Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641541 | 6pin RC | 30619 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HN LYS 1 11.651 -0.235 1.731
2 HA LYS 1 HA LYS 1 11.690 2.225 3.374
3 HB2 LYS 1 2HB LYS 1 13.400 1.569 0.989
4 HB3 LYS 1 1HB LYS 1 13.506 3.018 1.978
5 HG2 LYS 1 2HG LYS 1 14.070 1.574 3.903
6 HG3 LYS 1 1HG LYS 1 14.121 0.208 2.806
7 HD2 LYS 1 2HD LYS 1 15.849 2.672 2.545
8 HD3 LYS 1 1HD LYS 1 16.372 1.129 3.214
9 HE2 LYS 1 2HE LYS 1 15.918 0.045 1.060
10 HE3 LYS 1 1HE LYS 1 15.371 1.585 0.415
11 HZ1 LYS 1 1HZ LYS 1 17.632 1.081 -0.233
12 HZ2 LYS 1 2HZ LYS 1 18.124 1.047 1.387
13 HZ3 LYS 1 3HZ LYS 1 17.569 2.479 0.692
14 H TRP 2 HN TRP 2 10.615 0.657 0.566
15 HA TRP 2 HA TRP 2 9.907 3.125 -0.774
16 HB2 TRP 2 2HB TRP 2 10.808 1.226 -2.097
17 HB3 TRP 2 1HB TRP 2 9.405 0.272 -1.635
18 HD1 TRP 2 1HD TRP 2 9.522 3.907 -3.016
19 HE1 TRP 2 1HE TRP 2 8.049 4.010 -5.111
20 HE3 TRP 2 3HE TRP 2 8.189 -1.022 -3.311
21 HZ2 TRP 2 2HZ TRP 2 6.528 2.245 -6.693
22 HZ3 TRP 2 3HZ TRP 2 6.725 -1.729 -5.162
23 HH2 TRP 2 2HH TRP 2 5.919 -0.124 -6.815
24 H CYS 3 HN CYS 3 8.068 4.087 -0.613
25 HA CYS 3 HA CYS 3 5.871 2.695 0.735
26 HB2 CYS 3 2HB CYS 3 6.496 5.644 0.563
27 HB3 CYS 3 1HB CYS 3 5.151 4.914 1.443
28 H PHE 4 HN PHE 4 4.096 2.340 -0.411
29 HA PHE 4 HA PHE 4 3.604 4.006 -2.725
30 HB2 PHE 4 2HB PHE 4 3.195 2.041 -4.174
31 HB3 PHE 4 1HB PHE 4 4.868 2.176 -3.664
32 HD1 PHE 4 1HD PHE 4 5.721 0.619 -1.892
33 HD2 PHE 4 2HD PHE 4 1.908 0.127 -3.706
34 HE1 PHE 4 1HE PHE 4 5.666 -1.719 -1.139
35 HE2 PHE 4 2HE PHE 4 1.852 -2.215 -2.953
36 HZ PHE 4 HZ PHE 4 3.731 -3.138 -1.670
37 H ARG 5 HN ARG 5 1.510 3.697 -3.649
38 HA ARG 5 HA ARG 5 -0.540 3.522 -1.627
39 HB2 ARG 5 2HB ARG 5 -0.617 5.306 -3.272
40 HB3 ARG 5 1HB ARG 5 -0.587 4.138 -4.583
41 HG2 ARG 5 2HG ARG 5 -2.785 3.317 -3.900
42 HG3 ARG 5 1HG ARG 5 -2.807 4.489 -2.582
43 HD2 ARG 5 2HD ARG 5 -2.741 6.310 -4.134
44 HD3 ARG 5 1HD ARG 5 -2.554 5.192 -5.493
45 HE ARG 5 HE ARG 5 -4.797 4.326 -4.658
46 HH11 ARG 5 1HH1 ARG 5 -3.850 7.757 -4.668
47 HH12 ARG 5 2HH1 ARG 5 -5.442 8.340 -4.775
48 HH21 ARG 5 1HH2 ARG 5 -6.975 5.144 -4.836
49 HH22 ARG 5 2HH2 ARG 5 -7.268 6.819 -4.881
50 H VAL 6 HN VAL 6 -1.727 1.767 -1.242
51 HA VAL 6 HA VAL 6 -1.592 -0.447 -3.163
52 HB VAL 6 HB VAL 6 -2.160 -0.645 -0.196
53 HG11 VAL 6 1HG1 VAL 6 -1.736 -3.040 -0.506
54 HG12 VAL 6 2HG1 VAL 6 -1.491 -2.765 -2.231
55 HG13 VAL 6 3HG1 VAL 6 -3.071 -2.466 -1.507
56 HG21 VAL 6 1HG2 VAL 6 0.114 -1.543 0.086
57 HG22 VAL 6 2HG2 VAL 6 0.131 0.132 -0.465
58 HG23 VAL 6 3HG2 VAL 6 0.457 -1.172 -1.603
59 H CYS 7 HN CYS 7 -3.464 -0.667 -4.173
60 HA CYS 7 HA CYS 7 -5.856 0.132 -2.730
61 HB2 CYS 7 2HB CYS 7 -5.352 0.025 -5.704
62 HB3 CYS 7 1HB CYS 7 -6.908 0.375 -4.950
63 H TYR 8 HN TYR 8 -6.939 -1.382 -1.994
64 HA TYR 8 HA TYR 8 -6.879 -4.019 -3.254
65 HB2 TYR 8 2HB TYR 8 -5.792 -4.001 -1.070
66 HB3 TYR 8 1HB TYR 8 -7.183 -3.158 -0.402
67 HD1 TYR 8 1HD TYR 8 -6.259 -6.405 -2.007
68 HD2 TYR 8 2HD TYR 8 -8.862 -4.324 0.632
69 HE1 TYR 8 1HE TYR 8 -7.292 -8.528 -1.359
70 HE2 TYR 8 2HE TYR 8 -9.897 -6.419 1.290
71 HH TYR 8 HH TYR 8 -8.585 -9.419 0.604
72 H ARG 9 HN ARG 9 -8.606 -3.910 -4.467
73 HA ARG 9 HA ARG 9 -10.734 -3.782 -5.193
74 HB2 ARG 9 2HB ARG 9 -11.188 -4.701 -2.368
75 HB3 ARG 9 1HB ARG 9 -12.520 -4.488 -3.496
76 HG2 ARG 9 2HG ARG 9 -11.439 -6.079 -5.034
77 HG3 ARG 9 1HG ARG 9 -10.169 -6.332 -3.837
78 HD2 ARG 9 2HD ARG 9 -13.086 -6.772 -3.269
79 HD3 ARG 9 1HD ARG 9 -12.024 -8.035 -3.876
80 HE ARG 9 HE ARG 9 -10.669 -7.617 -1.834
81 HH11 ARG 9 1HH1 ARG 9 -14.153 -6.859 -1.787
82 HH12 ARG 9 2HH1 ARG 9 -14.331 -7.206 -0.144
83 HH21 ARG 9 1HH2 ARG 9 -10.978 -8.165 0.435
84 HH22 ARG 9 2HH2 ARG 9 -12.503 -7.956 1.148
85 H GLY 10 HN GLY 10 -9.665 -1.363 -4.595
86 HA2 GLY 10 2HA GLY 10 -10.685 0.713 -4.984
87 HA3 GLY 10 1HA GLY 10 -12.143 0.131 -4.195
88 H ILE 11 HN ILE 11 -10.151 -0.921 -2.062
89 HA ILE 11 HA ILE 11 -10.214 1.486 -0.440
90 HB ILE 11 HB ILE 11 -9.347 -1.341 0.247
91 HG12 ILE 11 2HG1 ILE 11 -11.951 0.065 0.890
92 HG13 ILE 11 1HG1 ILE 11 -11.750 -1.171 -0.348
93 HG21 ILE 11 1HG2 ILE 11 -8.315 0.300 1.711
94 HG22 ILE 11 2HG2 ILE 11 -9.535 -0.617 2.597
95 HG23 ILE 11 3HG2 ILE 11 -9.887 1.022 2.050
96 HD11 ILE 11 1HD1 ILE 11 -11.134 -2.785 1.379
97 HD12 ILE 11 2HD1 ILE 11 -12.733 -2.096 1.667
98 HD13 ILE 11 3HD1 ILE 11 -11.348 -1.538 2.609
99 H CYS 12 HN CYS 12 -8.510 2.786 -0.746
100 HA CYS 12 HA CYS 12 -5.925 1.510 -1.257
101 HB2 CYS 12 2HB CYS 12 -6.614 4.398 -1.763
102 HB3 CYS 12 1HB CYS 12 -5.165 3.552 -2.220
103 H TYR 13 HN TYR 13 -4.328 1.730 0.027
104 HA TYR 13 HA TYR 13 -4.243 3.832 2.010
105 HB2 TYR 13 2HB TYR 13 -3.374 1.988 3.652
106 HB3 TYR 13 1HB TYR 13 -5.107 2.168 3.436
107 HD1 TYR 13 1HD TYR 13 -2.190 0.104 2.360
108 HD2 TYR 13 2HD TYR 13 -6.411 0.346 2.750
109 HE1 TYR 13 1HE TYR 13 -2.367 -2.270 1.814
110 HE2 TYR 13 2HE TYR 13 -6.609 -2.030 2.198
111 HH TYR 13 HH TYR 13 -5.267 -3.744 0.976
112 H ARG 14 HN ARG 14 -2.059 4.243 2.709
113 HA ARG 14 HA ARG 14 -0.178 3.395 0.641
114 HB2 ARG 14 2HB ARG 14 -0.542 5.823 0.861
115 HB3 ARG 14 1HB ARG 14 -0.059 5.743 2.542
116 HG2 ARG 14 2HG ARG 14 1.864 4.875 0.419
117 HG3 ARG 14 1HG ARG 14 1.603 6.592 0.711
118 HD2 ARG 14 2HD ARG 14 2.498 4.559 2.765
119 HD3 ARG 14 1HD ARG 14 3.512 5.776 1.977
120 HE ARG 14 HE ARG 14 1.253 6.916 3.197
121 HH11 ARG 14 1HH1 ARG 14 4.481 5.642 4.053
122 HH12 ARG 14 2HH1 ARG 14 4.655 6.717 5.361
123 HH21 ARG 14 1HH2 ARG 14 1.562 8.330 4.994
124 HH22 ARG 14 2HH2 ARG 14 2.991 8.238 5.926
125 H ARG 15 HN ARG 15 1.385 2.044 1.072
126 HA ARG 15 HA ARG 15 1.981 1.493 3.895
127 HB2 ARG 15 2HB ARG 15 1.668 -0.451 1.613
128 HB3 ARG 15 1HB ARG 15 2.337 -0.887 3.190
129 HG2 ARG 15 2HG ARG 15 -0.369 0.241 2.688
130 HG3 ARG 15 1HG ARG 15 -0.052 -1.498 2.812
131 HD2 ARG 15 2HD ARG 15 0.446 0.575 4.959
132 HD3 ARG 15 1HD ARG 15 -0.933 -0.518 4.904
133 HE ARG 15 HE ARG 15 1.264 -2.127 4.789
134 HH11 ARG 15 1HH1 ARG 15 0.186 0.350 7.061
135 HH12 ARG 15 2HH1 ARG 15 0.772 -0.455 8.435
136 HH21 ARG 15 1HH2 ARG 15 2.109 -3.224 6.704
137 HH22 ARG 15 2HH2 ARG 15 1.870 -2.494 8.227
138 H CYS 16 HN CYS 16 4.075 1.051 4.373
139 HA CYS 16 HA CYS 16 5.986 1.550 2.234
140 HB2 CYS 16 2HB CYS 16 6.286 1.859 5.222
141 HB3 CYS 16 1HB CYS 16 7.568 2.117 4.045
142 H ARG 17 HN ARG 17 6.817 -0.157 1.447
143 HA ARG 17 HA ARG 17 7.041 -2.532 3.122
144 HB2 ARG 17 2HB ARG 17 5.811 -2.732 0.951
145 HB3 ARG 17 1HB ARG 17 7.271 -2.223 0.119
146 HG2 ARG 17 2HG ARG 17 6.986 -4.610 -0.050
147 HG3 ARG 17 1HG ARG 17 8.416 -4.230 0.911
148 HD2 ARG 17 2HD ARG 17 7.158 -4.655 2.959
149 HD3 ARG 17 1HD ARG 17 5.708 -4.992 2.010
150 HE ARG 17 HE ARG 17 7.642 -6.657 1.045
151 HH11 ARG 17 1HH1 ARG 17 6.108 -6.182 4.218
152 HH12 ARG 17 2HH1 ARG 17 6.318 -7.798 4.705
153 HH21 ARG 17 1HH2 ARG 17 7.905 -8.889 1.751
154 HH22 ARG 17 2HH2 ARG 17 7.363 -9.365 3.292
155 H GLY 18 HN GLY 18 8.860 -2.077 4.218
156 HA2 GLY 18 2HA GLY 18 11.158 -2.132 4.496
157 HA3 GLY 18 1HA GLY 18 11.341 -2.099 2.741
Start of MODEL 2
1 H1 LYS 1 HN LYS 1 12.674 0.579 1.541
2 HA LYS 1 HA LYS 1 12.321 3.161 2.886
3 HB2 LYS 1 2HB LYS 1 13.736 2.588 0.287
4 HB3 LYS 1 1HB LYS 1 13.860 4.040 1.271
5 HG2 LYS 1 2HG LYS 1 14.816 2.632 3.069
6 HG3 LYS 1 1HG LYS 1 14.846 1.297 1.931
7 HD2 LYS 1 2HD LYS 1 16.255 2.624 0.408
8 HD3 LYS 1 1HD LYS 1 16.297 3.916 1.609
9 HE2 LYS 1 2HE LYS 1 17.357 1.110 1.943
10 HE3 LYS 1 1HE LYS 1 18.307 2.580 1.734
11 HZ1 LYS 1 1HZ LYS 1 16.533 2.000 4.045
12 HZ2 LYS 1 2HZ LYS 1 17.480 3.380 3.859
13 HZ3 LYS 1 3HZ LYS 1 18.209 1.876 4.035
14 H TRP 2 HN TRP 2 10.712 1.246 0.799
15 HA TRP 2 HA TRP 2 9.675 3.471 -0.809
16 HB2 TRP 2 2HB TRP 2 10.658 1.631 -2.109
17 HB3 TRP 2 1HB TRP 2 9.551 0.501 -1.350
18 HD1 TRP 2 1HD TRP 2 8.677 3.925 -2.961
19 HE1 TRP 2 1HE TRP 2 6.944 3.509 -4.805
20 HE3 TRP 2 3HE TRP 2 8.512 -1.182 -2.794
21 HZ2 TRP 2 2HZ TRP 2 5.693 1.316 -6.062
22 HZ3 TRP 2 3HZ TRP 2 7.020 -2.366 -4.374
23 HH2 TRP 2 2HH TRP 2 5.649 -1.135 -5.967
24 H CYS 3 HN CYS 3 7.693 4.160 -0.511
25 HA CYS 3 HA CYS 3 5.817 2.455 0.923
26 HB2 CYS 3 2HB CYS 3 5.870 5.469 0.619
27 HB3 CYS 3 1HB CYS 3 4.597 4.564 1.427
28 H PHE 4 HN PHE 4 4.082 1.832 -0.114
29 HA PHE 4 HA PHE 4 3.660 2.929 -2.771
30 HB2 PHE 4 2HB PHE 4 3.115 0.569 -3.494
31 HB3 PHE 4 1HB PHE 4 4.811 0.899 -3.174
32 HD1 PHE 4 1HD PHE 4 1.854 -0.934 -2.109
33 HD2 PHE 4 2HD PHE 4 5.910 -0.051 -1.230
34 HE1 PHE 4 1HE PHE 4 1.924 -2.829 -0.528
35 HE2 PHE 4 2HE PHE 4 5.984 -1.925 0.344
36 HZ PHE 4 HZ PHE 4 3.991 -3.321 0.700
37 H ARG 5 HN ARG 5 1.624 2.606 -3.611
38 HA ARG 5 HA ARG 5 -0.494 2.871 -1.655
39 HB2 ARG 5 2HB ARG 5 -0.308 4.500 -3.438
40 HB3 ARG 5 1HB ARG 5 -0.354 3.223 -4.640
41 HG2 ARG 5 2HG ARG 5 -2.650 2.705 -4.010
42 HG3 ARG 5 1HG ARG 5 -2.604 3.986 -2.792
43 HD2 ARG 5 2HD ARG 5 -2.131 5.613 -4.502
44 HD3 ARG 5 1HD ARG 5 -2.139 4.341 -5.722
45 HE ARG 5 HE ARG 5 -4.543 4.032 -4.832
46 HH11 ARG 5 1HH1 ARG 5 -2.858 7.094 -5.304
47 HH12 ARG 5 2HH1 ARG 5 -4.224 7.974 -5.789
48 HH21 ARG 5 1HH2 ARG 5 -6.509 5.274 -5.517
49 HH22 ARG 5 2HH2 ARG 5 -6.341 6.909 -5.890
50 H VAL 6 HN VAL 6 -1.731 1.219 -1.177
51 HA VAL 6 HA VAL 6 -1.769 -1.091 -2.994
52 HB VAL 6 HB VAL 6 -2.585 -1.100 -0.089
53 HG11 VAL 6 1HG1 VAL 6 -1.805 -3.330 -1.949
54 HG12 VAL 6 2HG1 VAL 6 -3.438 -2.923 -1.423
55 HG13 VAL 6 3HG1 VAL 6 -2.257 -3.510 -0.253
56 HG21 VAL 6 1HG2 VAL 6 0.119 -1.817 -1.190
57 HG22 VAL 6 2HG2 VAL 6 -0.413 -2.073 0.473
58 HG23 VAL 6 3HG2 VAL 6 -0.248 -0.435 -0.162
59 H CYS 7 HN CYS 7 -3.623 -1.120 -4.112
60 HA CYS 7 HA CYS 7 -5.967 0.001 -2.787
61 HB2 CYS 7 2HB CYS 7 -5.421 -0.325 -5.733
62 HB3 CYS 7 1HB CYS 7 -6.918 0.284 -5.036
63 H TYR 8 HN TYR 8 -7.387 -1.306 -2.108
64 HA TYR 8 HA TYR 8 -7.631 -3.898 -3.406
65 HB2 TYR 8 2HB TYR 8 -6.490 -3.980 -1.150
66 HB3 TYR 8 1HB TYR 8 -7.969 -3.328 -0.456
67 HD1 TYR 8 1HD TYR 8 -6.585 -6.229 -2.310
68 HD2 TYR 8 2HD TYR 8 -9.755 -4.770 0.124
69 HE1 TYR 8 1HE TYR 8 -7.441 -8.508 -2.077
70 HE2 TYR 8 2HE TYR 8 -10.619 -7.054 0.364
71 HH TYR 8 HH TYR 8 -8.866 -9.777 -0.419
72 H ARG 9 HN ARG 9 -9.338 -3.495 -4.559
73 HA ARG 9 HA ARG 9 -11.482 -3.361 -5.177
74 HB2 ARG 9 2HB ARG 9 -12.118 -3.484 -2.224
75 HB3 ARG 9 1HB ARG 9 -13.257 -3.764 -3.535
76 HG2 ARG 9 2HG ARG 9 -11.926 -5.718 -4.242
77 HG3 ARG 9 1HG ARG 9 -10.844 -5.441 -2.878
78 HD2 ARG 9 2HD ARG 9 -12.791 -5.659 -1.364
79 HD3 ARG 9 1HD ARG 9 -13.770 -6.086 -2.766
80 HE ARG 9 HE ARG 9 -11.535 -7.749 -2.664
81 HH11 ARG 9 1HH1 ARG 9 -14.642 -7.239 -1.016
82 HH12 ARG 9 2HH1 ARG 9 -14.687 -8.801 -0.349
83 HH21 ARG 9 1HH2 ARG 9 -11.606 -9.887 -1.687
84 HH22 ARG 9 2HH2 ARG 9 -12.947 -10.332 -0.734
85 H GLY 10 HN GLY 10 -9.976 -0.998 -4.780
86 HA2 GLY 10 2HA GLY 10 -10.697 1.184 -5.410
87 HA3 GLY 10 1HA GLY 10 -12.209 0.899 -4.557
88 H ILE 11 HN ILE 11 -10.542 -0.257 -2.312
89 HA ILE 11 HA ILE 11 -10.200 2.261 -0.914
90 HB ILE 11 HB ILE 11 -9.888 -0.594 0.082
91 HG12 ILE 11 2HG1 ILE 11 -12.269 1.259 0.365
92 HG13 ILE 11 1HG1 ILE 11 -12.172 -0.073 -0.779
93 HG21 ILE 11 1HG2 ILE 11 -10.135 0.399 2.325
94 HG22 ILE 11 2HG2 ILE 11 -10.208 2.006 1.601
95 HG23 ILE 11 3HG2 ILE 11 -8.729 1.055 1.480
96 HD11 ILE 11 1HD1 ILE 11 -12.016 -1.650 1.069
97 HD12 ILE 11 2HD1 ILE 11 -13.471 -0.658 1.194
98 HD13 ILE 11 3HD1 ILE 11 -12.072 -0.312 2.214
99 H CYS 12 HN CYS 12 -8.233 3.210 -1.012
100 HA CYS 12 HA CYS 12 -5.939 1.447 -1.431
101 HB2 CYS 12 2HB CYS 12 -6.149 4.393 -2.057
102 HB3 CYS 12 1HB CYS 12 -4.795 3.336 -2.409
103 H TYR 13 HN TYR 13 -4.469 1.323 0.024
104 HA TYR 13 HA TYR 13 -4.267 3.404 2.047
105 HB2 TYR 13 2HB TYR 13 -3.655 1.521 3.683
106 HB3 TYR 13 1HB TYR 13 -5.349 1.674 3.256
107 HD1 TYR 13 1HD TYR 13 -6.460 -0.055 1.947
108 HD2 TYR 13 2HD TYR 13 -2.325 -0.444 2.930
109 HE1 TYR 13 1HE TYR 13 -6.538 -2.420 1.329
110 HE2 TYR 13 2HE TYR 13 -2.405 -2.804 2.316
111 HH TYR 13 HH TYR 13 -4.912 -4.192 0.558
112 H ARG 14 HN ARG 14 -2.199 3.816 2.783
113 HA ARG 14 HA ARG 14 -0.131 3.066 0.893
114 HB2 ARG 14 2HB ARG 14 -0.377 5.427 1.560
115 HB3 ARG 14 1HB ARG 14 -0.065 4.978 3.228
116 HG2 ARG 14 2HG ARG 14 2.175 4.176 2.573
117 HG3 ARG 14 1HG ARG 14 1.863 4.724 0.929
118 HD2 ARG 14 2HD ARG 14 1.966 6.435 3.411
119 HD3 ARG 14 1HD ARG 14 3.179 6.357 2.134
120 HE ARG 14 HE ARG 14 0.881 7.006 0.865
121 HH11 ARG 14 1HH1 ARG 14 2.836 8.499 3.441
122 HH12 ARG 14 2HH1 ARG 14 2.277 10.083 3.116
123 HH21 ARG 14 1HH2 ARG 14 0.144 9.188 0.460
124 HH22 ARG 14 2HH2 ARG 14 0.719 10.471 1.419
125 H ARG 15 HN ARG 15 1.392 1.627 1.316
126 HA ARG 15 HA ARG 15 1.945 0.962 4.096
127 HB2 ARG 15 2HB ARG 15 1.502 -0.993 1.829
128 HB3 ARG 15 1HB ARG 15 2.327 -1.462 3.337
129 HG2 ARG 15 2HG ARG 15 -0.453 -0.502 2.911
130 HG3 ARG 15 1HG ARG 15 0.040 -2.147 3.338
131 HD2 ARG 15 2HD ARG 15 0.958 -1.253 5.468
132 HD3 ARG 15 1HD ARG 15 0.364 0.339 5.021
133 HE ARG 15 HE ARG 15 -1.308 -1.990 5.523
134 HH11 ARG 15 1HH1 ARG 15 -0.923 1.542 5.383
135 HH12 ARG 15 2HH1 ARG 15 -2.281 1.872 6.362
136 HH21 ARG 15 1HH2 ARG 15 -3.198 -1.515 6.789
137 HH22 ARG 15 2HH2 ARG 15 -3.631 0.102 7.160
138 H CYS 16 HN CYS 16 4.072 0.455 4.546
139 HA CYS 16 HA CYS 16 5.876 1.280 2.398
140 HB2 CYS 16 2HB CYS 16 6.160 1.821 5.357
141 HB3 CYS 16 1HB CYS 16 7.323 2.267 4.119
142 H ARG 17 HN ARG 17 7.312 -0.114 1.810
143 HA ARG 17 HA ARG 17 8.073 -2.155 3.737
144 HB2 ARG 17 2HB ARG 17 6.680 -3.121 1.882
145 HB3 ARG 17 1HB ARG 17 7.888 -2.543 0.733
146 HG2 ARG 17 2HG ARG 17 8.183 -4.907 1.173
147 HG3 ARG 17 1HG ARG 17 9.559 -3.986 1.791
148 HD2 ARG 17 2HD ARG 17 8.514 -4.020 4.032
149 HD3 ARG 17 1HD ARG 17 7.236 -5.054 3.391
150 HE ARG 17 HE ARG 17 9.540 -6.333 2.787
151 HH11 ARG 17 1HH1 ARG 17 8.091 -5.071 5.770
152 HH12 ARG 17 2HH1 ARG 17 8.843 -6.195 6.785
153 HH21 ARG 17 1HH2 ARG 17 10.619 -7.881 4.206
154 HH22 ARG 17 2HH2 ARG 17 10.321 -7.829 5.879
155 H GLY 18 HN GLY 18 9.965 -1.455 4.397
156 HA2 GLY 18 2HA GLY 18 12.211 -1.048 4.269
157 HA3 GLY 18 1HA GLY 18 12.102 -1.204 2.514
Start of MODEL 3
1 H1 LYS 1 HN LYS 1 12.207 0.767 2.325
2 HA LYS 1 HA LYS 1 11.193 2.988 3.974
3 HB2 LYS 1 2HB LYS 1 13.103 3.023 1.637
4 HB3 LYS 1 1HB LYS 1 12.750 4.363 2.715
5 HG2 LYS 1 2HG LYS 1 14.062 1.789 3.525
6 HG3 LYS 1 1HG LYS 1 14.902 3.292 3.148
7 HD2 LYS 1 2HD LYS 1 13.707 4.392 5.000
8 HD3 LYS 1 1HD LYS 1 12.908 2.862 5.372
9 HE2 LYS 1 2HE LYS 1 14.851 3.280 6.826
10 HE3 LYS 1 1HE LYS 1 15.033 1.823 5.851
11 HZ1 LYS 1 1HZ LYS 1 16.465 3.024 4.343
12 HZ2 LYS 1 2HZ LYS 1 17.056 3.195 5.908
13 HZ3 LYS 1 3HZ LYS 1 16.220 4.455 5.184
14 H TRP 2 HN TRP 2 10.976 1.410 0.989
15 HA TRP 2 HA TRP 2 9.769 3.423 -0.561
16 HB2 TRP 2 2HB TRP 2 10.961 1.662 -1.638
17 HB3 TRP 2 1HB TRP 2 9.977 0.435 -0.859
18 HD1 TRP 2 1HD TRP 2 9.151 3.454 -3.181
19 HE1 TRP 2 1HE TRP 2 7.521 2.594 -4.985
20 HE3 TRP 2 3HE TRP 2 8.831 -1.419 -1.735
21 HZ2 TRP 2 2HZ TRP 2 6.280 0.176 -5.699
22 HZ3 TRP 2 3HZ TRP 2 7.408 -2.950 -3.034
23 HH2 TRP 2 2HH TRP 2 6.164 -2.167 -4.970
24 H CYS 3 HN CYS 3 7.869 4.261 -0.187
25 HA CYS 3 HA CYS 3 5.740 2.566 0.874
26 HB2 CYS 3 2HB CYS 3 6.060 5.575 0.988
27 HB3 CYS 3 1HB CYS 3 4.688 4.676 1.623
28 H PHE 4 HN PHE 4 4.097 2.155 -0.350
29 HA PHE 4 HA PHE 4 3.742 3.694 -2.795
30 HB2 PHE 4 2HB PHE 4 3.416 1.561 -4.021
31 HB3 PHE 4 1HB PHE 4 5.053 1.771 -3.423
32 HD1 PHE 4 1HD PHE 4 5.651 0.547 -1.220
33 HD2 PHE 4 2HD PHE 4 2.238 -0.385 -3.569
34 HE1 PHE 4 1HE PHE 4 5.534 -1.660 -0.158
35 HE2 PHE 4 2HE PHE 4 2.116 -2.601 -2.502
36 HZ PHE 4 HZ PHE 4 3.762 -3.235 -0.798
37 H ARG 5 HN ARG 5 1.712 3.369 -3.779
38 HA ARG 5 HA ARG 5 -0.457 3.294 -1.882
39 HB2 ARG 5 2HB ARG 5 -0.457 5.063 -3.510
40 HB3 ARG 5 1HB ARG 5 -0.255 3.926 -4.829
41 HG2 ARG 5 2HG ARG 5 -2.509 3.035 -4.349
42 HG3 ARG 5 1HG ARG 5 -2.696 4.270 -3.104
43 HD2 ARG 5 2HD ARG 5 -2.517 6.023 -4.728
44 HD3 ARG 5 1HD ARG 5 -2.099 4.870 -5.998
45 HE ARG 5 HE ARG 5 -4.545 4.138 -4.912
46 HH11 ARG 5 1HH1 ARG 5 -3.239 6.785 -6.857
47 HH12 ARG 5 2HH1 ARG 5 -4.708 7.084 -7.665
48 HH21 ARG 5 1HH2 ARG 5 -6.547 4.556 -6.023
49 HH22 ARG 5 2HH2 ARG 5 -6.627 5.811 -7.163
50 H VAL 6 HN VAL 6 -1.750 1.604 -1.586
51 HA VAL 6 HA VAL 6 -1.634 -0.635 -3.486
52 HB VAL 6 HB VAL 6 -2.273 -0.780 -0.528
53 HG11 VAL 6 1HG1 VAL 6 -1.690 -2.958 -2.521
54 HG12 VAL 6 2HG1 VAL 6 -3.264 -2.566 -1.829
55 HG13 VAL 6 3HG1 VAL 6 -1.979 -3.196 -0.798
56 HG21 VAL 6 1HG2 VAL 6 0.052 -0.136 -0.760
57 HG22 VAL 6 2HG2 VAL 6 0.325 -1.458 -1.892
58 HG23 VAL 6 3HG2 VAL 6 -0.062 -1.808 -0.207
59 H CYS 7 HN CYS 7 -3.567 -0.923 -4.438
60 HA CYS 7 HA CYS 7 -5.898 0.164 -3.049
61 HB2 CYS 7 2HB CYS 7 -5.436 -0.195 -6.012
62 HB3 CYS 7 1HB CYS 7 -6.980 0.266 -5.299
63 H TYR 8 HN TYR 8 -7.211 -1.205 -2.228
64 HA TYR 8 HA TYR 8 -7.388 -3.863 -3.388
65 HB2 TYR 8 2HB TYR 8 -5.874 -3.901 -1.436
66 HB3 TYR 8 1HB TYR 8 -7.132 -3.150 -0.468
67 HD1 TYR 8 1HD TYR 8 -8.528 -4.491 0.801
68 HD2 TYR 8 2HD TYR 8 -6.556 -6.181 -2.565
69 HE1 TYR 8 1HE TYR 8 -9.420 -6.688 1.387
70 HE2 TYR 8 2HE TYR 8 -7.439 -8.382 -1.989
71 HH TYR 8 HH TYR 8 -8.280 -9.536 -0.003
72 H ARG 9 HN ARG 9 -9.345 -3.888 -4.120
73 HA ARG 9 HA ARG 9 -11.567 -3.928 -4.317
74 HB2 ARG 9 2HB ARG 9 -11.638 -3.738 -1.299
75 HB3 ARG 9 1HB ARG 9 -12.987 -4.205 -2.321
76 HG2 ARG 9 2HG ARG 9 -11.681 -6.182 -3.050
77 HG3 ARG 9 1HG ARG 9 -10.419 -5.725 -1.902
78 HD2 ARG 9 2HD ARG 9 -12.161 -5.796 -0.106
79 HD3 ARG 9 1HD ARG 9 -13.269 -6.472 -1.300
