0.354
89 HA ILE 11 HA ILE 11 9.717 -3.221 1.358
90 HB ILE 11 HB ILE 11 8.819 -0.526 2.430
91 HG12 ILE 11 2HG1 ILE 11 11.215 -2.113 3.361
92 HG13 ILE 11 1HG1 ILE 11 11.326 -0.800 2.194
93 HG21 ILE 11 1HG2 ILE 11 7.558 -2.430 3.302
94 HG22 ILE 11 2HG2 ILE 11 8.582 -1.742 4.562
95 HG23 ILE 11 3HG2 ILE 11 9.062 -3.233 3.755
96 HD11 ILE 11 1HD1 ILE 11 10.450 0.759 3.862
97 HD12 ILE 11 2HD1 ILE 11 11.893 -0.059 4.461
98 HD13 ILE 11 3HD1 ILE 11 10.295 -0.562 5.018
99 H CYS 12 HN CYS 12 8.095 -4.170 0.250
100 HA CYS 12 HA CYS 12 5.830 -2.545 -0.615
101 HB2 CYS 12 2HB CYS 12 6.476 -5.425 -1.258
102 HB3 CYS 12 1HB CYS 12 5.195 -4.434 -1.959
103 H TYR 13 HN TYR 13 3.918 -2.573 0.329
104 HA TYR 13 HA TYR 13 3.259 -4.757 2.117
105 HB2 TYR 13 2HB TYR 13 2.622 -3.129 3.901
106 HB3 TYR 13 1HB TYR 13 4.349 -3.179 3.591
107 HD1 TYR 13 1HD TYR 13 1.363 -1.101 3.630
108 HD2 TYR 13 2HD TYR 13 5.415 -1.287 2.326
109 HE1 TYR 13 1HE TYR 13 1.395 1.331 3.367
110 HE2 TYR 13 2HE TYR 13 5.439 1.140 2.062
111 HH TYR 13 HH TYR 13 3.130 3.118 3.383
112 H ARG 14 HN ARG 14 0.998 -4.807 2.613
113 HA ARG 14 HA ARG 14 -0.602 -3.765 0.424
114 HB2 ARG 14 2HB ARG 14 -0.875 -6.112 1.241
115 HB3 ARG 14 1HB ARG 14 -1.464 -5.471 2.767
116 HG2 ARG 14 2HG ARG 14 -3.246 -4.273 1.361
117 HG3 ARG 14 1HG ARG 14 -2.768 -5.368 0.065
118 HD2 ARG 14 2HD ARG 14 -3.828 -6.120 2.785
119 HD3 ARG 14 1HD ARG 14 -4.662 -6.288 1.250
120 HE ARG 14 HE ARG 14 -3.007 -7.960 0.642
121 HH11 ARG 14 1HH1 ARG 14 -3.325 -7.179 4.098
122 HH12 ARG 14 2HH1 ARG 14 -2.796 -8.702 4.626
123 HH21 ARG 14 1HH2 ARG 14 -2.267 -10.057 1.415
124 HH22 ARG 14 2HH2 ARG 14 -2.170 -10.373 3.076
125 H LYS 15 HN LYS 15 -1.036 -1.689 0.709
126 HA LYS 15 HA LYS 15 -1.854 -0.710 3.321
127 HB2 LYS 15 2HB LYS 15 -0.228 0.647 2.119
128 HB3 LYS 15 1HB LYS 15 -1.282 0.725 0.722
129 HG2 LYS 15 2HG LYS 15 -1.315 2.826 1.947
130 HG3 LYS 15 1HG LYS 15 -2.896 2.049 2.013
131 HD2 LYS 15 2HD LYS 15 -2.343 1.182 4.263
132 HD3 LYS 15 1HD LYS 15 -0.797 2.030 4.185
133 HE2 LYS 15 2HE LYS 15 -3.511 3.329 4.018
134 HE3 LYS 15 1HE LYS 15 -2.523 3.257 5.472
135 HZ1 LYS 15 1HZ LYS 15 -1.737 4.616 2.939
136 HZ2 LYS 15 2HZ LYS 15 -0.840 4.565 4.362
137 HZ3 LYS 15 3HZ LYS 15 -2.310 5.373 4.328
138 H CYS 16 HN CYS 16 -3.904 -0.190 3.766
139 HA CYS 16 HA CYS 16 -5.850 -0.557 1.624
140 HB2 CYS 16 2HB CYS 16 -6.196 -0.900 4.610
141 HB3 CYS 16 1HB CYS 16 -7.488 -1.039 3.427
142 H ARG 17 HN ARG 17 -6.904 1.105 0.970
143 HA ARG 17 HA ARG 17 -7.030 3.465 2.692
144 HB2 ARG 17 2HB ARG 17 -5.852 3.802 0.495
145 HB3 ARG 17 1HB ARG 17 -7.299 3.258 -0.337
146 HG2 ARG 17 2HG ARG 17 -7.171 5.663 -0.433
147 HG3 ARG 17 1HG ARG 17 -8.521 5.196 0.602
148 HD2 ARG 17 2HD ARG 17 -7.098 5.564 2.580
149 HD3 ARG 17 1HD ARG 17 -5.788 6.075 1.524
150 HE ARG 17 HE ARG 17 -7.888 7.684 0.860
151 HH11 ARG 17 1HH1 ARG 17 -6.076 7.031 3.798
152 HH12 ARG 17 2HH1 ARG 17 -6.383 8.546 4.511
153 HH21 ARG 17 1HH2 ARG 17 -8.307 9.779 1.821
154 HH22 ARG 17 2HH2 ARG 17 -7.673 10.153 3.350
155 H GLY 18 HN GLY 18 -8.795 2.734 3.809
156 HA2 GLY 18 2HA GLY 18 -11.003 2.507 4.242
157 HA3 GLY 18 1HA GLY 18 -11.339 3.031 2.591
Start of MODEL 17
1 H1 LYS 1 HN LYS 1 -12.228 0.601 1.568
2 HA LYS 1 HA LYS 1 -11.202 -2.013 2.435
3 HB2 LYS 1 2HB LYS 1 -13.070 -2.984 1.120
4 HB3 LYS 1 1HB LYS 1 -13.618 -1.949 2.433
5 HG2 LYS 1 2HG LYS 1 -13.943 -0.137 0.846
6 HG3 LYS 1 1HG LYS 1 -13.452 -1.208 -0.467
7 HD2 LYS 1 2HD LYS 1 -15.343 -2.639 -0.034
8 HD3 LYS 1 1HD LYS 1 -15.778 -1.674 1.381
9 HE2 LYS 1 2HE LYS 1 -15.727 -0.714 -1.475
10 HE3 LYS 1 1HE LYS 1 -17.170 -1.072 -0.528
11 HZ1 LYS 1 1HZ LYS 1 -16.753 1.278 -0.532
12 HZ2 LYS 1 2HZ LYS 1 -15.187 1.067 0.043
13 HZ3 LYS 1 3HZ LYS 1 -16.499 0.687 1.027
14 H TRP 2 HN TRP 2 -10.402 0.336 0.379
15 HA TRP 2 HA TRP 2 -9.861 -1.379 -1.912
16 HB2 TRP 2 2HB TRP 2 -10.639 1.056 -2.161
