Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
553345 | 2lye RC | 18722 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -11.552 -2.467 1.114
2 HA2 GLY 1 2HA GLY 1 -11.554 -4.720 0.504
3 HA3 GLY 1 1HA GLY 1 -12.675 -4.344 -0.795
4 H VAL 2 H VAL 2 -10.610 -2.052 -1.378
5 HA VAL 2 HA VAL 2 -9.045 -3.665 -3.232
6 HB VAL 2 HB VAL 2 -9.398 -0.652 -3.057
7 HG11 VAL 2 1HG1 VAL 2 -8.148 -2.330 -5.230
8 HG12 VAL 2 2HG1 VAL 2 -7.289 -1.269 -4.114
9 HG13 VAL 2 3HG1 VAL 2 -8.404 -0.587 -5.298
10 HG21 VAL 2 3HG2 VAL 2 -10.670 -2.635 -4.944
11 HG22 VAL 2 1HG2 VAL 2 -10.833 -0.882 -5.036
12 HG23 VAL 2 2HG2 VAL 2 -11.490 -1.757 -3.650
13 H CYS 3 H CYS 3 -7.044 -4.191 -2.600
14 HA CYS 3 HA CYS 3 -5.766 -2.403 -0.685
15 HB2 CYS 3 2HB CYS 3 -5.167 -5.319 -1.208
16 HB3 CYS 3 1HB CYS 3 -4.327 -4.300 -0.050
17 H ARG 4 H ARG 4 -4.222 -1.232 -1.333
18 HA ARG 4 HA ARG 4 -2.812 -1.958 -3.818
19 HB2 ARG 4 2HB ARG 4 -2.154 0.418 -3.989
20 HB3 ARG 4 1HB ARG 4 -3.902 0.244 -3.968
21 HG2 ARG 4 2HG ARG 4 -4.037 1.046 -1.732
22 HG3 ARG 4 1HG ARG 4 -2.289 0.945 -1.523
23 HD2 ARG 4 2HD ARG 4 -2.969 3.255 -1.861
24 HD3 ARG 4 1HD ARG 4 -1.989 2.694 -3.210
25 HE ARG 4 HE ARG 4 -4.869 2.541 -3.509
26 HH11 ARG 4 1HH1 ARG 4 -1.884 4.348 -4.237
27 HH12 ARG 4 2HH1 ARG 4 -2.592 5.261 -5.483
28 HH21 ARG 4 1HH2 ARG 4 -5.814 3.824 -5.228
29 HH22 ARG 4 2HH2 ARG 4 -4.867 4.965 -6.063
30 H CYS 5 H CYS 5 -0.598 -2.224 -3.744
31 HA CYS 5 HA CYS 5 0.599 -1.687 -1.132
32 HB2 CYS 5 2HB CYS 5 1.374 -3.865 -3.019
33 HB3 CYS 5 1HB CYS 5 2.136 -3.510 -1.489
34 H VAL 6 H VAL 6 2.125 -0.474 -1.072
35 HA VAL 6 HA VAL 6 3.450 0.459 -3.530
36 HB VAL 6 HB VAL 6 3.384 1.760 -0.781
37 HG11 VAL 6 1HG1 VAL 6 5.394 2.343 -2.005
38 HG12 VAL 6 2HG1 VAL 6 4.319 3.739 -1.910
39 HG13 VAL 6 3HG1 VAL 6 4.434 2.808 -3.406
40 HG21 VAL 6 3HG2 VAL 6 1.867 2.512 -3.284
41 HG22 VAL 6 1HG2 VAL 6 1.887 3.435 -1.780
42 HG23 VAL 6 2HG2 VAL 6 1.172 1.820 -1.822
43 H CYS 7 H CYS 7 5.384 -0.446 -3.832
44 HA CYS 7 HA CYS 7 6.725 -1.444 -1.452
45 HB2 CYS 7 2HB CYS 7 7.141 -2.321 -4.309
46 HB3 CYS 7 1HB CYS 7 7.962 -2.932 -2.871
47 H ARG 8 H ARG 8 8.480 -0.713 -0.817
48 HA ARG 8 HA ARG 8 10.223 0.796 -2.581
49 HB2 ARG 8 2HB ARG 8 10.400 2.672 -0.997
50 HB3 ARG 8 1HB ARG 8 8.780 2.547 -1.661
51 HG2 ARG 8 2HG ARG 8 7.994 1.530 0.415
52 HG3 ARG 8 1HG ARG 8 9.648 1.546 1.036
53 HD2 ARG 8 2HD ARG 8 8.275 3.382 1.945
54 HD3 ARG 8 1HD ARG 8 9.671 3.957 1.043
55 HE ARG 8 HE ARG 8 7.937 4.179 -0.852
56 HH11 ARG 8 1HH1 ARG 8 7.194 4.770 2.569
57 HH12 ARG 8 2HH1 ARG 8 6.121 6.044 2.239
58 HH21 ARG 8 1HH2 ARG 8 6.439 5.905 -1.274
59 HH22 ARG 8 2HH2 ARG 8 5.700 6.718 0.014
60 H ARG 9 H ARG 9 12.197 0.088 -2.244
61 HA ARG 9 HA ARG 9 14.097 -0.624 -1.257
62 HB2 ARG 9 2HB ARG 9 13.767 1.322 0.193
63 HB3 ARG 9 1HB ARG 9 12.711 0.405 1.240
64 HG2 ARG 9 2HG ARG 9 14.915 0.745 2.246
65 HG3 ARG 9 1HG ARG 9 14.628 -0.968 1.932
66 HD2 ARG 9 2HD ARG 9 15.978 -0.842 -0.071
67 HD3 ARG 9 1HD ARG 9 16.223 0.887 0.173
68 HE ARG 9 HE ARG 9 17.017 -0.865 2.327
69 HH11 ARG 9 1HH1 ARG 9 18.059 0.905 -0.535
70 HH12 ARG 9 2HH1 ARG 9 19.688 1.046 -0.062
71 HH21 ARG 9 1HH2 ARG 9 19.238 -0.684 3.006
72 HH22 ARG 9 2HH2 ARG 9 20.373 0.129 2.022
73 H GLY 10 H GLY 10 11.827 -2.373 -1.653
74 HA2 GLY 10 2HA GLY 10 11.559 -4.689 -1.417
75 HA3 GLY 10 1HA GLY 10 12.734 -4.659 -0.114
76 H VAL 11 H VAL 11 10.747 -2.307 0.778
77 HA VAL 11 HA VAL 11 9.152 -4.065 2.475
78 HB VAL 11 HB VAL 11 9.613 -1.066 2.639
79 HG11 VAL 11 1HG1 VAL 11 7.528 -1.733 3.692
80 HG12 VAL 11 2HG1 VAL 11 8.705 -1.237 4.908
81 HG13 VAL 11 3HG1 VAL 11 8.378 -2.948 4.641
82 HG21 VAL 11 3HG2 VAL 11 11.690 -2.274 3.023
83 HG22 VAL 11 1HG2 VAL 11 10.900 -3.282 4.236
84 HG23 VAL 11 2HG2 VAL 11 11.109 -1.552 4.522
85 H CYS 12 H CYS 12 7.022 -4.312 1.978
86 HA CYS 12 HA CYS 12 5.937 -2.354 0.117
87 HB2 CYS 12 2HB CYS 12 5.061 -5.202 0.603
88 HB3 CYS 12 1HB CYS 12 4.252 -4.078 -0.488
89 H ARG 13 H ARG 13 4.555 -1.005 0.823
90 HA ARG 13 HA ARG 13 3.223 -1.465 3.384
91 HB2 ARG 13 2HB ARG 13 3.421 1.093 1.770
92 HB3 ARG 13 1HB ARG 13 2.875 0.932 3.433
93 HG2 ARG 13 2HG ARG 13 5.676 0.463 2.428
94 HG3 ARG 13 1HG ARG 13 5.111 1.857 3.348
95 HD2 ARG 13 2HD ARG 13 5.053 -0.990 4.348
96 HD3 ARG 13 1HD ARG 13 6.335 0.151 4.711
97 HE ARG 13 HE ARG 13 4.030 1.409 5.463
98 HH11 ARG 13 1HH1 ARG 13 5.564 -1.653 6.343
99 HH12 ARG 13 2HH1 ARG 13 4.988 -1.632 7.942
100 HH21 ARG 13 1HH2 ARG 13 3.275 1.445 7.611
101 HH22 ARG 13 2HH2 ARG 13 3.635 0.180 8.702
102 H CYS 14 H CYS 14 1.327 -2.369 3.126
103 HA CYS 14 HA CYS 14 -0.164 -1.764 0.710
104 HB2 CYS 14 2HB CYS 14 -0.607 -3.962 2.696
105 HB3 CYS 14 1HB CYS 14 -1.472 -3.733 1.190
106 H VAL 15 H VAL 15 -1.962 -0.862 0.714
107 HA VAL 15 HA VAL 15 -3.153 0.060 3.238
108 HB VAL 15 HB VAL 15 -3.003 1.571 0.606
109 HG11 VAL 15 1HG1 VAL 15 -5.029 2.058 1.867
110 HG12 VAL 15 2HG1 VAL 15 -3.939 3.445 1.828
111 HG13 VAL 15 3HG1 VAL 15 -4.050 2.456 3.285
112 HG21 VAL 15 3HG2 VAL 15 -1.508 3.139 1.774
113 HG22 VAL 15 1HG2 VAL 15 -0.814 1.519 1.688
114 HG23 VAL 15 2HG2 VAL 15 -1.528 2.093 3.194
115 H CYS 16 H CYS 16 -5.087 -0.896 3.416
116 HA CYS 16 HA CYS 16 -6.445 -1.607 0.972
117 HB2 CYS 16 2HB CYS 16 -6.980 -2.495 3.813
118 HB3 CYS 16 1HB CYS 16 -7.928 -2.974 2.406
119 H ARG 17 H ARG 17 -8.243 -0.780 0.337
120 HA ARG 17 HA ARG 17 -9.728 1.051 2.027
121 HB2 ARG 17 2HB ARG 17 -8.095 2.465 0.940
122 HB3 ARG 17 1HB ARG 17 -8.445 1.744 -0.618
123 HG2 ARG 17 2HG ARG 17 -9.423 3.937 -0.484
124 HG3 ARG 17 1HG ARG 17 -10.692 2.716 -0.544
125 HD2 ARG 17 2HD ARG 17 -10.973 2.919 1.894
126 HD3 ARG 17 1HD ARG 17 -9.710 4.154 1.928
127 HE ARG 17 HE ARG 17 -11.741 4.755 0.065
128 HH11 ARG 17 1HH1 ARG 17 -11.050 4.943 3.557
129 HH12 ARG 17 2HH1 ARG 17 -12.093 6.250 3.816
130 HH21 ARG 17 1HH2 ARG 17 -13.181 6.540 0.470
131 HH22 ARG 17 2HH2 ARG 17 -13.352 7.172 2.033
132 H ARG 18 H ARG 18 -11.633 0.117 1.951
133 HA ARG 18 HA ARG 18 -13.614 -0.665 1.266
134 HB2 ARG 18 2HB ARG 18 -13.544 1.543 0.048
135 HB3 ARG 18 1HB ARG 18 -12.969 0.683 -1.368
136 HG2 ARG 18 2HG ARG 18 -15.053 -0.624 -1.395
137 HG3 ARG 18 1HG ARG 18 -15.621 0.300 -0.005
138 HD2 ARG 18 2HD ARG 18 -15.525 2.343 -1.310
139 HD3 ARG 18 1HD ARG 18 -14.902 1.444 -2.694
140 HE ARG 18 HE ARG 18 -17.371 0.471 -1.630
141 HH11 ARG 18 1HH1 ARG 18 -15.913 2.714 -3.931
142 HH12 ARG 18 2HH1 ARG 18 -17.270 2.765 -4.969
143 HH21 ARG 18 1HH2 ARG 18 -19.237 0.529 -3.043
144 HH22 ARG 18 2HH2 ARG 18 -19.208 1.504 -4.437
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -11.263 -2.820 1.350
2 HA2 GLY 1 2HA GLY 1 -11.265 -5.024 0.560
3 HA3 GLY 1 1HA GLY 1 -12.602 -4.615 -0.501
4 H VAL 2 H VAL 2 -10.905 -2.171 -1.362
5 HA VAL 2 HA VAL 2 -9.487 -3.678 -3.416
6 HB VAL 2 HB VAL 2 -9.975 -0.685 -3.274
7 HG11 VAL 2 1HG1 VAL 2 -9.428 -0.717 -5.680
8 HG12 VAL 2 2HG1 VAL 2 -9.069 -2.439 -5.562
9 HG13 VAL 2 3HG1 VAL 2 -8.083 -1.273 -4.683
10 HG21 VAL 2 3HG2 VAL 2 -11.752 -1.052 -4.935
11 HG22 VAL 2 1HG2 VAL 2 -12.099 -1.874 -3.415
12 HG23 VAL 2 2HG2 VAL 2 -11.508 -2.792 -4.804
13 H CYS 3 H CYS 3 -7.479 -4.173 -2.946
14 HA CYS 3 HA CYS 3 -5.970 -2.395 -1.208
15 HB2 CYS 3 2HB CYS 3 -5.554 -5.306 -1.864
16 HB3 CYS 3 1HB CYS 3 -4.480 -4.348 -0.846
17 H ARG 4 H ARG 4 -4.100 -1.551 -1.750
18 HA ARG 4 HA ARG 4 -2.880 -2.300 -4.301
19 HB2 ARG 4 2HB ARG 4 -2.235 0.107 -4.608
20 HB3 ARG 4 1HB ARG 4 -3.957 -0.198 -4.764
21 HG2 ARG 4 2HG ARG 4 -4.384 0.708 -2.598
22 HG3 ARG 4 1HG ARG 4 -2.658 0.804 -2.254
23 HD2 ARG 4 2HD ARG 4 -2.368 2.499 -3.923
24 HD3 ARG 4 1HD ARG 4 -4.049 2.323 -4.442
25 HE ARG 4 HE ARG 4 -4.569 2.983 -2.072
26 HH11 ARG 4 1HH1 ARG 4 -1.794 4.319 -3.851
27 HH12 ARG 4 2HH1 ARG 4 -1.786 5.773 -2.992
28 HH21 ARG 4 1HH2 ARG 4 -4.564 4.978 -0.917
29 HH22 ARG 4 2HH2 ARG 4 -3.392 6.165 -1.265
30 H CYS 5 H CYS 5 -0.792 -2.827 -4.055
31 HA CYS 5 HA CYS 5 0.462 -2.080 -1.542
32 HB2 CYS 5 2HB CYS 5 1.259 -4.227 -3.500
33 HB3 CYS 5 1HB CYS 5 2.050 -3.892 -1.971
34 H VAL 6 H VAL 6 2.356 -1.132 -1.392
35 HA VAL 6 HA VAL 6 3.642 -0.164 -3.848
36 HB VAL 6 HB VAL 6 3.230 1.451 -1.300
37 HG11 VAL 6 1HG1 VAL 6 4.176 3.333 -2.560
38 HG12 VAL 6 2HG1 VAL 6 4.462 2.262 -3.931
39 HG13 VAL 6 3HG1 VAL 6 5.318 1.994 -2.413
40 HG21 VAL 6 3HG2 VAL 6 1.920 1.824 -3.999
41 HG22 VAL 6 1HG2 VAL 6 1.758 2.912 -2.622
42 HG23 VAL 6 2HG2 VAL 6 1.123 1.268 -2.531
43 H CYS 7 H CYS 7 5.765 -0.737 -3.828
44 HA CYS 7 HA CYS 7 6.878 -1.511 -1.249
45 HB2 CYS 7 2HB CYS 7 7.654 -2.377 -4.027
46 HB3 CYS 7 1HB CYS 7 8.516 -2.822 -2.555
47 H ARG 8 H ARG 8 8.633 -0.626 -0.464
48 HA ARG 8 HA ARG 8 10.245 1.048 -2.187
49 HB2 ARG 8 2HB ARG 8 8.733 2.618 -1.148
50 HB3 ARG 8 1HB ARG 8 9.056 1.941 0.441
51 HG2 ARG 8 2HG ARG 8 11.314 2.760 0.392
52 HG3 ARG 8 1HG ARG 8 11.124 3.303 -1.273
53 HD2 ARG 8 2HD ARG 8 10.937 5.143 0.354
54 HD3 ARG 8 1HD ARG 8 9.480 4.924 -0.609
55 HE ARG 8 HE ARG 8 9.453 3.555 1.908
56 HH11 ARG 8 1HH1 ARG 8 8.860 6.635 0.335
57 HH12 ARG 8 2HH1 ARG 8 7.592 7.103 1.375
58 HH21 ARG 8 1HH2 ARG 8 7.767 4.186 3.380
59 HH22 ARG 8 2HH2 ARG 8 6.960 5.666 3.168
60 H ARG 9 H ARG 9 12.043 0.085 -2.148
61 HA ARG 9 HA ARG 9 13.896 -1.014 -1.582
62 HB2 ARG 9 2HB ARG 9 14.321 1.326 -0.795
63 HB3 ARG 9 1HB ARG 9 13.896 0.808 0.832
64 HG2 ARG 9 2HG ARG 9 15.733 -0.787 0.815
65 HG3 ARG 9 1HG ARG 9 16.137 -0.313 -0.831
66 HD2 ARG 9 2HD ARG 9 16.570 1.984 -0.002
67 HD3 ARG 9 1HD ARG 9 16.278 1.411 1.638
68 HE ARG 9 HE ARG 9 18.338 0.113 0.015
69 HH11 ARG 9 1HH1 ARG 9 17.560 2.086 2.852
70 HH12 ARG 9 2HH1 ARG 9 19.138 2.008 3.489
71 HH21 ARG 9 1HH2 ARG 9 20.481 0.040 0.909
72 HH22 ARG 9 2HH2 ARG 9 20.816 0.833 2.389
73 H GLY 10 H GLY 10 12.047 -2.690 -1.083
74 HA2 GLY 10 2HA GLY 10 12.189 -4.834 -0.119
75 HA3 GLY 10 1HA GLY 10 13.146 -4.162 1.178
76 H VAL 11 H VAL 11 10.966 -1.973 1.383
77 HA VAL 11 HA VAL 11 9.276 -3.566 3.156
78 HB VAL 11 HB VAL 11 9.641 -0.553 3.072
79 HG11 VAL 11 1HG1 VAL 11 7.494 -1.240 4.027
80 HG12 VAL 11 2HG1 VAL 11 8.549 -0.553 5.259
81 HG13 VAL 11 3HG1 VAL 11 8.338 -2.301 5.157
82 HG21 VAL 11 3HG2 VAL 11 11.718 -1.671 3.717
83 HG22 VAL 11 1HG2 VAL 11 10.854 -2.573 4.962
84 HG23 VAL 11 2HG2 VAL 11 11.010 -0.817 5.090
85 H CYS 12 H CYS 12 7.363 -4.125 2.347
86 HA CYS 12 HA CYS 12 6.158 -2.364 0.362
87 HB2 CYS 12 2HB CYS 12 5.678 -5.295 0.861
88 HB3 CYS 12 1HB CYS 12 4.846 -4.329 -0.353
89 H ARG 13 H ARG 13 4.504 -1.280 0.876
90 HA ARG 13 HA ARG 13 2.996 -1.977 3.300
91 HB2 ARG 13 2HB ARG 13 4.222 0.174 3.370
92 HB3 ARG 13 1HB ARG 13 3.380 0.686 1.919
93 HG2 ARG 13 2HG ARG 13 2.319 1.781 3.694
94 HG3 ARG 13 1HG ARG 13 1.236 0.474 3.241
95 HD2 ARG 13 2HD ARG 13 3.173 0.427 5.565
96 HD3 ARG 13 1HD ARG 13 1.457 0.769 5.696
97 HE ARG 13 HE ARG 13 2.688 -1.831 5.078
98 HH11 ARG 13 1HH1 ARG 13 -0.247 0.024 5.945
99 HH12 ARG 13 2HH1 ARG 13 -1.084 -1.346 6.452
100 HH21 ARG 13 1HH2 ARG 13 1.470 -3.689 5.739
101 HH22 ARG 13 2HH2 ARG 13 -0.126 -3.490 6.321
102 H CYS 14 H CYS 14 1.014 -2.761 2.831
103 HA CYS 14 HA CYS 14 -0.155 -1.976 0.288
104 HB2 CYS 14 2HB CYS 14 -1.013 -4.202 2.085
105 HB3 CYS 14 1HB CYS 14 -1.634 -3.861 0.485
106 H VAL 15 H VAL 15 -1.708 -0.823 0.140
107 HA VAL 15 HA VAL 15 -3.023 0.229 2.544
108 HB VAL 15 HB VAL 15 -2.907 1.421 -0.244
109 HG11 VAL 15 1HG1 VAL 15 -4.831 2.171 0.999