80 HE ARG 9 HE ARG 9 -10.729 -7.812 -0.759
81 HH11 ARG 9 1HH1 ARG 9 -14.269 -7.933 -0.702
82 HH12 ARG 9 2HH1 ARG 9 -14.345 -9.514 -0.078
83 HH21 ARG 9 1HH2 ARG 9 -10.828 -9.947 0.146
84 HH22 ARG 9 2HH2 ARG 9 -12.346 -10.699 0.374
85 H GLY 10 HN GLY 10 -10.095 -1.357 -4.113
86 HA2 GLY 10 2HA GLY 10 -11.143 0.686 -4.848
87 HA3 GLY 10 1HA GLY 10 -12.454 0.355 -3.720
88 H ILE 11 HN ILE 11 -10.458 -0.540 -1.700
89 HA ILE 11 HA ILE 11 -10.055 2.065 -0.523
90 HB ILE 11 HB ILE 11 -9.335 -0.680 0.567
91 HG12 ILE 11 2HG1 ILE 11 -11.792 1.013 1.107
92 HG13 ILE 11 1HG1 ILE 11 -11.757 -0.449 0.133
93 HG21 ILE 11 1HG2 ILE 11 -8.099 1.155 1.633
94 HG22 ILE 11 2HG2 ILE 11 -9.255 0.434 2.753
95 HG23 ILE 11 3HG2 ILE 11 -9.620 1.979 1.987
96 HD11 ILE 11 1HD1 ILE 11 -11.168 -0.268 3.081
97 HD12 ILE 11 2HD1 ILE 11 -11.133 -1.742 2.115
98 HD13 ILE 11 3HD1 ILE 11 -12.654 -0.879 2.351
99 H CYS 12 HN CYS 12 -8.282 3.154 -1.088
100 HA CYS 12 HA CYS 12 -5.872 1.610 -1.641
101 HB2 CYS 12 2HB CYS 12 -6.435 4.490 -2.326
102 HB3 CYS 12 1HB CYS 12 -5.014 3.578 -2.775
103 H TYR 13 HN TYR 13 -4.328 1.650 -0.288
104 HA TYR 13 HA TYR 13 -4.102 3.819 1.652
105 HB2 TYR 13 2HB TYR 13 -3.430 2.068 3.359
106 HB3 TYR 13 1HB TYR 13 -5.134 2.096 2.937
107 HD1 TYR 13 1HD TYR 13 -1.935 0.186 2.468
108 HD2 TYR 13 2HD TYR 13 -6.183 0.197 1.971
109 HE1 TYR 13 1HE TYR 13 -1.905 -2.204 2.009
110 HE2 TYR 13 2HE TYR 13 -6.126 -2.204 1.501
111 HH TYR 13 HH TYR 13 -4.461 -3.916 0.702
112 H ARG 14 HN ARG 14 -1.870 3.614 2.764
113 HA ARG 14 HA ARG 14 0.009 3.010 0.626
114 HB2 ARG 14 2HB ARG 14 0.211 5.025 2.872
115 HB3 ARG 14 1HB ARG 14 1.601 4.533 1.926
116 HG2 ARG 14 2HG ARG 14 0.799 6.603 1.049
117 HG3 ARG 14 1HG ARG 14 0.418 5.339 -0.116
118 HD2 ARG 14 2HD ARG 14 -1.881 5.259 0.824
119 HD3 ARG 14 1HD ARG 14 -1.465 6.628 1.851
120 HE ARG 14 HE ARG 14 -0.851 7.263 -0.773
121 HH11 ARG 14 1HH1 ARG 14 -3.732 6.688 1.228
122 HH12 ARG 14 2HH1 ARG 14 -4.733 7.704 0.294
123 HH21 ARG 14 1HH2 ARG 14 -2.282 8.688 -2.021
124 HH22 ARG 14 2HH2 ARG 14 -3.915 8.837 -1.541
125 H ARG 15 HN ARG 15 1.528 1.568 0.956
126 HA ARG 15 HA ARG 15 1.986 0.604 3.682
127 HB2 ARG 15 2HB ARG 15 1.667 -0.924 1.130
128 HB3 ARG 15 1HB ARG 15 2.578 -1.626 2.475
129 HG2 ARG 15 2HG ARG 15 -0.305 -0.797 2.433
130 HG3 ARG 15 1HG ARG 15 0.295 -2.441 2.265
131 HD2 ARG 15 2HD ARG 15 -0.438 -2.230 4.505
132 HD3 ARG 15 1HD ARG 15 1.318 -2.171 4.568
133 HE ARG 15 HE ARG 15 0.125 0.435 4.447
134 HH11 ARG 15 1HH1 ARG 15 1.084 -2.157 6.679
135 HH12 ARG 15 2HH1 ARG 15 0.975 -1.166 8.056
136 HH21 ARG 15 1HH2 ARG 15 -0.041 1.746 6.346
137 HH22 ARG 15 2HH2 ARG 15 0.369 1.096 7.865
138 H CYS 16 HN CYS 16 4.176 -0.177 4.008
139 HA CYS 16 HA CYS 16 6.010 1.033 2.086
140 HB2 CYS 16 2HB CYS 16 6.210 1.189 5.090
141 HB3 CYS 16 1HB CYS 16 7.373 1.833 3.938
142 H ARG 17 HN ARG 17 7.130 -0.516 1.247
143 HA ARG 17 HA ARG 17 7.822 -2.830 2.888
144 HB2 ARG 17 2HB ARG 17 6.808 -3.176 0.595
145 HB3 ARG 17 1HB ARG 17 8.250 -2.436 -0.085
146 HG2 ARG 17 2HG ARG 17 9.602 -4.235 0.915
147 HG3 ARG 17 1HG ARG 17 8.116 -4.972 1.516
148 HD2 ARG 17 2HD ARG 17 7.291 -5.129 -0.797
149 HD3 ARG 17 1HD ARG 17 8.830 -4.488 -1.366
150 HE ARG 17 HE ARG 17 8.882 -6.873 0.288
151 HH11 ARG 17 1HH1 ARG 17 9.282 -5.466 -2.939
152 HH12 ARG 17 2HH1 ARG 17 9.877 -6.895 -3.634
153 HH21 ARG 17 1HH2 ARG 17 9.683 -8.828 -0.663
154 HH22 ARG 17 2HH2 ARG 17 10.102 -8.871 -2.311
155 H GLY 18 HN GLY 18 9.342 -1.912 4.133
156 HA2 GLY 18 2HA GLY 18 11.578 -1.474 4.589
157 HA3 GLY 18 1HA GLY 18 11.858 -1.221 2.862
Start of MODEL 4
1 H1 LYS 1 HN LYS 1 12.623 0.678 1.806
2 HA LYS 1 HA LYS 1 12.064 3.165 3.247
3 HB2 LYS 1 2HB LYS 1 13.750 4.207 1.783
4 HB3 LYS 1 1HB LYS 1 14.414 2.932 2.794
5 HG2 LYS 1 2HG LYS 1 14.393 1.397 0.904
6 HG3 LYS 1 1HG LYS 1 13.677 2.642 -0.117
7 HD2 LYS 1 2HD LYS 1 16.381 2.765 1.215
8 HD3 LYS 1 1HD LYS 1 16.091 2.448 -0.495
9 HE2 LYS 1 2HE LYS 1 14.980 4.672 -0.645
10 HE3 LYS 1 1HE LYS 1 15.464 4.973 1.022
11 HZ1 LYS 1 1HZ LYS 1 17.785 4.706 0.311
12 HZ2 LYS 1 2HZ LYS 1 17.001 5.973 -0.471
13 HZ3 LYS 1 3HZ LYS 1 17.255 4.527 -1.282
14 H TRP 2 HN TRP 2 10.739 1.272 1.003
15 HA TRP 2 HA TRP 2 9.843 3.485 -0.695
16 HB2 TRP 2 2HB TRP 2 10.950 1.810 -1.987
17 HB3 TRP 2 1HB TRP 2 10.052 0.519 -1.207
18 HD1 TRP 2 1HD TRP 2 8.996 3.665 -3.274
19 HE1 TRP 2 1HE TRP 2 7.260 2.882 -5.019
20 HE3 TRP 2 3HE TRP 2 8.841 -1.300 -2.111
21 HZ2 TRP 2 2HZ TRP 2 6.009 0.480 -5.796
22 HZ3 TRP 2 3HZ TRP 2 7.358 -2.774 -3.408
23 HH2 TRP 2 2HH TRP 2 5.978 -1.898 -5.209
24 H CYS 3 HN CYS 3 7.846 4.150 -0.446
25 HA CYS 3 HA CYS 3 5.946 2.363 0.872
26 HB2 CYS 3 2HB CYS 3 5.937 5.383 0.729
27 HB3 CYS 3 1HB CYS 3 4.730 4.393 1.542
28 H PHE 4 HN PHE 4 4.130 1.847 -0.143
29 HA PHE 4 HA PHE 4 3.693 3.079 -2.734
30 HB2 PHE 4 2HB PHE 4 3.189 0.800 -3.658
31 HB3 PHE 4 1HB PHE 4 4.879 1.104 -3.291
32 HD1 PHE 4 1HD PHE 4 5.881 0.076 -1.269
33 HD2 PHE 4 2HD PHE 4 2.001 -0.962 -2.635
34 HE1 PHE 4 1HE PHE 4 5.975 -1.980 0.054
35 HE2 PHE 4 2HE PHE 4 2.086 -3.028 -1.309
36 HZ PHE 4 HZ PHE 4 4.082 -3.543 0.039
37 H ARG 5 HN ARG 5 1.657 2.693 -3.617
38 HA ARG 5 HA ARG 5 -0.453 2.821 -1.620
39 HB2 ARG 5 2HB ARG 5 -0.380 4.605 -3.231
40 HB3 ARG 5 1HB ARG 5 -0.295 3.459 -4.555
41 HG2 ARG 5 2HG ARG 5 -2.573 2.763 -4.139
42 HG3 ARG 5 1HG ARG 5 -2.664 3.841 -2.743
43 HD2 ARG 5 2HD ARG 5 -2.414 5.767 -4.127
44 HD3 ARG 5 1HD ARG 5 -2.036 4.768 -5.529
45 HE ARG 5 HE ARG 5 -4.476 3.926 -4.829
46 HH11 ARG 5 1HH1 ARG 5 -3.191 7.164 -5.465
47 HH12 ARG 5 2HH1 ARG 5 -4.641 7.769 -6.127
48 HH21 ARG 5 1HH2 ARG 5 -6.461 4.732 -5.744
49 HH22 ARG 5 2HH2 ARG 5 -6.555 6.346 -6.258
50 H VAL 6 HN VAL 6 -1.830 1.202 -1.326
51 HA VAL 6 HA VAL 6 -1.843 -0.993 -3.284
52 HB VAL 6 HB VAL 6 -2.476 -1.202 -0.326
53 HG11 VAL 6 1HG1 VAL 6 -2.045 -3.341 -2.415
54 HG12 VAL 6 2HG1 VAL 6 -3.587 -2.880 -1.695
55 HG13 VAL 6 3HG1 VAL 6 -2.337 -3.629 -0.698
56 HG21 VAL 6 1HG2 VAL 6 -0.109 -0.701 -0.582
57 HG22 VAL 6 2HG2 VAL 6 0.056 -2.018 -1.746
58 HG23 VAL 6 3HG2 VAL 6 -0.333 -2.372 -0.061
59 H CYS 7 HN CYS 7 -3.737 -1.121 -4.286
60 HA CYS 7 HA CYS 7 -6.070 0.028 -2.957
61 HB2 CYS 7 2HB CYS 7 -5.478 -0.304 -5.895
62 HB3 CYS 7 1HB CYS 7 -7.025 0.230 -5.246
63 H TYR 8 HN TYR 8 -7.535 -1.267 -2.299
64 HA TYR 8 HA TYR 8 -7.812 -3.881 -3.560
65 HB2 TYR 8 2HB TYR 8 -6.600 -4.058 -1.410
66 HB3 TYR 8 1HB TYR 8 -7.924 -3.210 -0.629
67 HD1 TYR 8 1HD TYR 8 -9.525 -4.454 0.470
68 HD2 TYR 8 2HD TYR 8 -7.359 -6.276 -2.709
69 HE1 TYR 8 1HE TYR 8 -10.646 -6.581 0.932
70 HE2 TYR 8 2HE TYR 8 -8.467 -8.398 -2.259
71 HH TYR 8 HH TYR 8 -9.583 -9.518 -0.381
72 H ARG 9 HN ARG 9 -9.608 -3.572 -4.616
73 HA ARG 9 HA ARG 9 -11.793 -3.401 -5.107
74 HB2 ARG 9 2HB ARG 9 -12.189 -3.560 -2.118
75 HB3 ARG 9 1HB ARG 9 -13.466 -3.726 -3.311
76 HG2 ARG 9 2HG ARG 9 -12.345 -5.717 -4.205
77 HG3 ARG 9 1HG ARG 9 -11.103 -5.559 -2.960
78 HD2 ARG 9 2HD ARG 9 -12.837 -5.755 -1.236
79 HD3 ARG 9 1HD ARG 9 -14.049 -5.964 -2.495
80 HE ARG 9 HE ARG 9 -11.980 -7.864 -2.764
81 HH11 ARG 9 1HH1 ARG 9 -14.877 -7.122 -0.875
82 HH12 ARG 9 2HH1 ARG 9 -15.135 -8.712 -0.338
83 HH21 ARG 9 1HH2 ARG 9 -12.326 -10.111 -1.975
84 HH22 ARG 9 2HH2 ARG 9 -13.653 -10.423 -0.950
85 H GLY 10 HN GLY 10 -10.228 -0.955 -4.541
86 HA2 GLY 10 2HA GLY 10 -11.065 1.229 -5.108
87 HA3 GLY 10 1HA GLY 10 -12.519 0.860 -4.188
88 H ILE 11 HN ILE 11 -10.563 -0.387 -2.160
89 HA ILE 11 HA ILE 11 -10.193 2.056 -0.644
90 HB ILE 11 HB ILE 11 -9.805 -0.856 0.119
91 HG12 ILE 11 2HG1 ILE 11 -12.053 1.058 0.799
92 HG13 ILE 11 1HG1 ILE 11 -12.153 -0.264 -0.353
93 HG21 ILE 11 1HG2 ILE 11 -9.785 1.605 1.871
94 HG22 ILE 11 2HG2 ILE 11 -8.388 0.621 1.449
95 HG23 ILE 11 3HG2 ILE 11 -9.681 -0.063 2.434
96 HD11 ILE 11 1HD1 ILE 11 -11.789 -1.865 1.458
97 HD12 ILE 11 2HD1 ILE 11 -13.201 -0.850 1.759
98 HD13 ILE 11 3HD1 ILE 11 -11.685 -0.532 2.606
99 H CYS 12 HN CYS 12 -8.331 3.066 -1.082
100 HA CYS 12 HA CYS 12 -5.961 1.418 -1.556
101 HB2 CYS 12 2HB CYS 12 -6.314 4.351 -2.182
102 HB3 CYS 12 1HB CYS 12 -4.962 3.333 -2.607
103 H TYR 13 HN TYR 13 -4.413 1.424 -0.154
104 HA TYR 13 HA TYR 13 -4.287 3.554 1.823
105 HB2 TYR 13 2HB TYR 13 -3.662 1.772 3.532
106 HB3 TYR 13 1HB TYR 13 -5.350 1.815 3.049
107 HD1 TYR 13 1HD TYR 13 -2.175 -0.049 2.678
108 HD2 TYR 13 2HD TYR 13 -6.371 -0.073 1.997
109 HE1 TYR 13 1HE TYR 13 -2.069 -2.425 2.161
110 HE2 TYR 13 2HE TYR 13 -6.283 -2.461 1.473
111 HH TYR 13 HH TYR 13 -4.639 -4.147 0.727
112 H ARG 14 HN ARG 14 -2.164 3.676 2.863
113 HA ARG 14 HA ARG 14 -0.085 3.114 0.874
114 HB2 ARG 14 2HB ARG 14 -0.070 5.045 3.209
115 HB3 ARG 14 1HB ARG 14 1.178 4.891 1.984
116 HG2 ARG 14 2HG ARG 14 -1.657 5.777 1.462
117 HG3 ARG 14 1HG ARG 14 -0.275 6.854 1.649
118 HD2 ARG 14 2HD ARG 14 0.774 5.892 -0.318
119 HD3 ARG 14 1HD ARG 14 -0.536 4.722 -0.471
120 HE ARG 14 HE ARG 14 -1.900 6.973 -0.583
121 HH11 ARG 14 1HH1 ARG 14 1.118 6.167 -2.266
122 HH12 ARG 14 2HH1 ARG 14 0.750 7.134 -3.615
123 HH21 ARG 14 1HH2 ARG 14 -2.356 8.301 -2.466
124 HH22 ARG 14 2HH2 ARG 14 -1.204 8.363 -3.722
125 H ARG 15 HN ARG 15 1.385 1.612 1.326
126 HA ARG 15 HA ARG 15 1.982 1.017 4.132
127 HB2 ARG 15 2HB ARG 15 1.557 -0.963 1.893
128 HB3 ARG 15 1HB ARG 15 2.443 -1.373 3.347
129 HG2 ARG 15 2HG ARG 15 -0.398 -0.422 3.326
130 HG3 ARG 15 1HG ARG 15 0.067 -2.124 3.322
131 HD2 ARG 15 2HD ARG 15 -0.437 -1.546 5.586
132 HD3 ARG 15 1HD ARG 15 1.312 -1.657 5.475
133 HE ARG 15 HE ARG 15 0.309 1.006 5.100
134 HH11 ARG 15 1HH1 ARG 15 1.382 -1.333 7.560
135 HH12 ARG 15 2HH1 ARG 15 1.566 -0.149 8.772
136 HH21 ARG 15 1HH2 ARG 15 0.583 2.593 6.772
137 HH22 ARG 15 2HH2 ARG 15 1.108 2.120 8.320
138 H CYS 16 HN CYS 16 4.179 0.213 4.462
139 HA CYS 16 HA CYS 16 5.893 1.151 2.293
140 HB2 CYS 16 2HB CYS 16 6.390 1.495 5.256
141 HB3 CYS 16 1HB CYS 16 7.487 1.966 3.969
142 H ARG 17 HN ARG 17 7.713 0.083 1.861
143 HA ARG 17 HA ARG 17 8.274 -2.336 3.385
144 HB2 ARG 17 2HB ARG 17 7.108 -2.972 1.334
145 HB3 ARG 17 1HB ARG 17 8.249 -2.034 0.370
146 HG2 ARG 17 2HG ARG 17 10.039 -3.524 1.090
147 HG3 ARG 17 1HG ARG 17 8.880 -4.454 2.035
148 HD2 ARG 17 2HD ARG 17 7.629 -4.936 -0.022
149 HD3 ARG 17 1HD ARG 17 8.852 -4.065 -0.947
150 HE ARG 17 HE ARG 17 10.196 -5.936 0.533
151 HH11 ARG 17 1HH1 ARG 17 7.737 -5.939 -2.022
152 HH12 ARG 17 2HH1 ARG 17 8.165 -7.458 -2.645
153 HH21 ARG 17 1HH2 ARG 17 10.768 -8.086 -0.316
154 HH22 ARG 17 2HH2 ARG 17 9.918 -8.719 -1.640
155 H GLY 18 HN GLY 18 10.029 -1.614 4.372
156 HA2 GLY 18 2HA GLY 18 12.230 -1.060 4.627
157 HA3 GLY 18 1HA GLY 18 12.399 -1.138 2.874
Start of MODEL 5
1 H1 LYS 1 HN LYS 1 12.176 0.616 2.181
2 HA LYS 1 HA LYS 1 11.255 2.690 4.047
3 HB2 LYS 1 2HB LYS 1 12.938 4.179 3.002
4 HB3 LYS 1 1HB LYS 1 13.647 2.771 3.783
5 HG2 LYS 1 2HG LYS 1 13.943 1.707 1.626
6 HG3 LYS 1 1HG LYS 1 13.210 3.102 0.827
7 HD2 LYS 1 2HD LYS 1 14.997 4.518 1.609
8 HD3 LYS 1 1HD LYS 1 15.686 3.184 2.533
9 HE2 LYS 1 2HE LYS 1 16.050 1.949 0.447
10 HE3 LYS 1 1HE LYS 1 15.394 3.305 -0.466
11 HZ1 LYS 1 1HZ LYS 1 17.824 3.351 -0.427
12 HZ2 LYS 1 2HZ LYS 1 17.814 3.371 1.244
13 HZ3 LYS 1 3HZ LYS 1 17.210 4.685 0.401
14 H TRP 2 HN TRP 2 11.022 1.361 0.923
15 HA TRP 2 HA TRP 2 9.896 3.620 -0.374
16 HB2 TRP 2 2HB TRP 2 11.075 2.071 -1.735
17 HB3 TRP 2 1HB TRP 2 10.180 0.710 -1.082
18 HD1 TRP 2 1HD TRP 2 9.096 3.948 -2.973
19 HE1 TRP 2 1HE TRP 2 7.446 3.230 -4.819
20 HE3 TRP 2 3HE TRP 2 9.101 -1.091 -2.165
21 HZ2 TRP 2 2HZ TRP 2 6.318 0.854 -5.809
22 HZ3 TRP 2 3HZ TRP 2 7.713 -2.523 -3.611
23 HH2 TRP 2 2HH TRP 2 6.351 -1.557 -5.397
24 H CYS 3 HN CYS 3 7.932 4.307 -0.185
25 HA CYS 3 HA CYS 3 5.866 2.511 0.821
26 HB2 CYS 3 2HB CYS 3 6.105 5.514 1.015
27 HB3 CYS 3 1HB CYS 3 4.711 4.585 1.559
28 H PHE 4 HN PHE 4 4.043 2.264 -0.298
29 HA PHE 4 HA PHE 4 3.770 3.731 -2.776
30 HB2 PHE 4 2HB PHE 4 3.377 1.570 -3.996
31 HB3 PHE 4 1HB PHE 4 5.033 1.843 -3.485
32 HD1 PHE 4 1HD PHE 4 5.858 0.618 -1.407
33 HD2 PHE 4 2HD PHE 4 2.228 -0.381 -3.379
34 HE1 PHE 4 1HE PHE 4 5.892 -1.585 -0.333
35 HE2 PHE 4 2HE PHE 4 2.255 -2.590 -2.302
36 HZ PHE 4 HZ PHE 4 4.086 -3.197 -0.774
37 H ARG 5 HN ARG 5 1.745 3.410 -3.809
38 HA ARG 5 HA ARG 5 -0.449 3.391 -1.941
39 HB2 ARG 5 2HB ARG 5 -0.453 5.085 -3.666
40 HB3 ARG 5 1HB ARG 5 -0.264 3.874 -4.923
41 HG2 ARG 5 2HG ARG 5 -2.501 2.993 -4.379
42 HG3 ARG 5 1HG ARG 5 -2.686 4.263 -3.172
43 HD2 ARG 5 2HD ARG 5 -2.574 5.965 -4.880
44 HD3 ARG 5 1HD ARG 5 -2.192 4.756 -6.104
45 HE ARG 5 HE ARG 5 -4.538 3.926 -5.041
46 HH11 ARG 5 1HH1 ARG 5 -3.517 6.879 -6.724
47 HH12 ARG 5 2HH1 ARG 5 -5.071 7.226 -7.313
48 HH21 ARG 5 1HH2 ARG 5 -6.622 4.399 -5.883
49 HH22 ARG 5 2HH2 ARG 5 -6.885 5.793 -6.822
50 H VAL 6 HN VAL 6 -1.759 1.715 -1.591
51 HA VAL 6 HA VAL 6 -1.775 -0.515 -3.509
52 HB VAL 6 HB VAL 6 -2.152 -0.753 -0.510
53 HG11 VAL 6 1HG1 VAL 6 -1.887 -3.143 -0.885
54 HG12 VAL 6 2HG1 VAL 6 -1.734 -2.856 -2.618
55 HG13 VAL 6 3HG1 VAL 6 -3.252 -2.488 -1.793
56 HG21 VAL 6 1HG2 VAL 6 0.063 -1.802 -0.408
57 HG22 VAL 6 2HG2 VAL 6 0.152 -0.115 -0.916
58 HG23 VAL 6 3HG2 VAL 6 0.316 -1.405 -2.105
59 H CYS 7 HN CYS 7 -3.831 -1.139 -4.067
60 HA CYS 7 HA CYS 7 -6.015 0.129 -2.604
61 HB2 CYS 7 2HB CYS 7 -5.848 -0.384 -5.579
62 HB3 CYS 7 1HB CYS 7 -7.248 0.267 -4.730
63 H TYR 8 HN TYR 8 -7.323 -1.194 -1.683
64 HA TYR 8 HA TYR 8 -7.319 -3.997 -2.498
65 HB2 TYR 8 2HB TYR 8 -6.380 -3.462 -0.236
66 HB3 TYR 8 1HB TYR 8 -7.931 -2.746 0.179
67 HD1 TYR 8 1HD TYR 8 -6.127 -5.884 -0.425
68 HD2 TYR 8 2HD TYR 8 -9.827 -4.144 0.729
69 HE1 TYR 8 1HE TYR 8 -6.890 -8.057 0.424
70 HE2 TYR 8 2HE TYR 8 -10.588 -6.324 1.567
71 HH TYR 8 HH TYR 8 -8.502 -8.936 2.020
72 H ARG 9 HN ARG 9 -8.991 -4.054 -3.805
73 HA ARG 9 HA ARG 9 -11.080 -4.149 -4.564
74 HB2 ARG 9 2HB ARG 9 -11.907 -3.748 -1.685
75 HB3 ARG 9 1HB ARG 9 -12.954 -4.344 -2.962
76 HG2 ARG 9 2HG ARG 9 -11.505 -6.306 -3.217
77 HG3 ARG 9 1HG ARG 9 -10.480 -5.695 -1.917
78 HD2 ARG 9 2HD ARG 9 -12.513 -5.727 -0.447
79 HD3 ARG 9 1HD ARG 9 -13.342 -6.580 -1.751
80 HE ARG 9 HE ARG 9 -10.863 -7.772 -0.997
81 HH11 ARG 9 1HH1 ARG 9 -14.331 -7.705 -0.342
82 HH12 ARG 9 2HH1 ARG 9 -14.344 -9.159 0.538
83 HH21 ARG 9 1HH2 ARG 9 -10.851 -9.731 0.260
84 HH22 ARG 9 2HH2 ARG 9 -12.308 -10.352 0.885
85 H GLY 10 HN GLY 10 -9.704 -1.596 -4.223
86 HA2 GLY 10 2HA GLY 10 -10.513 0.417 -5.335
87 HA3 GLY 10 1HA GLY 10 -12.048 0.175 -4.510
88 H ILE 11 HN ILE 11 -10.543 -0.541 -2.013
89 HA ILE 11 HA ILE 11 -10.374 2.156 -0.990
90 HB ILE 11 HB ILE 11 -9.850 -0.495 0.404
91 HG12 ILE 11 2HG1 ILE 11 -12.363 1.197 0.408
92 HG13 ILE 11 1HG1 ILE 11 -12.165 -0.301 -0.494
93 HG21 ILE 11 1HG2 ILE 11 -8.827 1.397 1.558
94 HG22 ILE 11 2HG2 ILE 11 -10.193 0.773 2.482
95 HG23 ILE 11 3HG2 ILE 11 -10.368 2.258 1.545
96 HD11 ILE 11 1HD1 ILE 11 -13.436 -0.648 1.547
97 HD12 ILE 11 2HD1 ILE 11 -12.100 -0.005 2.503
98 HD13 ILE 11 3HD1 ILE 11 -11.901 -1.515 1.615
99 H CYS 12 HN CYS 12 -8.506 3.253 -1.253
100 HA CYS 12 HA CYS 12 -6.055 1.682 -1.491
101 HB2 CYS 12 2HB CYS 12 -6.438 4.586 -2.207
102 HB3 CYS 12 1HB CYS 12 -5.056 3.572 -2.579
103 H TYR 13 HN TYR 13 -4.297 2.006 -0.314
104 HA TYR 13 HA TYR 13 -4.283 3.967 1.803
105 HB2 TYR 13 2HB TYR 13 -3.594 2.106 3.427
106 HB3 TYR 13 1HB TYR 13 -5.299 2.211 3.027
107 HD1 TYR 13 1HD TYR 13 -6.425 0.395 2.032
108 HD2 TYR 13 2HD TYR 13 -2.199 0.336 2.323
109 HE1 TYR 13 1HE TYR 13 -6.426 -1.948 1.374
110 HE2 TYR 13 2HE TYR 13 -2.188 -2.030 1.654
111 HH TYR 13 HH TYR 13 -4.727 -3.559 0.264
112 H ARG 14 HN ARG 14 -2.138 3.741 3.011
113 HA ARG 14 HA ARG 14 -0.027 3.633 0.980
114 HB2 ARG 14 2HB ARG 14 -0.507 5.657 2.476
115 HB3 ARG 14 1HB ARG 14 0.132 4.696 3.797
116 HG2 ARG 14 2HG ARG 14 1.903 6.058 3.088
117 HG3 ARG 14 1HG ARG 14 2.242 4.471 2.385
118 HD2 ARG 14 2HD ARG 14 2.591 6.250 0.751
119 HD3 ARG 14 1HD ARG 14 1.256 5.202 0.266
120 HE ARG 14 HE ARG 14 0.598 7.594 1.775
121 HH11 ARG 14 1HH1 ARG 14 0.827 6.158 -1.431
122 HH12 ARG 14 2HH1 ARG 14 -0.390 7.143 -2.118
123 HH21 ARG 14 1HH2 ARG 14 -1.028 8.971 0.843
124 HH22 ARG 14 2HH2 ARG 14 -1.470 8.811 -0.787
125 H ARG 15 HN ARG 15 1.312 1.854 1.032
126 HA ARG 15 HA ARG 15 1.891 0.685 3.661
127 HB2 ARG 15 2HB ARG 15 1.423 -0.798 1.080
128 HB3 ARG 15 1HB ARG 15 2.208 -1.546 2.482
129 HG2 ARG 15 2HG ARG 15 -0.582 -0.521 2.182
130 HG3 ARG 15 1HG ARG 15 -0.084 -2.201 2.310
131 HD2 ARG 15 2HD ARG 15 0.213 -0.125 4.494
132 HD3 ARG 15 1HD ARG 15 -1.037 -1.359 4.419
133 HE ARG 15 HE ARG 15 1.148 -2.834 4.286
134 HH11 ARG 15 1HH1 ARG 15 0.309 -0.202 6.534
135 HH12 ARG 15 2HH1 ARG 15 1.190 -0.873 7.821
136 HH21 ARG 15 1HH2 ARG 15 2.292 -3.732 6.080
137 HH22 ARG 15 2HH2 ARG 15 2.319 -2.906 7.575
138 H CYS 16 HN CYS 16 4.056 -0.401 3.700
139 HA CYS 16 HA CYS 16 5.784 0.808 1.694
140 HB2 CYS 16 2HB CYS 16 6.351 0.832 4.664
141 HB3 CYS 16 1HB CYS 16 7.328 1.559 3.397
142 H ARG 17 HN ARG 17 7.681 -0.241 1.332
143 HA ARG 17 HA ARG 17 8.056 -2.870 2.567
144 HB2 ARG 17 2HB ARG 17 7.213 -3.219 0.307
145 HB3 ARG 17 1HB ARG 17 8.347 -2.051 -0.340
146 HG2 ARG 17 2HG ARG 17 9.007 -4.323 -0.887
147 HG3 ARG 17 1HG ARG 17 10.195 -3.559 0.162
148 HD2 ARG 17 2HD ARG 17 9.353 -4.782 2.068
149 HD3 ARG 17 1HD ARG 17 8.041 -5.453 1.095
150 HE ARG 17 HE ARG 17 10.211 -6.199 -0.265
151 HH11 ARG 17 1HH1 ARG 17 9.463 -6.527 3.178
152 HH12 ARG 17 2HH1 ARG 17 10.194 -8.051 3.339
153 HH21 ARG 17 1HH2 ARG 17 11.253 -8.275 -0.055
154 HH22 ARG 17 2HH2 ARG 17 11.231 -9.077 1.453
155 H GLY 18 HN GLY 18 9.560 -2.153 3.974
156 HA2 GLY 18 2HA GLY 18 11.778 -1.767 4.561