17 HB3 TRP 2 1HB TRP 2 -9.067 1.528 -1.531
18 HD1 TRP 2 1HD TRP 2 -7.069 -0.165 -3.169
19 HE1 TRP 2 1HE TRP 2 -6.854 0.063 -5.725
20 HE3 TRP 2 3HE TRP 2 -11.612 1.918 -4.182
21 HZ2 TRP 2 2HZ TRP 2 -8.394 1.022 -7.877
22 HZ3 TRP 2 3HZ TRP 2 -12.164 2.469 -6.520
23 HH2 TRP 2 2HH TRP 2 -10.582 2.027 -8.321
24 H CYS 3 HN CYS 3 -8.183 -2.672 -1.547
25 HA CYS 3 HA CYS 3 -5.922 -1.591 -0.035
26 HB2 CYS 3 2HB CYS 3 -6.776 -4.430 -0.487
27 HB3 CYS 3 1HB CYS 3 -5.350 -3.944 0.422
28 H PHE 4 HN PHE 4 -4.128 -1.251 -1.043
29 HA PHE 4 HA PHE 4 -3.610 -2.638 -3.543
30 HB2 PHE 4 2HB PHE 4 -2.771 -0.468 -4.496
31 HB3 PHE 4 1HB PHE 4 -4.505 -0.523 -4.239
32 HD1 PHE 4 1HD PHE 4 -1.459 1.230 -3.540
33 HD2 PHE 4 2HD PHE 4 -5.462 0.687 -2.205
34 HE1 PHE 4 1HE PHE 4 -1.340 3.349 -2.299
35 HE2 PHE 4 2HE PHE 4 -5.344 2.796 -0.964
36 HZ PHE 4 HZ PHE 4 -3.283 4.134 -1.008
37 H ARG 5 HN ARG 5 -1.362 -2.742 -4.082
38 HA ARG 5 HA ARG 5 0.228 -2.963 -1.673
39 HB2 ARG 5 2HB ARG 5 0.269 -4.737 -3.444
40 HB3 ARG 5 1HB ARG 5 1.051 -3.577 -4.513
41 HG2 ARG 5 2HG ARG 5 2.849 -3.347 -2.763
42 HG3 ARG 5 1HG ARG 5 2.126 -4.735 -1.955
43 HD2 ARG 5 2HD ARG 5 3.916 -5.521 -3.300
44 HD3 ARG 5 1HD ARG 5 2.414 -6.007 -4.093
45 HE ARG 5 HE ARG 5 3.511 -3.507 -4.987
46 HH11 ARG 5 1HH1 ARG 5 3.396 -6.983 -5.553
47 HH12 ARG 5 2HH1 ARG 5 4.070 -6.891 -7.115
48 HH21 ARG 5 1HH2 ARG 5 4.485 -3.369 -7.093
49 HH22 ARG 5 2HH2 ARG 5 4.735 -4.783 -7.997
50 H VAL 6 HN VAL 6 1.603 -1.493 -1.047
51 HA VAL 6 HA VAL 6 2.391 0.602 -2.938
52 HB VAL 6 HB VAL 6 2.364 0.729 0.084
53 HG11 VAL 6 1HG1 VAL 6 2.679 2.895 -1.977
54 HG12 VAL 6 2HG1 VAL 6 3.956 2.225 -0.958
55 HG13 VAL 6 3HG1 VAL 6 2.617 3.116 -0.228
56 HG21 VAL 6 1HG2 VAL 6 0.388 2.168 -0.114
57 HG22 VAL 6 2HG2 VAL 6 0.078 0.538 -0.703
58 HG23 VAL 6 3HG2 VAL 6 0.344 1.853 -1.848
59 H CYS 7 HN CYS 7 4.537 0.582 -3.396
60 HA CYS 7 HA CYS 7 6.250 -0.839 -1.509
61 HB2 CYS 7 2HB CYS 7 6.670 -0.435 -4.483
62 HB3 CYS 7 1HB CYS 7 7.842 -1.164 -3.394
63 H TYR 8 HN TYR 8 7.481 0.299 -0.358
64 HA TYR 8 HA TYR 8 8.326 2.922 -1.328
65 HB2 TYR 8 2HB TYR 8 6.643 3.166 0.407
66 HB3 TYR 8 1HB TYR 8 7.544 2.084 1.458
67 HD1 TYR 8 1HD TYR 8 8.271 5.194 -0.508
68 HD2 TYR 8 2HD TYR 8 8.630 3.119 3.180
69 HE1 TYR 8 1HE TYR 8 9.365 7.145 0.466
70 HE2 TYR 8 2HE TYR 8 9.748 5.063 4.172
71 HH TYR 8 HH TYR 8 9.700 8.096 2.666
72 H ARG 9 HN ARG 9 10.300 2.476 -1.969
73 HA ARG 9 HA ARG 9 12.531 2.141 -1.868
74 HB2 ARG 9 2HB ARG 9 12.043 2.409 1.106
75 HB3 ARG 9 1HB ARG 9 13.638 2.418 0.364
76 HG2 ARG 9 2HG ARG 9 12.930 4.404 -0.980
77 HG3 ARG 9 1HG ARG 9 11.419 4.378 -0.102
78 HD2 ARG 9 2HD ARG 9 12.473 4.863 1.953
79 HD3 ARG 9 1HD ARG 9 14.082 4.629 1.264
80 HE ARG 9 HE ARG 9 13.091 6.538 -0.304
81 HH11 ARG 9 1HH1 ARG 9 13.166 6.371 3.239
82 HH12 ARG 9 2HH1 ARG 9 13.310 8.049 3.455
83 HH21 ARG 9 1HH2 ARG 9 13.330 8.854 -0.004
84 HH22 ARG 9 2HH2 ARG 9 13.392 9.497 1.561
85 H GLY 10 HN GLY 10 10.806 -0.096 -1.958
86 HA2 GLY 10 2HA GLY 10 11.493 -2.348 -2.336
87 HA3 GLY 10 1HA GLY 10 12.739 -2.144 -1.111
88 H ILE 11 HN ILE 11 10.274 -0.776 0.319
89 HA ILE 11 HA ILE 11 9.488 -3.207 1.721
90 HB ILE 11 HB ILE 11 8.900 -0.302 2.380
91 HG12 ILE 11 2HG1 ILE 11 11.023 -2.067 3.610
92 HG13 ILE 11 1HG1 ILE 11 11.347 -0.915 2.320
93 HG21 ILE 11 1HG2 ILE 11 8.406 -1.165 4.629
94 HG22 ILE 11 2HG2 ILE 11 8.721 -2.809 4.073
95 HG23 ILE 11 3HG2 ILE 11 7.356 -1.903 3.418
96 HD11 ILE 11 1HD1 ILE 11 10.648 0.906 3.742
97 HD12 ILE 11 2HD1 ILE 11 11.922 -0.033 4.524
98 HD13 ILE 11 3HD1 ILE 11 10.240 -0.227 5.030
99 H CYS 12 HN CYS 12 7.873 -4.117 0.569
100 HA CYS 12 HA CYS 12 5.760 -2.396 -0.455
101 HB2 CYS 12 2HB CYS 12 6.275 -5.339 -0.937
102 HB3 CYS 12 1HB CYS 12 4.991 -4.391 -1.677
103 H TYR 13 HN TYR 13 3.902 -2.202 0.542
104 HA TYR 13 HA TYR 13 3.117 -4.255 2.427
105 HB2 TYR 13 2HB TYR 13 2.405 -2.462 4.020
