Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641549 | 6pio RC | 30620 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HN ARG 1 11.982 -0.437 0.650
2 HA ARG 1 HA ARG 1 12.147 1.556 2.810
3 HB2 ARG 1 2HB ARG 1 14.329 1.524 1.711
4 HB3 ARG 1 1HB ARG 1 13.571 1.704 0.144
5 HG2 ARG 1 2HG ARG 1 12.795 3.939 0.784
6 HG3 ARG 1 1HG ARG 1 13.590 3.758 2.350
7 HD2 ARG 1 2HD ARG 1 15.008 5.024 0.828
8 HD3 ARG 1 1HD ARG 1 15.743 3.469 1.210
9 HE ARG 1 HE ARG 1 14.148 3.495 -1.186
10 HH11 ARG 1 1HH1 ARG 1 17.387 3.914 0.132
11 HH12 ARG 1 2HH1 ARG 1 18.202 3.674 -1.340
12 HH21 ARG 1 1HH2 ARG 1 15.239 3.165 -3.249
13 HH22 ARG 1 2HH2 ARG 1 16.934 3.246 -3.316
14 H TRP 2 HN TRP 2 11.178 0.700 -0.452
15 HA TRP 2 HA TRP 2 9.632 2.988 -0.982
16 HB2 TRP 2 2HB TRP 2 10.585 1.568 -2.750
17 HB3 TRP 2 1HB TRP 2 9.573 0.232 -2.226
18 HD1 TRP 2 1HD TRP 2 8.492 3.884 -2.933
19 HE1 TRP 2 1HE TRP 2 6.693 3.827 -4.801
20 HE3 TRP 2 3HE TRP 2 8.513 -1.122 -3.957
21 HZ2 TRP 2 2HZ TRP 2 5.459 1.922 -6.459
22 HZ3 TRP 2 3HZ TRP 2 6.994 -1.981 -5.705
23 HH2 TRP 2 2HH TRP 2 5.506 -0.484 -6.924
24 H CYS 3 HN CYS 3 7.936 3.488 0.118
25 HA CYS 3 HA CYS 3 6.063 1.415 0.971
26 HB2 CYS 3 2HB CYS 3 6.501 4.203 2.059
27 HB3 CYS 3 1HB CYS 3 5.240 3.095 2.591
28 H PHE 4 HN PHE 4 4.189 1.375 0.027
29 HA PHE 4 HA PHE 4 3.306 3.723 -1.447
30 HB2 PHE 4 2HB PHE 4 2.564 2.175 -3.301
31 HB3 PHE 4 1HB PHE 4 4.302 2.370 -3.140
32 HD1 PHE 4 1HD PHE 4 5.682 0.554 -2.299
33 HD2 PHE 4 2HD PHE 4 1.499 0.062 -2.860
34 HE1 PHE 4 1HE PHE 4 5.952 -1.870 -2.150
35 HE2 PHE 4 2HE PHE 4 1.768 -2.372 -2.713
36 HZ PHE 4 HZ PHE 4 3.986 -3.339 -2.356
37 H ARG 5 HN ARG 5 1.135 3.976 -1.611
38 HA ARG 5 HA ARG 5 -0.443 2.455 0.313
39 HB2 ARG 5 2HB ARG 5 -0.384 4.894 0.547
40 HB3 ARG 5 1HB ARG 5 -0.991 5.072 -1.089
41 HG2 ARG 5 2HG ARG 5 -3.078 3.998 -0.445
42 HG3 ARG 5 1HG ARG 5 -2.478 3.791 1.196
43 HD2 ARG 5 2HD ARG 5 -3.944 5.744 1.067
44 HD3 ARG 5 1HD ARG 5 -2.288 6.243 1.410
45 HE ARG 5 HE ARG 5 -2.348 6.443 -1.234
46 HH11 ARG 5 1HH1 ARG 5 -4.770 7.599 1.119
47 HH12 ARG 5 2HH1 ARG 5 -5.193 8.944 0.175
48 HH21 ARG 5 1HH2 ARG 5 -2.955 8.269 -2.470
49 HH22 ARG 5 2HH2 ARG 5 -4.136 9.367 -1.885
50 H VAL 6 HN VAL 6 -1.658 0.903 -0.426
51 HA VAL 6 HA VAL 6 -2.544 0.938 -3.223
52 HB VAL 6 HB VAL 6 -2.655 -1.347 -1.227
53 HG11 VAL 6 1HG1 VAL 6 -3.046 -1.347 -4.218
54 HG12 VAL 6 2HG1 VAL 6 -4.310 -1.531 -3.004
55 HG13 VAL 6 3HG1 VAL 6 -3.065 -2.768 -3.175
56 HG21 VAL 6 1HG2 VAL 6 -0.339 -0.787 -1.692
57 HG22 VAL 6 2HG2 VAL 6 -0.653 -0.858 -3.426
58 HG23 VAL 6 3HG2 VAL 6 -0.764 -2.322 -2.449
59 H CYS 7 HN CYS 7 -4.586 1.522 -3.554
60 HA CYS 7 HA CYS 7 -6.480 1.274 -1.332
61 HB2 CYS 7 2HB CYS 7 -6.502 3.213 -3.653
62 HB3 CYS 7 1HB CYS 7 -7.724 3.100 -2.393
63 H TYR 8 HN TYR 8 -8.102 -0.087 -1.626
64 HA TYR 8 HA TYR 8 -9.009 -0.558 -4.331
65 HB2 TYR 8 2HB TYR 8 -8.942 -2.947 -4.203
66 HB3 TYR 8 1HB TYR 8 -7.363 -2.375 -3.715
67 HD1 TYR 8 1HD TYR 8 -9.825 -4.682 -3.067
68 HD2 TYR 8 2HD TYR 8 -7.205 -2.068 -1.001
69 HE1 TYR 8 1HE TYR 8 -9.997 -6.111 -1.091
70 HE2 TYR 8 2HE TYR 8 -7.360 -3.492 1.006
71 HH TYR 8 HH TYR 8 -8.983 -5.167 1.960
72 H ARG 9 HN ARG 9 -11.096 -0.374 -4.450
73 HA ARG 9 HA ARG 9 -13.294 -0.199 -3.940
74 HB2 ARG 9 2HB ARG 9 -12.924 -2.630 -3.505
75 HB3 ARG 9 1HB ARG 9 -12.621 -2.259 -1.821
76 HG2 ARG 9 2HG ARG 9 -14.931 -1.493 -1.571
77 HG3 ARG 9 1HG ARG 9 -15.228 -1.838 -3.277
78 HD2 ARG 9 2HD ARG 9 -16.031 -3.649 -1.845
79 HD3 ARG 9 1HD ARG 9 -14.733 -4.187 -2.905
80 HE ARG 9 HE ARG 9 -14.211 -3.408 -0.125
81 HH11 ARG 9 1HH1 ARG 9 -13.902 -5.810 -2.713
82 HH12 ARG 9 2HH1 ARG 9 -13.056 -6.929 -1.738
83 HH21 ARG 9 1HH2 ARG 9 -13.047 -4.915 1.148
84 HH22 ARG 9 2HH2 ARG 9 -12.574 -6.433 0.507
85 H GLY 10 HN GLY 10 -11.271 1.459 -2.467
86 HA2 GLY 10 2HA GLY 10 -11.896 3.421 -1.242
87 HA3 GLY 10 1HA GLY 10 -13.132 2.472 -0.434
88 H ILE 11 HN ILE 11 -10.698 0.405 -0.336
89 HA ILE 11 HA ILE 11 -9.860 1.356 2.299
90 HB ILE 11 HB ILE 11 -9.688 -1.397 1.053
91 HG12 ILE 11 2HG1 ILE 11 -11.945 -0.810 1.704
92 HG13 ILE 11 1HG1 ILE 11 -11.308 -2.027 2.805
93 HG21 ILE 11 1HG2 ILE 11 -7.771 -1.056 2.510
94 HG22 ILE 11 2HG2 ILE 11 -8.902 -2.200 3.232
95 HG23 ILE 11 3HG2 ILE 11 -8.836 -0.538 3.817
96 HD11 ILE 11 1HD1 ILE 11 -11.574 0.927 3.354
97 HD12 ILE 11 2HD1 ILE 11 -10.850 -0.241 4.448
98 HD13 ILE 11 3HD1 ILE 11 -12.562 -0.368 4.036
99 H CYS 12 HN CYS 12 -8.052 2.359 2.427
100 HA CYS 12 HA CYS 12 -5.899 1.783 0.528
101 HB2 CYS 12 2HB CYS 12 -6.452 4.160 2.276
102 HB3 CYS 12 1HB CYS 12 -5.017 3.977 1.266
103 H TYR 13 HN TYR 13 -4.100 0.882 1.245
104 HA TYR 13 HA TYR 13 -3.374 1.128 4.045
105 HB2 TYR 13 2HB TYR 13 -2.773 -1.280 4.139
106 HB3 TYR 13 1HB TYR 13 -4.498 -1.045 3.912
107 HD1 TYR 13 1HD TYR 13 -1.405 -2.258 2.416
108 HD2 TYR 13 2HD TYR 13 -5.561 -1.672 1.790
109 HE1 TYR 13 1HE TYR 13 -1.315 -3.752 0.474
110 HE2 TYR 13 2HE TYR 13 -5.483 -3.162 -0.152
111 HH TYR 13 HH TYR 13 -3.950 -4.064 -1.726
112 H ARG 14 HN ARG 14 -1.138 1.031 4.364
113 HA ARG 14 HA ARG 14 0.392 1.515 1.918
114 HB2 ARG 14 2HB ARG 14 0.395 3.296 3.581
115 HB3 ARG 14 1HB ARG 14 0.983 2.182 4.800
116 HG2 ARG 14 2HG ARG 14 3.030 1.867 3.374
117 HG3 ARG 14 1HG ARG 14 2.446 3.202 2.379
118 HD2 ARG 14 2HD ARG 14 4.037 4.006 4.032
119 HD3 ARG 14 1HD ARG 14 2.421 4.646 4.353
120 HE ARG 14 HE ARG 14 2.440 2.479 5.891
121 HH11 ARG 14 1HH1 ARG 14 4.923 4.989 5.581
122 HH12 ARG 14 2HH1 ARG 14 5.444 4.868 7.189
123 HH21 ARG 14 1HH2 ARG 14 3.185 2.290 8.102
124 HH22 ARG 14 2HH2 ARG 14 4.433 3.316 8.641
125 H LYS 15 HN LYS 15 1.833 0.107 1.266
126 HA LYS 15 HA LYS 15 2.832 -1.910 3.150
127 HB2 LYS 15 2HB LYS 15 2.501 -2.061 0.150
128 HB3 LYS 15 1HB LYS 15 3.439 -3.225 1.069
129 HG2 LYS 15 2HG LYS 15 0.498 -2.676 1.408
130 HG3 LYS 15 1HG LYS 15 1.202 -4.058 0.565
131 HD2 LYS 15 2HD LYS 15 2.320 -4.727 2.674
132 HD3 LYS 15 1HD LYS 15 1.518 -3.392 3.495
133 HE2 LYS 15 2HE LYS 15 -0.655 -4.356 2.953
134 HE3 LYS 15 1HE LYS 15 0.146 -5.695 2.130
135 HZ1 LYS 15 1HZ LYS 15 0.379 -5.038 5.018
136 HZ2 LYS 15 2HZ LYS 15 1.182 -6.301 4.261
137 HZ3 LYS 15 3HZ LYS 15 -0.478 -6.328 4.370
138 H CYS 16 HN CYS 16 5.052 -2.358 3.141
139 HA CYS 16 HA CYS 16 6.698 -0.399 1.705
140 HB2 CYS 16 2HB CYS 16 7.031 -1.267 4.584
141 HB3 CYS 16 1HB CYS 16 8.202 -0.316 3.680
142 H ARG 17 HN ARG 17 8.116 -1.299 0.473
143 HA ARG 17 HA ARG 17 9.043 -4.002 1.147
144 HB2 ARG 17 2HB ARG 17 8.929 -2.677 -1.578
145 HB3 ARG 17 1HB ARG 17 9.575 -4.280 -1.259
146 HG2 ARG 17 2HG ARG 17 7.384 -5.038 -0.542
147 HG3 ARG 17 1HG ARG 17 6.719 -3.429 -0.827
148 HD2 ARG 17 2HD ARG 17 7.388 -3.640 -3.211
149 HD3 ARG 17 1HD ARG 17 7.902 -5.295 -2.879
150 HE ARG 17 HE ARG 17 5.378 -5.285 -2.002
151 HH11 ARG 17 1HH1 ARG 17 6.816 -4.392 -5.112
152 HH12 ARG 17 2HH1 ARG 17 5.381 -4.624 -6.002
153 HH21 ARG 17 1HH2 ARG 17 3.419 -5.595 -3.232
154 HH22 ARG 17 2HH2 ARG 17 3.400 -5.347 -4.914
155 H GLY 18 HN GLY 18 10.688 -3.364 2.464
156 HA2 GLY 18 2HA GLY 18 12.927 -2.976 2.813
157 HA3 GLY 18 1HA GLY 18 13.062 -2.460 1.133
Start of MODEL 2
1 H1 ARG 1 HN ARG 1 13.004 0.485 1.317
2 HA ARG 1 HA ARG 1 11.584 1.852 3.487
3 HB2 ARG 1 2HB ARG 1 12.920 3.876 2.943
4 HB3 ARG 1 1HB ARG 1 13.922 2.526 3.441
5 HG2 ARG 1 2HG ARG 1 14.597 2.128 1.169
6 HG3 ARG 1 1HG ARG 1 13.475 3.360 0.578
7 HD2 ARG 1 2HD ARG 1 14.718 5.069 1.795
8 HD3 ARG 1 1HD ARG 1 15.803 3.839 2.433
9 HE ARG 1 HE ARG 1 16.291 3.412 -0.028
10 HH11 ARG 1 1HH1 ARG 1 15.395 6.655 1.118
11 HH12 ARG 1 2HH1 ARG 1 16.509 7.470 0.144
12 HH21 ARG 1 1HH2 ARG 1 17.849 4.558 -1.378
13 HH22 ARG 1 2HH2 ARG 1 17.937 6.256 -1.315
14 H TRP 2 HN TRP 2 11.257 0.872 0.412
15 HA TRP 2 HA TRP 2 9.841 3.171 -0.635
16 HB2 TRP 2 2HB TRP 2 11.272 1.644 -2.055
17 HB3 TRP 2 1HB TRP 2 10.104 0.368 -1.751
18 HD1 TRP 2 1HD TRP 2 7.536 0.924 -2.702
19 HE1 TRP 2 1HE TRP 2 6.863 2.145 -4.915
20 HE3 TRP 2 3HE TRP 2 11.923 3.307 -3.687
21 HZ2 TRP 2 2HZ TRP 2 8.051 3.854 -6.776
22 HZ3 TRP 2 3HZ TRP 2 12.087 4.705 -5.693
23 HH2 TRP 2 2HH TRP 2 10.188 4.975 -7.205
24 H CYS 3 HN CYS 3 7.895 3.498 0.298
25 HA CYS 3 HA CYS 3 6.252 1.126 0.760
26 HB2 CYS 3 2HB CYS 3 6.036 3.862 2.017
27 HB3 CYS 3 1HB CYS 3 4.995 2.488 2.354
28 H PHE 4 HN PHE 4 4.412 0.898 -0.300
29 HA PHE 4 HA PHE 4 3.538 3.145 -1.944
30 HB2 PHE 4 2HB PHE 4 2.808 1.456 -3.655
31 HB3 PHE 4 1HB PHE 4 4.544 1.578 -3.452
32 HD1 PHE 4 1HD PHE 4 5.808 -0.263 -2.437
33 HD2 PHE 4 2HD PHE 4 1.608 -0.554 -3.074
34 HE1 PHE 4 1HE PHE 4 5.939 -2.703 -2.147
35 HE2 PHE 4 2HE PHE 4 1.732 -2.993 -2.776
36 HZ PHE 4 HZ PHE 4 3.898 -4.070 -2.313
37 H ARG 5 HN ARG 5 1.368 3.423 -2.218
38 HA ARG 5 HA ARG 5 -0.289 2.195 -0.148
39 HB2 ARG 5 2HB ARG 5 -0.141 4.568 0.066
40 HB3 ARG 5 1HB ARG 5 -0.419 4.801 -1.650
41 HG2 ARG 5 2HG ARG 5 -2.726 4.047 -1.378
42 HG3 ARG 5 1HG ARG 5 -2.445 3.814 0.349
43 HD2 ARG 5 2HD ARG 5 -2.036 6.153 0.667
44 HD3 ARG 5 1HD ARG 5 -2.024 6.430 -1.073
45 HE ARG 5 HE ARG 5 -4.466 5.410 -0.614
46 HH11 ARG 5 1HH1 ARG 5 -2.748 8.095 0.947
47 HH12 ARG 5 2HH1 ARG 5 -4.123 9.091 1.060
48 HH21 ARG 5 1HH2 ARG 5 -6.372 6.784 -0.398
49 HH22 ARG 5 2HH2 ARG 5 -6.203 8.322 0.324
50 H VAL 6 HN VAL 6 -1.748 0.775 -0.775
51 HA VAL 6 HA VAL 6 -2.635 0.802 -3.567
52 HB VAL 6 HB VAL 6 -2.802 -1.493 -1.581
53 HG11 VAL 6 1HG1 VAL 6 -3.315 -2.871 -3.549
54 HG12 VAL 6 2HG1 VAL 6 -3.286 -1.424 -4.557
55 HG13 VAL 6 3HG1 VAL 6 -4.510 -1.597 -3.300
56 HG21 VAL 6 1HG2 VAL 6 -0.988 -2.552 -2.845
57 HG22 VAL 6 2HG2 VAL 6 -0.467 -1.033 -2.117
58 HG23 VAL 6 3HG2 VAL 6 -0.838 -1.105 -3.840
59 H CYS 7 HN CYS 7 -4.764 1.222 -3.900
60 HA CYS 7 HA CYS 7 -6.518 1.225 -1.559
61 HB2 CYS 7 2HB CYS 7 -6.452 3.233 -3.813
62 HB3 CYS 7 1HB CYS 7 -7.688 3.145 -2.563
63 H TYR 8 HN TYR 8 -8.338 0.163 -1.747
64 HA TYR 8 HA TYR 8 -9.584 -0.214 -4.312
65 HB2 TYR 8 2HB TYR 8 -9.581 -2.624 -4.292
66 HB3 TYR 8 1HB TYR 8 -7.925 -2.127 -3.976
67 HD1 TYR 8 1HD TYR 8 -7.288 -1.985 -1.416
68 HD2 TYR 8 2HD TYR 8 -10.482 -4.255 -3.015
69 HE1 TYR 8 1HE TYR 8 -7.220 -3.463 0.555
70 HE2 TYR 8 2HE TYR 8 -10.442 -5.724 -1.073
71 HH TYR 8 HH TYR 8 -8.871 -6.416 0.608
72 H ARG 9 HN ARG 9 -11.757 -0.060 -4.024
73 HA ARG 9 HA ARG 9 -13.812 0.005 -3.074
74 HB2 ARG 9 2HB ARG 9 -13.302 -2.361 -2.522
75 HB3 ARG 9 1HB ARG 9 -12.581 -1.855 -1.007
76 HG2 ARG 9 2HG ARG 9 -14.763 -1.048 -0.253
77 HG3 ARG 9 1HG ARG 9 -15.479 -1.577 -1.777
78 HD2 ARG 9 2HD ARG 9 -15.875 -3.216 -0.028
79 HD3 ARG 9 1HD ARG 9 -14.823 -3.868 -1.281
80 HE ARG 9 HE ARG 9 -13.196 -2.824 0.698
81 HH11 ARG 9 1HH1 ARG 9 -15.581 -5.408 0.369
82 HH12 ARG 9 2HH1 ARG 9 -14.899 -6.412 1.558
83 HH21 ARG 9 1HH2 ARG 9 -12.197 -4.257 2.368
84 HH22 ARG 9 2HH2 ARG 9 -12.945 -5.734 2.691
85 H GLY 10 HN GLY 10 -11.491 1.780 -2.122
86 HA2 GLY 10 2HA GLY 10 -11.622 3.746 -0.842
87 HA3 GLY 10 1HA GLY 10 -12.962 3.041 0.057
88 H ILE 11 HN ILE 11 -10.683 0.707 -0.148
89 HA ILE 11 HA ILE 11 -9.652 1.350 2.507
90 HB ILE 11 HB ILE 11 -9.569 -1.272 0.984
91 HG12 ILE 11 2HG1 ILE 11 -11.866 -0.714 1.587
92 HG13 ILE 11 1HG1 ILE 11 -11.300 -2.033 2.600
93 HG21 ILE 11 1HG2 ILE 11 -8.853 -0.646 3.854
94 HG22 ILE 11 2HG2 ILE 11 -7.721 -1.045 2.563
95 HG23 ILE 11 3HG2 ILE 11 -8.863 -2.258 3.135
96 HD11 ILE 11 1HD1 ILE 11 -12.582 -0.443 3.894
97 HD12 ILE 11 2HD1 ILE 11 -11.504 0.859 3.376
98 HD13 ILE 11 3HD1 ILE 11 -10.889 -0.423 4.411
99 H CYS 12 HN CYS 12 -7.794 2.268 2.554
100 HA CYS 12 HA CYS 12 -5.894 1.717 0.420
101 HB2 CYS 12 2HB CYS 12 -6.386 4.062 2.176
102 HB3 CYS 12 1HB CYS 12 -4.905 3.920 1.199
103 H TYR 13 HN TYR 13 -4.226 0.571 0.977
104 HA TYR 13 HA TYR 13 -3.312 0.704 3.734
105 HB2 TYR 13 2HB TYR 13 -2.816 -1.708 3.708
106 HB3 TYR 13 1HB TYR 13 -4.528 -1.408 3.498
107 HD1 TYR 13 1HD TYR 13 -1.561 -2.906 2.113
108 HD2 TYR 13 2HD TYR 13 -5.540 -1.728 1.194
109 HE1 TYR 13 1HE TYR 13 -1.540 -4.389 0.166
110 HE2 TYR 13 2HE TYR 13 -5.526 -3.210 -0.770
111 HH TYR 13 HH TYR 13 -3.966 -4.319 -2.248
112 H ARG 14 HN ARG 14 -1.086 0.531 3.998
113 HA ARG 14 HA ARG 14 0.352 1.092 1.513
114 HB2 ARG 14 2HB ARG 14 0.239 2.921 3.183
115 HB3 ARG 14 1HB ARG 14 1.043 1.873 4.342
116 HG2 ARG 14 2HG ARG 14 2.969 1.732 2.790
117 HG3 ARG 14 1HG ARG 14 2.174 2.926 1.762
118 HD2 ARG 14 2HD ARG 14 3.768 4.048 3.182
119 HD3 ARG 14 1HD ARG 14 2.133 4.480 3.685
120 HE ARG 14 HE ARG 14 2.603 2.461 5.314
121 HH11 ARG 14 1HH1 ARG 14 4.781 5.129 4.490
122 HH12 ARG 14 2HH1 ARG 14 5.538 5.122 6.017
123 HH21 ARG 14 1HH2 ARG 14 3.648 2.464 7.346
124 HH22 ARG 14 2HH2 ARG 14 4.902 3.568 7.674
125 H LYS 15 HN LYS 15 1.845 -0.288 0.937
126 HA LYS 15 HA LYS 15 2.772 -2.262 2.891
127 HB2 LYS 15 2HB LYS 15 2.571 -2.455 -0.117
128 HB3 LYS 15 1HB LYS 15 3.324 -3.676 0.893
129 HG2 LYS 15 2HG LYS 15 0.442 -2.816 1.069
130 HG3 LYS 15 1HG LYS 15 1.014 -4.239 0.206
131 HD2 LYS 15 2HD LYS 15 1.392 -3.751 3.169
132 HD3 LYS 15 1HD LYS 15 0.109 -4.730 2.480
133 HE2 LYS 15 2HE LYS 15 3.077 -5.260 2.196
134 HE3 LYS 15 1HE LYS 15 1.982 -6.103 3.280
135 HZ1 LYS 15 1HZ LYS 15 2.381 -7.366 1.284
136 HZ2 LYS 15 2HZ LYS 15 1.798 -6.126 0.305
137 HZ3 LYS 15 3HZ LYS 15 0.767 -6.922 1.370
138 H CYS 16 HN CYS 16 4.893 -2.393 3.257
139 HA CYS 16 HA CYS 16 6.564 -0.494 1.809
140 HB2 CYS 16 2HB CYS 16 6.768 -1.484 4.645
141 HB3 CYS 16 1HB CYS 16 8.015 -0.530 3.847
142 H ARG 17 HN ARG 17 8.190 -1.141 0.716
143 HA ARG 17 HA ARG 17 9.244 -3.814 1.180
144 HB2 ARG 17 2HB ARG 17 7.972 -3.631 -0.949
145 HB3 ARG 17 1HB ARG 17 9.018 -2.308 -1.436
146 HG2 ARG 17 2HG ARG 17 10.901 -3.762 -1.596
147 HG3 ARG 17 1HG ARG 17 9.995 -5.094 -0.867
148 HD2 ARG 17 2HD ARG 17 9.319 -3.746 -3.470
149 HD3 ARG 17 1HD ARG 17 10.143 -5.303 -3.317
150 HE ARG 17 HE ARG 17 7.932 -5.721 -1.895
151 HH11 ARG 17 1HH1 ARG 17 8.281 -4.349 -5.167
152 HH12 ARG 17 2HH1 ARG 17 6.777 -4.944 -5.700
153 HH21 ARG 17 1HH2 ARG 17 5.886 -6.523 -2.661
154 HH22 ARG 17 2HH2 ARG 17 5.384 -6.192 -4.251
155 H GLY 18 HN GLY 18 10.894 -3.221 2.464
156 HA2 GLY 18 2HA GLY 18 12.970 -2.362 2.985
157 HA3 GLY 18 1HA GLY 18 13.035 -1.652 1.369
Start of MODEL 3
1 H1 ARG 1 HN ARG 1 11.807 -0.336 1.029
2 HA ARG 1 HA ARG 1 11.451 1.262 3.377
3 HB2 ARG 1 2HB ARG 1 13.881 1.553 3.070
4 HB3 ARG 1 1HB ARG 1 13.613 2.077 1.414
5 HG2 ARG 1 2HG ARG 1 12.550 4.089 2.143
6 HG3 ARG 1 1HG ARG 1 12.517 3.532 3.812
7 HD2 ARG 1 2HD ARG 1 15.043 4.029 2.241
8 HD3 ARG 1 1HD ARG 1 14.309 5.199 3.335
9 HE ARG 1 HE ARG 1 14.553 3.323 5.030
10 HH11 ARG 1 1HH1 ARG 1 16.891 3.863 2.416
11 HH12 ARG 1 2HH1 ARG 1 18.234 3.331 3.305
12 HH21 ARG 1 1HH2 ARG 1 16.433 2.564 6.260
13 HH22 ARG 1 2HH2 ARG 1 17.962 2.538 5.520
14 H TRP 2 HN TRP 2 11.379 0.878 -0.073
15 HA TRP 2 HA TRP 2 9.864 3.123 -0.765
16 HB2 TRP 2 2HB TRP 2 10.994 1.520 -2.371
17 HB3 TRP 2 1HB TRP 2 9.735 0.352 -2.002
18 HD1 TRP 2 1HD TRP 2 7.132 1.414 -2.577
19 HE1 TRP 2 1HE TRP 2 6.421 2.673 -4.713
20 HE3 TRP 2 3HE TRP 2 11.715 2.872 -4.223
21 HZ2 TRP 2 2HZ TRP 2 7.641 4.072 -6.813
22 HZ3 TRP 2 3HZ TRP 2 11.862 4.162 -6.321
23 HH2 TRP 2 2HH TRP 2 9.862 4.742 -7.579
24 H CYS 3 HN CYS 3 7.870 3.633 -0.135
25 HA CYS 3 HA CYS 3 6.093 1.467 0.704
26 HB2 CYS 3 2HB CYS 3 6.113 4.362 1.574
27 HB3 CYS 3 1HB CYS 3 4.939 3.155 2.079
28 H PHE 4 HN PHE 4 4.265 1.207 -0.347
29 HA PHE 4 HA PHE 4 3.367 3.402 -2.006
30 HB2 PHE 4 2HB PHE 4 2.645 1.762 -3.757
31 HB3 PHE 4 1HB PHE 4 4.381 1.937 -3.586
32 HD1 PHE 4 1HD PHE 4 1.566 -0.320 -3.465
33 HD2 PHE 4 2HD PHE 4 5.690 0.086 -2.502
34 HE1 PHE 4 1HE PHE 4 1.783 -2.770 -3.326
35 HE2 PHE 4 2HE PHE 4 5.907 -2.348 -2.360
36 HZ PHE 4 HZ PHE 4 3.952 -3.781 -2.775
37 H ARG 5 HN ARG 5 1.386 3.931 -1.864
38 HA ARG 5 HA ARG 5 -0.368 2.568 -0.007
39 HB2 ARG 5 2HB ARG 5 -0.186 4.972 0.166
40 HB3 ARG 5 1HB ARG 5 -0.554 5.166 -1.536
41 HG2 ARG 5 2HG ARG 5 -2.828 4.291 -1.107
42 HG3 ARG 5 1HG ARG 5 -2.440 4.224 0.614
43 HD2 ARG 5 2HD ARG 5 -2.139 6.596 0.710
44 HD3 ARG 5 1HD ARG 5 -2.250 6.732 -1.044
45 HE ARG 5 HE ARG 5 -4.583 5.565 0.085
46 HH11 ARG 5 1HH1 ARG 5 -3.014 8.688 -0.408
47 HH12 ARG 5 2HH1 ARG 5 -4.452 9.572 -0.510
48 HH21 ARG 5 1HH2 ARG 5 -6.593 6.766 -0.052
49 HH22 ARG 5 2HH2 ARG 5 -6.551 8.438 -0.292
50 H VAL 6 HN VAL 6 -1.807 1.138 -0.684
51 HA VAL 6 HA VAL 6 -2.761 1.291 -3.464
52 HB VAL 6 HB VAL 6 -2.671 -1.180 -1.697
53 HG11 VAL 6 1HG1 VAL 6 -3.350 -0.880 -4.622
54 HG12 VAL 6 2HG1 VAL 6 -4.474 -1.261 -3.319
55 HG13 VAL 6 3HG1 VAL 6 -3.211 -2.410 -3.757
56 HG21 VAL 6 1HG2 VAL 6 -0.408 -0.518 -2.316
57 HG22 VAL 6 2HG2 VAL 6 -0.880 -0.455 -4.016
58 HG23 VAL 6 3HG2 VAL 6 -0.876 -1.995 -3.157
59 H CYS 7 HN CYS 7 -4.902 1.576 -3.693
60 HA CYS 7 HA CYS 7 -6.603 1.218 -1.341
61 HB2 CYS 7 2HB CYS 7 -6.774 3.391 -3.433
62 HB3 CYS 7 1HB CYS 7 -7.913 3.147 -2.116
63 H TYR 8 HN TYR 8 -8.163 -0.153 -1.656
64 HA TYR 8 HA TYR 8 -9.243 -0.450 -4.344
65 HB2 TYR 8 2HB TYR 8 -9.296 -2.874 -4.171
66 HB3 TYR 8 1HB TYR 8 -7.655 -2.327 -3.853
67 HD1 TYR 8 1HD TYR 8 -6.882 -2.244 -1.442
68 HD2 TYR 8 2HD TYR 8 -10.438 -4.210 -2.637
69 HE1 TYR 8 1HE TYR 8 -6.869 -3.541 0.662
70 HE2 TYR 8 2HE TYR 8 -10.451 -5.502 -0.560
71 HH TYR 8 HH TYR 8 -8.876 -6.240 1.143
72 H ARG 9 HN ARG 9 -11.309 -0.030 -4.311
73 HA ARG 9 HA ARG 9 -13.452 0.318 -3.690
74 HB2 ARG 9 2HB ARG 9 -13.257 -2.211 -3.532
75 HB3 ARG 9 1HB ARG 9 -13.040 -2.021 -1.801
76 HG2 ARG 9 2HG ARG 9 -15.260 -1.040 -1.617
77 HG3 ARG 9 1HG ARG 9 -15.476 -1.175 -3.362
78 HD2 ARG 9 2HD ARG 9 -15.213 -3.627 -3.160
79 HD3 ARG 9 1HD ARG 9 -15.105 -3.439 -1.410