157 HA3 GLY 18 1HA GLY 18 12.136 -1.427 2.865
Start of MODEL 6
1 H1 LYS 1 HN LYS 1 12.628 0.752 2.400
2 HA LYS 1 HA LYS 1 12.265 3.477 3.325
3 HB2 LYS 1 2HB LYS 1 13.419 2.444 0.742
4 HB3 LYS 1 1HB LYS 1 13.649 4.036 1.429
5 HG2 LYS 1 2HG LYS 1 15.007 3.169 3.189
6 HG3 LYS 1 1HG LYS 1 14.630 1.508 2.729
7 HD2 LYS 1 2HD LYS 1 16.092 3.489 0.976
8 HD3 LYS 1 1HD LYS 1 16.879 2.256 1.960
9 HE2 LYS 1 2HE LYS 1 15.641 0.516 0.697
10 HE3 LYS 1 1HE LYS 1 14.944 1.768 -0.319
11 HZ1 LYS 1 1HZ LYS 1 16.824 0.716 -1.382
12 HZ2 LYS 1 2HZ LYS 1 17.843 1.116 -0.124
13 HZ3 LYS 1 3HZ LYS 1 17.157 2.329 -1.098
14 H TRP 2 HN TRP 2 11.187 1.320 0.866
15 HA TRP 2 HA TRP 2 9.897 3.326 -0.718
16 HB2 TRP 2 2HB TRP 2 11.062 1.602 -1.872
17 HB3 TRP 2 1HB TRP 2 10.209 0.349 -0.989
18 HD1 TRP 2 1HD TRP 2 8.885 3.328 -3.131
19 HE1 TRP 2 1HE TRP 2 7.196 2.352 -4.827
20 HE3 TRP 2 3HE TRP 2 9.268 -1.610 -1.915
21 HZ2 TRP 2 2HZ TRP 2 6.199 -0.170 -5.563
22 HZ3 TRP 2 3HZ TRP 2 7.915 -3.245 -3.177
23 HH2 TRP 2 2HH TRP 2 6.420 -2.527 -4.953
24 H CYS 3 HN CYS 3 7.925 4.008 -0.411
25 HA CYS 3 HA CYS 3 5.951 2.181 0.727
26 HB2 CYS 3 2HB CYS 3 6.089 5.182 0.960
27 HB3 CYS 3 1HB CYS 3 4.773 4.183 1.570
28 H PHE 4 HN PHE 4 4.143 1.927 -0.390
29 HA PHE 4 HA PHE 4 3.861 3.417 -2.871
30 HB2 PHE 4 2HB PHE 4 3.432 1.236 -4.037
31 HB3 PHE 4 1HB PHE 4 5.092 1.484 -3.523
32 HD1 PHE 4 1HD PHE 4 5.806 0.337 -1.308
33 HD2 PHE 4 2HD PHE 4 2.311 -0.703 -3.480
34 HE1 PHE 4 1HE PHE 4 5.771 -1.841 -0.186
35 HE2 PHE 4 2HE PHE 4 2.268 -2.891 -2.358
36 HZ PHE 4 HZ PHE 4 3.992 -3.458 -0.709
37 H ARG 5 HN ARG 5 1.793 3.075 -3.902
38 HA ARG 5 HA ARG 5 -0.347 3.110 -1.934
39 HB2 ARG 5 2HB ARG 5 -0.277 4.933 -3.555
40 HB3 ARG 5 1HB ARG 5 -0.307 3.788 -4.881
41 HG2 ARG 5 2HG ARG 5 -2.555 3.096 -4.288
42 HG3 ARG 5 1HG ARG 5 -2.539 4.167 -2.889
43 HD2 ARG 5 2HD ARG 5 -2.379 6.103 -4.339
44 HD3 ARG 5 1HD ARG 5 -2.277 5.062 -5.759
45 HE ARG 5 HE ARG 5 -4.569 4.260 -4.734
46 HH11 ARG 5 1HH1 ARG 5 -3.411 7.548 -5.389
47 HH12 ARG 5 2HH1 ARG 5 -4.968 8.200 -5.584
48 HH21 ARG 5 1HH2 ARG 5 -6.708 5.178 -4.997
49 HH22 ARG 5 2HH2 ARG 5 -6.867 6.826 -5.342
50 H VAL 6 HN VAL 6 -1.749 1.481 -1.669
51 HA VAL 6 HA VAL 6 -1.871 -0.555 -3.779
52 HB VAL 6 HB VAL 6 -2.184 -1.067 -0.818
53 HG11 VAL 6 1HG1 VAL 6 -2.033 -2.948 -3.166
54 HG12 VAL 6 2HG1 VAL 6 -3.455 -2.600 -2.185
55 HG13 VAL 6 3HG1 VAL 6 -2.077 -3.439 -1.474
56 HG21 VAL 6 1HG2 VAL 6 0.160 -1.676 -2.605
57 HG22 VAL 6 2HG2 VAL 6 -0.032 -2.236 -0.944
58 HG23 VAL 6 3HG2 VAL 6 0.123 -0.514 -1.283
59 H CYS 7 HN CYS 7 -3.834 -0.758 -4.561
60 HA CYS 7 HA CYS 7 -6.048 0.200 -2.931
61 HB2 CYS 7 2HB CYS 7 -5.765 0.079 -5.933
62 HB3 CYS 7 1HB CYS 7 -7.217 0.588 -5.066
63 H TYR 8 HN TYR 8 -7.445 -1.219 -2.276
64 HA TYR 8 HA TYR 8 -7.648 -3.756 -3.695
65 HB2 TYR 8 2HB TYR 8 -6.177 -3.939 -1.659
66 HB3 TYR 8 1HB TYR 8 -7.550 -3.433 -0.685
67 HD1 TYR 8 1HD TYR 8 -9.172 -5.036 0.024
68 HD2 TYR 8 2HD TYR 8 -6.312 -6.087 -2.944
69 HE1 TYR 8 1HE TYR 8 -9.860 -7.390 0.191
70 HE2 TYR 8 2HE TYR 8 -6.985 -8.419 -2.792
71 HH TYR 8 HH TYR 8 -8.035 -9.897 -1.170
72 H ARG 9 HN ARG 9 -9.599 -3.638 -4.476
73 HA ARG 9 HA ARG 9 -11.818 -3.582 -4.700
74 HB2 ARG 9 2HB ARG 9 -11.882 -3.696 -1.683
75 HB3 ARG 9 1HB ARG 9 -13.280 -3.911 -2.728
76 HG2 ARG 9 2HG ARG 9 -12.134 -5.863 -3.749
77 HG3 ARG 9 1HG ARG 9 -10.852 -5.673 -2.555
78 HD2 ARG 9 2HD ARG 9 -13.764 -6.209 -1.970
79 HD3 ARG 9 1HD ARG 9 -12.451 -7.377 -1.880
80 HE ARG 9 HE ARG 9 -12.265 -5.005 -0.201
81 HH11 ARG 9 1HH1 ARG 9 -13.039 -8.453 -0.437
82 HH12 ARG 9 2HH1 ARG 9 -12.905 -8.732 1.242
83 HH21 ARG 9 1HH2 ARG 9 -12.076 -5.423 2.116
84 HH22 ARG 9 2HH2 ARG 9 -12.358 -6.999 2.702
85 H GLY 10 HN GLY 10 -10.249 -1.100 -4.264
86 HA2 GLY 10 2HA GLY 10 -11.214 1.058 -4.839
87 HA3 GLY 10 1HA GLY 10 -12.563 0.653 -3.796
88 H ILE 11 HN ILE 11 -10.550 -0.465 -1.840
89 HA ILE 11 HA ILE 11 -10.158 2.050 -0.482
90 HB ILE 11 HB ILE 11 -9.723 -0.803 0.457
91 HG12 ILE 11 2HG1 ILE 11 -11.917 1.195 1.065
92 HG13 ILE 11 1HG1 ILE 11 -12.079 -0.266 0.105
93 HG21 ILE 11 1HG2 ILE 11 -9.602 1.762 2.042
94 HG22 ILE 11 2HG2 ILE 11 -8.224 0.752 1.616
95 HG23 ILE 11 3HG2 ILE 11 -9.467 0.134 2.707
96 HD11 ILE 11 1HD1 ILE 11 -13.010 -0.566 2.325
97 HD12 ILE 11 2HD1 ILE 11 -11.457 -0.143 3.046
98 HD13 ILE 11 3HD1 ILE 11 -11.612 -1.617 2.090
99 H CYS 12 HN CYS 12 -8.325 3.104 -0.806
100 HA CYS 12 HA CYS 12 -5.949 1.535 -1.492
101 HB2 CYS 12 2HB CYS 12 -6.378 4.499 -1.873
102 HB3 CYS 12 1HB CYS 12 -5.003 3.558 -2.414
103 H TYR 13 HN TYR 13 -4.397 1.374 -0.157
104 HA TYR 13 HA TYR 13 -4.193 3.273 2.041
105 HB2 TYR 13 2HB TYR 13 -3.316 1.252 3.392
106 HB3 TYR 13 1HB TYR 13 -5.048 1.409 3.160
107 HD1 TYR 13 1HD TYR 13 -6.281 -0.273 2.059
108 HD2 TYR 13 2HD TYR 13 -2.022 -0.450 1.991
109 HE1 TYR 13 1HE TYR 13 -6.395 -2.543 1.159
110 HE2 TYR 13 2HE TYR 13 -2.136 -2.713 1.105
111 HH TYR 13 HH TYR 13 -4.976 -4.097 -0.132
112 H ARG 14 HN ARG 14 -2.044 3.362 2.984
113 HA ARG 14 HA ARG 14 -0.072 3.268 0.842
114 HB2 ARG 14 2HB ARG 14 -0.599 5.325 2.359
115 HB3 ARG 14 1HB ARG 14 0.316 4.457 3.582
116 HG2 ARG 14 2HG ARG 14 1.781 6.009 2.528
117 HG3 ARG 14 1HG ARG 14 2.234 4.393 1.974
118 HD2 ARG 14 2HD ARG 14 0.945 4.734 -0.082
119 HD3 ARG 14 1HD ARG 14 0.472 6.331 0.487
120 HE ARG 14 HE ARG 14 3.167 6.408 0.504
121 HH11 ARG 14 1HH1 ARG 14 0.672 5.799 -1.943
122 HH12 ARG 14 2HH1 ARG 14 1.679 6.181 -3.265
123 HH21 ARG 14 1HH2 ARG 14 4.534 6.965 -1.380
124 HH22 ARG 14 2HH2 ARG 14 3.869 6.793 -2.942
125 H ARG 15 HN ARG 15 1.327 1.605 0.839
126 HA ARG 15 HA ARG 15 1.775 0.186 3.373
127 HB2 ARG 15 2HB ARG 15 1.751 -0.721 0.540
128 HB3 ARG 15 1HB ARG 15 2.577 -1.703 1.773
129 HG2 ARG 15 2HG ARG 15 -0.314 -0.995 1.402
130 HG3 ARG 15 1HG ARG 15 0.432 -2.565 1.200
131 HD2 ARG 15 2HD ARG 15 -0.673 -2.719 3.258
132 HD3 ARG 15 1HD ARG 15 1.019 -2.441 3.666
133 HE ARG 15 HE ARG 15 0.027 0.051 3.732
134 HH11 ARG 15 1HH1 ARG 15 -1.135 -2.940 5.198
135 HH12 ARG 15 2HH1 ARG 15 -1.867 -2.181 6.528
136 HH21 ARG 15 1HH2 ARG 15 -0.922 1.119 5.527
137 HH22 ARG 15 2HH2 ARG 15 -1.736 0.204 6.717
138 H CYS 16 HN CYS 16 3.854 -0.306 3.956
139 HA CYS 16 HA CYS 16 5.900 0.979 2.332
140 HB2 CYS 16 2HB CYS 16 5.641 1.084 5.338
141 HB3 CYS 16 1HB CYS 16 7.099 1.540 4.467
142 H ARG 17 HN ARG 17 7.608 -0.109 1.901
143 HA ARG 17 HA ARG 17 8.121 -2.584 3.344
144 HB2 ARG 17 2HB ARG 17 7.098 -3.035 1.135
145 HB3 ARG 17 1HB ARG 17 8.341 -2.067 0.366
146 HG2 ARG 17 2HG ARG 17 10.026 -3.699 1.038
147 HG3 ARG 17 1HG ARG 17 8.775 -4.662 1.837
148 HD2 ARG 17 2HD ARG 17 7.616 -4.954 -0.274
149 HD3 ARG 17 1HD ARG 17 8.801 -3.939 -1.087
150 HE ARG 17 HE ARG 17 10.118 -6.059 0.168
151 HH11 ARG 17 1HH1 ARG 17 7.828 -5.575 -2.519
152 HH12 ARG 17 2HH1 ARG 17 8.461 -6.836 -3.453
153 HH21 ARG 17 1HH2 ARG 17 10.941 -7.849 -1.147
154 HH22 ARG 17 2HH2 ARG 17 10.245 -8.156 -2.664
155 H GLY 18 HN GLY 18 9.410 -1.124 4.574
156 HA2 GLY 18 2HA GLY 18 11.563 -0.595 5.185
157 HA3 GLY 18 1HA GLY 18 12.090 -0.906 3.533
Start of MODEL 7
1 H1 LYS 1 HN LYS 1 12.347 0.459 2.047
2 HA LYS 1 HA LYS 1 11.505 2.810 3.610
3 HB2 LYS 1 2HB LYS 1 13.864 2.522 1.746
4 HB3 LYS 1 1HB LYS 1 13.425 3.983 2.624
5 HG2 LYS 1 2HG LYS 1 13.665 2.692 4.719
6 HG3 LYS 1 1HG LYS 1 14.313 1.366 3.772
7 HD2 LYS 1 2HD LYS 1 16.119 2.789 2.941
8 HD3 LYS 1 1HD LYS 1 15.496 4.142 3.889
9 HE2 LYS 1 2HE LYS 1 15.861 2.867 5.939
10 HE3 LYS 1 1HE LYS 1 16.479 1.519 4.984
11 HZ1 LYS 1 1HZ LYS 1 18.261 2.947 4.206
12 HZ2 LYS 1 2HZ LYS 1 18.280 2.823 5.879
13 HZ3 LYS 1 3HZ LYS 1 17.688 4.224 5.148
14 H TRP 2 HN TRP 2 10.409 1.153 1.396
15 HA TRP 2 HA TRP 2 9.883 3.266 -0.586
16 HB2 TRP 2 2HB TRP 2 10.906 1.350 -1.618
17 HB3 TRP 2 1HB TRP 2 9.813 0.253 -0.800
18 HD1 TRP 2 1HD TRP 2 9.166 3.276 -3.195
19 HE1 TRP 2 1HE TRP 2 7.527 2.464 -5.028
20 HE3 TRP 2 3HE TRP 2 8.628 -1.567 -1.708
21 HZ2 TRP 2 2HZ TRP 2 6.210 0.070 -5.743
22 HZ3 TRP 2 3HZ TRP 2 7.178 -3.060 -3.021
23 HH2 TRP 2 2HH TRP 2 5.997 -2.253 -4.992
24 H CYS 3 HN CYS 3 7.956 4.207 -0.399
25 HA CYS 3 HA CYS 3 5.808 2.689 0.876
26 HB2 CYS 3 2HB CYS 3 6.229 5.682 0.742
27 HB3 CYS 3 1HB CYS 3 4.837 4.889 1.473
28 H PHE 4 HN PHE 4 4.222 2.115 -0.335
29 HA PHE 4 HA PHE 4 3.807 3.497 -2.869
30 HB2 PHE 4 2HB PHE 4 3.440 1.310 -3.968
31 HB3 PHE 4 1HB PHE 4 5.075 1.487 -3.361
32 HD1 PHE 4 1HD PHE 4 2.296 -0.650 -3.567
33 HD2 PHE 4 2HD PHE 4 5.483 0.430 -0.963
34 HE1 PHE 4 1HE PHE 4 2.082 -2.805 -2.401
35 HE2 PHE 4 2HE PHE 4 5.258 -1.712 0.208
36 HZ PHE 4 HZ PHE 4 3.558 -3.336 -0.514
37 H ARG 5 HN ARG 5 1.710 3.035 -3.824
38 HA ARG 5 HA ARG 5 -0.343 3.128 -1.749
39 HB2 ARG 5 2HB ARG 5 -0.148 4.968 -3.441
40 HB3 ARG 5 1HB ARG 5 -0.508 3.794 -4.695
41 HG2 ARG 5 2HG ARG 5 -2.707 3.400 -3.680
42 HG3 ARG 5 1HG ARG 5 -2.330 4.599 -2.441
43 HD2 ARG 5 2HD ARG 5 -2.040 6.288 -4.219
44 HD3 ARG 5 1HD ARG 5 -2.533 5.088 -5.412
45 HE ARG 5 HE ARG 5 -4.303 5.785 -3.197
46 HH11 ARG 5 1HH1 ARG 5 -3.698 5.707 -6.719
47 HH12 ARG 5 2HH1 ARG 5 -5.231 6.273 -7.140
48 HH21 ARG 5 1HH2 ARG 5 -6.499 6.556 -3.854
49 HH22 ARG 5 2HH2 ARG 5 -6.841 6.739 -5.502
50 H VAL 6 HN VAL 6 -1.823 1.542 -1.587
51 HA VAL 6 HA VAL 6 -1.814 -0.534 -3.668
52 HB VAL 6 HB VAL 6 -2.405 -0.982 -0.739
53 HG11 VAL 6 1HG1 VAL 6 -3.407 -2.601 -2.221
54 HG12 VAL 6 2HG1 VAL 6 -2.122 -3.351 -1.275
55 HG13 VAL 6 3HG1 VAL 6 -1.840 -2.928 -2.965
56 HG21 VAL 6 1HG2 VAL 6 -0.198 -2.053 -0.527
57 HG22 VAL 6 2HG2 VAL 6 -0.074 -0.331 -0.886
58 HG23 VAL 6 3HG2 VAL 6 0.199 -1.518 -2.160
59 H CYS 7 HN CYS 7 -3.740 -0.602 -4.594
60 HA CYS 7 HA CYS 7 -6.057 0.279 -3.050
61 HB2 CYS 7 2HB CYS 7 -5.640 0.160 -6.043
62 HB3 CYS 7 1HB CYS 7 -7.169 0.554 -5.255
63 H TYR 8 HN TYR 8 -7.254 -1.231 -2.305
64 HA TYR 8 HA TYR 8 -7.380 -3.778 -3.710
65 HB2 TYR 8 2HB TYR 8 -5.816 -3.879 -1.766
66 HB3 TYR 8 1HB TYR 8 -7.135 -3.372 -0.722
67 HD1 TYR 8 1HD TYR 8 -5.973 -6.085 -2.950
68 HD2 TYR 8 2HD TYR 8 -8.669 -4.968 0.140
69 HE1 TYR 8 1HE TYR 8 -6.564 -8.440 -2.625
70 HE2 TYR 8 2HE TYR 8 -9.267 -7.319 0.475
71 HH TYR 8 HH TYR 8 -9.211 -9.488 -1.024
72 H ARG 9 HN ARG 9 -9.382 -3.838 -4.375
73 HA ARG 9 HA ARG 9 -11.608 -3.920 -4.460
74 HB2 ARG 9 2HB ARG 9 -11.388 -3.960 -1.454
75 HB3 ARG 9 1HB ARG 9 -12.898 -4.173 -2.321
76 HG2 ARG 9 2HG ARG 9 -12.025 -6.179 -3.374
77 HG3 ARG 9 1HG ARG 9 -10.488 -5.964 -2.528
78 HD2 ARG 9 2HD ARG 9 -11.953 -7.597 -1.411
79 HD3 ARG 9 1HD ARG 9 -11.609 -6.201 -0.393
80 HE ARG 9 HE ARG 9 -13.976 -5.741 -1.827
81 HH11 ARG 9 1HH1 ARG 9 -12.798 -7.772 0.830
82 HH12 ARG 9 2HH1 ARG 9 -14.308 -7.867 1.601
83 HH21 ARG 9 1HH2 ARG 9 -16.053 -5.852 -0.744
84 HH22 ARG 9 2HH2 ARG 9 -16.204 -6.766 0.671
85 H GLY 10 HN GLY 10 -10.187 -1.314 -4.266
86 HA2 GLY 10 2HA GLY 10 -11.253 0.758 -4.836
87 HA3 GLY 10 1HA GLY 10 -12.565 0.338 -3.742
88 H ILE 11 HN ILE 11 -10.465 -0.627 -1.818
89 HA ILE 11 HA ILE 11 -10.161 1.912 -0.470
90 HB ILE 11 HB ILE 11 -9.446 -0.892 0.460
91 HG12 ILE 11 2HG1 ILE 11 -11.920 0.746 1.088
92 HG13 ILE 11 1HG1 ILE 11 -11.873 -0.596 -0.047
93 HG21 ILE 11 1HG2 ILE 11 -9.444 0.097 2.714
94 HG22 ILE 11 2HG2 ILE 11 -9.776 1.682 2.018
95 HG23 ILE 11 3HG2 ILE 11 -8.248 0.874 1.673
96 HD11 ILE 11 1HD1 ILE 11 -11.297 -2.110 1.781
97 HD12 ILE 11 2HD1 ILE 11 -12.810 -1.259 2.095
98 HD13 ILE 11 3HD1 ILE 11 -11.328 -0.756 2.909
99 H CYS 12 HN CYS 12 -8.378 3.039 -0.873
100 HA CYS 12 HA CYS 12 -5.950 1.575 -1.584
101 HB2 CYS 12 2HB CYS 12 -6.488 4.518 -1.990
102 HB3 CYS 12 1HB CYS 12 -5.115 3.603 -2.563
103 H TYR 13 HN TYR 13 -4.317 1.586 -0.330
104 HA TYR 13 HA TYR 13 -4.162 3.535 1.811
105 HB2 TYR 13 2HB TYR 13 -3.396 1.647 3.327
106 HB3 TYR 13 1HB TYR 13 -5.109 1.689 2.954
107 HD1 TYR 13 1HD TYR 13 -6.152 -0.122 1.769
108 HD2 TYR 13 2HD TYR 13 -1.945 -0.072 2.332
109 HE1 TYR 13 1HE TYR 13 -6.049 -2.469 1.091
110 HE2 TYR 13 2HE TYR 13 -1.825 -2.430 1.646
111 HH TYR 13 HH TYR 13 -4.319 -4.041 0.127
112 H ARG 14 HN ARG 14 -2.023 3.614 2.755
113 HA ARG 14 HA ARG 14 0.020 3.154 0.725
114 HB2 ARG 14 2HB ARG 14 -0.223 5.124 2.980
115 HB3 ARG 14 1HB ARG 14 1.330 4.781 2.234
116 HG2 ARG 14 2HG ARG 14 -1.074 5.706 0.691
117 HG3 ARG 14 1HG ARG 14 0.140 6.800 1.362
118 HD2 ARG 14 2HD ARG 14 1.873 5.712 0.071
119 HD3 ARG 14 1HD ARG 14 0.718 4.546 -0.561
120 HE ARG 14 HE ARG 14 -0.332 6.914 -1.266
121 HH11 ARG 14 1HH1 ARG 14 2.933 5.540 -1.711
122 HH12 ARG 14 2HH1 ARG 14 3.191 6.310 -3.199
123 HH21 ARG 14 1HH2 ARG 14 0.057 7.916 -3.349
124 HH22 ARG 14 2HH2 ARG 14 1.520 7.686 -4.152
125 H ARG 15 HN ARG 15 1.465 1.672 1.040
126 HA ARG 15 HA ARG 15 1.993 0.794 3.785
127 HB2 ARG 15 2HB ARG 15 1.799 -0.834 1.270
128 HB3 ARG 15 1HB ARG 15 2.678 -1.426 2.679
129 HG2 ARG 15 2HG ARG 15 -0.230 -0.715 2.523
130 HG3 ARG 15 1HG ARG 15 0.415 -2.350 2.454
131 HD2 ARG 15 2HD ARG 15 -0.384 -2.012 4.680
132 HD3 ARG 15 1HD ARG 15 1.373 -1.949 4.762
133 HE ARG 15 HE ARG 15 0.219 0.650 4.454
134 HH11 ARG 15 1HH1 ARG 15 0.891 -1.808 6.907
135 HH12 ARG 15 2HH1 ARG 15 0.877 -0.675 8.190
136 HH21 ARG 15 1HH2 ARG 15 0.224 2.146 6.193
137 HH22 ARG 15 2HH2 ARG 15 0.516 1.594 7.777
138 H CYS 16 HN CYS 16 4.109 0.392 4.288
139 HA CYS 16 HA CYS 16 6.007 1.279 2.264
140 HB2 CYS 16 2HB CYS 16 6.176 1.665 5.263
141 HB3 CYS 16 1HB CYS 16 7.410 2.142 4.101
142 H ARG 17 HN ARG 17 7.155 -0.248 1.580
143 HA ARG 17 HA ARG 17 7.710 -2.563 3.284
144 HB2 ARG 17 2HB ARG 17 6.440 -3.032 1.202
145 HB3 ARG 17 1HB ARG 17 7.731 -2.313 0.255
146 HG2 ARG 17 2HG ARG 17 9.207 -4.110 0.835
147 HG3 ARG 17 1HG ARG 17 8.037 -4.770 1.978
148 HD2 ARG 17 2HD ARG 17 6.452 -5.091 0.090
149 HD3 ARG 17 1HD ARG 17 7.707 -4.540 -1.013
150 HE ARG 17 HE ARG 17 8.966 -6.527 0.152
151 HH11 ARG 17 1HH1 ARG 17 5.614 -6.467 -1.044
152 HH12 ARG 17 2HH1 ARG 17 5.581 -8.129 -1.392
153 HH21 ARG 17 1HH2 ARG 17 8.894 -8.803 -0.372
154 HH22 ARG 17 2HH2 ARG 17 7.479 -9.477 -1.029
155 H GLY 18 HN GLY 18 9.449 -1.874 4.297
156 HA2 GLY 18 2HA GLY 18 11.727 -1.579 4.545
157 HA3 GLY 18 1HA GLY 18 11.881 -1.467 2.788
Start of MODEL 8
1 H1 LYS 1 HN LYS 1 12.533 0.362 1.938
2 HA LYS 1 HA LYS 1 12.356 2.850 3.493
3 HB2 LYS 1 2HB LYS 1 14.084 3.773 2.026
4 HB3 LYS 1 1HB LYS 1 14.644 2.325 2.848
5 HG2 LYS 1 2HG LYS 1 14.360 1.030 0.838
6 HG3 LYS 1 1HG LYS 1 13.650 2.417 0.007
7 HD2 LYS 1 2HD LYS 1 15.767 3.637 0.290
8 HD3 LYS 1 1HD LYS 1 16.467 2.218 1.073
9 HE2 LYS 1 2HE LYS 1 16.126 0.917 -0.958
10 HE3 LYS 1 1HE LYS 1 15.380 2.306 -1.739
11 HZ1 LYS 1 1HZ LYS 1 18.180 2.177 -0.776
12 HZ2 LYS 1 2HZ LYS 1 17.481 3.487 -1.559
13 HZ3 LYS 1 3HZ LYS 1 17.689 2.031 -2.384
14 H TRP 2 HN TRP 2 10.626 1.230 1.285
15 HA TRP 2 HA TRP 2 9.945 3.676 -0.171
16 HB2 TRP 2 2HB TRP 2 11.067 2.114 -1.656
17 HB3 TRP 2 1HB TRP 2 9.950 0.839 -1.210
18 HD1 TRP 2 1HD TRP 2 9.269 4.461 -2.508
19 HE1 TRP 2 1HE TRP 2 7.647 4.266 -4.539
20 HE3 TRP 2 3HE TRP 2 8.857 -0.621 -2.751
21 HZ2 TRP 2 2HZ TRP 2 6.414 2.230 -6.017
22 HZ3 TRP 2 3HZ TRP 2 7.449 -1.612 -4.505
23 HH2 TRP 2 2HH TRP 2 6.254 -0.211 -6.102
24 H CYS 3 HN CYS 3 7.897 4.281 -0.254
25 HA CYS 3 HA CYS 3 5.881 2.536 0.939
26 HB2 CYS 3 2HB CYS 3 6.126 5.544 1.035
27 HB3 CYS 3 1HB CYS 3 4.725 4.643 1.606
28 H PHE 4 HN PHE 4 4.282 1.995 -0.304
29 HA PHE 4 HA PHE 4 3.817 3.460 -2.791
30 HB2 PHE 4 2HB PHE 4 3.298 1.157 -3.776
31 HB3 PHE 4 1HB PHE 4 4.990 1.522 -3.478
32 HD1 PHE 4 1HD PHE 4 6.213 0.388 -1.707
33 HD2 PHE 4 2HD PHE 4 2.142 -0.550 -2.498
34 HE1 PHE 4 1HE PHE 4 6.439 -1.667 -0.384
35 HE2 PHE 4 2HE PHE 4 2.357 -2.615 -1.172
36 HZ PHE 4 HZ PHE 4 4.505 -3.177 -0.110
37 H ARG 5 HN ARG 5 1.634 3.065 -3.680
38 HA ARG 5 HA ARG 5 -0.263 2.871 -1.460
39 HB2 ARG 5 2HB ARG 5 -0.030 5.039 -2.803
40 HB3 ARG 5 1HB ARG 5 -0.717 4.155 -4.153
41 HG2 ARG 5 2HG ARG 5 -2.749 3.754 -2.872
42 HG3 ARG 5 1HG ARG 5 -2.058 4.623 -1.501
43 HD2 ARG 5 2HD ARG 5 -1.830 6.624 -2.990
44 HD3 ARG 5 1HD ARG 5 -2.722 5.732 -4.222
45 HE ARG 5 HE ARG 5 -3.888 6.150 -1.578
46 HH11 ARG 5 1HH1 ARG 5 -3.991 6.802 -5.072
47 HH12 ARG 5 2HH1 ARG 5 -5.555 7.438 -5.061
48 HH21 ARG 5 1HH2 ARG 5 -6.062 7.097 -1.560
49 HH22 ARG 5 2HH2 ARG 5 -6.762 7.620 -3.019
50 H VAL 6 HN VAL 6 -1.853 1.378 -1.593
51 HA VAL 6 HA VAL 6 -1.887 -0.346 -3.979
52 HB VAL 6 HB VAL 6 -2.304 -1.176 -1.086
53 HG11 VAL 6 1HG1 VAL 6 -2.303 -3.477 -1.943
54 HG12 VAL 6 2HG1 VAL 6 -2.187 -2.847 -3.586
55 HG13 VAL 6 3HG1 VAL 6 -3.624 -2.517 -2.616
56 HG21 VAL 6 1HG2 VAL 6 -0.205 -2.431 -1.300
57 HG22 VAL 6 2HG2 VAL 6 0.043 -0.694 -1.493
58 HG23 VAL 6 3HG2 VAL 6 0.029 -1.745 -2.909
59 H CYS 7 HN CYS 7 -3.889 -0.548 -4.841
60 HA CYS 7 HA CYS 7 -6.131 0.297 -3.185
61 HB2 CYS 7 2HB CYS 7 -5.859 0.249 -6.205
62 HB3 CYS 7 1HB CYS 7 -7.324 0.678 -5.334
63 H TYR 8 HN TYR 8 -7.504 -1.190 -2.596
64 HA TYR 8 HA TYR 8 -7.756 -3.624 -4.126
65 HB2 TYR 8 2HB TYR 8 -5.900 -3.913 -2.432
66 HB3 TYR 8 1HB TYR 8 -7.082 -3.609 -1.179
67 HD1 TYR 8 1HD TYR 8 -6.644 -5.840 -4.136
68 HD2 TYR 8 2HD TYR 8 -8.069 -5.443 -0.152
69 HE1 TYR 8 1HE TYR 8 -7.236 -8.204 -4.123
70 HE2 TYR 8 2HE TYR 8 -8.680 -7.810 -0.125
71 HH TYR 8 HH TYR 8 -9.210 -9.601 -1.725
72 H ARG 9 HN ARG 9 -9.841 -4.002 -4.267
73 HA ARG 9 HA ARG 9 -12.048 -4.084 -3.932
74 HB2 ARG 9 2HB ARG 9 -11.361 -3.695 -1.016
75 HB3 ARG 9 1HB ARG 9 -12.958 -4.106 -1.613
76 HG2 ARG 9 2HG ARG 9 -12.037 -6.194 -2.541
77 HG3 ARG 9 1HG ARG 9 -10.469 -5.780 -1.847
78 HD2 ARG 9 2HD ARG 9 -13.034 -6.182 -0.320
79 HD3 ARG 9 1HD ARG 9 -11.696 -7.332 -0.418
80 HE ARG 9 HE ARG 9 -10.549 -5.059 0.510