106 HB3 TYR 13 1HB TYR 13 4.143 -2.557 3.819
107 HD1 TYR 13 1HD TYR 13 5.340 -0.746 2.567
108 HD2 TYR 13 2HD TYR 13 1.179 -0.493 3.427
109 HE1 TYR 13 1HE TYR 13 5.404 1.665 2.133
110 HE2 TYR 13 2HE TYR 13 1.232 1.911 2.989
111 HH TYR 13 HH TYR 13 3.718 3.501 1.439
112 H ARG 14 HN ARG 14 0.838 -4.281 2.757
113 HA ARG 14 HA ARG 14 -0.520 -3.253 0.393
114 HB2 ARG 14 2HB ARG 14 -0.680 -5.689 1.084
115 HB3 ARG 14 1HB ARG 14 -1.607 -5.149 2.477
116 HG2 ARG 14 2HG ARG 14 -3.271 -4.177 0.948
117 HG3 ARG 14 1HG ARG 14 -2.356 -4.815 -0.420
118 HD2 ARG 14 2HD ARG 14 -2.589 -7.091 0.624
119 HD3 ARG 14 1HD ARG 14 -3.695 -6.354 1.780
120 HE ARG 14 HE ARG 14 -4.230 -6.163 -1.085
121 HH11 ARG 14 1HH1 ARG 14 -5.155 -7.412 2.107
122 HH12 ARG 14 2HH1 ARG 14 -6.709 -7.890 1.637
123 HH21 ARG 14 1HH2 ARG 14 -6.388 -6.893 -1.750
124 HH22 ARG 14 2HH2 ARG 14 -7.421 -7.584 -0.587
125 H LYS 15 HN LYS 15 -1.079 -1.242 0.764
126 HA LYS 15 HA LYS 15 -2.050 -0.443 3.392
127 HB2 LYS 15 2HB LYS 15 -0.440 0.928 1.922
128 HB3 LYS 15 1HB LYS 15 -1.847 1.303 0.943
129 HG2 LYS 15 2HG LYS 15 -2.931 2.315 2.897
130 HG3 LYS 15 1HG LYS 15 -1.498 1.942 3.859
131 HD2 LYS 15 2HD LYS 15 -0.168 3.315 2.218
132 HD3 LYS 15 1HD LYS 15 -1.702 3.821 1.516
133 HE2 LYS 15 2HE LYS 15 -0.818 4.263 4.372
134 HE3 LYS 15 1HE LYS 15 -0.875 5.479 3.103
135 HZ1 LYS 15 1HZ LYS 15 -2.770 5.672 4.520
136 HZ2 LYS 15 2HZ LYS 15 -3.211 4.077 4.314
137 HZ3 LYS 15 3HZ LYS 15 -3.313 5.149 3.020
138 H CYS 16 HN CYS 16 -4.186 0.063 3.795
139 HA CYS 16 HA CYS 16 -6.013 -0.444 1.572
140 HB2 CYS 16 2HB CYS 16 -6.357 -1.089 4.498
141 HB3 CYS 16 1HB CYS 16 -7.635 -1.215 3.297
142 H ARG 17 HN ARG 17 -6.989 1.279 0.910
143 HA ARG 17 HA ARG 17 -7.567 3.433 2.794
144 HB2 ARG 17 2HB ARG 17 -6.603 4.067 0.596
145 HB3 ARG 17 1HB ARG 17 -7.953 3.283 -0.212
146 HG2 ARG 17 2HG ARG 17 -9.491 4.892 0.855
147 HG3 ARG 17 1HG ARG 17 -8.098 5.705 1.576
148 HD2 ARG 17 2HD ARG 17 -7.203 6.136 -0.647
149 HD3 ARG 17 1HD ARG 17 -8.583 5.306 -1.360
150 HE ARG 17 HE ARG 17 -9.419 7.425 0.317
151 HH11 ARG 17 1HH1 ARG 17 -8.048 6.747 -2.877
152 HH12 ARG 17 2HH1 ARG 17 -8.670 8.151 -3.600
153 HH21 ARG 17 1HH2 ARG 17 -10.293 9.399 -0.714
154 HH22 ARG 17 2HH2 ARG 17 -9.955 9.668 -2.352
155 H GLY 18 HN GLY 18 -9.216 2.662 3.968
156 HA2 GLY 18 2HA GLY 18 -11.337 1.979 4.459
157 HA3 GLY 18 1HA GLY 18 -11.778 2.298 2.776
Start of MODEL 18
1 H1 LYS 1 HN LYS 1 -11.865 1.645 0.975
2 HA LYS 1 HA LYS 1 -12.714 -1.158 1.322
3 HB2 LYS 1 2HB LYS 1 -13.343 0.730 -0.935
4 HB3 LYS 1 1HB LYS 1 -13.935 -0.909 -0.747
5 HG2 LYS 1 2HG LYS 1 -15.182 -0.247 1.224
6 HG3 LYS 1 1HG LYS 1 -14.556 1.396 1.072
7 HD2 LYS 1 2HD LYS 1 -15.551 1.542 -1.173
8 HD3 LYS 1 1HD LYS 1 -16.266 -0.054 -0.943
9 HE2 LYS 1 2HE LYS 1 -17.518 0.778 0.964
10 HE3 LYS 1 1HE LYS 1 -16.783 2.365 0.776
11 HZ1 LYS 1 1HZ LYS 1 -18.970 2.321 -0.190
12 HZ2 LYS 1 2HZ LYS 1 -18.573 1.039 -1.197
13 HZ3 LYS 1 3HZ LYS 1 -17.823 2.535 -1.406
14 H TRP 2 HN TRP 2 -10.297 0.885 0.046
15 HA TRP 2 HA TRP 2 -9.685 -1.021 -2.082
16 HB2 TRP 2 2HB TRP 2 -10.005 1.437 -2.573
17 HB3 TRP 2 1HB TRP 2 -8.503 1.719 -1.700
18 HD1 TRP 2 1HD TRP 2 -6.342 0.178 -2.800
19 HE1 TRP 2 1HE TRP 2 -5.756 -0.057 -5.322
20 HE3 TRP 2 3HE TRP 2 -10.843 1.454 -4.824
21 HZ2 TRP 2 2HZ TRP 2 -7.029 0.244 -7.789
22 HZ3 TRP 2 3HZ TRP 2 -11.082 1.449 -7.277
23 HH2 TRP 2 2HH TRP 2 -9.216 0.859 -8.722
24 H CYS 3 HN CYS 3 -8.153 -2.416 -1.683
25 HA CYS 3 HA CYS 3 -5.926 -1.685 0.085
26 HB2 CYS 3 2HB CYS 3 -7.110 -4.342 -0.615
27 HB3 CYS 3 1HB CYS 3 -5.608 -4.170 0.293
28 H PHE 4 HN PHE 4 -3.986 -1.626 -0.861
29 HA PHE 4 HA PHE 4 -3.617 -3.010 -3.370
30 HB2 PHE 4 2HB PHE 4 -2.808 -1.018 -4.536
31 HB3 PHE 4 1HB PHE 4 -4.475 -0.807 -4.037
32 HD1 PHE 4 1HD PHE 4 -4.694 0.410 -1.623
33 HD2 PHE 4 2HD PHE 4 -1.400 0.734 -4.286
34 HE1 PHE 4 1HE PHE 4 -4.102 2.560 -0.613