110 HG12 VAL 15 2HG1 VAL 15 -3.664 3.488 0.844
111 HG13 VAL 15 3HG1 VAL 15 -3.808 2.615 2.368
112 HG21 VAL 15 3HG2 VAL 15 -1.284 3.044 0.663
113 HG22 VAL 15 1HG2 VAL 15 -0.662 1.392 0.689
114 HG23 VAL 15 2HG2 VAL 15 -1.247 2.139 2.174
115 H CYS 16 H CYS 16 -4.963 -0.642 2.817
116 HA CYS 16 HA CYS 16 -6.430 -1.490 0.454
117 HB2 CYS 16 2HB CYS 16 -6.683 -2.444 3.306
118 HB3 CYS 16 1HB CYS 16 -7.728 -2.924 1.973
119 H ARG 17 H ARG 17 -8.321 -0.689 -0.002
120 HA ARG 17 HA ARG 17 -9.689 0.881 2.028
121 HB2 ARG 17 2HB ARG 17 -8.437 2.483 0.640
122 HB3 ARG 17 1HB ARG 17 -9.210 1.823 -0.792
123 HG2 ARG 17 2HG ARG 17 -11.387 2.536 0.046
124 HG3 ARG 17 1HG ARG 17 -10.606 3.222 1.469
125 HD2 ARG 17 2HD ARG 17 -11.052 4.945 -0.182
126 HD3 ARG 17 1HD ARG 17 -9.317 4.723 0.031
127 HE ARG 17 HE ARG 17 -10.379 3.146 -2.084
128 HH11 ARG 17 1HH1 ARG 17 -9.223 6.374 -1.281
129 HH12 ARG 17 2HH1 ARG 17 -8.811 6.785 -2.876
130 HH21 ARG 17 1HH2 ARG 17 -9.778 3.704 -4.296
131 HH22 ARG 17 2HH2 ARG 17 -9.137 5.245 -4.627
132 H ARG 18 H ARG 18 -11.372 -0.240 2.315
133 HA ARG 18 HA ARG 18 -13.309 -1.306 2.096
134 HB2 ARG 18 2HB ARG 18 -13.835 0.973 1.129
135 HB3 ARG 18 1HB ARG 18 -13.626 0.274 -0.461
136 HG2 ARG 18 2HG ARG 18 -15.497 -1.213 -0.108
137 HG3 ARG 18 1HG ARG 18 -15.660 -0.657 1.558
138 HD2 ARG 18 2HD ARG 18 -16.027 1.027 -0.919
139 HD3 ARG 18 1HD ARG 18 -17.307 0.410 0.124
140 HE ARG 18 HE ARG 18 -15.406 1.945 1.580
141 HH11 ARG 18 1HH1 ARG 18 -18.229 2.294 -0.517
142 HH12 ARG 18 2HH1 ARG 18 -18.625 3.851 0.053
143 HH21 ARG 18 1HH2 ARG 18 -15.969 4.046 2.380
144 HH22 ARG 18 2HH2 ARG 18 -17.323 4.860 1.757
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -12.251 -1.455 0.682
2 HA2 GLY 1 2HA GLY 1 -13.039 -3.495 -0.125
3 HA3 GLY 1 1HA GLY 1 -13.757 -2.657 -1.491
4 H VAL 2 H VAL 2 -10.992 -1.259 -1.752
5 HA VAL 2 HA VAL 2 -9.911 -3.403 -3.430
6 HB VAL 2 HB VAL 2 -9.340 -0.423 -3.504
7 HG11 VAL 2 1HG1 VAL 2 -7.451 -1.714 -4.332
8 HG12 VAL 2 2HG1 VAL 2 -8.252 -0.882 -5.662
9 HG13 VAL 2 3HG1 VAL 2 -8.514 -2.609 -5.417
10 HG21 VAL 2 3HG2 VAL 2 -11.622 -0.913 -4.188
11 HG22 VAL 2 1HG2 VAL 2 -11.038 -2.109 -5.341
12 HG23 VAL 2 2HG2 VAL 2 -10.654 -0.408 -5.580
13 H CYS 3 H CYS 3 -8.059 -4.355 -2.802
14 HA CYS 3 HA CYS 3 -6.641 -3.054 -0.645
15 HB2 CYS 3 2HB CYS 3 -6.424 -5.892 -1.659
16 HB3 CYS 3 1HB CYS 3 -5.483 -5.223 -0.324
17 H ARG 4 H ARG 4 -4.889 -2.020 -0.891
18 HA ARG 4 HA ARG 4 -3.610 -2.200 -3.514
19 HB2 ARG 4 2HB ARG 4 -4.961 -0.170 -3.237
20 HB3 ARG 4 1HB ARG 4 -4.090 0.219 -1.771
21 HG2 ARG 4 2HG ARG 4 -3.363 1.587 -3.658
22 HG3 ARG 4 1HG ARG 4 -2.054 0.578 -3.046
23 HD2 ARG 4 2HD ARG 4 -2.298 -0.952 -4.859
24 HD3 ARG 4 1HD ARG 4 -3.767 -0.149 -5.415
25 HE ARG 4 HE ARG 4 -2.292 1.831 -5.759
26 HH11 ARG 4 1HH1 ARG 4 -0.985 -1.459 -6.044
27 HH12 ARG 4 2HH1 ARG 4 0.178 -1.032 -7.209
28 HH21 ARG 4 1HH2 ARG 4 -0.622 2.395 -7.338
29 HH22 ARG 4 2HH2 ARG 4 0.385 1.176 -7.960
30 H CYS 5 H CYS 5 -1.558 -2.736 -3.437
31 HA CYS 5 HA CYS 5 -0.126 -2.505 -0.909
32 HB2 CYS 5 2HB CYS 5 0.649 -4.013 -3.390
33 HB3 CYS 5 1HB CYS 5 1.402 -4.114 -1.811
34 H VAL 6 H VAL 6 1.583 -1.347 -0.702
35 HA VAL 6 HA VAL 6 2.566 0.089 -3.032
36 HB VAL 6 HB VAL 6 1.135 1.645 -1.769
37 HG11 VAL 6 1HG1 VAL 6 2.900 1.087 0.604
38 HG12 VAL 6 2HG1 VAL 6 1.204 0.637 0.425
39 HG13 VAL 6 3HG1 VAL 6 1.660 2.337 0.526
40 HG21 VAL 6 3HG2 VAL 6 2.773 3.451 -1.324
41 HG22 VAL 6 1HG2 VAL 6 3.081 2.613 -2.851
42 HG23 VAL 6 2HG2 VAL 6 4.072 2.264 -1.437
43 H CYS 7 H CYS 7 4.727 0.118 -3.181
44 HA CYS 7 HA CYS 7 6.128 -1.095 -0.964
45 HB2 CYS 7 2HB CYS 7 7.011 -0.877 -3.854
46 HB3 CYS 7 1HB CYS 7 7.913 -1.608 -2.522
47 H ARG 8 H ARG 8 7.517 -0.032 0.084
48 HA ARG 8 HA ARG 8 8.422 2.572 -0.904
49 HB2 ARG 8 2HB ARG 8 6.451 2.902 0.578
50 HB3 ARG 8 1HB ARG 8 7.300 2.062 1.862
51 HG2 ARG 8 2HG ARG 8 7.379 4.461 2.204
52 HG3 ARG 8 1HG ARG 8 8.996 3.832 1.887
53 HD2 ARG 8 2HD ARG 8 8.573 5.926 0.683
54 HD3 ARG 8 1HD ARG 8 8.875 4.585 -0.418
55 HE ARG 8 HE ARG 8 6.114 5.211 0.198
56 HH11 ARG 8 1HH1 ARG 8 8.752 5.498 -2.158
57 HH12 ARG 8 2HH1 ARG 8 7.760 6.006 -3.439
58 HH21 ARG 8 1HH2 ARG 8 4.738 5.931 -1.626
59 HH22 ARG 8 2HH2 ARG 8 5.486 6.266 -3.126
60 H ARG 9 H ARG 9 10.570 2.613 -0.811
61 HA ARG 9 HA ARG 9 12.708 2.210 -0.265
62 HB2 ARG 9 2HB ARG 9 12.076 3.381 1.797
63 HB3 ARG 9 1HB ARG 9 11.500 1.891 2.498
64 HG2 ARG 9 2HG ARG 9 13.644 2.662 3.474
65 HG3 ARG 9 1HG ARG 9 13.786 1.081 2.725
66 HD2 ARG 9 2HD ARG 9 14.540 3.609 1.273
67 HD3 ARG 9 1HD ARG 9 15.675 2.761 2.320
68 HE ARG 9 HE ARG 9 14.912 0.786 0.762
69 HH11 ARG 9 1HH1 ARG 9 15.719 4.101 -0.223
70 HH12 ARG 9 2HH1 ARG 9 16.459 3.659 -1.674
71 HH21 ARG 9 1HH2 ARG 9 15.886 0.168 -1.276
72 HH22 ARG 9 2HH2 ARG 9 16.516 1.345 -2.325
73 H GLY 10 H GLY 10 11.084 0.076 -1.208
74 HA2 GLY 10 2HA GLY 10 11.811 -2.056 -1.891
75 HA3 GLY 10 1HA GLY 10 12.894 -2.092 -0.512
76 H VAL 11 H VAL 11 10.402 -1.199 1.135
77 HA VAL 11 HA VAL 11 9.595 -3.942 1.719
78 HB VAL 11 HB VAL 11 9.065 -1.367 3.245
79 HG11 VAL 11 1HG1 VAL 11 8.429 -2.807 5.116
80 HG12 VAL 11 2HG1 VAL 11 8.661 -4.230 4.099
81 HG13 VAL 11 3HG1 VAL 11 7.386 -3.075 3.717
82 HG21 VAL 11 3HG2 VAL 11 11.437 -1.890 3.203
83 HG22 VAL 11 1HG2 VAL 11 11.099 -3.534 3.750
84 HG23 VAL 11 2HG2 VAL 11 10.776 -2.168 4.818
85 H CYS 12 H CYS 12 7.471 -4.639 1.445
86 HA CYS 12 HA CYS 12 5.754 -2.661 0.153
87 HB2 CYS 12 2HB CYS 12 5.820 -5.641 -0.348
88 HB3 CYS 12 1HB CYS 12 4.758 -4.475 -1.147
89 H ARG 13 H ARG 13 3.833 -2.285 0.934
90 HA ARG 13 HA ARG 13 2.782 -4.031 3.070
91 HB2 ARG 13 2HB ARG 13 2.963 -1.014 3.064
92 HB3 ARG 13 1HB ARG 13 2.082 -1.952 4.262
93 HG2 ARG 13 2HG ARG 13 4.082 -2.958 5.064
94 HG3 ARG 13 1HG ARG 13 5.017 -2.304 3.723
95 HD2 ARG 13 2HD ARG 13 4.629 -0.051 4.573
96 HD3 ARG 13 1HD ARG 13 3.695 -0.706 5.920
97 HE ARG 13 HE ARG 13 5.842 -1.988 6.388
98 HH11 ARG 13 1HH1 ARG 13 5.812 1.323 5.098
99 HH12 ARG 13 2HH1 ARG 13 7.302 1.770 5.763
100 HH21 ARG 13 1HH2 ARG 13 7.886 -1.412 7.316
101 HH22 ARG 13 2HH2 ARG 13 8.562 0.124 7.079
102 H CYS 14 H CYS 14 0.555 -4.346 3.022
103 HA CYS 14 HA CYS 14 -0.818 -2.967 0.834
104 HB2 CYS 14 2HB CYS 14 -1.540 -5.639 1.977
105 HB3 CYS 14 1HB CYS 14 -2.240 -4.873 0.566
106 H VAL 15 H VAL 15 -2.485 -1.914 1.138
107 HA VAL 15 HA VAL 15 -3.752 -1.846 3.793
108 HB VAL 15 HB VAL 15 -3.203 0.501 1.927
109 HG11 VAL 15 1HG1 VAL 15 -4.489 0.501 4.657
110 HG12 VAL 15 2HG1 VAL 15 -5.305 0.787 3.121
111 HG13 VAL 15 3HG1 VAL 15 -4.095 1.929 3.701
112 HG21 VAL 15 3HG2 VAL 15 -1.174 -0.219 3.071
113 HG22 VAL 15 1HG2 VAL 15 -2.004 -0.125 4.624
114 HG23 VAL 15 2HG2 VAL 15 -1.716 1.341 3.692
115 H CYS 16 H CYS 16 -5.918 -2.214 3.641
116 HA CYS 16 HA CYS 16 -7.036 -2.145 0.979
117 HB2 CYS 16 2HB CYS 16 -8.285 -3.300 3.483
118 HB3 CYS 16 1HB CYS 16 -8.926 -3.380 1.836
119 H ARG 17 H ARG 17 -8.376 -0.827 0.242
120 HA ARG 17 HA ARG 17 -9.410 1.283 1.995
121 HB2 ARG 17 2HB ARG 17 -7.249 1.912 0.897
122 HB3 ARG 17 1HB ARG 17 -8.006 1.650 -0.657
123 HG2 ARG 17 2HG ARG 17 -7.986 3.992 -0.306
124 HG3 ARG 17 1HG ARG 17 -9.650 3.470 -0.036
125 HD2 ARG 17 2HD ARG 17 -7.652 3.861 2.185
126 HD3 ARG 17 1HD ARG 17 -8.721 5.141 1.625
127 HE ARG 17 HE ARG 17 -10.511 3.356 2.189
128 HH11 ARG 17 1HH1 ARG 17 -7.567 3.956 4.115
129 HH12 ARG 17 2HH1 ARG 17 -8.355 3.614 5.590
130 HH21 ARG 17 1HH2 ARG 17 -11.501 2.889 4.204
131 HH22 ARG 17 2HH2 ARG 17 -10.625 2.994 5.654
132 H ARG 18 H ARG 18 -11.542 0.890 1.772
133 HA ARG 18 HA ARG 18 -13.617 0.929 0.892
134 HB2 ARG 18 2HB ARG 18 -12.710 3.045 -0.057
135 HB3 ARG 18 1HB ARG 18 -12.215 2.169 -1.479
136 HG2 ARG 18 2HG ARG 18 -14.555 1.720 -2.016
137 HG3 ARG 18 1HG ARG 18 -15.043 2.608 -0.566
138 HD2 ARG 18 2HD ARG 18 -15.126 3.993 -2.633
139 HD3 ARG 18 1HD ARG 18 -14.052 4.633 -1.392
140 HE ARG 18 HE ARG 18 -12.727 2.930 -3.272
141 HH11 ARG 18 1HH1 ARG 18 -13.783 6.269 -2.719
142 HH12 ARG 18 2HH1 ARG 18 -12.568 6.952 -3.684
143 HH21 ARG 18 1HH2 ARG 18 -11.081 3.844 -4.537
144 HH22 ARG 18 2HH2 ARG 18 -10.975 5.536 -4.777
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -11.828 -1.235 1.108
2 HA2 GLY 1 2HA GLY 1 -12.296 -3.535 0.844
3 HA3 GLY 1 1HA GLY 1 -13.260 -3.143 -0.573
4 H VAL 2 H VAL 2 -10.919 -1.312 -1.356
5 HA VAL 2 HA VAL 2 -9.614 -3.349 -2.958
6 HB VAL 2 HB VAL 2 -9.466 -0.320 -3.080
7 HG11 VAL 2 1HG1 VAL 2 -8.428 -2.363 -5.053
8 HG12 VAL 2 2HG1 VAL 2 -7.444 -1.352 -3.997
9 HG13 VAL 2 3HG1 VAL 2 -8.411 -0.613 -5.274
10 HG21 VAL 2 3HG2 VAL 2 -11.676 -1.148 -3.640
11 HG22 VAL 2 1HG2 VAL 2 -10.985 -2.272 -4.811
12 HG23 VAL 2 2HG2 VAL 2 -10.873 -0.529 -5.078
13 H CYS 3 H CYS 3 -7.619 -4.058 -2.492
14 HA CYS 3 HA CYS 3 -6.109 -2.471 -0.599
15 HB2 CYS 3 2HB CYS 3 -5.970 -5.433 -1.157
16 HB3 CYS 3 1HB CYS 3 -4.820 -4.589 -0.128
17 H ARG 4 H ARG 4 -4.211 -1.646 -1.228
18 HA ARG 4 HA ARG 4 -2.982 -2.669 -3.660
19 HB2 ARG 4 2HB ARG 4 -2.467 -0.270 -4.280
20 HB3 ARG 4 1HB ARG 4 -4.155 -0.733 -4.404
21 HG2 ARG 4 2HG ARG 4 -4.555 0.364 -2.210
22 HG3 ARG 4 1HG ARG 4 -2.880 0.915 -2.228
23 HD2 ARG 4 2HD ARG 4 -4.957 1.555 -4.329
24 HD3 ARG 4 1HD ARG 4 -4.445 2.641 -3.037
25 HE ARG 4 HE ARG 4 -2.130 2.116 -4.191
26 HH11 ARG 4 1HH1 ARG 4 -5.195 2.980 -5.715
27 HH12 ARG 4 2HH1 ARG 4 -4.481 3.790 -7.031
28 HH21 ARG 4 1HH2 ARG 4 -1.163 3.216 -5.947
29 HH22 ARG 4 2HH2 ARG 4 -2.103 3.948 -7.162
30 H CYS 5 H CYS 5 -0.741 -2.714 -3.626
31 HA CYS 5 HA CYS 5 0.362 -2.069 -0.994
32 HB2 CYS 5 2HB CYS 5 1.350 -4.199 -2.880
33 HB3 CYS 5 1HB CYS 5 1.911 -3.908 -1.243
34 H VAL 6 H VAL 6 2.200 -1.056 -0.762
35 HA VAL 6 HA VAL 6 3.421 0.151 -3.161
36 HB VAL 6 HB VAL 6 3.366 1.290 -0.352
37 HG11 VAL 6 1HG1 VAL 6 4.178 2.541 -2.970
38 HG12 VAL 6 2HG1 VAL 6 5.251 2.069 -1.652
39 HG13 VAL 6 3HG1 VAL 6 4.092 3.381 -1.423
40 HG21 VAL 6 3HG2 VAL 6 1.669 2.077 -2.700
41 HG22 VAL 6 1HG2 VAL 6 1.715 2.925 -1.155
42 HG23 VAL 6 2HG2 VAL 6 1.092 1.269 -1.240
43 H CYS 7 H CYS 7 5.537 -0.427 -3.398
44 HA CYS 7 HA CYS 7 6.813 -1.566 -1.056
45 HB2 CYS 7 2HB CYS 7 7.687 -1.778 -3.941
46 HB3 CYS 7 1HB CYS 7 8.458 -2.516 -2.532
47 H ARG 8 H ARG 8 8.348 -0.716 -0.057
48 HA ARG 8 HA ARG 8 9.574 1.684 -1.154
49 HB2 ARG 8 2HB ARG 8 7.722 2.391 0.253
50 HB3 ARG 8 1HB ARG 8 8.311 1.382 1.564
51 HG2 ARG 8 2HG ARG 8 10.234 2.760 1.860
52 HG3 ARG 8 1HG ARG 8 9.856 3.690 0.411
53 HD2 ARG 8 2HD ARG 8 8.131 3.532 2.877
54 HD3 ARG 8 1HD ARG 8 9.208 4.873 2.476
55 HE ARG 8 HE ARG 8 7.654 4.624 0.285
56 HH11 ARG 8 1HH1 ARG 8 6.903 5.075 3.711
57 HH12 ARG 8 2HH1 ARG 8 5.461 5.935 3.428
58 HH21 ARG 8 1HH2 ARG 8 5.669 5.807 -0.101
59 HH22 ARG 8 2HH2 ARG 8 4.727 6.344 1.198
60 H ARG 9 H ARG 9 11.554 1.032 -1.364
61 HA ARG 9 HA ARG 9 13.673 0.489 -0.892
62 HB2 ARG 9 2HB ARG 9 13.151 2.282 0.838
63 HB3 ARG 9 1HB ARG 9 12.951 0.984 1.995
64 HG2 ARG 9 2HG ARG 9 15.139 2.033 2.179
65 HG3 ARG 9 1HG ARG 9 15.275 0.339 1.701
66 HD2 ARG 9 2HD ARG 9 16.793 1.853 0.444
67 HD3 ARG 9 1HD ARG 9 15.677 0.958 -0.581
68 HE ARG 9 HE ARG 9 14.697 3.547 0.159
69 HH11 ARG 9 1HH1 ARG 9 16.729 1.840 -2.150
70 HH12 ARG 9 2HH1 ARG 9 16.605 3.023 -3.362
71 HH21 ARG 9 1HH2 ARG 9 14.488 5.155 -1.506
72 HH22 ARG 9 2HH2 ARG 9 15.277 4.953 -3.002
73 H GLY 10 H GLY 10 11.959 -1.642 -1.162
74 HA2 GLY 10 2HA GLY 10 12.469 -3.940 -1.106