81 HH11 ARG 9 1HH1 ARG 9 -13.301 -6.987 1.630
82 HH12 ARG 9 2HH1 ARG 9 -13.048 -6.631 3.276
83 HH21 ARG 9 1HH2 ARG 9 -10.231 -4.553 2.760
84 HH22 ARG 9 2HH2 ARG 9 -11.278 -5.198 3.934
85 H GLY 10 HN GLY 10 -10.562 -1.442 -4.148
86 HA2 GLY 10 2HA GLY 10 -11.593 0.569 -4.786
87 HA3 GLY 10 1HA GLY 10 -12.924 0.218 -3.686
88 H ILE 11 HN ILE 11 -10.375 -0.587 -1.942
89 HA ILE 11 HA ILE 11 -10.237 2.039 -0.662
90 HB ILE 11 HB ILE 11 -9.411 -0.678 0.406
91 HG12 ILE 11 2HG1 ILE 11 -11.929 0.906 0.965
92 HG13 ILE 11 1HG1 ILE 11 -11.832 -0.552 -0.014
93 HG21 ILE 11 1HG2 ILE 11 -9.367 0.444 2.590
94 HG22 ILE 11 2HG2 ILE 11 -9.796 1.967 1.816
95 HG23 ILE 11 3HG2 ILE 11 -8.247 1.206 1.459
96 HD11 ILE 11 1HD1 ILE 11 -12.699 -1.022 2.210
97 HD12 ILE 11 2HD1 ILE 11 -11.225 -0.370 2.928
98 HD13 ILE 11 3HD1 ILE 11 -11.157 -1.834 1.947
99 H CYS 12 HN CYS 12 -8.357 3.147 -0.931
100 HA CYS 12 HA CYS 12 -6.023 1.574 -1.705
101 HB2 CYS 12 2HB CYS 12 -6.387 4.557 -2.052
102 HB3 CYS 12 1HB CYS 12 -5.101 3.559 -2.674
103 H TYR 13 HN TYR 13 -4.314 1.599 -0.469
104 HA TYR 13 HA TYR 13 -4.178 3.484 1.731
105 HB2 TYR 13 2HB TYR 13 -3.410 1.450 3.178
106 HB3 TYR 13 1HB TYR 13 -5.125 1.750 2.940
107 HD1 TYR 13 1HD TYR 13 -6.494 0.024 2.187
108 HD2 TYR 13 2HD TYR 13 -2.305 -0.303 1.574
109 HE1 TYR 13 1HE TYR 13 -6.799 -2.268 1.380
110 HE2 TYR 13 2HE TYR 13 -2.593 -2.599 0.774
111 HH TYR 13 HH TYR 13 -4.259 -4.425 1.042
112 H ARG 14 HN ARG 14 -2.149 3.830 2.557
113 HA ARG 14 HA ARG 14 -0.001 3.356 0.647
114 HB2 ARG 14 2HB ARG 14 -0.404 5.635 1.452
115 HB3 ARG 14 1HB ARG 14 -0.185 5.108 3.110
116 HG2 ARG 14 2HG ARG 14 1.776 6.266 2.394
117 HG3 ARG 14 1HG ARG 14 2.174 4.555 2.555
118 HD2 ARG 14 2HD ARG 14 3.155 5.512 0.532
119 HD3 ARG 14 1HD ARG 14 1.963 4.278 0.138
120 HE ARG 14 HE ARG 14 0.567 6.619 0.085
121 HH11 ARG 14 1HH1 ARG 14 3.552 5.586 -1.560
122 HH12 ARG 14 2HH1 ARG 14 3.170 6.438 -2.985
123 HH21 ARG 14 1HH2 ARG 14 0.122 7.774 -1.853
124 HH22 ARG 14 2HH2 ARG 14 1.200 7.692 -3.174
125 H ARG 15 HN ARG 15 1.301 1.679 0.985
126 HA ARG 15 HA ARG 15 1.757 0.768 3.740
127 HB2 ARG 15 2HB ARG 15 1.591 -0.855 1.193
128 HB3 ARG 15 1HB ARG 15 2.188 -1.504 2.717
129 HG2 ARG 15 2HG ARG 15 -0.552 -0.408 2.216
130 HG3 ARG 15 1HG ARG 15 -0.156 -2.127 2.143
131 HD2 ARG 15 2HD ARG 15 -1.167 -1.749 4.261
132 HD3 ARG 15 1HD ARG 15 0.556 -1.888 4.589
133 HE ARG 15 HE ARG 15 -0.055 0.821 4.231
134 HH11 ARG 15 1HH1 ARG 15 -0.797 -1.716 6.575
135 HH12 ARG 15 2HH1 ARG 15 -0.996 -0.650 7.878
136 HH21 ARG 15 1HH2 ARG 15 -0.313 2.270 5.956
137 HH22 ARG 15 2HH2 ARG 15 -0.724 1.720 7.511
138 H CYS 16 HN CYS 16 3.950 -0.176 4.028
139 HA CYS 16 HA CYS 16 5.848 0.944 2.110
140 HB2 CYS 16 2HB CYS 16 6.072 1.188 5.117
141 HB3 CYS 16 1HB CYS 16 7.225 1.781 3.933
142 H ARG 17 HN ARG 17 7.803 -0.132 1.997
143 HA ARG 17 HA ARG 17 8.168 -2.489 3.654
144 HB2 ARG 17 2HB ARG 17 7.000 -3.228 1.568
145 HB3 ARG 17 1HB ARG 17 8.317 -2.543 0.627
146 HG2 ARG 17 2HG ARG 17 9.877 -4.104 1.670
147 HG3 ARG 17 1HG ARG 17 8.553 -4.792 2.609
148 HD2 ARG 17 2HD ARG 17 7.424 -5.412 0.499
149 HD3 ARG 17 1HD ARG 17 8.816 -4.799 -0.397
150 HE ARG 17 HE ARG 17 9.862 -6.555 1.387
151 HH11 ARG 17 1HH1 ARG 17 7.458 -6.819 -1.193
152 HH12 ARG 17 2HH1 ARG 17 7.718 -8.475 -1.458
153 HH21 ARG 17 1HH2 ARG 17 10.243 -8.823 0.988
154 HH22 ARG 17 2HH2 ARG 17 9.349 -9.629 -0.224
155 H GLY 18 HN GLY 18 9.931 -1.617 4.631
156 HA2 GLY 18 2HA GLY 18 12.238 -1.422 4.769
157 HA3 GLY 18 1HA GLY 18 12.321 -1.462 3.013
Start of MODEL 9
1 H1 LYS 1 HN LYS 1 13.037 1.162 2.567
2 HA LYS 1 HA LYS 1 11.720 3.512 3.637
3 HB2 LYS 1 2HB LYS 1 13.346 4.795 2.357
4 HB3 LYS 1 1HB LYS 1 14.137 3.575 3.340
5 HG2 LYS 1 2HG LYS 1 14.400 2.168 1.351
6 HG3 LYS 1 1HG LYS 1 13.608 3.414 0.383
7 HD2 LYS 1 2HD LYS 1 15.356 5.003 1.002
8 HD3 LYS 1 1HD LYS 1 16.145 3.752 1.958
9 HE2 LYS 1 2HE LYS 1 16.417 2.403 -0.085
10 HE3 LYS 1 1HE LYS 1 15.687 3.709 -1.016
11 HZ1 LYS 1 1HZ LYS 1 18.085 3.789 -1.115
12 HZ2 LYS 1 2HZ LYS 1 18.171 3.866 0.563
13 HZ3 LYS 1 3HZ LYS 1 17.504 5.156 -0.289
14 H TRP 2 HN TRP 2 10.886 1.427 1.311
15 HA TRP 2 HA TRP 2 9.957 3.456 -0.564
16 HB2 TRP 2 2HB TRP 2 11.202 1.728 -1.654
17 HB3 TRP 2 1HB TRP 2 10.310 0.471 -0.812
18 HD1 TRP 2 1HD TRP 2 9.246 3.389 -3.181
19 HE1 TRP 2 1HE TRP 2 7.585 2.412 -4.883
20 HE3 TRP 2 3HE TRP 2 9.186 -1.450 -1.587
21 HZ2 TRP 2 2HZ TRP 2 6.420 -0.066 -5.491
22 HZ3 TRP 2 3HZ TRP 2 7.772 -3.077 -2.789
23 HH2 TRP 2 2HH TRP 2 6.420 -2.392 -4.701
24 H CYS 3 HN CYS 3 7.921 4.091 -0.471
25 HA CYS 3 HA CYS 3 5.979 2.299 0.764
26 HB2 CYS 3 2HB CYS 3 5.980 5.316 0.650
27 HB3 CYS 3 1HB CYS 3 4.676 4.334 1.311
28 H PHE 4 HN PHE 4 4.088 1.945 -0.231
29 HA PHE 4 HA PHE 4 3.760 3.008 -2.911
30 HB2 PHE 4 2HB PHE 4 3.267 0.653 -3.682
31 HB3 PHE 4 1HB PHE 4 4.953 1.002 -3.335
32 HD1 PHE 4 1HD PHE 4 5.988 0.121 -1.256
33 HD2 PHE 4 2HD PHE 4 2.072 -0.998 -2.465
34 HE1 PHE 4 1HE PHE 4 6.075 -1.784 0.268
35 HE2 PHE 4 2HE PHE 4 2.151 -2.913 -0.933
36 HZ PHE 4 HZ PHE 4 4.156 -3.309 0.443
37 H ARG 5 HN ARG 5 1.679 2.721 -3.755
38 HA ARG 5 HA ARG 5 -0.438 2.737 -1.736
39 HB2 ARG 5 2HB ARG 5 -0.339 4.693 -3.150
40 HB3 ARG 5 1HB ARG 5 -0.284 3.700 -4.596
41 HG2 ARG 5 2HG ARG 5 -2.579 2.943 -4.145
42 HG3 ARG 5 1HG ARG 5 -2.626 3.981 -2.717
43 HD2 ARG 5 2HD ARG 5 -2.351 5.945 -4.072
44 HD3 ARG 5 1HD ARG 5 -2.103 4.968 -5.517
45 HE ARG 5 HE ARG 5 -4.526 4.176 -4.734
46 HH11 ARG 5 1HH1 ARG 5 -3.174 7.402 -5.166
47 HH12 ARG 5 2HH1 ARG 5 -4.637 8.130 -5.641
48 HH21 ARG 5 1HH2 ARG 5 -6.592 5.190 -5.405
49 HH22 ARG 5 2HH2 ARG 5 -6.591 6.855 -5.771
50 H VAL 6 HN VAL 6 -1.859 1.107 -1.634
51 HA VAL 6 HA VAL 6 -1.988 -0.779 -3.892
52 HB VAL 6 HB VAL 6 -2.378 -1.460 -0.962
53 HG11 VAL 6 1HG1 VAL 6 -2.226 -3.246 -3.390
54 HG12 VAL 6 2HG1 VAL 6 -3.678 -2.860 -2.471
55 HG13 VAL 6 3HG1 VAL 6 -2.385 -3.791 -1.719
56 HG21 VAL 6 1HG2 VAL 6 -0.033 -2.107 -2.738
57 HG22 VAL 6 2HG2 VAL 6 -0.278 -2.713 -1.100
58 HG23 VAL 6 3HG2 VAL 6 -0.031 -0.988 -1.376
59 H CYS 7 HN CYS 7 -4.013 -0.993 -4.680
60 HA CYS 7 HA CYS 7 -6.131 0.136 -3.023
61 HB2 CYS 7 2HB CYS 7 -5.989 0.004 -6.035
62 HB3 CYS 7 1HB CYS 7 -7.377 0.561 -5.097
63 H TYR 8 HN TYR 8 -7.320 -1.196 -2.125
64 HA TYR 8 HA TYR 8 -7.770 -3.839 -3.274
65 HB2 TYR 8 2HB TYR 8 -6.589 -3.860 -1.117
66 HB3 TYR 8 1HB TYR 8 -7.851 -2.841 -0.438
67 HD1 TYR 8 1HD TYR 8 -9.725 -3.795 0.595
68 HD2 TYR 8 2HD TYR 8 -7.242 -6.239 -1.837
69 HE1 TYR 8 1HE TYR 8 -10.929 -5.763 1.374
70 HE2 TYR 8 2HE TYR 8 -8.444 -8.237 -1.071
71 HH TYR 8 HH TYR 8 -9.818 -8.919 0.922
72 H ARG 9 HN ARG 9 -9.461 -3.395 -4.451
73 HA ARG 9 HA ARG 9 -11.609 -3.131 -5.080
74 HB2 ARG 9 2HB ARG 9 -12.135 -3.755 -2.178
75 HB3 ARG 9 1HB ARG 9 -13.342 -3.822 -3.460
76 HG2 ARG 9 2HG ARG 9 -12.091 -5.561 -4.586
77 HG3 ARG 9 1HG ARG 9 -10.826 -5.455 -3.363
78 HD2 ARG 9 2HD ARG 9 -12.452 -6.117 -1.661
79 HD3 ARG 9 1HD ARG 9 -13.678 -6.292 -2.921
80 HE ARG 9 HE ARG 9 -11.565 -7.785 -3.755
81 HH11 ARG 9 1HH1 ARG 9 -13.719 -7.804 -0.931
82 HH12 ARG 9 2HH1 ARG 9 -13.519 -9.478 -0.642
83 HH21 ARG 9 1HH2 ARG 9 -11.305 -10.083 -3.311
84 HH22 ARG 9 2HH2 ARG 9 -12.127 -10.771 -1.992
85 H GLY 10 HN GLY 10 -10.257 -0.756 -4.343
86 HA2 GLY 10 2HA GLY 10 -11.271 1.409 -4.718
87 HA3 GLY 10 1HA GLY 10 -12.589 0.910 -3.665
88 H ILE 11 HN ILE 11 -10.537 -0.337 -1.833
89 HA ILE 11 HA ILE 11 -10.045 2.086 -0.315
90 HB ILE 11 HB ILE 11 -9.449 -0.802 0.393
91 HG12 ILE 11 2HG1 ILE 11 -11.816 0.905 1.199
92 HG13 ILE 11 1HG1 ILE 11 -11.866 -0.421 0.045
93 HG21 ILE 11 1HG2 ILE 11 -8.114 0.800 1.667
94 HG22 ILE 11 2HG2 ILE 11 -9.306 0.020 2.704
95 HG23 ILE 11 3HG2 ILE 11 -9.580 1.666 2.136
96 HD11 ILE 11 1HD1 ILE 11 -12.717 -1.100 2.222
97 HD12 ILE 11 2HD1 ILE 11 -11.179 -0.652 2.962
98 HD13 ILE 11 3HD1 ILE 11 -11.245 -1.983 1.809
99 H CYS 12 HN CYS 12 -8.233 3.121 -0.893
100 HA CYS 12 HA CYS 12 -5.939 1.485 -1.635
101 HB2 CYS 12 2HB CYS 12 -6.275 4.455 -1.960
102 HB3 CYS 12 1HB CYS 12 -4.965 3.474 -2.568
103 H TYR 13 HN TYR 13 -4.506 1.172 -0.262
104 HA TYR 13 HA TYR 13 -4.206 3.083 1.904
105 HB2 TYR 13 2HB TYR 13 -3.444 1.110 3.310
106 HB3 TYR 13 1HB TYR 13 -5.158 1.196 2.948
107 HD1 TYR 13 1HD TYR 13 -2.007 -0.489 1.949
108 HD2 TYR 13 2HD TYR 13 -6.248 -0.622 1.939
109 HE1 TYR 13 1HE TYR 13 -1.926 -2.817 1.169
110 HE2 TYR 13 2HE TYR 13 -6.187 -2.932 1.151
111 HH TYR 13 HH TYR 13 -3.398 -4.808 1.231
112 H ARG 14 HN ARG 14 -2.102 3.214 2.795
113 HA ARG 14 HA ARG 14 -0.103 2.969 0.681
114 HB2 ARG 14 2HB ARG 14 -0.779 5.182 1.817
115 HB3 ARG 14 1HB ARG 14 0.062 4.568 3.223
116 HG2 ARG 14 2HG ARG 14 1.537 6.031 2.058
117 HG3 ARG 14 1HG ARG 14 2.122 4.382 1.831
118 HD2 ARG 14 2HD ARG 14 2.181 5.740 -0.246
119 HD3 ARG 14 1HD ARG 14 1.182 4.298 -0.397
120 HE ARG 14 HE ARG 14 -0.651 6.116 0.274
121 HH11 ARG 14 1HH1 ARG 14 1.935 6.408 -2.096
122 HH12 ARG 14 2HH1 ARG 14 1.075 7.431 -3.135
123 HH21 ARG 14 1HH2 ARG 14 -1.862 7.486 -1.131
124 HH22 ARG 14 2HH2 ARG 14 -1.169 8.062 -2.574
125 H ARG 15 HN ARG 15 1.329 1.370 0.973
126 HA ARG 15 HA ARG 15 1.917 0.561 3.722
127 HB2 ARG 15 2HB ARG 15 1.718 -1.149 1.247
128 HB3 ARG 15 1HB ARG 15 2.625 -1.667 2.654
129 HG2 ARG 15 2HG ARG 15 -0.303 -1.011 2.597
130 HG3 ARG 15 1HG ARG 15 0.391 -2.637 2.641
131 HD2 ARG 15 2HD ARG 15 0.581 -0.495 4.775
132 HD3 ARG 15 1HD ARG 15 -0.298 -2.014 4.868
133 HE ARG 15 HE ARG 15 2.091 -2.965 4.470
134 HH11 ARG 15 1HH1 ARG 15 1.196 -0.295 6.645
135 HH12 ARG 15 2HH1 ARG 15 2.509 -0.554 7.682
136 HH21 ARG 15 1HH2 ARG 15 3.911 -3.263 5.890
137 HH22 ARG 15 2HH2 ARG 15 4.124 -2.261 7.231
138 H CYS 16 HN CYS 16 4.095 -0.174 4.082
139 HA CYS 16 HA CYS 16 5.931 1.014 2.179
140 HB2 CYS 16 2HB CYS 16 5.993 1.366 5.177
141 HB3 CYS 16 1HB CYS 16 7.254 1.900 4.071
142 H ARG 17 HN ARG 17 7.728 -0.035 1.866
143 HA ARG 17 HA ARG 17 8.299 -2.400 3.474
144 HB2 ARG 17 2HB ARG 17 7.188 -3.054 1.375
145 HB3 ARG 17 1HB ARG 17 8.378 -2.144 0.458
146 HG2 ARG 17 2HG ARG 17 10.110 -3.661 1.214
147 HG3 ARG 17 1HG ARG 17 8.917 -4.553 2.168
148 HD2 ARG 17 2HD ARG 17 7.660 -5.036 0.132
149 HD3 ARG 17 1HD ARG 17 8.863 -4.176 -0.820
150 HE ARG 17 HE ARG 17 10.356 -5.951 0.441
151 HH11 ARG 17 1HH1 ARG 17 7.321 -6.346 -1.369
152 HH12 ARG 17 2HH1 ARG 17 7.678 -7.950 -1.832
153 HH21 ARG 17 1HH2 ARG 17 10.771 -8.168 -0.201
154 HH22 ARG 17 2HH2 ARG 17 9.622 -8.993 -1.150
155 H GLY 18 HN GLY 18 9.922 -1.444 4.536
156 HA2 GLY 18 2HA GLY 18 12.076 -0.698 4.847
157 HA3 GLY 18 1HA GLY 18 12.324 -0.802 3.101
Start of MODEL 10
1 H1 LYS 1 HN LYS 1 12.617 1.180 2.314
2 HA LYS 1 HA LYS 1 11.550 3.612 3.519
3 HB2 LYS 1 2HB LYS 1 13.488 3.246 1.228
4 HB3 LYS 1 1HB LYS 1 13.130 4.760 2.041
5 HG2 LYS 1 2HG LYS 1 14.020 3.832 4.112
6 HG3 LYS 1 1HG LYS 1 14.434 2.349 3.268
7 HD2 LYS 1 2HD LYS 1 15.905 3.580 1.752
8 HD3 LYS 1 1HD LYS 1 15.506 5.086 2.574
9 HE2 LYS 1 2HE LYS 1 16.855 2.704 3.843
10 HE3 LYS 1 1HE LYS 1 17.678 4.158 3.292
11 HZ1 LYS 1 1HZ LYS 1 16.330 5.428 4.917
12 HZ2 LYS 1 2HZ LYS 1 17.317 4.292 5.627
13 HZ3 LYS 1 3HZ LYS 1 15.680 3.971 5.486
14 H TRP 2 HN TRP 2 10.921 1.494 1.134
15 HA TRP 2 HA TRP 2 9.724 3.303 -0.789
16 HB2 TRP 2 2HB TRP 2 11.059 1.500 -1.658
17 HB3 TRP 2 1HB TRP 2 10.150 0.317 -0.737
18 HD1 TRP 2 1HD TRP 2 8.813 3.042 -3.173
19 HE1 TRP 2 1HE TRP 2 7.427 1.843 -4.985
20 HE3 TRP 2 3HE TRP 2 9.590 -1.796 -1.741
21 HZ2 TRP 2 2HZ TRP 2 6.770 -0.793 -5.725
22 HZ3 TRP 2 3HZ TRP 2 8.559 -3.603 -3.067
23 HH2 TRP 2 2HH TRP 2 7.177 -3.101 -5.016
24 H CYS 3 HN CYS 3 7.777 4.033 -0.303
25 HA CYS 3 HA CYS 3 5.819 2.173 0.837
26 HB2 CYS 3 2HB CYS 3 5.908 5.191 1.026
27 HB3 CYS 3 1HB CYS 3 4.635 4.165 1.675
28 H PHE 4 HN PHE 4 4.298 1.567 -0.460
29 HA PHE 4 HA PHE 4 3.750 3.190 -2.817
30 HB2 PHE 4 2HB PHE 4 3.251 0.966 -3.947
31 HB3 PHE 4 1HB PHE 4 4.940 1.319 -3.616
32 HD1 PHE 4 1HD PHE 4 6.151 0.086 -1.902
33 HD2 PHE 4 2HD PHE 4 2.101 -0.821 -2.800
34 HE1 PHE 4 1HE PHE 4 6.371 -2.034 -0.710
35 HE2 PHE 4 2HE PHE 4 2.319 -2.951 -1.603
36 HZ PHE 4 HZ PHE 4 4.457 -3.560 -0.551
37 H ARG 5 HN ARG 5 1.683 3.146 -3.627
38 HA ARG 5 HA ARG 5 -0.374 2.861 -1.607
39 HB2 ARG 5 2HB ARG 5 -0.328 4.923 -2.860
40 HB3 ARG 5 1HB ARG 5 -0.345 4.048 -4.381
41 HG2 ARG 5 2HG ARG 5 -2.594 3.264 -3.932
42 HG3 ARG 5 1HG ARG 5 -2.579 4.074 -2.365
43 HD2 ARG 5 2HD ARG 5 -2.429 6.225 -3.410
44 HD3 ARG 5 1HD ARG 5 -2.183 5.459 -4.986
45 HE ARG 5 HE ARG 5 -4.480 4.479 -4.524
46 HH11 ARG 5 1HH1 ARG 5 -3.524 7.773 -3.596
47 HH12 ARG 5 2HH1 ARG 5 -5.088 8.422 -3.748
48 HH21 ARG 5 1HH2 ARG 5 -6.665 5.391 -4.709
49 HH22 ARG 5 2HH2 ARG 5 -6.919 7.033 -4.389
50 H VAL 6 HN VAL 6 -1.608 1.186 -1.496
51 HA VAL 6 HA VAL 6 -1.789 -0.657 -3.791
52 HB VAL 6 HB VAL 6 -2.192 -1.277 -0.843
53 HG11 VAL 6 1HG1 VAL 6 -3.526 -2.709 -2.294
54 HG12 VAL 6 2HG1 VAL 6 -2.232 -3.624 -1.523
55 HG13 VAL 6 3HG1 VAL 6 -2.083 -3.141 -3.212
56 HG21 VAL 6 1HG2 VAL 6 -0.110 -2.545 -0.974
57 HG22 VAL 6 2HG2 VAL 6 0.149 -0.830 -1.309
58 HG23 VAL 6 3HG2 VAL 6 0.115 -1.995 -2.633
59 H CYS 7 HN CYS 7 -3.768 -0.752 -4.661
60 HA CYS 7 HA CYS 7 -5.976 0.224 -3.042
61 HB2 CYS 7 2HB CYS 7 -5.626 0.155 -6.045
62 HB3 CYS 7 1HB CYS 7 -7.101 0.655 -5.220
63 H TYR 8 HN TYR 8 -7.320 -1.180 -2.363
64 HA TYR 8 HA TYR 8 -7.675 -3.703 -3.785
65 HB2 TYR 8 2HB TYR 8 -6.040 -4.039 -1.946
66 HB3 TYR 8 1HB TYR 8 -7.191 -3.335 -0.827
67 HD1 TYR 8 1HD TYR 8 -8.936 -4.647 0.128
68 HD2 TYR 8 2HD TYR 8 -6.514 -6.320 -2.930
69 HE1 TYR 8 1HE TYR 8 -9.838 -6.831 0.641
70 HE2 TYR 8 2HE TYR 8 -7.425 -8.552 -2.421
71 HH TYR 8 HH TYR 8 -8.540 -9.755 -0.609
72 H ARG 9 HN ARG 9 -9.717 -3.678 -4.311
73 HA ARG 9 HA ARG 9 -11.925 -3.502 -4.321
74 HB2 ARG 9 2HB ARG 9 -11.615 -3.599 -1.316
75 HB3 ARG 9 1HB ARG 9 -13.158 -3.719 -2.154
76 HG2 ARG 9 2HG ARG 9 -12.357 -5.720 -3.315
77 HG3 ARG 9 1HG ARG 9 -10.836 -5.610 -2.431
78 HD2 ARG 9 2HD ARG 9 -12.029 -5.893 -0.339
79 HD3 ARG 9 1HD ARG 9 -13.565 -5.959 -1.211
80 HE ARG 9 HE ARG 9 -11.848 -7.878 -2.272
81 HH11 ARG 9 1HH1 ARG 9 -13.663 -7.285 0.668
82 HH12 ARG 9 2HH1 ARG 9 -13.850 -8.925 1.084
83 HH21 ARG 9 1HH2 ARG 9 -12.063 -10.125 -1.726
84 HH22 ARG 9 2HH2 ARG 9 -12.894 -10.588 -0.316
85 H GLY 10 HN GLY 10 -10.314 -1.142 -4.365
86 HA2 GLY 10 2HA GLY 10 -11.148 0.975 -4.975
87 HA3 GLY 10 1HA GLY 10 -12.493 0.736 -3.870
88 H ILE 11 HN ILE 11 -10.641 -0.192 -1.750
89 HA ILE 11 HA ILE 11 -10.005 2.438 -0.764
90 HB ILE 11 HB ILE 11 -9.827 -0.285 0.529
91 HG12 ILE 11 2HG1 ILE 11 -12.046 0.457 -0.087
92 HG13 ILE 11 1HG1 ILE 11 -11.866 0.274 1.664
93 HG21 ILE 11 1HG2 ILE 11 -9.600 0.912 2.669
94 HG22 ILE 11 2HG2 ILE 11 -9.541 2.444 1.795
95 HG23 ILE 11 3HG2 ILE 11 -8.253 1.261 1.582
96 HD11 ILE 11 1HD1 ILE 11 -11.613 2.742 1.783
97 HD12 ILE 11 2HD1 ILE 11 -13.181 2.239 1.140
98 HD13 ILE 11 3HD1 ILE 11 -11.922 2.823 0.046
99 H CYS 12 HN CYS 12 -8.112 3.191 -0.703
100 HA CYS 12 HA CYS 12 -5.878 1.453 -1.487
101 HB2 CYS 12 2HB CYS 12 -6.061 4.435 -1.850
102 HB3 CYS 12 1HB CYS 12 -4.784 3.378 -2.421
103 H TYR 13 HN TYR 13 -4.178 1.326 -0.262
104 HA TYR 13 HA TYR 13 -3.897 3.183 1.939
105 HB2 TYR 13 2HB TYR 13 -3.198 1.143 3.350
106 HB3 TYR 13 1HB TYR 13 -4.911 1.449 3.099
107 HD1 TYR 13 1HD TYR 13 -2.070 -0.651 1.942
108 HD2 TYR 13 2HD TYR 13 -6.287 -0.173 2.123
109 HE1 TYR 13 1HE TYR 13 -2.368 -2.949 1.137
110 HE2 TYR 13 2HE TYR 13 -6.596 -2.442 1.313
111 HH TYR 13 HH TYR 13 -5.395 -4.148 0.095
112 H ARG 14 HN ARG 14 -1.873 3.552 2.623
113 HA ARG 14 HA ARG 14 0.187 3.062 0.680
114 HB2 ARG 14 2HB ARG 14 -0.165 5.294 1.672
115 HB3 ARG 14 1HB ARG 14 0.213 4.643 3.257
116 HG2 ARG 14 2HG ARG 14 2.107 5.827 2.430
117 HG3 ARG 14 1HG ARG 14 2.489 4.104 2.439
118 HD2 ARG 14 2HD ARG 14 3.295 5.146 0.386
119 HD3 ARG 14 1HD ARG 14 2.007 4.003 0.022
120 HE ARG 14 HE ARG 14 0.839 6.480 0.352
121 HH11 ARG 14 1HH1 ARG 14 3.284 5.120 -1.878
122 HH12 ARG 14 2HH1 ARG 14 2.749 6.081 -3.185
123 HH21 ARG 14 1HH2 ARG 14 0.178 7.746 -1.479
124 HH22 ARG 14 2HH2 ARG 14 0.996 7.582 -2.972
125 H ARG 15 HN ARG 15 1.188 1.176 0.809
126 HA ARG 15 HA ARG 15 1.797 0.042 3.427
127 HB2 ARG 15 2HB ARG 15 1.726 -1.095 0.677
128 HB3 ARG 15 1HB ARG 15 2.527 -1.972 2.001
129 HG2 ARG 15 2HG ARG 15 -0.339 -1.158 1.708
130 HG3 ARG 15 1HG ARG 15 0.292 -2.793 1.548
131 HD2 ARG 15 2HD ARG 15 0.283 -1.131 4.081
132 HD3 ARG 15 1HD ARG 15 -0.755 -2.510 3.735
133 HE ARG 15 HE ARG 15 1.694 -3.542 3.424
134 HH11 ARG 15 1HH1 ARG 15 0.246 -1.713 6.109
135 HH12 ARG 15 2HH1 ARG 15 1.248 -2.456 7.281
136 HH21 ARG 15 1HH2 ARG 15 2.980 -4.566 5.066
137 HH22 ARG 15 2HH2 ARG 15 2.835 -4.072 6.681
138 H CYS 16 HN CYS 16 3.735 0.056 4.163
139 HA CYS 16 HA CYS 16 5.838 1.099 2.429
140 HB2 CYS 16 2HB CYS 16 5.533 1.160 5.406
141 HB3 CYS 16 1HB CYS 16 7.009 1.640 4.574
142 H ARG 17 HN ARG 17 7.415 -0.107 1.851
143 HA ARG 17 HA ARG 17 8.054 -2.467 3.442
144 HB2 ARG 17 2HB ARG 17 6.859 -3.078 1.343
145 HB3 ARG 17 1HB ARG 17 8.065 -2.185 0.433
146 HG2 ARG 17 2HG ARG 17 9.775 -3.756 1.123
147 HG3 ARG 17 1HG ARG 17 8.585 -4.645 2.078
148 HD2 ARG 17 2HD ARG 17 7.333 -5.199 0.113
149 HD3 ARG 17 1HD ARG 17 8.352 -4.164 -0.885
150 HE ARG 17 HE ARG 17 10.016 -5.980 0.318
151 HH11 ARG 17 1HH1 ARG 17 7.229 -6.186 -1.868
152 HH12 ARG 17 2HH1 ARG 17 7.833 -7.527 -2.725
153 HH21 ARG 17 1HH2 ARG 17 10.831 -7.857 -0.887
154 HH22 ARG 17 2HH2 ARG 17 9.902 -8.489 -2.151
155 H GLY 18 HN GLY 18 9.573 -1.190 4.488
156 HA2 GLY 18 2HA GLY 18 11.808 -0.666 4.764