35 HE2 PHE 4 2HE PHE 4 -0.798 2.875 -3.281
36 HZ PHE 4 HZ PHE 4 -2.145 3.803 -1.432
37 H ARG 5 HN ARG 5 -1.275 -2.669 -4.079
38 HA ARG 5 HA ARG 5 0.319 -3.180 -1.712
39 HB2 ARG 5 2HB ARG 5 0.260 -4.693 -3.782
40 HB3 ARG 5 1HB ARG 5 1.160 -3.421 -4.584
41 HG2 ARG 5 2HG ARG 5 2.958 -3.624 -2.967
42 HG3 ARG 5 1HG ARG 5 2.064 -4.885 -2.118
43 HD2 ARG 5 2HD ARG 5 2.070 -6.175 -4.285
44 HD3 ARG 5 1HD ARG 5 3.218 -4.980 -4.893
45 HE ARG 5 HE ARG 5 3.809 -6.331 -2.402
46 HH11 ARG 5 1HH1 ARG 5 4.553 -5.972 -5.828
47 HH12 ARG 5 2HH1 ARG 5 6.030 -6.816 -5.755
48 HH21 ARG 5 1HH2 ARG 5 5.815 -7.540 -2.287
49 HH22 ARG 5 2HH2 ARG 5 6.765 -7.704 -3.700
50 H VAL 6 HN VAL 6 1.749 -1.758 -1.010
51 HA VAL 6 HA VAL 6 2.414 0.508 -2.754
52 HB VAL 6 HB VAL 6 2.473 0.466 0.275
53 HG11 VAL 6 1HG1 VAL 6 4.052 2.029 -0.711
54 HG12 VAL 6 2HG1 VAL 6 2.736 2.894 0.083
55 HG13 VAL 6 3HG1 VAL 6 2.761 2.746 -1.674
56 HG21 VAL 6 1HG2 VAL 6 0.172 0.325 -0.489
57 HG22 VAL 6 2HG2 VAL 6 0.425 1.713 -1.547
58 HG23 VAL 6 3HG2 VAL 6 0.499 1.913 0.204
59 H CYS 7 HN CYS 7 4.381 0.247 -3.496
60 HA CYS 7 HA CYS 7 6.377 -0.948 -1.731
61 HB2 CYS 7 2HB CYS 7 6.281 -0.710 -4.743
62 HB3 CYS 7 1HB CYS 7 7.710 -1.214 -3.848
63 H TYR 8 HN TYR 8 7.673 0.345 -0.823
64 HA TYR 8 HA TYR 8 8.494 2.821 -2.134
65 HB2 TYR 8 2HB TYR 8 6.604 3.456 -0.775
66 HB3 TYR 8 1HB TYR 8 7.247 2.567 0.597
67 HD1 TYR 8 1HD TYR 8 8.159 3.843 2.265
68 HD2 TYR 8 2HD TYR 8 8.382 5.288 -1.724
69 HE1 TYR 8 1HE TYR 8 9.278 5.860 3.065
70 HE2 TYR 8 2HE TYR 8 9.490 7.307 -0.939
71 HH TYR 8 HH TYR 8 9.761 8.608 1.055
72 H ARG 9 HN ARG 9 10.606 2.625 -2.229
73 HA ARG 9 HA ARG 9 12.799 2.442 -1.681
74 HB2 ARG 9 2HB ARG 9 11.803 2.468 1.177
75 HB3 ARG 9 1HB ARG 9 13.492 2.605 0.704
76 HG2 ARG 9 2HG ARG 9 12.929 4.693 -0.488
77 HG3 ARG 9 1HG ARG 9 11.270 4.543 0.103
78 HD2 ARG 9 2HD ARG 9 13.752 4.783 1.789
79 HD3 ARG 9 1HD ARG 9 12.556 6.048 1.513
80 HE ARG 9 HE ARG 9 10.994 4.268 2.556
81 HH11 ARG 9 1HH1 ARG 9 14.315 4.988 3.549
82 HH12 ARG 9 2HH1 ARG 9 14.070 4.627 5.191
83 HH21 ARG 9 1HH2 ARG 9 10.641 3.778 4.852
84 HH22 ARG 9 2HH2 ARG 9 11.929 3.920 5.943
85 H GLY 10 HN GLY 10 11.000 0.106 -1.930
86 HA2 GLY 10 2HA GLY 10 11.730 -2.115 -2.246
87 HA3 GLY 10 1HA GLY 10 12.876 -1.896 -0.928
88 H ILE 11 HN ILE 11 10.352 -0.472 0.299
89 HA ILE 11 HA ILE 11 9.549 -2.797 1.842
90 HB ILE 11 HB ILE 11 8.655 0.083 2.156
91 HG12 ILE 11 2HG1 ILE 11 10.914 -1.248 3.645
92 HG13 ILE 11 1HG1 ILE 11 11.165 -0.227 2.231
93 HG21 ILE 11 1HG2 ILE 11 8.754 -2.217 4.119
94 HG22 ILE 11 2HG2 ILE 11 7.305 -1.620 3.320
95 HG23 ILE 11 3HG2 ILE 11 8.167 -0.589 4.463
96 HD11 ILE 11 1HD1 ILE 11 11.521 1.024 4.292
97 HD12 ILE 11 2HD1 ILE 11 9.896 0.606 4.834
98 HD13 ILE 11 3HD1 ILE 11 10.116 1.641 3.424
99 H CYS 12 HN CYS 12 8.048 -3.915 0.749
100 HA CYS 12 HA CYS 12 5.834 -2.428 -0.454
101 HB2 CYS 12 2HB CYS 12 6.624 -5.325 -0.837
102 HB3 CYS 12 1HB CYS 12 5.255 -4.520 -1.598
103 H TYR 13 HN TYR 13 3.957 -2.358 0.561
104 HA TYR 13 HA TYR 13 3.306 -4.503 2.381
105 HB2 TYR 13 2HB TYR 13 2.530 -2.832 4.085
106 HB3 TYR 13 1HB TYR 13 4.271 -2.902 3.876
107 HD1 TYR 13 1HD TYR 13 1.299 -0.818 3.652
108 HD2 TYR 13 2HD TYR 13 5.435 -1.046 2.694
109 HE1 TYR 13 1HE TYR 13 1.361 1.615 3.336
110 HE2 TYR 13 2HE TYR 13 5.513 1.369 2.378
111 HH TYR 13 HH TYR 13 4.027 3.214 1.895
112 H ARG 14 HN ARG 14 1.088 -4.560 2.920
113 HA ARG 14 HA ARG 14 -0.526 -3.776 0.647
114 HB2 ARG 14 2HB ARG 14 -0.514 -6.114 1.641
115 HB3 ARG 14 1HB ARG 14 -1.296 -5.428 3.053
116 HG2 ARG 14 2HG ARG 14 -2.942 -6.466 1.663
117 HG3 ARG 14 1HG ARG 14 -3.175 -4.714 1.602
118 HD2 ARG 14 2HD ARG 14 -2.043 -4.616 -0.537
119 HD3 ARG 14 1HD ARG 14 -1.676 -6.339 -0.438
120 HE ARG 14 HE ARG 14 -4.424 -6.040 -0.239
121 HH11 ARG 14 1HH1 ARG 14 -1.856 -5.730 -2.627
122 HH12 ARG 14 2HH1 ARG 14 -2.869 -5.903 -3.977