80 HE ARG 9 HE ARG 9 -17.409 -2.188 -2.083
81 HH11 ARG 9 1HH1 ARG 9 -16.159 -5.480 -2.458
82 HH12 ARG 9 2HH1 ARG 9 -17.695 -6.216 -2.572
83 HH21 ARG 9 1HH2 ARG 9 -19.561 -3.242 -2.176
84 HH22 ARG 9 2HH2 ARG 9 -19.650 -4.923 -2.412
85 H GLY 10 HN GLY 10 -11.292 1.643 -2.145
86 HA2 GLY 10 2HA GLY 10 -11.722 3.449 -0.657
87 HA3 GLY 10 1HA GLY 10 -12.946 2.468 0.138
88 H ILE 11 HN ILE 11 -10.732 0.244 -0.120
89 HA ILE 11 HA ILE 11 -9.646 0.845 2.508
90 HB ILE 11 HB ILE 11 -9.412 -1.712 0.882
91 HG12 ILE 11 2HG1 ILE 11 -11.717 -1.260 1.574
92 HG13 ILE 11 1HG1 ILE 11 -11.056 -2.615 2.480
93 HG21 ILE 11 1HG2 ILE 11 -7.540 -1.455 2.435
94 HG22 ILE 11 2HG2 ILE 11 -8.619 -2.743 2.965
95 HG23 ILE 11 3HG2 ILE 11 -8.668 -1.172 3.765
96 HD11 ILE 11 1HD1 ILE 11 -12.368 -1.149 3.924
97 HD12 ILE 11 2HD1 ILE 11 -11.343 0.217 3.482
98 HD13 ILE 11 3HD1 ILE 11 -10.667 -1.128 4.395
99 H CYS 12 HN CYS 12 -8.002 2.041 2.547
100 HA CYS 12 HA CYS 12 -5.895 1.746 0.559
101 HB2 CYS 12 2HB CYS 12 -6.557 3.879 2.545
102 HB3 CYS 12 1HB CYS 12 -5.084 3.903 1.564
103 H TYR 13 HN TYR 13 -4.102 0.755 1.078
104 HA TYR 13 HA TYR 13 -3.274 0.780 3.857
105 HB2 TYR 13 2HB TYR 13 -2.525 -1.566 3.710
106 HB3 TYR 13 1HB TYR 13 -4.260 -1.427 3.497
107 HD1 TYR 13 1HD TYR 13 -1.101 -2.329 1.949
108 HD2 TYR 13 2HD TYR 13 -5.275 -1.890 1.296
109 HE1 TYR 13 1HE TYR 13 -0.912 -3.661 -0.090
110 HE2 TYR 13 2HE TYR 13 -5.106 -3.224 -0.749
111 HH TYR 13 HH TYR 13 -3.341 -3.906 -2.420
112 H ARG 14 HN ARG 14 -0.992 0.422 4.128
113 HA ARG 14 HA ARG 14 0.484 1.557 1.852
114 HB2 ARG 14 2HB ARG 14 0.268 2.967 3.894
115 HB3 ARG 14 1HB ARG 14 1.074 1.701 4.809
116 HG2 ARG 14 2HG ARG 14 3.037 1.979 3.289
117 HG3 ARG 14 1HG ARG 14 2.214 3.384 2.609
118 HD2 ARG 14 2HD ARG 14 3.078 3.008 5.477
119 HD3 ARG 14 1HD ARG 14 3.805 4.081 4.289
120 HE ARG 14 HE ARG 14 1.024 4.623 4.747
121 HH11 ARG 14 1HH1 ARG 14 4.311 5.329 5.900
122 HH12 ARG 14 2HH1 ARG 14 3.838 6.716 6.768
123 HH21 ARG 14 1HH2 ARG 14 0.399 6.545 5.989
124 HH22 ARG 14 2HH2 ARG 14 1.603 7.396 6.823
125 H LYS 15 HN LYS 15 1.870 0.122 0.975
126 HA LYS 15 HA LYS 15 2.935 -1.966 2.735
127 HB2 LYS 15 2HB LYS 15 2.511 -1.926 -0.239
128 HB3 LYS 15 1HB LYS 15 3.651 -3.032 0.499
129 HG2 LYS 15 2HG LYS 15 0.710 -2.887 1.107
130 HG3 LYS 15 1HG LYS 15 1.480 -4.084 0.063
131 HD2 LYS 15 2HD LYS 15 2.897 -4.740 2.050
132 HD3 LYS 15 1HD LYS 15 1.872 -3.700 3.035
133 HE2 LYS 15 2HE LYS 15 1.099 -5.960 3.237
134 HE3 LYS 15 1HE LYS 15 -0.084 -5.026 2.324
135 HZ1 LYS 15 1HZ LYS 15 0.805 -6.005 0.268
136 HZ2 LYS 15 2HZ LYS 15 0.296 -7.196 1.328
137 HZ3 LYS 15 3HZ LYS 15 1.926 -6.895 1.153
138 H CYS 16 HN CYS 16 4.953 -1.835 3.319
139 HA CYS 16 HA CYS 16 6.723 -0.158 1.689
140 HB2 CYS 16 2HB CYS 16 6.846 -0.769 4.645
141 HB3 CYS 16 1HB CYS 16 8.022 0.186 3.754
142 H ARG 17 HN ARG 17 8.146 -1.271 0.625
143 HA ARG 17 HA ARG 17 8.922 -3.847 1.759
144 HB2 ARG 17 2HB ARG 17 7.567 -3.898 -0.397
145 HB3 ARG 17 1HB ARG 17 8.960 -3.167 -1.182
146 HG2 ARG 17 2HG ARG 17 10.326 -5.068 -0.636
147 HG3 ARG 17 1HG ARG 17 9.011 -5.782 0.296
148 HD2 ARG 17 2HD ARG 17 7.651 -5.780 -1.813
149 HD3 ARG 17 1HD ARG 17 9.126 -5.318 -2.668
150 HE ARG 17 HE ARG 17 9.905 -7.461 -1.297
151 HH11 ARG 17 1HH1 ARG 17 7.207 -6.917 -3.488
152 HH12 ARG 17 2HH1 ARG 17 7.039 -8.547 -3.952
153 HH21 ARG 17 1HH2 ARG 17 9.643 -9.736 -1.863
154 HH22 ARG 17 2HH2 ARG 17 8.463 -10.183 -2.989
155 H GLY 18 HN GLY 18 10.768 -3.442 2.713
156 HA2 GLY 18 2HA GLY 18 13.061 -3.066 2.801
157 HA3 GLY 18 1HA GLY 18 12.986 -2.358 1.183
Start of MODEL 4
1 H1 ARG 1 HN ARG 1 12.633 0.007 1.398
2 HA ARG 1 HA ARG 1 11.536 1.658 3.564
3 HB2 ARG 1 2HB ARG 1 13.135 3.411 3.013
4 HB3 ARG 1 1HB ARG 1 13.962 1.930 3.461
5 HG2 ARG 1 2HG ARG 1 14.414 1.446 1.133
6 HG3 ARG 1 1HG ARG 1 13.530 2.894 0.638
7 HD2 ARG 1 2HD ARG 1 16.000 2.802 2.350
8 HD3 ARG 1 1HD ARG 1 15.941 3.279 0.649
9 HE ARG 1 HE ARG 1 14.199 4.959 1.766
10 HH11 ARG 1 1HH1 ARG 1 17.543 4.140 2.556
11 HH12 ARG 1 2HH1 ARG 1 17.881 5.634 3.304
12 HH21 ARG 1 1HH2 ARG 1 14.644 6.988 2.829
13 HH22 ARG 1 2HH2 ARG 1 16.186 7.272 3.491
14 H TRP 2 HN TRP 2 11.007 0.581 0.552
15 HA TRP 2 HA TRP 2 9.899 3.089 -0.481
16 HB2 TRP 2 2HB TRP 2 11.305 1.574 -1.927
17 HB3 TRP 2 1HB TRP 2 10.042 0.361 -1.761
18 HD1 TRP 2 1HD TRP 2 7.692 0.960 -2.874
19 HE1 TRP 2 1HE TRP 2 7.126 2.378 -5.006
20 HE3 TRP 2 3HE TRP 2 12.002 3.599 -3.211
21 HZ2 TRP 2 2HZ TRP 2 8.389 4.364 -6.558
22 HZ3 TRP 2 3HZ TRP 2 12.271 5.239 -5.028
23 HH2 TRP 2 2HH TRP 2 10.496 5.610 -6.663
24 H CYS 3 HN CYS 3 8.021 3.546 0.333
25 HA CYS 3 HA CYS 3 6.108 1.369 0.769
26 HB2 CYS 3 2HB CYS 3 6.298 4.048 2.150
27 HB3 CYS 3 1HB CYS 3 5.026 2.867 2.405
28 H PHE 4 HN PHE 4 4.383 1.354 -0.406
29 HA PHE 4 HA PHE 4 3.539 3.826 -1.679
30 HB2 PHE 4 2HB PHE 4 2.882 2.513 -3.700
31 HB3 PHE 4 1HB PHE 4 4.615 2.547 -3.423
32 HD1 PHE 4 1HD PHE 4 5.741 0.511 -2.536
33 HD2 PHE 4 2HD PHE 4 1.667 0.493 -3.744
34 HE1 PHE 4 1HE PHE 4 5.804 -1.941 -2.693
35 HE2 PHE 4 2HE PHE 4 1.721 -1.953 -3.892
36 HZ PHE 4 HZ PHE 4 3.783 -3.176 -3.368
37 H ARG 5 HN ARG 5 1.264 3.757 -2.386
38 HA ARG 5 HA ARG 5 -0.320 2.534 -0.247
39 HB2 ARG 5 2HB ARG 5 -0.295 4.967 -0.351
40 HB3 ARG 5 1HB ARG 5 -0.802 4.910 -2.018
41 HG2 ARG 5 2HG ARG 5 -2.934 3.910 -1.364
42 HG3 ARG 5 1HG ARG 5 -2.438 3.979 0.330
43 HD2 ARG 5 2HD ARG 5 -3.895 5.865 -0.323
44 HD3 ARG 5 1HD ARG 5 -2.304 6.387 0.236
45 HE ARG 5 HE ARG 5 -2.499 6.044 -2.611
46 HH11 ARG 5 1HH1 ARG 5 -3.036 8.318 0.025
47 HH12 ARG 5 2HH1 ARG 5 -2.772 9.701 -0.945
48 HH21 ARG 5 1HH2 ARG 5 -2.134 7.924 -3.918
49 HH22 ARG 5 2HH2 ARG 5 -2.239 9.475 -3.229
50 H VAL 6 HN VAL 6 -1.798 1.059 -0.789
51 HA VAL 6 HA VAL 6 -2.679 0.924 -3.593
52 HB VAL 6 HB VAL 6 -2.548 -1.404 -1.644
53 HG11 VAL 6 1HG1 VAL 6 -2.988 -2.781 -3.611
54 HG12 VAL 6 2HG1 VAL 6 -3.115 -1.330 -4.603
55 HG13 VAL 6 3HG1 VAL 6 -4.290 -1.630 -3.319
56 HG21 VAL 6 1HG2 VAL 6 -0.687 -2.263 -2.983
57 HG22 VAL 6 2HG2 VAL 6 -0.286 -0.712 -2.245
58 HG23 VAL 6 3HG2 VAL 6 -0.708 -0.792 -3.956
59 H CYS 7 HN CYS 7 -4.881 1.033 -3.869
60 HA CYS 7 HA CYS 7 -6.506 1.002 -1.429
61 HB2 CYS 7 2HB CYS 7 -6.776 2.860 -3.794
62 HB3 CYS 7 1HB CYS 7 -7.836 2.794 -2.395
63 H TYR 8 HN TYR 8 -8.358 -0.147 -1.541
64 HA TYR 8 HA TYR 8 -9.543 -0.621 -4.122
65 HB2 TYR 8 2HB TYR 8 -9.670 -3.005 -3.979
66 HB3 TYR 8 1HB TYR 8 -8.011 -2.577 -3.608
67 HD1 TYR 8 1HD TYR 8 -7.471 -2.389 -1.033
68 HD2 TYR 8 2HD TYR 8 -10.770 -4.496 -2.657
69 HE1 TYR 8 1HE TYR 8 -7.590 -3.774 1.011
70 HE2 TYR 8 2HE TYR 8 -10.917 -5.872 -0.638
71 HH TYR 8 HH TYR 8 -9.365 -6.612 1.168
72 H ARG 9 HN ARG 9 -11.614 -0.260 -4.004
73 HA ARG 9 HA ARG 9 -13.732 0.092 -3.276
74 HB2 ARG 9 2HB ARG 9 -13.592 -2.307 -2.645
75 HB3 ARG 9 1HB ARG 9 -12.989 -1.857 -1.068
76 HG2 ARG 9 2HG ARG 9 -15.331 -2.530 -0.952
77 HG3 ARG 9 1HG ARG 9 -15.157 -0.830 -0.534
78 HD2 ARG 9 2HD ARG 9 -15.957 -1.812 -3.274
79 HD3 ARG 9 1HD ARG 9 -17.118 -1.379 -2.022
80 HE ARG 9 HE ARG 9 -15.631 0.823 -2.171
81 HH11 ARG 9 1HH1 ARG 9 -17.214 -1.086 -4.692
82 HH12 ARG 9 2HH1 ARG 9 -17.437 0.199 -5.763
83 HH21 ARG 9 1HH2 ARG 9 -15.891 2.648 -3.687
84 HH22 ARG 9 2HH2 ARG 9 -16.642 2.382 -5.182
85 H GLY 10 HN GLY 10 -11.296 1.504 -1.991
86 HA2 GLY 10 2HA GLY 10 -11.640 3.654 -0.913
87 HA3 GLY 10 1HA GLY 10 -12.873 2.885 0.071
88 H ILE 11 HN ILE 11 -10.748 0.534 0.049
89 HA ILE 11 HA ILE 11 -9.551 1.421 2.541
90 HB ILE 11 HB ILE 11 -9.670 -1.307 1.226
91 HG12 ILE 11 2HG1 ILE 11 -11.793 -0.554 2.162
92 HG13 ILE 11 1HG1 ILE 11 -11.149 -1.892 3.104
93 HG21 ILE 11 1HG2 ILE 11 -8.682 -2.217 3.279
94 HG22 ILE 11 2HG2 ILE 11 -8.461 -0.579 3.894
95 HG23 ILE 11 3HG2 ILE 11 -7.578 -1.110 2.463
96 HD11 ILE 11 1HD1 ILE 11 -11.074 1.030 3.845
97 HD12 ILE 11 2HD1 ILE 11 -10.339 -0.267 4.775
98 HD13 ILE 11 3HD1 ILE 11 -12.093 -0.217 4.570
99 H CYS 12 HN CYS 12 -7.717 2.393 2.466
100 HA CYS 12 HA CYS 12 -5.805 1.653 0.392
101 HB2 CYS 12 2HB CYS 12 -6.108 4.137 2.051
102 HB3 CYS 12 1HB CYS 12 -4.773 3.863 0.926
103 H TYR 13 HN TYR 13 -4.145 0.515 1.004
104 HA TYR 13 HA TYR 13 -3.282 0.734 3.776
105 HB2 TYR 13 2HB TYR 13 -2.552 -1.675 3.646
106 HB3 TYR 13 1HB TYR 13 -4.288 -1.433 3.620
107 HD1 TYR 13 1HD TYR 13 -1.374 -2.551 1.721
108 HD2 TYR 13 2HD TYR 13 -5.577 -1.941 1.594
109 HE1 TYR 13 1HE TYR 13 -1.514 -3.951 -0.286
110 HE2 TYR 13 2HE TYR 13 -5.723 -3.349 -0.409
111 HH TYR 13 HH TYR 13 -3.210 -5.329 -1.413
112 H ARG 14 HN ARG 14 -0.997 0.172 4.123
113 HA ARG 14 HA ARG 14 0.544 1.506 2.018
114 HB2 ARG 14 2HB ARG 14 0.303 2.448 4.388
115 HB3 ARG 14 1HB ARG 14 1.281 1.093 4.912
116 HG2 ARG 14 2HG ARG 14 2.670 3.036 4.710
117 HG3 ARG 14 1HG ARG 14 3.103 1.900 3.429
118 HD2 ARG 14 2HD ARG 14 1.914 3.166 1.795
119 HD3 ARG 14 1HD ARG 14 1.165 4.160 3.045
120 HE ARG 14 HE ARG 14 3.824 4.572 3.368
121 HH11 ARG 14 1HH1 ARG 14 1.585 4.979 0.696
122 HH12 ARG 14 2HH1 ARG 14 2.422 6.282 -0.021
123 HH21 ARG 14 1HH2 ARG 14 4.971 6.365 2.430
124 HH22 ARG 14 2HH2 ARG 14 4.425 7.085 0.989
125 H LYS 15 HN LYS 15 1.774 0.164 0.860
126 HA LYS 15 HA LYS 15 2.701 -2.329 2.090
127 HB2 LYS 15 2HB LYS 15 2.436 -1.520 -0.810
128 HB3 LYS 15 1HB LYS 15 3.216 -3.002 -0.289
129 HG2 LYS 15 2HG LYS 15 0.339 -2.276 0.219
130 HG3 LYS 15 1HG LYS 15 0.908 -3.324 -1.076
131 HD2 LYS 15 2HD LYS 15 1.293 -3.845 1.881
132 HD3 LYS 15 1HD LYS 15 0.045 -4.583 0.889
133 HE2 LYS 15 2HE LYS 15 1.814 -5.586 -0.530
134 HE3 LYS 15 1HE LYS 15 3.025 -4.885 0.540
135 HZ1 LYS 15 1HZ LYS 15 0.962 -6.852 1.327
136 HZ2 LYS 15 2HZ LYS 15 2.147 -6.230 2.356
137 HZ3 LYS 15 3HZ LYS 15 2.573 -7.208 1.050
138 H CYS 16 HN CYS 16 4.714 -2.348 2.751
139 HA CYS 16 HA CYS 16 6.550 -0.433 1.535
140 HB2 CYS 16 2HB CYS 16 6.500 -1.557 4.330
141 HB3 CYS 16 1HB CYS 16 7.811 -0.578 3.678
142 H ARG 17 HN ARG 17 8.175 -1.169 0.494
143 HA ARG 17 HA ARG 17 9.112 -3.906 1.019
144 HB2 ARG 17 2HB ARG 17 9.467 -2.225 -1.483
145 HB3 ARG 17 1HB ARG 17 10.068 -3.857 -1.249
146 HG2 ARG 17 2HG ARG 17 7.765 -4.670 -1.121
147 HG3 ARG 17 1HG ARG 17 7.183 -3.026 -1.386
148 HD2 ARG 17 2HD ARG 17 8.862 -4.669 -3.280
149 HD3 ARG 17 1HD ARG 17 7.157 -4.272 -3.461
150 HE ARG 17 HE ARG 17 9.231 -2.181 -3.420
151 HH11 ARG 17 1HH1 ARG 17 6.475 -3.708 -5.061
152 HH12 ARG 17 2HH1 ARG 17 6.407 -2.549 -6.295
153 HH21 ARG 17 1HH2 ARG 17 9.140 -0.640 -5.092
154 HH22 ARG 17 2HH2 ARG 17 7.961 -0.746 -6.323
155 H GLY 18 HN GLY 18 10.543 -3.393 2.604
156 HA2 GLY 18 2HA GLY 18 12.579 -2.726 3.443
157 HA3 GLY 18 1HA GLY 18 12.979 -2.090 1.846
Start of MODEL 5
1 H1 ARG 1 HN ARG 1 13.022 0.086 0.545
2 HA ARG 1 HA ARG 1 12.090 1.974 2.599
3 HB2 ARG 1 2HB ARG 1 13.502 3.681 1.571
4 HB3 ARG 1 1HB ARG 1 14.458 2.283 2.022
5 HG2 ARG 1 2HG ARG 1 14.487 1.559 -0.319
6 HG3 ARG 1 1HG ARG 1 13.535 2.980 -0.763
7 HD2 ARG 1 2HD ARG 1 15.909 3.362 -1.190
8 HD3 ARG 1 1HD ARG 1 15.323 4.435 0.082
9 HE ARG 1 HE ARG 1 16.353 2.074 1.211
10 HH11 ARG 1 1HH1 ARG 1 17.480 5.110 -0.228
11 HH12 ARG 1 2HH1 ARG 1 18.985 5.057 0.557
12 HH21 ARG 1 1HH2 ARG 1 18.417 2.006 2.230
13 HH22 ARG 1 2HH2 ARG 1 19.532 3.261 1.971
14 H TRP 2 HN TRP 2 10.801 0.424 0.279
15 HA TRP 2 HA TRP 2 9.583 2.733 -1.076
16 HB2 TRP 2 2HB TRP 2 10.689 0.958 -2.482
17 HB3 TRP 2 1HB TRP 2 9.483 -0.169 -1.875
18 HD1 TRP 2 1HD TRP 2 6.898 0.409 -2.569
19 HE1 TRP 2 1HE TRP 2 5.975 1.480 -4.759
20 HE3 TRP 2 3HE TRP 2 11.166 2.548 -4.258
21 HZ2 TRP 2 2HZ TRP 2 6.979 3.007 -6.903
22 HZ3 TRP 2 3HZ TRP 2 11.128 3.798 -6.384
23 HH2 TRP 2 2HH TRP 2 9.068 4.015 -7.671
24 H CYS 3 HN CYS 3 7.948 3.358 0.128
25 HA CYS 3 HA CYS 3 6.028 1.312 0.958
26 HB2 CYS 3 2HB CYS 3 6.429 4.136 1.976
27 HB3 CYS 3 1HB CYS 3 5.130 3.056 2.477
28 H PHE 4 HN PHE 4 4.047 1.334 0.114
29 HA PHE 4 HA PHE 4 3.250 3.612 -1.490
30 HB2 PHE 4 2HB PHE 4 2.663 2.189 -3.420
31 HB3 PHE 4 1HB PHE 4 4.384 2.133 -3.082
32 HD1 PHE 4 1HD PHE 4 1.563 0.234 -3.873
33 HD2 PHE 4 2HD PHE 4 5.105 0.086 -1.524
34 HE1 PHE 4 1HE PHE 4 1.450 -2.222 -3.856
35 HE2 PHE 4 2HE PHE 4 4.992 -2.365 -1.505
36 HZ PHE 4 HZ PHE 4 3.166 -3.523 -2.672
37 H ARG 5 HN ARG 5 1.039 3.810 -1.742
38 HA ARG 5 HA ARG 5 -0.476 2.276 0.240
39 HB2 ARG 5 2HB ARG 5 -0.317 4.781 0.456
40 HB3 ARG 5 1HB ARG 5 -1.219 4.901 -1.046
41 HG2 ARG 5 2HG ARG 5 -3.104 3.748 -0.015
42 HG3 ARG 5 1HG ARG 5 -2.202 3.618 1.493
43 HD2 ARG 5 2HD ARG 5 -3.645 5.490 1.743
44 HD3 ARG 5 1HD ARG 5 -2.030 6.128 1.474
45 HE ARG 5 HE ARG 5 -3.601 5.876 -0.922
46 HH11 ARG 5 1HH1 ARG 5 -2.639 8.038 1.711
47 HH12 ARG 5 2HH1 ARG 5 -3.281 9.441 0.998
48 HH21 ARG 5 1HH2 ARG 5 -4.470 7.818 -1.917
49 HH22 ARG 5 2HH2 ARG 5 -4.352 9.306 -1.101
50 H VAL 6 HN VAL 6 -1.711 0.749 -0.517
51 HA VAL 6 HA VAL 6 -2.672 0.830 -3.280
52 HB VAL 6 HB VAL 6 -2.844 -1.426 -1.256
53 HG11 VAL 6 1HG1 VAL 6 -3.238 -1.441 -4.245
54 HG12 VAL 6 2HG1 VAL 6 -4.498 -1.599 -3.023
55 HG13 VAL 6 3HG1 VAL 6 -3.275 -2.860 -3.198
56 HG21 VAL 6 1HG2 VAL 6 -0.507 -0.943 -1.716
57 HG22 VAL 6 2HG2 VAL 6 -0.815 -1.035 -3.450
58 HG23 VAL 6 3HG2 VAL 6 -0.975 -2.478 -2.448
59 H CYS 7 HN CYS 7 -4.779 1.291 -3.613
60 HA CYS 7 HA CYS 7 -6.561 1.141 -1.287
61 HB2 CYS 7 2HB CYS 7 -6.629 3.207 -3.494
62 HB3 CYS 7 1HB CYS 7 -7.782 3.083 -2.173
63 H TYR 8 HN TYR 8 -7.964 -0.402 -1.536
64 HA TYR 8 HA TYR 8 -9.022 -0.736 -4.223
65 HB2 TYR 8 2HB TYR 8 -9.220 -3.100 -3.968
66 HB3 TYR 8 1HB TYR 8 -7.619 -2.667 -3.395
67 HD1 TYR 8 1HD TYR 8 -7.306 -2.501 -0.842
68 HD2 TYR 8 2HD TYR 8 -10.636 -4.370 -2.673
69 HE1 TYR 8 1HE TYR 8 -7.728 -3.765 1.234
70 HE2 TYR 8 2HE TYR 8 -11.094 -5.631 -0.623
71 HH TYR 8 HH TYR 8 -9.770 -6.425 1.342
72 H ARG 9 HN ARG 9 -10.980 -0.029 -4.387
73 HA ARG 9 HA ARG 9 -13.168 0.425 -4.019
74 HB2 ARG 9 2HB ARG 9 -12.966 -1.650 -1.828
75 HB3 ARG 9 1HB ARG 9 -14.453 -1.084 -2.579
76 HG2 ARG 9 2HG ARG 9 -13.811 -2.029 -4.689
77 HG3 ARG 9 1HG ARG 9 -12.227 -2.459 -4.050
78 HD2 ARG 9 2HD ARG 9 -13.439 -3.891 -2.375
79 HD3 ARG 9 1HD ARG 9 -14.898 -3.617 -3.334
80 HE ARG 9 HE ARG 9 -13.037 -4.402 -5.126
81 HH11 ARG 9 1HH1 ARG 9 -14.493 -5.827 -2.260
82 HH12 ARG 9 2HH1 ARG 9 -14.118 -7.438 -2.682
83 HH21 ARG 9 1HH2 ARG 9 -12.488 -6.615 -5.716
84 HH22 ARG 9 2HH2 ARG 9 -12.944 -7.894 -4.686
85 H GLY 10 HN GLY 10 -10.965 1.698 -2.468
86 HA2 GLY 10 2HA GLY 10 -11.257 3.738 -1.298
87 HA3 GLY 10 1HA GLY 10 -12.671 3.048 -0.521
88 H ILE 11 HN ILE 11 -10.723 0.543 -0.324
89 HA ILE 11 HA ILE 11 -9.829 1.285 2.339
90 HB ILE 11 HB ILE 11 -9.789 -1.422 0.966
91 HG12 ILE 11 2HG1 ILE 11 -12.066 -0.669 1.386
92 HG13 ILE 11 1HG1 ILE 11 -11.651 -1.969 2.499
93 HG21 ILE 11 1HG2 ILE 11 -9.216 -0.705 3.850
94 HG22 ILE 11 2HG2 ILE 11 -8.035 -1.263 2.666
95 HG23 ILE 11 3HG2 ILE 11 -9.321 -2.343 3.203
96 HD11 ILE 11 1HD1 ILE 11 -11.261 -0.313 4.265
97 HD12 ILE 11 2HD1 ILE 11 -12.905 -0.227 3.630
98 HD13 ILE 11 3HD1 ILE 11 -11.708 0.977 3.150
99 H CYS 12 HN CYS 12 -8.069 2.313 2.412
100 HA CYS 12 HA CYS 12 -5.905 1.721 0.568
101 HB2 CYS 12 2HB CYS 12 -6.451 3.989 2.442
102 HB3 CYS 12 1HB CYS 12 -4.976 3.847 1.478
103 H TYR 13 HN TYR 13 -4.222 0.621 1.220
104 HA TYR 13 HA TYR 13 -3.411 0.835 3.996
105 HB2 TYR 13 2HB TYR 13 -2.885 -1.579 4.098
106 HB3 TYR 13 1HB TYR 13 -4.602 -1.312 3.861
107 HD1 TYR 13 1HD TYR 13 -1.521 -2.618 2.416
108 HD2 TYR 13 2HD TYR 13 -5.667 -1.940 1.720
109 HE1 TYR 13 1HE TYR 13 -1.446 -4.169 0.533
110 HE2 TYR 13 2HE TYR 13 -5.600 -3.513 -0.166
111 HH TYR 13 HH TYR 13 -3.104 -5.643 -0.616
112 H ARG 14 HN ARG 14 -1.175 0.713 4.256
113 HA ARG 14 HA ARG 14 0.223 1.107 1.721
114 HB2 ARG 14 2HB ARG 14 0.150 3.063 3.178
115 HB3 ARG 14 1HB ARG 14 0.908 2.143 4.466
116 HG2 ARG 14 2HG ARG 14 2.908 1.884 3.086
117 HG3 ARG 14 1HG ARG 14 2.138 2.824 1.808
118 HD2 ARG 14 2HD ARG 14 3.604 4.246 3.053
119 HD3 ARG 14 1HD ARG 14 1.938 4.714 3.386
120 HE ARG 14 HE ARG 14 2.434 3.069 5.411
121 HH11 ARG 14 1HH1 ARG 14 4.422 5.685 4.072
122 HH12 ARG 14 2HH1 ARG 14 5.100 6.115 5.582
123 HH21 ARG 14 1HH2 ARG 14 3.385 3.685 7.498
124 HH22 ARG 14 2HH2 ARG 14 4.480 4.975 7.552
125 H LYS 15 HN LYS 15 1.736 -0.191 1.143
126 HA LYS 15 HA LYS 15 2.752 -2.190 3.038
127 HB2 LYS 15 2HB LYS 15 2.599 -2.142 0.020
128 HB3 LYS 15 1HB LYS 15 3.538 -3.334 0.905
129 HG2 LYS 15 2HG LYS 15 0.572 -2.923 1.159
130 HG3 LYS 15 1HG LYS 15 1.343 -4.132 0.131
131 HD2 LYS 15 2HD LYS 15 2.434 -5.076 2.158
132 HD3 LYS 15 1HD LYS 15 1.514 -3.932 3.137
133 HE2 LYS 15 2HE LYS 15 -0.563 -4.878 2.297
134 HE3 LYS 15 1HE LYS 15 0.345 -6.023 1.311
135 HZ1 LYS 15 1HZ LYS 15 -0.451 -6.985 3.412
136 HZ2 LYS 15 2HZ LYS 15 0.470 -5.864 4.268
137 HZ3 LYS 15 3HZ LYS 15 1.231 -7.007 3.309
138 H CYS 16 HN CYS 16 4.988 -2.457 3.224
139 HA CYS 16 HA CYS 16 6.619 -0.445 1.879
140 HB2 CYS 16 2HB CYS 16 6.714 -1.219 4.797
141 HB3 CYS 16 1HB CYS 16 7.993 -0.322 3.986
142 H ARG 17 HN ARG 17 8.078 -1.336 0.720
143 HA ARG 17 HA ARG 17 9.204 -3.912 1.555
144 HB2 ARG 17 2HB ARG 17 7.815 -4.045 -0.535
145 HB3 ARG 17 1HB ARG 17 8.901 -2.882 -1.281
146 HG2 ARG 17 2HG ARG 17 10.759 -4.442 -0.999
147 HG3 ARG 17 1HG ARG 17 9.658 -5.615 -0.279
148 HD2 ARG 17 2HD ARG 17 10.033 -6.180 -2.573
149 HD3 ARG 17 1HD ARG 17 8.369 -5.627 -2.392
150 HE ARG 17 HE ARG 17 9.442 -3.393 -3.175
151 HH11 ARG 17 1HH1 ARG 17 10.256 -6.618 -4.393
152 HH12 ARG 17 2HH1 ARG 17 10.668 -6.093 -5.950
153 HH21 ARG 17 1HH2 ARG 17 10.011 -2.662 -5.299
154 HH22 ARG 17 2HH2 ARG 17 10.557 -3.780 -6.476
155 H GLY 18 HN GLY 18 10.937 -3.148 2.596