157 HA3 GLY 18 1HA GLY 18 12.025 -0.738 3.012
Start of MODEL 11
1 H1 LYS 1 HN LYS 1 12.493 0.167 2.238
2 HA LYS 1 HA LYS 1 12.139 2.979 2.953
3 HB2 LYS 1 2HB LYS 1 13.859 3.435 1.261
4 HB3 LYS 1 1HB LYS 1 14.410 2.262 2.444
5 HG2 LYS 1 2HG LYS 1 13.943 0.451 0.823
6 HG3 LYS 1 1HG LYS 1 13.465 1.669 -0.360
7 HD2 LYS 1 2HD LYS 1 15.700 2.647 -0.273
8 HD3 LYS 1 1HD LYS 1 16.181 1.465 0.943
9 HE2 LYS 1 2HE LYS 1 17.011 0.766 -1.221
10 HE3 LYS 1 1HE LYS 1 15.754 -0.339 -0.691
11 HZ1 LYS 1 1HZ LYS 1 14.187 0.819 -2.167
12 HZ2 LYS 1 2HZ LYS 1 15.476 0.171 -2.981
13 HZ3 LYS 1 3HZ LYS 1 15.427 1.830 -2.712
14 H TRP 2 HN TRP 2 10.428 0.823 1.205
15 HA TRP 2 HA TRP 2 9.817 2.776 -0.885
16 HB2 TRP 2 2HB TRP 2 10.734 0.726 -1.789
17 HB3 TRP 2 1HB TRP 2 9.533 -0.224 -0.932
18 HD1 TRP 2 1HD TRP 2 9.152 2.821 -3.339
19 HE1 TRP 2 1HE TRP 2 7.435 2.167 -5.142
20 HE3 TRP 2 3HE TRP 2 8.202 -1.964 -1.854
21 HZ2 TRP 2 2HZ TRP 2 5.897 -0.091 -5.852
22 HZ3 TRP 2 3HZ TRP 2 6.607 -3.306 -3.154
23 HH2 TRP 2 2HH TRP 2 5.480 -2.385 -5.111
24 H CYS 3 HN CYS 3 8.060 3.862 -0.576
25 HA CYS 3 HA CYS 3 5.799 2.582 0.770
26 HB2 CYS 3 2HB CYS 3 6.465 5.522 0.444
27 HB3 CYS 3 1HB CYS 3 4.998 4.900 1.188
28 H PHE 4 HN PHE 4 4.031 2.268 -0.297
29 HA PHE 4 HA PHE 4 3.646 3.499 -2.893
30 HB2 PHE 4 2HB PHE 4 3.213 1.273 -3.923
31 HB3 PHE 4 1HB PHE 4 4.883 1.509 -3.441
32 HD1 PHE 4 1HD PHE 4 5.408 0.569 -0.956
33 HD2 PHE 4 2HD PHE 4 2.261 -0.762 -3.485
34 HE1 PHE 4 1HE PHE 4 5.354 -1.568 0.248
35 HE2 PHE 4 2HE PHE 4 2.204 -2.901 -2.274
36 HZ PHE 4 HZ PHE 4 3.744 -3.303 -0.411
37 H ARG 5 HN ARG 5 1.522 3.331 -3.674
38 HA ARG 5 HA ARG 5 -0.476 3.110 -1.562
39 HB2 ARG 5 2HB ARG 5 -0.603 5.151 -2.829
40 HB3 ARG 5 1HB ARG 5 -0.540 4.277 -4.349
41 HG2 ARG 5 2HG ARG 5 -2.739 3.382 -3.991
42 HG3 ARG 5 1HG ARG 5 -2.806 4.076 -2.376
43 HD2 ARG 5 2HD ARG 5 -2.845 6.296 -3.262
44 HD3 ARG 5 1HD ARG 5 -2.493 5.708 -4.887
45 HE ARG 5 HE ARG 5 -4.739 4.432 -4.382
46 HH11 ARG 5 1HH1 ARG 5 -4.009 7.842 -3.742
47 HH12 ARG 5 2HH1 ARG 5 -5.566 8.401 -4.103
48 HH21 ARG 5 1HH2 ARG 5 -6.930 5.207 -4.836
49 HH22 ARG 5 2HH2 ARG 5 -7.266 6.868 -4.726
50 H VAL 6 HN VAL 6 -1.827 1.460 -1.436
51 HA VAL 6 HA VAL 6 -1.857 -0.441 -3.677
52 HB VAL 6 HB VAL 6 -2.383 -1.109 -0.782
53 HG11 VAL 6 1HG1 VAL 6 -2.031 -3.424 -1.503
54 HG12 VAL 6 2HG1 VAL 6 -1.799 -2.861 -3.158
55 HG13 VAL 6 3HG1 VAL 6 -3.359 -2.647 -2.366
56 HG21 VAL 6 1HG2 VAL 6 -0.145 -2.110 -0.672
57 HG22 VAL 6 2HG2 VAL 6 -0.074 -0.367 -0.931
58 HG23 VAL 6 3HG2 VAL 6 0.210 -1.472 -2.275
59 H CYS 7 HN CYS 7 -3.792 -0.481 -4.587
60 HA CYS 7 HA CYS 7 -6.079 0.273 -2.955
61 HB2 CYS 7 2HB CYS 7 -5.684 0.340 -5.949
62 HB3 CYS 7 1HB CYS 7 -7.199 0.680 -5.112
63 H TYR 8 HN TYR 8 -7.233 -1.284 -2.290
64 HA TYR 8 HA TYR 8 -7.371 -3.718 -3.887
65 HB2 TYR 8 2HB TYR 8 -5.879 -3.955 -1.883
66 HB3 TYR 8 1HB TYR 8 -7.250 -3.537 -0.867
67 HD1 TYR 8 1HD TYR 8 -5.937 -6.083 -3.211
68 HD2 TYR 8 2HD TYR 8 -8.834 -5.184 -0.239
69 HE1 TYR 8 1HE TYR 8 -6.539 -8.454 -3.096
70 HE2 TYR 8 2HE TYR 8 -9.451 -7.545 -0.107
71 HH TYR 8 HH TYR 8 -7.596 -10.021 -1.426
72 H ARG 9 HN ARG 9 -9.279 -3.545 -4.685
73 HA ARG 9 HA ARG 9 -11.485 -3.574 -4.975
74 HB2 ARG 9 2HB ARG 9 -11.594 -4.033 -1.986
75 HB3 ARG 9 1HB ARG 9 -12.977 -4.188 -3.064
76 HG2 ARG 9 2HG ARG 9 -11.839 -5.979 -4.275
77 HG3 ARG 9 1HG ARG 9 -10.447 -5.816 -3.207
78 HD2 ARG 9 2HD ARG 9 -11.804 -7.678 -2.511
79 HD3 ARG 9 1HD ARG 9 -11.882 -6.405 -1.297
80 HE ARG 9 HE ARG 9 -14.026 -5.976 -2.945
81 HH11 ARG 9 1HH1 ARG 9 -12.919 -8.712 -0.997
82 HH12 ARG 9 2HH1 ARG 9 -14.478 -9.269 -0.629
83 HH21 ARG 9 1HH2 ARG 9 -16.197 -6.754 -2.442
84 HH22 ARG 9 2HH2 ARG 9 -16.360 -8.144 -1.463
85 H GLY 10 HN GLY 10 -10.075 -1.146 -4.485
86 HA2 GLY 10 2HA GLY 10 -11.014 1.019 -4.849
87 HA3 GLY 10 1HA GLY 10 -12.390 0.546 -3.862
88 H ILE 11 HN ILE 11 -10.516 -0.661 -1.890
89 HA ILE 11 HA ILE 11 -10.155 1.731 -0.317
90 HB ILE 11 HB ILE 11 -9.569 -1.178 0.350
91 HG12 ILE 11 2HG1 ILE 11 -11.923 0.573 1.103
92 HG13 ILE 11 1HG1 ILE 11 -11.958 -0.759 -0.042
93 HG21 ILE 11 1HG2 ILE 11 -8.221 0.349 1.712
94 HG22 ILE 11 2HG2 ILE 11 -9.453 -0.446 2.691
95 HG23 ILE 11 3HG2 ILE 11 -9.680 1.227 2.181
96 HD11 ILE 11 1HD1 ILE 11 -11.427 -0.961 2.910
97 HD12 ILE 11 2HD1 ILE 11 -11.458 -2.313 1.780
98 HD13 ILE 11 3HD1 ILE 11 -12.927 -1.385 2.088
99 H CYS 12 HN CYS 12 -8.378 2.871 -0.623
100 HA CYS 12 HA CYS 12 -5.952 1.460 -1.421
101 HB2 CYS 12 2HB CYS 12 -6.524 4.412 -1.610
102 HB3 CYS 12 1HB CYS 12 -5.147 3.553 -2.254
103 H TYR 13 HN TYR 13 -4.339 1.350 -0.138
104 HA TYR 13 HA TYR 13 -4.186 3.181 2.107
105 HB2 TYR 13 2HB TYR 13 -3.353 1.238 3.496
106 HB3 TYR 13 1HB TYR 13 -5.063 1.209 3.108
107 HD1 TYR 13 1HD TYR 13 -5.988 -0.572 1.745
108 HD2 TYR 13 2HD TYR 13 -1.806 -0.367 2.452
109 HE1 TYR 13 1HE TYR 13 -5.754 -2.877 0.948
110 HE2 TYR 13 2HE TYR 13 -1.556 -2.671 1.652
111 HH TYR 13 HH TYR 13 -3.894 -4.380 -0.020
112 H ARG 14 HN ARG 14 -2.095 3.641 2.795
113 HA ARG 14 HA ARG 14 -0.109 3.279 0.691
114 HB2 ARG 14 2HB ARG 14 -0.660 5.559 1.591
115 HB3 ARG 14 1HB ARG 14 -0.030 5.056 3.145
116 HG2 ARG 14 2HG ARG 14 1.713 6.250 2.193
117 HG3 ARG 14 1HG ARG 14 2.149 4.570 1.874
118 HD2 ARG 14 2HD ARG 14 2.522 5.847 -0.129
119 HD3 ARG 14 1HD ARG 14 1.128 4.801 -0.389
120 HE ARG 14 HE ARG 14 0.239 7.274 0.584
121 HH11 ARG 14 1HH1 ARG 14 1.743 6.061 -2.406
122 HH12 ARG 14 2HH1 ARG 14 0.927 7.191 -3.386
123 HH21 ARG 14 1HH2 ARG 14 -0.791 8.802 -0.787
124 HH22 ARG 14 2HH2 ARG 14 -0.537 8.759 -2.469
125 H ARG 15 HN ARG 15 1.267 1.634 0.963
126 HA ARG 15 HA ARG 15 1.942 0.780 3.691
127 HB2 ARG 15 2HB ARG 15 1.933 -0.652 1.070
128 HB3 ARG 15 1HB ARG 15 2.913 -1.263 2.414
129 HG2 ARG 15 2HG ARG 15 -0.048 -0.924 2.209
130 HG3 ARG 15 1HG ARG 15 0.849 -2.436 2.223
131 HD2 ARG 15 2HD ARG 15 1.631 -1.912 4.521
132 HD3 ARG 15 1HD ARG 15 0.605 -0.474 4.508
133 HE ARG 15 HE ARG 15 -0.449 -3.174 4.145
134 HH11 ARG 15 1HH1 ARG 15 -0.556 -0.030 5.837
135 HH12 ARG 15 2HH1 ARG 15 -2.004 -0.394 6.646
136 HH21 ARG 15 1HH2 ARG 15 -2.444 -3.620 5.308
137 HH22 ARG 15 2HH2 ARG 15 -3.098 -2.451 6.343
138 H CYS 16 HN CYS 16 4.128 0.242 4.113
139 HA CYS 16 HA CYS 16 6.063 1.367 2.270
140 HB2 CYS 16 2HB CYS 16 5.914 1.890 5.237
141 HB3 CYS 16 1HB CYS 16 7.313 2.264 4.237
142 H ARG 17 HN ARG 17 7.157 -0.267 1.684
143 HA ARG 17 HA ARG 17 7.741 -2.388 3.582
144 HB2 ARG 17 2HB ARG 17 6.721 -3.022 1.402
145 HB3 ARG 17 1HB ARG 17 8.093 -2.300 0.577
146 HG2 ARG 17 2HG ARG 17 9.575 -3.944 1.594
147 HG3 ARG 17 1HG ARG 17 8.199 -4.658 2.443
148 HD2 ARG 17 2HD ARG 17 7.140 -5.148 0.310
149 HD3 ARG 17 1HD ARG 17 8.519 -4.460 -0.545
150 HE ARG 17 HE ARG 17 9.309 -6.477 1.260
151 HH11 ARG 17 1HH1 ARG 17 7.806 -6.026 -1.893
152 HH12 ARG 17 2HH1 ARG 17 8.312 -7.518 -2.532
153 HH21 ARG 17 1HH2 ARG 17 10.016 -8.577 0.391
154 HH22 ARG 17 2HH2 ARG 17 9.612 -8.977 -1.213
155 H GLY 18 HN GLY 18 9.301 -1.351 4.722
156 HA2 GLY 18 2HA GLY 18 11.444 -0.791 5.231
157 HA3 GLY 18 1HA GLY 18 11.909 -1.316 3.615
Start of MODEL 12
1 H1 LYS 1 HN LYS 1 12.746 0.649 2.255
2 HA LYS 1 HA LYS 1 11.924 3.159 3.527
3 HB2 LYS 1 2HB LYS 1 13.797 4.222 2.272
4 HB3 LYS 1 1HB LYS 1 14.321 2.987 3.404
5 HG2 LYS 1 2HG LYS 1 14.532 1.406 1.516
6 HG3 LYS 1 1HG LYS 1 14.112 2.716 0.407
7 HD2 LYS 1 2HD LYS 1 16.064 3.976 1.145
8 HD3 LYS 1 1HD LYS 1 16.446 2.713 2.315
9 HE2 LYS 1 2HE LYS 1 16.741 1.117 0.464
10 HE3 LYS 1 1HE LYS 1 16.413 2.410 -0.684
11 HZ1 LYS 1 1HZ LYS 1 18.684 2.362 1.238
12 HZ2 LYS 1 2HZ LYS 1 18.404 3.562 0.090
13 HZ3 LYS 1 3HZ LYS 1 18.789 2.007 -0.398
14 H TRP 2 HN TRP 2 10.850 1.221 1.257
15 HA TRP 2 HA TRP 2 10.101 3.353 -0.600
16 HB2 TRP 2 2HB TRP 2 11.159 1.500 -1.720
17 HB3 TRP 2 1HB TRP 2 10.143 0.341 -0.880
18 HD1 TRP 2 1HD TRP 2 9.256 3.442 -3.066
19 HE1 TRP 2 1HE TRP 2 7.534 2.699 -4.813
20 HE3 TRP 2 3HE TRP 2 8.979 -1.505 -1.860
21 HZ2 TRP 2 2HZ TRP 2 6.220 0.308 -5.588
22 HZ3 TRP 2 3HZ TRP 2 7.466 -2.960 -3.154
23 HH2 TRP 2 2HH TRP 2 6.120 -2.062 -4.983
24 H CYS 3 HN CYS 3 8.009 4.007 -0.645
25 HA CYS 3 HA CYS 3 6.087 2.343 0.753
26 HB2 CYS 3 2HB CYS 3 6.317 5.352 0.799
27 HB3 CYS 3 1HB CYS 3 4.923 4.460 1.403
28 H PHE 4 HN PHE 4 4.092 2.139 -0.143
29 HA PHE 4 HA PHE 4 3.774 3.247 -2.804
30 HB2 PHE 4 2HB PHE 4 3.174 0.909 -3.603
31 HB3 PHE 4 1HB PHE 4 4.877 1.218 -3.299
32 HD1 PHE 4 1HD PHE 4 1.951 -0.679 -2.286
33 HD2 PHE 4 2HD PHE 4 5.984 0.235 -1.334
34 HE1 PHE 4 1HE PHE 4 2.033 -2.609 -0.760
35 HE2 PHE 4 2HE PHE 4 6.071 -1.683 0.190
36 HZ PHE 4 HZ PHE 4 4.089 -3.112 0.481
37 H ARG 5 HN ARG 5 1.699 2.945 -3.673
38 HA ARG 5 HA ARG 5 -0.453 3.140 -1.712
39 HB2 ARG 5 2HB ARG 5 -0.265 4.877 -3.427
40 HB3 ARG 5 1HB ARG 5 -0.310 3.657 -4.683
41 HG2 ARG 5 2HG ARG 5 -2.587 3.080 -4.105
42 HG3 ARG 5 1HG ARG 5 -2.556 4.224 -2.766
43 HD2 ARG 5 2HD ARG 5 -2.270 6.066 -4.300
44 HD3 ARG 5 1HD ARG 5 -2.174 4.953 -5.664
45 HE ARG 5 HE ARG 5 -4.474 4.274 -4.973
46 HH11 ARG 5 1HH1 ARG 5 -3.300 7.552 -4.318
47 HH12 ARG 5 2HH1 ARG 5 -4.799 8.310 -4.565
48 HH21 ARG 5 1HH2 ARG 5 -6.589 5.339 -5.275
49 HH22 ARG 5 2HH2 ARG 5 -6.716 7.014 -5.111
50 H VAL 6 HN VAL 6 -1.911 1.549 -1.463
51 HA VAL 6 HA VAL 6 -1.924 -0.592 -3.475
52 HB VAL 6 HB VAL 6 -2.554 -0.955 -0.547
53 HG11 VAL 6 1HG1 VAL 6 -3.575 -2.576 -2.030
54 HG12 VAL 6 2HG1 VAL 6 -2.330 -3.344 -1.045
55 HG13 VAL 6 3HG1 VAL 6 -2.002 -2.956 -2.735
56 HG21 VAL 6 1HG2 VAL 6 -0.384 -2.029 -0.264
57 HG22 VAL 6 2HG2 VAL 6 -0.195 -0.343 -0.749
58 HG23 VAL 6 3HG2 VAL 6 0.032 -1.635 -1.930
59 H CYS 7 HN CYS 7 -3.844 -0.704 -4.401
60 HA CYS 7 HA CYS 7 -6.143 0.251 -2.884
61 HB2 CYS 7 2HB CYS 7 -5.769 0.040 -5.880
62 HB3 CYS 7 1HB CYS 7 -7.238 0.578 -5.068
63 H TYR 8 HN TYR 8 -7.478 -1.224 -2.221
64 HA TYR 8 HA TYR 8 -7.499 -3.805 -3.582
65 HB2 TYR 8 2HB TYR 8 -6.053 -3.799 -1.501
66 HB3 TYR 8 1HB TYR 8 -7.495 -3.396 -0.586
67 HD1 TYR 8 1HD TYR 8 -8.865 -5.125 0.250
68 HD2 TYR 8 2HD TYR 8 -6.067 -5.992 -2.831
69 HE1 TYR 8 1HE TYR 8 -9.318 -7.519 0.518
70 HE2 TYR 8 2HE TYR 8 -6.512 -8.378 -2.581
71 HH TYR 8 HH TYR 8 -9.136 -9.596 -0.757
72 H ARG 9 HN ARG 9 -9.427 -3.878 -4.364
73 HA ARG 9 HA ARG 9 -11.654 -3.981 -4.600
74 HB2 ARG 9 2HB ARG 9 -11.692 -3.923 -1.581
75 HB3 ARG 9 1HB ARG 9 -13.086 -4.276 -2.587
76 HG2 ARG 9 2HG ARG 9 -11.934 -6.256 -3.468
77 HG3 ARG 9 1HG ARG 9 -10.550 -5.897 -2.435
78 HD2 ARG 9 2HD ARG 9 -13.354 -6.570 -1.535
79 HD3 ARG 9 1HD ARG 9 -11.934 -7.603 -1.415
80 HE ARG 9 HE ARG 9 -11.912 -5.018 -0.052
81 HH11 ARG 9 1HH1 ARG 9 -11.894 -8.553 0.232
82 HH12 ARG 9 2HH1 ARG 9 -11.643 -8.530 1.911
83 HH21 ARG 9 1HH2 ARG 9 -11.557 -5.020 2.222
84 HH22 ARG 9 2HH2 ARG 9 -11.454 -6.487 3.075
85 H GLY 10 HN GLY 10 -10.257 -1.376 -4.385
86 HA2 GLY 10 2HA GLY 10 -11.393 0.603 -5.161
87 HA3 GLY 10 1HA GLY 10 -12.683 0.244 -4.026
88 H ILE 11 HN ILE 11 -10.640 -0.429 -1.928
89 HA ILE 11 HA ILE 11 -10.342 2.326 -1.046
90 HB ILE 11 HB ILE 11 -9.981 -0.277 0.483
91 HG12 ILE 11 2HG1 ILE 11 -12.235 1.743 0.486
92 HG13 ILE 11 1HG1 ILE 11 -12.292 0.131 -0.205
93 HG21 ILE 11 1HG2 ILE 11 -8.609 1.514 1.434
94 HG22 ILE 11 2HG2 ILE 11 -9.958 1.132 2.505
95 HG23 ILE 11 3HG2 ILE 11 -10.016 2.577 1.495
96 HD11 ILE 11 1HD1 ILE 11 -12.025 -0.829 2.027
97 HD12 ILE 11 2HD1 ILE 11 -13.443 0.216 1.918
98 HD13 ILE 11 3HD1 ILE 11 -11.977 0.796 2.712
99 H CYS 12 HN CYS 12 -8.420 3.318 -0.925
100 HA CYS 12 HA CYS 12 -6.072 1.695 -1.542
101 HB2 CYS 12 2HB CYS 12 -6.456 4.648 -2.051
102 HB3 CYS 12 1HB CYS 12 -5.085 3.664 -2.523
103 H TYR 13 HN TYR 13 -4.401 1.772 -0.268
104 HA TYR 13 HA TYR 13 -4.304 3.687 1.913
105 HB2 TYR 13 2HB TYR 13 -3.655 1.716 3.427
106 HB3 TYR 13 1HB TYR 13 -5.357 1.905 3.040
107 HD1 TYR 13 1HD TYR 13 -6.515 0.276 1.690
108 HD2 TYR 13 2HD TYR 13 -2.350 -0.160 2.454
109 HE1 TYR 13 1HE TYR 13 -6.616 -2.023 0.887
110 HE2 TYR 13 2HE TYR 13 -2.447 -2.457 1.665
111 HH TYR 13 HH TYR 13 -4.094 -4.285 1.354
112 H ARG 14 HN ARG 14 -2.179 3.676 2.959
113 HA ARG 14 HA ARG 14 -0.111 3.305 0.932
114 HB2 ARG 14 2HB ARG 14 -0.595 5.492 2.161
115 HB3 ARG 14 1HB ARG 14 0.115 4.729 3.575
116 HG2 ARG 14 2HG ARG 14 1.766 6.101 2.534
117 HG3 ARG 14 1HG ARG 14 2.203 4.412 2.241
118 HD2 ARG 14 2HD ARG 14 1.311 4.512 0.006
119 HD3 ARG 14 1HD ARG 14 0.673 6.129 0.291
120 HE ARG 14 HE ARG 14 3.378 6.205 0.762
121 HH11 ARG 14 1HH1 ARG 14 1.160 5.804 -1.945
122 HH12 ARG 14 2HH1 ARG 14 2.250 6.307 -3.156
123 HH21 ARG 14 1HH2 ARG 14 4.935 6.953 -0.885
124 HH22 ARG 14 2HH2 ARG 14 4.498 6.927 -2.523
125 H ARG 15 HN ARG 15 1.353 1.733 1.172
126 HA ARG 15 HA ARG 15 1.874 0.651 3.834
127 HB2 ARG 15 2HB ARG 15 1.418 -0.912 1.289
128 HB3 ARG 15 1HB ARG 15 2.235 -1.628 2.694
129 HG2 ARG 15 2HG ARG 15 -0.559 -0.656 2.385
130 HG3 ARG 15 1HG ARG 15 -0.025 -2.324 2.578
131 HD2 ARG 15 2HD ARG 15 0.822 -1.736 4.845
132 HD3 ARG 15 1HD ARG 15 0.147 -0.119 4.629
133 HE ARG 15 HE ARG 15 -1.358 -2.606 4.760
134 HH11 ARG 15 1HH1 ARG 15 -1.260 0.943 5.097
135 HH12 ARG 15 2HH1 ARG 15 -2.803 1.069 5.783
136 HH21 ARG 15 1HH2 ARG 15 -3.532 -2.408 5.723
137 HH22 ARG 15 2HH2 ARG 15 -4.101 -0.872 6.160
138 H CYS 16 HN CYS 16 4.042 -0.398 3.904
139 HA CYS 16 HA CYS 16 5.786 0.831 1.930
140 HB2 CYS 16 2HB CYS 16 6.190 0.995 4.918
141 HB3 CYS 16 1HB CYS 16 7.349 1.524 3.709
142 H ARG 17 HN ARG 17 7.823 -0.058 1.775
143 HA ARG 17 HA ARG 17 8.307 -2.625 3.039
144 HB2 ARG 17 2HB ARG 17 7.455 -3.132 0.792
145 HB3 ARG 17 1HB ARG 17 8.575 -1.975 0.090
146 HG2 ARG 17 2HG ARG 17 10.451 -3.369 0.788
147 HG3 ARG 17 1HG ARG 17 9.327 -4.523 1.506
148 HD2 ARG 17 2HD ARG 17 8.347 -4.960 -0.674
149 HD3 ARG 17 1HD ARG 17 9.383 -3.739 -1.399
150 HE ARG 17 HE ARG 17 11.276 -5.108 -0.790
151 HH11 ARG 17 1HH1 ARG 17 8.142 -6.722 -0.932
152 HH12 ARG 17 2HH1 ARG 17 8.760 -8.252 -1.324
153 HH21 ARG 17 1HH2 ARG 17 12.152 -7.187 -1.363
154 HH22 ARG 17 2HH2 ARG 17 11.126 -8.529 -1.599
155 H GLY 18 HN GLY 18 9.729 -1.648 4.361
156 HA2 GLY 18 2HA GLY 18 11.840 -1.030 4.997
157 HA3 GLY 18 1HA GLY 18 12.337 -1.163 3.310
Start of MODEL 13
1 H1 LYS 1 HN LYS 1 12.637 0.854 2.166
2 HA LYS 1 HA LYS 1 11.440 3.123 3.578
3 HB2 LYS 1 2HB LYS 1 13.218 4.497 2.495
4 HB3 LYS 1 1HB LYS 1 13.836 3.246 3.560
5 HG2 LYS 1 2HG LYS 1 14.364 1.853 1.625
6 HG3 LYS 1 1HG LYS 1 13.731 3.102 0.552
7 HD2 LYS 1 2HD LYS 1 16.162 3.239 0.641
8 HD3 LYS 1 1HD LYS 1 15.449 4.661 1.405
9 HE2 LYS 1 2HE LYS 1 15.827 3.659 3.616
10 HE3 LYS 1 1HE LYS 1 16.533 2.237 2.848
11 HZ1 LYS 1 1HZ LYS 1 18.291 3.655 1.968
12 HZ2 LYS 1 2HZ LYS 1 18.225 3.769 3.636
13 HZ3 LYS 1 3HZ LYS 1 17.605 5.004 2.697
14 H TRP 2 HN TRP 2 10.668 1.241 1.195
15 HA TRP 2 HA TRP 2 9.858 3.338 -0.666
16 HB2 TRP 2 2HB TRP 2 11.078 1.487 -1.697
17 HB3 TRP 2 1HB TRP 2 9.961 0.329 -0.993
18 HD1 TRP 2 1HD TRP 2 9.486 3.452 -3.260
19 HE1 TRP 2 1HE TRP 2 7.891 2.809 -5.167
20 HE3 TRP 2 3HE TRP 2 8.686 -1.409 -1.988
21 HZ2 TRP 2 2HZ TRP 2 6.475 0.500 -6.026
22 HZ3 TRP 2 3HZ TRP 2 7.204 -2.778 -3.403
23 HH2 TRP 2 2HH TRP 2 6.129 -1.840 -5.374
24 H CYS 3 HN CYS 3 7.900 4.101 -0.390
25 HA CYS 3 HA CYS 3 5.905 2.364 0.840
26 HB2 CYS 3 2HB CYS 3 6.147 5.365 0.892
27 HB3 CYS 3 1HB CYS 3 4.783 4.461 1.559
28 H PHE 4 HN PHE 4 4.237 1.811 -0.275
29 HA PHE 4 HA PHE 4 3.778 3.175 -2.806
30 HB2 PHE 4 2HB PHE 4 3.228 0.880 -3.734
31 HB3 PHE 4 1HB PHE 4 4.925 1.192 -3.396
32 HD1 PHE 4 1HD PHE 4 5.961 0.197 -1.351
33 HD2 PHE 4 2HD PHE 4 2.077 -0.887 -2.675
34 HE1 PHE 4 1HE PHE 4 6.068 -1.827 0.025
35 HE2 PHE 4 2HE PHE 4 2.176 -2.919 -1.300
36 HZ PHE 4 HZ PHE 4 4.170 -3.397 0.056
37 H ARG 5 HN ARG 5 1.718 3.146 -3.593
38 HA ARG 5 HA ARG 5 -0.353 3.099 -1.567
39 HB2 ARG 5 2HB ARG 5 -0.067 5.032 -3.065
40 HB3 ARG 5 1HB ARG 5 -0.338 3.990 -4.450
41 HG2 ARG 5 2HG ARG 5 -2.623 3.567 -3.645
42 HG3 ARG 5 1HG ARG 5 -2.330 4.687 -2.308
43 HD2 ARG 5 2HD ARG 5 -1.865 6.471 -3.883
44 HD3 ARG 5 1HD ARG 5 -2.108 5.359 -5.229
45 HE ARG 5 HE ARG 5 -4.221 6.058 -3.324
46 HH11 ARG 5 1HH1 ARG 5 -3.086 5.628 -6.674
47 HH12 ARG 5 2HH1 ARG 5 -4.585 5.983 -7.375
48 HH21 ARG 5 1HH2 ARG 5 -6.309 6.568 -4.338
49 HH22 ARG 5 2HH2 ARG 5 -6.466 6.529 -6.028
50 H VAL 6 HN VAL 6 -1.816 1.515 -1.477
51 HA VAL 6 HA VAL 6 -1.763 -0.512 -3.603
52 HB VAL 6 HB VAL 6 -2.476 -0.930 -0.697
53 HG11 VAL 6 1HG1 VAL 6 -2.292 -3.309 -1.209
54 HG12 VAL 6 2HG1 VAL 6 -1.964 -2.919 -2.898
55 HG13 VAL 6 3HG1 VAL 6 -3.528 -2.515 -2.186
56 HG21 VAL 6 1HG2 VAL 6 -0.117 -0.373 -0.844
57 HG22 VAL 6 2HG2 VAL 6 0.111 -1.603 -2.087
58 HG23 VAL 6 3HG2 VAL 6 -0.324 -2.078 -0.445
59 H CYS 7 HN CYS 7 -3.681 -0.753 -4.578
60 HA CYS 7 HA CYS 7 -6.028 0.247 -3.157
61 HB2 CYS 7 2HB CYS 7 -5.564 -0.000 -6.134
62 HB3 CYS 7 1HB CYS 7 -7.113 0.422 -5.404
63 H TYR 8 HN TYR 8 -7.273 -1.173 -2.363
64 HA TYR 8 HA TYR 8 -7.456 -3.838 -3.552
65 HB2 TYR 8 2HB TYR 8 -5.981 -3.879 -1.581
66 HB3 TYR 8 1HB TYR 8 -7.219 -3.051 -0.659
67 HD1 TYR 8 1HD TYR 8 -6.725 -6.236 -2.564
68 HD2 TYR 8 2HD TYR 8 -8.650 -4.279 0.688
69 HE1 TYR 8 1HE TYR 8 -7.610 -8.385 -1.801
70 HE2 TYR 8 2HE TYR 8 -9.542 -6.417 1.463
71 HH TYR 8 HH TYR 8 -8.401 -9.380 0.344
72 H ARG 9 HN ARG 9 -9.434 -3.820 -4.315
73 HA ARG 9 HA ARG 9 -11.674 -3.774 -4.498
74 HB2 ARG 9 2HB ARG 9 -11.477 -4.024 -1.501
75 HB3 ARG 9 1HB ARG 9 -12.989 -4.174 -2.391
76 HG2 ARG 9 2HG ARG 9 -12.167 -6.078 -3.590
77 HG3 ARG 9 1HG ARG 9 -10.564 -5.878 -2.880
78 HD2 ARG 9 2HD ARG 9 -11.850 -7.670 -1.847
79 HD3 ARG 9 1HD ARG 9 -11.442 -6.402 -0.694
80 HE ARG 9 HE ARG 9 -13.872 -5.675 -1.498