123 HH21 ARG 14 1HH2 ARG 14 -5.837 -6.324 -2.064
124 HH22 ARG 14 2HH2 ARG 14 -5.233 -6.245 -3.649
125 H LYS 15 HN LYS 15 -1.058 -1.681 0.902
126 HA LYS 15 HA LYS 15 -2.001 -0.765 3.506
127 HB2 LYS 15 2HB LYS 15 -0.443 0.683 2.266
128 HB3 LYS 15 1HB LYS 15 -1.598 0.782 0.947
129 HG2 LYS 15 2HG LYS 15 -3.182 1.937 2.402
130 HG3 LYS 15 1HG LYS 15 -2.041 1.813 3.742
131 HD2 LYS 15 2HD LYS 15 -0.422 3.137 2.488
132 HD3 LYS 15 1HD LYS 15 -1.556 3.269 1.145
133 HE2 LYS 15 2HE LYS 15 -1.595 5.302 2.483
134 HE3 LYS 15 1HE LYS 15 -3.133 4.458 2.612
135 HZ1 LYS 15 1HZ LYS 15 -0.951 4.374 4.634
136 HZ2 LYS 15 2HZ LYS 15 -2.456 3.622 4.782
137 HZ3 LYS 15 3HZ LYS 15 -2.356 5.280 4.754
138 H CYS 16 HN CYS 16 -4.048 -0.468 3.977
139 HA CYS 16 HA CYS 16 -6.016 -0.704 1.825
140 HB2 CYS 16 2HB CYS 16 -6.199 -1.605 4.700
141 HB3 CYS 16 1HB CYS 16 -7.576 -1.528 3.604
142 H ARG 17 HN ARG 17 -7.422 0.863 1.586
143 HA ARG 17 HA ARG 17 -7.625 2.922 3.670
144 HB2 ARG 17 2HB ARG 17 -7.687 3.346 0.707
145 HB3 ARG 17 1HB ARG 17 -7.748 4.597 1.934
146 HG2 ARG 17 2HG ARG 17 -5.416 4.066 2.548
147 HG3 ARG 17 1HG ARG 17 -5.389 2.830 1.291
148 HD2 ARG 17 2HD ARG 17 -5.752 5.800 0.902
149 HD3 ARG 17 1HD ARG 17 -4.350 4.830 0.445
150 HE ARG 17 HE ARG 17 -6.870 4.027 -0.732
151 HH11 ARG 17 1HH1 ARG 17 -3.950 5.966 -1.227
152 HH12 ARG 17 2HH1 ARG 17 -4.149 6.030 -2.922
153 HH21 ARG 17 1HH2 ARG 17 -7.114 4.133 -3.033
154 HH22 ARG 17 2HH2 ARG 17 -5.959 4.987 -3.937
155 H GLY 18 HN GLY 18 -9.584 1.996 4.356
156 HA2 GLY 18 2HA GLY 18 -11.877 2.022 4.423
157 HA3 GLY 18 1HA GLY 18 -11.871 2.848 2.871
Start of MODEL 19
1 H1 LYS 1 HN LYS 1 -12.043 1.341 1.016
2 HA LYS 1 HA LYS 1 -12.210 -1.339 2.216
3 HB2 LYS 1 2HB LYS 1 -13.659 -0.233 -0.187
4 HB3 LYS 1 1HB LYS 1 -13.794 -1.872 0.426
5 HG2 LYS 1 2HG LYS 1 -14.701 -0.964 2.529
6 HG3 LYS 1 1HG LYS 1 -14.639 0.648 1.828
7 HD2 LYS 1 2HD LYS 1 -16.891 -0.226 1.611
8 HD3 LYS 1 1HD LYS 1 -16.149 -0.095 0.021
9 HE2 LYS 1 2HE LYS 1 -17.399 -2.194 0.262
10 HE3 LYS 1 1HE LYS 1 -15.689 -2.499 0.014
11 HZ1 LYS 1 1HZ LYS 1 -15.442 -2.928 2.368
12 HZ2 LYS 1 2HZ LYS 1 -16.661 -3.897 1.752
13 HZ3 LYS 1 3HZ LYS 1 -17.055 -2.534 2.658
14 H TRP 2 HN TRP 2 -10.414 0.581 0.126
15 HA TRP 2 HA TRP 2 -9.909 -1.553 -1.775
16 HB2 TRP 2 2HB TRP 2 -10.286 0.841 -2.482
17 HB3 TRP 2 1HB TRP 2 -8.739 1.226 -1.738
18 HD1 TRP 2 1HD TRP 2 -6.587 -0.221 -2.862
19 HE1 TRP 2 1HE TRP 2 -6.197 -0.743 -5.387
20 HE3 TRP 2 3HE TRP 2 -11.334 0.378 -4.540
21 HZ2 TRP 2 2HZ TRP 2 -7.736 -0.892 -7.723
22 HZ3 TRP 2 3HZ TRP 2 -11.805 0.014 -6.914
23 HH2 TRP 2 2HH TRP 2 -10.027 -0.611 -8.465
24 H CYS 3 HN CYS 3 -8.206 -2.812 -1.568
25 HA CYS 3 HA CYS 3 -6.002 -1.905 0.135
26 HB2 CYS 3 2HB CYS 3 -7.081 -4.633 -0.376
27 HB3 CYS 3 1HB CYS 3 -5.547 -4.367 0.457
28 H PHE 4 HN PHE 4 -4.093 -1.722 -0.799
29 HA PHE 4 HA PHE 4 -3.578 -3.113 -3.276
30 HB2 PHE 4 2HB PHE 4 -2.857 -1.020 -4.396
31 HB3 PHE 4 1HB PHE 4 -4.574 -1.029 -4.047
32 HD1 PHE 4 1HD PHE 4 -1.714 0.917 -4.043
33 HD2 PHE 4 2HD PHE 4 -5.145 0.150 -1.652
34 HE1 PHE 4 1HE PHE 4 -1.499 3.137 -3.007
35 HE2 PHE 4 2HE PHE 4 -4.937 2.354 -0.619
36 HZ PHE 4 HZ PHE 4 -3.124 3.858 -1.289
37 H ARG 5 HN ARG 5 -1.218 -2.721 -3.893
38 HA ARG 5 HA ARG 5 0.245 -2.821 -1.374
39 HB2 ARG 5 2HB ARG 5 0.298 -4.833 -2.765
40 HB3 ARG 5 1HB ARG 5 0.967 -3.899 -4.088
41 HG2 ARG 5 2HG ARG 5 2.969 -3.453 -2.735
42 HG3 ARG 5 1HG ARG 5 2.290 -4.441 -1.437
43 HD2 ARG 5 2HD ARG 5 2.947 -5.359 -4.232
44 HD3 ARG 5 1HD ARG 5 3.846 -5.752 -2.772
45 HE ARG 5 HE ARG 5 1.804 -6.871 -1.988
46 HH11 ARG 5 1HH1 ARG 5 2.349 -6.473 -5.464
47 HH12 ARG 5 2HH1 ARG 5 1.384 -7.789 -5.931
48 HH21 ARG 5 1HH2 ARG 5 0.472 -8.721 -2.639
49 HH22 ARG 5 2HH2 ARG 5 0.333 -9.110 -4.302
50 H VAL 6 HN VAL 6 1.567 -1.282 -0.896
51 HA VAL 6 HA VAL 6 2.365 0.639 -2.970
52 HB VAL 6 HB VAL 6 2.436 0.996 0.042