156 HA2 GLY 18 2HA GLY 18 13.098 -2.370 2.791
157 HA3 GLY 18 1HA GLY 18 13.069 -1.979 1.071
Start of MODEL 6
1 H1 ARG 1 HN ARG 1 12.356 -0.558 0.207
2 HA ARG 1 HA ARG 1 12.538 1.145 2.634
3 HB2 ARG 1 2HB ARG 1 13.953 2.673 1.395
4 HB3 ARG 1 1HB ARG 1 14.668 1.069 1.284
5 HG2 ARG 1 2HG ARG 1 13.624 0.781 -0.922
6 HG3 ARG 1 1HG ARG 1 12.987 2.414 -0.816
7 HD2 ARG 1 2HD ARG 1 15.334 3.220 -0.648
8 HD3 ARG 1 1HD ARG 1 15.868 1.562 -0.960
9 HE ARG 1 HE ARG 1 14.065 2.942 -2.805
10 HH11 ARG 1 1HH1 ARG 1 17.173 1.233 -2.288
11 HH12 ARG 1 2HH1 ARG 1 17.572 1.258 -3.927
12 HH21 ARG 1 1HH2 ARG 1 14.669 2.892 -5.080
13 HH22 ARG 1 2HH2 ARG 1 16.157 2.221 -5.530
14 H TRP 2 HN TRP 2 10.626 0.129 0.184
15 HA TRP 2 HA TRP 2 9.686 2.759 -0.651
16 HB2 TRP 2 2HB TRP 2 10.558 1.324 -2.397
17 HB3 TRP 2 1HB TRP 2 9.453 0.047 -1.933
18 HD1 TRP 2 1HD TRP 2 8.320 3.707 -2.412
19 HE1 TRP 2 1HE TRP 2 6.694 3.780 -4.414
20 HE3 TRP 2 3HE TRP 2 8.791 -1.114 -4.011
21 HZ2 TRP 2 2HZ TRP 2 5.757 2.016 -6.418
22 HZ3 TRP 2 3HZ TRP 2 7.509 -1.837 -5.980
23 HH2 TRP 2 2HH TRP 2 6.024 -0.289 -7.154
24 H CYS 3 HN CYS 3 8.009 3.431 0.376
25 HA CYS 3 HA CYS 3 5.901 1.557 1.170
26 HB2 CYS 3 2HB CYS 3 6.535 4.336 2.181
27 HB3 CYS 3 1HB CYS 3 5.164 3.362 2.694
28 H PHE 4 HN PHE 4 4.216 1.570 -0.065
29 HA PHE 4 HA PHE 4 3.407 4.061 -1.335
30 HB2 PHE 4 2HB PHE 4 2.662 2.694 -3.322
31 HB3 PHE 4 1HB PHE 4 4.405 2.793 -3.118
32 HD1 PHE 4 1HD PHE 4 5.687 0.838 -2.496
33 HD2 PHE 4 2HD PHE 4 1.482 0.596 -3.023
34 HE1 PHE 4 1HE PHE 4 5.846 -1.597 -2.591
35 HE2 PHE 4 2HE PHE 4 1.637 -1.858 -3.111
36 HZ PHE 4 HZ PHE 4 3.822 -2.959 -2.893
37 H ARG 5 HN ARG 5 1.114 4.124 -1.805
38 HA ARG 5 HA ARG 5 -0.373 2.538 0.154
39 HB2 ARG 5 2HB ARG 5 -0.340 4.964 0.565
40 HB3 ARG 5 1HB ARG 5 -1.001 5.244 -1.038
41 HG2 ARG 5 2HG ARG 5 -3.039 4.036 -0.388
42 HG3 ARG 5 1HG ARG 5 -2.376 3.818 1.232
43 HD2 ARG 5 2HD ARG 5 -3.910 5.702 1.190
44 HD3 ARG 5 1HD ARG 5 -2.270 6.257 1.503
45 HE ARG 5 HE ARG 5 -2.562 6.473 -1.197
46 HH11 ARG 5 1HH1 ARG 5 -4.387 7.771 1.555
47 HH12 ARG 5 2HH1 ARG 5 -4.882 9.174 0.737
48 HH21 ARG 5 1HH2 ARG 5 -3.210 8.359 -2.287
49 HH22 ARG 5 2HH2 ARG 5 -4.201 9.521 -1.517
50 H VAL 6 HN VAL 6 -1.674 1.080 -0.676
51 HA VAL 6 HA VAL 6 -2.556 1.397 -3.464
52 HB VAL 6 HB VAL 6 -2.621 -1.108 -1.741
53 HG11 VAL 6 1HG1 VAL 6 -3.100 -2.300 -3.829
54 HG12 VAL 6 2HG1 VAL 6 -3.145 -0.765 -4.692
55 HG13 VAL 6 3HG1 VAL 6 -4.352 -1.114 -3.453
56 HG21 VAL 6 1HG2 VAL 6 -0.720 -0.370 -3.959
57 HG22 VAL 6 2HG2 VAL 6 -0.796 -1.936 -3.151
58 HG23 VAL 6 3HG2 VAL 6 -0.330 -0.498 -2.244
59 H CYS 7 HN CYS 7 -4.678 1.695 -3.841
60 HA CYS 7 HA CYS 7 -6.485 1.415 -1.551
61 HB2 CYS 7 2HB CYS 7 -6.578 3.496 -3.742
62 HB3 CYS 7 1HB CYS 7 -7.814 3.246 -2.511
63 H TYR 8 HN TYR 8 -7.852 -0.155 -1.832
64 HA TYR 8 HA TYR 8 -9.004 -0.471 -4.481
65 HB2 TYR 8 2HB TYR 8 -8.770 -2.870 -4.473
66 HB3 TYR 8 1HB TYR 8 -7.192 -2.201 -4.076
67 HD1 TYR 8 1HD TYR 8 -6.575 -2.115 -1.565
68 HD2 TYR 8 2HD TYR 8 -9.720 -4.494 -3.116
69 HE1 TYR 8 1HE TYR 8 -6.501 -3.529 0.456
70 HE2 TYR 8 2HE TYR 8 -9.664 -5.908 -1.116
71 HH TYR 8 HH TYR 8 -8.049 -6.514 0.659
72 H ARG 9 HN ARG 9 -11.158 -0.427 -4.353
73 HA ARG 9 HA ARG 9 -13.310 -0.677 -3.609
74 HB2 ARG 9 2HB ARG 9 -12.584 -2.989 -3.288
75 HB3 ARG 9 1HB ARG 9 -11.934 -2.594 -1.718
76 HG2 ARG 9 2HG ARG 9 -14.181 -2.248 -0.874
77 HG3 ARG 9 1HG ARG 9 -14.853 -2.624 -2.470
78 HD2 ARG 9 2HD ARG 9 -13.867 -4.805 -2.406
79 HD3 ARG 9 1HD ARG 9 -13.074 -4.450 -0.879
80 HE ARG 9 HE ARG 9 -15.712 -4.113 -0.354
81 HH11 ARG 9 1HH1 ARG 9 -13.840 -6.734 -1.826
82 HH12 ARG 9 2HH1 ARG 9 -14.734 -7.979 -1.094
83 HH21 ARG 9 1HH2 ARG 9 -16.976 -5.830 0.633
84 HH22 ARG 9 2HH2 ARG 9 -16.581 -7.456 0.338
85 H GLY 10 HN GLY 10 -11.236 1.152 -2.221
86 HA2 GLY 10 2HA GLY 10 -11.857 3.036 -0.875
87 HA3 GLY 10 1HA GLY 10 -13.039 2.013 -0.069
88 H ILE 11 HN ILE 11 -10.378 0.152 -0.324
89 HA ILE 11 HA ILE 11 -9.533 0.893 2.370
90 HB ILE 11 HB ILE 11 -9.140 -1.725 0.875
91 HG12 ILE 11 2HG1 ILE 11 -11.458 -1.416 1.581
92 HG13 ILE 11 1HG1 ILE 11 -10.693 -2.653 2.570
93 HG21 ILE 11 1HG2 ILE 11 -8.256 -2.616 2.990
94 HG22 ILE 11 2HG2 ILE 11 -8.371 -1.011 3.709
95 HG23 ILE 11 3HG2 ILE 11 -7.260 -1.298 2.370
96 HD11 ILE 11 1HD1 ILE 11 -11.192 0.212 3.374
97 HD12 ILE 11 2HD1 ILE 11 -10.388 -0.998 4.363
98 HD13 ILE 11 3HD1 ILE 11 -12.090 -1.204 3.931
99 H CYS 12 HN CYS 12 -7.898 2.140 2.398
100 HA CYS 12 HA CYS 12 -5.794 1.860 0.402
101 HB2 CYS 12 2HB CYS 12 -6.556 4.077 2.273
102 HB3 CYS 12 1HB CYS 12 -5.108 4.089 1.251
103 H TYR 13 HN TYR 13 -4.066 0.820 1.046
104 HA TYR 13 HA TYR 13 -3.366 0.972 3.881
105 HB2 TYR 13 2HB TYR 13 -2.492 -1.337 3.786
106 HB3 TYR 13 1HB TYR 13 -4.221 -1.269 3.493
107 HD1 TYR 13 1HD TYR 13 -0.937 -2.223 2.102
108 HD2 TYR 13 2HD TYR 13 -5.085 -1.672 1.195
109 HE1 TYR 13 1HE TYR 13 -0.676 -3.524 0.081
110 HE2 TYR 13 2HE TYR 13 -4.798 -2.993 -0.830
111 HH TYR 13 HH TYR 13 -2.000 -4.848 -1.391
112 H ARG 14 HN ARG 14 -1.263 1.161 4.395
113 HA ARG 14 HA ARG 14 0.467 2.013 2.236
114 HB2 ARG 14 2HB ARG 14 0.368 3.501 4.123
115 HB3 ARG 14 1HB ARG 14 0.682 2.179 5.238
116 HG2 ARG 14 2HG ARG 14 2.925 1.924 4.316
117 HG3 ARG 14 1HG ARG 14 2.614 3.246 3.192
118 HD2 ARG 14 2HD ARG 14 2.368 4.790 4.981
119 HD3 ARG 14 1HD ARG 14 2.411 3.463 6.153
120 HE ARG 14 HE ARG 14 4.731 3.084 5.296
121 HH11 ARG 14 1HH1 ARG 14 3.336 6.348 5.251
122 HH12 ARG 14 2HH1 ARG 14 4.806 7.139 5.532
123 HH21 ARG 14 1HH2 ARG 14 6.751 4.167 5.688
124 HH22 ARG 14 2HH2 ARG 14 6.824 5.860 5.782
125 H LYS 15 HN LYS 15 1.741 0.634 1.408
126 HA LYS 15 HA LYS 15 2.474 -1.737 2.952
127 HB2 LYS 15 2HB LYS 15 1.026 -2.096 0.931
128 HB3 LYS 15 1HB LYS 15 2.337 -1.469 -0.048
129 HG2 LYS 15 2HG LYS 15 2.288 -3.889 -0.091
130 HG3 LYS 15 1HG LYS 15 3.770 -3.297 0.656
131 HD2 LYS 15 2HD LYS 15 2.787 -5.231 1.847
132 HD3 LYS 15 1HD LYS 15 2.874 -3.808 2.893
133 HE2 LYS 15 2HE LYS 15 0.505 -3.454 2.503
134 HE3 LYS 15 1HE LYS 15 0.461 -4.829 1.394
135 HZ1 LYS 15 1HZ LYS 15 -0.368 -5.434 3.544
136 HZ2 LYS 15 2HZ LYS 15 1.011 -4.919 4.323
137 HZ3 LYS 15 3HZ LYS 15 1.073 -6.253 3.290
138 H CYS 16 HN CYS 16 4.529 -1.795 3.519
139 HA CYS 16 HA CYS 16 6.458 -0.234 1.975
140 HB2 CYS 16 2HB CYS 16 6.515 -1.061 4.880
141 HB3 CYS 16 1HB CYS 16 7.811 -0.215 4.045
142 H ARG 17 HN ARG 17 7.770 -1.332 0.799
143 HA ARG 17 HA ARG 17 8.709 -3.933 1.753
144 HB2 ARG 17 2HB ARG 17 8.898 -4.655 -0.643
145 HB3 ARG 17 1HB ARG 17 7.244 -4.444 -0.103
146 HG2 ARG 17 2HG ARG 17 7.058 -2.375 -1.262
147 HG3 ARG 17 1HG ARG 17 8.776 -2.371 -1.651
148 HD2 ARG 17 2HD ARG 17 7.468 -3.040 -3.589
149 HD3 ARG 17 1HD ARG 17 8.482 -4.362 -3.033
150 HE ARG 17 HE ARG 17 5.896 -4.568 -1.899
151 HH11 ARG 17 1HH1 ARG 17 7.637 -5.061 -4.934
152 HH12 ARG 17 2HH1 ARG 17 6.539 -6.198 -5.558
153 HH21 ARG 17 1HH2 ARG 17 4.370 -6.101 -2.767
154 HH22 ARG 17 2HH2 ARG 17 4.639 -6.806 -4.303
155 H GLY 18 HN GLY 18 10.766 -3.853 2.168
156 HA2 GLY 18 2HA GLY 18 13.003 -3.373 1.990
157 HA3 GLY 18 1HA GLY 18 12.682 -2.676 0.406
Start of MODEL 7
1 H1 ARG 1 HN ARG 1 12.821 0.039 1.167
2 HA ARG 1 HA ARG 1 11.362 1.178 3.421
3 HB2 ARG 1 2HB ARG 1 12.729 3.177 3.105
4 HB3 ARG 1 1HB ARG 1 13.724 1.745 3.306
5 HG2 ARG 1 2HG ARG 1 14.130 1.683 0.897
6 HG3 ARG 1 1HG ARG 1 13.107 3.108 0.691
7 HD2 ARG 1 2HD ARG 1 14.597 4.408 2.090
8 HD3 ARG 1 1HD ARG 1 15.605 2.991 2.367
9 HE ARG 1 HE ARG 1 15.328 3.559 -0.391
10 HH11 ARG 1 1HH1 ARG 1 16.967 4.690 2.533
11 HH12 ARG 1 2HH1 ARG 1 18.333 5.297 1.705
12 HH21 ARG 1 1HH2 ARG 1 17.253 4.449 -1.520
13 HH22 ARG 1 2HH2 ARG 1 18.495 5.156 -0.588
14 H TRP 2 HN TRP 2 11.054 0.778 0.124
15 HA TRP 2 HA TRP 2 9.628 3.230 -0.462
16 HB2 TRP 2 2HB TRP 2 10.891 1.904 -2.188
17 HB3 TRP 2 1HB TRP 2 9.670 0.649 -2.021
18 HD1 TRP 2 1HD TRP 2 7.203 1.285 -2.794
19 HE1 TRP 2 1HE TRP 2 6.350 2.909 -4.658
20 HE3 TRP 2 3HE TRP 2 11.385 4.087 -3.338
21 HZ2 TRP 2 2HZ TRP 2 7.368 5.084 -6.113
22 HZ3 TRP 2 3HZ TRP 2 11.382 5.930 -4.977
23 HH2 TRP 2 2HH TRP 2 9.415 6.410 -6.330
24 H CYS 3 HN CYS 3 7.767 3.635 0.361
25 HA CYS 3 HA CYS 3 5.984 1.389 0.939
26 HB2 CYS 3 2HB CYS 3 6.055 4.128 2.173
27 HB3 CYS 3 1HB CYS 3 4.980 2.809 2.626
28 H PHE 4 HN PHE 4 4.319 1.195 -0.248
29 HA PHE 4 HA PHE 4 3.360 3.494 -1.761
30 HB2 PHE 4 2HB PHE 4 2.493 1.740 -3.395
31 HB3 PHE 4 1HB PHE 4 4.236 1.943 -3.333
32 HD1 PHE 4 1HD PHE 4 1.442 -0.299 -2.595
33 HD2 PHE 4 2HD PHE 4 5.657 0.191 -2.434
34 HE1 PHE 4 1HE PHE 4 1.710 -2.707 -2.206
35 HE2 PHE 4 2HE PHE 4 5.928 -2.217 -2.047
36 HZ PHE 4 HZ PHE 4 3.951 -3.668 -1.933
37 H ARG 5 HN ARG 5 1.128 3.705 -2.043
38 HA ARG 5 HA ARG 5 -0.386 2.636 0.222
39 HB2 ARG 5 2HB ARG 5 -0.204 5.103 -0.025
40 HB3 ARG 5 1HB ARG 5 -0.989 4.983 -1.590
41 HG2 ARG 5 2HG ARG 5 -2.991 4.054 -0.470
42 HG3 ARG 5 1HG ARG 5 -2.196 4.304 1.086
43 HD2 ARG 5 2HD ARG 5 -3.692 6.152 0.652
44 HD3 ARG 5 1HD ARG 5 -2.026 6.720 0.561
45 HE ARG 5 HE ARG 5 -2.577 6.135 -2.003
46 HH11 ARG 5 1HH1 ARG 5 -4.272 8.163 0.368
47 HH12 ARG 5 2HH1 ARG 5 -5.040 9.120 -0.804
48 HH21 ARG 5 1HH2 ARG 5 -3.622 7.507 -3.614
49 HH22 ARG 5 2HH2 ARG 5 -4.667 8.734 -3.077
50 H VAL 6 HN VAL 6 -1.474 0.868 -0.337
51 HA VAL 6 HA VAL 6 -2.483 0.611 -3.063
52 HB VAL 6 HB VAL 6 -2.648 -1.393 -0.795
53 HG11 VAL 6 1HG1 VAL 6 -4.352 -1.738 -2.481
54 HG12 VAL 6 2HG1 VAL 6 -3.142 -3.017 -2.571
55 HG13 VAL 6 3HG1 VAL 6 -3.130 -1.708 -3.754
56 HG21 VAL 6 1HG2 VAL 6 -0.324 -0.991 -1.379
57 HG22 VAL 6 2HG2 VAL 6 -0.689 -1.266 -3.082
58 HG23 VAL 6 3HG2 VAL 6 -0.829 -2.589 -1.924
59 H CYS 7 HN CYS 7 -4.477 1.168 -3.495
60 HA CYS 7 HA CYS 7 -6.414 1.237 -1.306
61 HB2 CYS 7 2HB CYS 7 -6.279 2.999 -3.763
62 HB3 CYS 7 1HB CYS 7 -7.547 3.038 -2.544
63 H TYR 8 HN TYR 8 -7.944 -0.208 -1.531
64 HA TYR 8 HA TYR 8 -8.872 -0.841 -4.211
65 HB2 TYR 8 2HB TYR 8 -8.726 -3.211 -3.913
66 HB3 TYR 8 1HB TYR 8 -7.177 -2.571 -3.393
67 HD1 TYR 8 1HD TYR 8 -9.875 -4.634 -2.577
68 HD2 TYR 8 2HD TYR 8 -6.903 -2.207 -0.810
69 HE1 TYR 8 1HE TYR 8 -10.189 -5.831 -0.473
70 HE2 TYR 8 2HE TYR 8 -7.189 -3.412 1.329
71 HH TYR 8 HH TYR 8 -8.907 -4.735 2.442
72 H ARG 9 HN ARG 9 -11.023 -0.758 -4.277
73 HA ARG 9 HA ARG 9 -13.204 -0.608 -3.692
74 HB2 ARG 9 2HB ARG 9 -12.756 -2.940 -2.855
75 HB3 ARG 9 1HB ARG 9 -12.373 -2.277 -1.282
76 HG2 ARG 9 2HG ARG 9 -14.637 -1.567 -0.981
77 HG3 ARG 9 1HG ARG 9 -15.056 -2.048 -2.625
78 HD2 ARG 9 2HD ARG 9 -15.804 -3.720 -1.013
79 HD3 ARG 9 1HD ARG 9 -14.561 -4.364 -2.081
80 HE ARG 9 HE ARG 9 -13.642 -3.333 0.465
81 HH11 ARG 9 1HH1 ARG 9 -14.737 -6.182 -1.326
82 HH12 ARG 9 2HH1 ARG 9 -13.954 -7.301 -0.310
83 HH21 ARG 9 1HH2 ARG 9 -12.554 -4.893 1.880
84 HH22 ARG 9 2HH2 ARG 9 -12.731 -6.548 1.569
85 H GLY 10 HN GLY 10 -11.123 1.251 -2.728
86 HA2 GLY 10 2HA GLY 10 -11.441 3.395 -1.844
87 HA3 GLY 10 1HA GLY 10 -12.759 2.779 -0.859
88 H ILE 11 HN ILE 11 -10.610 0.485 -0.345
89 HA ILE 11 HA ILE 11 -9.766 1.703 2.170
90 HB ILE 11 HB ILE 11 -9.571 -1.168 1.221
91 HG12 ILE 11 2HG1 ILE 11 -11.897 -0.505 1.516
92 HG13 ILE 11 1HG1 ILE 11 -11.416 -1.600 2.807
93 HG21 ILE 11 1HG2 ILE 11 -9.093 -1.708 3.579
94 HG22 ILE 11 2HG2 ILE 11 -9.062 0.013 3.955
95 HG23 ILE 11 3HG2 ILE 11 -7.851 -0.673 2.870
96 HD11 ILE 11 1HD1 ILE 11 -12.799 0.214 3.660
97 HD12 ILE 11 2HD1 ILE 11 -11.653 1.397 3.018
98 HD13 ILE 11 3HD1 ILE 11 -11.159 0.315 4.314
99 H CYS 12 HN CYS 12 -7.927 2.613 2.348
100 HA CYS 12 HA CYS 12 -5.763 1.874 0.538
101 HB2 CYS 12 2HB CYS 12 -6.340 4.363 2.106
102 HB3 CYS 12 1HB CYS 12 -4.864 4.117 1.164
103 H TYR 13 HN TYR 13 -3.958 1.076 1.353
104 HA TYR 13 HA TYR 13 -3.352 1.461 4.156
105 HB2 TYR 13 2HB TYR 13 -2.774 -0.935 4.444
106 HB3 TYR 13 1HB TYR 13 -4.483 -0.687 4.145
107 HD1 TYR 13 1HD TYR 13 -5.501 -1.472 2.029
108 HD2 TYR 13 2HD TYR 13 -1.382 -2.068 2.867
109 HE1 TYR 13 1HE TYR 13 -5.382 -3.184 0.263
110 HE2 TYR 13 2HE TYR 13 -1.261 -3.759 1.098
111 HH TYR 13 HH TYR 13 -3.754 -4.275 -1.164
112 H ARG 14 HN ARG 14 -1.025 0.680 4.591
113 HA ARG 14 HA ARG 14 0.568 1.609 2.285
114 HB2 ARG 14 2HB ARG 14 0.341 3.157 4.243
115 HB3 ARG 14 1HB ARG 14 1.176 1.962 5.217
116 HG2 ARG 14 2HG ARG 14 2.771 3.603 4.609
117 HG3 ARG 14 1HG ARG 14 3.114 2.171 3.638
118 HD2 ARG 14 2HD ARG 14 3.252 4.213 2.289
119 HD3 ARG 14 1HD ARG 14 1.944 3.175 1.732
120 HE ARG 14 HE ARG 14 0.768 4.868 3.510
121 HH11 ARG 14 1HH1 ARG 14 2.681 5.414 0.546
122 HH12 ARG 14 2HH1 ARG 14 1.874 6.836 0.135
123 HH21 ARG 14 1HH2 ARG 14 -0.353 6.834 2.911
124 HH22 ARG 14 2HH2 ARG 14 0.107 7.680 1.511
125 H LYS 15 HN LYS 15 1.730 -0.050 1.472
126 HA LYS 15 HA LYS 15 2.992 -1.909 3.368
127 HB2 LYS 15 2HB LYS 15 2.352 -2.337 0.439
128 HB3 LYS 15 1HB LYS 15 3.292 -3.447 1.420
129 HG2 LYS 15 2HG LYS 15 0.403 -2.714 1.812
130 HG3 LYS 15 1HG LYS 15 1.022 -4.238 1.171
131 HD2 LYS 15 2HD LYS 15 2.179 -4.604 3.365
132 HD3 LYS 15 1HD LYS 15 1.386 -3.151 3.967
133 HE2 LYS 15 2HE LYS 15 0.131 -5.079 4.682
134 HE3 LYS 15 1HE LYS 15 -0.804 -4.185 3.491
135 HZ1 LYS 15 1HZ LYS 15 0.769 -6.645 2.965
136 HZ2 LYS 15 2HZ LYS 15 -0.124 -5.818 1.807
137 HZ3 LYS 15 3HZ LYS 15 -0.899 -6.566 3.095
138 H CYS 16 HN CYS 16 5.205 -2.331 3.113
139 HA CYS 16 HA CYS 16 6.574 -0.405 1.372
140 HB2 CYS 16 2HB CYS 16 7.487 -1.338 4.089
141 HB3 CYS 16 1HB CYS 16 8.270 -0.145 3.065
142 H ARG 17 HN ARG 17 7.709 -1.367 -0.119
143 HA ARG 17 HA ARG 17 8.753 -4.057 0.362
144 HB2 ARG 17 2HB ARG 17 7.575 -3.609 -1.824
145 HB3 ARG 17 1HB ARG 17 8.778 -2.380 -2.185
146 HG2 ARG 17 2HG ARG 17 10.525 -4.109 -2.191
147 HG3 ARG 17 1HG ARG 17 9.300 -5.329 -1.842
148 HD2 ARG 17 2HD ARG 17 9.832 -5.310 -4.221
149 HD3 ARG 17 1HD ARG 17 8.169 -4.787 -3.952
150 HE ARG 17 HE ARG 17 9.869 -2.561 -4.001
151 HH11 ARG 17 1HH1 ARG 17 8.419 -4.889 -6.280
152 HH12 ARG 17 2HH1 ARG 17 8.618 -3.840 -7.620
153 HH21 ARG 17 1HH2 ARG 17 10.128 -1.193 -5.856
154 HH22 ARG 17 2HH2 ARG 17 9.588 -1.734 -7.385
155 H GLY 18 HN GLY 18 10.414 -3.685 1.700
156 HA2 GLY 18 2HA GLY 18 12.504 -2.947 2.333
157 HA3 GLY 18 1HA GLY 18 12.627 -2.078 0.796
Start of MODEL 8
1 H1 ARG 1 HN ARG 1 13.025 -0.398 0.714
2 HA ARG 1 HA ARG 1 12.653 1.932 2.456
3 HB2 ARG 1 2HB ARG 1 13.912 3.177 0.737
4 HB3 ARG 1 1HB ARG 1 14.803 1.775 1.313
5 HG2 ARG 1 2HG ARG 1 14.269 0.544 -0.668
6 HG3 ARG 1 1HG ARG 1 13.189 1.818 -1.230
7 HD2 ARG 1 2HD ARG 1 15.099 3.314 -1.470
8 HD3 ARG 1 1HD ARG 1 16.178 2.053 -0.860
9 HE ARG 1 HE ARG 1 15.188 0.739 -2.838
10 HH11 ARG 1 1HH1 ARG 1 16.109 4.149 -2.913
11 HH12 ARG 1 2HH1 ARG 1 16.340 4.206 -4.594
12 HH21 ARG 1 1HH2 ARG 1 15.556 0.791 -5.130
13 HH22 ARG 1 2HH2 ARG 1 16.047 2.236 -5.899
14 H TRP 2 HN TRP 2 10.910 0.249 0.160
15 HA TRP 2 HA TRP 2 9.726 2.700 -0.899
16 HB2 TRP 2 2HB TRP 2 10.673 1.166 -2.576
17 HB3 TRP 2 1HB TRP 2 9.582 -0.092 -2.026
18 HD1 TRP 2 1HD TRP 2 8.570 3.576 -2.707
19 HE1 TRP 2 1HE TRP 2 6.788 3.588 -4.564
20 HE3 TRP 2 3HE TRP 2 8.606 -1.384 -3.893
21 HZ2 TRP 2 2HZ TRP 2 5.567 1.744 -6.307
22 HZ3 TRP 2 3HZ TRP 2 7.101 -2.179 -5.673
23 HH2 TRP 2 2HH TRP 2 5.620 -0.648 -6.852
24 H CYS 3 HN CYS 3 7.939 3.318 -0.044
25 HA CYS 3 HA CYS 3 5.992 1.333 0.855
26 HB2 CYS 3 2HB CYS 3 6.535 4.133 1.841
27 HB3 CYS 3 1HB CYS 3 5.102 3.208 2.265
28 H PHE 4 HN PHE 4 4.121 1.325 -0.159
29 HA PHE 4 HA PHE 4 3.347 3.673 -1.690
30 HB2 PHE 4 2HB PHE 4 2.551 2.110 -3.522
31 HB3 PHE 4 1HB PHE 4 4.295 2.254 -3.369
32 HD1 PHE 4 1HD PHE 4 5.608 0.380 -2.448
33 HD2 PHE 4 2HD PHE 4 1.432 0.049 -3.128
34 HE1 PHE 4 1HE PHE 4 5.788 -2.062 -2.304
35 HE2 PHE 4 2HE PHE 4 1.604 -2.397 -2.981
36 HZ PHE 4 HZ PHE 4 3.784 -3.455 -2.570
37 H ARG 5 HN ARG 5 1.169 4.085 -1.718
38 HA ARG 5 HA ARG 5 -0.347 2.473 0.203
39 HB2 ARG 5 2HB ARG 5 -0.071 4.896 0.673
40 HB3 ARG 5 1HB ARG 5 -0.947 5.251 -0.810
41 HG2 ARG 5 2HG ARG 5 -2.898 4.046 0.090
42 HG3 ARG 5 1HG ARG 5 -2.016 3.796 1.597
43 HD2 ARG 5 2HD ARG 5 -3.500 5.664 1.828
44 HD3 ARG 5 1HD ARG 5 -1.836 6.246 1.854
45 HE ARG 5 HE ARG 5 -2.227 6.789 -0.573
46 HH11 ARG 5 1HH1 ARG 5 -4.888 6.805 1.782
47 HH12 ARG 5 2HH1 ARG 5 -5.833 7.909 0.923
48 HH21 ARG 5 1HH2 ARG 5 -3.501 8.361 -1.715
49 HH22 ARG 5 2HH2 ARG 5 -5.025 8.838 -1.104
50 H VAL 6 HN VAL 6 -1.643 1.052 -0.632
51 HA VAL 6 HA VAL 6 -2.718 1.498 -3.323
52 HB VAL 6 HB VAL 6 -2.677 -1.059 -1.692
53 HG11 VAL 6 1HG1 VAL 6 -3.276 -2.173 -3.799
54 HG12 VAL 6 2HG1 VAL 6 -3.400 -0.597 -4.582
55 HG13 VAL 6 3HG1 VAL 6 -4.510 -1.023 -3.281
56 HG21 VAL 6 1HG2 VAL 6 -0.913 -0.225 -3.989
57 HG22 VAL 6 2HG2 VAL 6 -0.936 -1.822 -3.238
58 HG23 VAL 6 3HG2 VAL 6 -0.429 -0.415 -2.301
59 H CYS 7 HN CYS 7 -4.783 1.992 -3.531
60 HA CYS 7 HA CYS 7 -6.588 1.430 -1.297
61 HB2 CYS 7 2HB CYS 7 -6.741 3.652 -3.345
62 HB3 CYS 7 1HB CYS 7 -7.931 3.335 -2.088
63 H TYR 8 HN TYR 8 -7.874 -0.160 -1.737
64 HA TYR 8 HA TYR 8 -9.012 -0.269 -4.418
65 HB2 TYR 8 2HB TYR 8 -8.758 -2.667 -4.583
66 HB3 TYR 8 1HB TYR 8 -7.202 -1.989 -4.127
67 HD1 TYR 8 1HD TYR 8 -9.704 -4.369 -3.339
68 HD2 TYR 8 2HD TYR 8 -6.533 -2.136 -1.662
69 HE1 TYR 8 1HE TYR 8 -9.598 -5.968 -1.470
70 HE2 TYR 8 2HE TYR 8 -6.401 -3.726 0.227
71 HH TYR 8 HH TYR 8 -7.982 -6.724 0.191
72 H ARG 9 HN ARG 9 -11.126 -0.146 -4.337
73 HA ARG 9 HA ARG 9 -13.300 -0.191 -3.603
74 HB2 ARG 9 2HB ARG 9 -12.274 -2.294 -1.682
75 HB3 ARG 9 1HB ARG 9 -13.967 -1.915 -1.934
76 HG2 ARG 9 2HG ARG 9 -12.093 -3.033 -4.008
77 HG3 ARG 9 1HG ARG 9 -13.282 -3.955 -3.084
78 HD2 ARG 9 2HD ARG 9 -15.060 -2.537 -4.035
79 HD3 ARG 9 1HD ARG 9 -13.840 -1.726 -5.020