81 HH11 ARG 9 1HH1 ARG 9 -12.701 -8.886 -0.543
82 HH12 ARG 9 2HH1 ARG 9 -14.136 -9.301 0.275
83 HH21 ARG 9 1HH2 ARG 9 -15.829 -6.274 -0.397
84 HH22 ARG 9 2HH2 ARG 9 -15.938 -7.796 0.368
85 H GLY 10 HN GLY 10 -10.285 -1.304 -4.328
86 HA2 GLY 10 2HA GLY 10 -11.273 0.798 -4.853
87 HA3 GLY 10 1HA GLY 10 -12.593 0.411 -3.753
88 H ILE 11 HN ILE 11 -10.381 -0.554 -1.844
89 HA ILE 11 HA ILE 11 -10.105 2.037 -0.563
90 HB ILE 11 HB ILE 11 -9.280 -0.710 0.441
91 HG12 ILE 11 2HG1 ILE 11 -11.810 0.844 1.063
92 HG13 ILE 11 1HG1 ILE 11 -11.723 -0.555 0.001
93 HG21 ILE 11 1HG2 ILE 11 -9.711 1.891 1.928
94 HG22 ILE 11 2HG2 ILE 11 -8.149 1.188 1.534
95 HG23 ILE 11 3HG2 ILE 11 -9.234 0.353 2.650
96 HD11 ILE 11 1HD1 ILE 11 -11.083 -0.538 2.941
97 HD12 ILE 11 2HD1 ILE 11 -11.031 -1.942 1.877
98 HD13 ILE 11 3HD1 ILE 11 -12.567 -1.144 2.211
99 H CYS 12 HN CYS 12 -8.313 3.179 -1.062
100 HA CYS 12 HA CYS 12 -5.920 1.638 -1.684
101 HB2 CYS 12 2HB CYS 12 -6.393 4.565 -2.267
102 HB3 CYS 12 1HB CYS 12 -5.048 3.590 -2.791
103 H TYR 13 HN TYR 13 -4.409 1.591 -0.294
104 HA TYR 13 HA TYR 13 -4.258 3.641 1.772
105 HB2 TYR 13 2HB TYR 13 -3.609 1.739 3.362
106 HB3 TYR 13 1HB TYR 13 -5.306 1.883 2.939
107 HD1 TYR 13 1HD TYR 13 -6.454 0.066 1.976
108 HD2 TYR 13 2HD TYR 13 -2.211 -0.049 2.177
109 HE1 TYR 13 1HE TYR 13 -6.490 -2.291 1.289
110 HE2 TYR 13 2HE TYR 13 -2.241 -2.401 1.496
111 HH TYR 13 HH TYR 13 -3.709 -4.271 1.477
112 H ARG 14 HN ARG 14 -2.116 3.648 2.860
113 HA ARG 14 HA ARG 14 -0.052 3.233 0.827
114 HB2 ARG 14 2HB ARG 14 -0.337 5.518 1.744
115 HB3 ARG 14 1HB ARG 14 -0.019 4.899 3.352
116 HG2 ARG 14 2HG ARG 14 1.943 6.013 2.522
117 HG3 ARG 14 1HG ARG 14 2.262 4.290 2.650
118 HD2 ARG 14 2HD ARG 14 3.174 5.264 0.572
119 HD3 ARG 14 1HD ARG 14 1.975 4.018 0.254
120 HE ARG 14 HE ARG 14 0.576 6.355 0.234
121 HH11 ARG 14 1HH1 ARG 14 3.497 5.344 -1.561
122 HH12 ARG 14 2HH1 ARG 14 3.013 6.139 -2.980
123 HH21 ARG 14 1HH2 ARG 14 0.014 7.447 -1.690
124 HH22 ARG 14 2HH2 ARG 14 1.019 7.358 -3.065
125 H ARG 15 HN ARG 15 1.323 1.608 1.059
126 HA ARG 15 HA ARG 15 1.798 0.540 3.745
127 HB2 ARG 15 2HB ARG 15 1.530 -0.853 1.097
128 HB3 ARG 15 1HB ARG 15 2.349 -1.635 2.454
129 HG2 ARG 15 2HG ARG 15 -0.471 -0.644 2.381
130 HG3 ARG 15 1HG ARG 15 0.012 -2.326 2.140
131 HD2 ARG 15 2HD ARG 15 0.425 -0.689 4.659
132 HD3 ARG 15 1HD ARG 15 -0.792 -1.937 4.424
133 HE ARG 15 HE ARG 15 1.822 -2.917 3.912
134 HH11 ARG 15 1HH1 ARG 15 -0.356 -2.131 6.613
135 HH12 ARG 15 2HH1 ARG 15 0.333 -3.271 7.653
136 HH21 ARG 15 1HH2 ARG 15 2.720 -4.477 5.335
137 HH22 ARG 15 2HH2 ARG 15 2.118 -4.660 6.919
138 H CYS 16 HN CYS 16 3.958 -0.166 4.133
139 HA CYS 16 HA CYS 16 5.873 0.957 2.230
140 HB2 CYS 16 2HB CYS 16 5.990 1.216 5.236
141 HB3 CYS 16 1HB CYS 16 7.264 1.702 4.128
142 H ARG 17 HN ARG 17 7.467 -0.256 1.695
143 HA ARG 17 HA ARG 17 8.118 -2.598 3.324
144 HB2 ARG 17 2HB ARG 17 7.026 -3.235 1.192
145 HB3 ARG 17 1HB ARG 17 8.243 -2.317 0.309
146 HG2 ARG 17 2HG ARG 17 9.966 -3.823 1.201
147 HG3 ARG 17 1HG ARG 17 8.697 -4.753 2.003
148 HD2 ARG 17 2HD ARG 17 7.653 -5.142 -0.191
149 HD3 ARG 17 1HD ARG 17 9.007 -4.312 -0.953
150 HE ARG 17 HE ARG 17 10.122 -6.234 0.623
151 HH11 ARG 17 1HH1 ARG 17 7.953 -6.182 -2.159
152 HH12 ARG 17 2HH1 ARG 17 8.361 -7.742 -2.692
153 HH21 ARG 17 1HH2 ARG 17 10.674 -8.386 -0.093
154 HH22 ARG 17 2HH2 ARG 17 9.910 -9.042 -1.460
155 H GLY 18 HN GLY 18 9.843 -1.821 4.342
156 HA2 GLY 18 2HA GLY 18 12.006 -1.123 4.631
157 HA3 GLY 18 1HA GLY 18 12.197 -1.098 2.875
Start of MODEL 14
1 H1 LYS 1 HN LYS 1 12.579 0.676 2.269
2 HA LYS 1 HA LYS 1 11.578 3.251 3.249
3 HB2 LYS 1 2HB LYS 1 13.536 4.238 2.129
4 HB3 LYS 1 1HB LYS 1 14.000 3.055 3.338
5 HG2 LYS 1 2HG LYS 1 14.448 1.423 1.607
6 HG3 LYS 1 1HG LYS 1 13.902 2.560 0.371
7 HD2 LYS 1 2HD LYS 1 15.681 4.115 1.071
8 HD3 LYS 1 1HD LYS 1 16.240 2.914 2.229
9 HE2 LYS 1 2HE LYS 1 16.767 1.375 0.475
10 HE3 LYS 1 1HE LYS 1 16.060 2.438 -0.738
11 HZ1 LYS 1 1HZ LYS 1 17.764 4.072 -0.217
12 HZ2 LYS 1 2HZ LYS 1 18.464 2.611 -0.684
13 HZ3 LYS 1 3HZ LYS 1 18.416 3.041 0.943
14 H TRP 2 HN TRP 2 10.485 1.166 1.339
15 HA TRP 2 HA TRP 2 10.002 2.970 -0.899
16 HB2 TRP 2 2HB TRP 2 11.146 0.888 -1.556
17 HB3 TRP 2 1HB TRP 2 9.865 -0.052 -0.807
18 HD1 TRP 2 1HD TRP 2 9.760 2.836 -3.417
19 HE1 TRP 2 1HE TRP 2 8.309 2.048 -5.411
20 HE3 TRP 2 3HE TRP 2 8.687 -1.901 -1.822
21 HZ2 TRP 2 2HZ TRP 2 6.917 -0.281 -6.195
22 HZ3 TRP 2 3HZ TRP 2 7.311 -3.343 -3.255
23 HH2 TRP 2 2HH TRP 2 6.446 -2.545 -5.396
24 H CYS 3 HN CYS 3 8.176 3.901 -0.668
25 HA CYS 3 HA CYS 3 5.952 2.503 0.616
26 HB2 CYS 3 2HB CYS 3 6.510 5.447 0.296
27 HB3 CYS 3 1HB CYS 3 4.985 4.804 0.879
28 H PHE 4 HN PHE 4 4.148 2.212 -0.424
29 HA PHE 4 HA PHE 4 3.793 3.354 -3.051
30 HB2 PHE 4 2HB PHE 4 3.245 1.020 -3.917
31 HB3 PHE 4 1HB PHE 4 4.944 1.365 -3.639
32 HD1 PHE 4 1HD PHE 4 6.079 0.397 -1.621
33 HD2 PHE 4 2HD PHE 4 2.143 -0.721 -2.753
34 HE1 PHE 4 1HE PHE 4 6.258 -1.605 -0.216
35 HE2 PHE 4 2HE PHE 4 2.311 -2.718 -1.345
36 HZ PHE 4 HZ PHE 4 4.370 -3.171 -0.071
37 H ARG 5 HN ARG 5 1.623 2.951 -3.881
38 HA ARG 5 HA ARG 5 -0.311 2.901 -1.674
39 HB2 ARG 5 2HB ARG 5 -0.122 5.007 -2.978
40 HB3 ARG 5 1HB ARG 5 -0.528 4.111 -4.432
41 HG2 ARG 5 2HG ARG 5 -2.730 3.587 -3.461
42 HG3 ARG 5 1HG ARG 5 -2.311 4.564 -2.049
43 HD2 ARG 5 2HD ARG 5 -1.982 6.503 -3.512
44 HD3 ARG 5 1HD ARG 5 -2.466 5.543 -4.903
45 HE ARG 5 HE ARG 5 -4.206 6.180 -2.621
46 HH11 ARG 5 1HH1 ARG 5 -3.822 5.543 -6.104
47 HH12 ARG 5 2HH1 ARG 5 -5.391 6.051 -6.497
48 HH21 ARG 5 1HH2 ARG 5 -6.397 6.830 -3.198
49 HH22 ARG 5 2HH2 ARG 5 -6.886 6.799 -4.817
50 H VAL 6 HN VAL 6 -1.822 1.321 -1.687
51 HA VAL 6 HA VAL 6 -2.088 -0.304 -4.116
52 HB VAL 6 HB VAL 6 -2.158 -1.333 -1.258
53 HG11 VAL 6 1HG1 VAL 6 -2.225 -3.573 -2.277
54 HG12 VAL 6 2HG1 VAL 6 -2.289 -2.833 -3.878
55 HG13 VAL 6 3HG1 VAL 6 -3.617 -2.595 -2.747
56 HG21 VAL 6 1HG2 VAL 6 -0.086 -2.532 -1.786
57 HG22 VAL 6 2HG2 VAL 6 0.119 -0.783 -1.869
58 HG23 VAL 6 3HG2 VAL 6 -0.027 -1.725 -3.354
59 H CYS 7 HN CYS 7 -4.169 -0.548 -4.724
60 HA CYS 7 HA CYS 7 -6.182 0.257 -2.784
61 HB2 CYS 7 2HB CYS 7 -6.305 0.361 -5.807
62 HB3 CYS 7 1HB CYS 7 -7.593 0.824 -4.699
63 H TYR 8 HN TYR 8 -7.292 -1.312 -2.019
64 HA TYR 8 HA TYR 8 -7.456 -3.764 -3.553
65 HB2 TYR 8 2HB TYR 8 -6.158 -3.959 -1.449
66 HB3 TYR 8 1HB TYR 8 -7.563 -3.378 -0.567
67 HD1 TYR 8 1HD TYR 8 -8.802 -4.972 0.517
68 HD2 TYR 8 2HD TYR 8 -6.796 -6.067 -3.064
69 HE1 TYR 8 1HE TYR 8 -9.641 -7.256 0.750
70 HE2 TYR 8 2HE TYR 8 -7.628 -8.356 -2.845
71 HH TYR 8 HH TYR 8 -8.432 -9.847 -0.999
72 H ARG 9 HN ARG 9 -9.264 -3.598 -4.539
73 HA ARG 9 HA ARG 9 -11.422 -3.613 -5.005
74 HB2 ARG 9 2HB ARG 9 -11.894 -3.717 -2.023
75 HB3 ARG 9 1HB ARG 9 -13.112 -3.979 -3.260
76 HG2 ARG 9 2HG ARG 9 -11.946 -5.960 -4.020
77 HG3 ARG 9 1HG ARG 9 -10.686 -5.692 -2.806
78 HD2 ARG 9 2HD ARG 9 -12.373 -5.839 -1.044
79 HD3 ARG 9 1HD ARG 9 -13.606 -6.144 -2.264
80 HE ARG 9 HE ARG 9 -11.487 -7.993 -2.460
81 HH11 ARG 9 1HH1 ARG 9 -14.359 -7.219 -0.558
82 HH12 ARG 9 2HH1 ARG 9 -14.606 -8.817 -0.018
83 HH21 ARG 9 1HH2 ARG 9 -11.822 -10.186 -1.728
84 HH22 ARG 9 2HH2 ARG 9 -13.141 -10.544 -0.723
85 H GLY 10 HN GLY 10 -9.924 -1.152 -4.311
86 HA2 GLY 10 2HA GLY 10 -10.766 1.021 -4.966
87 HA3 GLY 10 1HA GLY 10 -12.248 0.654 -4.096
88 H ILE 11 HN ILE 11 -10.470 -0.535 -1.928
89 HA ILE 11 HA ILE 11 -10.194 1.912 -0.408
90 HB ILE 11 HB ILE 11 -9.640 -0.980 0.348
91 HG12 ILE 11 2HG1 ILE 11 -12.006 0.784 1.029
92 HG13 ILE 11 1HG1 ILE 11 -12.013 -0.500 -0.174
93 HG21 ILE 11 1HG2 ILE 11 -9.642 -0.182 2.682
94 HG22 ILE 11 2HG2 ILE 11 -9.791 1.478 2.106
95 HG23 ILE 11 3HG2 ILE 11 -8.341 0.546 1.735
96 HD11 ILE 11 1HD1 ILE 11 -11.543 -0.860 2.777
97 HD12 ILE 11 2HD1 ILE 11 -11.597 -2.140 1.567
98 HD13 ILE 11 3HD1 ILE 11 -13.048 -1.197 1.918
99 H CYS 12 HN CYS 12 -8.340 3.019 -0.476
100 HA CYS 12 HA CYS 12 -5.952 1.548 -1.340
101 HB2 CYS 12 2HB CYS 12 -6.348 4.526 -1.483
102 HB3 CYS 12 1HB CYS 12 -5.082 3.572 -2.219
103 H TYR 13 HN TYR 13 -4.438 1.240 -0.012
104 HA TYR 13 HA TYR 13 -4.234 2.980 2.309
105 HB2 TYR 13 2HB TYR 13 -3.240 0.860 3.439
106 HB3 TYR 13 1HB TYR 13 -4.986 1.015 3.290
107 HD1 TYR 13 1HD TYR 13 -6.231 -0.656 2.238
108 HD2 TYR 13 2HD TYR 13 -2.022 -0.565 1.681
109 HE1 TYR 13 1HE TYR 13 -6.338 -2.834 1.126
110 HE2 TYR 13 2HE TYR 13 -2.119 -2.746 0.566
111 HH TYR 13 HH TYR 13 -3.631 -4.712 0.554
112 H ARG 14 HN ARG 14 -2.158 3.201 3.218
113 HA ARG 14 HA ARG 14 -0.144 3.425 1.127
114 HB2 ARG 14 2HB ARG 14 -0.796 5.387 2.517
115 HB3 ARG 14 1HB ARG 14 -0.195 4.542 3.930
116 HG2 ARG 14 2HG ARG 14 1.419 6.164 3.155
117 HG3 ARG 14 1HG ARG 14 2.051 4.528 2.963
118 HD2 ARG 14 2HD ARG 14 1.537 4.561 0.601
119 HD3 ARG 14 1HD ARG 14 0.756 6.137 0.759
120 HE ARG 14 HE ARG 14 3.360 6.265 1.721
121 HH11 ARG 14 1HH1 ARG 14 1.663 5.939 -1.371
122 HH12 ARG 14 2HH1 ARG 14 2.824 6.778 -2.280
123 HH21 ARG 14 1HH2 ARG 14 4.995 7.465 0.436
124 HH22 ARG 14 2HH2 ARG 14 4.735 7.658 -1.236
125 H ARG 15 HN ARG 15 1.175 1.747 0.957
126 HA ARG 15 HA ARG 15 1.888 0.293 3.383
127 HB2 ARG 15 2HB ARG 15 1.784 -0.503 0.501
128 HB3 ARG 15 1HB ARG 15 2.667 -1.455 1.713
129 HG2 ARG 15 2HG ARG 15 -0.210 -0.708 1.843
130 HG3 ARG 15 1HG ARG 15 0.348 -2.231 1.130
131 HD2 ARG 15 2HD ARG 15 0.748 -1.310 3.988
132 HD3 ARG 15 1HD ARG 15 -0.382 -2.543 3.440
133 HE ARG 15 HE ARG 15 1.998 -3.405 2.508
134 HH11 ARG 15 1HH1 ARG 15 0.857 -2.534 5.756
135 HH12 ARG 15 2HH1 ARG 15 1.909 -3.621 6.530
136 HH21 ARG 15 1HH2 ARG 15 3.444 -4.856 3.616
137 HH22 ARG 15 2HH2 ARG 15 3.407 -4.940 5.316
138 H CYS 16 HN CYS 16 3.953 0.101 3.938
139 HA CYS 16 HA CYS 16 5.982 1.197 2.155
140 HB2 CYS 16 2HB CYS 16 5.565 1.871 5.049
141 HB3 CYS 16 1HB CYS 16 7.049 2.258 4.176
142 H ARG 17 HN ARG 17 7.232 -0.451 1.757
143 HA ARG 17 HA ARG 17 7.867 -2.253 3.993
144 HB2 ARG 17 2HB ARG 17 6.744 -3.199 1.804
145 HB3 ARG 17 1HB ARG 17 8.321 -2.947 1.079
146 HG2 ARG 17 2HG ARG 17 7.802 -4.710 3.486
147 HG3 ARG 17 1HG ARG 17 7.917 -5.293 1.832
148 HD2 ARG 17 2HD ARG 17 10.247 -4.558 1.753
149 HD3 ARG 17 1HD ARG 17 10.107 -3.905 3.386
150 HE ARG 17 HE ARG 17 9.399 -6.481 3.709
151 HH11 ARG 17 1HH1 ARG 17 12.262 -4.996 2.254
152 HH12 ARG 17 2HH1 ARG 17 13.288 -6.319 2.577
153 HH21 ARG 17 1HH2 ARG 17 10.822 -8.292 4.173
154 HH22 ARG 17 2HH2 ARG 17 12.454 -8.223 3.671
155 H GLY 18 HN GLY 18 9.576 -1.351 4.825
156 HA2 GLY 18 2HA GLY 18 11.799 -0.825 4.959
157 HA3 GLY 18 1HA GLY 18 11.928 -1.097 3.218
Start of MODEL 15
1 H1 LYS 1 HN LYS 1 12.413 1.080 2.403
2 HA LYS 1 HA LYS 1 11.347 3.409 3.836
3 HB2 LYS 1 2HB LYS 1 12.993 4.793 2.626
4 HB3 LYS 1 1HB LYS 1 13.751 3.541 3.597
5 HG2 LYS 1 2HG LYS 1 14.167 2.217 1.622
6 HG3 LYS 1 1HG LYS 1 13.319 3.401 0.624
7 HD2 LYS 1 2HD LYS 1 14.986 5.079 1.156
8 HD3 LYS 1 1HD LYS 1 15.800 3.962 2.250
9 HE2 LYS 1 2HE LYS 1 16.961 4.094 0.104
10 HE3 LYS 1 1HE LYS 1 16.308 2.485 0.379
11 HZ1 LYS 1 1HZ LYS 1 14.458 3.027 -1.090
12 HZ2 LYS 1 2HZ LYS 1 15.928 3.178 -1.868
13 HZ3 LYS 1 3HZ LYS 1 15.101 4.565 -1.379
14 H TRP 2 HN TRP 2 10.756 1.442 1.241
15 HA TRP 2 HA TRP 2 9.735 3.588 -0.440
16 HB2 TRP 2 2HB TRP 2 11.045 1.958 -1.649
17 HB3 TRP 2 1HB TRP 2 10.087 0.636 -0.992
18 HD1 TRP 2 1HD TRP 2 8.956 3.878 -2.848
19 HE1 TRP 2 1HE TRP 2 7.411 3.181 -4.782
20 HE3 TRP 2 3HE TRP 2 9.243 -1.195 -2.315
21 HZ2 TRP 2 2HZ TRP 2 6.467 0.777 -5.951
22 HZ3 TRP 2 3HZ TRP 2 7.990 -2.625 -3.892
23 HH2 TRP 2 2HH TRP 2 6.638 -1.650 -5.664
24 H CYS 3 HN CYS 3 7.704 4.141 -0.476
25 HA CYS 3 HA CYS 3 5.751 2.311 0.715
26 HB2 CYS 3 2HB CYS 3 5.756 5.330 0.734
27 HB3 CYS 3 1HB CYS 3 4.535 4.288 1.452
28 H PHE 4 HN PHE 4 4.338 1.595 -0.688
29 HA PHE 4 HA PHE 4 3.745 3.235 -3.037
30 HB2 PHE 4 2HB PHE 4 3.389 1.134 -4.317
31 HB3 PHE 4 1HB PHE 4 5.042 1.320 -3.751
32 HD1 PHE 4 1HD PHE 4 5.731 0.024 -1.667
33 HD2 PHE 4 2HD PHE 4 2.165 -0.782 -3.834
34 HE1 PHE 4 1HE PHE 4 5.615 -2.212 -0.647
35 HE2 PHE 4 2HE PHE 4 2.053 -3.011 -2.816
36 HZ PHE 4 HZ PHE 4 3.767 -3.724 -1.225
37 H ARG 5 HN ARG 5 1.639 2.844 -3.997
38 HA ARG 5 HA ARG 5 -0.372 2.740 -1.881
39 HB2 ARG 5 2HB ARG 5 -0.135 4.780 -3.197
40 HB3 ARG 5 1HB ARG 5 -0.389 3.868 -4.670
41 HG2 ARG 5 2HG ARG 5 -2.682 3.387 -3.964
42 HG3 ARG 5 1HG ARG 5 -2.412 4.320 -2.486
43 HD2 ARG 5 2HD ARG 5 -1.951 6.298 -3.761
44 HD3 ARG 5 1HD ARG 5 -2.065 5.406 -5.268
45 HE ARG 5 HE ARG 5 -4.312 5.878 -3.446
46 HH11 ARG 5 1HH1 ARG 5 -3.042 5.439 -6.746
47 HH12 ARG 5 2HH1 ARG 5 -4.449 5.964 -7.523
48 HH21 ARG 5 1HH2 ARG 5 -6.302 6.595 -4.551
49 HH22 ARG 5 2HH2 ARG 5 -6.336 6.622 -6.245
50 H VAL 6 HN VAL 6 -1.878 1.177 -1.844
51 HA VAL 6 HA VAL 6 -2.176 -0.530 -4.216
52 HB VAL 6 HB VAL 6 -2.369 -1.491 -1.349
53 HG11 VAL 6 1HG1 VAL 6 -2.386 -3.739 -2.332
54 HG12 VAL 6 2HG1 VAL 6 -2.355 -3.025 -3.944
55 HG13 VAL 6 3HG1 VAL 6 -3.744 -2.760 -2.891
56 HG21 VAL 6 1HG2 VAL 6 -0.269 -2.694 -1.712
57 HG22 VAL 6 2HG2 VAL 6 -0.048 -0.947 -1.837
58 HG23 VAL 6 3HG2 VAL 6 -0.111 -1.936 -3.295
59 H CYS 7 HN CYS 7 -4.203 -0.567 -4.871
60 HA CYS 7 HA CYS 7 -6.274 0.253 -2.985
61 HB2 CYS 7 2HB CYS 7 -6.229 0.419 -6.005
62 HB3 CYS 7 1HB CYS 7 -7.602 0.855 -4.993
63 H TYR 8 HN TYR 8 -7.503 -1.252 -2.287
64 HA TYR 8 HA TYR 8 -7.917 -3.669 -3.887
65 HB2 TYR 8 2HB TYR 8 -6.409 -3.997 -1.917
66 HB3 TYR 8 1HB TYR 8 -7.694 -3.403 -0.889
67 HD1 TYR 8 1HD TYR 8 -9.229 -4.893 0.058
68 HD2 TYR 8 2HD TYR 8 -6.984 -6.114 -3.343
69 HE1 TYR 8 1HE TYR 8 -10.116 -7.171 0.295
70 HE2 TYR 8 2HE TYR 8 -7.864 -8.381 -3.122
71 HH TYR 8 HH TYR 8 -8.775 -9.796 -1.307
72 H ARG 9 HN ARG 9 -9.900 -3.375 -4.614
73 HA ARG 9 HA ARG 9 -12.124 -3.090 -4.747
74 HB2 ARG 9 2HB ARG 9 -12.010 -3.556 -1.761
75 HB3 ARG 9 1HB ARG 9 -13.505 -3.476 -2.680
76 HG2 ARG 9 2HG ARG 9 -12.840 -5.423 -3.970
77 HG3 ARG 9 1HG ARG 9 -11.298 -5.470 -3.108
78 HD2 ARG 9 2HD ARG 9 -12.441 -5.854 -1.030
79 HD3 ARG 9 1HD ARG 9 -14.011 -5.750 -1.832
80 HE ARG 9 HE ARG 9 -12.913 -7.695 -3.198
81 HH11 ARG 9 1HH1 ARG 9 -12.877 -7.187 0.291
82 HH12 ARG 9 2HH1 ARG 9 -12.806 -8.849 0.671
83 HH21 ARG 9 1HH2 ARG 9 -12.841 -9.951 -2.675
84 HH22 ARG 9 2HH2 ARG 9 -12.816 -10.467 -1.058
85 H GLY 10 HN GLY 10 -10.339 -0.858 -4.274
86 HA2 GLY 10 2HA GLY 10 -10.926 1.419 -4.531
87 HA3 GLY 10 1HA GLY 10 -12.375 1.137 -3.577
88 H ILE 11 HN ILE 11 -10.466 -0.465 -1.741
89 HA ILE 11 HA ILE 11 -9.931 1.714 0.063
90 HB ILE 11 HB ILE 11 -9.177 -1.219 0.252
91 HG12 ILE 11 2HG1 ILE 11 -11.526 0.203 1.499
92 HG13 ILE 11 1HG1 ILE 11 -11.631 -0.819 0.069
93 HG21 ILE 11 1HG2 ILE 11 -7.828 0.178 1.723
94 HG22 ILE 11 2HG2 ILE 11 -8.955 -0.792 2.671
95 HG23 ILE 11 3HG2 ILE 11 -9.282 0.915 2.392
96 HD11 ILE 11 1HD1 ILE 11 -10.737 -1.698 2.795
97 HD12 ILE 11 2HD1 ILE 11 -10.914 -2.731 1.373
98 HD13 ILE 11 3HD1 ILE 11 -12.335 -1.976 2.103
99 H CYS 12 HN CYS 12 -8.183 2.910 -0.404
100 HA CYS 12 HA CYS 12 -5.873 1.496 -1.501
101 HB2 CYS 12 2HB CYS 12 -6.347 4.462 -1.541
102 HB3 CYS 12 1HB CYS 12 -5.066 3.588 -2.344
103 H TYR 13 HN TYR 13 -4.322 1.137 -0.265
104 HA TYR 13 HA TYR 13 -3.870 2.899 2.008
105 HB2 TYR 13 2HB TYR 13 -2.931 0.871 3.198
106 HB3 TYR 13 1HB TYR 13 -4.672 0.897 2.980
107 HD1 TYR 13 1HD TYR 13 -5.767 -0.878 1.875
108 HD2 TYR 13 2HD TYR 13 -1.511 -0.620 1.652
109 HE1 TYR 13 1HE TYR 13 -5.673 -3.132 0.905
110 HE2 TYR 13 2HE TYR 13 -1.437 -2.853 0.694
111 HH TYR 13 HH TYR 13 -2.713 -4.824 0.624
112 H ARG 14 HN ARG 14 -1.662 2.912 2.768
113 HA ARG 14 HA ARG 14 0.175 2.819 0.502
114 HB2 ARG 14 2HB ARG 14 -0.239 5.047 1.487
115 HB3 ARG 14 1HB ARG 14 0.249 4.442 3.058
116 HG2 ARG 14 2HG ARG 14 2.049 5.719 2.133
117 HG3 ARG 14 1HG ARG 14 2.509 4.017 2.139
118 HD2 ARG 14 2HD ARG 14 3.180 5.058 0.044
119 HD3 ARG 14 1HD ARG 14 1.922 3.865 -0.253
120 HE ARG 14 HE ARG 14 0.590 6.205 0.049
121 HH11 ARG 14 1HH1 ARG 14 3.263 5.227 -2.122
122 HH12 ARG 14 2HH1 ARG 14 2.743 6.211 -3.388
123 HH21 ARG 14 1HH2 ARG 14 -0.065 7.575 -1.700
124 HH22 ARG 14 2HH2 ARG 14 0.852 7.614 -3.141
125 H ARG 15 HN ARG 15 1.484 1.120 0.595
126 HA ARG 15 HA ARG 15 2.089 -0.040 3.209
127 HB2 ARG 15 2HB ARG 15 2.296 -1.104 0.448
128 HB3 ARG 15 1HB ARG 15 3.085 -1.925 1.810
129 HG2 ARG 15 2HG ARG 15 0.178 -1.522 1.185
130 HG3 ARG 15 1HG ARG 15 1.057 -3.039 1.314
131 HD2 ARG 15 2HD ARG 15 0.323 -1.155 3.554
132 HD3 ARG 15 1HD ARG 15 -0.268 -2.788 3.278
133 HE ARG 15 HE ARG 15 2.328 -3.237 3.535
134 HH11 ARG 15 1HH1 ARG 15 0.026 -1.476 5.554
135 HH12 ARG 15 2HH1 ARG 15 0.992 -1.513 6.951
136 HH21 ARG 15 1HH2 ARG 15 3.629 -3.375 5.472
137 HH22 ARG 15 2HH2 ARG 15 3.091 -2.653 6.912
138 H CYS 16 HN CYS 16 3.904 0.316 4.056
139 HA CYS 16 HA CYS 16 6.112 1.308 2.422
140 HB2 CYS 16 2HB CYS 16 5.536 1.529 5.360
141 HB3 CYS 16 1HB CYS 16 7.048 2.066 4.628
142 H ARG 17 HN ARG 17 7.498 -0.206 1.838
143 HA ARG 17 HA ARG 17 8.181 -2.196 3.815
144 HB2 ARG 17 2HB ARG 17 8.954 -3.586 1.923
145 HB3 ARG 17 1HB ARG 17 7.213 -3.343 1.927
146 HG2 ARG 17 2HG ARG 17 7.532 -1.653 0.135
147 HG3 ARG 17 1HG ARG 17 9.256 -2.020 0.142
148 HD2 ARG 17 2HD ARG 17 7.029 -3.970 -0.467
149 HD3 ARG 17 1HD ARG 17 8.122 -3.224 -1.634
150 HE ARG 17 HE ARG 17 9.783 -4.458 0.117
151 HH11 ARG 17 1HH1 ARG 17 7.089 -5.619 -1.897
152 HH12 ARG 17 2HH1 ARG 17 7.685 -7.198 -2.016
153 HH21 ARG 17 1HH2 ARG 17 10.565 -6.649 -0.042
154 HH22 ARG 17 2HH2 ARG 17 9.699 -7.815 -0.928
155 H GLY 18 HN GLY 18 9.856 -1.464 4.807
156 HA2 GLY 18 2HA GLY 18 12.038 -0.807 5.129