53 HG11 VAL 6 1HG1 VAL 6 3.969 2.445 -1.147
54 HG12 VAL 6 2HG1 VAL 6 2.644 3.383 -0.458
55 HG13 VAL 6 3HG1 VAL 6 2.659 3.014 -2.183
56 HG21 VAL 6 1HG2 VAL 6 0.309 1.954 -1.876
57 HG22 VAL 6 2HG2 VAL 6 0.420 2.389 -0.170
58 HG23 VAL 6 3HG2 VAL 6 0.114 0.719 -0.633
59 H CYS 7 HN CYS 7 4.527 0.793 -3.378
60 HA CYS 7 HA CYS 7 6.286 -0.714 -1.590
61 HB2 CYS 7 2HB CYS 7 6.594 -0.195 -4.555
62 HB3 CYS 7 1HB CYS 7 7.826 -0.945 -3.546
63 H TYR 8 HN TYR 8 7.557 0.403 -0.442
64 HA TYR 8 HA TYR 8 8.409 3.078 -1.328
65 HB2 TYR 8 2HB TYR 8 6.557 3.204 0.319
66 HB3 TYR 8 1HB TYR 8 7.488 2.205 1.420
67 HD1 TYR 8 1HD TYR 8 7.292 5.538 -0.174
68 HD2 TYR 8 2HD TYR 8 9.142 3.166 2.832
69 HE1 TYR 8 1HE TYR 8 8.206 7.558 0.842
70 HE2 TYR 8 2HE TYR 8 10.063 5.159 3.859
71 HH TYR 8 HH TYR 8 9.010 8.269 3.120
72 H ARG 9 HN ARG 9 10.556 2.856 -1.650
73 HA ARG 9 HA ARG 9 12.748 2.417 -1.357
74 HB2 ARG 9 2HB ARG 9 12.031 1.977 1.556
75 HB3 ARG 9 1HB ARG 9 13.650 2.247 0.932
76 HG2 ARG 9 2HG ARG 9 12.906 4.484 0.140
77 HG3 ARG 9 1HG ARG 9 11.352 4.185 0.905
78 HD2 ARG 9 2HD ARG 9 12.551 3.896 3.074
79 HD3 ARG 9 1HD ARG 9 14.033 4.413 2.265
80 HE ARG 9 HE ARG 9 11.784 6.175 1.960
81 HH11 ARG 9 1HH1 ARG 9 14.778 5.581 3.769
82 HH12 ARG 9 2HH1 ARG 9 14.754 7.086 4.555
83 HH21 ARG 9 1HH2 ARG 9 11.736 8.203 3.073
84 HH22 ARG 9 2HH2 ARG 9 12.999 8.656 4.115
85 H GLY 10 HN GLY 10 10.828 0.256 -1.917
86 HA2 GLY 10 2HA GLY 10 11.398 -1.940 -2.622
87 HA3 GLY 10 1HA GLY 10 12.653 -1.969 -1.382
88 H ILE 11 HN ILE 11 10.371 -0.708 0.311
89 HA ILE 11 HA ILE 11 9.556 -3.211 1.485
90 HB ILE 11 HB ILE 11 8.858 -0.368 2.294
91 HG12 ILE 11 2HG1 ILE 11 11.057 -2.086 3.455
92 HG13 ILE 11 1HG1 ILE 11 11.339 -0.886 2.197
93 HG21 ILE 11 1HG2 ILE 11 8.791 -2.962 3.848
94 HG22 ILE 11 2HG2 ILE 11 7.389 -2.073 3.257
95 HG23 ILE 11 3HG2 ILE 11 8.420 -1.367 4.503
96 HD11 ILE 11 1HD1 ILE 11 10.237 -0.335 4.952
97 HD12 ILE 11 2HD1 ILE 11 10.554 0.875 3.710
98 HD13 ILE 11 3HD1 ILE 11 11.890 -0.025 4.424
99 H CYS 12 HN CYS 12 7.906 -4.126 0.414
100 HA CYS 12 HA CYS 12 5.774 -2.385 -0.549
101 HB2 CYS 12 2HB CYS 12 6.302 -5.286 -1.252
102 HB3 CYS 12 1HB CYS 12 5.029 -4.255 -1.898
103 H TYR 13 HN TYR 13 3.920 -2.306 0.445
104 HA TYR 13 HA TYR 13 3.234 -4.433 2.292
105 HB2 TYR 13 2HB TYR 13 2.561 -2.674 3.960
106 HB3 TYR 13 1HB TYR 13 4.294 -2.805 3.703
107 HD1 TYR 13 1HD TYR 13 1.384 -0.648 3.470
108 HD2 TYR 13 2HD TYR 13 5.485 -1.013 2.400
109 HE1 TYR 13 1HE TYR 13 1.487 1.757 3.046
110 HE2 TYR 13 2HE TYR 13 5.593 1.394 1.968
111 HH TYR 13 HH TYR 13 3.169 3.510 2.994
112 H ARG 14 HN ARG 14 1.050 -4.690 2.593
113 HA ARG 14 HA ARG 14 -0.555 -3.653 0.438
114 HB2 ARG 14 2HB ARG 14 -0.579 -6.076 1.281
115 HB3 ARG 14 1HB ARG 14 -1.437 -5.464 2.686
116 HG2 ARG 14 2HG ARG 14 -3.224 -4.647 1.220
117 HG3 ARG 14 1HG ARG 14 -2.365 -5.307 -0.174
118 HD2 ARG 14 2HD ARG 14 -2.455 -7.547 0.963
119 HD3 ARG 14 1HD ARG 14 -3.532 -6.819 2.152
120 HE ARG 14 HE ARG 14 -4.110 -6.952 -0.723
121 HH11 ARG 14 1HH1 ARG 14 -5.228 -7.217 2.644
122 HH12 ARG 14 2HH1 ARG 14 -6.818 -7.643 2.236
123 HH21 ARG 14 1HH2 ARG 14 -6.326 -7.528 -1.266
124 HH22 ARG 14 2HH2 ARG 14 -7.454 -7.853 -0.036
125 H LYS 15 HN LYS 15 -1.081 -1.641 0.798
126 HA LYS 15 HA LYS 15 -1.919 -0.796 3.449
127 HB2 LYS 15 2HB LYS 15 -0.266 0.564 2.121
128 HB3 LYS 15 1HB LYS 15 -1.545 0.876 0.960
129 HG2 LYS 15 2HG LYS 15 -2.856 1.985 2.723
130 HG3 LYS 15 1HG LYS 15 -1.534 1.701 3.854
131 HD2 LYS 15 2HD LYS 15 -0.045 3.011 2.373
132 HD3 LYS 15 1HD LYS 15 -1.439 3.364 1.353
133 HE2 LYS 15 2HE LYS 15 -1.050 5.226 2.855
134 HE3 LYS 15 1HE LYS 15 -2.555 4.416 3.279
135 HZ1 LYS 15 1HZ LYS 15 -1.407 3.301 5.098
136 HZ2 LYS 15 2HZ LYS 15 -1.230 4.967 5.235
137 HZ3 LYS 15 3HZ LYS 15 0.045 4.043 4.666
138 H CYS 16 HN CYS 16 -3.987 -0.219 3.845
139 HA CYS 16 HA CYS 16 -5.846 -0.556 1.613
140 HB2 CYS 16 2HB CYS 16 -6.335 -1.189 4.526