80 HE ARG 9 HE ARG 9 -13.543 -4.394 -5.514
81 HH11 ARG 9 1HH1 ARG 9 -16.049 -1.957 -5.956
82 HH12 ARG 9 2HH1 ARG 9 -16.829 -2.769 -7.222
83 HH21 ARG 9 1HH2 ARG 9 -14.586 -5.527 -7.244
84 HH22 ARG 9 2HH2 ARG 9 -15.964 -4.867 -7.993
85 H GLY 10 HN GLY 10 -11.204 1.507 -2.371
86 HA2 GLY 10 2HA GLY 10 -11.516 3.288 -0.852
87 HA3 GLY 10 1HA GLY 10 -12.753 2.332 -0.048
88 H ILE 11 HN ILE 11 -10.560 0.084 -0.286
89 HA ILE 11 HA ILE 11 -9.582 0.586 2.364
90 HB ILE 11 HB ILE 11 -9.206 -1.809 0.540
91 HG12 ILE 11 2HG1 ILE 11 -11.494 -1.565 1.359
92 HG13 ILE 11 1HG1 ILE 11 -10.716 -2.939 2.138
93 HG21 ILE 11 1HG2 ILE 11 -8.275 -2.984 2.477
94 HG22 ILE 11 2HG2 ILE 11 -8.334 -1.485 3.408
95 HG23 ILE 11 3HG2 ILE 11 -7.276 -1.608 2.004
96 HD11 ILE 11 1HD1 ILE 11 -12.032 -1.699 3.747
97 HD12 ILE 11 2HD1 ILE 11 -11.175 -0.214 3.346
98 HD13 ILE 11 3HD1 ILE 11 -10.317 -1.536 4.133
99 H CYS 12 HN CYS 12 -8.068 1.954 2.491
100 HA CYS 12 HA CYS 12 -5.838 1.911 0.612
101 HB2 CYS 12 2HB CYS 12 -6.726 3.918 2.661
102 HB3 CYS 12 1HB CYS 12 -5.239 4.058 1.713
103 H TYR 13 HN TYR 13 -4.137 0.839 1.190
104 HA TYR 13 HA TYR 13 -3.322 0.863 3.997
105 HB2 TYR 13 2HB TYR 13 -2.614 -1.482 3.871
106 HB3 TYR 13 1HB TYR 13 -4.329 -1.369 3.515
107 HD1 TYR 13 1HD TYR 13 -5.079 -1.592 1.105
108 HD2 TYR 13 2HD TYR 13 -1.078 -2.438 2.303
109 HE1 TYR 13 1HE TYR 13 -4.725 -2.848 -0.958
110 HE2 TYR 13 2HE TYR 13 -0.721 -3.688 0.232
111 HH TYR 13 HH TYR 13 -2.781 -3.536 -2.407
112 H ARG 14 HN ARG 14 -1.125 1.054 4.271
113 HA ARG 14 HA ARG 14 0.327 1.604 1.815
114 HB2 ARG 14 2HB ARG 14 0.371 3.437 3.384
115 HB3 ARG 14 1HB ARG 14 0.931 2.379 4.668
116 HG2 ARG 14 2HG ARG 14 3.040 2.050 3.527
117 HG3 ARG 14 1HG ARG 14 2.477 3.015 2.161
118 HD2 ARG 14 2HD ARG 14 3.932 4.287 3.678
119 HD3 ARG 14 1HD ARG 14 2.308 4.959 3.554
120 HE ARG 14 HE ARG 14 2.809 3.152 5.762
121 HH11 ARG 14 1HH1 ARG 14 2.596 6.503 4.646
122 HH12 ARG 14 2HH1 ARG 14 2.319 7.156 6.198
123 HH21 ARG 14 1HH2 ARG 14 2.418 4.061 7.911
124 HH22 ARG 14 2HH2 ARG 14 2.214 5.736 8.081
125 H LYS 15 HN LYS 15 1.472 0.115 1.055
126 HA LYS 15 HA LYS 15 2.341 -2.070 2.784
127 HB2 LYS 15 2HB LYS 15 0.931 -2.503 0.718
128 HB3 LYS 15 1HB LYS 15 2.285 -1.931 -0.237
129 HG2 LYS 15 2HG LYS 15 2.316 -4.313 -0.234
130 HG3 LYS 15 1HG LYS 15 3.667 -3.738 0.754
131 HD2 LYS 15 2HD LYS 15 2.289 -4.107 2.777
132 HD3 LYS 15 1HD LYS 15 1.011 -4.756 1.758
133 HE2 LYS 15 2HE LYS 15 2.299 -6.555 2.751
134 HE3 LYS 15 1HE LYS 15 2.522 -6.532 1.004
135 HZ1 LYS 15 1HZ LYS 15 4.656 -5.445 1.316
136 HZ2 LYS 15 2HZ LYS 15 4.609 -6.878 2.172
137 HZ3 LYS 15 3HZ LYS 15 4.447 -5.428 2.993
138 H CYS 16 HN CYS 16 4.509 -2.356 3.101
139 HA CYS 16 HA CYS 16 6.278 -0.597 1.567
140 HB2 CYS 16 2HB CYS 16 6.431 -1.254 4.503
141 HB3 CYS 16 1HB CYS 16 7.660 -0.378 3.605
142 H ARG 17 HN ARG 17 8.021 -1.480 0.756
143 HA ARG 17 HA ARG 17 8.973 -3.959 1.889
144 HB2 ARG 17 2HB ARG 17 9.650 -4.753 -0.390
145 HB3 ARG 17 1HB ARG 17 7.918 -4.687 -0.166
146 HG2 ARG 17 2HG ARG 17 7.758 -2.708 -1.527
147 HG3 ARG 17 1HG ARG 17 9.514 -2.566 -1.595
148 HD2 ARG 17 2HD ARG 17 7.890 -4.849 -2.724
149 HD3 ARG 17 1HD ARG 17 8.603 -3.539 -3.667
150 HE ARG 17 HE ARG 17 10.500 -4.936 -2.044
151 HH11 ARG 17 1HH1 ARG 17 8.871 -5.019 -5.206
152 HH12 ARG 17 2HH1 ARG 17 10.068 -5.949 -5.956
153 HH21 ARG 17 1HH2 ARG 17 12.148 -6.202 -3.065
154 HH22 ARG 17 2HH2 ARG 17 12.013 -6.634 -4.700
155 H GLY 18 HN GLY 18 10.614 -3.213 2.944
156 HA2 GLY 18 2HA GLY 18 12.710 -2.430 3.329
157 HA3 GLY 18 1HA GLY 18 12.933 -2.323 1.586
Start of MODEL 9
1 H1 ARG 1 HN ARG 1 12.341 -0.336 0.545
2 HA ARG 1 HA ARG 1 12.229 1.533 2.824
3 HB2 ARG 1 2HB ARG 1 13.736 3.074 1.762
4 HB3 ARG 1 1HB ARG 1 14.530 1.507 1.768
5 HG2 ARG 1 2HG ARG 1 13.888 1.186 -0.579
6 HG3 ARG 1 1HG ARG 1 13.131 2.778 -0.578
7 HD2 ARG 1 2HD ARG 1 15.362 3.716 0.059
8 HD3 ARG 1 1HD ARG 1 16.051 2.119 -0.229
9 HE ARG 1 HE ARG 1 14.662 3.740 -2.237
10 HH11 ARG 1 1HH1 ARG 1 17.142 1.315 -1.475
11 HH12 ARG 1 2HH1 ARG 1 17.874 1.383 -3.007
12 HH21 ARG 1 1HH2 ARG 1 15.662 3.792 -4.366
13 HH22 ARG 1 2HH2 ARG 1 17.007 2.795 -4.683
14 H TRP 2 HN TRP 2 10.793 0.265 0.153
15 HA TRP 2 HA TRP 2 9.744 2.755 -0.875
16 HB2 TRP 2 2HB TRP 2 10.704 1.220 -2.496
17 HB3 TRP 2 1HB TRP 2 9.648 -0.064 -1.934
18 HD1 TRP 2 1HD TRP 2 8.601 3.539 -2.903
19 HE1 TRP 2 1HE TRP 2 6.885 3.364 -4.828
20 HE3 TRP 2 3HE TRP 2 8.728 -1.506 -3.639
21 HZ2 TRP 2 2HZ TRP 2 5.762 1.355 -6.439
22 HZ3 TRP 2 3HZ TRP 2 7.314 -2.479 -5.395
23 HH2 TRP 2 2HH TRP 2 5.864 -1.077 -6.765
24 H CYS 3 HN CYS 3 7.969 3.448 -0.002
25 HA CYS 3 HA CYS 3 5.991 1.527 0.961
26 HB2 CYS 3 2HB CYS 3 6.475 4.398 1.792
27 HB3 CYS 3 1HB CYS 3 5.146 3.395 2.365
28 H PHE 4 HN PHE 4 4.277 1.344 -0.201
29 HA PHE 4 HA PHE 4 3.373 3.650 -1.717
30 HB2 PHE 4 2HB PHE 4 2.666 2.087 -3.555
31 HB3 PHE 4 1HB PHE 4 4.401 2.257 -3.372
32 HD1 PHE 4 1HD PHE 4 1.605 -0.009 -3.377
33 HD2 PHE 4 2HD PHE 4 5.698 0.390 -2.307
34 HE1 PHE 4 1HE PHE 4 1.828 -2.456 -3.311
35 HE2 PHE 4 2HE PHE 4 5.927 -2.046 -2.236
36 HZ PHE 4 HZ PHE 4 3.997 -3.477 -2.740
37 H ARG 5 HN ARG 5 1.219 3.951 -1.835
38 HA ARG 5 HA ARG 5 -0.317 2.367 0.103
39 HB2 ARG 5 2HB ARG 5 -0.120 4.790 0.552
40 HB3 ARG 5 1HB ARG 5 -0.854 5.128 -1.006
41 HG2 ARG 5 2HG ARG 5 -2.901 3.938 -0.233
42 HG3 ARG 5 1HG ARG 5 -2.156 3.790 1.359
43 HD2 ARG 5 2HD ARG 5 -3.651 5.705 1.314
44 HD3 ARG 5 1HD ARG 5 -1.981 6.245 1.478
45 HE ARG 5 HE ARG 5 -2.406 6.296 -1.195
46 HH11 ARG 5 1HH1 ARG 5 -4.034 7.852 1.556
47 HH12 ARG 5 2HH1 ARG 5 -4.645 9.133 0.624
48 HH21 ARG 5 1HH2 ARG 5 -3.220 8.093 -2.436
49 HH22 ARG 5 2HH2 ARG 5 -4.180 9.266 -1.674
50 H VAL 6 HN VAL 6 -1.653 0.937 -0.746
51 HA VAL 6 HA VAL 6 -2.679 1.405 -3.457
52 HB VAL 6 HB VAL 6 -2.599 -1.195 -1.884
53 HG11 VAL 6 1HG1 VAL 6 -4.411 -1.132 -3.509
54 HG12 VAL 6 2HG1 VAL 6 -3.159 -2.267 -4.011
55 HG13 VAL 6 3HG1 VAL 6 -3.273 -0.684 -4.780
56 HG21 VAL 6 1HG2 VAL 6 -0.817 -1.881 -3.432
57 HG22 VAL 6 2HG2 VAL 6 -0.350 -0.492 -2.451
58 HG23 VAL 6 3HG2 VAL 6 -0.822 -0.262 -4.135
59 H CYS 7 HN CYS 7 -4.815 1.757 -3.692
60 HA CYS 7 HA CYS 7 -6.529 1.256 -1.371
61 HB2 CYS 7 2HB CYS 7 -6.767 3.468 -3.424
62 HB3 CYS 7 1HB CYS 7 -7.866 3.186 -2.081
63 H TYR 8 HN TYR 8 -8.121 -0.099 -1.703
64 HA TYR 8 HA TYR 8 -9.274 -0.313 -4.368
65 HB2 TYR 8 2HB TYR 8 -9.212 -2.714 -4.427
66 HB3 TYR 8 1HB TYR 8 -7.591 -2.182 -4.019
67 HD1 TYR 8 1HD TYR 8 -7.075 -2.137 -1.432
68 HD2 TYR 8 2HD TYR 8 -10.167 -4.409 -3.215
69 HE1 TYR 8 1HE TYR 8 -7.068 -3.657 0.511
70 HE2 TYR 8 2HE TYR 8 -10.187 -5.935 -1.287
71 HH TYR 8 HH TYR 8 -8.650 -5.240 1.619
72 H ARG 9 HN ARG 9 -11.417 -0.271 -4.285
73 HA ARG 9 HA ARG 9 -13.556 -0.110 -3.513
74 HB2 ARG 9 2HB ARG 9 -12.662 -2.018 -1.346
75 HB3 ARG 9 1HB ARG 9 -14.317 -1.691 -1.829
76 HG2 ARG 9 2HG ARG 9 -13.844 -2.686 -4.030
77 HG3 ARG 9 1HG ARG 9 -12.204 -3.052 -3.486
78 HD2 ARG 9 2HD ARG 9 -14.770 -4.076 -2.304
79 HD3 ARG 9 1HD ARG 9 -13.595 -5.012 -3.229
80 HE ARG 9 HE ARG 9 -12.057 -4.251 -1.279
81 HH11 ARG 9 1HH1 ARG 9 -15.433 -5.312 -1.059
82 HH12 ARG 9 2HH1 ARG 9 -15.309 -5.938 0.510
83 HH21 ARG 9 1HH2 ARG 9 -11.866 -5.128 0.965
84 HH22 ARG 9 2HH2 ARG 9 -13.228 -5.830 1.673
85 H GLY 10 HN GLY 10 -11.304 1.527 -2.288
86 HA2 GLY 10 2HA GLY 10 -11.603 3.457 -1.003
87 HA3 GLY 10 1HA GLY 10 -12.905 2.659 -0.127
88 H ILE 11 HN ILE 11 -10.639 0.360 -0.263
89 HA ILE 11 HA ILE 11 -9.669 1.019 2.403
90 HB ILE 11 HB ILE 11 -9.502 -1.584 0.852
91 HG12 ILE 11 2HG1 ILE 11 -11.803 -1.064 1.433
92 HG13 ILE 11 1HG1 ILE 11 -11.228 -2.381 2.448
93 HG21 ILE 11 1HG2 ILE 11 -7.671 -1.394 2.456
94 HG22 ILE 11 2HG2 ILE 11 -8.832 -2.611 2.987
95 HG23 ILE 11 3HG2 ILE 11 -8.819 -1.018 3.743
96 HD11 ILE 11 1HD1 ILE 11 -10.882 -0.787 4.284
97 HD12 ILE 11 2HD1 ILE 11 -12.559 -0.812 3.734
98 HD13 ILE 11 3HD1 ILE 11 -11.493 0.511 3.261
99 H CYS 12 HN CYS 12 -7.875 1.987 2.569
100 HA CYS 12 HA CYS 12 -5.824 1.720 0.508
101 HB2 CYS 12 2HB CYS 12 -6.389 3.832 2.556
102 HB3 CYS 12 1HB CYS 12 -4.953 3.837 1.524
103 H TYR 13 HN TYR 13 -4.133 0.548 1.018
104 HA TYR 13 HA TYR 13 -3.321 0.464 3.810
105 HB2 TYR 13 2HB TYR 13 -2.648 -1.912 3.528
106 HB3 TYR 13 1HB TYR 13 -4.378 -1.677 3.357
107 HD1 TYR 13 1HD TYR 13 -1.339 -2.795 1.772
108 HD2 TYR 13 2HD TYR 13 -5.411 -1.838 1.069
109 HE1 TYR 13 1HE TYR 13 -1.252 -4.029 -0.342
110 HE2 TYR 13 2HE TYR 13 -5.334 -3.076 -1.053
111 HH TYR 13 HH TYR 13 -2.910 -5.203 -1.811
112 H ARG 14 HN ARG 14 -1.193 0.653 4.185
113 HA ARG 14 HA ARG 14 0.401 1.482 1.903
114 HB2 ARG 14 2HB ARG 14 0.225 2.896 3.963
115 HB3 ARG 14 1HB ARG 14 1.079 1.636 4.842
116 HG2 ARG 14 2HG ARG 14 2.987 1.907 3.303
117 HG3 ARG 14 1HG ARG 14 2.122 3.225 2.513
118 HD2 ARG 14 2HD ARG 14 3.628 4.234 4.044
119 HD3 ARG 14 1HD ARG 14 2.018 4.344 4.757
120 HE ARG 14 HE ARG 14 3.088 2.030 5.737
121 HH11 ARG 14 1HH1 ARG 14 3.882 5.462 5.899
122 HH12 ARG 14 2HH1 ARG 14 4.845 5.347 7.298
123 HH21 ARG 14 1HH2 ARG 14 4.434 1.839 7.681
124 HH22 ARG 14 2HH2 ARG 14 5.185 3.231 8.313
125 H LYS 15 HN LYS 15 1.868 0.229 1.076
126 HA LYS 15 HA LYS 15 2.793 -2.082 2.621
127 HB2 LYS 15 2HB LYS 15 2.722 -1.661 -0.369
128 HB3 LYS 15 1HB LYS 15 3.423 -3.058 0.422
129 HG2 LYS 15 2HG LYS 15 0.523 -2.246 0.502
130 HG3 LYS 15 1HG LYS 15 1.212 -3.522 -0.497
131 HD2 LYS 15 2HD LYS 15 1.196 -3.467 2.529
132 HD3 LYS 15 1HD LYS 15 0.102 -4.401 1.522
133 HE2 LYS 15 2HE LYS 15 2.028 -5.632 0.594
134 HE3 LYS 15 1HE LYS 15 3.097 -4.714 1.651
135 HZ1 LYS 15 1HZ LYS 15 1.959 -5.666 3.568
136 HZ2 LYS 15 2HZ LYS 15 2.587 -6.875 2.599
137 HZ3 LYS 15 3HZ LYS 15 0.943 -6.549 2.561
138 H CYS 16 HN CYS 16 4.634 -1.598 3.516
139 HA CYS 16 HA CYS 16 6.600 -0.077 1.994
140 HB2 CYS 16 2HB CYS 16 6.452 -0.767 4.931
141 HB3 CYS 16 1HB CYS 16 7.838 0.006 4.169
142 H ARG 17 HN ARG 17 8.003 -1.156 0.964
143 HA ARG 17 HA ARG 17 8.843 -3.757 1.995
144 HB2 ARG 17 2HB ARG 17 7.336 -3.902 0.004
145 HB3 ARG 17 1HB ARG 17 8.507 -2.955 -0.898
146 HG2 ARG 17 2HG ARG 17 10.152 -4.720 -0.662
147 HG3 ARG 17 1HG ARG 17 9.024 -5.647 0.328
148 HD2 ARG 17 2HD ARG 17 8.577 -4.824 -2.532
149 HD3 ARG 17 1HD ARG 17 9.047 -6.439 -1.993
150 HE ARG 17 HE ARG 17 6.771 -5.870 -0.600
151 HH11 ARG 17 1HH1 ARG 17 7.547 -5.951 -4.032
152 HH12 ARG 17 2HH1 ARG 17 6.010 -6.454 -4.537
153 HH21 ARG 17 1HH2 ARG 17 4.665 -6.574 -1.253
154 HH22 ARG 17 2HH2 ARG 17 4.309 -6.845 -2.900
155 H GLY 18 HN GLY 18 10.841 -3.448 2.679
156 HA2 GLY 18 2HA GLY 18 13.092 -2.984 2.609
157 HA3 GLY 18 1HA GLY 18 12.897 -2.441 0.945
Start of MODEL 10
1 H1 ARG 1 HN ARG 1 12.921 -0.325 1.088
2 HA ARG 1 HA ARG 1 12.167 1.812 2.923
3 HB2 ARG 1 2HB ARG 1 14.428 1.874 2.047
4 HB3 ARG 1 1HB ARG 1 13.835 1.772 0.398
5 HG2 ARG 1 2HG ARG 1 12.764 3.983 0.693
6 HG3 ARG 1 1HG ARG 1 13.477 4.080 2.300
7 HD2 ARG 1 2HD ARG 1 15.692 4.048 1.389
8 HD3 ARG 1 1HD ARG 1 15.075 3.732 -0.234
9 HE ARG 1 HE ARG 1 13.858 6.029 0.496
10 HH11 ARG 1 1HH1 ARG 1 17.274 5.081 0.347
11 HH12 ARG 1 2HH1 ARG 1 17.842 6.630 -0.049
12 HH21 ARG 1 1HH2 ARG 1 14.642 8.169 -0.051
13 HH22 ARG 1 2HH2 ARG 1 16.296 8.444 -0.303
14 H TRP 2 HN TRP 2 11.152 0.367 -0.050
15 HA TRP 2 HA TRP 2 9.811 2.743 -1.059
16 HB2 TRP 2 2HB TRP 2 11.006 1.139 -2.560
17 HB3 TRP 2 1HB TRP 2 9.823 -0.085 -2.128
18 HD1 TRP 2 1HD TRP 2 7.298 0.446 -2.899
19 HE1 TRP 2 1HE TRP 2 6.410 1.642 -5.062
20 HE3 TRP 2 3HE TRP 2 11.516 2.914 -4.224
21 HZ2 TRP 2 2HZ TRP 2 7.420 3.375 -7.021
22 HZ3 TRP 2 3HZ TRP 2 11.504 4.318 -6.249
23 HH2 TRP 2 2HH TRP 2 9.486 4.537 -7.615
24 H CYS 3 HN CYS 3 8.096 3.327 0.083
25 HA CYS 3 HA CYS 3 6.067 1.308 0.720
26 HB2 CYS 3 2HB CYS 3 6.499 4.060 1.890
27 HB3 CYS 3 1HB CYS 3 5.206 2.954 2.328
28 H PHE 4 HN PHE 4 4.106 1.468 -0.133
29 HA PHE 4 HA PHE 4 3.368 3.910 -1.496
30 HB2 PHE 4 2HB PHE 4 2.598 2.593 -3.491
31 HB3 PHE 4 1HB PHE 4 4.341 2.650 -3.292
32 HD1 PHE 4 1HD PHE 4 1.464 0.552 -3.646
33 HD2 PHE 4 2HD PHE 4 5.478 0.625 -2.293
34 HE1 PHE 4 1HE PHE 4 1.558 -1.899 -3.791
35 HE2 PHE 4 2HE PHE 4 5.586 -1.830 -2.437
36 HZ PHE 4 HZ PHE 4 3.613 -3.092 -3.194
37 H ARG 5 HN ARG 5 1.264 4.326 -1.540
38 HA ARG 5 HA ARG 5 -0.448 2.955 0.313
39 HB2 ARG 5 2HB ARG 5 -0.435 5.378 0.198
40 HB3 ARG 5 1HB ARG 5 -0.827 5.335 -1.508
41 HG2 ARG 5 2HG ARG 5 -3.045 4.467 -0.982
42 HG3 ARG 5 1HG ARG 5 -2.640 4.459 0.738
43 HD2 ARG 5 2HD ARG 5 -2.334 6.853 0.722
44 HD3 ARG 5 1HD ARG 5 -2.585 6.912 -1.015
45 HE ARG 5 HE ARG 5 -4.875 5.893 -0.283
46 HH11 ARG 5 1HH1 ARG 5 -3.090 8.497 1.311
47 HH12 ARG 5 2HH1 ARG 5 -4.465 9.370 1.801
48 HH21 ARG 5 1HH2 ARG 5 -6.831 7.112 0.412
49 HH22 ARG 5 2HH2 ARG 5 -6.633 8.539 1.287
50 H VAL 6 HN VAL 6 -1.690 1.286 -0.243
51 HA VAL 6 HA VAL 6 -2.440 0.914 -3.053
52 HB VAL 6 HB VAL 6 -2.565 -1.109 -0.808
53 HG11 VAL 6 1HG1 VAL 6 -2.692 -1.454 -3.795
54 HG12 VAL 6 2HG1 VAL 6 -4.030 -1.610 -2.658
55 HG13 VAL 6 3HG1 VAL 6 -2.696 -2.763 -2.613
56 HG21 VAL 6 1HG2 VAL 6 -0.368 -0.764 -2.848
57 HG22 VAL 6 2HG2 VAL 6 -0.516 -2.114 -1.721
58 HG23 VAL 6 3HG2 VAL 6 -0.236 -0.483 -1.113
59 H CYS 7 HN CYS 7 -4.483 1.680 -3.388
60 HA CYS 7 HA CYS 7 -6.400 1.268 -1.210
61 HB2 CYS 7 2HB CYS 7 -6.550 3.303 -3.455
62 HB3 CYS 7 1HB CYS 7 -7.718 3.097 -2.164
63 H TYR 8 HN TYR 8 -7.979 -0.121 -1.560
64 HA TYR 8 HA TYR 8 -8.973 -0.442 -4.251
65 HB2 TYR 8 2HB TYR 8 -8.703 -2.737 -4.445
66 HB3 TYR 8 1HB TYR 8 -7.187 -2.266 -3.684
67 HD1 TYR 8 1HD TYR 8 -7.276 -2.456 -1.004
68 HD2 TYR 8 2HD TYR 8 -9.799 -4.547 -3.684
69 HE1 TYR 8 1HE TYR 8 -7.698 -4.181 0.732
70 HE2 TYR 8 2HE TYR 8 -10.240 -6.242 -1.998
71 HH TYR 8 HH TYR 8 -9.233 -7.129 -0.042
72 H ARG 9 HN ARG 9 -11.127 -0.689 -4.293
73 HA ARG 9 HA ARG 9 -13.291 -0.737 -3.605
74 HB2 ARG 9 2HB ARG 9 -12.274 -2.204 -1.149
75 HB3 ARG 9 1HB ARG 9 -13.943 -2.118 -1.679
76 HG2 ARG 9 2HG ARG 9 -11.676 -3.503 -3.103
77 HG3 ARG 9 1HG ARG 9 -12.997 -4.270 -2.223
78 HD2 ARG 9 2HD ARG 9 -13.251 -2.588 -4.711
79 HD3 ARG 9 1HD ARG 9 -13.373 -4.342 -4.624
80 HE ARG 9 HE ARG 9 -15.294 -3.887 -3.065
81 HH11 ARG 9 1HH1 ARG 9 -14.467 -1.731 -5.753
82 HH12 ARG 9 2HH1 ARG 9 -16.049 -1.164 -5.964
83 HH21 ARG 9 1HH2 ARG 9 -17.460 -3.107 -3.366
84 HH22 ARG 9 2HH2 ARG 9 -17.800 -1.983 -4.585
85 H GLY 10 HN GLY 10 -11.195 1.244 -2.575
86 HA2 GLY 10 2HA GLY 10 -11.655 3.339 -1.607
87 HA3 GLY 10 1HA GLY 10 -12.968 2.607 -0.694
88 H ILE 11 HN ILE 11 -10.652 0.402 -0.310
89 HA ILE 11 HA ILE 11 -9.924 1.502 2.297
90 HB ILE 11 HB ILE 11 -9.675 -1.308 1.172
91 HG12 ILE 11 2HG1 ILE 11 -11.993 -0.693 1.625
92 HG13 ILE 11 1HG1 ILE 11 -11.445 -1.881 2.801
93 HG21 ILE 11 1HG2 ILE 11 -9.064 -2.028 3.440
94 HG22 ILE 11 2HG2 ILE 11 -9.047 -0.345 3.963
95 HG23 ILE 11 3HG2 ILE 11 -7.880 -0.905 2.766
96 HD11 ILE 11 1HD1 ILE 11 -12.790 -0.172 3.872
97 HD12 ILE 11 2HD1 ILE 11 -11.724 1.087 3.257
98 HD13 ILE 11 3HD1 ILE 11 -11.121 -0.072 4.439
99 H CYS 12 HN CYS 12 -7.984 2.263 2.698
100 HA CYS 12 HA CYS 12 -5.897 1.846 0.688
101 HB2 CYS 12 2HB CYS 12 -6.466 4.177 2.491
102 HB3 CYS 12 1HB CYS 12 -5.022 4.041 1.486
103 H TYR 13 HN TYR 13 -4.229 0.720 1.343
104 HA TYR 13 HA TYR 13 -3.378 0.992 4.100
105 HB2 TYR 13 2HB TYR 13 -2.806 -1.438 4.159
106 HB3 TYR 13 1HB TYR 13 -4.530 -1.144 4.041
107 HD1 TYR 13 1HD TYR 13 -1.593 -2.515 2.395
108 HD2 TYR 13 2HD TYR 13 -5.740 -1.721 1.960
109 HE1 TYR 13 1HE TYR 13 -1.692 -4.077 0.494
110 HE2 TYR 13 2HE TYR 13 -5.841 -3.283 0.070
111 HH TYR 13 HH TYR 13 -3.331 -5.438 -0.640
112 H ARG 14 HN ARG 14 -1.119 0.710 4.370
113 HA ARG 14 HA ARG 14 0.308 1.416 1.913
114 HB2 ARG 14 2HB ARG 14 0.451 3.038 3.726
115 HB3 ARG 14 1HB ARG 14 1.050 1.792 4.809
116 HG2 ARG 14 2HG ARG 14 3.038 1.548 3.337
117 HG3 ARG 14 1HG ARG 14 2.451 2.921 2.400
118 HD2 ARG 14 2HD ARG 14 3.035 2.986 5.350
119 HD3 ARG 14 1HD ARG 14 4.165 3.518 4.111
120 HE ARG 14 HE ARG 14 1.869 4.918 3.658
121 HH11 ARG 14 1HH1 ARG 14 3.967 4.485 6.484
122 HH12 ARG 14 2HH1 ARG 14 3.826 6.105 7.009
123 HH21 ARG 14 1HH2 ARG 14 1.671 7.154 4.401
124 HH22 ARG 14 2HH2 ARG 14 2.502 7.652 5.795
125 H LYS 15 HN LYS 15 1.691 0.040 1.033
126 HA LYS 15 HA LYS 15 2.730 -2.121 2.707
127 HB2 LYS 15 2HB LYS 15 2.255 -2.056 -0.280
128 HB3 LYS 15 1HB LYS 15 3.243 -3.283 0.496
129 HG2 LYS 15 2HG LYS 15 0.313 -2.779 1.014
130 HG3 LYS 15 1HG LYS 15 0.993 -4.113 0.080
131 HD2 LYS 15 2HD LYS 15 2.180 -4.901 2.083
132 HD3 LYS 15 1HD LYS 15 1.475 -3.582 3.015
133 HE2 LYS 15 2HE LYS 15 -0.777 -4.493 2.464
134 HE3 LYS 15 1HE LYS 15 0.023 -5.874 1.717
135 HZ1 LYS 15 1HZ LYS 15 -0.654 -6.314 4.006
136 HZ2 LYS 15 2HZ LYS 15 0.311 -5.046 4.546
137 HZ3 LYS 15 3HZ LYS 15 1.027 -6.402 3.858
138 H CYS 16 HN CYS 16 4.818 -2.346 2.970
139 HA CYS 16 HA CYS 16 6.530 -0.407 1.610
140 HB2 CYS 16 2HB CYS 16 6.612 -1.383 4.458
141 HB3 CYS 16 1HB CYS 16 7.937 -0.516 3.694
142 H ARG 17 HN ARG 17 7.897 -1.316 0.323
143 HA ARG 17 HA ARG 17 8.889 -3.989 0.973
144 HB2 ARG 17 2HB ARG 17 9.035 -2.429 -1.629
145 HB3 ARG 17 1HB ARG 17 9.706 -4.033 -1.376
146 HG2 ARG 17 2HG ARG 17 7.445 -4.900 -0.971
147 HG3 ARG 17 1HG ARG 17 6.787 -3.291 -1.262
148 HD2 ARG 17 2HD ARG 17 7.678 -3.342 -3.543
149 HD3 ARG 17 1HD ARG 17 8.347 -4.946 -3.251
150 HE ARG 17 HE ARG 17 5.472 -4.502 -2.961
151 HH11 ARG 17 1HH1 ARG 17 8.119 -6.128 -4.672
152 HH12 ARG 17 2HH1 ARG 17 7.088 -7.142 -5.560
153 HH21 ARG 17 1HH2 ARG 17 4.080 -5.865 -4.208
154 HH22 ARG 17 2HH2 ARG 17 4.733 -6.990 -5.299
155 H GLY 18 HN GLY 18 10.316 -3.388 2.522
156 HA2 GLY 18 2HA GLY 18 12.308 -2.671 3.370