157 HA3 GLY 18 1HA GLY 18 12.269 -0.816 3.379
Start of MODEL 16
1 H1 LYS 1 HN LYS 1 12.890 0.995 2.359
2 HA LYS 1 HA LYS 1 11.929 3.681 3.051
3 HB2 LYS 1 2HB LYS 1 14.252 2.859 1.300
4 HB3 LYS 1 1HB LYS 1 13.768 4.517 1.644
5 HG2 LYS 1 2HG LYS 1 14.119 4.039 4.033
6 HG3 LYS 1 1HG LYS 1 14.810 2.489 3.583
7 HD2 LYS 1 2HD LYS 1 16.532 3.579 2.234
8 HD3 LYS 1 1HD LYS 1 15.861 5.160 2.626
9 HE2 LYS 1 2HE LYS 1 17.066 3.208 4.591
10 HE3 LYS 1 1HE LYS 1 17.845 4.654 3.969
11 HZ1 LYS 1 1HZ LYS 1 16.093 5.987 5.008
12 HZ2 LYS 1 2HZ LYS 1 16.921 5.054 6.139
13 HZ3 LYS 1 3HZ LYS 1 15.391 4.592 5.652
14 H TRP 2 HN TRP 2 10.894 1.347 1.470
15 HA TRP 2 HA TRP 2 10.086 2.844 -0.925
16 HB2 TRP 2 2HB TRP 2 11.312 0.884 -1.571
17 HB3 TRP 2 1HB TRP 2 10.374 -0.127 -0.485
18 HD1 TRP 2 1HD TRP 2 9.403 2.229 -3.418
19 HE1 TRP 2 1HE TRP 2 7.702 0.955 -4.907
20 HE3 TRP 2 3HE TRP 2 9.232 -2.173 -0.884
21 HZ2 TRP 2 2HZ TRP 2 6.485 -1.569 -4.994
22 HZ3 TRP 2 3HZ TRP 2 7.781 -3.983 -1.733
23 HH2 TRP 2 2HH TRP 2 6.445 -3.679 -3.749
24 H CYS 3 HN CYS 3 8.179 3.726 -0.528
25 HA CYS 3 HA CYS 3 6.134 2.056 0.721
26 HB2 CYS 3 2HB CYS 3 6.240 5.076 0.462
27 HB3 CYS 3 1HB CYS 3 4.903 4.168 1.153
28 H PHE 4 HN PHE 4 4.130 1.877 -0.254
29 HA PHE 4 HA PHE 4 3.924 2.818 -2.982
30 HB2 PHE 4 2HB PHE 4 3.276 0.473 -3.707
31 HB3 PHE 4 1HB PHE 4 4.977 0.722 -3.351
32 HD1 PHE 4 1HD PHE 4 2.015 -1.156 -2.560
33 HD2 PHE 4 2HD PHE 4 5.900 -0.150 -1.159
34 HE1 PHE 4 1HE PHE 4 1.973 -3.094 -1.024
35 HE2 PHE 4 2HE PHE 4 5.859 -2.073 0.368
36 HZ PHE 4 HZ PHE 4 3.896 -3.548 0.434
37 H ARG 5 HN ARG 5 1.802 2.598 -3.891
38 HA ARG 5 HA ARG 5 -0.302 2.882 -1.876
39 HB2 ARG 5 2HB ARG 5 0.033 4.785 -3.384
40 HB3 ARG 5 1HB ARG 5 -0.118 3.727 -4.777
41 HG2 ARG 5 2HG ARG 5 -2.459 3.256 -4.104
42 HG3 ARG 5 1HG ARG 5 -2.280 4.444 -2.811
43 HD2 ARG 5 2HD ARG 5 -1.806 6.176 -4.448
44 HD3 ARG 5 1HD ARG 5 -1.929 5.000 -5.758
45 HE ARG 5 HE ARG 5 -4.197 5.515 -3.982
46 HH11 ARG 5 1HH1 ARG 5 -2.856 5.557 -7.276
47 HH12 ARG 5 2HH1 ARG 5 -4.350 5.902 -8.016
48 HH21 ARG 5 1HH2 ARG 5 -6.221 5.972 -5.029
49 HH22 ARG 5 2HH2 ARG 5 -6.305 6.135 -6.727
50 H VAL 6 HN VAL 6 -1.898 1.349 -1.799
51 HA VAL 6 HA VAL 6 -2.148 -0.430 -4.118
52 HB VAL 6 HB VAL 6 -2.315 -1.304 -1.219
53 HG11 VAL 6 1HG1 VAL 6 -2.530 -3.590 -2.133
54 HG12 VAL 6 2HG1 VAL 6 -2.535 -2.927 -3.767
55 HG13 VAL 6 3HG1 VAL 6 -3.856 -2.551 -2.662
56 HG21 VAL 6 1HG2 VAL 6 -0.329 -2.667 -1.691
57 HG22 VAL 6 2HG2 VAL 6 -0.016 -0.939 -1.859
58 HG23 VAL 6 3HG2 VAL 6 -0.228 -1.940 -3.297
59 H CYS 7 HN CYS 7 -4.127 -0.372 -4.877
60 HA CYS 7 HA CYS 7 -6.298 0.384 -3.072
61 HB2 CYS 7 2HB CYS 7 -6.108 0.579 -6.089
62 HB3 CYS 7 1HB CYS 7 -7.543 0.944 -5.134
63 H TYR 8 HN TYR 8 -7.471 -1.168 -2.421
64 HA TYR 8 HA TYR 8 -7.674 -3.590 -4.057
65 HB2 TYR 8 2HB TYR 8 -6.287 -3.648 -1.890
66 HB3 TYR 8 1HB TYR 8 -7.812 -3.439 -1.050
67 HD1 TYR 8 1HD TYR 8 -5.505 -5.752 -2.349
68 HD2 TYR 8 2HD TYR 8 -9.646 -5.240 -1.601
69 HE1 TYR 8 1HE TYR 8 -5.794 -8.168 -2.374
70 HE2 TYR 8 2HE TYR 8 -9.955 -7.676 -1.620
71 HH TYR 8 HH TYR 8 -7.422 -9.812 -1.375
72 H ARG 9 HN ARG 9 -9.595 -3.163 -4.973
73 HA ARG 9 HA ARG 9 -11.799 -3.012 -5.306
74 HB2 ARG 9 2HB ARG 9 -11.949 -4.153 -2.518
75 HB3 ARG 9 1HB ARG 9 -13.301 -4.070 -3.642
76 HG2 ARG 9 2HG ARG 9 -12.026 -5.471 -5.222
77 HG3 ARG 9 1HG ARG 9 -10.750 -5.616 -4.015
78 HD2 ARG 9 2HD ARG 9 -13.603 -6.521 -3.707
79 HD3 ARG 9 1HD ARG 9 -12.214 -7.561 -4.011
80 HE ARG 9 HE ARG 9 -11.960 -5.951 -1.645
81 HH11 ARG 9 1HH1 ARG 9 -13.189 -8.986 -2.942
82 HH12 ARG 9 2HH1 ARG 9 -13.240 -9.791 -1.446
83 HH21 ARG 9 1HH2 ARG 9 -11.982 -7.056 0.430
84 HH22 ARG 9 2HH2 ARG 9 -12.511 -8.675 0.507
85 H GLY 10 HN GLY 10 -10.548 -0.665 -4.373
86 HA2 GLY 10 2HA GLY 10 -11.760 1.420 -4.371
87 HA3 GLY 10 1HA GLY 10 -12.941 0.670 -3.310
88 H ILE 11 HN ILE 11 -10.561 -0.534 -1.820
89 HA ILE 11 HA ILE 11 -10.177 1.811 -0.119
90 HB ILE 11 HB ILE 11 -9.464 -1.082 0.470
91 HG12 ILE 11 2HG1 ILE 11 -11.891 0.493 1.365
92 HG13 ILE 11 1HG1 ILE 11 -11.908 -0.766 0.135
93 HG21 ILE 11 1HG2 ILE 11 -9.701 1.346 2.261
94 HG22 ILE 11 2HG2 ILE 11 -8.204 0.544 1.794
95 HG23 ILE 11 3HG2 ILE 11 -9.374 -0.296 2.813
96 HD11 ILE 11 1HD1 ILE 11 -12.730 -1.595 2.261
97 HD12 ILE 11 2HD1 ILE 11 -11.222 -1.132 3.046
98 HD13 ILE 11 3HD1 ILE 11 -11.228 -2.402 1.823
99 H CYS 12 HN CYS 12 -8.402 2.927 -0.562
100 HA CYS 12 HA CYS 12 -6.054 1.467 -1.520
101 HB2 CYS 12 2HB CYS 12 -6.481 4.454 -1.525
102 HB3 CYS 12 1HB CYS 12 -5.194 3.562 -2.298
103 H TYR 13 HN TYR 13 -4.417 1.211 -0.290
104 HA TYR 13 HA TYR 13 -4.224 2.870 2.077
105 HB2 TYR 13 2HB TYR 13 -3.290 0.745 3.231
106 HB3 TYR 13 1HB TYR 13 -5.025 0.939 3.065
107 HD1 TYR 13 1HD TYR 13 -2.095 -0.767 1.518
108 HD2 TYR 13 2HD TYR 13 -6.300 -0.733 2.050
109 HE1 TYR 13 1HE TYR 13 -2.233 -3.005 0.517
110 HE2 TYR 13 2HE TYR 13 -6.462 -2.957 1.043
111 HH TYR 13 HH TYR 13 -5.204 -4.405 -0.430
112 H ARG 14 HN ARG 14 -2.219 3.246 2.911
113 HA ARG 14 HA ARG 14 -0.080 3.239 0.926
114 HB2 ARG 14 2HB ARG 14 -0.253 4.552 3.653
115 HB3 ARG 14 1HB ARG 14 1.022 4.775 2.469
116 HG2 ARG 14 2HG ARG 14 -1.843 5.557 2.034
117 HG3 ARG 14 1HG ARG 14 -0.581 6.645 2.610
118 HD2 ARG 14 2HD ARG 14 -0.567 5.177 -0.030
119 HD3 ARG 14 1HD ARG 14 -0.982 6.871 0.220
120 HE ARG 14 HE ARG 14 1.597 6.301 1.253
121 HH11 ARG 14 1HH1 ARG 14 -0.103 6.987 -1.776
122 HH12 ARG 14 2HH1 ARG 14 1.293 7.506 -2.600
123 HH21 ARG 14 1HH2 ARG 14 3.481 7.054 0.144
124 HH22 ARG 14 2HH2 ARG 14 3.389 7.570 -1.483
125 H ARG 15 HN ARG 15 1.255 1.518 1.026
126 HA ARG 15 HA ARG 15 1.826 0.438 3.696
127 HB2 ARG 15 2HB ARG 15 1.810 -0.960 1.026
128 HB3 ARG 15 1HB ARG 15 2.468 -1.676 2.493
129 HG2 ARG 15 2HG ARG 15 -0.346 -0.739 2.142
130 HG3 ARG 15 1HG ARG 15 0.151 -2.413 1.860
131 HD2 ARG 15 2HD ARG 15 -0.827 -2.295 4.048
132 HD3 ARG 15 1HD ARG 15 0.909 -2.438 4.284
133 HE ARG 15 HE ARG 15 0.049 0.284 4.259
134 HH11 ARG 15 1HH1 ARG 15 0.115 -2.565 6.364
135 HH12 ARG 15 2HH1 ARG 15 0.279 -1.643 7.790
136 HH21 ARG 15 1HH2 ARG 15 0.186 1.500 6.191
137 HH22 ARG 15 2HH2 ARG 15 0.277 0.709 7.705
138 H CYS 16 HN CYS 16 3.969 -0.073 4.199
139 HA CYS 16 HA CYS 16 5.908 1.028 2.332
140 HB2 CYS 16 2HB CYS 16 5.769 1.539 5.297
141 HB3 CYS 16 1HB CYS 16 7.175 1.898 4.305
142 H ARG 17 HN ARG 17 7.759 0.014 2.146
143 HA ARG 17 HA ARG 17 8.402 -2.109 4.010
144 HB2 ARG 17 2HB ARG 17 7.465 -3.195 2.026
145 HB3 ARG 17 1HB ARG 17 8.529 -2.253 0.989
146 HG2 ARG 17 2HG ARG 17 10.468 -3.338 2.050
147 HG3 ARG 17 1HG ARG 17 9.357 -4.319 3.002
148 HD2 ARG 17 2HD ARG 17 8.479 -5.324 1.003
149 HD3 ARG 17 1HD ARG 17 9.493 -4.282 -0.002
150 HE ARG 17 HE ARG 17 11.232 -5.503 1.671
151 HH11 ARG 17 1HH1 ARG 17 8.829 -6.727 -0.591
152 HH12 ARG 17 2HH1 ARG 17 9.690 -8.141 -0.954
153 HH21 ARG 17 1HH2 ARG 17 12.407 -7.385 1.196
154 HH22 ARG 17 2HH2 ARG 17 11.811 -8.533 0.083
155 H GLY 18 HN GLY 18 9.904 -0.879 4.974
156 HA2 GLY 18 2HA GLY 18 12.036 -0.130 5.315
157 HA3 GLY 18 1HA GLY 18 12.421 -0.597 3.657
Start of MODEL 17
1 H1 LYS 1 HN LYS 1 12.199 0.257 1.686
2 HA LYS 1 HA LYS 1 11.393 2.343 3.579
3 HB2 LYS 1 2HB LYS 1 13.115 3.788 2.726
4 HB3 LYS 1 1HB LYS 1 13.861 2.272 3.188
5 HG2 LYS 1 2HG LYS 1 14.085 1.622 0.887
6 HG3 LYS 1 1HG LYS 1 13.136 3.019 0.364
7 HD2 LYS 1 2HD LYS 1 14.869 4.498 1.370
8 HD3 LYS 1 1HD LYS 1 15.837 3.067 1.712
9 HE2 LYS 1 2HE LYS 1 14.952 3.970 -1.037
10 HE3 LYS 1 1HE LYS 1 16.543 4.253 -0.347
11 HZ1 LYS 1 1HZ LYS 1 15.375 1.570 -0.866
12 HZ2 LYS 1 2HZ LYS 1 16.925 1.873 -0.310
13 HZ3 LYS 1 3HZ LYS 1 16.465 2.362 -1.867
14 H TRP 2 HN TRP 2 10.344 0.820 0.970
15 HA TRP 2 HA TRP 2 9.680 3.196 -0.556
16 HB2 TRP 2 2HB TRP 2 10.620 1.306 -1.807
17 HB3 TRP 2 1HB TRP 2 9.320 0.272 -1.235
18 HD1 TRP 2 1HD TRP 2 8.936 3.829 -2.730
19 HE1 TRP 2 1HE TRP 2 7.440 3.659 -4.823
20 HE3 TRP 2 3HE TRP 2 8.374 -1.246 -2.932
21 HZ2 TRP 2 2HZ TRP 2 6.217 1.664 -6.358
22 HZ3 TRP 2 3HZ TRP 2 7.030 -2.197 -4.763
23 HH2 TRP 2 2HH TRP 2 5.982 -0.763 -6.434
24 H CYS 3 HN CYS 3 7.876 4.167 -0.184
25 HA CYS 3 HA CYS 3 5.618 2.695 0.959
26 HB2 CYS 3 2HB CYS 3 6.199 5.670 0.994
27 HB3 CYS 3 1HB CYS 3 4.844 4.852 1.766
28 H PHE 4 HN PHE 4 4.004 2.354 -0.342
29 HA PHE 4 HA PHE 4 3.640 4.082 -2.654
30 HB2 PHE 4 2HB PHE 4 3.352 2.110 -4.119
31 HB3 PHE 4 1HB PHE 4 4.981 2.254 -3.483
32 HD1 PHE 4 1HD PHE 4 2.072 0.165 -3.779
33 HD2 PHE 4 2HD PHE 4 5.674 0.722 -1.584
34 HE1 PHE 4 1HE PHE 4 1.968 -2.171 -3.012
35 HE2 PHE 4 2HE PHE 4 5.569 -1.603 -0.808
36 HZ PHE 4 HZ PHE 4 3.715 -3.059 -1.525
37 H ARG 5 HN ARG 5 1.612 3.770 -3.725
38 HA ARG 5 HA ARG 5 -0.585 3.584 -1.897
39 HB2 ARG 5 2HB ARG 5 -0.614 5.232 -3.675
40 HB3 ARG 5 1HB ARG 5 -0.415 3.977 -4.887
41 HG2 ARG 5 2HG ARG 5 -2.623 3.099 -4.363
42 HG3 ARG 5 1HG ARG 5 -2.826 4.320 -3.108
43 HD2 ARG 5 2HD ARG 5 -2.652 6.085 -4.781
44 HD3 ARG 5 1HD ARG 5 -2.366 4.864 -6.020
45 HE ARG 5 HE ARG 5 -4.683 4.048 -5.177
46 HH11 ARG 5 1HH1 ARG 5 -3.672 7.395 -5.774
47 HH12 ARG 5 2HH1 ARG 5 -5.234 7.953 -6.163
48 HH21 ARG 5 1HH2 ARG 5 -6.848 4.825 -5.710
49 HH22 ARG 5 2HH2 ARG 5 -7.080 6.453 -6.123
50 H VAL 6 HN VAL 6 -1.690 1.825 -1.467
51 HA VAL 6 HA VAL 6 -1.472 -0.493 -3.259
52 HB VAL 6 HB VAL 6 -2.073 -0.469 -0.286
53 HG11 VAL 6 1HG1 VAL 6 -3.114 -2.336 -1.432
54 HG12 VAL 6 2HG1 VAL 6 -1.800 -2.895 -0.401
55 HG13 VAL 6 3HG1 VAL 6 -1.564 -2.788 -2.143
56 HG21 VAL 6 1HG2 VAL 6 0.463 -1.246 -1.708
57 HG22 VAL 6 2HG2 VAL 6 0.134 -1.501 0.003
58 HG23 VAL 6 3HG2 VAL 6 0.239 0.141 -0.639
59 H CYS 7 HN CYS 7 -3.389 -0.952 -4.213
60 HA CYS 7 HA CYS 7 -5.759 0.064 -2.862
61 HB2 CYS 7 2HB CYS 7 -5.358 -0.367 -5.828
62 HB3 CYS 7 1HB CYS 7 -6.874 0.119 -5.076
63 H TYR 8 HN TYR 8 -7.163 -1.242 -2.153
64 HA TYR 8 HA TYR 8 -7.147 -4.027 -3.036
65 HB2 TYR 8 2HB TYR 8 -5.880 -3.751 -0.926
66 HB3 TYR 8 1HB TYR 8 -7.292 -2.971 -0.227
67 HD1 TYR 8 1HD TYR 8 -8.968 -4.237 0.810
68 HD2 TYR 8 2HD TYR 8 -6.060 -6.190 -1.591
69 HE1 TYR 8 1HE TYR 8 -9.755 -6.401 1.642
70 HE2 TYR 8 2HE TYR 8 -6.827 -8.360 -0.777
71 HH TYR 8 HH TYR 8 -7.969 -9.259 1.136
72 H ARG 9 HN ARG 9 -9.018 -4.017 -4.080
73 HA ARG 9 HA ARG 9 -11.247 -4.128 -4.477
74 HB2 ARG 9 2HB ARG 9 -11.418 -4.051 -1.462
75 HB3 ARG 9 1HB ARG 9 -12.781 -4.396 -2.519
76 HG2 ARG 9 2HG ARG 9 -11.637 -6.369 -3.376
77 HG3 ARG 9 1HG ARG 9 -10.244 -6.007 -2.359
78 HD2 ARG 9 2HD ARG 9 -11.631 -7.748 -1.373
79 HD3 ARG 9 1HD ARG 9 -11.615 -6.309 -0.365
80 HE ARG 9 HE ARG 9 -13.798 -5.908 -1.813
81 HH11 ARG 9 1HH1 ARG 9 -12.718 -8.829 -0.121
82 HH12 ARG 9 2HH1 ARG 9 -14.278 -9.348 0.295
83 HH21 ARG 9 1HH2 ARG 9 -15.956 -6.628 -1.251
84 HH22 ARG 9 2HH2 ARG 9 -16.164 -8.062 -0.360
85 H GLY 10 HN GLY 10 -9.921 -1.540 -4.329
86 HA2 GLY 10 2HA GLY 10 -10.956 0.461 -5.149
87 HA3 GLY 10 1HA GLY 10 -12.348 0.112 -4.130
88 H ILE 11 HN ILE 11 -10.340 -0.655 -1.993
89 HA ILE 11 HA ILE 11 -10.169 1.997 -0.842
90 HB ILE 11 HB ILE 11 -9.474 -0.708 0.337
91 HG12 ILE 11 2HG1 ILE 11 -11.960 0.974 0.702
92 HG13 ILE 11 1HG1 ILE 11 -11.857 -0.490 -0.267
93 HG21 ILE 11 1HG2 ILE 11 -9.537 0.433 2.502
94 HG22 ILE 11 2HG2 ILE 11 -9.863 1.965 1.698
95 HG23 ILE 11 3HG2 ILE 11 -8.316 1.154 1.451
96 HD11 ILE 11 1HD1 ILE 11 -11.438 -0.293 2.699
97 HD12 ILE 11 2HD1 ILE 11 -11.327 -1.764 1.733
98 HD13 ILE 11 3HD1 ILE 11 -12.870 -0.923 1.883
99 H CYS 12 HN CYS 12 -8.340 3.129 -1.140
100 HA CYS 12 HA CYS 12 -5.908 1.589 -1.609
101 HB2 CYS 12 2HB CYS 12 -6.458 4.468 -2.345
102 HB3 CYS 12 1HB CYS 12 -5.005 3.560 -2.712
103 H TYR 13 HN TYR 13 -4.364 1.681 -0.231
104 HA TYR 13 HA TYR 13 -4.310 3.831 1.723
105 HB2 TYR 13 2HB TYR 13 -3.620 2.099 3.467
106 HB3 TYR 13 1HB TYR 13 -5.309 2.098 3.002
107 HD1 TYR 13 1HD TYR 13 -2.091 0.272 2.605
108 HD2 TYR 13 2HD TYR 13 -6.318 0.143 2.082
109 HE1 TYR 13 1HE TYR 13 -1.974 -2.132 2.211
110 HE2 TYR 13 2HE TYR 13 -6.201 -2.265 1.672
111 HH TYR 13 HH TYR 13 -4.469 -3.962 0.901
112 H ARG 14 HN ARG 14 -2.104 3.708 2.943
113 HA ARG 14 HA ARG 14 -0.094 3.436 0.819
114 HB2 ARG 14 2HB ARG 14 0.079 5.029 3.385
115 HB3 ARG 14 1HB ARG 14 1.219 5.054 2.053
116 HG2 ARG 14 2HG ARG 14 -1.627 6.047 1.965
117 HG3 ARG 14 1HG ARG 14 -0.182 7.048 2.080
118 HD2 ARG 14 2HD ARG 14 -0.861 5.209 -0.214
119 HD3 ARG 14 1HD ARG 14 -1.110 6.950 -0.190
120 HE ARG 14 HE ARG 14 1.584 6.188 0.362
121 HH11 ARG 14 1HH1 ARG 14 -0.716 6.939 -2.208
122 HH12 ARG 14 2HH1 ARG 14 0.465 7.304 -3.371
123 HH21 ARG 14 1HH2 ARG 14 3.231 6.710 -1.209
124 HH22 ARG 14 2HH2 ARG 14 2.775 7.161 -2.785
125 H ARG 15 HN ARG 15 1.438 1.941 1.060
126 HA ARG 15 HA ARG 15 1.958 0.938 3.757
127 HB2 ARG 15 2HB ARG 15 1.548 -0.631 1.249
128 HB3 ARG 15 1HB ARG 15 2.488 -1.304 2.588
129 HG2 ARG 15 2HG ARG 15 -0.368 -0.424 2.597
130 HG3 ARG 15 1HG ARG 15 0.202 -2.093 2.555
131 HD2 ARG 15 2HD ARG 15 0.608 -0.114 4.813
132 HD3 ARG 15 1HD ARG 15 -0.492 -1.483 4.803
133 HE ARG 15 HE ARG 15 1.993 -2.505 4.251
134 HH11 ARG 15 1HH1 ARG 15 0.463 -0.793 6.959
135 HH12 ARG 15 2HH1 ARG 15 1.418 -1.513 8.151
136 HH21 ARG 15 1HH2 ARG 15 3.341 -3.489 5.902
137 HH22 ARG 15 2HH2 ARG 15 3.109 -3.074 7.540
138 H CYS 16 HN CYS 16 4.001 0.520 4.281
139 HA CYS 16 HA CYS 16 6.021 1.353 2.338
140 HB2 CYS 16 2HB CYS 16 6.080 1.514 5.353
141 HB3 CYS 16 1HB CYS 16 7.389 1.995 4.278
142 H ARG 17 HN ARG 17 6.980 -0.294 1.543
143 HA ARG 17 HA ARG 17 7.609 -2.598 3.252
144 HB2 ARG 17 2HB ARG 17 6.267 -3.146 1.253
145 HB3 ARG 17 1HB ARG 17 7.460 -2.357 0.234
146 HG2 ARG 17 2HG ARG 17 9.110 -4.033 0.824
147 HG3 ARG 17 1HG ARG 17 7.954 -4.812 1.907
148 HD2 ARG 17 2HD ARG 17 6.495 -5.302 0.044
149 HD3 ARG 17 1HD ARG 17 7.563 -4.430 -1.053
150 HE ARG 17 HE ARG 17 9.084 -6.370 0.179
151 HH11 ARG 17 1HH1 ARG 17 6.269 -6.308 -1.984
152 HH12 ARG 17 2HH1 ARG 17 6.698 -7.725 -2.814
153 HH21 ARG 17 1HH2 ARG 17 9.633 -8.379 -0.944
154 HH22 ARG 17 2HH2 ARG 17 8.618 -8.939 -2.186
155 H GLY 18 HN GLY 18 9.644 -2.509 3.977
156 HA2 GLY 18 2HA GLY 18 11.885 -2.056 4.058
157 HA3 GLY 18 1HA GLY 18 11.847 -1.775 2.313
Start of MODEL 18
1 H1 LYS 1 HN LYS 1 11.903 0.176 2.045
2 HA LYS 1 HA LYS 1 11.217 2.476 3.735
3 HB2 LYS 1 2HB LYS 1 13.208 3.614 2.884
4 HB3 LYS 1 1HB LYS 1 13.631 2.110 3.698
5 HG2 LYS 1 2HG LYS 1 13.921 1.009 1.558
6 HG3 LYS 1 1HG LYS 1 13.463 2.494 0.720
7 HD2 LYS 1 2HD LYS 1 15.364 3.643 1.698
8 HD3 LYS 1 1HD LYS 1 15.813 2.180 2.574
9 HE2 LYS 1 2HE LYS 1 16.094 1.025 0.408
10 HE3 LYS 1 1HE LYS 1 15.735 2.542 -0.417
11 HZ1 LYS 1 1HZ LYS 1 18.110 2.151 -0.238
12 HZ2 LYS 1 2HZ LYS 1 17.992 2.117 1.453
13 HZ3 LYS 1 3HZ LYS 1 17.656 3.528 0.614
14 H TRP 2 HN TRP 2 10.314 0.841 1.171
15 HA TRP 2 HA TRP 2 9.887 3.140 -0.573
16 HB2 TRP 2 2HB TRP 2 11.009 1.268 -1.657
17 HB3 TRP 2 1HB TRP 2 9.781 0.154 -1.082
18 HD1 TRP 2 1HD TRP 2 9.461 3.469 -3.124
19 HE1 TRP 2 1HE TRP 2 8.046 2.950 -5.217
20 HE3 TRP 2 3HE TRP 2 8.737 -1.529 -2.403
21 HZ2 TRP 2 2HZ TRP 2 6.802 0.713 -6.410
22 HZ3 TRP 2 3HZ TRP 2 7.428 -2.796 -4.074
23 HH2 TRP 2 2HH TRP 2 6.484 -1.689 -6.031
24 H CYS 3 HN CYS 3 8.018 4.081 -0.178
25 HA CYS 3 HA CYS 3 5.776 2.444 0.769
26 HB2 CYS 3 2HB CYS 3 6.197 5.420 1.020
27 HB3 CYS 3 1HB CYS 3 4.906 4.478 1.759
28 H PHE 4 HN PHE 4 4.085 2.254 -0.498
29 HA PHE 4 HA PHE 4 3.723 4.141 -2.672
30 HB2 PHE 4 2HB PHE 4 3.411 2.273 -4.289
31 HB3 PHE 4 1HB PHE 4 5.055 2.392 -3.681
32 HD1 PHE 4 1HD PHE 4 2.219 0.257 -4.136
33 HD2 PHE 4 2HD PHE 4 5.739 0.801 -1.809
34 HE1 PHE 4 1HE PHE 4 2.154 -2.100 -3.469
35 HE2 PHE 4 2HE PHE 4 5.666 -1.544 -1.141
36 HZ PHE 4 HZ PHE 4 3.878 -3.002 -1.963
37 H ARG 5 HN ARG 5 1.669 3.913 -3.708
38 HA ARG 5 HA ARG 5 -0.487 3.635 -1.841
39 HB2 ARG 5 2HB ARG 5 -0.360 5.390 -3.586
40 HB3 ARG 5 1HB ARG 5 -0.467 4.149 -4.815
41 HG2 ARG 5 2HG ARG 5 -2.721 3.560 -3.958
42 HG3 ARG 5 1HG ARG 5 -2.602 4.921 -2.834
43 HD2 ARG 5 2HD ARG 5 -2.233 6.421 -4.739
44 HD3 ARG 5 1HD ARG 5 -2.462 5.068 -5.842
45 HE ARG 5 HE ARG 5 -4.602 5.803 -3.980
46 HH11 ARG 5 1HH1 ARG 5 -3.475 5.532 -7.345
47 HH12 ARG 5 2HH1 ARG 5 -4.989 5.871 -8.012
48 HH21 ARG 5 1HH2 ARG 5 -6.686 6.304 -4.943
49 HH22 ARG 5 2HH2 ARG 5 -6.830 6.341 -6.636
50 H VAL 6 HN VAL 6 -1.759 1.880 -1.613
51 HA VAL 6 HA VAL 6 -1.639 -0.226 -3.659
52 HB VAL 6 HB VAL 6 -1.960 -0.697 -0.687
53 HG11 VAL 6 1HG1 VAL 6 -3.003 -2.393 -2.072
54 HG12 VAL 6 2HG1 VAL 6 -1.586 -3.054 -1.255
55 HG13 VAL 6 3HG1 VAL 6 -1.497 -2.621 -2.962
56 HG21 VAL 6 1HG2 VAL 6 0.499 -1.101 -2.379
57 HG22 VAL 6 2HG2 VAL 6 0.310 -1.628 -0.708
58 HG23 VAL 6 3HG2 VAL 6 0.298 0.093 -1.098
59 H CYS 7 HN CYS 7 -3.593 -0.505 -4.485
60 HA CYS 7 HA CYS 7 -5.901 0.259 -2.852
61 HB2 CYS 7 2HB CYS 7 -5.633 0.049 -5.851
62 HB3 CYS 7 1HB CYS 7 -7.098 0.511 -4.984
63 H TYR 8 HN TYR 8 -7.047 -1.286 -2.063
64 HA TYR 8 HA TYR 8 -7.017 -3.862 -3.428
65 HB2 TYR 8 2HB TYR 8 -5.550 -3.816 -1.420
66 HB3 TYR 8 1HB TYR 8 -6.950 -3.382 -0.453
67 HD1 TYR 8 1HD TYR 8 -8.038 -5.082 0.679
68 HD2 TYR 8 2HD TYR 8 -5.877 -6.045 -2.848
69 HE1 TYR 8 1HE TYR 8 -8.529 -7.453 1.036
70 HE2 TYR 8 2HE TYR 8 -6.361 -8.417 -2.507
71 HH TYR 8 HH TYR 8 -8.687 -9.527 -0.378
72 H ARG 9 HN ARG 9 -8.914 -3.897 -4.272
73 HA ARG 9 HA ARG 9 -11.115 -4.104 -4.561
74 HB2 ARG 9 2HB ARG 9 -11.200 -4.393 -1.550
75 HB3 ARG 9 1HB ARG 9 -12.543 -4.744 -2.622
76 HG2 ARG 9 2HG ARG 9 -11.190 -6.496 -3.709
77 HG3 ARG 9 1HG ARG 9 -9.883 -6.159 -2.574
78 HD2 ARG 9 2HD ARG 9 -12.655 -7.115 -1.866
79 HD3 ARG 9 1HD ARG 9 -11.199 -8.104 -1.888
80 HE ARG 9 HE ARG 9 -10.777 -5.923 -0.175