141 HB3 CYS 16 1HB CYS 16 -7.550 -1.283 3.258
142 H ARG 17 HN ARG 17 -7.208 0.949 1.173
143 HA ARG 17 HA ARG 17 -7.427 3.248 2.967
144 HB2 ARG 17 2HB ARG 17 -6.098 3.836 0.985
145 HB3 ARG 17 1HB ARG 17 -7.351 3.200 -0.066
146 HG2 ARG 17 2HG ARG 17 -7.426 5.616 -0.034
147 HG3 ARG 17 1HG ARG 17 -8.878 4.950 0.714
148 HD2 ARG 17 2HD ARG 17 -7.868 5.336 2.938
149 HD3 ARG 17 1HD ARG 17 -6.471 6.062 2.139
150 HE ARG 17 HE ARG 17 -8.811 7.328 1.271
151 HH11 ARG 17 1HH1 ARG 17 -6.693 7.187 4.128
152 HH12 ARG 17 2HH1 ARG 17 -7.221 8.694 4.739
153 HH21 ARG 17 1HH2 ARG 17 -9.510 9.392 2.166
154 HH22 ARG 17 2HH2 ARG 17 -8.827 9.952 3.628
155 H GLY 18 HN GLY 18 -9.330 2.813 3.887
156 HA2 GLY 18 2HA GLY 18 -11.600 2.726 4.079
157 HA3 GLY 18 1HA GLY 18 -11.711 3.001 2.342
Start of MODEL 20
1 H1 LYS 1 HN LYS 1 -11.003 2.416 0.671
2 HA LYS 1 HA LYS 1 -12.396 -0.034 1.515
3 HB2 LYS 1 2HB LYS 1 -12.823 1.608 -0.976
4 HB3 LYS 1 1HB LYS 1 -13.705 0.166 -0.499
5 HG2 LYS 1 2HG LYS 1 -14.609 1.334 1.428
6 HG3 LYS 1 1HG LYS 1 -13.702 2.778 0.985
7 HD2 LYS 1 2HD LYS 1 -14.897 2.936 -1.117
8 HD3 LYS 1 1HD LYS 1 -15.772 1.452 -0.759
9 HE2 LYS 1 2HE LYS 1 -15.929 4.024 0.818
10 HE3 LYS 1 1HE LYS 1 -17.128 3.451 -0.338
11 HZ1 LYS 1 1HZ LYS 1 -17.837 2.938 1.874
12 HZ2 LYS 1 2HZ LYS 1 -16.403 2.165 2.243
13 HZ3 LYS 1 3HZ LYS 1 -17.446 1.490 1.109
14 H TRP 2 HN TRP 2 -9.590 1.093 -0.022
15 HA TRP 2 HA TRP 2 -9.575 -1.222 -1.805
16 HB2 TRP 2 2HB TRP 2 -9.460 1.224 -2.698
17 HB3 TRP 2 1HB TRP 2 -7.802 1.167 -2.123
18 HD1 TRP 2 1HD TRP 2 -6.501 -1.243 -3.119
19 HE1 TRP 2 1HE TRP 2 -6.443 -2.010 -5.595
20 HE3 TRP 2 3HE TRP 2 -10.513 1.367 -4.807
21 HZ2 TRP 2 2HZ TRP 2 -7.927 -1.496 -7.955
22 HZ3 TRP 2 3HZ TRP 2 -11.136 1.195 -7.173
23 HH2 TRP 2 2HH TRP 2 -9.868 -0.206 -8.711
24 H CYS 3 HN CYS 3 -8.042 -2.667 -1.494
25 HA CYS 3 HA CYS 3 -5.770 -2.042 0.252
26 HB2 CYS 3 2HB CYS 3 -7.183 -4.677 -0.210
27 HB3 CYS 3 1HB CYS 3 -5.723 -4.472 0.751
28 H PHE 4 HN PHE 4 -3.942 -1.985 -0.843
29 HA PHE 4 HA PHE 4 -3.584 -3.797 -3.059
30 HB2 PHE 4 2HB PHE 4 -2.848 -2.009 -4.597
31 HB3 PHE 4 1HB PHE 4 -4.539 -1.847 -4.168
32 HD1 PHE 4 1HD PHE 4 -5.038 -0.115 -2.216
33 HD2 PHE 4 2HD PHE 4 -1.467 -0.172 -4.531
34 HE1 PHE 4 1HE PHE 4 -4.656 2.246 -1.673
35 HE2 PHE 4 2HE PHE 4 -1.076 2.191 -3.977
36 HZ PHE 4 HZ PHE 4 -2.670 3.403 -2.549
37 H ARG 5 HN ARG 5 -1.342 -3.753 -3.818
38 HA ARG 5 HA ARG 5 0.376 -3.619 -1.538
39 HB2 ARG 5 2HB ARG 5 0.621 -5.494 -3.057
40 HB3 ARG 5 1HB ARG 5 0.934 -4.404 -4.395
41 HG2 ARG 5 2HG ARG 5 3.023 -3.728 -3.458
42 HG3 ARG 5 1HG ARG 5 2.690 -4.602 -1.961
43 HD2 ARG 5 2HD ARG 5 2.931 -5.872 -4.666
44 HD3 ARG 5 1HD ARG 5 4.253 -5.781 -3.497
45 HE ARG 5 HE ARG 5 1.864 -6.942 -2.427
46 HH11 ARG 5 1HH1 ARG 5 4.710 -7.732 -4.379
47 HH12 ARG 5 2HH1 ARG 5 4.783 -9.350 -3.847
48 HH21 ARG 5 1HH2 ARG 5 1.991 -9.152 -1.693
49 HH22 ARG 5 2HH2 ARG 5 3.221 -10.162 -2.267
50 H VAL 6 HN VAL 6 1.472 -2.013 -0.986
51 HA VAL 6 HA VAL 6 1.973 0.167 -2.876
52 HB VAL 6 HB VAL 6 1.864 0.225 0.162
53 HG11 VAL 6 1HG1 VAL 6 2.246 2.487 -1.799
54 HG12 VAL 6 2HG1 VAL 6 3.463 1.850 -0.698
55 HG13 VAL 6 3HG1 VAL 6 2.037 2.669 -0.057
56 HG21 VAL 6 1HG2 VAL 6 -0.152 1.591 -0.123
57 HG22 VAL 6 2HG2 VAL 6 -0.349 -0.023 -0.815
58 HG23 VAL 6 3HG2 VAL 6 -0.053 1.357 -1.867
59 H CYS 7 HN CYS 7 4.063 0.498 -3.342
60 HA CYS 7 HA CYS 7 6.003 -0.776 -1.582
61 HB2 CYS 7 2HB CYS 7 6.217 -0.103 -4.527
62 HB3 CYS 7 1HB CYS 7 7.563 -0.661 -3.540
63 H TYR 8 HN TYR 8 7.035 0.485 -0.374
64 HA TYR 8 HA TYR 8 7.393 3.295 -1.140
65 HB2 TYR 8 2HB TYR 8 5.609 2.970 0.563
66 HB3 TYR 8 1HB TYR 8 6.770 2.156 1.594
67 HD1 TYR 8 1HD TYR 8 8.329 3.425 2.921
68 HD2 TYR 8 2HD TYR 8 5.772 5.388 0.155
69 HE1 TYR 8 1HE TYR 8 8.895 5.575 3.937
70 HE2 TYR 8 2HE TYR 8 6.334 7.550 1.157
71 HH TYR 8 HH TYR 8 7.164 8.382 3.375