157 HA3 GLY 18 1HA GLY 18 12.823 -2.328 1.720
Start of MODEL 11
1 H1 ARG 1 HN ARG 1 12.477 -0.647 -0.143
2 HA ARG 1 HA ARG 1 12.870 1.093 2.196
3 HB2 ARG 1 2HB ARG 1 14.027 1.513 -0.567
4 HB3 ARG 1 1HB ARG 1 14.170 2.620 0.783
5 HG2 ARG 1 2HG ARG 1 15.472 0.897 1.999
6 HG3 ARG 1 1HG ARG 1 15.384 -0.123 0.561
7 HD2 ARG 1 2HD ARG 1 17.497 1.075 0.597
8 HD3 ARG 1 1HD ARG 1 16.489 1.633 -0.739
9 HE ARG 1 HE ARG 1 16.298 3.138 1.704
10 HH11 ARG 1 1HH1 ARG 1 17.838 2.900 -1.471
11 HH12 ARG 1 2HH1 ARG 1 18.333 4.523 -1.541
12 HH21 ARG 1 1HH2 ARG 1 16.966 5.431 1.619
13 HH22 ARG 1 2HH2 ARG 1 17.816 5.990 0.269
14 H TRP 2 HN TRP 2 10.719 0.087 -0.002
15 HA TRP 2 HA TRP 2 9.799 2.787 -0.702
16 HB2 TRP 2 2HB TRP 2 10.455 1.137 -2.529
17 HB3 TRP 2 1HB TRP 2 9.030 0.225 -2.067
18 HD1 TRP 2 1HD TRP 2 6.627 1.532 -2.423
19 HE1 TRP 2 1HE TRP 2 5.942 3.237 -4.239
20 HE3 TRP 2 3HE TRP 2 11.253 2.972 -3.970
21 HZ2 TRP 2 2HZ TRP 2 7.188 4.954 -6.052
22 HZ3 TRP 2 3HZ TRP 2 11.422 4.662 -5.758
23 HH2 TRP 2 2HH TRP 2 9.437 5.623 -6.768
24 H CYS 3 HN CYS 3 8.054 3.455 0.258
25 HA CYS 3 HA CYS 3 6.126 1.504 1.283
26 HB2 CYS 3 2HB CYS 3 6.600 4.393 2.078
27 HB3 CYS 3 1HB CYS 3 5.304 3.380 2.697
28 H PHE 4 HN PHE 4 4.367 1.307 0.140
29 HA PHE 4 HA PHE 4 3.600 3.525 -1.589
30 HB2 PHE 4 2HB PHE 4 2.846 1.819 -3.262
31 HB3 PHE 4 1HB PHE 4 4.581 1.886 -3.021
32 HD1 PHE 4 1HD PHE 4 1.608 -0.163 -2.842
33 HD2 PHE 4 2HD PHE 4 5.721 0.017 -1.731
34 HE1 PHE 4 1HE PHE 4 1.629 -2.588 -2.468
35 HE2 PHE 4 2HE PHE 4 5.738 -2.387 -1.364
36 HZ PHE 4 HZ PHE 4 3.696 -3.706 -1.726
37 H ARG 5 HN ARG 5 1.522 4.040 -1.704
38 HA ARG 5 HA ARG 5 -0.319 2.720 0.156
39 HB2 ARG 5 2HB ARG 5 -0.153 5.112 0.481
40 HB3 ARG 5 1HB ARG 5 -0.451 5.405 -1.227
41 HG2 ARG 5 2HG ARG 5 -2.730 4.514 -0.968
42 HG3 ARG 5 1HG ARG 5 -2.426 4.267 0.750
43 HD2 ARG 5 2HD ARG 5 -2.135 6.634 1.082
44 HD3 ARG 5 1HD ARG 5 -2.272 6.935 -0.652
45 HE ARG 5 HE ARG 5 -4.585 5.756 -0.182
46 HH11 ARG 5 1HH1 ARG 5 -2.996 8.377 1.580
47 HH12 ARG 5 2HH1 ARG 5 -4.430 9.069 2.171
48 HH21 ARG 5 1HH2 ARG 5 -6.590 6.708 0.600
49 HH22 ARG 5 2HH2 ARG 5 -6.548 8.050 1.635
50 H VAL 6 HN VAL 6 -1.985 1.603 -0.521
51 HA VAL 6 HA VAL 6 -2.744 1.754 -3.350
52 HB VAL 6 HB VAL 6 -2.813 -0.733 -1.626
53 HG11 VAL 6 1HG1 VAL 6 -3.341 -0.354 -4.564
54 HG12 VAL 6 2HG1 VAL 6 -4.526 -0.738 -3.315
55 HG13 VAL 6 3HG1 VAL 6 -3.274 -1.908 -3.734
56 HG21 VAL 6 1HG2 VAL 6 -0.857 -0.016 -3.810
57 HG22 VAL 6 2HG2 VAL 6 -0.980 -1.596 -3.035
58 HG23 VAL 6 3HG2 VAL 6 -0.499 -0.184 -2.092
59 H CYS 7 HN CYS 7 -4.809 2.326 -3.563
60 HA CYS 7 HA CYS 7 -6.657 1.655 -1.390
61 HB2 CYS 7 2HB CYS 7 -6.804 3.941 -3.359
62 HB3 CYS 7 1HB CYS 7 -8.058 3.536 -2.197
63 H TYR 8 HN TYR 8 -8.028 0.123 -1.895
64 HA TYR 8 HA TYR 8 -9.142 0.065 -4.565
65 HB2 TYR 8 2HB TYR 8 -8.574 -2.175 -5.083
66 HB3 TYR 8 1HB TYR 8 -7.091 -1.505 -4.422
67 HD1 TYR 8 1HD TYR 8 -9.391 -4.156 -4.280
68 HD2 TYR 8 2HD TYR 8 -6.656 -1.976 -1.920
69 HE1 TYR 8 1HE TYR 8 -9.273 -6.047 -2.741
70 HE2 TYR 8 2HE TYR 8 -6.503 -3.880 -0.330
71 HH TYR 8 HH TYR 8 -7.853 -5.822 0.324
72 H ARG 9 HN ARG 9 -11.230 -0.473 -4.504
73 HA ARG 9 HA ARG 9 -13.296 -1.098 -3.772
74 HB2 ARG 9 2HB ARG 9 -12.015 -3.263 -3.401
75 HB3 ARG 9 1HB ARG 9 -11.844 -2.787 -1.726
76 HG2 ARG 9 2HG ARG 9 -14.275 -2.863 -1.460
77 HG3 ARG 9 1HG ARG 9 -14.446 -3.335 -3.152
78 HD2 ARG 9 2HD ARG 9 -13.043 -4.868 -0.968
79 HD3 ARG 9 1HD ARG 9 -14.535 -5.319 -1.794
80 HE ARG 9 HE ARG 9 -12.827 -5.117 -3.810
81 HH11 ARG 9 1HH1 ARG 9 -12.679 -6.911 -0.750
82 HH12 ARG 9 2HH1 ARG 9 -11.577 -8.074 -1.310
83 HH21 ARG 9 1HH2 ARG 9 -11.259 -6.691 -4.571
84 HH22 ARG 9 2HH2 ARG 9 -10.781 -7.973 -3.567
85 H GLY 10 HN GLY 10 -11.605 1.058 -2.426
86 HA2 GLY 10 2HA GLY 10 -12.304 2.760 -1.000
87 HA3 GLY 10 1HA GLY 10 -13.523 1.675 -0.342
88 H ILE 11 HN ILE 11 -10.481 0.237 -0.562
89 HA ILE 11 HA ILE 11 -9.962 0.756 2.279
90 HB ILE 11 HB ILE 11 -9.245 -1.674 0.611
91 HG12 ILE 11 2HG1 ILE 11 -11.612 -1.633 1.181
92 HG13 ILE 11 1HG1 ILE 11 -10.790 -2.891 2.093
93 HG21 ILE 11 1HG2 ILE 11 -8.710 -1.148 3.537
94 HG22 ILE 11 2HG2 ILE 11 -7.504 -1.229 2.254
95 HG23 ILE 11 3HG2 ILE 11 -8.415 -2.672 2.702
96 HD11 ILE 11 1HD1 ILE 11 -11.599 -0.186 3.135
97 HD12 ILE 11 2HD1 ILE 11 -10.751 -1.424 4.050
98 HD13 ILE 11 3HD1 ILE 11 -12.400 -1.723 3.481
99 H CYS 12 HN CYS 12 -8.279 1.939 2.630
100 HA CYS 12 HA CYS 12 -6.142 2.064 0.637
101 HB2 CYS 12 2HB CYS 12 -7.132 4.017 2.670
102 HB3 CYS 12 1HB CYS 12 -5.607 4.246 1.805
103 H TYR 13 HN TYR 13 -4.265 1.251 1.194
104 HA TYR 13 HA TYR 13 -3.468 1.216 3.988
105 HB2 TYR 13 2HB TYR 13 -2.784 -1.143 3.869
106 HB3 TYR 13 1HB TYR 13 -4.512 -0.995 3.591
107 HD1 TYR 13 1HD TYR 13 -5.329 -1.114 1.144
108 HD2 TYR 13 2HD TYR 13 -1.414 -2.253 2.336
109 HE1 TYR 13 1HE TYR 13 -5.076 -2.419 -0.920
110 HE2 TYR 13 2HE TYR 13 -1.161 -3.553 0.271
111 HH TYR 13 HH TYR 13 -3.254 -3.283 -2.352
112 H ARG 14 HN ARG 14 -1.122 0.772 4.153
113 HA ARG 14 HA ARG 14 0.296 1.365 1.676
114 HB2 ARG 14 2HB ARG 14 0.178 3.455 2.894
115 HB3 ARG 14 1HB ARG 14 0.730 2.674 4.366
116 HG2 ARG 14 2HG ARG 14 2.920 2.307 3.382
117 HG3 ARG 14 1HG ARG 14 2.368 2.988 1.853
118 HD2 ARG 14 2HD ARG 14 2.431 4.476 4.471
119 HD3 ARG 14 1HD ARG 14 3.686 4.580 3.242
120 HE ARG 14 HE ARG 14 1.998 5.498 1.747
121 HH11 ARG 14 1HH1 ARG 14 1.386 5.695 5.237
122 HH12 ARG 14 2HH1 ARG 14 0.301 6.988 5.124
123 HH21 ARG 14 1HH2 ARG 14 0.540 7.319 1.572
124 HH22 ARG 14 2HH2 ARG 14 -0.207 7.915 2.973
125 H LYS 15 HN LYS 15 1.913 0.082 1.294
126 HA LYS 15 HA LYS 15 2.769 -1.747 3.438
127 HB2 LYS 15 2HB LYS 15 2.908 -2.105 0.438
128 HB3 LYS 15 1HB LYS 15 3.435 -3.276 1.632
129 HG2 LYS 15 2HG LYS 15 0.598 -2.326 1.300
130 HG3 LYS 15 1HG LYS 15 1.250 -3.797 0.582
131 HD2 LYS 15 2HD LYS 15 1.197 -3.233 3.553
132 HD3 LYS 15 1HD LYS 15 -0.040 -4.149 2.702
133 HE2 LYS 15 2HE LYS 15 2.892 -4.880 2.867
134 HE3 LYS 15 1HE LYS 15 1.591 -5.625 3.784
135 HZ1 LYS 15 1HZ LYS 15 2.165 -6.967 1.890
136 HZ2 LYS 15 2HZ LYS 15 1.908 -5.707 0.829
137 HZ3 LYS 15 3HZ LYS 15 0.606 -6.366 1.677
138 H CYS 16 HN CYS 16 4.884 -1.730 3.957
139 HA CYS 16 HA CYS 16 6.662 -0.158 2.249
140 HB2 CYS 16 2HB CYS 16 6.854 -0.775 5.210
141 HB3 CYS 16 1HB CYS 16 8.112 0.032 4.280
142 H ARG 17 HN ARG 17 7.988 -1.289 1.096
143 HA ARG 17 HA ARG 17 8.949 -3.822 2.163
144 HB2 ARG 17 2HB ARG 17 7.163 -4.299 0.558
145 HB3 ARG 17 1HB ARG 17 7.984 -3.325 -0.651
146 HG2 ARG 17 2HG ARG 17 9.830 -4.883 -0.701
147 HG3 ARG 17 1HG ARG 17 9.086 -5.820 0.595
148 HD2 ARG 17 2HD ARG 17 8.706 -6.798 -1.625
149 HD3 ARG 17 1HD ARG 17 7.210 -6.366 -0.801
150 HE ARG 17 HE ARG 17 8.079 -4.254 -2.456
151 HH11 ARG 17 1HH1 ARG 17 6.632 -7.480 -2.703
152 HH12 ARG 17 2HH1 ARG 17 5.740 -7.130 -4.100
153 HH21 ARG 17 1HH2 ARG 17 6.879 -3.767 -4.362
154 HH22 ARG 17 2HH2 ARG 17 5.913 -4.948 -5.107
155 H GLY 18 HN GLY 18 11.071 -3.846 2.213
156 HA2 GLY 18 2HA GLY 18 13.256 -3.423 1.679
157 HA3 GLY 18 1HA GLY 18 12.705 -2.783 0.132
Start of MODEL 12
1 H1 ARG 1 HN ARG 1 12.894 0.292 1.428
2 HA ARG 1 HA ARG 1 11.640 2.271 3.215
3 HB2 ARG 1 2HB ARG 1 13.047 3.956 2.154
4 HB3 ARG 1 1HB ARG 1 14.030 2.647 2.795
5 HG2 ARG 1 2HG ARG 1 14.132 1.693 0.497
6 HG3 ARG 1 1HG ARG 1 13.306 3.141 -0.072
7 HD2 ARG 1 2HD ARG 1 15.120 4.517 0.839
8 HD3 ARG 1 1HD ARG 1 15.960 3.055 1.351
9 HE ARG 1 HE ARG 1 15.271 3.533 -1.447
10 HH11 ARG 1 1HH1 ARG 1 17.716 2.735 1.002
11 HH12 ARG 1 2HH1 ARG 1 18.993 2.580 -0.107
12 HH21 ARG 1 1HH2 ARG 1 17.044 3.327 -2.994
13 HH22 ARG 1 2HH2 ARG 1 18.596 2.943 -2.454
14 H TRP 2 HN TRP 2 11.019 0.518 0.551
15 HA TRP 2 HA TRP 2 9.695 2.596 -1.014
16 HB2 TRP 2 2HB TRP 2 10.975 0.820 -2.173
17 HB3 TRP 2 1HB TRP 2 9.919 -0.389 -1.457
18 HD1 TRP 2 1HD TRP 2 7.286 -0.179 -2.223
19 HE1 TRP 2 1HE TRP 2 6.307 0.380 -4.573
20 HE3 TRP 2 3HE TRP 2 11.359 2.073 -4.242
21 HZ2 TRP 2 2HZ TRP 2 7.198 1.616 -6.950
22 HZ3 TRP 2 3HZ TRP 2 11.238 2.906 -6.544
23 HH2 TRP 2 2HH TRP 2 9.201 2.686 -7.869
24 H CYS 3 HN CYS 3 7.836 3.238 -0.202
25 HA CYS 3 HA CYS 3 5.963 1.185 0.724
26 HB2 CYS 3 2HB CYS 3 6.319 4.022 1.687
27 HB3 CYS 3 1HB CYS 3 4.960 2.986 2.109
28 H PHE 4 HN PHE 4 4.303 0.972 -0.608
29 HA PHE 4 HA PHE 4 3.415 3.369 -2.023
30 HB2 PHE 4 2HB PHE 4 2.801 2.025 -3.984
31 HB3 PHE 4 1HB PHE 4 4.508 1.838 -3.631
32 HD1 PHE 4 1HD PHE 4 1.399 0.192 -4.189
33 HD2 PHE 4 2HD PHE 4 5.231 -0.288 -2.411
34 HE1 PHE 4 1HE PHE 4 1.104 -2.240 -4.223
35 HE2 PHE 4 2HE PHE 4 4.939 -2.731 -2.444
36 HZ PHE 4 HZ PHE 4 2.864 -3.703 -3.350
37 H ARG 5 HN ARG 5 1.288 3.714 -2.171
38 HA ARG 5 HA ARG 5 -0.342 2.245 -0.241
39 HB2 ARG 5 2HB ARG 5 -0.035 4.603 0.154
40 HB3 ARG 5 1HB ARG 5 -0.570 4.978 -1.471
41 HG2 ARG 5 2HG ARG 5 -2.824 4.241 -0.904
42 HG3 ARG 5 1HG ARG 5 -2.280 3.819 0.728
43 HD2 ARG 5 2HD ARG 5 -1.623 6.109 1.129
44 HD3 ARG 5 1HD ARG 5 -2.067 6.547 -0.510
45 HE ARG 5 HE ARG 5 -4.378 5.879 0.186
46 HH11 ARG 5 1HH1 ARG 5 -2.014 7.081 2.549
47 HH12 ARG 5 2HH1 ARG 5 -3.133 7.934 3.497
48 HH21 ARG 5 1HH2 ARG 5 -5.960 7.078 1.518
49 HH22 ARG 5 2HH2 ARG 5 -5.441 7.909 2.896
50 H VAL 6 HN VAL 6 -1.924 1.016 -0.908
51 HA VAL 6 HA VAL 6 -2.950 1.298 -3.651
52 HB VAL 6 HB VAL 6 -2.970 -1.192 -1.911
53 HG11 VAL 6 1HG1 VAL 6 -3.656 -2.367 -3.946
54 HG12 VAL 6 2HG1 VAL 6 -3.673 -0.841 -4.824
55 HG13 VAL 6 3HG1 VAL 6 -4.814 -1.109 -3.505
56 HG21 VAL 6 1HG2 VAL 6 -1.186 -0.542 -4.254
57 HG22 VAL 6 2HG2 VAL 6 -1.278 -2.106 -3.441
58 HG23 VAL 6 3HG2 VAL 6 -0.687 -0.692 -2.569
59 H CYS 7 HN CYS 7 -4.975 2.003 -3.685
60 HA CYS 7 HA CYS 7 -6.636 1.546 -1.326
61 HB2 CYS 7 2HB CYS 7 -6.799 3.803 -3.345
62 HB3 CYS 7 1HB CYS 7 -7.897 3.532 -1.990
63 H TYR 8 HN TYR 8 -8.139 0.117 -1.628
64 HA TYR 8 HA TYR 8 -9.403 -0.022 -4.245
65 HB2 TYR 8 2HB TYR 8 -9.303 -2.429 -4.339
66 HB3 TYR 8 1HB TYR 8 -7.676 -1.844 -4.037
67 HD1 TYR 8 1HD TYR 8 -7.153 -1.702 -1.348
68 HD2 TYR 8 2HD TYR 8 -9.930 -4.314 -3.207
69 HE1 TYR 8 1HE TYR 8 -6.991 -3.233 0.565
70 HE2 TYR 8 2HE TYR 8 -9.784 -5.845 -1.307
71 HH TYR 8 HH TYR 8 -8.131 -6.378 0.493
72 H ARG 9 HN ARG 9 -11.556 0.045 -4.088
73 HA ARG 9 HA ARG 9 -13.647 0.110 -3.234
74 HB2 ARG 9 2HB ARG 9 -12.572 -2.147 -1.509
75 HB3 ARG 9 1HB ARG 9 -14.242 -1.625 -1.425
76 HG2 ARG 9 2HG ARG 9 -14.076 -3.622 -2.789
77 HG3 ARG 9 1HG ARG 9 -14.527 -2.264 -3.813
78 HD2 ARG 9 2HD ARG 9 -12.214 -2.077 -4.571
79 HD3 ARG 9 1HD ARG 9 -11.751 -3.406 -3.516
80 HE ARG 9 HE ARG 9 -13.691 -4.481 -5.058
81 HH11 ARG 9 1HH1 ARG 9 -10.751 -2.713 -5.889
82 HH12 ARG 9 2HH1 ARG 9 -10.443 -3.617 -7.301
83 HH21 ARG 9 1HH2 ARG 9 -13.277 -5.697 -7.043
84 HH22 ARG 9 2HH2 ARG 9 -11.913 -5.342 -7.986
85 H GLY 10 HN GLY 10 -11.431 1.709 -2.005
86 HA2 GLY 10 2HA GLY 10 -11.789 3.576 -0.582
87 HA3 GLY 10 1HA GLY 10 -12.949 2.621 0.326
88 H ILE 11 HN ILE 11 -10.644 0.454 -0.020
89 HA ILE 11 HA ILE 11 -9.517 1.069 2.598
90 HB ILE 11 HB ILE 11 -9.362 -1.473 0.945
91 HG12 ILE 11 2HG1 ILE 11 -11.616 -1.059 1.788
92 HG13 ILE 11 1HG1 ILE 11 -10.878 -2.402 2.662
93 HG21 ILE 11 1HG2 ILE 11 -8.441 -2.540 2.959
94 HG22 ILE 11 2HG2 ILE 11 -8.401 -0.970 3.763
95 HG23 ILE 11 3HG2 ILE 11 -7.389 -1.260 2.351
96 HD11 ILE 11 1HD1 ILE 11 -10.394 -0.895 4.534
97 HD12 ILE 11 2HD1 ILE 11 -12.120 -0.954 4.175
98 HD13 ILE 11 3HD1 ILE 11 -11.155 0.434 3.661
99 H CYS 12 HN CYS 12 -7.709 2.027 2.768
100 HA CYS 12 HA CYS 12 -5.797 1.855 0.556
101 HB2 CYS 12 2HB CYS 12 -6.212 3.947 2.642
102 HB3 CYS 12 1HB CYS 12 -4.842 3.892 1.514
103 H TYR 13 HN TYR 13 -4.301 0.491 0.993
104 HA TYR 13 HA TYR 13 -3.175 0.515 3.692
105 HB2 TYR 13 2HB TYR 13 -2.615 -1.866 3.502
106 HB3 TYR 13 1HB TYR 13 -4.342 -1.631 3.320
107 HD1 TYR 13 1HD TYR 13 -1.338 -2.945 1.855
108 HD2 TYR 13 2HD TYR 13 -5.325 -1.761 0.977
109 HE1 TYR 13 1HE TYR 13 -1.271 -4.264 -0.202
110 HE2 TYR 13 2HE TYR 13 -5.265 -3.082 -1.079
111 HH TYR 13 HH TYR 13 -3.460 -4.015 -2.688
112 H ARG 14 HN ARG 14 -0.848 -0.069 3.704
113 HA ARG 14 HA ARG 14 0.366 0.869 1.217
114 HB2 ARG 14 2HB ARG 14 0.188 2.681 2.868
115 HB3 ARG 14 1HB ARG 14 1.088 1.707 4.016
116 HG2 ARG 14 2HG ARG 14 3.023 1.747 2.538
117 HG3 ARG 14 1HG ARG 14 2.118 2.733 1.385
118 HD2 ARG 14 2HD ARG 14 3.518 4.169 2.749
119 HD3 ARG 14 1HD ARG 14 1.815 4.430 3.107
120 HE ARG 14 HE ARG 14 2.345 2.733 5.005
121 HH11 ARG 14 1HH1 ARG 14 4.421 5.406 3.927
122 HH12 ARG 14 2HH1 ARG 14 5.129 5.617 5.447
123 HH21 ARG 14 1HH2 ARG 14 3.325 3.034 7.039
124 HH22 ARG 14 2HH2 ARG 14 4.507 4.226 7.275
125 H LYS 15 HN LYS 15 1.830 -0.451 0.523
126 HA LYS 15 HA LYS 15 2.821 -2.510 2.351
127 HB2 LYS 15 2HB LYS 15 2.925 -2.410 -0.671
128 HB3 LYS 15 1HB LYS 15 3.529 -3.730 0.318
129 HG2 LYS 15 2HG LYS 15 0.658 -2.838 0.063
130 HG3 LYS 15 1HG LYS 15 1.376 -4.266 -0.675
131 HD2 LYS 15 2HD LYS 15 1.177 -3.773 2.300
132 HD3 LYS 15 1HD LYS 15 0.053 -4.754 1.374
133 HE2 LYS 15 2HE LYS 15 1.849 -6.286 0.780
134 HE3 LYS 15 1HE LYS 15 3.003 -5.276 1.650
135 HZ1 LYS 15 1HZ LYS 15 0.658 -6.546 2.931
136 HZ2 LYS 15 2HZ LYS 15 1.975 -5.836 3.719
137 HZ3 LYS 15 3HZ LYS 15 2.165 -7.272 2.861
138 H CYS 16 HN CYS 16 4.799 -2.417 3.059
139 HA CYS 16 HA CYS 16 6.625 -0.564 1.745
140 HB2 CYS 16 2HB CYS 16 6.342 -1.244 4.660
141 HB3 CYS 16 1HB CYS 16 7.695 -0.338 3.990
142 H ARG 17 HN ARG 17 8.207 -1.432 0.804
143 HA ARG 17 HA ARG 17 9.434 -3.860 1.892
144 HB2 ARG 17 2HB ARG 17 9.299 -2.866 -0.968
145 HB3 ARG 17 1HB ARG 17 10.377 -4.149 -0.445
146 HG2 ARG 17 2HG ARG 17 7.372 -4.224 -0.258
147 HG3 ARG 17 1HG ARG 17 8.334 -4.995 -1.520
148 HD2 ARG 17 2HD ARG 17 9.477 -6.338 0.213
149 HD3 ARG 17 1HD ARG 17 8.452 -5.589 1.437
150 HE ARG 17 HE ARG 17 6.889 -6.743 -0.589
151 HH11 ARG 17 1HH1 ARG 17 8.826 -7.620 2.241
152 HH12 ARG 17 2HH1 ARG 17 8.006 -9.072 2.543
153 HH21 ARG 17 1HH2 ARG 17 5.739 -8.760 -0.162
154 HH22 ARG 17 2HH2 ARG 17 6.214 -9.723 1.158
155 H GLY 18 HN GLY 18 10.862 -2.995 3.195
156 HA2 GLY 18 2HA GLY 18 12.816 -2.009 3.827
157 HA3 GLY 18 1HA GLY 18 13.139 -1.664 2.128
Start of MODEL 13
1 H1 ARG 1 HN ARG 1 11.171 -1.575 2.657
2 HA ARG 1 HA ARG 1 11.137 0.416 3.644
3 HB2 ARG 1 2HB ARG 1 13.563 0.563 3.544
4 HB3 ARG 1 1HB ARG 1 13.493 1.121 1.876
5 HG2 ARG 1 2HG ARG 1 12.383 3.166 2.599
6 HG3 ARG 1 1HG ARG 1 12.433 2.607 4.267
7 HD2 ARG 1 2HD ARG 1 14.865 3.049 2.555
8 HD3 ARG 1 1HD ARG 1 14.186 4.248 3.654
9 HE ARG 1 HE ARG 1 14.659 1.840 5.017
10 HH11 ARG 1 1HH1 ARG 1 16.303 4.664 3.675
11 HH12 ARG 1 2HH1 ARG 1 17.655 4.556 4.682
12 HH21 ARG 1 1HH2 ARG 1 16.544 1.688 6.449
13 HH22 ARG 1 2HH2 ARG 1 17.790 2.835 6.287
14 H TRP 2 HN TRP 2 11.136 0.401 0.213
15 HA TRP 2 HA TRP 2 9.918 2.865 -0.286
16 HB2 TRP 2 2HB TRP 2 10.902 1.613 -2.104
17 HB3 TRP 2 1HB TRP 2 9.838 0.253 -1.793
18 HD1 TRP 2 1HD TRP 2 8.875 3.968 -2.321
19 HE1 TRP 2 1HE TRP 2 7.154 4.070 -4.255
20 HE3 TRP 2 3HE TRP 2 8.832 -0.963 -3.627
21 HZ2 TRP 2 2HZ TRP 2 5.969 2.295 -6.086
22 HZ3 TRP 2 3HZ TRP 2 7.387 -1.685 -5.478
23 HH2 TRP 2 2HH TRP 2 5.983 -0.082 -6.683
24 H CYS 3 HN CYS 3 8.072 3.546 0.402
25 HA CYS 3 HA CYS 3 5.991 1.598 1.045
26 HB2 CYS 3 2HB CYS 3 6.467 4.344 2.185
27 HB3 CYS 3 1HB CYS 3 5.125 3.288 2.599
28 H PHE 4 HN PHE 4 4.178 1.704 0.021
29 HA PHE 4 HA PHE 4 3.506 4.131 -1.389
30 HB2 PHE 4 2HB PHE 4 2.751 2.697 -3.342
31 HB3 PHE 4 1HB PHE 4 4.491 2.809 -3.124
32 HD1 PHE 4 1HD PHE 4 1.620 0.622 -3.219
33 HD2 PHE 4 2HD PHE 4 5.734 0.869 -2.189
34 HE1 PHE 4 1HE PHE 4 1.771 -1.832 -3.232
35 HE2 PHE 4 2HE PHE 4 5.893 -1.570 -2.194
36 HZ PHE 4 HZ PHE 4 3.903 -2.934 -2.718
37 H ARG 5 HN ARG 5 1.269 4.283 -1.863
38 HA ARG 5 HA ARG 5 -0.322 2.980 0.215
39 HB2 ARG 5 2HB ARG 5 -0.358 5.428 0.186
40 HB3 ARG 5 1HB ARG 5 -0.870 5.409 -1.493
41 HG2 ARG 5 2HG ARG 5 -2.975 4.358 -0.852
42 HG3 ARG 5 1HG ARG 5 -2.472 4.359 0.836
43 HD2 ARG 5 2HD ARG 5 -3.974 6.227 0.346
44 HD3 ARG 5 1HD ARG 5 -2.373 6.802 0.811
45 HE ARG 5 HE ARG 5 -2.005 6.952 -1.702
46 HH11 ARG 5 1HH1 ARG 5 -5.143 7.586 -0.177
47 HH12 ARG 5 2HH1 ARG 5 -5.682 8.597 -1.428
48 HH21 ARG 5 1HH2 ARG 5 -2.748 8.357 -3.366
49 HH22 ARG 5 2HH2 ARG 5 -4.299 9.060 -3.275
50 H VAL 6 HN VAL 6 -1.603 1.389 -0.349
51 HA VAL 6 HA VAL 6 -2.327 1.093 -3.185
52 HB VAL 6 HB VAL 6 -2.507 -0.998 -1.003
53 HG11 VAL 6 1HG1 VAL 6 -2.677 -2.583 -2.872
54 HG12 VAL 6 2HG1 VAL 6 -2.671 -1.226 -3.999
55 HG13 VAL 6 3HG1 VAL 6 -3.998 -1.414 -2.854
56 HG21 VAL 6 1HG2 VAL 6 -0.338 -0.650 -3.063
57 HG22 VAL 6 2HG2 VAL 6 -0.497 -2.016 -1.959
58 HG23 VAL 6 3HG2 VAL 6 -0.170 -0.402 -1.327
59 H CYS 7 HN CYS 7 -4.405 1.463 -3.679
60 HA CYS 7 HA CYS 7 -6.347 1.364 -1.495
61 HB2 CYS 7 2HB CYS 7 -6.377 3.161 -3.932
62 HB3 CYS 7 1HB CYS 7 -7.660 3.026 -2.729
63 H TYR 8 HN TYR 8 -7.710 -0.223 -1.707
64 HA TYR 8 HA TYR 8 -8.730 -0.846 -4.349
65 HB2 TYR 8 2HB TYR 8 -8.303 -3.195 -4.207
66 HB3 TYR 8 1HB TYR 8 -6.789 -2.437 -3.734
67 HD1 TYR 8 1HD TYR 8 -6.513 -2.119 -1.107
68 HD2 TYR 8 2HD TYR 8 -9.107 -4.908 -2.963
69 HE1 TYR 8 1HE TYR 8 -6.504 -3.478 0.942
70 HE2 TYR 8 2HE TYR 8 -9.125 -6.266 -0.945
71 HH TYR 8 HH TYR 8 -7.651 -6.646 1.018
72 H ARG 9 HN ARG 9 -10.873 -1.170 -4.258
73 HA ARG 9 HA ARG 9 -13.015 -1.322 -3.481
74 HB2 ARG 9 2HB ARG 9 -11.725 -2.782 -1.163
75 HB3 ARG 9 1HB ARG 9 -13.440 -2.775 -1.538
76 HG2 ARG 9 2HG ARG 9 -11.311 -3.848 -3.381
77 HG3 ARG 9 1HG ARG 9 -12.226 -4.835 -2.245
78 HD2 ARG 9 2HD ARG 9 -13.423 -3.185 -4.476
79 HD3 ARG 9 1HD ARG 9 -13.138 -4.924 -4.533
80 HE ARG 9 HE ARG 9 -14.705 -4.080 -2.290