81 HH11 ARG 9 1HH1 ARG 9 -12.755 -8.851 -0.304
82 HH12 ARG 9 2HH1 ARG 9 -12.833 -9.040 1.385
83 HH21 ARG 9 1HH2 ARG 9 -10.861 -6.200 2.158
84 HH22 ARG 9 2HH2 ARG 9 -11.747 -7.495 2.806
85 H GLY 10 HN GLY 10 -9.946 -1.485 -4.181
86 HA2 GLY 10 2HA GLY 10 -11.232 0.482 -4.753
87 HA3 GLY 10 1HA GLY 10 -12.445 -0.038 -3.590
88 H ILE 11 HN ILE 11 -10.331 -0.777 -1.662
89 HA ILE 11 HA ILE 11 -10.119 1.857 -0.485
90 HB ILE 11 HB ILE 11 -9.301 -0.835 0.661
91 HG12 ILE 11 2HG1 ILE 11 -11.826 0.778 1.136
92 HG13 ILE 11 1HG1 ILE 11 -11.731 -0.694 0.181
93 HG21 ILE 11 1HG2 ILE 11 -8.152 1.052 1.719
94 HG22 ILE 11 2HG2 ILE 11 -9.323 0.332 2.825
95 HG23 ILE 11 3HG2 ILE 11 -9.701 1.846 2.005
96 HD11 ILE 11 1HD1 ILE 11 -12.642 -1.125 2.397
97 HD12 ILE 11 2HD1 ILE 11 -11.181 -0.466 3.134
98 HD13 ILE 11 3HD1 ILE 11 -11.095 -1.945 2.187
99 H CYS 12 HN CYS 12 -8.397 3.050 -0.997
100 HA CYS 12 HA CYS 12 -5.884 1.686 -1.588
101 HB2 CYS 12 2HB CYS 12 -6.587 4.580 -2.020
102 HB3 CYS 12 1HB CYS 12 -5.129 3.772 -2.540
103 H TYR 13 HN TYR 13 -4.390 1.639 -0.216
104 HA TYR 13 HA TYR 13 -4.224 3.674 1.870
105 HB2 TYR 13 2HB TYR 13 -3.375 1.769 3.369
106 HB3 TYR 13 1HB TYR 13 -5.103 1.809 3.054
107 HD1 TYR 13 1HD TYR 13 -6.184 0.023 1.916
108 HD2 TYR 13 2HD TYR 13 -1.946 0.071 2.199
109 HE1 TYR 13 1HE TYR 13 -6.119 -2.275 1.118
110 HE2 TYR 13 2HE TYR 13 -1.875 -2.245 1.396
111 HH TYR 13 HH TYR 13 -4.455 -3.771 -0.047
112 H ARG 14 HN ARG 14 -1.990 3.715 2.799
113 HA ARG 14 HA ARG 14 -0.103 3.354 0.602
114 HB2 ARG 14 2HB ARG 14 -0.416 5.632 1.534
115 HB3 ARG 14 1HB ARG 14 0.097 5.038 3.101
116 HG2 ARG 14 2HG ARG 14 2.312 4.585 2.245
117 HG3 ARG 14 1HG ARG 14 1.807 5.065 0.620
118 HD2 ARG 14 2HD ARG 14 1.829 6.832 3.064
119 HD3 ARG 14 1HD ARG 14 3.007 6.870 1.750
120 HE ARG 14 HE ARG 14 0.832 7.291 0.362
121 HH11 ARG 14 1HH1 ARG 14 1.645 8.733 3.497
122 HH12 ARG 14 2HH1 ARG 14 0.740 10.140 3.243
123 HH21 ARG 14 1HH2 ARG 14 -0.381 9.227 -0.010
124 HH22 ARG 14 2HH2 ARG 14 -0.455 10.444 1.171
125 H ARG 15 HN ARG 15 1.457 1.890 0.788
126 HA ARG 15 HA ARG 15 1.869 0.667 3.428
127 HB2 ARG 15 2HB ARG 15 1.741 -0.566 0.733
128 HB3 ARG 15 1HB ARG 15 2.609 -1.395 2.039
129 HG2 ARG 15 2HG ARG 15 -0.282 -0.655 1.821
130 HG3 ARG 15 1HG ARG 15 0.404 -2.272 1.737
131 HD2 ARG 15 2HD ARG 15 0.409 -0.471 4.162
132 HD3 ARG 15 1HD ARG 15 -0.587 -1.900 3.920
133 HE ARG 15 HE ARG 15 1.856 -2.896 3.607
134 HH11 ARG 15 1HH1 ARG 15 0.593 -0.788 6.172
135 HH12 ARG 15 2HH1 ARG 15 1.568 -1.500 7.374
136 HH21 ARG 15 1HH2 ARG 15 3.181 -3.792 5.232
137 HH22 ARG 15 2HH2 ARG 15 3.092 -3.233 6.831
138 H CYS 16 HN CYS 16 3.787 0.623 4.173
139 HA CYS 16 HA CYS 16 5.964 1.449 2.443
140 HB2 CYS 16 2HB CYS 16 5.704 1.433 5.439
141 HB3 CYS 16 1HB CYS 16 7.222 1.750 4.603
142 H ARG 17 HN ARG 17 6.960 -0.029 1.534
143 HA ARG 17 HA ARG 17 7.338 -2.633 2.793
144 HB2 ARG 17 2HB ARG 17 6.230 -2.577 0.617
145 HB3 ARG 17 1HB ARG 17 7.552 -1.642 -0.052
146 HG2 ARG 17 2HG ARG 17 9.022 -3.535 0.130
147 HG3 ARG 17 1HG ARG 17 7.761 -4.488 0.923
148 HD2 ARG 17 2HD ARG 17 6.337 -4.225 -1.047
149 HD3 ARG 17 1HD ARG 17 7.599 -3.295 -1.836
150 HE ARG 17 HE ARG 17 8.824 -5.599 -1.229
151 HH11 ARG 17 1HH1 ARG 17 5.764 -4.932 -2.850
152 HH12 ARG 17 2HH1 ARG 17 5.903 -6.199 -3.980
153 HH21 ARG 17 1HH2 ARG 17 9.016 -7.342 -2.761
154 HH22 ARG 17 2HH2 ARG 17 7.807 -7.619 -3.916
155 H GLY 18 HN GLY 18 9.084 -2.280 4.052
156 HA2 GLY 18 2HA GLY 18 11.299 -2.001 4.582
157 HA3 GLY 18 1HA GLY 18 11.642 -1.807 2.861
Start of MODEL 19
1 H1 LYS 1 HN LYS 1 12.005 0.356 2.403
2 HA LYS 1 HA LYS 1 11.167 2.595 4.096
3 HB2 LYS 1 2HB LYS 1 13.007 3.894 3.042
4 HB3 LYS 1 1HB LYS 1 13.564 2.513 3.983
5 HG2 LYS 1 2HG LYS 1 13.963 1.245 1.975
6 HG3 LYS 1 1HG LYS 1 13.295 2.543 0.984
7 HD2 LYS 1 2HD LYS 1 15.737 2.814 2.744
8 HD3 LYS 1 1HD LYS 1 15.797 2.447 1.023
9 HE2 LYS 1 2HE LYS 1 14.641 4.572 0.550
10 HE3 LYS 1 1HE LYS 1 14.621 4.933 2.271
11 HZ1 LYS 1 1HZ LYS 1 17.072 4.591 0.620
12 HZ2 LYS 1 2HZ LYS 1 17.034 4.987 2.262
13 HZ3 LYS 1 3HZ LYS 1 16.429 6.057 1.139
14 H TRP 2 HN TRP 2 10.781 1.013 1.152
15 HA TRP 2 HA TRP 2 9.988 3.321 -0.371
16 HB2 TRP 2 2HB TRP 2 11.124 1.616 -1.600
17 HB3 TRP 2 1HB TRP 2 10.052 0.365 -0.985
18 HD1 TRP 2 1HD TRP 2 9.364 3.680 -2.933
19 HE1 TRP 2 1HE TRP 2 7.793 3.104 -4.905
20 HE3 TRP 2 3HE TRP 2 8.964 -1.356 -2.213
21 HZ2 TRP 2 2HZ TRP 2 6.584 0.827 -6.011
22 HZ3 TRP 2 3HZ TRP 2 7.593 -2.662 -3.777
23 HH2 TRP 2 2HH TRP 2 6.426 -1.588 -5.638
24 H CYS 3 HN CYS 3 8.104 4.157 -0.287
25 HA CYS 3 HA CYS 3 5.839 2.575 0.690
26 HB2 CYS 3 2HB CYS 3 6.216 5.567 0.683
27 HB3 CYS 3 1HB CYS 3 4.839 4.694 1.346
28 H PHE 4 HN PHE 4 4.192 2.257 -0.560
29 HA PHE 4 HA PHE 4 3.806 3.824 -2.974
30 HB2 PHE 4 2HB PHE 4 3.414 1.681 -4.235
31 HB3 PHE 4 1HB PHE 4 5.083 1.905 -3.735
32 HD1 PHE 4 1HD PHE 4 5.889 0.630 -1.669
33 HD2 PHE 4 2HD PHE 4 2.238 -0.256 -3.652
34 HE1 PHE 4 1HE PHE 4 5.875 -1.587 -0.628
35 HE2 PHE 4 2HE PHE 4 2.215 -2.486 -2.603
36 HZ PHE 4 HZ PHE 4 4.035 -3.150 -1.086
37 H ARG 5 HN ARG 5 1.608 3.681 -3.727
38 HA ARG 5 HA ARG 5 -0.212 3.137 -1.510
39 HB2 ARG 5 2HB ARG 5 -0.123 5.433 -2.612
40 HB3 ARG 5 1HB ARG 5 -0.821 4.680 -4.038
41 HG2 ARG 5 2HG ARG 5 -2.805 4.071 -2.777
42 HG3 ARG 5 1HG ARG 5 -2.099 4.746 -1.309
43 HD2 ARG 5 2HD ARG 5 -1.984 6.951 -2.460
44 HD3 ARG 5 1HD ARG 5 -2.855 6.252 -3.815
45 HE ARG 5 HE ARG 5 -3.923 6.386 -1.084
46 HH11 ARG 5 1HH1 ARG 5 -4.448 6.688 -4.597
47 HH12 ARG 5 2HH1 ARG 5 -6.042 7.270 -4.461
48 HH21 ARG 5 1HH2 ARG 5 -6.159 7.216 -0.908
49 HH22 ARG 5 2HH2 ARG 5 -7.021 7.571 -2.321
50 H VAL 6 HN VAL 6 -1.885 1.725 -1.697
51 HA VAL 6 HA VAL 6 -1.943 0.086 -4.142
52 HB VAL 6 HB VAL 6 -2.289 -0.923 -1.306
53 HG11 VAL 6 1HG1 VAL 6 -3.487 -2.248 -2.932
54 HG12 VAL 6 2HG1 VAL 6 -2.119 -3.161 -2.294
55 HG13 VAL 6 3HG1 VAL 6 -2.024 -2.433 -3.899
56 HG21 VAL 6 1HG2 VAL 6 0.118 -1.216 -3.087
57 HG22 VAL 6 2HG2 VAL 6 -0.112 -2.026 -1.539
58 HG23 VAL 6 3HG2 VAL 6 0.026 -0.266 -1.607
59 H CYS 7 HN CYS 7 -3.981 -0.219 -4.876
60 HA CYS 7 HA CYS 7 -6.148 0.430 -3.050
61 HB2 CYS 7 2HB CYS 7 -6.086 0.445 -6.078
62 HB3 CYS 7 1HB CYS 7 -7.523 0.730 -5.102
63 H TYR 8 HN TYR 8 -7.163 -1.181 -2.279
64 HA TYR 8 HA TYR 8 -7.131 -3.756 -3.658
65 HB2 TYR 8 2HB TYR 8 -5.439 -3.568 -1.825
66 HB3 TYR 8 1HB TYR 8 -6.736 -3.162 -0.724
67 HD1 TYR 8 1HD TYR 8 -5.270 -5.835 -2.771
68 HD2 TYR 8 2HD TYR 8 -8.070 -4.878 0.269
69 HE1 TYR 8 1HE TYR 8 -5.473 -8.211 -2.233
70 HE2 TYR 8 2HE TYR 8 -8.295 -7.253 0.827
71 HH TYR 8 HH TYR 8 -7.936 -9.427 -0.222
72 H ARG 9 HN ARG 9 -9.204 -3.955 -4.188
73 HA ARG 9 HA ARG 9 -11.418 -4.283 -4.049
74 HB2 ARG 9 2HB ARG 9 -11.078 -3.989 -1.054
75 HB3 ARG 9 1HB ARG 9 -12.523 -4.594 -1.853
76 HG2 ARG 9 2HG ARG 9 -11.325 -6.518 -2.671
77 HG3 ARG 9 1HG ARG 9 -9.812 -5.888 -2.017
78 HD2 ARG 9 2HD ARG 9 -10.668 -7.571 -0.528
79 HD3 ARG 9 1HD ARG 9 -10.796 -5.995 0.243
80 HE ARG 9 HE ARG 9 -13.096 -7.120 -1.148
81 HH11 ARG 9 1HH1 ARG 9 -11.611 -6.050 1.918
82 HH12 ARG 9 2HH1 ARG 9 -13.070 -6.200 2.791
83 HH21 ARG 9 1HH2 ARG 9 -15.037 -7.331 0.102
84 HH22 ARG 9 2HH2 ARG 9 -15.030 -6.949 1.773
85 H GLY 10 HN GLY 10 -10.095 -1.601 -4.033
86 HA2 GLY 10 2HA GLY 10 -11.109 0.436 -4.633
87 HA3 GLY 10 1HA GLY 10 -12.533 -0.017 -3.706
88 H ILE 11 HN ILE 11 -10.089 -0.871 -1.817
89 HA ILE 11 HA ILE 11 -10.193 1.597 -0.271
90 HB ILE 11 HB ILE 11 -9.143 -1.158 0.459
91 HG12 ILE 11 2HG1 ILE 11 -11.776 0.132 1.216
92 HG13 ILE 11 1HG1 ILE 11 -11.589 -1.138 0.015
93 HG21 ILE 11 1HG2 ILE 11 -8.138 0.669 1.749
94 HG22 ILE 11 2HG2 ILE 11 -9.170 -0.344 2.757
95 HG23 ILE 11 3HG2 ILE 11 -9.746 1.229 2.207
96 HD11 ILE 11 1HD1 ILE 11 -10.799 -2.658 1.751
97 HD12 ILE 11 2HD1 ILE 11 -12.400 -2.017 2.134
98 HD13 ILE 11 3HD1 ILE 11 -10.970 -1.378 2.949
99 H CYS 12 HN CYS 12 -8.504 2.932 -0.675
100 HA CYS 12 HA CYS 12 -6.000 1.677 -1.490
101 HB2 CYS 12 2HB CYS 12 -6.661 4.604 -1.760
102 HB3 CYS 12 1HB CYS 12 -5.351 3.716 -2.486
103 H TYR 13 HN TYR 13 -4.281 1.831 -0.364
104 HA TYR 13 HA TYR 13 -4.060 3.693 1.847
105 HB2 TYR 13 2HB TYR 13 -3.219 1.726 3.278
106 HB3 TYR 13 1HB TYR 13 -4.954 1.874 3.055
107 HD1 TYR 13 1HD TYR 13 -6.182 0.067 2.242
108 HD2 TYR 13 2HD TYR 13 -1.960 0.028 1.742
109 HE1 TYR 13 1HE TYR 13 -6.306 -2.244 1.449
110 HE2 TYR 13 2HE TYR 13 -2.075 -2.294 0.957
111 HH TYR 13 HH TYR 13 -3.497 -4.209 1.032
112 H ARG 14 HN ARG 14 -1.827 3.823 2.624
113 HA ARG 14 HA ARG 14 0.025 3.198 0.444
114 HB2 ARG 14 2HB ARG 14 -0.194 5.573 1.335
115 HB3 ARG 14 1HB ARG 14 0.556 4.984 2.814
116 HG2 ARG 14 2HG ARG 14 2.507 4.240 1.485
117 HG3 ARG 14 1HG ARG 14 1.768 4.958 0.055
118 HD2 ARG 14 2HD ARG 14 3.366 6.510 0.931
119 HD3 ARG 14 1HD ARG 14 1.752 7.139 1.260
120 HE ARG 14 HE ARG 14 2.398 5.691 3.457
121 HH11 ARG 14 1HH1 ARG 14 3.849 8.494 1.779
122 HH12 ARG 14 2HH1 ARG 14 4.570 9.145 3.163
123 HH21 ARG 14 1HH2 ARG 14 3.414 6.614 5.404
124 HH22 ARG 14 2HH2 ARG 14 4.310 8.049 5.275
125 H ARG 15 HN ARG 15 1.500 1.705 0.665
126 HA ARG 15 HA ARG 15 1.964 0.594 3.343
127 HB2 ARG 15 2HB ARG 15 1.835 -0.722 0.660
128 HB3 ARG 15 1HB ARG 15 2.580 -1.534 2.050
129 HG2 ARG 15 2HG ARG 15 -0.251 -0.637 1.666
130 HG3 ARG 15 1HG ARG 15 0.323 -2.289 1.532
131 HD2 ARG 15 2HD ARG 15 -0.740 -2.110 3.651
132 HD3 ARG 15 1HD ARG 15 0.990 -2.151 3.966
133 HE ARG 15 HE ARG 15 0.255 0.528 3.842
134 HH11 ARG 15 1HH1 ARG 15 -0.635 -2.233 5.888
135 HH12 ARG 15 2HH1 ARG 15 -0.891 -1.270 7.266
136 HH21 ARG 15 1HH2 ARG 15 -0.086 1.800 5.716
137 HH22 ARG 15 2HH2 ARG 15 -0.565 1.050 7.174
138 H CYS 16 HN CYS 16 4.028 0.271 3.939
139 HA CYS 16 HA CYS 16 6.050 1.225 2.061
140 HB2 CYS 16 2HB CYS 16 6.004 1.471 5.073
141 HB3 CYS 16 1HB CYS 16 7.320 1.995 4.028
142 H ARG 17 HN ARG 17 7.141 -0.391 1.331
143 HA ARG 17 HA ARG 17 7.580 -2.715 3.048
144 HB2 ARG 17 2HB ARG 17 6.676 -3.090 0.734
145 HB3 ARG 17 1HB ARG 17 8.162 -2.411 0.085
146 HG2 ARG 17 2HG ARG 17 9.446 -4.222 1.055
147 HG3 ARG 17 1HG ARG 17 7.990 -4.869 1.812
148 HD2 ARG 17 2HD ARG 17 7.011 -5.134 -0.461
149 HD3 ARG 17 1HD ARG 17 8.573 -4.669 -1.133
150 HE ARG 17 HE ARG 17 9.411 -6.642 0.274
151 HH11 ARG 17 1HH1 ARG 17 6.315 -6.564 -1.414
152 HH12 ARG 17 2HH1 ARG 17 6.185 -8.246 -1.565
153 HH21 ARG 17 1HH2 ARG 17 9.260 -8.936 0.064
154 HH22 ARG 17 2HH2 ARG 17 7.934 -9.653 -0.741
155 H GLY 18 HN GLY 18 9.171 -2.094 4.361
156 HA2 GLY 18 2HA GLY 18 11.402 -1.829 4.913
157 HA3 GLY 18 1HA GLY 18 11.781 -1.625 3.197
Start of MODEL 20
1 H1 LYS 1 HN LYS 1 12.546 0.861 2.144
2 HA LYS 1 HA LYS 1 10.978 2.948 3.434
3 HB2 LYS 1 2HB LYS 1 12.578 4.611 2.591
4 HB3 LYS 1 1HB LYS 1 13.351 3.403 3.596
5 HG2 LYS 1 2HG LYS 1 14.303 2.344 1.649
6 HG3 LYS 1 1HG LYS 1 13.451 3.477 0.589
7 HD2 LYS 1 2HD LYS 1 14.646 5.342 1.652
8 HD3 LYS 1 1HD LYS 1 15.504 4.198 2.678
9 HE2 LYS 1 2HE LYS 1 15.630 4.270 -0.329
10 HE3 LYS 1 1HE LYS 1 16.830 4.983 0.737
11 HZ1 LYS 1 1HZ LYS 1 17.265 2.758 1.631
12 HZ2 LYS 1 2HZ LYS 1 17.544 2.836 -0.022
13 HZ3 LYS 1 3HZ LYS 1 16.155 2.087 0.551
14 H TRP 2 HN TRP 2 10.496 0.979 1.172
15 HA TRP 2 HA TRP 2 9.720 2.838 -0.920
16 HB2 TRP 2 2HB TRP 2 10.734 0.715 -1.641
17 HB3 TRP 2 1HB TRP 2 9.534 -0.185 -0.734
18 HD1 TRP 2 1HD TRP 2 9.132 2.623 -3.385
19 HE1 TRP 2 1HE TRP 2 7.468 1.788 -5.174
20 HE3 TRP 2 3HE TRP 2 8.309 -2.068 -1.585
21 HZ2 TRP 2 2HZ TRP 2 6.032 -0.563 -5.751
22 HZ3 TRP 2 3HZ TRP 2 6.779 -3.558 -2.816
23 HH2 TRP 2 2HH TRP 2 5.669 -2.812 -4.854
24 H CYS 3 HN CYS 3 7.925 3.882 -0.555
25 HA CYS 3 HA CYS 3 5.731 2.511 0.829
26 HB2 CYS 3 2HB CYS 3 6.335 5.466 0.637
27 HB3 CYS 3 1HB CYS 3 4.920 4.774 1.422
28 H PHE 4 HN PHE 4 4.077 2.047 -0.360
29 HA PHE 4 HA PHE 4 3.738 3.465 -2.888
30 HB2 PHE 4 2HB PHE 4 3.326 1.302 -4.015
31 HB3 PHE 4 1HB PHE 4 4.966 1.465 -3.413
32 HD1 PHE 4 1HD PHE 4 5.405 0.347 -1.059
33 HD2 PHE 4 2HD PHE 4 2.155 -0.641 -3.622
34 HE1 PHE 4 1HE PHE 4 5.211 -1.825 0.043
35 HE2 PHE 4 2HE PHE 4 1.951 -2.823 -2.515
36 HZ PHE 4 HZ PHE 4 3.466 -3.428 -0.688
37 H ARG 5 HN ARG 5 1.691 3.118 -3.894
38 HA ARG 5 HA ARG 5 -0.482 3.299 -1.983
39 HB2 ARG 5 2HB ARG 5 -0.392 4.964 -3.735
40 HB3 ARG 5 1HB ARG 5 -0.270 3.723 -4.969
41 HG2 ARG 5 2HG ARG 5 -2.559 2.998 -4.436
42 HG3 ARG 5 1HG ARG 5 -2.674 4.291 -3.243
43 HD2 ARG 5 2HD ARG 5 -2.373 5.956 -4.971
44 HD3 ARG 5 1HD ARG 5 -2.127 4.689 -6.175
45 HE ARG 5 HE ARG 5 -4.585 4.254 -4.957
46 HH11 ARG 5 1HH1 ARG 5 -3.142 6.633 -7.152
47 HH12 ARG 5 2HH1 ARG 5 -4.631 7.064 -7.863
48 HH21 ARG 5 1HH2 ARG 5 -6.617 4.836 -5.989
49 HH22 ARG 5 2HH2 ARG 5 -6.628 6.008 -7.199
50 H VAL 6 HN VAL 6 -1.845 1.632 -1.593
51 HA VAL 6 HA VAL 6 -1.846 -0.596 -3.509
52 HB VAL 6 HB VAL 6 -2.391 -0.882 -0.558
53 HG11 VAL 6 1HG1 VAL 6 -1.980 -3.257 -0.966
54 HG12 VAL 6 2HG1 VAL 6 -1.710 -2.908 -2.672
55 HG13 VAL 6 3HG1 VAL 6 -3.295 -2.619 -1.954
56 HG21 VAL 6 1HG2 VAL 6 0.255 -1.367 -1.925
57 HG22 VAL 6 2HG2 VAL 6 -0.136 -1.815 -0.265
58 HG23 VAL 6 3HG2 VAL 6 -0.090 -0.117 -0.731
59 H CYS 7 HN CYS 7 -3.798 -0.625 -4.439
60 HA CYS 7 HA CYS 7 -6.051 0.189 -2.779
61 HB2 CYS 7 2HB CYS 7 -5.845 0.165 -5.796
62 HB3 CYS 7 1HB CYS 7 -7.262 0.650 -4.867
63 H TYR 8 HN TYR 8 -7.310 -1.267 -2.140
64 HA TYR 8 HA TYR 8 -7.310 -3.889 -3.464
65 HB2 TYR 8 2HB TYR 8 -6.084 -3.569 -1.210
66 HB3 TYR 8 1HB TYR 8 -7.683 -3.358 -0.521
67 HD1 TYR 8 1HD TYR 8 -5.271 -5.691 -1.893
68 HD2 TYR 8 2HD TYR 8 -9.223 -5.288 -0.384
69 HE1 TYR 8 1HE TYR 8 -5.380 -8.103 -1.593
70 HE2 TYR 8 2HE TYR 8 -9.354 -7.716 -0.081
71 HH TYR 8 HH TYR 8 -8.258 -9.754 -0.994
72 H ARG 9 HN ARG 9 -9.210 -3.710 -4.526
73 HA ARG 9 HA ARG 9 -11.398 -3.679 -4.966
74 HB2 ARG 9 2HB ARG 9 -11.731 -3.909 -1.968
75 HB3 ARG 9 1HB ARG 9 -13.052 -4.043 -3.117
76 HG2 ARG 9 2HG ARG 9 -11.960 -6.006 -4.113
77 HG3 ARG 9 1HG ARG 9 -10.669 -5.869 -2.915
78 HD2 ARG 9 2HD ARG 9 -12.277 -7.537 -2.202
79 HD3 ARG 9 1HD ARG 9 -12.323 -6.137 -1.129
80 HE ARG 9 HE ARG 9 -14.230 -6.119 -3.286
81 HH11 ARG 9 1HH1 ARG 9 -13.686 -6.950 0.129
82 HH12 ARG 9 2HH1 ARG 9 -15.352 -7.016 0.499
83 HH21 ARG 9 1HH2 ARG 9 -16.506 -6.192 -2.720
84 HH22 ARG 9 2HH2 ARG 9 -16.984 -6.573 -1.137
85 H GLY 10 HN GLY 10 -9.913 -1.204 -4.362
86 HA2 GLY 10 2HA GLY 10 -10.849 0.936 -4.968
87 HA3 GLY 10 1HA GLY 10 -12.259 0.531 -3.998
88 H ILE 11 HN ILE 11 -10.327 -0.621 -1.971
89 HA ILE 11 HA ILE 11 -10.117 1.788 -0.388
90 HB ILE 11 HB ILE 11 -9.178 -1.014 0.277
91 HG12 ILE 11 2HG1 ILE 11 -11.852 0.268 0.885
92 HG13 ILE 11 1HG1 ILE 11 -11.575 -0.994 -0.305
93 HG21 ILE 11 1HG2 ILE 11 -8.245 0.741 1.703
94 HG22 ILE 11 2HG2 ILE 11 -9.374 -0.269 2.607
95 HG23 ILE 11 3HG2 ILE 11 -9.870 1.330 2.054
96 HD11 ILE 11 1HD1 ILE 11 -11.150 -1.249 2.655
97 HD12 ILE 11 2HD1 ILE 11 -10.920 -2.527 1.460
98 HD13 ILE 11 3HD1 ILE 11 -12.532 -1.868 1.755
99 H CYS 12 HN CYS 12 -8.356 3.056 -0.706
100 HA CYS 12 HA CYS 12 -5.879 1.696 -1.443
101 HB2 CYS 12 2HB CYS 12 -6.500 4.626 -1.735
102 HB3 CYS 12 1HB CYS 12 -5.084 3.784 -2.312
103 H TYR 13 HN TYR 13 -4.462 1.485 -0.048
104 HA TYR 13 HA TYR 13 -4.172 3.434 2.099
105 HB2 TYR 13 2HB TYR 13 -3.427 1.461 3.566
106 HB3 TYR 13 1HB TYR 13 -5.148 1.589 3.247
107 HD1 TYR 13 1HD TYR 13 -6.288 -0.092 1.955
108 HD2 TYR 13 2HD TYR 13 -2.083 -0.327 2.524
109 HE1 TYR 13 1HE TYR 13 -6.323 -2.390 1.139
110 HE2 TYR 13 2HE TYR 13 -2.094 -2.617 1.722
111 HH TYR 13 HH TYR 13 -4.702 -3.976 0.081
112 H ARG 14 HN ARG 14 -2.001 3.660 2.857
113 HA ARG 14 HA ARG 14 -0.132 3.116 0.672
114 HB2 ARG 14 2HB ARG 14 -0.557 5.488 1.415
115 HB3 ARG 14 1HB ARG 14 0.156 5.064 2.959
116 HG2 ARG 14 2HG ARG 14 2.273 4.535 1.847
117 HG3 ARG 14 1HG ARG 14 1.562 4.976 0.295
118 HD2 ARG 14 2HD ARG 14 1.986 6.785 2.670
119 HD3 ARG 14 1HD ARG 14 2.876 6.825 1.150
120 HE ARG 14 HE ARG 14 0.058 7.141 0.814
121 HH11 ARG 14 1HH1 ARG 14 3.069 8.941 1.386
122 HH12 ARG 14 2HH1 ARG 14 2.372 10.453 0.994
123 HH21 ARG 14 1HH2 ARG 14 -0.857 9.221 0.342
124 HH22 ARG 14 2HH2 ARG 14 0.131 10.603 0.399
125 H ARG 15 HN ARG 15 1.427 1.688 1.010
126 HA ARG 15 HA ARG 15 1.979 0.922 3.791
127 HB2 ARG 15 2HB ARG 15 1.741 -0.816 1.356
128 HB3 ARG 15 1HB ARG 15 2.505 -1.396 2.855
129 HG2 ARG 15 2HG ARG 15 -0.286 -0.560 2.270
130 HG3 ARG 15 1HG ARG 15 0.269 -2.178 2.697
131 HD2 ARG 15 2HD ARG 15 0.185 0.257 4.494
132 HD3 ARG 15 1HD ARG 15 -0.809 -1.187 4.622
133 HE ARG 15 HE ARG 15 1.770 -2.080 4.765
134 HH11 ARG 15 1HH1 ARG 15 -0.182 0.179 6.625
135 HH12 ARG 15 2HH1 ARG 15 0.597 -0.132 8.110
136 HH21 ARG 15 1HH2 ARG 15 2.864 -2.502 6.742
137 HH22 ARG 15 2HH2 ARG 15 2.395 -1.705 8.178
138 H CYS 16 HN CYS 16 4.124 0.198 4.255
139 HA CYS 16 HA CYS 16 6.058 1.175 2.307
140 HB2 CYS 16 2HB CYS 16 6.145 1.630 5.297
141 HB3 CYS 16 1HB CYS 16 7.427 2.035 4.170
142 H ARG 17 HN ARG 17 7.221 -0.347 1.669
143 HA ARG 17 HA ARG 17 7.917 -2.596 3.424
144 HB2 ARG 17 2HB ARG 17 6.694 -3.106 1.300
145 HB3 ARG 17 1HB ARG 17 7.984 -2.323 0.410
146 HG2 ARG 17 2HG ARG 17 9.539 -4.023 1.131
147 HG3 ARG 17 1HG ARG 17 8.271 -4.808 2.084
148 HD2 ARG 17 2HD ARG 17 6.970 -5.107 0.002
149 HD3 ARG 17 1HD ARG 17 8.312 -4.410 -0.904
150 HE ARG 17 HE ARG 17 9.412 -6.447 0.526
151 HH11 ARG 17 1HH1 ARG 17 6.755 -6.273 -1.838
152 HH12 ARG 17 2HH1 ARG 17 7.022 -7.840 -2.425
153 HH21 ARG 17 1HH2 ARG 17 9.754 -8.538 -0.278
154 HH22 ARG 17 2HH2 ARG 17 8.804 -9.188 -1.527
155 H GLY 18 HN GLY 18 9.765 -1.862 4.414
156 HA2 GLY 18 2HA GLY 18 11.977 -1.201 4.585
157 HA3 GLY 18 1HA GLY 18 12.077 -1.178 2.816