75 HA3 GLY 10 1HA GLY 10 13.427 -3.661 0.338
76 H VAL 11 H VAL 11 10.906 -2.063 1.313
77 HA VAL 11 HA VAL 11 9.617 -4.478 2.379
78 HB VAL 11 HB VAL 11 9.506 -1.647 3.462
79 HG11 VAL 11 1HG1 VAL 11 7.541 -2.946 4.074
80 HG12 VAL 11 2HG1 VAL 11 8.562 -2.694 5.492
81 HG13 VAL 11 3HG1 VAL 11 8.562 -4.250 4.672
82 HG21 VAL 11 3HG2 VAL 11 10.997 -2.444 5.255
83 HG22 VAL 11 1HG2 VAL 11 11.761 -2.548 3.668
84 HG23 VAL 11 2HG2 VAL 11 11.127 -4.002 4.440
85 H CYS 12 H CYS 12 7.667 -4.966 1.594
86 HA CYS 12 HA CYS 12 6.191 -2.856 0.228
87 HB2 CYS 12 2HB CYS 12 5.814 -5.855 0.122
88 HB3 CYS 12 1HB CYS 12 4.904 -4.669 -0.810
89 H ARG 13 H ARG 13 4.559 -1.927 1.069
90 HA ARG 13 HA ARG 13 3.317 -3.149 3.439
91 HB2 ARG 13 2HB ARG 13 4.617 -1.011 3.775
92 HB3 ARG 13 1HB ARG 13 3.490 -0.219 2.689
93 HG2 ARG 13 2HG ARG 13 2.915 0.277 4.981
94 HG3 ARG 13 1HG ARG 13 1.656 -0.734 4.264
95 HD2 ARG 13 2HD ARG 13 2.223 -1.466 6.534
96 HD3 ARG 13 1HD ARG 13 2.617 -2.706 5.341
97 HE ARG 13 HE ARG 13 4.757 -0.902 6.094
98 HH11 ARG 13 1HH1 ARG 13 3.337 -4.125 6.493
99 HH12 ARG 13 2HH1 ARG 13 4.694 -4.738 7.332
100 HH21 ARG 13 1HH2 ARG 13 6.585 -1.776 7.209
101 HH22 ARG 13 2HH2 ARG 13 6.573 -3.407 7.734
102 H CYS 14 H CYS 14 1.076 -3.362 3.359
103 HA CYS 14 HA CYS 14 -0.119 -2.438 0.865
104 HB2 CYS 14 2HB CYS 14 -1.033 -4.697 2.595
105 HB3 CYS 14 1HB CYS 14 -1.753 -4.214 1.071
106 H VAL 15 H VAL 15 -1.817 -1.289 0.791
107 HA VAL 15 HA VAL 15 -3.007 -0.345 3.310
108 HB VAL 15 HB VAL 15 -2.501 1.256 0.775
109 HG11 VAL 15 1HG1 VAL 15 -3.258 3.204 2.083
110 HG12 VAL 15 2HG1 VAL 15 -3.690 2.114 3.405
111 HG13 VAL 15 3HG1 VAL 15 -4.521 1.994 1.860
112 HG21 VAL 15 3HG2 VAL 15 -0.908 2.569 2.122
113 HG22 VAL 15 1HG2 VAL 15 -0.423 0.878 1.987
114 HG23 VAL 15 2HG2 VAL 15 -1.164 1.463 3.475
115 H CYS 16 H CYS 16 -5.190 -0.521 3.362
116 HA CYS 16 HA CYS 16 -6.510 -1.201 0.837
117 HB2 CYS 16 2HB CYS 16 -7.282 -2.093 3.617
118 HB3 CYS 16 1HB CYS 16 -8.098 -2.514 2.115
119 H ARG 17 H ARG 17 -8.205 -0.149 0.230
120 HA ARG 17 HA ARG 17 -9.641 1.578 2.111
121 HB2 ARG 17 2HB ARG 17 -9.656 3.501 0.590
122 HB3 ARG 17 1HB ARG 17 -8.013 3.116 1.074
123 HG2 ARG 17 2HG ARG 17 -7.526 2.186 -1.078
124 HG3 ARG 17 1HG ARG 17 -9.242 2.201 -1.507
125 HD2 ARG 17 2HD ARG 17 -8.028 4.012 -2.627
126 HD3 ARG 17 1HD ARG 17 -9.250 4.621 -1.524
127 HE ARG 17 HE ARG 17 -6.844 4.554 -0.132
128 HH11 ARG 17 1HH1 ARG 17 -8.186 6.223 -2.959
129 HH12 ARG 17 2HH1 ARG 17 -7.278 7.645 -2.713
130 HH21 ARG 17 1HH2 ARG 17 -5.593 6.534 0.165
131 HH22 ARG 17 2HH2 ARG 17 -5.804 7.841 -0.914
132 H ARG 18 H ARG 18 -11.780 1.349 1.861
133 HA ARG 18 HA ARG 18 -13.826 0.891 1.006
134 HB2 ARG 18 2HB ARG 18 -13.297 2.840 -0.376
135 HB3 ARG 18 1HB ARG 18 -12.478 1.830 -1.542
136 HG2 ARG 18 2HG ARG 18 -14.652 2.558 -2.386
137 HG3 ARG 18 1HG ARG 18 -14.647 0.816 -2.152
138 HD2 ARG 18 2HD ARG 18 -15.850 1.120 -0.022
139 HD3 ARG 18 1HD ARG 18 -15.878 2.866 -0.302
140 HE ARG 18 HE ARG 18 -16.933 1.719 -2.558
141 HH11 ARG 18 1HH1 ARG 18 -17.872 1.890 0.847
142 HH12 ARG 18 2HH1 ARG 18 -19.517 1.609 0.570
143 HH21 ARG 18 1HH2 ARG 18 -19.192 1.392 -2.973
144 HH22 ARG 18 2HH2 ARG 18 -20.302 1.309 -1.686
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -12.350 -2.282 -0.120
2 HA2 GLY 1 2HA GLY 1 -12.699 -4.288 -1.279
3 HA3 GLY 1 1HA GLY 1 -13.584 -3.403 -2.509
4 H VAL 2 H VAL 2 -10.782 -1.761 -1.870
5 HA VAL 2 HA VAL 2 -9.375 -3.054 -4.105
6 HB VAL 2 HB VAL 2 -9.241 -0.148 -3.259
7 HG11 VAL 2 1HG1 VAL 2 -8.088 -1.534 -5.661
8 HG12 VAL 2 2HG1 VAL 2 -7.192 -0.905 -4.281
9 HG13 VAL 2 3HG1 VAL 2 -8.026 0.204 -5.371
10 HG21 VAL 2 3HG2 VAL 2 -11.428 -0.595 -4.219
11 HG22 VAL 2 1HG2 VAL 2 -10.675 -1.352 -5.624
12 HG23 VAL 2 2HG2 VAL 2 -10.463 0.372 -5.333
13 H CYS 3 H CYS 3 -7.434 -3.887 -3.512
14 HA CYS 3 HA CYS 3 -6.261 -2.815 -1.079
15 HB2 CYS 3 2HB CYS 3 -5.744 -5.484 -2.412
16 HB3 CYS 3 1HB CYS 3 -4.947 -4.887 -0.962
17 H ARG 4 H ARG 4 -4.544 -1.650 -1.181
18 HA ARG 4 HA ARG 4 -2.991 -1.718 -3.676
19 HB2 ARG 4 2HB ARG 4 -4.246 0.324 -3.686
20 HB3 ARG 4 1HB ARG 4 -3.792 0.683 -2.027
21 HG2 ARG 4 2HG ARG 4 -2.557 2.093 -3.583
22 HG3 ARG 4 1HG ARG 4 -1.463 1.004 -2.737
23 HD2 ARG 4 2HD ARG 4 -0.843 1.107 -5.065
24 HD3 ARG 4 1HD ARG 4 -1.485 -0.490 -4.700
25 HE ARG 4 HE ARG 4 -3.378 1.420 -5.715
26 HH11 ARG 4 1HH1 ARG 4 -1.221 -1.277 -6.496
27 HH12 ARG 4 2HH1 ARG 4 -1.878 -1.525 -8.041
28 HH21 ARG 4 1HH2 ARG 4 -4.285 1.070 -7.823
29 HH22 ARG 4 2HH2 ARG 4 -3.666 -0.168 -8.812
30 H CYS 5 H CYS 5 -0.977 -2.291 -3.410
31 HA CYS 5 HA CYS 5 0.317 -1.780 -0.844
32 HB2 CYS 5 2HB CYS 5 1.229 -3.511 -3.122
33 HB3 CYS 5 1HB CYS 5 2.045 -3.319 -1.598
34 H VAL 6 H VAL 6 1.846 -0.446 -0.726
35 HA VAL 6 HA VAL 6 2.954 0.817 -3.148
36 HB VAL 6 HB VAL 6 2.630 2.053 -0.379
37 HG11 VAL 6 1HG1 VAL 6 3.609 3.284 -2.951
38 HG12 VAL 6 2HG1 VAL 6 4.588 2.915 -1.532
39 HG13 VAL 6 3HG1 VAL 6 3.332 4.155 -1.444
40 HG21 VAL 6 3HG2 VAL 6 0.973 3.554 -1.421
41 HG22 VAL 6 1HG2 VAL 6 0.466 1.864 -1.473
42 HG23 VAL 6 2HG2 VAL 6 1.109 2.630 -2.920
43 H CYS 7 H CYS 7 5.054 0.292 -3.381
44 HA CYS 7 HA CYS 7 6.401 -0.696 -0.994
45 HB2 CYS 7 2HB CYS 7 7.078 -1.252 -3.875
46 HB3 CYS 7 1HB CYS 7 7.911 -1.879 -2.445
47 H ARG 8 H ARG 8 8.014 0.184 -0.182
48 HA ARG 8 HA ARG 8 9.574 2.105 -1.741
49 HB2 ARG 8 2HB ARG 8 7.968 3.415 -0.390
50 HB3 ARG 8 1HB ARG 8 8.556 2.612 1.059
51 HG2 ARG 8 2HG ARG 8 10.791 3.569 0.672
52 HG3 ARG 8 1HG ARG 8 10.156 4.418 -0.738
53 HD2 ARG 8 2HD ARG 8 9.194 4.765 2.094
54 HD3 ARG 8 1HD ARG 8 10.286 5.852 1.242
55 HE ARG 8 HE ARG 8 8.004 5.624 -0.319
56 HH11 ARG 8 1HH1 ARG 8 8.766 6.752 2.950
57 HH12 ARG 8 2HH1 ARG 8 7.625 8.000 2.949
58 HH21 ARG 8 1HH2 ARG 8 6.403 7.273 -0.320
59 HH22 ARG 8 2HH2 ARG 8 6.198 8.296 1.020
60 H ARG 9 H ARG 9 11.470 1.201 -1.807
61 HA ARG 9 HA ARG 9 13.456 0.325 -1.267
62 HB2 ARG 9 2HB ARG 9 13.545 2.326 0.203
63 HB3 ARG 9 1HB ARG 9 12.807 1.399 1.490
64 HG2 ARG 9 2HG ARG 9 15.200 1.723 1.860
65 HG3 ARG 9 1HG ARG 9 14.800 0.021 1.684
66 HD2 ARG 9 2HD ARG 9 15.914 1.721 -0.557
67 HD3 ARG 9 1HD ARG 9 16.915 0.753 0.523
68 HE ARG 9 HE ARG 9 15.349 -0.144 -1.707
69 HH11 ARG 9 1HH1 ARG 9 16.678 -1.205 1.413
70 HH12 ARG 9 2HH1 ARG 9 16.852 -2.827 0.906
71 HH21 ARG 9 1HH2 ARG 9 15.579 -2.410 -2.316
72 HH22 ARG 9 2HH2 ARG 9 16.235 -3.510 -1.197
73 H GLY 10 H GLY 10 11.347 -1.384 -1.348
74 HA2 GLY 10 2HA GLY 10 11.256 -3.693 -1.143
75 HA3 GLY 10 1HA GLY 10 12.475 -3.598 0.121
76 H VAL 11 H VAL 11 10.408 -1.356 1.119
77 HA VAL 11 HA VAL 11 8.967 -3.263 2.781
78 HB VAL 11 HB VAL 11 9.190 -0.252 3.070
79 HG11 VAL 11 1HG1 VAL 11 8.365 -0.637 5.356
80 HG12 VAL 11 2HG1 VAL 11 8.202 -2.353 4.996
81 HG13 VAL 11 3HG1 VAL 11 7.209 -1.178 4.138
82 HG21 VAL 11 3HG2 VAL 11 11.374 -1.320 3.331
83 HG22 VAL 11 1HG2 VAL 11 10.700 -2.409 4.544
84 HG23 VAL 11 2HG2 VAL 11 10.795 -0.671 4.864
85 H CYS 12 H CYS 12 7.034 -3.790 2.057
86 HA CYS 12 HA CYS 12 5.664 -1.855 0.395
87 HB2 CYS 12 2HB CYS 12 5.258 -4.836 0.634
88 HB3 CYS 12 1HB CYS 12 4.318 -3.771 -0.404
89 H ARG 13 H ARG 13 4.067 -0.811 1.158
90 HA ARG 13 HA ARG 13 2.724 -1.668 3.616
91 HB2 ARG 13 2HB ARG 13 2.647 0.952 2.090
92 HB3 ARG 13 1HB ARG 13 1.811 0.646 3.606
93 HG2 ARG 13 2HG ARG 13 4.803 0.658 3.206
94 HG3 ARG 13 1HG ARG 13 3.849 1.943 3.953
95 HD2 ARG 13 2HD ARG 13 3.124 0.391 5.683
96 HD3 ARG 13 1HD ARG 13 4.078 -0.893 4.943
97 HE ARG 13 HE ARG 13 5.593 1.438 5.651
98 HH11 ARG 13 1HH1 ARG 13 4.356 -1.687 6.769
99 HH12 ARG 13 2HH1 ARG 13 5.465 -1.776 8.064
100 HH21 ARG 13 1HH2 ARG 13 7.118 1.232 7.397
101 HH22 ARG 13 2HH2 ARG 13 7.072 -0.118 8.417
102 H CYS 14 H CYS 14 0.838 -2.739 3.345
103 HA CYS 14 HA CYS 14 -0.625 -2.202 0.856
104 HB2 CYS 14 2HB CYS 14 -0.703 -4.722 2.458
105 HB3 CYS 14 1HB CYS 14 -1.507 -4.402 0.940
106 H VAL 15 H VAL 15 -2.483 -1.498 0.995
107 HA VAL 15 HA VAL 15 -3.925 -1.530 3.561
108 HB VAL 15 HB VAL 15 -3.750 0.829 1.649
109 HG11 VAL 15 1HG1 VAL 15 -5.189 0.571 4.284
110 HG12 VAL 15 2HG1 VAL 15 -5.936 0.681 2.692
111 HG13 VAL 15 3HG1 VAL 15 -5.042 2.051 3.340
112 HG21 VAL 15 3HG2 VAL 15 -2.593 2.000 3.467
113 HG22 VAL 15 1HG2 VAL 15 -1.694 0.576 2.941
114 HG23 VAL 15 2HG2 VAL 15 -2.629 0.533 4.441
115 H CYS 16 H CYS 16 -5.826 -2.504 3.298
116 HA CYS 16 HA CYS 16 -7.039 -2.450 0.665
117 HB2 CYS 16 2HB CYS 16 -7.758 -4.096 3.101
118 HB3 CYS 16 1HB CYS 16 -8.620 -4.088 1.560
119 H ARG 17 H ARG 17 -8.706 -1.320 0.229
120 HA ARG 17 HA ARG 17 -10.438 -0.299 2.290
121 HB2 ARG 17 2HB ARG 17 -10.149 2.051 1.674
122 HB3 ARG 17 1HB ARG 17 -8.668 1.353 2.316
123 HG2 ARG 17 2HG ARG 17 -7.757 1.146 0.070
124 HG3 ARG 17 1HG ARG 17 -9.283 1.761 -0.588
125 HD2 ARG 17 2HD ARG 17 -7.500 3.469 -0.479
126 HD3 ARG 17 1HD ARG 17 -8.946 3.871 0.451
127 HE ARG 17 HE ARG 17 -7.598 2.938 2.397
128 HH11 ARG 17 1HH1 ARG 17 -6.172 4.694 -0.300
129 HH12 ARG 17 2HH1 ARG 17 -4.923 5.417 0.609
130 HH21 ARG 17 1HH2 ARG 17 -5.892 3.967 3.696
131 HH22 ARG 17 2HH2 ARG 17 -4.766 4.989 2.940
132 H ARG 18 H ARG 18 -12.416 -0.178 1.531
133 HA ARG 18 HA ARG 18 -14.218 0.016 0.189
134 HB2 ARG 18 2HB ARG 18 -12.989 2.157 -0.294
135 HB3 ARG 18 1HB ARG 18 -12.340 1.424 -1.739
136 HG2 ARG 18 2HG ARG 18 -14.246 2.858 -2.271
137 HG3 ARG 18 1HG ARG 18 -14.674 1.170 -2.580
138 HD2 ARG 18 2HD ARG 18 -15.861 1.019 -0.513
139 HD3 ARG 18 1HD ARG 18 -15.278 2.606 -0.012
140 HE ARG 18 HE ARG 18 -16.763 2.694 -2.424
141 HH11 ARG 18 1HH1 ARG 18 -17.082 2.451 1.072
142 HH12 ARG 18 2HH1 ARG 18 -18.582 3.246 1.140
143 HH21 ARG 18 1HH2 ARG 18 -18.831 3.803 -2.340
144 HH22 ARG 18 2HH2 ARG 18 -19.567 4.076 -0.820
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -11.728 -2.773 0.707
2 HA2 GLY 1 2HA GLY 1 -12.068 -4.671 -0.636
3 HA3 GLY 1 1HA GLY 1 -13.164 -3.739 -1.635
4 H VAL 2 H VAL 2 -10.714 -1.694 -1.523
5 HA VAL 2 HA VAL 2 -9.340 -2.978 -3.790
6 HB VAL 2 HB VAL 2 -9.516 -0.023 -3.177
7 HG11 VAL 2 1HG1 VAL 2 -8.530 -1.497 -5.612
8 HG12 VAL 2 2HG1 VAL 2 -7.552 -0.591 -4.454
9 HG13 VAL 2 3HG1 VAL 2 -8.717 0.251 -5.480
10 HG21 VAL 2 3HG2 VAL 2 -11.081 -1.595 -5.227
11 HG22 VAL 2 1HG2 VAL 2 -11.105 0.154 -5.018
12 HG23 VAL 2 2HG2 VAL 2 -11.730 -0.892 -3.742
13 H CYS 3 H CYS 3 -7.397 -3.748 -3.127
14 HA CYS 3 HA CYS 3 -5.940 -2.094 -1.216
15 HB2 CYS 3 2HB CYS 3 -5.554 -5.007 -1.906
16 HB3 CYS 3 1HB CYS 3 -4.470 -4.097 -0.865
17 H ARG 4 H ARG 4 -4.360 -0.948 -1.892
18 HA ARG 4 HA ARG 4 -3.040 -1.609 -4.439
19 HB2 ARG 4 2HB ARG 4 -4.220 0.521 -4.545
20 HB3 ARG 4 1HB ARG 4 -3.461 1.051 -3.053
21 HG2 ARG 4 2HG ARG 4 -1.316 1.187 -4.134
22 HG3 ARG 4 1HG ARG 4 -1.975 0.474 -5.604
23 HD2 ARG 4 2HD ARG 4 -2.905 3.079 -4.413
24 HD3 ARG 4 1HD ARG 4 -1.713 2.953 -5.701
25 HE ARG 4 HE ARG 4 -3.996 1.546 -6.471
26 HH11 ARG 4 1HH1 ARG 4 -3.053 4.906 -5.890
27 HH12 ARG 4 2HH1 ARG 4 -4.149 5.558 -7.001
28 HH21 ARG 4 1HH2 ARG 4 -5.485 2.456 -8.016
29 HH22 ARG 4 2HH2 ARG 4 -5.573 4.133 -8.251
30 H CYS 5 H CYS 5 -0.987 -2.281 -4.238
31 HA CYS 5 HA CYS 5 0.308 -1.792 -1.656
32 HB2 CYS 5 2HB CYS 5 0.851 -4.004 -3.614
33 HB3 CYS 5 1HB CYS 5 1.587 -3.812 -2.031
34 H VAL 6 H VAL 6 2.300 -1.080 -1.500
35 HA VAL 6 HA VAL 6 3.764 -0.432 -3.926
36 HB VAL 6 HB VAL 6 2.575 1.630 -3.266
37 HG11 VAL 6 1HG1 VAL 6 3.965 1.371 -0.612
38 HG12 VAL 6 2HG1 VAL 6 2.234 1.238 -0.916