81 HH11 ARG 9 1HH1 ARG 9 -14.882 -5.032 -5.678
82 HH12 ARG 9 2HH1 ARG 9 -16.477 -5.603 -5.584
83 HH21 ARG 9 1HH2 ARG 9 -16.909 -4.856 -2.149
84 HH22 ARG 9 2HH2 ARG 9 -17.675 -5.475 -3.531
85 H GLY 10 HN GLY 10 -11.018 0.809 -2.333
86 HA2 GLY 10 2HA GLY 10 -11.751 2.834 -1.280
87 HA3 GLY 10 1HA GLY 10 -12.903 1.882 -0.350
88 H ILE 11 HN ILE 11 -10.225 0.081 -0.332
89 HA ILE 11 HA ILE 11 -9.480 1.119 2.280
90 HB ILE 11 HB ILE 11 -9.025 -1.611 1.042
91 HG12 ILE 11 2HG1 ILE 11 -11.335 -1.269 1.696
92 HG13 ILE 11 1HG1 ILE 11 -10.573 -2.387 2.820
93 HG21 ILE 11 1HG2 ILE 11 -7.150 -1.038 2.513
94 HG22 ILE 11 2HG2 ILE 11 -8.136 -2.322 3.212
95 HG23 ILE 11 3HG2 ILE 11 -8.282 -0.673 3.818
96 HD11 ILE 11 1HD1 ILE 11 -10.312 -0.549 4.436
97 HD12 ILE 11 2HD1 ILE 11 -11.999 -0.828 4.006
98 HD13 ILE 11 3HD1 ILE 11 -11.126 0.539 3.313
99 H CYS 12 HN CYS 12 -7.909 2.431 2.227
100 HA CYS 12 HA CYS 12 -5.680 2.038 0.384
101 HB2 CYS 12 2HB CYS 12 -6.559 4.411 1.990
102 HB3 CYS 12 1HB CYS 12 -5.090 4.347 0.999
103 H TYR 13 HN TYR 13 -4.038 1.058 1.213
104 HA TYR 13 HA TYR 13 -3.408 1.559 4.019
105 HB2 TYR 13 2HB TYR 13 -2.666 -0.767 4.314
106 HB3 TYR 13 1HB TYR 13 -4.365 -0.687 3.888
107 HD1 TYR 13 1HD TYR 13 -5.042 -1.321 1.526
108 HD2 TYR 13 2HD TYR 13 -1.120 -1.997 3.025
109 HE1 TYR 13 1HE TYR 13 -4.657 -2.975 -0.234
110 HE2 TYR 13 2HE TYR 13 -0.725 -3.650 1.264
111 HH TYR 13 HH TYR 13 -2.849 -4.039 -1.392
112 H ARG 14 HN ARG 14 -1.243 1.477 4.574
113 HA ARG 14 HA ARG 14 0.501 2.354 2.431
114 HB2 ARG 14 2HB ARG 14 0.227 3.549 4.669
115 HB3 ARG 14 1HB ARG 14 1.047 2.184 5.396
116 HG2 ARG 14 2HG ARG 14 2.608 3.977 5.088
117 HG3 ARG 14 1HG ARG 14 3.019 2.665 3.979
118 HD2 ARG 14 2HD ARG 14 1.976 3.832 2.137
119 HD3 ARG 14 1HD ARG 14 1.389 5.085 3.229
120 HE ARG 14 HE ARG 14 4.103 4.997 3.528
121 HH11 ARG 14 1HH1 ARG 14 1.806 5.741 0.951
122 HH12 ARG 14 2HH1 ARG 14 2.808 6.849 0.139
123 HH21 ARG 14 1HH2 ARG 14 5.541 6.517 2.387
124 HH22 ARG 14 2HH2 ARG 14 5.019 7.266 0.963
125 H LYS 15 HN LYS 15 1.545 0.723 1.411
126 HA LYS 15 HA LYS 15 2.370 -1.545 3.052
127 HB2 LYS 15 2HB LYS 15 0.774 -1.996 1.143
128 HB3 LYS 15 1HB LYS 15 2.046 -1.486 0.045
129 HG2 LYS 15 2HG LYS 15 1.927 -3.917 0.204
130 HG3 LYS 15 1HG LYS 15 3.468 -3.313 0.820
131 HD2 LYS 15 2HD LYS 15 2.656 -3.501 3.106
132 HD3 LYS 15 1HD LYS 15 1.080 -4.044 2.525
133 HE2 LYS 15 2HE LYS 15 2.132 -6.034 1.593
134 HE3 LYS 15 1HE LYS 15 3.707 -5.452 2.124
135 HZ1 LYS 15 1HZ LYS 15 2.754 -7.097 3.641
136 HZ2 LYS 15 2HZ LYS 15 1.452 -6.082 3.968
137 HZ3 LYS 15 3HZ LYS 15 3.018 -5.624 4.390
138 H CYS 16 HN CYS 16 4.523 -1.851 3.297
139 HA CYS 16 HA CYS 16 6.279 -0.255 1.582
140 HB2 CYS 16 2HB CYS 16 6.798 -1.197 4.406
141 HB3 CYS 16 1HB CYS 16 7.842 -0.185 3.424
142 H ARG 17 HN ARG 17 7.644 -1.268 0.387
143 HA ARG 17 HA ARG 17 8.418 -4.011 1.057
144 HB2 ARG 17 2HB ARG 17 7.740 -2.953 -1.704
145 HB3 ARG 17 1HB ARG 17 8.413 -4.537 -1.371
146 HG2 ARG 17 2HG ARG 17 6.368 -5.137 -0.139
147 HG3 ARG 17 1HG ARG 17 5.703 -3.544 -0.499
148 HD2 ARG 17 2HD ARG 17 5.883 -4.019 -2.895
149 HD3 ARG 17 1HD ARG 17 6.522 -5.617 -2.519
150 HE ARG 17 HE ARG 17 4.219 -5.682 -1.222
151 HH11 ARG 17 1HH1 ARG 17 4.971 -4.718 -4.552
152 HH12 ARG 17 2HH1 ARG 17 3.445 -5.133 -5.182
153 HH21 ARG 17 1HH2 ARG 17 2.078 -6.294 -2.116
154 HH22 ARG 17 2HH2 ARG 17 1.778 -6.066 -3.764
155 H GLY 18 HN GLY 18 10.514 -3.840 1.528
156 HA2 GLY 18 2HA GLY 18 12.757 -3.324 1.338
157 HA3 GLY 18 1HA GLY 18 12.432 -2.889 -0.334
Start of MODEL 14
1 H1 ARG 1 HN ARG 1 12.749 -0.439 0.929
2 HA ARG 1 HA ARG 1 11.850 0.905 3.385
3 HB2 ARG 1 2HB ARG 1 13.484 2.696 2.862
4 HB3 ARG 1 1HB ARG 1 14.253 1.138 3.123
5 HG2 ARG 1 2HG ARG 1 14.658 0.860 0.794
6 HG3 ARG 1 1HG ARG 1 13.637 2.240 0.395
7 HD2 ARG 1 2HD ARG 1 16.189 2.402 2.000
8 HD3 ARG 1 1HD ARG 1 16.075 2.730 0.271
9 HE ARG 1 HE ARG 1 14.358 4.258 2.073
10 HH11 ARG 1 1HH1 ARG 1 17.245 4.263 0.023
11 HH12 ARG 1 2HH1 ARG 1 17.327 5.960 -0.086
12 HH21 ARG 1 1HH2 ARG 1 14.463 6.580 1.890
13 HH22 ARG 1 2HH2 ARG 1 15.711 7.296 0.973
14 H TRP 2 HN TRP 2 10.911 0.308 0.373
15 HA TRP 2 HA TRP 2 9.969 3.012 -0.253
16 HB2 TRP 2 2HB TRP 2 11.061 1.478 -1.979
17 HB3 TRP 2 1HB TRP 2 9.615 0.496 -1.842
18 HD1 TRP 2 1HD TRP 2 7.301 1.614 -2.645
19 HE1 TRP 2 1HE TRP 2 6.832 3.378 -4.494
20 HE3 TRP 2 3HE TRP 2 11.984 3.541 -3.095
21 HZ2 TRP 2 2HZ TRP 2 8.285 5.331 -5.916
22 HZ3 TRP 2 3HZ TRP 2 12.374 5.355 -4.708
23 HH2 TRP 2 2HH TRP 2 10.563 6.227 -6.088
24 H CYS 3 HN CYS 3 8.053 3.593 0.439
25 HA CYS 3 HA CYS 3 6.076 1.512 0.965
26 HB2 CYS 3 2HB CYS 3 6.305 4.307 2.090
27 HB3 CYS 3 1HB CYS 3 5.027 3.156 2.455
28 H PHE 4 HN PHE 4 4.295 1.447 -0.204
29 HA PHE 4 HA PHE 4 3.556 3.803 -1.733
30 HB2 PHE 4 2HB PHE 4 2.931 2.296 -3.650
31 HB3 PHE 4 1HB PHE 4 4.652 2.372 -3.338
32 HD1 PHE 4 1HD PHE 4 5.806 0.403 -2.326
33 HD2 PHE 4 2HD PHE 4 1.718 0.258 -3.482
34 HE1 PHE 4 1HE PHE 4 5.893 -2.048 -2.296
35 HE2 PHE 4 2HE PHE 4 1.794 -2.198 -3.440
36 HZ PHE 4 HZ PHE 4 3.881 -3.358 -2.850
37 H ARG 5 HN ARG 5 1.409 4.184 -1.921
38 HA ARG 5 HA ARG 5 -0.271 2.660 -0.071
39 HB2 ARG 5 2HB ARG 5 -0.098 5.068 0.336
40 HB3 ARG 5 1HB ARG 5 -0.673 5.398 -1.290
41 HG2 ARG 5 2HG ARG 5 -2.825 4.336 -0.705
42 HG3 ARG 5 1HG ARG 5 -2.230 4.096 0.939
43 HD2 ARG 5 2HD ARG 5 -3.626 6.084 0.813
44 HD3 ARG 5 1HD ARG 5 -1.962 6.526 1.186
45 HE ARG 5 HE ARG 5 -2.322 6.623 -1.578
46 HH11 ARG 5 1HH1 ARG 5 -3.384 8.416 1.300
47 HH12 ARG 5 2HH1 ARG 5 -3.610 9.877 0.455
48 HH21 ARG 5 1HH2 ARG 5 -2.679 8.709 -2.720
49 HH22 ARG 5 2HH2 ARG 5 -3.234 10.021 -1.799
50 H VAL 6 HN VAL 6 -1.623 1.252 -0.867
51 HA VAL 6 HA VAL 6 -2.652 1.641 -3.588
52 HB VAL 6 HB VAL 6 -2.446 -0.964 -2.032
53 HG11 VAL 6 1HG1 VAL 6 -3.003 -2.054 -4.154
54 HG12 VAL 6 2HG1 VAL 6 -3.183 -0.476 -4.917
55 HG13 VAL 6 3HG1 VAL 6 -4.287 -0.961 -3.631
56 HG21 VAL 6 1HG2 VAL 6 -0.741 0.031 -4.310
57 HG22 VAL 6 2HG2 VAL 6 -0.672 -1.587 -3.608
58 HG23 VAL 6 3HG2 VAL 6 -0.232 -0.180 -2.634
59 H CYS 7 HN CYS 7 -4.845 1.659 -3.811
60 HA CYS 7 HA CYS 7 -6.444 1.225 -1.401
61 HB2 CYS 7 2HB CYS 7 -6.867 3.286 -3.575
62 HB3 CYS 7 1HB CYS 7 -7.984 2.943 -2.260
63 H TYR 8 HN TYR 8 -7.875 -0.301 -1.582
64 HA TYR 8 HA TYR 8 -8.986 -0.798 -4.214
65 HB2 TYR 8 2HB TYR 8 -8.860 -3.197 -3.969
66 HB3 TYR 8 1HB TYR 8 -7.262 -2.522 -3.700
67 HD1 TYR 8 1HD TYR 8 -9.706 -4.752 -2.497
68 HD2 TYR 8 2HD TYR 8 -6.619 -2.164 -1.201
69 HE1 TYR 8 1HE TYR 8 -9.569 -6.001 -0.398
70 HE2 TYR 8 2HE TYR 8 -6.452 -3.414 0.916
71 HH TYR 8 HH TYR 8 -7.697 -6.384 1.370
72 H ARG 9 HN ARG 9 -11.000 -0.439 -4.185
73 HA ARG 9 HA ARG 9 -13.178 -0.285 -3.625
74 HB2 ARG 9 2HB ARG 9 -12.440 -2.541 -1.759
75 HB3 ARG 9 1HB ARG 9 -14.097 -2.037 -2.077
76 HG2 ARG 9 2HG ARG 9 -13.867 -2.607 -4.407
77 HG3 ARG 9 1HG ARG 9 -12.156 -2.966 -4.176
78 HD2 ARG 9 2HD ARG 9 -13.434 -5.010 -4.269
79 HD3 ARG 9 1HD ARG 9 -12.756 -4.784 -2.660
80 HE ARG 9 HE ARG 9 -15.409 -3.781 -2.898
81 HH11 ARG 9 1HH1 ARG 9 -13.498 -6.730 -2.421
82 HH12 ARG 9 2HH1 ARG 9 -14.741 -7.569 -1.608
83 HH21 ARG 9 1HH2 ARG 9 -17.131 -4.967 -1.771
84 HH22 ARG 9 2HH2 ARG 9 -16.827 -6.546 -1.208
85 H GLY 10 HN GLY 10 -11.104 1.215 -2.052
86 HA2 GLY 10 2HA GLY 10 -11.731 3.083 -0.672
87 HA3 GLY 10 1HA GLY 10 -12.892 2.034 0.133
88 H ILE 11 HN ILE 11 -10.528 -0.042 -0.047
89 HA ILE 11 HA ILE 11 -9.512 0.706 2.553
90 HB ILE 11 HB ILE 11 -9.056 -1.845 0.968
91 HG12 ILE 11 2HG1 ILE 11 -11.384 -1.616 1.641
92 HG13 ILE 11 1HG1 ILE 11 -10.603 -2.861 2.614
93 HG21 ILE 11 1HG2 ILE 11 -8.370 -1.200 3.846
94 HG22 ILE 11 2HG2 ILE 11 -7.216 -1.408 2.528
95 HG23 ILE 11 3HG2 ILE 11 -8.185 -2.777 3.077
96 HD11 ILE 11 1HD1 ILE 11 -12.030 -1.504 4.005
97 HD12 ILE 11 2HD1 ILE 11 -11.217 -0.039 3.456
98 HD13 ILE 11 3HD1 ILE 11 -10.341 -1.210 4.431
99 H CYS 12 HN CYS 12 -7.875 1.920 2.641
100 HA CYS 12 HA CYS 12 -5.861 1.815 0.521
101 HB2 CYS 12 2HB CYS 12 -6.685 3.979 2.405
102 HB3 CYS 12 1HB CYS 12 -5.250 4.100 1.369
103 H TYR 13 HN TYR 13 -4.040 0.914 1.016
104 HA TYR 13 HA TYR 13 -3.169 1.023 3.791
105 HB2 TYR 13 2HB TYR 13 -2.277 -1.274 3.600
106 HB3 TYR 13 1HB TYR 13 -4.020 -1.233 3.394
107 HD1 TYR 13 1HD TYR 13 -0.825 -2.025 1.851
108 HD2 TYR 13 2HD TYR 13 -4.991 -1.598 1.134
109 HE1 TYR 13 1HE TYR 13 -0.592 -3.266 -0.263
110 HE2 TYR 13 2HE TYR 13 -4.757 -2.836 -0.968
111 HH TYR 13 HH TYR 13 -2.033 -4.601 -1.772
112 H ARG 14 HN ARG 14 -1.020 1.304 4.102
113 HA ARG 14 HA ARG 14 0.510 1.948 1.709
114 HB2 ARG 14 2HB ARG 14 0.489 3.728 3.377
115 HB3 ARG 14 1HB ARG 14 1.060 2.607 4.609
116 HG2 ARG 14 2HG ARG 14 3.144 2.301 3.374
117 HG3 ARG 14 1HG ARG 14 2.583 3.427 2.140
118 HD2 ARG 14 2HD ARG 14 2.851 4.074 5.027
119 HD3 ARG 14 1HD ARG 14 4.147 4.394 3.871
120 HE ARG 14 HE ARG 14 1.795 5.555 2.921
121 HH11 ARG 14 1HH1 ARG 14 4.046 5.996 5.608
122 HH12 ARG 14 2HH1 ARG 14 3.812 7.672 5.733
123 HH21 ARG 14 1HH2 ARG 14 1.467 7.884 3.081
124 HH22 ARG 14 2HH2 ARG 14 2.293 8.761 4.280
125 H LYS 15 HN LYS 15 1.632 0.439 0.990
126 HA LYS 15 HA LYS 15 2.398 -1.815 2.688
127 HB2 LYS 15 2HB LYS 15 1.042 -2.131 0.568
128 HB3 LYS 15 1HB LYS 15 2.438 -1.568 -0.325
129 HG2 LYS 15 2HG LYS 15 2.325 -3.976 -0.402
130 HG3 LYS 15 1HG LYS 15 3.735 -3.484 0.539
131 HD2 LYS 15 2HD LYS 15 2.576 -3.935 2.604
132 HD3 LYS 15 1HD LYS 15 1.075 -4.250 1.733
133 HE2 LYS 15 2HE LYS 15 3.608 -5.871 1.469
134 HE3 LYS 15 1HE LYS 15 2.237 -6.311 2.485
135 HZ1 LYS 15 1HZ LYS 15 2.171 -5.998 -0.471
136 HZ2 LYS 15 2HZ LYS 15 0.867 -6.432 0.483
137 HZ3 LYS 15 3HZ LYS 15 2.190 -7.457 0.360
138 H CYS 16 HN CYS 16 4.447 -1.748 3.387
139 HA CYS 16 HA CYS 16 6.344 -0.213 1.800
140 HB2 CYS 16 2HB CYS 16 6.495 -1.140 4.669
141 HB3 CYS 16 1HB CYS 16 7.750 -0.231 3.831
142 H ARG 17 HN ARG 17 7.663 -1.219 0.568
143 HA ARG 17 HA ARG 17 8.324 -4.010 1.163
144 HB2 ARG 17 2HB ARG 17 6.914 -3.710 -0.879
145 HB3 ARG 17 1HB ARG 17 8.127 -2.623 -1.528
146 HG2 ARG 17 2HG ARG 17 9.744 -4.458 -1.566
147 HG3 ARG 17 1HG ARG 17 8.511 -5.549 -0.931
148 HD2 ARG 17 2HD ARG 17 8.696 -5.792 -3.351
149 HD3 ARG 17 1HD ARG 17 7.127 -5.115 -2.919
150 HE ARG 17 HE ARG 17 8.886 -3.016 -3.389
151 HH11 ARG 17 1HH1 ARG 17 7.346 -5.587 -5.280
152 HH12 ARG 17 2HH1 ARG 17 7.340 -4.696 -6.723
153 HH21 ARG 17 1HH2 ARG 17 8.858 -1.806 -5.360
154 HH22 ARG 17 2HH2 ARG 17 8.196 -2.502 -6.771
155 H GLY 18 HN GLY 18 10.238 -3.812 2.116
156 HA2 GLY 18 2HA GLY 18 12.485 -3.383 2.271
157 HA3 GLY 18 1HA GLY 18 12.400 -2.505 0.738
Start of MODEL 15
1 H1 ARG 1 HN ARG 1 12.257 -0.647 0.499
2 HA ARG 1 HA ARG 1 12.154 0.806 3.071
3 HB2 ARG 1 2HB ARG 1 13.965 1.409 0.731
4 HB3 ARG 1 1HB ARG 1 13.869 2.319 2.229
5 HG2 ARG 1 2HG ARG 1 14.749 0.445 3.462
6 HG3 ARG 1 1HG ARG 1 14.774 -0.537 1.995
7 HD2 ARG 1 2HD ARG 1 16.343 1.985 2.483
8 HD3 ARG 1 1HD ARG 1 16.987 0.348 2.504
9 HE ARG 1 HE ARG 1 15.686 1.065 0.038
10 HH11 ARG 1 1HH1 ARG 1 18.738 1.074 1.804
11 HH12 ARG 1 2HH1 ARG 1 19.700 1.186 0.411
12 HH21 ARG 1 1HH2 ARG 1 17.018 1.254 -1.884
13 HH22 ARG 1 2HH2 ARG 1 18.714 1.276 -1.708
14 H TRP 2 HN TRP 2 10.696 0.217 0.239
15 HA TRP 2 HA TRP 2 9.983 3.003 -0.356
16 HB2 TRP 2 2HB TRP 2 10.958 1.545 -2.180
17 HB3 TRP 2 1HB TRP 2 9.543 0.518 -2.020
18 HD1 TRP 2 1HD TRP 2 7.162 1.712 -2.632
19 HE1 TRP 2 1HE TRP 2 6.613 3.475 -4.424
20 HE3 TRP 2 3HE TRP 2 11.854 3.507 -3.412
21 HZ2 TRP 2 2HZ TRP 2 8.018 5.388 -5.969
22 HZ3 TRP 2 3HZ TRP 2 12.177 5.311 -5.061
23 HH2 TRP 2 2HH TRP 2 10.292 6.225 -6.310
24 H CYS 3 HN CYS 3 8.067 3.652 0.293
25 HA CYS 3 HA CYS 3 6.097 1.604 0.979
26 HB2 CYS 3 2HB CYS 3 6.488 4.339 2.188
27 HB3 CYS 3 1HB CYS 3 5.176 3.240 2.588
28 H PHE 4 HN PHE 4 4.261 1.608 -0.039
29 HA PHE 4 HA PHE 4 3.486 3.982 -1.528
30 HB2 PHE 4 2HB PHE 4 2.696 2.459 -3.379
31 HB3 PHE 4 1HB PHE 4 4.438 2.542 -3.192
32 HD1 PHE 4 1HD PHE 4 5.621 0.614 -2.062
33 HD2 PHE 4 2HD PHE 4 1.551 0.407 -3.266
34 HE1 PHE 4 1HE PHE 4 5.736 -1.830 -1.991
35 HE2 PHE 4 2HE PHE 4 1.655 -2.047 -3.183
36 HZ PHE 4 HZ PHE 4 3.748 -3.171 -2.545
37 H ARG 5 HN ARG 5 1.159 3.952 -2.111
38 HA ARG 5 HA ARG 5 -0.368 2.738 0.089
39 HB2 ARG 5 2HB ARG 5 -0.345 5.182 0.159
40 HB3 ARG 5 1HB ARG 5 -0.938 5.253 -1.493
41 HG2 ARG 5 2HG ARG 5 -3.014 4.113 -0.752
42 HG3 ARG 5 1HG ARG 5 -2.419 4.172 0.903
43 HD2 ARG 5 2HD ARG 5 -2.971 6.557 -0.868
44 HD3 ARG 5 1HD ARG 5 -3.998 5.989 0.446
45 HE ARG 5 HE ARG 5 -1.269 6.636 1.143
46 HH11 ARG 5 1HH1 ARG 5 -4.597 7.831 0.990
47 HH12 ARG 5 2HH1 ARG 5 -4.363 9.045 2.152
48 HH21 ARG 5 1HH2 ARG 5 -0.937 8.310 2.696
49 HH22 ARG 5 2HH2 ARG 5 -2.194 9.340 3.154
50 H VAL 6 HN VAL 6 -1.603 1.124 -0.544
51 HA VAL 6 HA VAL 6 -2.575 1.117 -3.321
52 HB VAL 6 HB VAL 6 -2.619 -1.190 -1.355
53 HG11 VAL 6 1HG1 VAL 6 -3.010 -2.570 -3.355
54 HG12 VAL 6 2HG1 VAL 6 -3.077 -1.103 -4.332
55 HG13 VAL 6 3HG1 VAL 6 -4.291 -1.387 -3.085
56 HG21 VAL 6 1HG2 VAL 6 -0.741 -2.137 -2.613
57 HG22 VAL 6 2HG2 VAL 6 -0.310 -0.614 -1.838
58 HG23 VAL 6 3HG2 VAL 6 -0.642 -0.659 -3.569
59 H CYS 7 HN CYS 7 -4.669 1.524 -3.635
60 HA CYS 7 HA CYS 7 -6.471 1.285 -1.332
61 HB2 CYS 7 2HB CYS 7 -6.565 3.294 -3.595
62 HB3 CYS 7 1HB CYS 7 -7.794 3.106 -2.351
63 H TYR 8 HN TYR 8 -7.737 -0.403 -1.609
64 HA TYR 8 HA TYR 8 -8.796 -0.763 -4.300
65 HB2 TYR 8 2HB TYR 8 -8.597 -3.152 -4.198
66 HB3 TYR 8 1HB TYR 8 -7.052 -2.457 -3.731
67 HD1 TYR 8 1HD TYR 8 -6.634 -2.261 -1.156
68 HD2 TYR 8 2HD TYR 8 -9.525 -4.807 -2.914
69 HE1 TYR 8 1HE TYR 8 -6.607 -3.685 0.868
70 HE2 TYR 8 2HE TYR 8 -9.523 -6.221 -0.926
71 HH TYR 8 HH TYR 8 -7.956 -5.276 1.997
72 H ARG 9 HN ARG 9 -10.878 -0.687 -4.409
73 HA ARG 9 HA ARG 9 -13.060 -0.578 -3.910
74 HB2 ARG 9 2HB ARG 9 -12.378 -2.546 -1.722
75 HB3 ARG 9 1HB ARG 9 -13.998 -2.178 -2.290
76 HG2 ARG 9 2HG ARG 9 -13.295 -3.015 -4.543
77 HG3 ARG 9 1HG ARG 9 -11.794 -3.559 -3.789
78 HD2 ARG 9 2HD ARG 9 -13.381 -5.382 -3.894
79 HD3 ARG 9 1HD ARG 9 -13.112 -4.916 -2.211
80 HE ARG 9 HE ARG 9 -15.328 -3.639 -3.506
81 HH11 ARG 9 1HH1 ARG 9 -14.326 -6.406 -1.562
82 HH12 ARG 9 2HH1 ARG 9 -15.881 -6.753 -0.975
83 HH21 ARG 9 1HH2 ARG 9 -17.474 -4.100 -2.707
84 HH22 ARG 9 2HH2 ARG 9 -17.738 -5.393 -1.636
85 H GLY 10 HN GLY 10 -11.061 1.144 -2.419
86 HA2 GLY 10 2HA GLY 10 -11.732 3.096 -1.214
87 HA3 GLY 10 1HA GLY 10 -12.960 2.131 -0.408
88 H ILE 11 HN ILE 11 -10.517 0.081 -0.293
89 HA ILE 11 HA ILE 11 -9.683 0.999 2.356
90 HB ILE 11 HB ILE 11 -9.375 -1.715 1.027
91 HG12 ILE 11 2HG1 ILE 11 -11.680 -1.235 1.676
92 HG13 ILE 11 1HG1 ILE 11 -10.998 -2.463 2.736
93 HG21 ILE 11 1HG2 ILE 11 -7.495 -1.316 2.524
94 HG22 ILE 11 2HG2 ILE 11 -8.578 -2.531 3.206
95 HG23 ILE 11 3HG2 ILE 11 -8.602 -0.881 3.825
96 HD11 ILE 11 1HD1 ILE 11 -12.316 -0.887 4.021
97 HD12 ILE 11 2HD1 ILE 11 -11.376 0.457 3.384
98 HD13 ILE 11 3HD1 ILE 11 -10.609 -0.719 4.445
99 H CYS 12 HN CYS 12 -7.978 2.144 2.480
100 HA CYS 12 HA CYS 12 -5.807 1.714 0.576
101 HB2 CYS 12 2HB CYS 12 -6.462 4.016 2.383
102 HB3 CYS 12 1HB CYS 12 -5.041 3.949 1.336
103 H TYR 13 HN TYR 13 -3.862 1.097 1.261
104 HA TYR 13 HA TYR 13 -3.256 1.236 4.083
105 HB2 TYR 13 2HB TYR 13 -2.349 -1.087 4.092
106 HB3 TYR 13 1HB TYR 13 -4.087 -1.019 3.884
107 HD1 TYR 13 1HD TYR 13 -0.928 -2.029 2.423
108 HD2 TYR 13 2HD TYR 13 -5.090 -1.573 1.677
109 HE1 TYR 13 1HE TYR 13 -0.732 -3.498 0.483
110 HE2 TYR 13 2HE TYR 13 -4.910 -3.040 -0.268
111 HH TYR 13 HH TYR 13 -3.263 -3.861 -1.820
112 H ARG 14 HN ARG 14 -1.089 1.252 4.564
113 HA ARG 14 HA ARG 14 0.562 2.297 2.409
114 HB2 ARG 14 2HB ARG 14 0.216 3.545 4.571
115 HB3 ARG 14 1HB ARG 14 1.028 2.233 5.400
116 HG2 ARG 14 2HG ARG 14 2.538 4.079 5.107
117 HG3 ARG 14 1HG ARG 14 3.076 2.726 4.109
118 HD2 ARG 14 2HD ARG 14 2.188 3.759 2.136
119 HD3 ARG 14 1HD ARG 14 1.408 5.016 3.095
120 HE ARG 14 HE ARG 14 4.028 5.223 3.729
121 HH11 ARG 14 1HH1 ARG 14 2.220 5.416 0.688
122 HH12 ARG 14 2HH1 ARG 14 3.329 6.437 -0.095
123 HH21 ARG 14 1HH2 ARG 14 5.567 6.677 2.639
124 HH22 ARG 14 2HH2 ARG 14 5.298 7.123 1.034
125 H LYS 15 HN LYS 15 1.558 0.664 1.389
126 HA LYS 15 HA LYS 15 2.439 -1.663 2.929
127 HB2 LYS 15 2HB LYS 15 0.928 -1.950 0.938
128 HB3 LYS 15 1HB LYS 15 2.213 -1.308 -0.065
129 HG2 LYS 15 2HG LYS 15 2.146 -3.722 -0.210
130 HG3 LYS 15 1HG LYS 15 3.641 -3.200 0.569
131 HD2 LYS 15 2HD LYS 15 2.769 -3.756 2.743
132 HD3 LYS 15 1HD LYS 15 1.179 -4.100 2.062
133 HE2 LYS 15 2HE LYS 15 3.715 -5.611 1.440
134 HE3 LYS 15 1HE LYS 15 2.480 -6.139 2.570
135 HZ1 LYS 15 1HZ LYS 15 2.027 -5.679 -0.335
136 HZ2 LYS 15 2HZ LYS 15 0.908 -6.285 0.773
137 HZ3 LYS 15 3HZ LYS 15 2.271 -7.178 0.388
138 H CYS 16 HN CYS 16 4.571 -1.901 3.293
139 HA CYS 16 HA CYS 16 6.367 -0.196 1.751
140 HB2 CYS 16 2HB CYS 16 6.655 -1.205 4.580
141 HB3 CYS 16 1HB CYS 16 7.884 -0.291 3.707
142 H ARG 17 HN ARG 17 7.634 -1.123 0.444
143 HA ARG 17 HA ARG 17 8.289 -3.951 0.806
144 HB2 ARG 17 2HB ARG 17 6.955 -3.522 -1.203
145 HB3 ARG 17 1HB ARG 17 8.087 -2.276 -1.706
146 HG2 ARG 17 2HG ARG 17 9.822 -3.965 -1.996
147 HG3 ARG 17 1HG ARG 17 8.696 -5.217 -1.467
148 HD2 ARG 17 2HD ARG 17 8.272 -3.410 -3.823
149 HD3 ARG 17 1HD ARG 17 8.903 -5.058 -3.934
150 HE ARG 17 HE ARG 17 6.729 -5.669 -2.812
151 HH11 ARG 17 1HH1 ARG 17 6.984 -2.957 -5.093
152 HH12 ARG 17 2HH1 ARG 17 5.350 -3.004 -5.560
153 HH21 ARG 17 1HH2 ARG 17 4.510 -5.770 -3.493
154 HH22 ARG 17 2HH2 ARG 17 3.912 -4.675 -4.662
155 H GLY 18 HN GLY 18 10.115 -3.831 1.880
156 HA2 GLY 18 2HA GLY 18 12.387 -3.677 2.071