72 H ARG 9 HN ARG 9 9.510 3.250 -1.694
73 HA ARG 9 HA ARG 9 11.759 3.262 -1.491
74 HB2 ARG 9 2HB ARG 9 11.295 2.913 1.482
75 HB3 ARG 9 1HB ARG 9 12.767 3.489 0.724
76 HG2 ARG 9 2HG ARG 9 11.481 5.480 -0.085
77 HG3 ARG 9 1HG ARG 9 10.106 4.892 0.842
78 HD2 ARG 9 2HD ARG 9 11.556 4.885 2.861
79 HD3 ARG 9 1HD ARG 9 12.798 5.701 1.915
80 HE ARG 9 HE ARG 9 10.277 7.027 1.837
81 HH11 ARG 9 1HH1 ARG 9 13.325 6.780 3.639
82 HH12 ARG 9 2HH1 ARG 9 13.045 8.155 4.589
83 HH21 ARG 9 1HH2 ARG 9 9.854 8.880 3.229
84 HH22 ARG 9 2HH2 ARG 9 11.014 9.379 4.354
85 H GLY 10 HN GLY 10 10.326 0.774 -1.854
86 HA2 GLY 10 2HA GLY 10 11.360 -1.324 -2.389
87 HA3 GLY 10 1HA GLY 10 12.476 -1.059 -1.052
88 H ILE 11 HN ILE 11 9.957 -0.141 0.462
89 HA ILE 11 HA ILE 11 9.443 -2.740 1.615
90 HB ILE 11 HB ILE 11 8.292 -0.033 2.376
91 HG12 ILE 11 2HG1 ILE 11 10.644 -1.452 3.634
92 HG13 ILE 11 1HG1 ILE 11 10.809 -0.176 2.434
93 HG21 ILE 11 1HG2 ILE 11 8.493 -2.631 3.922
94 HG22 ILE 11 2HG2 ILE 11 7.018 -1.936 3.254
95 HG23 ILE 11 3HG2 ILE 11 7.869 -1.110 4.558
96 HD11 ILE 11 1HD1 ILE 11 11.120 0.661 4.701
97 HD12 ILE 11 2HD1 ILE 11 9.511 0.084 5.141
98 HD13 ILE 11 3HD1 ILE 11 9.692 1.378 3.956
99 H CYS 12 HN CYS 12 8.064 -3.897 0.403
100 HA CYS 12 HA CYS 12 5.690 -2.530 -0.615
101 HB2 CYS 12 2HB CYS 12 6.769 -5.254 -1.376
102 HB3 CYS 12 1HB CYS 12 5.339 -4.457 -2.045
103 H TYR 13 HN TYR 13 3.865 -2.750 0.376
104 HA TYR 13 HA TYR 13 3.348 -5.142 1.926
105 HB2 TYR 13 2HB TYR 13 2.613 -3.752 3.862
106 HB3 TYR 13 1HB TYR 13 4.342 -3.698 3.571
107 HD1 TYR 13 1HD TYR 13 1.445 -1.767 4.219
108 HD2 TYR 13 2HD TYR 13 5.174 -1.589 2.172
109 HE1 TYR 13 1HE TYR 13 1.379 0.682 4.291
110 HE2 TYR 13 2HE TYR 13 5.101 0.849 2.234
111 HH TYR 13 HH TYR 13 3.040 2.539 4.239
112 H ARG 14 HN ARG 14 1.110 -5.406 2.414
113 HA ARG 14 HA ARG 14 -0.571 -4.237 0.379
114 HB2 ARG 14 2HB ARG 14 -0.736 -6.649 0.898
115 HB3 ARG 14 1HB ARG 14 -1.207 -6.257 2.543
116 HG2 ARG 14 2HG ARG 14 -3.234 -5.166 1.697
117 HG3 ARG 14 1HG ARG 14 -2.767 -5.599 0.051
118 HD2 ARG 14 2HD ARG 14 -4.381 -7.180 0.900
119 HD3 ARG 14 1HD ARG 14 -2.825 -7.975 0.681
120 HE ARG 14 HE ARG 14 -3.756 -7.002 3.295
121 HH11 ARG 14 1HH1 ARG 14 -2.290 -9.556 1.333
122 HH12 ARG 14 2HH1 ARG 14 -2.259 -10.705 2.577
123 HH21 ARG 14 1HH2 ARG 14 -3.691 -8.590 5.036
124 HH22 ARG 14 2HH2 ARG 14 -3.057 -10.126 4.742
125 H LYS 15 HN LYS 15 -1.127 -2.251 0.825
126 HA LYS 15 HA LYS 15 -1.887 -1.592 3.559
127 HB2 LYS 15 2HB LYS 15 -0.068 -0.263 2.608
128 HB3 LYS 15 1HB LYS 15 -1.079 0.174 1.247
129 HG2 LYS 15 2HG LYS 15 -0.880 2.005 2.839
130 HG3 LYS 15 1HG LYS 15 -2.546 1.433 2.734
131 HD2 LYS 15 2HD LYS 15 -2.268 0.177 4.781
132 HD3 LYS 15 1HD LYS 15 -0.578 0.656 4.894
133 HE2 LYS 15 2HE LYS 15 -2.010 1.995 6.376
134 HE3 LYS 15 1HE LYS 15 -1.234 2.980 5.138
135 HZ1 LYS 15 1HZ LYS 15 -3.584 3.541 5.470
136 HZ2 LYS 15 2HZ LYS 15 -4.050 2.000 4.983
137 HZ3 LYS 15 3HZ LYS 15 -3.265 3.031 3.904
138 H CYS 16 HN CYS 16 -3.898 -0.942 4.002
139 HA CYS 16 HA CYS 16 -5.809 -0.852 1.799
140 HB2 CYS 16 2HB CYS 16 -6.205 -1.422 4.741
141 HB3 CYS 16 1HB CYS 16 -7.499 -1.310 3.557
142 H ARG 17 HN ARG 17 -6.726 0.972 1.401
143 HA ARG 17 HA ARG 17 -6.660 3.053 3.440
144 HB2 ARG 17 2HB ARG 17 -4.940 3.459 1.679
145 HB3 ARG 17 1HB ARG 17 -6.211 3.433 0.473
146 HG2 ARG 17 2HG ARG 17 -7.242 5.389 1.439
147 HG3 ARG 17 1HG ARG 17 -6.054 5.397 2.742
148 HD2 ARG 17 2HD ARG 17 -4.269 5.823 1.142
149 HD3 ARG 17 1HD ARG 17 -5.428 5.729 -0.186
150 HE ARG 17 HE ARG 17 -6.449 7.599 1.457
151 HH11 ARG 17 1HH1 ARG 17 -3.308 7.333 -0.189
152 HH12 ARG 17 2HH1 ARG 17 -3.111 9.019 -0.349
153 HH21 ARG 17 1HH2 ARG 17 -6.183 9.855 1.187
154 HH22 ARG 17 2HH2 ARG 17 -4.766 10.484 0.439
155 H GLY 18 HN GLY 18 -8.696 2.967 4.035
156 HA2 GLY 18 2HA GLY 18 -10.926 3.440 3.931
157 HA3 GLY 18 1HA GLY 18 -10.699 3.884 2.249