39 HG13 VAL 6 3HG1 VAL 6 3.059 2.783 -1.154
40 HG21 VAL 6 3HG2 VAL 6 4.499 3.159 -3.078
41 HG22 VAL 6 1HG2 VAL 6 4.776 1.892 -4.276
42 HG23 VAL 6 2HG2 VAL 6 5.534 1.784 -2.687
43 H CYS 7 H CYS 7 5.953 -0.717 -3.747
44 HA CYS 7 HA CYS 7 6.828 -1.688 -1.146
45 HB2 CYS 7 2HB CYS 7 7.873 -2.486 -3.864
46 HB3 CYS 7 1HB CYS 7 8.436 -3.070 -2.301
47 H ARG 8 H ARG 8 8.471 -0.837 -0.238
48 HA ARG 8 HA ARG 8 10.293 0.842 -1.780
49 HB2 ARG 8 2HB ARG 8 8.592 2.346 -0.750
50 HB3 ARG 8 1HB ARG 8 9.057 1.729 0.833
51 HG2 ARG 8 2HG ARG 8 11.322 2.559 0.499
52 HG3 ARG 8 1HG ARG 8 10.861 3.195 -1.080
53 HD2 ARG 8 2HD ARG 8 10.801 5.014 0.441
54 HD3 ARG 8 1HD ARG 8 9.132 4.574 0.101
55 HE ARG 8 HE ARG 8 9.895 3.185 2.382
56 HH11 ARG 8 1HH1 ARG 8 9.228 6.496 1.370
57 HH12 ARG 8 2HH1 ARG 8 9.057 7.109 2.954
58 HH21 ARG 8 1HH2 ARG 8 9.653 3.993 4.537
59 HH22 ARG 8 2HH2 ARG 8 9.333 5.660 4.815
60 H ARG 9 H ARG 9 12.271 0.209 -1.384
61 HA ARG 9 HA ARG 9 14.153 -0.585 -0.385
62 HB2 ARG 9 2HB ARG 9 13.652 1.275 1.208
63 HB3 ARG 9 1HB ARG 9 12.714 0.167 2.182
64 HG2 ARG 9 2HG ARG 9 14.872 0.580 3.211
65 HG3 ARG 9 1HG ARG 9 14.792 -1.096 2.674
66 HD2 ARG 9 2HD ARG 9 16.090 -0.548 0.699
67 HD3 ARG 9 1HD ARG 9 16.097 1.154 1.158
68 HE ARG 9 HE ARG 9 17.211 -0.626 3.130
69 HH11 ARG 9 1HH1 ARG 9 17.924 1.271 0.242
70 HH12 ARG 9 2HH1 ARG 9 19.558 1.540 0.661
71 HH21 ARG 9 1HH2 ARG 9 19.500 -0.321 3.643
72 HH22 ARG 9 2HH2 ARG 9 20.458 0.619 2.592
73 H GLY 10 H GLY 10 11.891 -2.348 -0.942
74 HA2 GLY 10 2HA GLY 10 11.782 -4.680 -0.884
75 HA3 GLY 10 1HA GLY 10 12.844 -4.674 0.518
76 H VAL 11 H VAL 11 10.690 -2.434 1.355
77 HA VAL 11 HA VAL 11 9.050 -4.366 2.816
78 HB VAL 11 HB VAL 11 9.248 -1.358 3.176
79 HG11 VAL 11 1HG1 VAL 11 8.214 -1.768 5.367
80 HG12 VAL 11 2HG1 VAL 11 8.088 -3.483 4.973
81 HG13 VAL 11 3HG1 VAL 11 7.183 -2.296 4.037
82 HG21 VAL 11 3HG2 VAL 11 10.656 -1.814 5.141
83 HG22 VAL 11 1HG2 VAL 11 11.418 -2.364 3.649
84 HG23 VAL 11 2HG2 VAL 11 10.658 -3.529 4.732
85 H CYS 12 H CYS 12 7.014 -4.707 2.139
86 HA CYS 12 HA CYS 12 5.978 -2.771 0.227
87 HB2 CYS 12 2HB CYS 12 5.278 -5.707 0.477
88 HB3 CYS 12 1HB CYS 12 4.575 -4.586 -0.676
89 H ARG 13 H ARG 13 4.334 -1.609 0.861
90 HA ARG 13 HA ARG 13 2.705 -2.671 3.067
91 HB2 ARG 13 2HB ARG 13 3.983 -0.571 3.638
92 HB3 ARG 13 1HB ARG 13 3.065 0.261 2.385
93 HG2 ARG 13 2HG ARG 13 0.976 -0.317 3.558
94 HG3 ARG 13 1HG ARG 13 1.920 -1.068 4.837
95 HD2 ARG 13 2HD ARG 13 1.259 1.114 5.551
96 HD3 ARG 13 1HD ARG 13 2.993 1.128 5.254
97 HE ARG 13 HE ARG 13 2.645 2.412 3.327
98 HH11 ARG 13 1HH1 ARG 13 -0.430 1.800 4.995
99 HH12 ARG 13 2HH1 ARG 13 -1.197 3.214 4.477
100 HH21 ARG 13 1HH2 ARG 13 1.620 4.358 2.567
101 HH22 ARG 13 2HH2 ARG 13 0.017 4.746 3.001
102 H CYS 14 H CYS 14 0.556 -2.775 2.766
103 HA CYS 14 HA CYS 14 -0.370 -1.837 0.178
104 HB2 CYS 14 2HB CYS 14 -1.537 -3.981 1.908
105 HB3 CYS 14 1HB CYS 14 -2.134 -3.493 0.336
106 H VAL 15 H VAL 15 -1.913 -0.551 0.020
107 HA VAL 15 HA VAL 15 -3.107 0.582 2.430
108 HB VAL 15 HB VAL 15 -3.085 1.643 -0.419
109 HG11 VAL 15 1HG1 VAL 15 -4.960 2.484 0.877
110 HG12 VAL 15 2HG1 VAL 15 -3.791 3.770 0.567
111 HG13 VAL 15 3HG1 VAL 15 -3.858 3.006 2.153
112 HG21 VAL 15 3HG2 VAL 15 -1.355 2.487 1.905
113 HG22 VAL 15 1HG2 VAL 15 -1.394 3.255 0.321
114 HG23 VAL 15 2HG2 VAL 15 -0.816 1.592 0.489
115 H CYS 16 H CYS 16 -5.086 -0.230 2.797
116 HA CYS 16 HA CYS 16 -6.513 -1.228 0.473
117 HB2 CYS 16 2HB CYS 16 -6.697 -2.213 3.325
118 HB3 CYS 16 1HB CYS 16 -7.748 -2.679 1.983
119 H ARG 17 H ARG 17 -8.315 -0.410 -0.015
120 HA ARG 17 HA ARG 17 -9.738 1.223 1.929
121 HB2 ARG 17 2HB ARG 17 -8.270 2.686 0.564
122 HB3 ARG 17 1HB ARG 17 -9.096 2.106 -0.873
123 HG2 ARG 17 2HG ARG 17 -11.150 3.098 -0.201
124 HG3 ARG 17 1HG ARG 17 -10.491 3.513 1.381
125 HD2 ARG 17 2HD ARG 17 -9.506 4.571 -1.255
126 HD3 ARG 17 1HD ARG 17 -10.522 5.453 -0.110
127 HE ARG 17 HE ARG 17 -8.473 4.813 1.432
128 HH11 ARG 17 1HH1 ARG 17 -8.461 6.170 -1.837
129 HH12 ARG 17 2HH1 ARG 17 -6.998 7.020 -1.651
130 HH21 ARG 17 1HH2 ARG 17 -6.460 5.965 1.714
131 HH22 ARG 17 2HH2 ARG 17 -5.797 6.861 0.430
132 H ARG 18 H ARG 18 -11.397 -0.021 2.119
133 HA ARG 18 HA ARG 18 -13.290 -1.124 1.759
134 HB2 ARG 18 2HB ARG 18 -13.850 1.280 1.433
135 HB3 ARG 18 1HB ARG 18 -13.716 1.050 -0.298
136 HG2 ARG 18 2HG ARG 18 -16.037 1.016 0.386
137 HG3 ARG 18 1HG ARG 18 -15.564 -0.584 -0.190
138 HD2 ARG 18 2HD ARG 18 -15.223 -1.300 2.128
139 HD3 ARG 18 1HD ARG 18 -15.722 0.296 2.690
140 HE ARG 18 HE ARG 18 -17.790 -0.607 1.179
141 HH11 ARG 18 1HH1 ARG 18 -16.012 -1.792 4.007
142 HH12 ARG 18 2HH1 ARG 18 -17.343 -2.676 4.622
143 HH21 ARG 18 1HH2 ARG 18 -19.595 -1.831 2.047
144 HH22 ARG 18 2HH2 ARG 18 -19.408 -2.698 3.505
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -11.935 -2.775 -0.080
2 HA2 GLY 1 2HA GLY 1 -12.217 -4.495 -1.626
3 HA3 GLY 1 1HA GLY 1 -12.974 -3.355 -2.725
4 H VAL 2 H VAL 2 -10.490 -1.544 -2.192
5 HA VAL 2 HA VAL 2 -8.909 -2.932 -4.211
6 HB VAL 2 HB VAL 2 -9.030 0.032 -3.580
7 HG11 VAL 2 1HG1 VAL 2 -7.614 0.329 -5.578
8 HG12 VAL 2 2HG1 VAL 2 -7.474 -1.426 -5.723
9 HG13 VAL 2 3HG1 VAL 2 -6.788 -0.602 -4.328
10 HG21 VAL 2 3HG2 VAL 2 -11.023 -0.795 -4.727
11 HG22 VAL 2 1HG2 VAL 2 -10.011 -1.529 -5.970
12 HG23 VAL 2 2HG2 VAL 2 -10.066 0.226 -5.802
13 H CYS 3 H CYS 3 -7.256 -3.970 -3.347
14 HA CYS 3 HA CYS 3 -5.836 -2.637 -1.181
15 HB2 CYS 3 2HB CYS 3 -5.694 -5.516 -2.099
16 HB3 CYS 3 1HB CYS 3 -4.642 -4.826 -0.872
17 H ARG 4 H ARG 4 -4.153 -1.611 -1.572
18 HA ARG 4 HA ARG 4 -2.751 -1.963 -4.113
19 HB2 ARG 4 2HB ARG 4 -3.677 0.259 -3.722
20 HB3 ARG 4 1HB ARG 4 -2.875 0.342 -2.165
21 HG2 ARG 4 2HG ARG 4 -0.694 0.285 -3.318
22 HG3 ARG 4 1HG ARG 4 -1.541 0.293 -4.863
23 HD2 ARG 4 2HD ARG 4 -1.746 2.424 -2.739
24 HD3 ARG 4 1HD ARG 4 -0.783 2.546 -4.206
25 HE ARG 4 HE ARG 4 -3.243 2.012 -5.151
26 HH11 ARG 4 1HH1 ARG 4 -2.033 4.538 -2.922
27 HH12 ARG 4 2HH1 ARG 4 -3.255 5.629 -3.320
28 HH21 ARG 4 1HH2 ARG 4 -4.907 3.548 -5.653
29 HH22 ARG 4 2HH2 ARG 4 -4.917 5.068 -4.880
30 H CYS 5 H CYS 5 -0.947 -3.160 -3.854
31 HA CYS 5 HA CYS 5 0.525 -2.819 -1.349
32 HB2 CYS 5 2HB CYS 5 0.701 -5.112 -3.271
33 HB3 CYS 5 1HB CYS 5 1.556 -4.965 -1.757
34 H VAL 6 H VAL 6 2.400 -2.051 -1.451
35 HA VAL 6 HA VAL 6 3.743 -1.755 -4.017
36 HB VAL 6 HB VAL 6 2.445 0.322 -3.620
37 HG11 VAL 6 1HG1 VAL 6 2.341 0.350 -1.217
38 HG12 VAL 6 2HG1 VAL 6 3.010 1.866 -1.814
39 HG13 VAL 6 3HG1 VAL 6 4.075 0.645 -1.116
40 HG21 VAL 6 3HG2 VAL 6 4.494 0.513 -4.881
41 HG22 VAL 6 1HG2 VAL 6 5.425 0.688 -3.392
42 HG23 VAL 6 2HG2 VAL 6 4.285 1.944 -3.872
43 H CYS 7 H CYS 7 5.960 -1.889 -3.860
44 HA CYS 7 HA CYS 7 6.955 -2.411 -1.178
45 HB2 CYS 7 2HB CYS 7 8.065 -3.347 -3.817
46 HB3 CYS 7 1HB CYS 7 8.670 -3.766 -2.217
47 H ARG 8 H ARG 8 8.552 -1.384 -0.356
48 HA ARG 8 HA ARG 8 10.097 0.385 -2.064
49 HB2 ARG 8 2HB ARG 8 8.255 1.742 -1.135
50 HB3 ARG 8 1HB ARG 8 8.753 1.283 0.477
51 HG2 ARG 8 2HG ARG 8 10.775 2.500 0.318
52 HG3 ARG 8 1HG ARG 8 10.578 2.745 -1.415
53 HD2 ARG 8 2HD ARG 8 8.787 3.850 0.742
54 HD3 ARG 8 1HD ARG 8 9.996 4.766 -0.164
55 HE ARG 8 HE ARG 8 8.402 3.645 -2.069
56 HH11 ARG 8 1HH1 ARG 8 7.752 5.753 0.696
57 HH12 ARG 8 2HH1 ARG 8 6.454 6.559 -0.047
58 HH21 ARG 8 1HH2 ARG 8 6.620 4.713 -3.065
59 HH22 ARG 8 2HH2 ARG 8 5.766 5.935 -2.256
60 H ARG 9 H ARG 9 12.076 -0.138 -1.787
61 HA ARG 9 HA ARG 9 14.064 -0.687 -0.938
62 HB2 ARG 9 2HB ARG 9 13.530 1.446 0.290
63 HB3 ARG 9 1HB ARG 9 12.970 0.479 1.631
64 HG2 ARG 9 2HG ARG 9 15.182 -0.319 2.064
65 HG3 ARG 9 1HG ARG 9 15.783 0.386 0.558
66 HD2 ARG 9 2HD ARG 9 14.685 1.906 2.925
67 HD3 ARG 9 1HD ARG 9 16.382 1.817 2.434
68 HE ARG 9 HE ARG 9 14.976 2.708 0.239
69 HH11 ARG 9 1HH1 ARG 9 15.692 3.961 3.462
70 HH12 ARG 9 2HH1 ARG 9 15.514 5.588 3.014
71 HH21 ARG 9 1HH2 ARG 9 14.722 4.892 -0.368
72 HH22 ARG 9 2HH2 ARG 9 14.945 6.150 0.766
73 H GLY 10 H GLY 10 12.171 -2.700 -1.032
74 HA2 GLY 10 2HA GLY 10 12.379 -4.959 -0.517
75 HA3 GLY 10 1HA GLY 10 13.314 -4.534 0.914
76 H VAL 11 H VAL 11 10.990 -2.508 1.409
77 HA VAL 11 HA VAL 11 9.493 -4.426 3.012
78 HB VAL 11 HB VAL 11 9.443 -1.395 3.122
79 HG11 VAL 11 1HG1 VAL 11 8.420 -3.442 5.088
80 HG12 VAL 11 2HG1 VAL 11 7.434 -2.433 4.035
81 HG13 VAL 11 3HG1 VAL 11 8.398 -1.695 5.315
82 HG21 VAL 11 3HG2 VAL 11 11.669 -2.212 3.683
83 HG22 VAL 11 1HG2 VAL 11 10.979 -3.334 4.857
84 HG23 VAL 11 2HG2 VAL 11 10.860 -1.595 5.121
85 H CYS 12 H CYS 12 7.742 -5.221 2.018
86 HA CYS 12 HA CYS 12 6.265 -3.478 0.242
87 HB2 CYS 12 2HB CYS 12 5.882 -6.416 0.832
88 HB3 CYS 12 1HB CYS 12 5.009 -5.495 -0.386
89 H ARG 13 H ARG 13 4.349 -2.679 0.629
90 HA ARG 13 HA ARG 13 3.078 -3.355 3.179
91 HB2 ARG 13 2HB ARG 13 4.424 -1.354 3.482
92 HB3 ARG 13 1HB ARG 13 3.694 -0.621 2.067
93 HG2 ARG 13 2HG ARG 13 1.545 -0.532 3.212
94 HG3 ARG 13 1HG ARG 13 2.273 -1.300 4.630
95 HD2 ARG 13 2HD ARG 13 3.793 0.560 4.896
96 HD3 ARG 13 1HD ARG 13 3.181 1.307 3.423
97 HE ARG 13 HE ARG 13 0.987 1.025 4.963
98 HH11 ARG 13 1HH1 ARG 13 4.145 2.493 5.531
99 HH12 ARG 13 2HH1 ARG 13 3.545 3.756 6.513
100 HH21 ARG 13 1HH2 ARG 13 0.166 2.757 6.348
101 HH22 ARG 13 2HH2 ARG 13 1.244 3.889 7.009
102 H CYS 14 H CYS 14 0.869 -3.452 3.056
103 HA CYS 14 HA CYS 14 -0.317 -2.719 0.481
104 HB2 CYS 14 2HB CYS 14 -1.244 -4.803 2.427
105 HB3 CYS 14 1HB CYS 14 -2.026 -4.396 0.914
106 H VAL 15 H VAL 15 -1.951 -1.486 0.443
107 HA VAL 15 HA VAL 15 -3.169 -0.533 2.954
108 HB VAL 15 HB VAL 15 -2.899 0.987 0.328
109 HG11 VAL 15 1HG1 VAL 15 -3.851 1.921 3.028
110 HG12 VAL 15 2HG1 VAL 15 -4.851 1.651 1.599
111 HG13 VAL 15 3HG1 VAL 15 -3.644 2.939 1.604
112 HG21 VAL 15 3HG2 VAL 15 -1.246 2.408 1.425
113 HG22 VAL 15 1HG2 VAL 15 -0.695 0.736 1.389
114 HG23 VAL 15 2HG2 VAL 15 -1.338 1.433 2.881
115 H CYS 16 H CYS 16 -5.184 -1.379 3.034
116 HA CYS 16 HA CYS 16 -6.522 -1.870 0.508
117 HB2 CYS 16 2HB CYS 16 -7.104 -3.020 3.240
118 HB3 CYS 16 1HB CYS 16 -8.065 -3.262 1.775
119 H ARG 17 H ARG 17 -8.138 -0.819 -0.103
120 HA ARG 17 HA ARG 17 -9.536 0.917 1.775
121 HB2 ARG 17 2HB ARG 17 -7.636 2.120 0.613
122 HB3 ARG 17 1HB ARG 17 -8.486 1.843 -0.895
123 HG2 ARG 17 2HG ARG 17 -8.943 4.066 -0.143
124 HG3 ARG 17 1HG ARG 17 -10.416 3.087 0.017
125 HD2 ARG 17 2HD ARG 17 -10.067 2.830 2.368
126 HD3 ARG 17 1HD ARG 17 -8.476 3.578 2.278
127 HE ARG 17 HE ARG 17 -10.328 5.393 1.332
128 HH11 ARG 17 1HH1 ARG 17 -9.630 3.728 4.390
129 HH12 ARG 17 2HH1 ARG 17 -10.151 5.011 5.386
130 HH21 ARG 17 1HH2 ARG 17 -11.044 7.200 2.753
131 HH22 ARG 17 2HH2 ARG 17 -10.959 7.001 4.435
132 H ARG 18 H ARG 18 -11.382 -0.216 1.592
133 HA ARG 18 HA ARG 18 -13.319 -1.012 0.797
134 HB2 ARG 18 2HB ARG 18 -13.682 1.403 0.681
135 HB3 ARG 18 1HB ARG 18 -13.057 1.434 -0.953
136 HG2 ARG 18 2HG ARG 18 -14.943 0.095 -1.727
137 HG3 ARG 18 1HG ARG 18 -15.535 -0.062 -0.073
138 HD2 ARG 18 2HD ARG 18 -15.255 2.517 -1.611
139 HD3 ARG 18 1HD ARG 18 -16.759 1.644 -1.323
140 HE ARG 18 HE ARG 18 -15.617 2.060 1.142
141 HH11 ARG 18 1HH1 ARG 18 -16.762 4.143 -1.495
142 HH12 ARG 18 2HH1 ARG 18 -17.328 5.370 -0.463
143 HH21 ARG 18 1HH2 ARG 18 -16.373 3.775 2.556
144 HH22 ARG 18 2HH2 ARG 18 -17.097 5.160 1.882
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.718 -1.350 1.092
2 HA2 GLY 1 2HA GLY 1 -12.420 -3.442 0.359