157 HA3 GLY 18 1HA GLY 18 12.429 -2.801 0.539
Start of MODEL 16
1 H1 ARG 1 HN ARG 1 12.743 -0.569 0.384
2 HA ARG 1 HA ARG 1 12.796 1.845 2.058
3 HB2 ARG 1 2HB ARG 1 14.001 2.944 0.294
4 HB3 ARG 1 1HB ARG 1 14.767 1.397 0.605
5 HG2 ARG 1 2HG ARG 1 13.668 0.449 -1.363
6 HG3 ARG 1 1HG ARG 1 12.872 1.987 -1.665
7 HD2 ARG 1 2HD ARG 1 15.063 3.043 -1.969
8 HD3 ARG 1 1HD ARG 1 15.845 1.490 -1.687
9 HE ARG 1 HE ARG 1 13.908 1.407 -3.786
10 HH11 ARG 1 1HH1 ARG 1 17.293 2.193 -3.069
11 HH12 ARG 1 2HH1 ARG 1 17.834 1.953 -4.656
12 HH21 ARG 1 1HH2 ARG 1 14.663 1.091 -5.984
13 HH22 ARG 1 2HH2 ARG 1 16.294 1.358 -6.356
14 H TRP 2 HN TRP 2 10.715 0.228 -0.097
15 HA TRP 2 HA TRP 2 9.548 2.789 -0.910
16 HB2 TRP 2 2HB TRP 2 10.304 1.339 -2.777
17 HB3 TRP 2 1HB TRP 2 9.174 0.113 -2.245
18 HD1 TRP 2 1HD TRP 2 8.170 3.835 -2.408
19 HE1 TRP 2 1HE TRP 2 6.313 4.122 -4.154
20 HE3 TRP 2 3HE TRP 2 8.174 -0.876 -4.365
21 HZ2 TRP 2 2HZ TRP 2 5.022 2.557 -6.121
22 HZ3 TRP 2 3HZ TRP 2 6.596 -1.396 -6.192
23 HH2 TRP 2 2HH TRP 2 5.059 0.296 -7.045
24 H CYS 3 HN CYS 3 7.830 3.397 0.054
25 HA CYS 3 HA CYS 3 5.935 1.408 1.057
26 HB2 CYS 3 2HB CYS 3 6.363 4.302 1.842
27 HB3 CYS 3 1HB CYS 3 5.063 3.285 2.445
28 H PHE 4 HN PHE 4 4.231 1.182 -0.156
29 HA PHE 4 HA PHE 4 3.336 3.494 -1.674
30 HB2 PHE 4 2HB PHE 4 2.555 1.884 -3.454
31 HB3 PHE 4 1HB PHE 4 4.296 2.041 -3.309
32 HD1 PHE 4 1HD PHE 4 1.455 -0.192 -3.092
33 HD2 PHE 4 2HD PHE 4 5.608 0.213 -2.303
34 HE1 PHE 4 1HE PHE 4 1.651 -2.635 -2.926
35 HE2 PHE 4 2HE PHE 4 5.821 -2.231 -2.133
36 HZ PHE 4 HZ PHE 4 3.835 -3.663 -2.447
37 H ARG 5 HN ARG 5 1.147 3.733 -1.927
38 HA ARG 5 HA ARG 5 -0.375 2.275 0.110
39 HB2 ARG 5 2HB ARG 5 -0.157 4.735 0.424
40 HB3 ARG 5 1HB ARG 5 -0.979 4.973 -1.113
41 HG2 ARG 5 2HG ARG 5 -2.944 3.779 -0.189
42 HG3 ARG 5 1HG ARG 5 -2.115 3.696 1.365
43 HD2 ARG 5 2HD ARG 5 -3.632 5.557 1.399
44 HD3 ARG 5 1HD ARG 5 -1.980 6.176 1.355
45 HE ARG 5 HE ARG 5 -2.746 6.046 -1.248
46 HH11 ARG 5 1HH1 ARG 5 -3.994 7.714 1.608
47 HH12 ARG 5 2HH1 ARG 5 -4.733 8.958 0.697
48 HH21 ARG 5 1HH2 ARG 5 -3.719 7.737 -2.443
49 HH22 ARG 5 2HH2 ARG 5 -4.585 8.972 -1.613
50 H VAL 6 HN VAL 6 -1.827 0.947 -0.607
51 HA VAL 6 HA VAL 6 -2.747 1.249 -3.377
52 HB VAL 6 HB VAL 6 -2.816 -1.230 -1.626
53 HG11 VAL 6 1HG1 VAL 6 -4.612 -1.189 -3.267
54 HG12 VAL 6 2HG1 VAL 6 -3.415 -2.421 -3.667
55 HG13 VAL 6 3HG1 VAL 6 -3.443 -0.899 -4.557
56 HG21 VAL 6 1HG2 VAL 6 -0.529 -0.680 -2.225
57 HG22 VAL 6 2HG2 VAL 6 -0.982 -0.559 -3.925
58 HG23 VAL 6 3HG2 VAL 6 -1.061 -2.116 -3.101
59 H CYS 7 HN CYS 7 -4.816 1.764 -3.642
60 HA CYS 7 HA CYS 7 -6.620 1.406 -1.364
61 HB2 CYS 7 2HB CYS 7 -6.605 3.651 -3.397
62 HB3 CYS 7 1HB CYS 7 -7.871 3.383 -2.206
63 H TYR 8 HN TYR 8 -7.872 -0.215 -1.782
64 HA TYR 8 HA TYR 8 -8.988 -0.309 -4.469
65 HB2 TYR 8 2HB TYR 8 -8.959 -2.726 -4.489
66 HB3 TYR 8 1HB TYR 8 -7.372 -2.147 -4.000
67 HD1 TYR 8 1HD TYR 8 -6.678 -2.346 -1.625
68 HD2 TYR 8 2HD TYR 8 -10.214 -4.151 -3.096
69 HE1 TYR 8 1HE TYR 8 -6.719 -3.855 0.333
70 HE2 TYR 8 2HE TYR 8 -10.288 -5.651 -1.172
71 HH TYR 8 HH TYR 8 -8.808 -6.564 0.501
72 H ARG 9 HN ARG 9 -10.961 0.297 -4.455
73 HA ARG 9 HA ARG 9 -13.169 0.551 -4.000
74 HB2 ARG 9 2HB ARG 9 -12.831 -1.875 -2.227
75 HB3 ARG 9 1HB ARG 9 -14.362 -1.226 -2.794
76 HG2 ARG 9 2HG ARG 9 -12.196 -2.441 -4.507
77 HG3 ARG 9 1HG ARG 9 -13.710 -3.207 -4.027
78 HD2 ARG 9 2HD ARG 9 -13.475 -0.712 -5.707
79 HD3 ARG 9 1HD ARG 9 -13.759 -2.335 -6.323
80 HE ARG 9 HE ARG 9 -15.687 -1.560 -4.368
81 HH11 ARG 9 1HH1 ARG 9 -14.854 -1.282 -7.801
82 HH12 ARG 9 2HH1 ARG 9 -16.447 -0.984 -8.298
83 HH21 ARG 9 1HH2 ARG 9 -17.873 -1.199 -5.075
84 HH22 ARG 9 2HH2 ARG 9 -18.200 -0.948 -6.727
85 H GLY 10 HN GLY 10 -11.036 1.659 -2.184
86 HA2 GLY 10 2HA GLY 10 -11.587 3.393 -0.578
87 HA3 GLY 10 1HA GLY 10 -12.851 2.331 0.029
88 H ILE 11 HN ILE 11 -10.545 0.184 -0.363
89 HA ILE 11 HA ILE 11 -9.597 0.560 2.359
90 HB ILE 11 HB ILE 11 -9.283 -1.848 0.531
91 HG12 ILE 11 2HG1 ILE 11 -11.584 -1.508 1.299
92 HG13 ILE 11 1HG1 ILE 11 -10.871 -2.930 2.054
93 HG21 ILE 11 1HG2 ILE 11 -8.509 -1.540 3.441
94 HG22 ILE 11 2HG2 ILE 11 -7.393 -1.680 2.084
95 HG23 ILE 11 3HG2 ILE 11 -8.436 -3.039 2.510
96 HD11 ILE 11 1HD1 ILE 11 -10.454 -1.609 4.086
97 HD12 ILE 11 2HD1 ILE 11 -12.165 -1.688 3.675
98 HD13 ILE 11 3HD1 ILE 11 -11.239 -0.223 3.332
99 H CYS 12 HN CYS 12 -8.021 1.820 2.504
100 HA CYS 12 HA CYS 12 -5.833 1.727 0.576
101 HB2 CYS 12 2HB CYS 12 -6.650 3.743 2.635
102 HB3 CYS 12 1HB CYS 12 -5.167 3.875 1.674
103 H TYR 13 HN TYR 13 -4.118 0.655 1.144
104 HA TYR 13 HA TYR 13 -3.351 0.655 3.950
105 HB2 TYR 13 2HB TYR 13 -2.585 -1.679 3.800
106 HB3 TYR 13 1HB TYR 13 -4.312 -1.561 3.511
107 HD1 TYR 13 1HD TYR 13 -1.102 -2.625 2.213
108 HD2 TYR 13 2HD TYR 13 -5.156 -1.862 1.142
109 HE1 TYR 13 1HE TYR 13 -0.815 -3.970 0.195
110 HE2 TYR 13 2HE TYR 13 -4.874 -3.207 -0.888
111 HH TYR 13 HH TYR 13 -3.044 -3.975 -2.349
112 H ARG 14 HN ARG 14 -1.174 0.743 4.331
113 HA ARG 14 HA ARG 14 0.390 1.531 1.989
114 HB2 ARG 14 2HB ARG 14 0.137 3.291 3.658
115 HB3 ARG 14 1HB ARG 14 0.765 2.221 4.902
116 HG2 ARG 14 2HG ARG 14 2.932 2.174 3.794
117 HG3 ARG 14 1HG ARG 14 2.305 3.210 2.506
118 HD2 ARG 14 2HD ARG 14 2.378 3.914 5.406
119 HD3 ARG 14 1HD ARG 14 3.597 4.444 4.239
120 HE ARG 14 HE ARG 14 1.451 5.369 3.063
121 HH11 ARG 14 1HH1 ARG 14 2.230 5.568 6.513
122 HH12 ARG 14 2HH1 ARG 14 1.300 6.960 6.777
123 HH21 ARG 14 1HH2 ARG 14 0.241 7.288 3.402
124 HH22 ARG 14 2HH2 ARG 14 0.134 7.981 4.951
125 H LYS 15 HN LYS 15 1.786 0.181 1.336
126 HA LYS 15 HA LYS 15 2.694 -1.959 3.128
127 HB2 LYS 15 2HB LYS 15 1.257 -2.454 1.152
128 HB3 LYS 15 1HB LYS 15 2.646 -1.999 0.170
129 HG2 LYS 15 2HG LYS 15 3.966 -3.727 1.056
130 HG3 LYS 15 1HG LYS 15 2.781 -4.070 2.327
131 HD2 LYS 15 2HD LYS 15 1.176 -4.626 0.733
132 HD3 LYS 15 1HD LYS 15 2.318 -4.215 -0.563
133 HE2 LYS 15 2HE LYS 15 2.225 -6.678 -0.264
134 HE3 LYS 15 1HE LYS 15 3.791 -6.062 0.262
135 HZ1 LYS 15 1HZ LYS 15 2.869 -7.654 1.836
136 HZ2 LYS 15 2HZ LYS 15 1.501 -6.690 2.031
137 HZ3 LYS 15 3HZ LYS 15 2.988 -6.138 2.555
138 H CYS 16 HN CYS 16 4.770 -1.852 3.636
139 HA CYS 16 HA CYS 16 6.539 -0.235 1.951
140 HB2 CYS 16 2HB CYS 16 6.731 -0.877 4.895
141 HB3 CYS 16 1HB CYS 16 7.947 -0.001 3.978
142 H ARG 17 HN ARG 17 7.932 -1.307 0.797
143 HA ARG 17 HA ARG 17 8.876 -3.887 1.831
144 HB2 ARG 17 2HB ARG 17 8.781 -3.005 -1.059
145 HB3 ARG 17 1HB ARG 17 9.288 -4.578 -0.467
146 HG2 ARG 17 2HG ARG 17 6.977 -4.942 0.364
147 HG3 ARG 17 1HG ARG 17 6.514 -3.420 -0.397
148 HD2 ARG 17 2HD ARG 17 7.592 -5.884 -1.748
149 HD3 ARG 17 1HD ARG 17 5.950 -5.252 -1.853
150 HE ARG 17 HE ARG 17 8.155 -3.579 -2.783
151 HH11 ARG 17 1HH1 ARG 17 5.351 -5.580 -3.617
152 HH12 ARG 17 2HH1 ARG 17 5.336 -5.125 -5.252
153 HH21 ARG 17 1HH2 ARG 17 8.180 -3.021 -5.015
154 HH22 ARG 17 2HH2 ARG 17 7.013 -3.673 -6.088
155 H GLY 18 HN GLY 18 10.563 -3.043 2.958
156 HA2 GLY 18 2HA GLY 18 12.762 -2.468 3.210
157 HA3 GLY 18 1HA GLY 18 12.906 -2.445 1.458
Start of MODEL 17
1 H1 ARG 1 HN ARG 1 12.795 -0.337 0.692
2 HA ARG 1 HA ARG 1 12.209 1.512 2.900
3 HB2 ARG 1 2HB ARG 1 13.775 3.099 1.774
4 HB3 ARG 1 1HB ARG 1 14.548 1.649 2.392
5 HG2 ARG 1 2HG ARG 1 14.607 0.704 0.148
6 HG3 ARG 1 1HG ARG 1 13.807 2.144 -0.486
7 HD2 ARG 1 2HD ARG 1 15.669 3.518 0.205
8 HD3 ARG 1 1HD ARG 1 16.444 2.129 0.961
9 HE ARG 1 HE ARG 1 16.068 1.389 -1.625
10 HH11 ARG 1 1HH1 ARG 1 17.704 4.124 -0.067
11 HH12 ARG 1 2HH1 ARG 1 18.969 4.192 -1.185
12 HH21 ARG 1 1HH2 ARG 1 17.815 1.504 -3.193
13 HH22 ARG 1 2HH2 ARG 1 19.022 2.690 -3.010
14 H TRP 2 HN TRP 2 10.929 0.270 0.257
15 HA TRP 2 HA TRP 2 9.929 2.743 -0.900
16 HB2 TRP 2 2HB TRP 2 10.863 1.195 -2.496
17 HB3 TRP 2 1HB TRP 2 9.941 -0.133 -1.820
18 HD1 TRP 2 1HD TRP 2 8.648 3.307 -3.009
19 HE1 TRP 2 1HE TRP 2 6.814 2.882 -4.799
20 HE3 TRP 2 3HE TRP 2 8.962 -1.759 -3.286
21 HZ2 TRP 2 2HZ TRP 2 5.686 0.680 -6.137
22 HZ3 TRP 2 3HZ TRP 2 7.478 -2.964 -4.858
23 HH2 TRP 2 2HH TRP 2 5.886 -1.764 -6.241
24 H CYS 3 HN CYS 3 8.127 3.446 0.031
25 HA CYS 3 HA CYS 3 6.170 1.470 0.962
26 HB2 CYS 3 2HB CYS 3 6.542 4.343 1.847
27 HB3 CYS 3 1HB CYS 3 5.298 3.241 2.426
28 H PHE 4 HN PHE 4 4.401 1.305 -0.179
29 HA PHE 4 HA PHE 4 3.518 3.608 -1.747
30 HB2 PHE 4 2HB PHE 4 2.841 2.035 -3.563
31 HB3 PHE 4 1HB PHE 4 4.576 2.074 -3.311
32 HD1 PHE 4 1HD PHE 4 5.665 0.159 -2.093
33 HD2 PHE 4 2HD PHE 4 1.616 0.031 -3.383
34 HE1 PHE 4 1HE PHE 4 5.684 -2.293 -1.895
35 HE2 PHE 4 2HE PHE 4 1.624 -2.418 -3.186
36 HZ PHE 4 HZ PHE 4 3.659 -3.586 -2.438
37 H ARG 5 HN ARG 5 1.268 3.829 -1.954
38 HA ARG 5 HA ARG 5 -0.250 2.189 -0.050
39 HB2 ARG 5 2HB ARG 5 -0.039 4.607 0.563
40 HB3 ARG 5 1HB ARG 5 -0.825 5.021 -0.953
41 HG2 ARG 5 2HG ARG 5 -2.826 3.760 -0.206
42 HG3 ARG 5 1HG ARG 5 -2.036 3.505 1.349
43 HD2 ARG 5 2HD ARG 5 -2.704 6.179 0.120
44 HD3 ARG 5 1HD ARG 5 -3.607 5.393 1.408
45 HE ARG 5 HE ARG 5 -1.086 5.576 2.402
46 HH11 ARG 5 1HH1 ARG 5 -3.388 7.940 1.103
47 HH12 ARG 5 2HH1 ARG 5 -2.805 9.230 2.031
48 HH21 ARG 5 1HH2 ARG 5 -0.243 7.370 3.633
49 HH22 ARG 5 2HH2 ARG 5 -0.944 8.910 3.476
50 H VAL 6 HN VAL 6 -1.886 1.072 -0.800
51 HA VAL 6 HA VAL 6 -2.794 1.601 -3.552
52 HB VAL 6 HB VAL 6 -2.782 -1.088 -2.137
53 HG11 VAL 6 1HG1 VAL 6 -3.347 -0.398 -5.018
54 HG12 VAL 6 2HG1 VAL 6 -4.534 -0.891 -3.812
55 HG13 VAL 6 3HG1 VAL 6 -3.292 -2.027 -4.340
56 HG21 VAL 6 1HG2 VAL 6 -0.492 -0.396 -2.592
57 HG22 VAL 6 2HG2 VAL 6 -0.904 -0.099 -4.282
58 HG23 VAL 6 3HG2 VAL 6 -0.957 -1.739 -3.635
59 H CYS 7 HN CYS 7 -4.998 1.641 -3.851
60 HA CYS 7 HA CYS 7 -6.649 1.237 -1.464
61 HB2 CYS 7 2HB CYS 7 -6.954 3.409 -3.551
62 HB3 CYS 7 1HB CYS 7 -8.079 3.090 -2.238
63 H TYR 8 HN TYR 8 -8.232 -0.144 -1.724
64 HA TYR 8 HA TYR 8 -9.328 -0.396 -4.384
65 HB2 TYR 8 2HB TYR 8 -9.396 -2.814 -4.338
66 HB3 TYR 8 1HB TYR 8 -7.754 -2.279 -4.012
67 HD1 TYR 8 1HD TYR 8 -6.902 -2.413 -1.693
68 HD2 TYR 8 2HD TYR 8 -10.559 -4.189 -2.829
69 HE1 TYR 8 1HE TYR 8 -6.801 -3.874 0.307
70 HE2 TYR 8 2HE TYR 8 -10.506 -5.640 -0.855
71 HH TYR 8 HH TYR 8 -8.252 -5.174 1.711
72 H ARG 9 HN ARG 9 -11.254 0.235 -4.270
73 HA ARG 9 HA ARG 9 -13.439 0.487 -3.752
74 HB2 ARG 9 2HB ARG 9 -13.036 -2.099 -2.249
75 HB3 ARG 9 1HB ARG 9 -14.595 -1.403 -2.654
76 HG2 ARG 9 2HG ARG 9 -12.524 -2.353 -4.641
77 HG3 ARG 9 1HG ARG 9 -13.965 -3.245 -4.170
78 HD2 ARG 9 2HD ARG 9 -14.479 -2.228 -6.254
79 HD3 ARG 9 1HD ARG 9 -15.299 -1.272 -5.028
80 HE ARG 9 HE ARG 9 -12.684 -0.357 -5.925
81 HH11 ARG 9 1HH1 ARG 9 -16.190 0.075 -6.153
82 HH12 ARG 9 2HH1 ARG 9 -16.086 1.647 -6.802
83 HH21 ARG 9 1HH2 ARG 9 -12.566 1.775 -6.811
84 HH22 ARG 9 2HH2 ARG 9 -14.008 2.632 -7.183
85 H GLY 10 HN GLY 10 -11.445 1.660 -2.026
86 HA2 GLY 10 2HA GLY 10 -12.047 3.311 -0.394
87 HA3 GLY 10 1HA GLY 10 -13.220 2.177 0.257
88 H ILE 11 HN ILE 11 -10.698 0.247 -0.248
89 HA ILE 11 HA ILE 11 -9.684 0.708 2.453
90 HB ILE 11 HB ILE 11 -9.496 -1.743 0.675
91 HG12 ILE 11 2HG1 ILE 11 -11.720 -1.372 1.631
92 HG13 ILE 11 1HG1 ILE 11 -10.959 -2.789 2.340
93 HG21 ILE 11 1HG2 ILE 11 -8.449 -1.352 3.478
94 HG22 ILE 11 2HG2 ILE 11 -7.477 -1.574 2.023
95 HG23 ILE 11 3HG2 ILE 11 -8.495 -2.890 2.613
96 HD11 ILE 11 1HD1 ILE 11 -10.392 -1.480 4.330
97 HD12 ILE 11 2HD1 ILE 11 -12.131 -1.477 4.028
98 HD13 ILE 11 3HD1 ILE 11 -11.156 -0.064 3.618
99 H CYS 12 HN CYS 12 -7.987 1.887 2.562
100 HA CYS 12 HA CYS 12 -5.956 1.748 0.464
101 HB2 CYS 12 2HB CYS 12 -6.672 3.875 2.450
102 HB3 CYS 12 1HB CYS 12 -5.240 3.955 1.415
103 H TYR 13 HN TYR 13 -4.178 0.731 0.979
104 HA TYR 13 HA TYR 13 -3.312 0.704 3.778
105 HB2 TYR 13 2HB TYR 13 -2.591 -1.646 3.514
106 HB3 TYR 13 1HB TYR 13 -4.328 -1.480 3.305
107 HD1 TYR 13 1HD TYR 13 -5.345 -1.816 1.085
108 HD2 TYR 13 2HD TYR 13 -1.177 -2.308 1.684
109 HE1 TYR 13 1HE TYR 13 -5.179 -2.984 -1.062
110 HE2 TYR 13 2HE TYR 13 -0.997 -3.480 -0.475
111 HH TYR 13 HH TYR 13 -3.400 -3.401 -2.789
112 H ARG 14 HN ARG 14 -1.060 0.712 4.045
113 HA ARG 14 HA ARG 14 0.437 1.328 1.595
114 HB2 ARG 14 2HB ARG 14 0.261 3.190 3.219
115 HB3 ARG 14 1HB ARG 14 1.030 2.179 4.435
116 HG2 ARG 14 2HG ARG 14 3.009 2.007 2.888
117 HG3 ARG 14 1HG ARG 14 2.245 3.248 1.895
118 HD2 ARG 14 2HD ARG 14 3.837 4.282 3.391
119 HD3 ARG 14 1HD ARG 14 2.204 4.738 3.869
120 HE ARG 14 HE ARG 14 3.062 2.419 5.253
121 HH11 ARG 14 1HH1 ARG 14 3.615 5.908 5.238
122 HH12 ARG 14 2HH1 ARG 14 3.819 6.024 6.916
123 HH21 ARG 14 1HH2 ARG 14 3.467 2.543 7.519
124 HH22 ARG 14 2HH2 ARG 14 3.808 4.047 8.238
125 H LYS 15 HN LYS 15 1.988 -0.003 1.081
126 HA LYS 15 HA LYS 15 2.925 -1.896 3.113
127 HB2 LYS 15 2HB LYS 15 2.874 -2.195 0.102
128 HB3 LYS 15 1HB LYS 15 3.660 -3.319 1.194
129 HG2 LYS 15 2HG LYS 15 0.717 -2.707 1.089
130 HG3 LYS 15 1HG LYS 15 1.502 -4.160 0.469
131 HD2 LYS 15 2HD LYS 15 2.260 -4.700 2.758
132 HD3 LYS 15 1HD LYS 15 1.415 -3.271 3.357
133 HE2 LYS 15 2HE LYS 15 0.065 -5.228 3.745
134 HE3 LYS 15 1HE LYS 15 -0.704 -4.213 2.531
135 HZ1 LYS 15 1HZ LYS 15 0.900 -6.651 1.983
136 HZ2 LYS 15 2HZ LYS 15 0.145 -5.712 0.816
137 HZ3 LYS 15 3HZ LYS 15 -0.771 -6.547 1.940
138 H CYS 16 HN CYS 16 4.919 -1.678 3.739
139 HA CYS 16 HA CYS 16 6.700 -0.106 2.069
140 HB2 CYS 16 2HB CYS 16 6.833 -0.806 5.006
141 HB3 CYS 16 1HB CYS 16 8.139 -0.014 4.132
142 H ARG 17 HN ARG 17 8.002 -1.107 0.913
143 HA ARG 17 HA ARG 17 8.785 -3.841 1.570
144 HB2 ARG 17 2HB ARG 17 7.367 -3.751 -0.386
145 HB3 ARG 17 1HB ARG 17 8.312 -2.437 -1.058
146 HG2 ARG 17 2HG ARG 17 10.177 -3.927 -1.423
147 HG3 ARG 17 1HG ARG 17 9.290 -5.242 -0.638
148 HD2 ARG 17 2HD ARG 17 7.641 -5.255 -2.314
149 HD3 ARG 17 1HD ARG 17 8.251 -3.768 -3.026
150 HE ARG 17 HE ARG 17 10.318 -5.151 -3.465
151 HH11 ARG 17 1HH1 ARG 17 7.111 -6.610 -3.327
152 HH12 ARG 17 2HH1 ARG 17 7.387 -7.687 -4.615
153 HH21 ARG 17 1HH2 ARG 17 10.679 -6.606 -5.291
154 HH22 ARG 17 2HH2 ARG 17 9.444 -7.663 -5.769
155 H GLY 18 HN GLY 18 10.663 -3.524 2.550
156 HA2 GLY 18 2HA GLY 18 12.882 -2.983 2.808
157 HA3 GLY 18 1HA GLY 18 12.893 -2.440 1.128
Start of MODEL 18
1 H1 ARG 1 HN ARG 1 12.419 -0.178 0.883
2 HA ARG 1 HA ARG 1 11.331 1.118 3.267
3 HB2 ARG 1 2HB ARG 1 12.938 2.919 3.146
4 HB3 ARG 1 1HB ARG 1 13.789 1.397 3.295
5 HG2 ARG 1 2HG ARG 1 14.353 1.449 0.942
6 HG3 ARG 1 1HG ARG 1 13.414 2.933 0.733
7 HD2 ARG 1 2HD ARG 1 15.873 2.579 2.444
8 HD3 ARG 1 1HD ARG 1 15.767 3.481 0.935
9 HE ARG 1 HE ARG 1 13.999 4.341 3.075
10 HH11 ARG 1 1HH1 ARG 1 17.005 4.962 1.326
11 HH12 ARG 1 2HH1 ARG 1 17.205 6.535 1.954
12 HH21 ARG 1 1HH2 ARG 1 14.286 6.419 3.970
13 HH22 ARG 1 2HH2 ARG 1 15.636 7.376 3.520
14 H TRP 2 HN TRP 2 10.720 0.390 0.289
15 HA TRP 2 HA TRP 2 9.828 3.012 -0.620
16 HB2 TRP 2 2HB TRP 2 10.951 1.410 -2.217
17 HB3 TRP 2 1HB TRP 2 9.614 0.301 -1.943
18 HD1 TRP 2 1HD TRP 2 7.112 1.367 -2.718
19 HE1 TRP 2 1HE TRP 2 6.563 2.737 -4.843
20 HE3 TRP 2 3HE TRP 2 11.808 2.952 -3.875
21 HZ2 TRP 2 2HZ TRP 2 7.961 4.276 -6.744
22 HZ3 TRP 2 3HZ TRP 2 12.119 4.358 -5.868
23 HH2 TRP 2 2HH TRP 2 10.233 4.999 -7.263
24 H CYS 3 HN CYS 3 7.908 3.591 0.107
25 HA CYS 3 HA CYS 3 5.985 1.492 0.760
26 HB2 CYS 3 2HB CYS 3 6.213 4.308 1.807
27 HB3 CYS 3 1HB CYS 3 4.930 3.175 2.215
28 H PHE 4 HN PHE 4 4.227 1.317 -0.408
29 HA PHE 4 HA PHE 4 3.356 3.674 -1.832
30 HB2 PHE 4 2HB PHE 4 2.602 2.249 -3.729
31 HB3 PHE 4 1HB PHE 4 4.342 2.308 -3.547
32 HD1 PHE 4 1HD PHE 4 5.501 0.271 -2.570
33 HD2 PHE 4 2HD PHE 4 1.423 0.243 -3.758
34 HE1 PHE 4 1HE PHE 4 5.572 -2.173 -2.739
35 HE2 PHE 4 2HE PHE 4 1.483 -2.211 -3.908
36 HZ PHE 4 HZ PHE 4 3.557 -3.423 -3.402
37 H ARG 5 HN ARG 5 1.183 3.977 -2.053
38 HA ARG 5 HA ARG 5 -0.287 2.691 0.097
39 HB2 ARG 5 2HB ARG 5 -0.015 5.190 -0.086
40 HB3 ARG 5 1HB ARG 5 -0.990 5.117 -1.538
41 HG2 ARG 5 2HG ARG 5 -2.864 4.232 -0.239
42 HG3 ARG 5 1HG ARG 5 -1.878 4.326 1.225
43 HD2 ARG 5 2HD ARG 5 -1.585 6.772 0.766
44 HD3 ARG 5 1HD ARG 5 -2.758 6.603 -0.537
45 HE ARG 5 HE ARG 5 -3.673 5.634 1.988
46 HH11 ARG 5 1HH1 ARG 5 -3.392 8.515 -0.062
47 HH12 ARG 5 2HH1 ARG 5 -4.632 9.365 0.726
48 HH21 ARG 5 1HH2 ARG 5 -5.413 6.818 3.080
49 HH22 ARG 5 2HH2 ARG 5 -5.808 8.377 2.528
50 H VAL 6 HN VAL 6 -1.505 1.047 -0.493
51 HA VAL 6 HA VAL 6 -2.603 0.962 -3.208
52 HB VAL 6 HB VAL 6 -2.535 -1.228 -1.110
53 HG11 VAL 6 1HG1 VAL 6 -3.227 -1.337 -4.046
54 HG12 VAL 6 2HG1 VAL 6 -4.350 -1.507 -2.699
55 HG13 VAL 6 3HG1 VAL 6 -3.106 -2.727 -2.968
56 HG21 VAL 6 1HG2 VAL 6 -0.760 -0.845 -3.513
57 HG22 VAL 6 2HG2 VAL 6 -0.766 -2.256 -2.455
58 HG23 VAL 6 3HG2 VAL 6 -0.276 -0.683 -1.826
59 H CYS 7 HN CYS 7 -4.721 1.323 -3.462
60 HA CYS 7 HA CYS 7 -6.415 1.099 -1.092
61 HB2 CYS 7 2HB CYS 7 -6.561 3.261 -3.201
62 HB3 CYS 7 1HB CYS 7 -7.705 3.044 -1.884
63 H TYR 8 HN TYR 8 -7.655 -0.536 -1.444
64 HA TYR 8 HA TYR 8 -8.701 -0.844 -4.152
65 HB2 TYR 8 2HB TYR 8 -8.814 -3.241 -3.845
66 HB3 TYR 8 1HB TYR 8 -7.206 -2.672 -3.404
67 HD1 TYR 8 1HD TYR 8 -6.537 -2.644 -1.035
68 HD2 TYR 8 2HD TYR 8 -10.202 -4.352 -2.278
69 HE1 TYR 8 1HE TYR 8 -6.684 -3.873 1.108
70 HE2 TYR 8 2HE TYR 8 -10.383 -5.573 -0.161
71 HH TYR 8 HH TYR 8 -8.846 -6.403 1.607
72 H ARG 9 HN ARG 9 -10.703 -0.303 -4.351
73 HA ARG 9 HA ARG 9 -12.954 -0.023 -3.993
74 HB2 ARG 9 2HB ARG 9 -12.618 -1.931 -1.661
75 HB3 ARG 9 1HB ARG 9 -14.124 -1.503 -2.453
76 HG2 ARG 9 2HG ARG 9 -13.480 -2.671 -4.439
77 HG3 ARG 9 1HG ARG 9 -11.856 -2.958 -3.800
78 HD2 ARG 9 2HD ARG 9 -12.892 -4.233 -1.936
79 HD3 ARG 9 1HD ARG 9 -14.452 -4.057 -2.732
80 HE ARG 9 HE ARG 9 -12.909 -5.142 -4.648