3 HA3 GLY 1 1HA GLY 1 -13.327 -2.665 -0.932
4 H VAL 2 H VAL 2 -10.642 -1.097 -1.338
5 HA VAL 2 HA VAL 2 -9.657 -3.035 -3.283
6 HB VAL 2 HB VAL 2 -9.051 -0.077 -3.041
7 HG11 VAL 2 1HG1 VAL 2 -8.497 -2.012 -5.290
8 HG12 VAL 2 2HG1 VAL 2 -7.301 -1.307 -4.208
9 HG13 VAL 2 3HG1 VAL 2 -8.189 -0.275 -5.332
10 HG21 VAL 2 3HG2 VAL 2 -10.569 0.201 -4.973
11 HG22 VAL 2 1HG2 VAL 2 -11.404 -0.399 -3.537
12 HG23 VAL 2 2HG2 VAL 2 -10.997 -1.506 -4.847
13 H CYS 3 H CYS 3 -8.029 -4.231 -2.591
14 HA CYS 3 HA CYS 3 -6.128 -3.046 -0.745
15 HB2 CYS 3 2HB CYS 3 -6.573 -5.919 -1.553
16 HB3 CYS 3 1HB CYS 3 -5.264 -5.390 -0.506
17 H ARG 4 H ARG 4 -4.283 -2.349 -1.470
18 HA ARG 4 HA ARG 4 -3.264 -3.479 -3.975
19 HB2 ARG 4 2HB ARG 4 -4.437 -1.348 -4.422
20 HB3 ARG 4 1HB ARG 4 -3.353 -0.540 -3.300
21 HG2 ARG 4 2HG ARG 4 -1.459 -1.043 -4.736
22 HG3 ARG 4 1HG ARG 4 -2.528 -1.906 -5.853
23 HD2 ARG 4 2HD ARG 4 -3.806 0.160 -6.181
24 HD3 ARG 4 1HD ARG 4 -2.684 1.006 -5.124
25 HE ARG 4 HE ARG 4 -1.075 -0.066 -6.988
26 HH11 ARG 4 1HH1 ARG 4 -3.994 1.917 -7.175
27 HH12 ARG 4 2HH1 ARG 4 -3.540 2.694 -8.616
28 HH21 ARG 4 1HH2 ARG 4 -0.456 1.051 -9.017
29 HH22 ARG 4 2HH2 ARG 4 -1.528 2.207 -9.655
30 H CYS 5 H CYS 5 -1.068 -3.780 -3.992
31 HA CYS 5 HA CYS 5 0.305 -3.081 -1.510
32 HB2 CYS 5 2HB CYS 5 1.233 -5.012 -3.617
33 HB3 CYS 5 1HB CYS 5 1.886 -4.813 -1.997
34 H VAL 6 H VAL 6 2.010 -1.934 -1.356
35 HA VAL 6 HA VAL 6 3.023 -0.591 -3.773
36 HB VAL 6 HB VAL 6 2.523 0.655 -1.039
37 HG11 VAL 6 1HG1 VAL 6 4.410 1.676 -2.180
38 HG12 VAL 6 2HG1 VAL 6 3.048 2.792 -2.092
39 HG13 VAL 6 3HG1 VAL 6 3.404 1.963 -3.603
40 HG21 VAL 6 3HG2 VAL 6 0.752 1.982 -2.120
41 HG22 VAL 6 1HG2 VAL 6 0.404 0.253 -2.152
42 HG23 VAL 6 2HG2 VAL 6 0.986 1.061 -3.605
43 H CYS 7 H CYS 7 5.287 -0.415 -3.779
44 HA CYS 7 HA CYS 7 6.622 -1.507 -1.419
45 HB2 CYS 7 2HB CYS 7 7.665 -1.522 -4.255
46 HB3 CYS 7 1HB CYS 7 8.455 -2.138 -2.794
47 H ARG 8 H ARG 8 7.826 -0.358 -0.335
48 HA ARG 8 HA ARG 8 8.902 2.145 -1.443
49 HB2 ARG 8 2HB ARG 8 6.868 2.640 -0.120
50 HB3 ARG 8 1HB ARG 8 7.579 1.823 1.262
51 HG2 ARG 8 2HG ARG 8 9.415 3.504 1.227
52 HG3 ARG 8 1HG ARG 8 8.543 4.359 -0.046
53 HD2 ARG 8 2HD ARG 8 7.496 3.770 2.723
54 HD3 ARG 8 1HD ARG 8 8.123 5.321 2.181
55 HE ARG 8 HE ARG 8 6.139 4.792 0.428
56 HH11 ARG 8 1HH1 ARG 8 6.254 4.841 3.972
57 HH12 ARG 8 2HH1 ARG 8 4.636 5.368 4.158
58 HH21 ARG 8 1HH2 ARG 8 3.878 5.543 0.713
59 HH22 ARG 8 2HH2 ARG 8 3.282 5.754 2.282
60 H ARG 9 H ARG 9 11.012 1.879 -1.367
61 HA ARG 9 HA ARG 9 13.108 1.426 -0.725
62 HB2 ARG 9 2HB ARG 9 12.505 3.124 1.004
63 HB3 ARG 9 1HB ARG 9 12.011 1.829 2.075
64 HG2 ARG 9 2HG ARG 9 14.189 2.669 2.699
65 HG3 ARG 9 1HG ARG 9 14.320 1.003 2.141
66 HD2 ARG 9 2HD ARG 9 15.081 1.818 -0.053
67 HD3 ARG 9 1HD ARG 9 14.964 3.478 0.535
68 HE ARG 9 HE ARG 9 16.694 1.552 1.897
69 HH11 ARG 9 1HH1 ARG 9 16.387 4.462 -0.077
70 HH12 ARG 9 2HH1 ARG 9 17.953 5.017 0.218
71 HH21 ARG 9 1HH2 ARG 9 18.897 2.338 2.331
72 HH22 ARG 9 2HH2 ARG 9 19.409 3.789 1.623
73 H GLY 10 H GLY 10 11.675 -0.769 -1.315
74 HA2 GLY 10 2HA GLY 10 12.227 -3.017 -1.374
75 HA3 GLY 10 1HA GLY 10 13.216 -2.785 0.060
76 H VAL 11 H VAL 11 10.497 -1.413 1.047
77 HA VAL 11 HA VAL 11 9.527 -3.919 2.149
78 HB VAL 11 HB VAL 11 8.993 -1.063 3.032
79 HG11 VAL 11 1HG1 VAL 11 7.968 -2.068 5.028
80 HG12 VAL 11 2HG1 VAL 11 8.213 -3.674 4.347
81 HG13 VAL 11 3HG1 VAL 11 7.114 -2.542 3.559
82 HG21 VAL 11 3HG2 VAL 11 10.715 -3.206 4.276
83 HG22 VAL 11 1HG2 VAL 11 10.392 -1.613 4.959
84 HG23 VAL 11 2HG2 VAL 11 11.292 -1.764 3.445
85 H CYS 12 H CYS 12 7.928 -4.754 1.080
86 HA CYS 12 HA CYS 12 6.090 -2.999 -0.312
87 HB2 CYS 12 2HB CYS 12 6.391 -6.008 -0.433
88 HB3 CYS 12 1HB CYS 12 5.302 -5.040 -1.423
89 H ARG 13 H ARG 13 4.298 -2.507 0.526
90 HA ARG 13 HA ARG 13 3.245 -4.132 2.736
91 HB2 ARG 13 2HB ARG 13 4.285 -2.065 3.553
92 HB3 ARG 13 1HB ARG 13 3.299 -1.127 2.445
93 HG2 ARG 13 2HG ARG 13 1.286 -1.880 3.619
94 HG3 ARG 13 1HG ARG 13 2.307 -2.787 4.736
95 HD2 ARG 13 2HD ARG 13 3.374 -0.734 5.459
96 HD3 ARG 13 1HD ARG 13 2.410 0.192 4.310
97 HE ARG 13 HE ARG 13 0.687 -1.272 5.899
98 HH11 ARG 13 1HH1 ARG 13 3.040 1.320 6.353
99 HH12 ARG 13 2HH1 ARG 13 2.165 2.144 7.551
100 HH21 ARG 13 1HH2 ARG 13 -0.564 -0.165 7.561
101 HH22 ARG 13 2HH2 ARG 13 0.035 1.279 8.244
102 H CYS 14 H CYS 14 1.025 -4.500 2.650
103 HA CYS 14 HA CYS 14 -0.222 -3.415 0.278
104 HB2 CYS 14 2HB CYS 14 -1.124 -5.773 1.877
105 HB3 CYS 14 1HB CYS 14 -1.766 -5.241 0.337
106 H VAL 15 H VAL 15 -1.731 -2.184 0.315
107 HA VAL 15 HA VAL 15 -2.722 -1.260 2.923
108 HB VAL 15 HB VAL 15 -2.523 0.318 0.350
109 HG11 VAL 15 1HG1 VAL 15 -2.870 2.268 1.802
110 HG12 VAL 15 2HG1 VAL 15 -3.085 1.186 3.174
111 HG13 VAL 15 3HG1 VAL 15 -4.235 1.153 1.837
112 HG21 VAL 15 3HG2 VAL 15 -0.613 1.496 1.387
113 HG22 VAL 15 1HG2 VAL 15 -0.273 -0.215 1.109
114 HG23 VAL 15 2HG2 VAL 15 -0.666 0.350 2.728
115 H CYS 16 H CYS 16 -4.801 -1.662 3.230
116 HA CYS 16 HA CYS 16 -6.465 -2.031 0.876
117 HB2 CYS 16 2HB CYS 16 -6.945 -2.979 3.698
118 HB3 CYS 16 1HB CYS 16 -8.055 -3.142 2.331
119 H ARG 17 H ARG 17 -7.948 -0.718 0.438
120 HA ARG 17 HA ARG 17 -9.064 1.028 2.473
121 HB2 ARG 17 2HB ARG 17 -7.110 2.286 1.758
122 HB3 ARG 17 1HB ARG 17 -7.569 2.094 0.074
123 HG2 ARG 17 2HG ARG 17 -9.551 3.477 0.450
124 HG3 ARG 17 1HG ARG 17 -9.108 3.648 2.148
125 HD2 ARG 17 2HD ARG 17 -8.451 5.602 0.781
126 HD3 ARG 17 1HD ARG 17 -7.076 4.814 1.552
127 HE ARG 17 HE ARG 17 -7.452 3.738 -1.010
128 HH11 ARG 17 1HH1 ARG 17 -6.374 6.782 0.451
129 HH12 ARG 17 2HH1 ARG 17 -5.323 7.185 -0.822
130 HH21 ARG 17 1HH2 ARG 17 -5.987 4.269 -2.734
131 HH22 ARG 17 2HH2 ARG 17 -5.108 5.723 -2.689
132 H ARG 18 H ARG 18 -11.115 0.980 2.192
133 HA ARG 18 HA ARG 18 -13.194 1.005 1.349
134 HB2 ARG 18 2HB ARG 18 -12.220 3.108 0.301
135 HB3 ARG 18 1HB ARG 18 -11.955 2.170 -1.152
136 HG2 ARG 18 2HG ARG 18 -13.969 3.577 -1.262
137 HG3 ARG 18 1HG ARG 18 -14.323 1.857 -1.444
138 HD2 ARG 18 2HD ARG 18 -15.921 3.069 0.029
139 HD3 ARG 18 1HD ARG 18 -15.119 1.720 0.820
140 HE ARG 18 HE ARG 18 -13.530 3.674 1.564
141 HH11 ARG 18 1HH1 ARG 18 -17.072 3.809 1.399
142 HH12 ARG 18 2HH1 ARG 18 -17.207 4.827 2.762
143 HH21 ARG 18 1HH2 ARG 18 -13.750 4.979 3.436
144 HH22 ARG 18 2HH2 ARG 18 -15.295 5.491 3.960
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -10.574 -0.641 2.704
2 HA2 GLY 1 2HA GLY 1 -10.936 -2.945 2.920
3 HA3 GLY 1 1HA GLY 1 -12.361 -2.787 1.903
4 H VAL 2 H VAL 2 -10.604 -1.110 0.030
5 HA VAL 2 HA VAL 2 -9.829 -3.382 -1.569
6 HB VAL 2 HB VAL 2 -9.756 -0.425 -2.235
7 HG11 VAL 2 1HG1 VAL 2 -9.655 -1.165 -4.579
8 HG12 VAL 2 2HG1 VAL 2 -9.546 -2.837 -4.031
9 HG13 VAL 2 3HG1 VAL 2 -8.256 -1.700 -3.649
10 HG21 VAL 2 3HG2 VAL 2 -11.846 -2.503 -2.899
11 HG22 VAL 2 1HG2 VAL 2 -11.833 -0.839 -3.481
12 HG23 VAL 2 2HG2 VAL 2 -12.032 -1.168 -1.762
13 H CYS 3 H CYS 3 -7.820 -4.163 -1.401
14 HA CYS 3 HA CYS 3 -5.787 -2.410 -0.292
15 HB2 CYS 3 2HB CYS 3 -5.766 -5.411 -0.635
16 HB3 CYS 3 1HB CYS 3 -4.478 -4.470 0.108
17 H ARG 4 H ARG 4 -4.191 -1.565 -1.328
18 HA ARG 4 HA ARG 4 -3.490 -2.601 -3.975
19 HB2 ARG 4 2HB ARG 4 -3.811 0.308 -3.172
20 HB3 ARG 4 1HB ARG 4 -3.168 -0.235 -4.715
21 HG2 ARG 4 2HG ARG 4 -5.954 -0.828 -3.711
22 HG3 ARG 4 1HG ARG 4 -5.549 0.470 -4.830
23 HD2 ARG 4 2HD ARG 4 -4.770 -1.134 -6.470
24 HD3 ARG 4 1HD ARG 4 -4.992 -2.456 -5.332
25 HE ARG 4 HE ARG 4 -7.384 -2.003 -5.439
26 HH11 ARG 4 1HH1 ARG 4 -5.415 -0.730 -8.104
27 HH12 ARG 4 2HH1 ARG 4 -6.648 -0.869 -9.259
28 HH21 ARG 4 1HH2 ARG 4 -9.101 -2.206 -7.097
29 HH22 ARG 4 2HH2 ARG 4 -8.760 -1.696 -8.675
30 H CYS 5 H CYS 5 -1.296 -2.695 -4.351
31 HA CYS 5 HA CYS 5 0.273 -2.235 -1.951
32 HB2 CYS 5 2HB CYS 5 0.902 -3.985 -4.308
33 HB3 CYS 5 1HB CYS 5 1.827 -3.884 -2.813
34 H VAL 6 H VAL 6 2.226 -1.276 -1.875
35 HA VAL 6 HA VAL 6 3.237 0.026 -4.254
36 HB VAL 6 HB VAL 6 1.752 1.702 -3.166
37 HG11 VAL 6 1HG1 VAL 6 3.503 1.391 -0.745
38 HG12 VAL 6 2HG1 VAL 6 1.803 0.950 -0.881
39 HG13 VAL 6 3HG1 VAL 6 2.285 2.646 -0.965
40 HG21 VAL 6 3HG2 VAL 6 4.690 2.352 -2.915
41 HG22 VAL 6 1HG2 VAL 6 3.387 3.540 -2.943
42 HG23 VAL 6 2HG2 VAL 6 3.689 2.536 -4.356
43 H CYS 7 H CYS 7 5.492 0.218 -4.187
44 HA CYS 7 HA CYS 7 6.662 -0.978 -1.810
45 HB2 CYS 7 2HB CYS 7 7.814 -1.005 -4.604
46 HB3 CYS 7 1HB CYS 7 8.474 -1.782 -3.164
47 H ARG 8 H ARG 8 8.069 -0.018 -0.701
48 HA ARG 8 HA ARG 8 9.109 2.562 -1.614
49 HB2 ARG 8 2HB ARG 8 7.143 3.032 -0.301
50 HB3 ARG 8 1HB ARG 8 7.666 1.940 0.959
51 HG2 ARG 8 2HG ARG 8 9.570 3.443 1.428
52 HG3 ARG 8 1HG ARG 8 8.943 4.567 0.219
53 HD2 ARG 8 2HD ARG 8 8.256 5.167 2.523
54 HD3 ARG 8 1HD ARG 8 6.881 4.819 1.468
55 HE ARG 8 HE ARG 8 7.818 2.540 2.892
56 HH11 ARG 8 1HH1 ARG 8 5.771 5.395 3.316
57 HH12 ARG 8 2HH1 ARG 8 4.692 4.614 4.396
58 HH21 ARG 8 1HH2 ARG 8 6.354 1.505 4.301
59 HH22 ARG 8 2HH2 ARG 8 5.035 2.354 4.978
60 H ARG 9 H ARG 9 11.195 2.364 -1.546
61 HA ARG 9 HA ARG 9 13.321 2.061 -0.889
62 HB2 ARG 9 2HB ARG 9 12.376 3.307 1.123
63 HB3 ARG 9 1HB ARG 9 12.228 1.754 1.917
64 HG2 ARG 9 2HG ARG 9 14.659 1.459 1.773
65 HG3 ARG 9 1HG ARG 9 14.791 3.018 0.963
66 HD2 ARG 9 2HD ARG 9 13.811 4.113 2.945
67 HD3 ARG 9 1HD ARG 9 13.734 2.546 3.747
68 HE ARG 9 HE ARG 9 16.341 3.023 2.861
69 HH11 ARG 9 1HH1 ARG 9 14.112 4.105 5.395
70 HH12 ARG 9 2HH1 ARG 9 15.362 4.542 6.479
71 HH21 ARG 9 1HH2 ARG 9 18.030 3.662 4.369
72 HH22 ARG 9 2HH2 ARG 9 17.599 4.297 5.885
73 H GLY 10 H GLY 10 11.812 -0.163 -1.756
74 HA2 GLY 10 2HA GLY 10 12.471 -2.339 -2.230
75 HA3 GLY 10 1HA GLY 10 13.589 -2.280 -0.881
76 H VAL 11 H VAL 11 10.754 -1.184 0.325
77 HA VAL 11 HA VAL 11 9.965 -3.876 1.157
78 HB VAL 11 HB VAL 11 9.565 -1.255 2.632
79 HG11 VAL 11 1HG1 VAL 11 8.768 -2.627 4.507
80 HG12 VAL 11 2HG1 VAL 11 8.935 -4.077 3.521
81 HG13 VAL 11 3HG1 VAL 11 7.747 -2.848 3.083
82 HG21 VAL 11 3HG2 VAL 11 11.877 -1.980 2.642
83 HG22 VAL 11 1HG2 VAL 11 11.392 -3.566 3.239
84 HG23 VAL 11 2HG2 VAL 11 11.172 -2.129 4.248
85 H CYS 12 H CYS 12 8.079 -4.531 0.420
86 HA CYS 12 HA CYS 12 6.310 -2.562 -0.777
87 HB2 CYS 12 2HB CYS 12 6.269 -5.572 -1.009
88 HB3 CYS 12 1HB CYS 12 5.189 -4.460 -1.848
89 H ARG 13 H ARG 13 4.572 -1.895 0.088
90 HA ARG 13 HA ARG 13 3.424 -3.440 2.295
91 HB2 ARG 13 2HB ARG 13 3.819 -0.451 2.084
92 HB3 ARG 13 1HB ARG 13 2.754 -1.207 3.257
93 HG2 ARG 13 2HG ARG 13 5.738 -1.596 3.070
94 HG3 ARG 13 1HG ARG 13 4.893 -0.597 4.256
95 HD2 ARG 13 2HD ARG 13 4.748 -3.598 3.933
96 HD3 ARG 13 1HD ARG 13 5.424 -2.697 5.286
97 HE ARG 13 HE ARG 13 2.981 -1.805 5.392
98 HH11 ARG 13 1HH1 ARG 13 4.109 -5.135 5.054
99 HH12 ARG 13 2HH1 ARG 13 2.656 -5.843 5.568
100 HH21 ARG 13 1HH2 ARG 13 0.933 -2.771 6.057
101 HH22 ARG 13 2HH2 ARG 13 0.808 -4.467 6.155
102 H CYS 14 H CYS 14 1.224 -3.647 2.202
103 HA CYS 14 HA CYS 14 0.053 -2.250 -0.044
104 HB2 CYS 14 2HB CYS 14 -1.072 -4.673 1.302
105 HB3 CYS 14 1HB CYS 14 -1.595 -3.947 -0.207
106 H VAL 15 H VAL 15 -1.352 -0.915 0.170
107 HA VAL 15 HA VAL 15 -2.222 -0.165 2.874
108 HB VAL 15 HB VAL 15 -2.173 1.514 0.339
109 HG11 VAL 15 1HG1 VAL 15 -3.873 2.272 1.900
110 HG12 VAL 15 2HG1 VAL 15 -2.546 3.430 1.813
111 HG13 VAL 15 3HG1 VAL 15 -2.675 2.347 3.193
112 HG21 VAL 15 3HG2 VAL 15 -0.268 1.547 2.684
113 HG22 VAL 15 1HG2 VAL 15 -0.263 2.693 1.342
114 HG23 VAL 15 2HG2 VAL 15 0.097 0.991 1.046
115 H CYS 16 H CYS 16 -4.364 -0.190 3.295
116 HA CYS 16 HA CYS 16 -6.003 -0.990 1.049
117 HB2 CYS 16 2HB CYS 16 -6.491 -1.583 3.963
118 HB3 CYS 16 1HB CYS 16 -7.442 -2.145 2.579
119 H ARG 17 H ARG 17 -7.598 0.022 0.447
120 HA ARG 17 HA ARG 17 -8.285 2.591 1.705
121 HB2 ARG 17 2HB ARG 17 -6.963 2.710 -0.358
122 HB3 ARG 17 1HB ARG 17 -8.140 1.704 -1.171
123 HG2 ARG 17 2HG ARG 17 -9.811 3.472 -0.908
124 HG3 ARG 17 1HG ARG 17 -8.589 4.478 -0.117
125 HD2 ARG 17 2HD ARG 17 -8.473 3.399 -2.929
126 HD3 ARG 17 1HD ARG 17 -8.735 5.084 -2.470
127 HE ARG 17 HE ARG 17 -6.450 4.716 -1.306
128 HH11 ARG 17 1HH1 ARG 17 -7.388 3.545 -4.509
129 HH12 ARG 17 2HH1 ARG 17 -5.813 3.510 -5.138
130 HH21 ARG 17 1HH2 ARG 17 -4.232 4.638 -2.172
131 HH22 ARG 17 2HH2 ARG 17 -3.990 4.147 -3.774
132 H ARG 18 H ARG 18 -10.183 1.953 2.750
133 HA ARG 18 HA ARG 18 -12.353 1.402 3.032
134 HB2 ARG 18 2HB ARG 18 -12.574 3.185 1.300
135 HB3 ARG 18 1HB ARG 18 -12.512 1.964 0.055
136 HG2 ARG 18 2HG ARG 18 -14.628 1.063 0.778
137 HG3 ARG 18 1HG ARG 18 -14.674 2.159 2.157
138 HD2 ARG 18 2HD ARG 18 -14.673 2.972 -0.750
139 HD3 ARG 18 1HD ARG 18 -16.075 2.969 0.323
140 HE ARG 18 HE ARG 18 -14.111 4.514 1.523
141 HH11 ARG 18 1HH1 ARG 18 -16.121 4.663 -1.372
142 HH12 ARG 18 2HH1 ARG 18 -16.161 6.360 -1.441
143 HH21 ARG 18 1HH2 ARG 18 -14.161 6.840 1.446
144 HH22 ARG 18 2HH2 ARG 18 -15.025 7.636 0.206
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -11.158 -2.684 0.724
2 HA2 GLY 1 2HA GLY 1 -11.132 -4.994 0.161
3 HA3 GLY 1 1HA GLY 1 -12.404 -4.693 -1.018
4 H VAL 2 H VAL 2 -10.779 -2.191 -1.752
5 HA VAL 2 HA VAL 2 -9.255 -3.508 -3.841
6 HB VAL 2 HB VAL 2 -9.823 -0.559 -3.340
7 HG11 VAL 2 1HG1 VAL 2 -8.732 -1.920 -5.801
8 HG12 VAL 2 2HG1 VAL 2 -7.811 -0.906 -4.692
9 HG13 VAL 2 3HG1 VAL 2 -9.119 -0.206 -5.649
10 HG21 VAL 2 3HG2 VAL 2 -11.874 -1.795 -3.789
11 HG22 VAL 2 1HG2 VAL 2 -11.143 -2.498 -5.231
12 HG23 VAL 2 2HG2 VAL 2 -11.462 -0.769 -5.165
13 H CYS 3 H CYS 3 -7.134 -3.881 -3.541
14 HA CYS 3 HA CYS 3 -5.840 -2.317 -1.455
15 HB2 CYS 3 2HB CYS 3 -5.242 -5.117 -2.395
16 HB3 CYS 3 1HB CYS 3 -4.259 -4.237 -1.235
17 H ARG 4 H ARG 4 -4.084 -1.168 -1.897
18 HA ARG 4 HA ARG 4 -2.772 -1.542 -4.506
19 HB2 ARG 4 2HB ARG 4 -3.137 0.998 -2.899
20 HB3 ARG 4 1HB ARG 4 -2.169 0.872 -4.361
21 HG2 ARG 4 2HG ARG 4 -4.164 0.268 -5.630
22 HG3 ARG 4 1HG ARG 4 -5.133 0.395 -4.163
23 HD2 ARG 4 2HD ARG 4 -4.580 2.758 -3.984
24 HD3 ARG 4 1HD ARG 4 -3.552 2.642 -5.414
25 HE ARG 4 HE ARG 4 -6.226 1.766 -5.879
26 HH11 ARG 4 1HH1 ARG 4 -4.191 4.653 -5.748
27 HH12 ARG 4 2HH1 ARG 4 -5.134 5.554 -6.834
28 HH21 ARG 4 1HH2 ARG 4 -7.569 3.008 -7.321
29 HH22 ARG 4 2HH2 ARG 4 -7.151 4.590 -7.740
30 H CYS 5 H CYS 5 -0.652 -2.088 -4.385
31 HA CYS 5 HA CYS 5 0.579 -1.921 -1.732
32 HB2 CYS 5 2HB CYS 5 1.231 -3.834 -3.945
33 HB3 CYS 5 1HB CYS 5 1.878 -3.852 -2.318
34 H VAL 6 H VAL 6 2.459 -1.028 -1.495
35 HA VAL 6 HA VAL 6 4.016 -0.253 -3.845
36 HB VAL 6 HB VAL 6 3.543 1.651 -1.509
37 HG11 VAL 6 1HG1 VAL 6 4.843 2.100 -4.189
38 HG12 VAL 6 2HG1 VAL 6 5.667 1.956 -2.635
39 HG13 VAL 6 3HG1 VAL 6 4.598 3.329 -2.947
40 HG21 VAL 6 3HG2 VAL 6 2.297 1.807 -4.260
41 HG22 VAL 6 1HG2 VAL 6 2.181 3.047 -3.012
42 HG23 VAL 6 2HG2 VAL 6 1.446 1.461 -2.759
43 H CYS 7 H CYS 7 6.226 -0.437 -3.456
44 HA CYS 7 HA CYS 7 6.874 -1.518 -0.827
45 HB2 CYS 7 2HB CYS 7 8.384 -1.850 -3.427
46 HB3 CYS 7 1HB CYS 7 8.785 -2.596 -1.883
47 H ARG 8 H ARG 8 8.346 -0.672 0.418
48 HA ARG 8 HA ARG 8 9.883 1.614 -0.580
49 HB2 ARG 8 2HB ARG 8 7.883 2.449 0.602
50 HB3 ARG 8 1HB ARG 8 8.356 1.529 2.020
51 HG2 ARG 8 2HG ARG 8 8.946 3.836 2.331
52 HG3 ARG 8 1HG ARG 8 10.412 2.867 2.183
53 HD2 ARG 8 2HD ARG 8 10.630 3.566 -0.168
54 HD3 ARG 8 1HD ARG 8 9.159 4.527 -0.014
55 HE ARG 8 HE ARG 8 11.081 5.204 1.950
56 HH11 ARG 8 1HH1 ARG 8 10.368 5.701 -1.469
57 HH12 ARG 8 2HH1 ARG 8 11.110 7.229 -1.590
58 HH21 ARG 8 1HH2 ARG 8 12.070 7.320 1.845
59 HH22 ARG 8 2HH2 ARG 8 12.108 8.204 0.398
60 H ARG 9 H ARG 9 11.912 0.970 -0.394
61 HA ARG 9 HA ARG 9 13.892 0.311 0.479
62 HB2 ARG 9 2HB ARG 9 13.279 2.071 2.110
63 HB3 ARG 9 1HB ARG 9 12.473 0.876 3.096
64 HG2 ARG 9 2HG ARG 9 14.543 1.450 4.128
65 HG3 ARG 9 1HG ARG 9 14.693 -0.185 3.501
66 HD2 ARG 9 2HD ARG 9 15.704 2.265 2.067
67 HD3 ARG 9 1HD ARG 9 16.683 1.314 3.176
68 HE ARG 9 HE ARG 9 15.651 0.434 0.571
69 HH11 ARG 9 1HH1 ARG 9 17.982 0.069 3.230
70 HH12 ARG 9 2HH1 ARG 9 18.813 -1.207 2.481
71 HH21 ARG 9 1HH2 ARG 9 16.844 -1.289 -0.440
72 HH22 ARG 9 2HH2 ARG 9 18.162 -1.995 0.361
73 H GLY 10 H GLY 10 12.067 -1.744 -0.190
74 HA2 GLY 10 2HA GLY 10 12.400 -4.060 -0.152
75 HA3 GLY 10 1HA GLY 10 13.210 -3.902 1.398
76 H VAL 11 H VAL 11 10.686 -2.138 2.082
77 HA VAL 11 HA VAL 11 9.162 -4.416 3.092
78 HB VAL 11 HB VAL 11 8.922 -1.466 3.778
79 HG11 VAL 11 1HG1 VAL 11 7.665 -3.869 5.108
80 HG12 VAL 11 2HG1 VAL 11 6.825 -2.663 4.137
81 HG13 VAL 11 3HG1 VAL 11 7.553 -2.204 5.677
82 HG21 VAL 11 3HG2 VAL 11 11.050 -2.396 4.520
83 HG22 VAL 11 1HG2 VAL 11 10.199 -3.708 5.334
84 HG23 VAL 11 2HG2 VAL 11 10.002 -2.047 5.898
85 H CYS 12 H CYS 12 7.504 -5.046 1.846
86 HA CYS 12 HA CYS 12 6.231 -3.003 0.247
87 HB2 CYS 12 2HB CYS 12 5.965 -6.006 0.149
88 HB3 CYS 12 1HB CYS 12 5.074 -4.901 -0.899
89 H ARG 13 H ARG 13 4.356 -2.161 0.715
90 HA ARG 13 HA ARG 13 2.799 -3.387 2.864
91 HB2 ARG 13 2HB ARG 13 4.142 -1.593 3.791
92 HB3 ARG 13 1HB ARG 13 3.645 -0.508 2.508
93 HG2 ARG 13 2HG ARG 13 1.381 -0.508 3.369
94 HG3 ARG 13 1HG ARG 13 1.855 -1.660 4.624
95 HD2 ARG 13 2HD ARG 13 1.754 0.702 5.419
96 HD3 ARG 13 1HD ARG 13 3.325 -0.056 5.626
97 HE ARG 13 HE ARG 13 4.225 1.357 4.065
98 HH11 ARG 13 1HH1 ARG 13 0.704 1.829 4.066
99 HH12 ARG 13 2HH1 ARG 13 0.799 3.345 3.283
100 HH21 ARG 13 1HH2 ARG 13 4.313 3.408 3.009
101 HH22 ARG 13 2HH2 ARG 13 2.863 4.243 2.658
102 H CYS 14 H CYS 14 0.586 -3.372 2.496
103 HA CYS 14 HA CYS 14 -0.261 -2.019 0.039
104 HB2 CYS 14 2HB CYS 14 -1.569 -4.389 1.324
105 HB3 CYS 14 1HB CYS 14 -1.955 -3.681 -0.226
106 H VAL 15 H VAL 15 -1.761 -0.663 0.094
107 HA VAL 15 HA VAL 15 -3.110 -0.028 2.626
108 HB VAL 15 HB VAL 15 -3.024 1.588 0.050
109 HG11 VAL 15 1HG1 VAL 15 -4.929 2.126 1.450
110 HG12 VAL 15 2HG1 VAL 15 -3.778 3.462 1.449
111 HG13 VAL 15 3HG1 VAL 15 -3.868 2.378 2.835
112 HG21 VAL 15 3HG2 VAL 15 -1.373 3.040 1.124
113 HG22 VAL 15 1HG2 VAL 15 -0.762 1.394 0.967
114 HG23 VAL 15 2HG2 VAL 15 -1.341 1.978 2.529
115 H CYS 16 H CYS 16 -5.123 -0.890 2.774
116 HA CYS 16 HA CYS 16 -6.425 -1.496 0.253
117 HB2 CYS 16 2HB CYS 16 -6.795 -2.797 2.953
118 HB3 CYS 16 1HB CYS 16 -7.744 -3.166 1.513
119 H ARG 17 H ARG 17 -8.305 -0.745 -0.219
120 HA ARG 17 HA ARG 17 -9.832 0.676 1.815
121 HB2 ARG 17 2HB ARG 17 -8.535 2.398 0.654
122 HB3 ARG 17 1HB ARG 17 -9.110 1.797 -0.889
123 HG2 ARG 17 2HG ARG 17 -11.314 2.532 -0.486
124 HG3 ARG 17 1HG ARG 17 -10.985 2.836 1.215
125 HD2 ARG 17 2HD ARG 17 -9.686 4.306 -1.070
126 HD3 ARG 17 1HD ARG 17 -11.057 4.909 -0.143
127 HE ARG 17 HE ARG 17 -9.155 4.300 1.722
128 HH11 ARG 17 1HH1 ARG 17 -9.173 6.407 -1.121
129 HH12 ARG 17 2HH1 ARG 17 -8.125 7.559 -0.451
130 HH21 ARG 17 1HH2 ARG 17 -7.726 5.917 2.664
131 HH22 ARG 17 2HH2 ARG 17 -7.333 7.296 1.750
132 H ARG 18 H ARG 18 -11.581 -0.420 1.926
133 HA ARG 18 HA ARG 18 -13.616 -1.239 1.452
134 HB2 ARG 18 2HB ARG 18 -13.704 0.967 0.216
135 HB3 ARG 18 1HB ARG 18 -13.360 0.087 -1.255
136 HG2 ARG 18 2HG ARG 18 -15.720 0.535 -1.095
137 HG3 ARG 18 1HG ARG 18 -15.452 -1.202 -0.910
138 HD2 ARG 18 2HD ARG 18 -17.091 -0.321 0.712
139 HD3 ARG 18 1HD ARG 18 -15.677 -1.016 1.498
140 HE ARG 18 HE ARG 18 -15.238 1.711 1.144
141 HH11 ARG 18 1HH1 ARG 18 -17.360 -0.398 3.073
142 HH12 ARG 18 2HH1 ARG 18 -17.524 0.753 4.325
143 HH21 ARG 18 1HH2 ARG 18 -15.465 3.214 2.925
144 HH22 ARG 18 2HH2 ARG 18 -16.441 2.779 4.255
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -12.066 -1.833 0.583
2 HA2 GLY 1 2HA GLY 1 -12.271 -4.112 0.144
3 HA3 GLY 1 1HA GLY 1 -13.251 -3.726 -1.265
4 H VAL 2 H VAL 2 -10.668 -1.775 -1.540
5 HA VAL 2 HA VAL 2 -9.267 -3.739 -3.198
6 HB VAL 2 HB VAL 2 -9.232 -0.719 -3.435
7 HG11 VAL 2 1HG1 VAL 2 -8.178 -2.864 -5.280
8 HG12 VAL 2 2HG1 VAL 2 -7.217 -1.758 -4.299
9 HG13 VAL 2 3HG1 VAL 2 -8.196 -1.133 -5.627
10 HG21 VAL 2 3HG2 VAL 2 -10.753 -2.729 -5.091
11 HG22 VAL 2 1HG2 VAL 2 -10.615 -1.005 -5.423
12 HG23 VAL 2 2HG2 VAL 2 -11.450 -1.558 -3.967
13 H CYS 3 H CYS 3 -7.448 -4.374 -2.369
14 HA CYS 3 HA CYS 3 -6.080 -2.623 -0.505
15 HB2 CYS 3 2HB CYS 3 -5.760 -5.593 -0.954
16 HB3 CYS 3 1HB CYS 3 -4.895 -4.632 0.242
17 H ARG 4 H ARG 4 -4.408 -1.620 -1.171
18 HA ARG 4 HA ARG 4 -2.921 -2.670 -3.489
19 HB2 ARG 4 2HB ARG 4 -3.902 -0.505 -4.045
20 HB3 ARG 4 1HB ARG 4 -3.261 0.200 -2.566
21 HG2 ARG 4 2HG ARG 4 -0.959 -0.206 -3.418
22 HG3 ARG 4 1HG ARG 4 -1.652 -0.794 -4.925
23 HD2 ARG 4 2HD ARG 4 -2.606 1.363 -5.386
24 HD3 ARG 4 1HD ARG 4 -2.118 1.967 -3.804
25 HE ARG 4 HE ARG 4 0.170 1.057 -5.123
26 HH11 ARG 4 1HH1 ARG 4 -2.197 3.635 -5.585
27 HH12 ARG 4 2HH1 ARG 4 -1.080 4.759 -6.182
28 HH21 ARG 4 1HH2 ARG 4 1.712 2.580 -5.962
29 HH22 ARG 4 2HH2 ARG 4 1.196 4.130 -6.455
30 H CYS 5 H CYS 5 -0.822 -3.129 -3.149
31 HA CYS 5 HA CYS 5 0.247 -2.286 -0.581
32 HB2 CYS 5 2HB CYS 5 1.420 -4.328 -2.418
33 HB3 CYS 5 1HB CYS 5 1.851 -3.978 -0.753
34 H VAL 6 H VAL 6 1.562 -0.902 -0.468
35 HA VAL 6 HA VAL 6 2.654 0.348 -2.892
36 HB VAL 6 HB VAL 6 2.468 1.496 -0.083
37 HG11 VAL 6 1HG1 VAL 6 4.246 2.509 -1.390
38 HG12 VAL 6 2HG1 VAL 6 2.918 3.657 -1.168
39 HG13 VAL 6 3HG1 VAL 6 3.118 2.829 -2.707
40 HG21 VAL 6 3HG2 VAL 6 0.689 2.038 -2.464
41 HG22 VAL 6 1HG2 VAL 6 0.603 2.859 -0.906
42 HG23 VAL 6 2HG2 VAL 6 0.233 1.139 -1.013
43 H CYS 7 H CYS 7 4.762 0.078 -3.255
44 HA CYS 7 HA CYS 7 6.247 -1.090 -1.068
45 HB2 CYS 7 2HB CYS 7 6.856 -1.184 -4.020
46 HB3 CYS 7 1HB CYS 7 7.741 -2.019 -2.745
47 H ARG 8 H ARG 8 8.004 -0.326 -0.316
48 HA ARG 8 HA ARG 8 9.181 2.088 -1.438
49 HB2 ARG 8 2HB ARG 8 7.700 2.767 0.365
50 HB3 ARG 8 1HB ARG 8 8.392 1.553 1.427
51 HG2 ARG 8 2HG ARG 8 10.535 2.733 1.371
52 HG3 ARG 8 1HG ARG 8 9.833 3.938 0.299
53 HD2 ARG 8 2HD ARG 8 8.892 3.310 3.089
54 HD3 ARG 8 1HD ARG 8 9.878 4.694 2.635
55 HE ARG 8 HE ARG 8 7.085 4.234 1.818
56 HH11 ARG 8 1HH1 ARG 8 9.796 6.464 2.343
57 HH12 ARG 8 2HH1 ARG 8 8.851 7.863 2.162
58 HH21 ARG 8 1HH2 ARG 8 5.814 6.158 1.545
59 HH22 ARG 8 2HH2 ARG 8 6.540 7.698 1.666
60 H ARG 9 H ARG 9 11.154 1.486 -1.920
61 HA ARG 9 HA ARG 9 13.208 0.558 -1.949
62 HB2 ARG 9 2HB ARG 9 13.302 2.089 0.069
63 HB3 ARG 9 1HB ARG 9 13.008 0.683 1.070
64 HG2 ARG 9 2HG ARG 9 15.371 1.251 1.070
65 HG3 ARG 9 1HG ARG 9 15.117 -0.307 0.290
66 HD2 ARG 9 2HD ARG 9 15.339 0.677 -1.885
67 HD3 ARG 9 1HD ARG 9 15.408 2.300 -1.213
68 HE ARG 9 HE ARG 9 17.426 0.245 -0.664
69 HH11 ARG 9 1HH1 ARG 9 16.617 3.588 -1.549
70 HH12 ARG 9 2HH1 ARG 9 18.228 4.095 -1.703
71 HH21 ARG 9 1HH2 ARG 9 19.657 0.956 -0.848
72 HH22 ARG 9 2HH2 ARG 9 20.016 2.568 -1.258
73 H GLY 10 H GLY 10 11.107 -1.292 -2.118
74 HA2 GLY 10 2HA GLY 10 11.205 -3.604 -2.489
75 HA3 GLY 10 1HA GLY 10 12.609 -3.679 -1.435
76 H VAL 11 H VAL 11 10.427 -1.963 0.294
77 HA VAL 11 HA VAL 11 9.333 -4.384 1.572
78 HB VAL 11 HB VAL 11 9.630 -1.588 2.735
79 HG11 VAL 11 1HG1 VAL 11 9.175 -2.670 4.896