81 HH11 ARG 9 1HH1 ARG 9 -13.594 -6.078 -1.290
82 HH12 ARG 9 2HH1 ARG 9 -13.434 -7.741 -1.591
83 HH21 ARG 9 1HH2 ARG 9 -12.637 -7.482 -5.011
84 HH22 ARG 9 2HH2 ARG 9 -12.847 -8.543 -3.704
85 H GLY 10 HN GLY 10 -10.742 1.383 -2.373
86 HA2 GLY 10 2HA GLY 10 -11.146 3.415 -1.156
87 HA3 GLY 10 1HA GLY 10 -12.528 2.632 -0.399
88 H ILE 11 HN ILE 11 -10.483 0.205 -0.276
89 HA ILE 11 HA ILE 11 -9.648 0.842 2.429
90 HB ILE 11 HB ILE 11 -9.291 -1.717 0.837
91 HG12 ILE 11 2HG1 ILE 11 -11.654 -1.238 1.218
92 HG13 ILE 11 1HG1 ILE 11 -11.141 -2.593 2.216
93 HG21 ILE 11 1HG2 ILE 11 -8.915 -1.173 3.784
94 HG22 ILE 11 2HG2 ILE 11 -7.638 -1.516 2.618
95 HG23 ILE 11 3HG2 ILE 11 -8.825 -2.760 3.019
96 HD11 ILE 11 1HD1 ILE 11 -11.527 0.247 3.134
97 HD12 ILE 11 2HD1 ILE 11 -10.974 -1.085 4.140
98 HD13 ILE 11 3HD1 ILE 11 -12.604 -1.117 3.457
99 H CYS 12 HN CYS 12 -8.024 2.062 2.570
100 HA CYS 12 HA CYS 12 -5.769 1.811 0.752
101 HB2 CYS 12 2HB CYS 12 -6.634 3.886 2.711
102 HB3 CYS 12 1HB CYS 12 -5.070 3.958 1.886
103 H TYR 13 HN TYR 13 -3.953 0.923 1.342
104 HA TYR 13 HA TYR 13 -3.160 1.061 4.115
105 HB2 TYR 13 2HB TYR 13 -2.366 -1.267 4.133
106 HB3 TYR 13 1HB TYR 13 -4.104 -1.177 3.928
107 HD1 TYR 13 1HD TYR 13 -5.146 -1.935 1.843
108 HD2 TYR 13 2HD TYR 13 -0.889 -2.112 2.313
109 HE1 TYR 13 1HE TYR 13 -4.964 -3.495 -0.053
110 HE2 TYR 13 2HE TYR 13 -0.750 -3.623 0.430
111 HH TYR 13 HH TYR 13 -3.351 -4.285 -1.667
112 H ARG 14 HN ARG 14 -1.000 1.194 4.388
113 HA ARG 14 HA ARG 14 0.475 1.844 1.982
114 HB2 ARG 14 2HB ARG 14 0.611 3.371 3.916
115 HB3 ARG 14 1HB ARG 14 1.296 2.069 4.882
116 HG2 ARG 14 2HG ARG 14 3.220 1.968 3.386
117 HG3 ARG 14 1HG ARG 14 2.540 3.284 2.427
118 HD2 ARG 14 2HD ARG 14 3.269 3.426 5.333
119 HD3 ARG 14 1HD ARG 14 4.253 4.061 4.016
120 HE ARG 14 HE ARG 14 1.848 5.242 3.675
121 HH11 ARG 14 1HH1 ARG 14 4.083 5.036 6.400
122 HH12 ARG 14 2HH1 ARG 14 3.658 6.543 7.054
123 HH21 ARG 14 1HH2 ARG 14 1.274 7.330 4.545
124 HH22 ARG 14 2HH2 ARG 14 2.012 7.887 5.963
125 H LYS 15 HN LYS 15 1.638 0.409 1.033
126 HA LYS 15 HA LYS 15 2.377 -2.043 2.434
127 HB2 LYS 15 2HB LYS 15 0.930 -2.065 0.358
128 HB3 LYS 15 1HB LYS 15 2.298 -1.418 -0.520
129 HG2 LYS 15 2HG LYS 15 2.114 -3.750 -0.917
130 HG3 LYS 15 1HG LYS 15 3.574 -3.458 0.044
131 HD2 LYS 15 2HD LYS 15 2.459 -4.236 2.030
132 HD3 LYS 15 1HD LYS 15 0.916 -4.343 1.185
133 HE2 LYS 15 2HE LYS 15 1.926 -6.035 -0.317
134 HE3 LYS 15 1HE LYS 15 3.386 -5.998 0.666
135 HZ1 LYS 15 1HZ LYS 15 2.043 -6.723 2.562
136 HZ2 LYS 15 2HZ LYS 15 1.987 -7.818 1.299
137 HZ3 LYS 15 3HZ LYS 15 0.673 -6.785 1.570
138 H CYS 16 HN CYS 16 4.408 -1.804 3.218
139 HA CYS 16 HA CYS 16 6.306 -0.238 1.662
140 HB2 CYS 16 2HB CYS 16 6.379 -1.075 4.566
141 HB3 CYS 16 1HB CYS 16 7.668 -0.207 3.741
142 H ARG 17 HN ARG 17 7.700 -1.187 0.497
143 HA ARG 17 HA ARG 17 8.545 -3.931 1.134
144 HB2 ARG 17 2HB ARG 17 8.556 -2.544 -1.564
145 HB3 ARG 17 1HB ARG 17 8.983 -4.221 -1.257
146 HG2 ARG 17 2HG ARG 17 6.248 -2.996 -0.946
147 HG3 ARG 17 1HG ARG 17 6.779 -4.020 -2.284
148 HD2 ARG 17 2HD ARG 17 6.681 -4.848 0.606
149 HD3 ARG 17 1HD ARG 17 5.413 -5.196 -0.568
150 HE ARG 17 HE ARG 17 7.783 -6.148 -1.611
151 HH11 ARG 17 1HH1 ARG 17 5.853 -6.787 1.283
152 HH12 ARG 17 2HH1 ARG 17 6.166 -8.458 1.310
153 HH21 ARG 17 1HH2 ARG 17 8.257 -8.465 -1.553
154 HH22 ARG 17 2HH2 ARG 17 7.561 -9.426 -0.345
155 H GLY 18 HN GLY 18 10.444 -3.723 2.129
156 HA2 GLY 18 2HA GLY 18 12.639 -3.137 2.468
157 HA3 GLY 18 1HA GLY 18 12.595 -2.293 0.916
Start of MODEL 19
1 H1 ARG 1 HN ARG 1 12.297 -0.702 0.263
2 HA ARG 1 HA ARG 1 12.374 0.919 2.729
3 HB2 ARG 1 2HB ARG 1 14.613 0.585 1.593
4 HB3 ARG 1 1HB ARG 1 13.956 1.411 0.196
5 HG2 ARG 1 2HG ARG 1 13.634 3.432 1.533
6 HG3 ARG 1 1HG ARG 1 14.300 2.600 2.938
7 HD2 ARG 1 2HD ARG 1 15.741 3.118 0.340
8 HD3 ARG 1 1HD ARG 1 15.969 4.016 1.839
9 HE ARG 1 HE ARG 1 16.481 1.522 2.609
10 HH11 ARG 1 1HH1 ARG 1 17.670 3.369 -0.171
11 HH12 ARG 1 2HH1 ARG 1 19.185 2.595 -0.228
12 HH21 ARG 1 1HH2 ARG 1 18.585 0.460 2.544
13 HH22 ARG 1 2HH2 ARG 1 19.720 0.887 1.366
14 H TRP 2 HN TRP 2 10.682 0.147 0.082
15 HA TRP 2 HA TRP 2 9.872 2.853 -0.620
16 HB2 TRP 2 2HB TRP 2 10.617 1.511 -2.480
17 HB3 TRP 2 1HB TRP 2 9.564 0.191 -2.001
18 HD1 TRP 2 1HD TRP 2 8.674 3.911 -2.524
19 HE1 TRP 2 1HE TRP 2 6.760 4.021 -4.262
20 HE3 TRP 2 3HE TRP 2 8.343 -1.039 -3.652
21 HZ2 TRP 2 2HZ TRP 2 5.319 2.234 -5.886
22 HZ3 TRP 2 3HZ TRP 2 6.674 -1.765 -5.316
23 HH2 TRP 2 2HH TRP 2 5.201 -0.149 -6.403
24 H CYS 3 HN CYS 3 8.103 3.571 0.334
25 HA CYS 3 HA CYS 3 6.062 1.644 1.163
26 HB2 CYS 3 2HB CYS 3 6.680 4.390 2.277
27 HB3 CYS 3 1HB CYS 3 5.324 3.387 2.780
28 H PHE 4 HN PHE 4 4.292 1.637 0.062
29 HA PHE 4 HA PHE 4 3.490 4.032 -1.425
30 HB2 PHE 4 2HB PHE 4 2.775 2.473 -3.262
31 HB3 PHE 4 1HB PHE 4 4.517 2.556 -3.036
32 HD1 PHE 4 1HD PHE 4 5.701 0.679 -1.944
33 HD2 PHE 4 2HD PHE 4 1.580 0.430 -2.952
34 HE1 PHE 4 1HE PHE 4 5.800 -1.761 -1.717
35 HE2 PHE 4 2HE PHE 4 1.676 -2.018 -2.728
36 HZ PHE 4 HZ PHE 4 3.782 -3.115 -2.108
37 H ARG 5 HN ARG 5 1.178 4.094 -1.844
38 HA ARG 5 HA ARG 5 -0.283 2.525 0.149
39 HB2 ARG 5 2HB ARG 5 -0.486 4.899 0.605
40 HB3 ARG 5 1HB ARG 5 -0.962 5.216 -1.058
41 HG2 ARG 5 2HG ARG 5 -3.002 3.861 -0.706
42 HG3 ARG 5 1HG ARG 5 -2.530 3.642 0.978
43 HD2 ARG 5 2HD ARG 5 -2.952 6.322 -0.305
44 HD3 ARG 5 1HD ARG 5 -4.225 5.444 0.531
45 HE ARG 5 HE ARG 5 -2.335 5.515 2.385
46 HH11 ARG 5 1HH1 ARG 5 -3.460 8.102 0.267
47 HH12 ARG 5 2HH1 ARG 5 -3.334 9.332 1.421
48 HH21 ARG 5 1HH2 ARG 5 -2.160 7.193 4.007
49 HH22 ARG 5 2HH2 ARG 5 -2.562 8.797 3.602
50 H VAL 6 HN VAL 6 -1.686 1.136 -0.512
51 HA VAL 6 HA VAL 6 -2.579 1.265 -3.309
52 HB VAL 6 HB VAL 6 -2.535 -1.146 -1.460
53 HG11 VAL 6 1HG1 VAL 6 -4.346 -1.267 -3.063
54 HG12 VAL 6 2HG1 VAL 6 -3.094 -2.441 -3.466
55 HG13 VAL 6 3HG1 VAL 6 -3.229 -0.941 -4.387
56 HG21 VAL 6 1HG2 VAL 6 -0.757 -0.522 -3.815
57 HG22 VAL 6 2HG2 VAL 6 -0.766 -2.029 -2.898
58 HG23 VAL 6 3HG2 VAL 6 -0.275 -0.524 -2.118
59 H CYS 7 HN CYS 7 -4.708 1.565 -3.598
60 HA CYS 7 HA CYS 7 -6.464 1.122 -1.311
61 HB2 CYS 7 2HB CYS 7 -6.694 3.225 -3.474
62 HB3 CYS 7 1HB CYS 7 -7.905 2.923 -2.232
63 H TYR 8 HN TYR 8 -7.899 -0.364 -1.626
64 HA TYR 8 HA TYR 8 -8.740 -0.886 -4.357
65 HB2 TYR 8 2HB TYR 8 -8.700 -3.325 -3.984
66 HB3 TYR 8 1HB TYR 8 -7.116 -2.600 -3.727
67 HD1 TYR 8 1HD TYR 8 -6.251 -2.376 -1.440
68 HD2 TYR 8 2HD TYR 8 -9.800 -4.512 -2.237
69 HE1 TYR 8 1HE TYR 8 -6.062 -3.490 0.759
70 HE2 TYR 8 2HE TYR 8 -9.654 -5.631 -0.057
71 HH TYR 8 HH TYR 8 -7.459 -4.578 2.363
72 H ARG 9 HN ARG 9 -10.753 -0.355 -4.485
73 HA ARG 9 HA ARG 9 -12.967 -0.167 -4.107
74 HB2 ARG 9 2HB ARG 9 -12.863 -2.637 -3.942
75 HB3 ARG 9 1HB ARG 9 -12.487 -2.527 -2.238
76 HG2 ARG 9 2HG ARG 9 -14.684 -1.744 -1.730
77 HG3 ARG 9 1HG ARG 9 -15.074 -1.547 -3.433
78 HD2 ARG 9 2HD ARG 9 -16.078 -3.579 -2.440
79 HD3 ARG 9 1HD ARG 9 -14.983 -3.937 -3.769
80 HE ARG 9 HE ARG 9 -13.327 -4.562 -2.135
81 HH11 ARG 9 1HH1 ARG 9 -16.657 -4.353 -0.921
82 HH12 ARG 9 2HH1 ARG 9 -16.469 -5.556 0.257
83 HH21 ARG 9 1HH2 ARG 9 -13.066 -6.265 -0.485
84 HH22 ARG 9 2HH2 ARG 9 -14.392 -6.667 0.505
85 H GLY 10 HN GLY 10 -10.923 1.182 -2.419
86 HA2 GLY 10 2HA GLY 10 -11.551 3.105 -1.102
87 HA3 GLY 10 1HA GLY 10 -12.779 2.103 -0.337
88 H ILE 11 HN ILE 11 -10.597 -0.096 -0.270
89 HA ILE 11 HA ILE 11 -9.689 0.634 2.379
90 HB ILE 11 HB ILE 11 -9.082 -1.889 0.788
91 HG12 ILE 11 2HG1 ILE 11 -11.491 -1.673 1.230
92 HG13 ILE 11 1HG1 ILE 11 -10.798 -2.964 2.206
93 HG21 ILE 11 1HG2 ILE 11 -8.717 -1.289 3.729
94 HG22 ILE 11 2HG2 ILE 11 -7.431 -1.465 2.537
95 HG23 ILE 11 3HG2 ILE 11 -8.439 -2.851 2.960
96 HD11 ILE 11 1HD1 ILE 11 -12.394 -1.639 3.490
97 HD12 ILE 11 2HD1 ILE 11 -11.443 -0.183 3.162
98 HD13 ILE 11 3HD1 ILE 11 -10.760 -1.470 4.143
99 H CYS 12 HN CYS 12 -8.041 1.845 2.631
100 HA CYS 12 HA CYS 12 -5.895 1.779 0.660
101 HB2 CYS 12 2HB CYS 12 -6.905 3.876 2.525
102 HB3 CYS 12 1HB CYS 12 -5.373 4.062 1.657
103 H TYR 13 HN TYR 13 -3.941 1.157 1.282
104 HA TYR 13 HA TYR 13 -3.248 1.282 4.093
105 HB2 TYR 13 2HB TYR 13 -2.438 -1.033 4.158
106 HB3 TYR 13 1HB TYR 13 -4.154 -0.991 3.809
107 HD1 TYR 13 1HD TYR 13 -0.932 -2.140 2.727
108 HD2 TYR 13 2HD TYR 13 -4.893 -1.384 1.388
109 HE1 TYR 13 1HE TYR 13 -0.545 -3.586 0.776
110 HE2 TYR 13 2HE TYR 13 -4.516 -2.819 -0.556
111 HH TYR 13 HH TYR 13 -2.545 -3.665 -1.921
112 H ARG 14 HN ARG 14 -1.160 1.680 4.428
113 HA ARG 14 HA ARG 14 0.493 2.209 2.097
114 HB2 ARG 14 2HB ARG 14 0.333 3.875 3.968
115 HB3 ARG 14 1HB ARG 14 1.069 2.689 5.033
116 HG2 ARG 14 2HG ARG 14 2.772 4.196 4.381
117 HG3 ARG 14 1HG ARG 14 3.054 2.701 3.497
118 HD2 ARG 14 2HD ARG 14 3.361 4.605 2.026
119 HD3 ARG 14 1HD ARG 14 1.948 3.687 1.524
120 HE ARG 14 HE ARG 14 1.047 5.652 3.239
121 HH11 ARG 14 1HH1 ARG 14 2.688 5.592 0.073
122 HH12 ARG 14 2HH1 ARG 14 2.016 7.078 -0.425
123 HH21 ARG 14 1HH2 ARG 14 0.160 7.701 2.509
124 HH22 ARG 14 2HH2 ARG 14 0.565 8.292 0.976
125 H LYS 15 HN LYS 15 1.608 0.556 1.387
126 HA LYS 15 HA LYS 15 2.447 -1.513 3.274
127 HB2 LYS 15 2HB LYS 15 0.934 -2.157 1.386
128 HB3 LYS 15 1HB LYS 15 2.176 -1.637 0.265
129 HG2 LYS 15 2HG LYS 15 2.161 -4.056 0.510
130 HG3 LYS 15 1HG LYS 15 3.676 -3.370 1.098
131 HD2 LYS 15 2HD LYS 15 2.968 -3.596 3.379
132 HD3 LYS 15 1HD LYS 15 1.343 -4.062 2.878
133 HE2 LYS 15 2HE LYS 15 3.867 -5.626 2.327
134 HE3 LYS 15 1HE LYS 15 2.723 -5.977 3.622
135 HZ1 LYS 15 1HZ LYS 15 2.315 -7.401 1.739
136 HZ2 LYS 15 2HZ LYS 15 2.131 -6.092 0.697
137 HZ3 LYS 15 3HZ LYS 15 1.018 -6.359 1.935
138 H CYS 16 HN CYS 16 4.601 -1.764 3.562
139 HA CYS 16 HA CYS 16 6.307 -0.216 1.786
140 HB2 CYS 16 2HB CYS 16 6.846 -1.193 4.591
141 HB3 CYS 16 1HB CYS 16 7.972 -0.275 3.596
142 H ARG 17 HN ARG 17 7.737 -1.132 0.631
143 HA ARG 17 HA ARG 17 8.260 -3.981 0.973
144 HB2 ARG 17 2HB ARG 17 6.759 -3.604 -0.939
145 HB3 ARG 17 1HB ARG 17 7.859 -2.404 -1.585
146 HG2 ARG 17 2HG ARG 17 9.484 -4.084 -2.089
147 HG3 ARG 17 1HG ARG 17 8.524 -5.321 -1.268
148 HD2 ARG 17 2HD ARG 17 6.756 -5.074 -2.896
149 HD3 ARG 17 1HD ARG 17 7.602 -3.736 -3.668
150 HE ARG 17 HE ARG 17 9.410 -5.565 -3.981
151 HH11 ARG 17 1HH1 ARG 17 5.914 -6.071 -4.308
152 HH12 ARG 17 2HH1 ARG 17 6.067 -7.257 -5.519
153 HH21 ARG 17 1HH2 ARG 17 9.610 -7.157 -5.642
154 HH22 ARG 17 2HH2 ARG 17 8.230 -7.888 -6.306
155 H GLY 18 HN GLY 18 10.122 -3.675 2.049
156 HA2 GLY 18 2HA GLY 18 12.429 -3.572 2.082
157 HA3 GLY 18 1HA GLY 18 12.397 -2.847 0.479
Start of MODEL 20
1 H1 ARG 1 HN ARG 1 12.800 0.199 0.438
2 HA ARG 1 HA ARG 1 12.292 1.709 2.912
3 HB2 ARG 1 2HB ARG 1 14.130 2.392 0.622
4 HB3 ARG 1 1HB ARG 1 13.720 3.508 1.916
5 HG2 ARG 1 2HG ARG 1 14.770 1.966 3.520
6 HG3 ARG 1 1HG ARG 1 15.198 0.898 2.179
7 HD2 ARG 1 2HD ARG 1 16.528 2.655 1.173
8 HD3 ARG 1 1HD ARG 1 16.050 3.771 2.449
9 HE ARG 1 HE ARG 1 17.366 1.358 3.326
10 HH11 ARG 1 1HH1 ARG 1 17.798 4.720 2.311
11 HH12 ARG 1 2HH1 ARG 1 19.240 4.945 3.183
12 HH21 ARG 1 1HH2 ARG 1 19.344 1.644 4.490
13 HH22 ARG 1 2HH2 ARG 1 20.166 3.139 4.450
14 H TRP 2 HN TRP 2 10.875 0.723 0.272
15 HA TRP 2 HA TRP 2 9.645 3.316 -0.467
16 HB2 TRP 2 2HB TRP 2 10.879 2.000 -2.240
17 HB3 TRP 2 1HB TRP 2 9.649 0.768 -2.023
18 HD1 TRP 2 1HD TRP 2 7.322 1.206 -2.870
19 HE1 TRP 2 1HE TRP 2 6.271 2.949 -4.516
20 HE3 TRP 2 3HE TRP 2 11.114 4.531 -2.922
21 HZ2 TRP 2 2HZ TRP 2 7.027 5.445 -5.622
22 HZ3 TRP 2 3HZ TRP 2 10.903 6.579 -4.266
23 HH2 TRP 2 2HH TRP 2 8.903 7.021 -5.580
24 H CYS 3 HN CYS 3 7.646 3.646 -0.025
25 HA CYS 3 HA CYS 3 6.038 1.330 0.732
26 HB2 CYS 3 2HB CYS 3 5.908 4.131 1.853
27 HB3 CYS 3 1HB CYS 3 4.823 2.810 2.270
28 H PHE 4 HN PHE 4 4.096 1.144 -0.171
29 HA PHE 4 HA PHE 4 3.159 3.328 -1.828
30 HB2 PHE 4 2HB PHE 4 2.420 1.614 -3.529
31 HB3 PHE 4 1HB PHE 4 4.158 1.812 -3.406
32 HD1 PHE 4 1HD PHE 4 5.531 0.038 -2.370
33 HD2 PHE 4 2HD PHE 4 1.349 -0.449 -2.996
34 HE1 PHE 4 1HE PHE 4 5.776 -2.396 -2.089
35 HE2 PHE 4 2HE PHE 4 1.589 -2.874 -2.709
36 HZ PHE 4 HZ PHE 4 3.805 -3.850 -2.255
37 H ARG 5 HN ARG 5 0.888 3.277 -2.180
38 HA ARG 5 HA ARG 5 -0.446 2.129 0.157
39 HB2 ARG 5 2HB ARG 5 -0.369 4.554 0.114
40 HB3 ARG 5 1HB ARG 5 -1.095 4.565 -1.484
41 HG2 ARG 5 2HG ARG 5 -3.123 3.548 -0.537
42 HG3 ARG 5 1HG ARG 5 -2.389 3.640 1.067
43 HD2 ARG 5 2HD ARG 5 -2.866 5.979 -0.757
44 HD3 ARG 5 1HD ARG 5 -3.912 5.521 0.584
45 HE ARG 5 HE ARG 5 -1.705 5.795 1.900
46 HH11 ARG 5 1HH1 ARG 5 -2.795 7.845 -0.768
47 HH12 ARG 5 2HH1 ARG 5 -2.051 9.257 -0.175
48 HH21 ARG 5 1HH2 ARG 5 -0.738 7.734 2.748
49 HH22 ARG 5 2HH2 ARG 5 -0.842 9.192 1.881
50 H VAL 6 HN VAL 6 -1.611 0.433 -0.343
51 HA VAL 6 HA VAL 6 -2.687 0.159 -3.026
52 HB VAL 6 HB VAL 6 -2.800 -1.790 -0.701
53 HG11 VAL 6 1HG1 VAL 6 -3.395 -3.448 -2.420
54 HG12 VAL 6 2HG1 VAL 6 -3.434 -2.160 -3.625
55 HG13 VAL 6 3HG1 VAL 6 -4.588 -2.157 -2.294
56 HG21 VAL 6 1HG2 VAL 6 -0.496 -1.424 -1.416
57 HG22 VAL 6 2HG2 VAL 6 -0.951 -1.750 -3.088
58 HG23 VAL 6 3HG2 VAL 6 -1.043 -3.034 -1.884
59 H CYS 7 HN CYS 7 -4.591 1.019 -3.383
60 HA CYS 7 HA CYS 7 -6.549 1.037 -1.203
61 HB2 CYS 7 2HB CYS 7 -6.330 2.873 -3.599
62 HB3 CYS 7 1HB CYS 7 -7.614 2.912 -2.400
63 H TYR 8 HN TYR 8 -8.123 -0.320 -1.460
64 HA TYR 8 HA TYR 8 -8.966 -0.824 -4.191
65 HB2 TYR 8 2HB TYR 8 -9.363 -3.171 -3.742
66 HB3 TYR 8 1HB TYR 8 -7.727 -2.774 -3.237
67 HD1 TYR 8 1HD TYR 8 -10.935 -4.019 -2.227
68 HD2 TYR 8 2HD TYR 8 -7.211 -2.597 -0.815
69 HE1 TYR 8 1HE TYR 8 -11.402 -5.032 -0.054
70 HE2 TYR 8 2HE TYR 8 -7.654 -3.611 1.394
71 HH TYR 8 HH TYR 8 -9.473 -4.377 2.714
72 H ARG 9 HN ARG 9 -10.803 0.058 -4.481
73 HA ARG 9 HA ARG 9 -12.919 0.791 -4.272
74 HB2 ARG 9 2HB ARG 9 -13.209 -1.312 -2.112
75 HB3 ARG 9 1HB ARG 9 -14.509 -0.566 -3.030
76 HG2 ARG 9 2HG ARG 9 -13.560 -1.590 -5.095
77 HG3 ARG 9 1HG ARG 9 -12.384 -2.421 -4.082
78 HD2 ARG 9 2HD ARG 9 -14.276 -3.426 -2.823
79 HD3 ARG 9 1HD ARG 9 -15.374 -2.711 -3.999
80 HE ARG 9 HE ARG 9 -13.245 -4.471 -4.930
81 HH11 ARG 9 1HH1 ARG 9 -16.723 -3.890 -4.579
82 HH12 ARG 9 2HH1 ARG 9 -17.195 -5.312 -5.376
83 HH21 ARG 9 1HH2 ARG 9 -13.893 -6.453 -6.015
84 HH22 ARG 9 2HH2 ARG 9 -15.541 -6.808 -6.197
85 H GLY 10 HN GLY 10 -10.794 1.919 -2.614
86 HA2 GLY 10 2HA GLY 10 -11.043 3.963 -1.396
87 HA3 GLY 10 1HA GLY 10 -12.518 3.318 -0.688
88 H ILE 11 HN ILE 11 -10.811 0.712 -0.395
89 HA ILE 11 HA ILE 11 -9.938 1.449 2.257
90 HB ILE 11 HB ILE 11 -10.037 -1.298 0.962
91 HG12 ILE 11 2HG1 ILE 11 -12.274 -0.359 1.258
92 HG13 ILE 11 1HG1 ILE 11 -12.009 -1.664 2.406
93 HG21 ILE 11 1HG2 ILE 11 -9.555 -0.516 3.844
94 HG22 ILE 11 2HG2 ILE 11 -8.360 -1.199 2.740
95 HG23 ILE 11 3HG2 ILE 11 -9.751 -2.163 3.244
96 HD11 ILE 11 1HD1 ILE 11 -11.568 -0.009 4.162
97 HD12 ILE 11 2HD1 ILE 11 -13.175 0.187 3.459
98 HD13 ILE 11 3HD1 ILE 11 -11.869 1.285 3.006
99 H CYS 12 HN CYS 12 -8.152 2.369 2.315
100 HA CYS 12 HA CYS 12 -5.898 1.565 0.628
101 HB2 CYS 12 2HB CYS 12 -6.436 3.984 2.295
102 HB3 CYS 12 1HB CYS 12 -4.954 3.733 1.359
103 H TYR 13 HN TYR 13 -4.151 0.640 1.455
104 HA TYR 13 HA TYR 13 -3.478 1.026 4.239
105 HB2 TYR 13 2HB TYR 13 -2.913 -1.400 4.494
106 HB3 TYR 13 1HB TYR 13 -4.631 -1.114 4.289
107 HD1 TYR 13 1HD TYR 13 -1.667 -2.696 2.933
108 HD2 TYR 13 2HD TYR 13 -5.732 -1.742 2.119
109 HE1 TYR 13 1HE TYR 13 -1.705 -4.379 1.139
110 HE2 TYR 13 2HE TYR 13 -5.770 -3.429 0.337
111 HH TYR 13 HH TYR 13 -3.445 -5.787 -0.036
112 H ARG 14 HN ARG 14 -1.202 0.719 4.643
113 HA ARG 14 HA ARG 14 0.319 1.382 2.237
114 HB2 ARG 14 2HB ARG 14 0.322 2.993 4.124
115 HB3 ARG 14 1HB ARG 14 1.060 1.764 5.135
116 HG2 ARG 14 2HG ARG 14 3.009 1.721 3.626
117 HG3 ARG 14 1HG ARG 14 2.276 3.012 2.678
118 HD2 ARG 14 2HD ARG 14 3.080 3.168 5.587
119 HD3 ARG 14 1HD ARG 14 3.948 3.888 4.235
120 HE ARG 14 HE ARG 14 1.186 4.707 4.595
121 HH11 ARG 14 1HH1 ARG 14 4.609 5.526 5.205
122 HH12 ARG 14 2HH1 ARG 14 4.289 7.162 5.503
123 HH21 ARG 14 1HH2 ARG 14 0.781 6.956 5.048
124 HH22 ARG 14 2HH2 ARG 14 2.067 8.008 5.395
125 H LYS 15 HN LYS 15 1.597 -0.068 1.391
126 HA LYS 15 HA LYS 15 2.758 -2.130 3.113
127 HB2 LYS 15 2HB LYS 15 2.135 -2.167 0.156
128 HB3 LYS 15 1HB LYS 15 3.203 -3.341 0.909
129 HG2 LYS 15 2HG LYS 15 0.303 -2.906 1.602
130 HG3 LYS 15 1HG LYS 15 0.946 -4.197 0.583
131 HD2 LYS 15 2HD LYS 15 2.294 -5.000 2.484
132 HD3 LYS 15 1HD LYS 15 1.586 -3.749 3.502
133 HE2 LYS 15 2HE LYS 15 0.433 -5.811 3.922
134 HE3 LYS 15 1HE LYS 15 -0.646 -4.724 3.061
135 HZ1 LYS 15 1HZ LYS 15 0.860 -6.993 1.858
136 HZ2 LYS 15 2HZ LYS 15 -0.140 -5.966 0.994
137 HZ3 LYS 15 3HZ LYS 15 -0.779 -6.960 2.200
138 H CYS 16 HN CYS 16 4.905 -2.258 3.255
139 HA CYS 16 HA CYS 16 6.441 -0.361 1.654
140 HB2 CYS 16 2HB CYS 16 6.855 -1.170 4.536
141 HB3 CYS 16 1HB CYS 16 7.958 -0.167 3.604
142 H ARG 17 HN ARG 17 8.157 -1.119 0.627
143 HA ARG 17 HA ARG 17 9.166 -3.728 1.415
144 HB2 ARG 17 2HB ARG 17 7.757 -3.996 -0.613
145 HB3 ARG 17 1HB ARG 17 8.750 -2.802 -1.437
146 HG2 ARG 17 2HG ARG 17 10.676 -4.227 -1.293
147 HG3 ARG 17 1HG ARG 17 9.776 -5.401 -0.334
148 HD2 ARG 17 2HD ARG 17 8.255 -5.750 -2.225
149 HD3 ARG 17 1HD ARG 17 9.194 -4.604 -3.179
150 HE ARG 17 HE ARG 17 11.107 -6.171 -2.713
151 HH11 ARG 17 1HH1 ARG 17 7.772 -7.337 -2.928
152 HH12 ARG 17 2HH1 ARG 17 8.169 -8.836 -3.604
153 HH21 ARG 17 1HH2 ARG 17 11.681 -8.276 -3.631
154 HH22 ARG 17 2HH2 ARG 17 10.455 -9.379 -4.033
155 H GLY 18 HN GLY 18 11.067 -3.288 2.187
156 HA2 GLY 18 2HA GLY 18 13.277 -2.641 2.176
157 HA3 GLY 18 1HA GLY 18 13.016 -1.917 0.588