80 HG12 VAL 11 2HG1 VAL 11 8.897 -4.197 4.064
81 HG13 VAL 11 3HG1 VAL 11 7.824 -2.830 3.776
82 HG21 VAL 11 3HG2 VAL 11 11.476 -2.488 4.080
83 HG22 VAL 11 1HG2 VAL 11 11.828 -2.579 2.353
84 HG23 VAL 11 2HG2 VAL 11 11.340 -4.028 3.234
85 H CYS 12 H CYS 12 7.100 -4.619 1.536
86 HA CYS 12 HA CYS 12 5.711 -2.343 0.341
87 HB2 CYS 12 2HB CYS 12 5.018 -5.259 0.026
88 HB3 CYS 12 1HB CYS 12 4.220 -3.901 -0.762
89 H ARG 13 H ARG 13 4.111 -1.465 1.294
90 HA ARG 13 HA ARG 13 2.990 -2.691 3.731
91 HB2 ARG 13 2HB ARG 13 4.010 -0.469 4.032
92 HB3 ARG 13 1HB ARG 13 3.006 0.182 2.746
93 HG2 ARG 13 2HG ARG 13 2.098 0.875 4.846
94 HG3 ARG 13 1HG ARG 13 1.004 -0.309 4.138
95 HD2 ARG 13 2HD ARG 13 2.030 -2.054 5.565
96 HD3 ARG 13 1HD ARG 13 3.031 -0.805 6.308
97 HE ARG 13 HE ARG 13 0.146 -0.430 6.385
98 HH11 ARG 13 1HH1 ARG 13 3.086 -1.314 8.159
99 HH12 ARG 13 2HH1 ARG 13 2.340 -1.245 9.686
100 HH21 ARG 13 1HH2 ARG 13 -0.855 -0.294 8.494
101 HH22 ARG 13 2HH2 ARG 13 0.065 -0.635 9.878
102 H CYS 14 H CYS 14 0.857 -3.390 3.602
103 HA CYS 14 HA CYS 14 -0.543 -2.599 1.163
104 HB2 CYS 14 2HB CYS 14 -1.236 -4.860 2.981
105 HB3 CYS 14 1HB CYS 14 -1.918 -4.521 1.407
106 H VAL 15 H VAL 15 -2.151 -1.476 1.133
107 HA VAL 15 HA VAL 15 -3.490 -0.670 3.641
108 HB VAL 15 HB VAL 15 -3.010 1.061 1.184
109 HG11 VAL 15 1HG1 VAL 15 -3.827 2.918 2.572
110 HG12 VAL 15 2HG1 VAL 15 -4.176 1.774 3.869
111 HG13 VAL 15 3HG1 VAL 15 -5.050 1.668 2.343
112 HG21 VAL 15 3HG2 VAL 15 -0.912 0.687 2.370
113 HG22 VAL 15 1HG2 VAL 15 -1.657 1.205 3.882
114 HG23 VAL 15 2HG2 VAL 15 -1.444 2.360 2.566
115 H CYS 16 H CYS 16 -5.728 -0.759 3.558
116 HA CYS 16 HA CYS 16 -6.798 -1.582 0.973
117 HB2 CYS 16 2HB CYS 16 -7.803 -2.390 3.702
118 HB3 CYS 16 1HB CYS 16 -8.517 -2.828 2.152
119 H ARG 17 H ARG 17 -8.392 -0.563 0.124
120 HA ARG 17 HA ARG 17 -9.996 1.246 1.740
121 HB2 ARG 17 2HB ARG 17 -8.102 2.594 0.912
122 HB3 ARG 17 1HB ARG 17 -8.485 2.122 -0.732
123 HG2 ARG 17 2HG ARG 17 -10.564 3.324 -0.657
124 HG3 ARG 17 1HG ARG 17 -10.338 3.684 1.055
125 HD2 ARG 17 2HD ARG 17 -9.739 5.625 -0.265
126 HD3 ARG 17 1HD ARG 17 -8.304 4.967 0.505
127 HE ARG 17 HE ARG 17 -9.016 4.523 -2.310
128 HH11 ARG 17 1HH1 ARG 17 -6.514 4.997 0.181
129 HH12 ARG 17 2HH1 ARG 17 -5.271 5.322 -0.914
130 HH21 ARG 17 1HH2 ARG 17 -7.235 4.943 -3.845
131 HH22 ARG 17 2HH2 ARG 17 -5.674 5.270 -3.250
132 H ARG 18 H ARG 18 -11.985 0.706 1.335
133 HA ARG 18 HA ARG 18 -13.939 0.235 0.326
134 HB2 ARG 18 2HB ARG 18 -13.308 2.298 -0.953
135 HB3 ARG 18 1HB ARG 18 -12.575 1.278 -2.165
136 HG2 ARG 18 2HG ARG 18 -14.791 2.157 -2.821
137 HG3 ARG 18 1HG ARG 18 -14.712 0.396 -2.808
138 HD2 ARG 18 2HD ARG 18 -16.793 1.329 -1.821
139 HD3 ARG 18 1HD ARG 18 -15.886 0.297 -0.718
140 HE ARG 18 HE ARG 18 -15.061 2.919 -0.300
141 HH11 ARG 18 1HH1 ARG 18 -17.995 0.987 0.098
142 HH12 ARG 18 2HH1 ARG 18 -18.587 1.907 1.404
143 HH21 ARG 18 1HH2 ARG 18 -15.889 4.186 1.499
144 HH22 ARG 18 2HH2 ARG 18 -17.384 3.726 2.202
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -11.729 -2.827 1.143
2 HA2 GLY 1 2HA GLY 1 -11.892 -4.904 0.106
3 HA3 GLY 1 1HA GLY 1 -13.002 -4.203 -1.056
4 H VAL 2 H VAL 2 -10.887 -1.967 -1.422
5 HA VAL 2 HA VAL 2 -9.383 -3.502 -3.407
6 HB VAL 2 HB VAL 2 -9.666 -0.491 -3.196
7 HG11 VAL 2 1HG1 VAL 2 -7.693 -1.171 -4.419
8 HG12 VAL 2 2HG1 VAL 2 -8.882 -0.498 -5.533
9 HG13 VAL 2 3HG1 VAL 2 -8.661 -2.243 -5.431
10 HG21 VAL 2 3HG2 VAL 2 -11.199 -2.409 -4.957
11 HG22 VAL 2 1HG2 VAL 2 -11.284 -0.648 -5.042
12 HG23 VAL 2 2HG2 VAL 2 -11.857 -1.490 -3.603
13 H CYS 3 H CYS 3 -7.418 -4.092 -2.784
14 HA CYS 3 HA CYS 3 -6.037 -2.365 -0.899
15 HB2 CYS 3 2HB CYS 3 -5.612 -5.297 -1.487
16 HB3 CYS 3 1HB CYS 3 -4.649 -4.350 -0.364
17 H ARG 4 H ARG 4 -4.045 -1.593 -1.364
18 HA ARG 4 HA ARG 4 -2.842 -2.426 -3.900
19 HB2 ARG 4 2HB ARG 4 -3.113 0.423 -2.940
20 HB3 ARG 4 1HB ARG 4 -2.148 -0.083 -4.312
21 HG2 ARG 4 2HG ARG 4 -4.192 -0.881 -5.427
22 HG3 ARG 4 1HG ARG 4 -5.142 -0.288 -4.064
23 HD2 ARG 4 2HD ARG 4 -3.366 1.354 -5.844
24 HD3 ARG 4 1HD ARG 4 -5.127 1.323 -5.901
25 HE ARG 4 HE ARG 4 -4.847 2.074 -3.451
26 HH11 ARG 4 1HH1 ARG 4 -2.778 3.089 -6.158
27 HH12 ARG 4 2HH1 ARG 4 -2.491 4.642 -5.535
28 HH21 ARG 4 1HH2 ARG 4 -4.401 4.198 -2.582
29 HH22 ARG 4 2HH2 ARG 4 -3.416 5.291 -3.430
30 H CYS 5 H CYS 5 -0.661 -2.635 -3.829
31 HA CYS 5 HA CYS 5 0.496 -2.145 -1.210
32 HB2 CYS 5 2HB CYS 5 1.478 -3.965 -3.361
33 HB3 CYS 5 1HB CYS 5 2.202 -3.769 -1.784
34 H VAL 6 H VAL 6 2.062 -0.962 -0.866
35 HA VAL 6 HA VAL 6 3.291 0.570 -3.048
36 HB VAL 6 HB VAL 6 3.140 1.192 -0.071
37 HG11 VAL 6 1HG1 VAL 6 3.916 3.426 -0.673
38 HG12 VAL 6 2HG1 VAL 6 4.018 2.938 -2.362
39 HG13 VAL 6 3HG1 VAL 6 5.082 2.193 -1.169
40 HG21 VAL 6 3HG2 VAL 6 1.504 2.927 -0.663
41 HG22 VAL 6 1HG2 VAL 6 0.918 1.314 -1.060
42 HG23 VAL 6 2HG2 VAL 6 1.522 2.369 -2.334
43 H CYS 7 H CYS 7 5.279 -0.200 -3.490
44 HA CYS 7 HA CYS 7 6.676 -1.568 -1.339
45 HB2 CYS 7 2HB CYS 7 7.069 -1.802 -4.318
46 HB3 CYS 7 1HB CYS 7 8.052 -2.602 -3.088
47 H ARG 8 H ARG 8 8.445 -0.922 -0.580
48 HA ARG 8 HA ARG 8 9.858 1.275 -1.871
49 HB2 ARG 8 2HB ARG 8 8.338 2.196 -0.193
50 HB3 ARG 8 1HB ARG 8 8.996 1.107 1.014
51 HG2 ARG 8 2HG ARG 8 11.165 2.229 0.817
52 HG3 ARG 8 1HG ARG 8 10.463 3.339 -0.366
53 HD2 ARG 8 2HD ARG 8 8.833 4.079 1.294
54 HD3 ARG 8 1HD ARG 8 9.526 2.967 2.467
55 HE ARG 8 HE ARG 8 11.513 4.679 1.452
56 HH11 ARG 8 1HH1 ARG 8 8.766 4.659 3.662
57 HH12 ARG 8 2HH1 ARG 8 9.331 5.957 4.609
58 HH21 ARG 8 1HH2 ARG 8 12.308 6.434 2.763
59 HH22 ARG 8 2HH2 ARG 8 11.403 6.991 4.089
60 H ARG 9 H ARG 9 11.636 0.135 -2.390
61 HA ARG 9 HA ARG 9 13.602 -0.923 -2.227
62 HB2 ARG 9 2HB ARG 9 13.966 1.062 -0.740
63 HB3 ARG 9 1HB ARG 9 13.565 0.052 0.638
64 HG2 ARG 9 2HG ARG 9 15.518 -1.387 0.079
65 HG3 ARG 9 1HG ARG 9 15.928 -0.255 -1.214
66 HD2 ARG 9 2HD ARG 9 15.744 0.385 1.725
67 HD3 ARG 9 1HD ARG 9 17.230 0.216 0.792
68 HE ARG 9 HE ARG 9 16.389 2.130 -0.546
69 HH11 ARG 9 1HH1 ARG 9 15.351 1.756 2.844
70 HH12 ARG 9 2HH1 ARG 9 15.133 3.405 3.124
71 HH21 ARG 9 1HH2 ARG 9 16.041 4.409 -0.169
72 HH22 ARG 9 2HH2 ARG 9 15.512 4.977 1.337
73 H GLY 10 H GLY 10 11.539 -2.639 -2.017
74 HA2 GLY 10 2HA GLY 10 11.556 -4.970 -1.729
75 HA3 GLY 10 1HA GLY 10 12.742 -4.767 -0.447
76 H VAL 11 H VAL 11 10.876 -2.589 0.660
77 HA VAL 11 HA VAL 11 9.328 -4.481 2.234
78 HB VAL 11 HB VAL 11 9.731 -1.501 2.647
79 HG11 VAL 11 1HG1 VAL 11 8.894 -1.912 4.923
80 HG12 VAL 11 2HG1 VAL 11 8.602 -3.600 4.508
81 HG13 VAL 11 3HG1 VAL 11 7.689 -2.326 3.701
82 HG21 VAL 11 3HG2 VAL 11 11.842 -2.694 2.856
83 HG22 VAL 11 1HG2 VAL 11 11.111 -3.820 3.998
84 HG23 VAL 11 2HG2 VAL 11 11.294 -2.121 4.431
85 H CYS 12 H CYS 12 7.375 -4.911 1.497
86 HA CYS 12 HA CYS 12 6.012 -2.776 0.075
87 HB2 CYS 12 2HB CYS 12 5.517 -5.752 0.009
88 HB3 CYS 12 1HB CYS 12 4.548 -4.558 -0.843
89 H ARG 13 H ARG 13 4.505 -1.765 0.979
90 HA ARG 13 HA ARG 13 3.172 -2.935 3.304
91 HB2 ARG 13 2HB ARG 13 4.675 -1.040 3.810
92 HB3 ARG 13 1HB ARG 13 3.801 -0.049 2.661
93 HG2 ARG 13 2HG ARG 13 1.878 0.001 4.051
94 HG3 ARG 13 1HG ARG 13 2.545 -1.249 5.113
95 HD2 ARG 13 2HD ARG 13 3.749 1.482 4.683
96 HD3 ARG 13 1HD ARG 13 2.774 1.009 6.080
97 HE ARG 13 HE ARG 13 4.757 -0.855 5.941
98 HH11 ARG 13 1HH1 ARG 13 4.780 2.664 6.235
99 HH12 ARG 13 2HH1 ARG 13 6.191 2.720 7.185
100 HH21 ARG 13 1HH2 ARG 13 6.685 -0.805 7.228
101 HH22 ARG 13 2HH2 ARG 13 7.317 0.680 7.750
102 H CYS 14 H CYS 14 1.030 -3.196 3.052
103 HA CYS 14 HA CYS 14 -0.107 -2.019 0.631
104 HB2 CYS 14 2HB CYS 14 -1.061 -4.493 2.034
105 HB3 CYS 14 1HB CYS 14 -1.531 -3.920 0.438
106 H VAL 15 H VAL 15 -1.867 -0.925 0.675
107 HA VAL 15 HA VAL 15 -3.153 -0.458 3.283
108 HB VAL 15 HB VAL 15 -2.885 1.521 0.988
109 HG11 VAL 15 1HG1 VAL 15 -3.910 1.911 3.793
110 HG12 VAL 15 2HG1 VAL 15 -4.879 1.885 2.319
111 HG13 VAL 15 3HG1 VAL 15 -3.712 3.182 2.588
112 HG21 VAL 15 3HG2 VAL 15 -1.381 1.465 3.606
113 HG22 VAL 15 1HG2 VAL 15 -1.307 2.759 2.410
114 HG23 VAL 15 2HG2 VAL 15 -0.697 1.153 2.012
115 H CYS 16 H CYS 16 -5.395 -0.605 3.254
116 HA CYS 16 HA CYS 16 -6.512 -1.308 0.659
117 HB2 CYS 16 2HB CYS 16 -7.363 -2.290 3.383
118 HB3 CYS 16 1HB CYS 16 -8.127 -2.699 1.855
119 H ARG 17 H ARG 17 -8.419 -0.498 0.060
120 HA ARG 17 HA ARG 17 -9.885 1.084 1.976
121 HB2 ARG 17 2HB ARG 17 -8.566 2.758 0.722
122 HB3 ARG 17 1HB ARG 17 -9.235 2.154 -0.792
123 HG2 ARG 17 2HG ARG 17 -11.432 2.856 -0.205
124 HG3 ARG 17 1HG ARG 17 -10.939 3.219 1.439
125 HD2 ARG 17 2HD ARG 17 -11.199 5.256 0.246
126 HD3 ARG 17 1HD ARG 17 -9.484 5.025 0.566
127 HE ARG 17 HE ARG 17 -9.538 4.154 -1.880
128 HH11 ARG 17 1HH1 ARG 17 -11.574 6.815 -0.623
129 HH12 ARG 17 2HH1 ARG 17 -11.549 7.673 -2.095
130 HH21 ARG 17 1HH2 ARG 17 -9.527 5.407 -3.886
131 HH22 ARG 17 2HH2 ARG 17 -10.393 6.877 -3.952
132 H ARG 18 H ARG 18 -11.581 0.056 2.171
133 HA ARG 18 HA ARG 18 -13.430 -1.178 1.875
134 HB2 ARG 18 2HB ARG 18 -14.111 1.142 1.213
135 HB3 ARG 18 1HB ARG 18 -13.888 0.684 -0.469
136 HG2 ARG 18 2HG ARG 18 -15.637 -1.027 -0.228
137 HG3 ARG 18 1HG ARG 18 -15.844 -0.581 1.462
138 HD2 ARG 18 2HD ARG 18 -17.592 0.463 0.190
139 HD3 ARG 18 1HD ARG 18 -16.471 1.706 0.725
140 HE ARG 18 HE ARG 18 -15.766 0.778 -1.840
141 HH11 ARG 18 1HH1 ARG 18 -18.186 2.791 -0.226
142 HH12 ARG 18 2HH1 ARG 18 -18.513 3.761 -1.582
143 HH21 ARG 18 1HH2 ARG 18 -16.202 2.112 -3.737
144 HH22 ARG 18 2HH2 ARG 18 -17.339 3.362 -3.637
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -12.209 -2.082 1.304
2 HA2 GLY 1 2HA GLY 1 -12.604 -4.334 0.740
3 HA3 GLY 1 1HA GLY 1 -13.694 -3.788 -0.523
4 H VAL 2 H VAL 2 -11.046 -1.939 -0.932
5 HA VAL 2 HA VAL 2 -9.948 -3.779 -2.937
6 HB VAL 2 HB VAL 2 -9.756 -0.752 -2.858
7 HG11 VAL 2 1HG1 VAL 2 -9.077 -2.708 -5.051
8 HG12 VAL 2 2HG1 VAL 2 -7.932 -1.782 -4.081
9 HG13 VAL 2 3HG1 VAL 2 -9.020 -0.951 -5.198
10 HG21 VAL 2 3HG2 VAL 2 -12.083 -1.411 -3.206
11 HG22 VAL 2 1HG2 VAL 2 -11.597 -2.473 -4.529
12 HG23 VAL 2 2HG2 VAL 2 -11.408 -0.728 -4.686
13 H CYS 3 H CYS 3 -7.854 -4.369 -2.716
14 HA CYS 3 HA CYS 3 -6.386 -3.097 -0.562
15 HB2 CYS 3 2HB CYS 3 -5.965 -5.793 -1.868
16 HB3 CYS 3 1HB CYS 3 -4.978 -5.135 -0.566
17 H ARG 4 H ARG 4 -4.529 -2.087 -0.895
18 HA ARG 4 HA ARG 4 -3.397 -2.095 -3.602
19 HB2 ARG 4 2HB ARG 4 -4.699 -0.020 -3.151
20 HB3 ARG 4 1HB ARG 4 -3.683 0.285 -1.749
21 HG2 ARG 4 2HG ARG 4 -1.718 0.402 -3.262
22 HG3 ARG 4 1HG ARG 4 -2.815 0.249 -4.633
23 HD2 ARG 4 2HD ARG 4 -2.796 2.464 -2.583
24 HD3 ARG 4 1HD ARG 4 -2.250 2.584 -4.256
25 HE ARG 4 HE ARG 4 -4.953 1.721 -4.067
26 HH11 ARG 4 1HH1 ARG 4 -2.930 4.631 -4.030
27 HH12 ARG 4 2HH1 ARG 4 -4.191 5.682 -4.467
28 HH21 ARG 4 1HH2 ARG 4 -6.657 3.126 -4.650
29 HH22 ARG 4 2HH2 ARG 4 -6.405 4.798 -4.831
30 H CYS 5 H CYS 5 -1.167 -2.260 -3.610
31 HA CYS 5 HA CYS 5 0.060 -2.270 -0.965
32 HB2 CYS 5 2HB CYS 5 1.072 -3.647 -3.416
33 HB3 CYS 5 1HB CYS 5 1.779 -3.738 -1.816
34 H VAL 6 H VAL 6 1.518 -1.025 -0.477
35 HA VAL 6 HA VAL 6 2.499 0.897 -2.471
36 HB VAL 6 HB VAL 6 2.522 1.157 0.556
37 HG11 VAL 6 1HG1 VAL 6 4.201 2.509 -0.548
38 HG12 VAL 6 2HG1 VAL 6 2.932 3.528 0.136
39 HG13 VAL 6 3HG1 VAL 6 2.972 3.211 -1.601
40 HG21 VAL 6 3HG2 VAL 6 0.556 2.348 -1.403
41 HG22 VAL 6 1HG2 VAL 6 0.628 2.709 0.322
42 HG23 VAL 6 2HG2 VAL 6 0.210 1.083 -0.228
43 H CYS 7 H CYS 7 4.541 0.517 -3.084
44 HA CYS 7 HA CYS 7 6.193 -1.014 -1.242
45 HB2 CYS 7 2HB CYS 7 6.352 -0.916 -4.252
46 HB3 CYS 7 1HB CYS 7 7.471 -1.768 -3.186
47 H ARG 8 H ARG 8 7.982 -0.276 -0.566
48 HA ARG 8 HA ARG 8 9.247 1.975 -1.909
49 HB2 ARG 8 2HB ARG 8 7.865 3.054 -0.228
50 HB3 ARG 8 1HB ARG 8 8.473 1.975 1.016
51 HG2 ARG 8 2HG ARG 8 9.502 4.162 1.197
52 HG3 ARG 8 1HG ARG 8 10.704 2.948 0.764
53 HD2 ARG 8 2HD ARG 8 10.446 3.657 -1.619
54 HD3 ARG 8 1HD ARG 8 9.388 4.953 -1.069
55 HE ARG 8 HE ARG 8 11.801 5.022 0.346
56 HH11 ARG 8 1HH1 ARG 8 10.490 5.777 -2.861
57 HH12 ARG 8 2HH1 ARG 8 11.688 6.935 -3.229
58 HH21 ARG 8 1HH2 ARG 8 13.479 6.600 -0.221
59 HH22 ARG 8 2HH2 ARG 8 13.417 7.378 -1.728
60 H ARG 9 H ARG 9 11.192 1.331 -2.313
61 HA ARG 9 HA ARG 9 13.255 0.471 -2.202
62 HB2 ARG 9 2HB ARG 9 13.302 2.083 -0.239
63 HB3 ARG 9 1HB ARG 9 12.971 0.712 0.808
64 HG2 ARG 9 2HG ARG 9 15.067 -0.314 0.180
65 HG3 ARG 9 1HG ARG 9 15.385 0.983 -0.972
66 HD2 ARG 9 2HD ARG 9 16.644 1.363 1.047
67 HD3 ARG 9 1HD ARG 9 15.391 2.592 0.894
68 HE ARG 9 HE ARG 9 14.656 0.302 2.482
69 HH11 ARG 9 1HH1 ARG 9 16.125 3.524 2.571
70 HH12 ARG 9 2HH1 ARG 9 15.827 3.765 4.223
71 HH21 ARG 9 1HH2 ARG 9 14.278 0.622 4.731
72 HH22 ARG 9 2HH2 ARG 9 14.775 2.066 5.495
73 H GLY 10 H GLY 10 11.091 -1.293 -2.339
74 HA2 GLY 10 2HA GLY 10 11.132 -3.623 -2.642
75 HA3 GLY 10 1HA GLY 10 12.453 -3.716 -1.486
76 H VAL 11 H VAL 11 10.715 -1.913 0.299
77 HA VAL 11 HA VAL 11 9.415 -4.106 1.657
78 HB VAL 11 HB VAL 11 9.590 -1.167 2.402
79 HG11 VAL 11 1HG1 VAL 11 8.937 -1.907 4.658
80 HG12 VAL 11 2HG1 VAL 11 8.709 -3.544 4.045
81 HG13 VAL 11 3HG1 VAL 11 7.683 -2.239 3.464
82 HG21 VAL 11 3HG2 VAL 11 11.198 -3.515 3.402
83 HG22 VAL 11 1HG2 VAL 11 11.297 -1.859 3.997
84 HG23 VAL 11 2HG2 VAL 11 11.784 -2.231 2.340
85 H CYS 12 H CYS 12 7.474 -4.650 1.007
86 HA CYS 12 HA CYS 12 5.801 -2.549 -0.066
87 HB2 CYS 12 2HB CYS 12 5.637 -5.538 -0.423
88 HB3 CYS 12 1HB CYS 12 4.411 -4.425 -1.021
89 H ARG 13 H ARG 13 4.051 -1.924 0.956
90 HA ARG 13 HA ARG 13 3.100 -3.499 3.262
91 HB2 ARG 13 2HB ARG 13 2.933 -0.492 2.886
92 HB3 ARG 13 1HB ARG 13 2.439 -1.392 4.307
93 HG2 ARG 13 2HG ARG 13 4.780 -2.009 4.715
94 HG3 ARG 13 1HG ARG 13 5.267 -1.077 3.302
95 HD2 ARG 13 2HD ARG 13 5.637 0.283 5.230
96 HD3 ARG 13 1HD ARG 13 4.230 0.931 4.389
97 HE ARG 13 HE ARG 13 3.875 -0.916 6.625
98 HH11 ARG 13 1HH1 ARG 13 3.307 2.319 5.254
99 HH12 ARG 13 2HH1 ARG 13 2.402 2.839 6.600
100 HH21 ARG 13 1HH2 ARG 13 2.653 -0.087 8.492
101 HH22 ARG 13 2HH2 ARG 13 2.062 1.517 8.411
102 H CYS 14 H CYS 14 1.167 -4.372 2.744
103 HA CYS 14 HA CYS 14 -0.448 -2.983 0.771
104 HB2 CYS 14 2HB CYS 14 -0.851 -5.724 1.916
105 HB3 CYS 14 1HB CYS 14 -1.727 -5.025 0.565
106 H VAL 15 H VAL 15 -2.267 -2.160 1.065
107 HA VAL 15 HA VAL 15 -3.378 -1.994 3.795
108 HB VAL 15 HB VAL 15 -3.177 0.221 1.719
109 HG11 VAL 15 1HG1 VAL 15 -4.134 0.327 4.563
110 HG12 VAL 15 2HG1 VAL 15 -5.133 0.456 3.115
111 HG13 VAL 15 3HG1 VAL 15 -3.945 1.707 3.483
112 HG21 VAL 15 3HG2 VAL 15 -0.975 -0.229 2.631
113 HG22 VAL 15 1HG2 VAL 15 -1.608 -0.118 4.276
114 HG23 VAL 15 2HG2 VAL 15 -1.586 1.311 3.246
115 H CYS 16 H CYS 16 -5.632 -2.208 3.826
116 HA CYS 16 HA CYS 16 -6.893 -2.409 1.194
117 HB2 CYS 16 2HB CYS 16 -7.618 -4.026 3.639
118 HB3 CYS 16 1HB CYS 16 -8.411 -4.035 2.060
119 H ARG 17 H ARG 17 -8.540 -1.224 0.822
120 HA ARG 17 HA ARG 17 -10.117 -0.250 3.028
121 HB2 ARG 17 2HB ARG 17 -9.835 2.088 2.634
122 HB3 ARG 17 1HB ARG 17 -8.241 1.393 2.791
123 HG2 ARG 17 2HG ARG 17 -7.936 1.456 0.380
124 HG3 ARG 17 1HG ARG 17 -9.561 2.107 0.176
125 HD2 ARG 17 2HD ARG 17 -8.865 4.031 1.639
126 HD3 ARG 17 1HD ARG 17 -7.221 3.404 1.551
127 HE ARG 17 HE ARG 17 -8.406 3.757 -1.011
128 HH11 ARG 17 1HH1 ARG 17 -6.771 5.492 1.586
129 HH12 ARG 17 2HH1 ARG 17 -6.144 6.707 0.562
130 HH21 ARG 17 1HH2 ARG 17 -7.666 5.458 -2.373
131 HH22 ARG 17 2HH2 ARG 17 -6.720 6.725 -1.733
132 H ARG 18 H ARG 18 -12.198 0.251 2.448
133 HA ARG 18 HA ARG 18 -14.118 0.200 1.242
134 HB2 ARG 18 2HB ARG 18 -13.155 2.168 0.093
135 HB3 ARG 18 1HB ARG 18 -12.288 1.114 -1.005
136 HG2 ARG 18 2HG ARG 18 -14.461 0.337 -1.894
137 HG3 ARG 18 1HG ARG 18 -15.265 1.493 -0.836
138 HD2 ARG 18 2HD ARG 18 -14.291 3.320 -1.956
139 HD3 ARG 18 1HD ARG 18 -13.196 2.274 -2.867
140 HE ARG 18 HE ARG 18 -15.509 1.330 -3.659
141 HH11 ARG 18 1HH1 ARG 18 -14.612 4.727 -3.233
142 HH12 ARG 18 2HH1 ARG 18 -15.596 5.302 -4.479
143 HH21 ARG 18 1HH2 ARG 18 -16.823 2.079 -5.394
144 HH22 ARG 18 2HH2 ARG 18 -16.897 3.729 -5.780
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -11.771 -2.350 0.725
2 HA2 GLY 1 2HA GLY 1 -12.331 -4.400 -0.280
3 HA3 GLY 1 1HA GLY 1 -13.214 -3.523 -1.508
4 H VAL 2 H VAL 2 -10.482 -1.825 -1.566
5 HA VAL 2 HA VAL 2 -9.211 -3.729 -3.416
6 HB VAL 2 HB VAL 2 -9.159 -0.696 -3.579
7 HG11 VAL 2 1HG1 VAL 2 -8.111 -1.037 -5.768
8 HG12 VAL 2 2HG1 VAL 2 -8.120 -2.778 -5.495
9 HG13 VAL 2 3HG1 VAL 2 -7.136 -1.734 -4.470
10 HG21 VAL 2 3HG2 VAL 2 -10.568 -0.938 -5.571
11 HG22 VAL 2 1HG2 VAL 2 -11.373 -1.568 -4.133
12 HG23 VAL 2 2HG2 VAL 2 -10.654 -2.677 -5.301
13 H CYS 3 H CYS 3 -7.237 -4.369 -2.822
14 HA CYS 3 HA CYS 3 -5.811 -2.730 -0.860
15 HB2 CYS 3 2HB CYS 3 -5.574 -5.685 -1.419
16 HB3 CYS 3 1HB CYS 3 -4.611 -4.793 -0.251
17 H ARG 4 H ARG 4 -4.130 -1.702 -1.497
18 HA ARG 4 HA ARG 4 -2.674 -2.732 -3.847
19 HB2 ARG 4 2HB ARG 4 -2.927 0.122 -2.894
20 HB3 ARG 4 1HB ARG 4 -1.893 -0.406 -4.215
21 HG2 ARG 4 2HG ARG 4 -3.910 -1.148 -5.438
22 HG3 ARG 4 1HG ARG 4 -4.900 -0.499 -4.126
23 HD2 ARG 4 2HD ARG 4 -3.918 1.708 -4.492
24 HD3 ARG 4 1HD ARG 4 -2.948 1.055 -5.806
25 HE ARG 4 HE ARG 4 -5.657 0.521 -6.268
26 HH11 ARG 4 1HH1 ARG 4 -3.332 3.183 -6.342
27 HH12 ARG 4 2HH1 ARG 4 -4.222 4.155 -7.416
28 HH21 ARG 4 1HH2 ARG 4 -6.919 1.862 -7.771
29 HH22 ARG 4 2HH2 ARG 4 -6.290 3.376 -8.240
30 H CYS 5 H CYS 5 -0.476 -2.972 -3.649
31 HA CYS 5 HA CYS 5 0.544 -2.332 -0.988
32 HB2 CYS 5 2HB CYS 5 1.571 -4.523 -2.743
33 HB3 CYS 5 1HB CYS 5 2.020 -4.161 -1.086
34 H VAL 6 H VAL 6 2.017 -1.080 -0.856
35 HA VAL 6 HA VAL 6 3.359 -0.110 -3.289
36 HB VAL 6 HB VAL 6 3.025 1.365 -0.654
37 HG11 VAL 6 1HG1 VAL 6 3.723 3.342 -1.934
38 HG12 VAL 6 2HG1 VAL 6 3.972 2.327 -3.354
39 HG13 VAL 6 3HG1 VAL 6 4.969 2.094 -1.917
40 HG21 VAL 6 3HG2 VAL 6 1.348 2.754 -1.812
41 HG22 VAL 6 1HG2 VAL 6 0.847 1.064 -1.714
42 HG23 VAL 6 2HG2 VAL 6 1.478 1.713 -3.227
43 H CYS 7 H CYS 7 5.498 -0.371 -3.396
44 HA CYS 7 HA CYS 7 6.728 -1.488 -1.010
45 HB2 CYS 7 2HB CYS 7 7.518 -1.932 -3.888
46 HB3 CYS 7 1HB CYS 7 8.223 -2.705 -2.469
47 H ARG 8 H ARG 8 8.423 -0.722 -0.184
48 HA ARG 8 HA ARG 8 9.783 1.536 -1.470
49 HB2 ARG 8 2HB ARG 8 8.323 2.345 0.304
50 HB3 ARG 8 1HB ARG 8 8.991 1.165 1.420
51 HG2 ARG 8 2HG ARG 8 11.143 2.280 1.339
52 HG3 ARG 8 1HG ARG 8 10.501 3.456 0.187
53 HD2 ARG 8 2HD ARG 8 8.825 4.145 1.822
54 HD3 ARG 8 1HD ARG 8 9.474 2.987 2.976
55 HE ARG 8 HE ARG 8 11.611 4.340 2.656
56 HH11 ARG 8 1HH1 ARG 8 8.363 5.749 2.507
57 HH12 ARG 8 2HH1 ARG 8 8.810 7.204 3.272
58 HH21 ARG 8 1HH2 ARG 8 12.213 6.405 3.672
59 HH22 ARG 8 2HH2 ARG 8 10.994 7.579 3.929
60 H ARG 9 H ARG 9 11.658 0.682 -2.039
61 HA ARG 9 HA ARG 9 13.613 -0.372 -2.047
62 HB2 ARG 9 2HB ARG 9 14.056 1.262 -0.224
63 HB3 ARG 9 1HB ARG 9 13.529 0.078 0.956
64 HG2 ARG 9 2HG ARG 9 15.425 -1.378 0.294
65 HG3 ARG 9 1HG ARG 9 15.938 -0.157 -0.865
66 HD2 ARG 9 2HD ARG 9 15.732 0.251 2.117
67 HD3 ARG 9 1HD ARG 9 17.224 -0.072 1.239
68 HE ARG 9 HE ARG 9 16.330 2.076 -0.021
69 HH11 ARG 9 1HH1 ARG 9 16.644 1.425 3.449
70 HH12 ARG 9 2HH1 ARG 9 16.902 3.044 3.881
71 HH21 ARG 9 1HH2 ARG 9 16.682 4.304 0.576
72 HH22 ARG 9 2HH2 ARG 9 16.851 4.739 2.209
73 H GLY 10 H GLY 10 11.425 -1.969 -2.138
74 HA2 GLY 10 2HA GLY 10 11.229 -4.286 -2.359
75 HA3 GLY 10 1HA GLY 10 12.596 -4.477 -1.274
76 H VAL 11 H VAL 11 10.972 -2.491 0.528
77 HA VAL 11 HA VAL 11 9.614 -4.611 1.984
78 HB VAL 11 HB VAL 11 9.948 -1.685 2.718
79 HG11 VAL 11 1HG1 VAL 11 9.232 -4.070 4.422
80 HG12 VAL 11 2HG1 VAL 11 8.138 -2.777 3.933
81 HG13 VAL 11 3HG1 VAL 11 9.488 -2.430 5.015
82 HG21 VAL 11 3HG2 VAL 11 11.640 -4.042 3.535
83 HG22 VAL 11 1HG2 VAL 11 11.809 -2.395 4.141
84 HG23 VAL 11 2HG2 VAL 11 12.128 -2.743 2.443
85 H CYS 12 H CYS 12 7.535 -4.968 1.560
86 HA CYS 12 HA CYS 12 6.084 -2.812 0.254
87 HB2 CYS 12 2HB CYS 12 5.504 -5.771 0.272
88 HB3 CYS 12 1HB CYS 12 4.598 -4.552 -0.615
89 H ARG 13 H ARG 13 4.489 -1.813 1.218
90 HA ARG 13 HA ARG 13 3.181 -3.194 3.445
91 HB2 ARG 13 2HB ARG 13 2.560 -0.985 4.380
92 HB3 ARG 13 1HB ARG 13 4.301 -1.156 4.272
93 HG2 ARG 13 2HG ARG 13 4.394 0.317 2.385
94 HG3 ARG 13 1HG ARG 13 2.635 0.335 2.255
95 HD2 ARG 13 2HD ARG 13 3.426 2.386 3.320
96 HD3 ARG 13 1HD ARG 13 2.484 1.420 4.445
97 HE ARG 13 HE ARG 13 5.346 1.052 4.540
98 HH11 ARG 13 1HH1 ARG 13 2.591 2.842 5.880
99 HH12 ARG 13 2HH1 ARG 13 3.358 3.217 7.353
100 HH21 ARG 13 1HH2 ARG 13 6.404 1.610 6.569
101 HH22 ARG 13 2HH2 ARG 13 5.561 2.512 7.748
102 H CYS 14 H CYS 14 0.961 -3.311 3.394
103 HA CYS 14 HA CYS 14 -0.155 -2.486 0.830
104 HB2 CYS 14 2HB CYS 14 -1.156 -4.689 2.619
105 HB3 CYS 14 1HB CYS 14 -1.767 -4.270 1.035
106 H VAL 15 H VAL 15 -1.900 -1.388 0.671
107 HA VAL 15 HA VAL 15 -3.152 -0.409 3.128
108 HB VAL 15 HB VAL 15 -2.746 1.110 0.525
109 HG11 VAL 15 1HG1 VAL 15 -3.617 3.059 1.735
110 HG12 VAL 15 2HG1 VAL 15 -3.905 2.051 3.151
111 HG13 VAL 15 3HG1 VAL 15 -4.800 1.753 1.662
112 HG21 VAL 15 3HG2 VAL 15 -0.632 0.883 1.726
113 HG22 VAL 15 1HG2 VAL 15 -1.378 1.513 3.192
114 HG23 VAL 15 2HG2 VAL 15 -1.198 2.555 1.781
115 H CYS 16 H CYS 16 -5.122 -1.195 3.212
116 HA CYS 16 HA CYS 16 -6.460 -1.779 0.715
117 HB2 CYS 16 2HB CYS 16 -7.197 -2.648 3.514
118 HB3 CYS 16 1HB CYS 16 -8.070 -3.025 2.020
119 H ARG 17 H ARG 17 -8.014 -0.695 0.007
120 HA ARG 17 HA ARG 17 -9.359 1.230 1.719
121 HB2 ARG 17 2HB ARG 17 -7.671 2.497 0.529
122 HB3 ARG 17 1HB ARG 17 -8.160 1.790 -0.999
123 HG2 ARG 17 2HG ARG 17 -8.976 4.069 -0.801
124 HG3 ARG 17 1HG ARG 17 -10.318 2.925 -0.843
125 HD2 ARG 17 2HD ARG 17 -10.425 3.058 1.640
126 HD3 ARG 17 1HD ARG 17 -9.190 4.317 1.591
127 HE ARG 17 HE ARG 17 -11.142 5.166 -0.103
128 HH11 ARG 17 1HH1 ARG 17 -11.034 4.288 3.331
129 HH12 ARG 17 2HH1 ARG 17 -12.315 5.300 3.791
130 HH21 ARG 17 1HH2 ARG 17 -12.929 6.574 0.526
131 HH22 ARG 17 2HH2 ARG 17 -13.417 6.624 2.158
132 H ARG 18 H ARG 18 -11.245 0.327 1.818
133 HA ARG 18 HA ARG 18 -13.314 -0.352 1.342
134 HB2 ARG 18 2HB ARG 18 -13.268 2.039 0.560
135 HB3 ARG 18 1HB ARG 18 -13.020 1.444 -1.071
136 HG2 ARG 18 2HG ARG 18 -15.179 0.342 -1.028
137 HG3 ARG 18 1HG ARG 18 -15.421 0.845 0.648
138 HD2 ARG 18 2HD ARG 18 -15.299 3.200 -0.076
139 HD3 ARG 18 1HD ARG 18 -15.138 2.649 -1.744
140 HE ARG 18 HE ARG 18 -17.395 1.457 -0.765
141 HH11 ARG 18 1HH1 ARG 18 -16.280 4.788 -1.342
142 HH12 ARG 18 2HH1 ARG 18 -17.832 5.419 -1.559
143 HH21 ARG 18 1HH2 ARG 18 -19.569 2.369 -1.074
144 HH22 ARG 18 2HH2 ARG 18 -19.728 4.032 -1.405
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -12.033 -2.947 0.403
2 HA2 GLY 1 2HA GLY 1 -12.110 -4.995 -0.731
3 HA3 GLY 1 1HA GLY 1 -13.140 -4.263 -1.947
4 H VAL 2 H VAL 2 -10.902 -2.011 -1.766
5 HA VAL 2 HA VAL 2 -9.301 -3.290 -3.857
6 HB VAL 2 HB VAL 2 -9.600 -0.339 -3.214
7 HG11 VAL 2 1HG1 VAL 2 -8.290 -1.693 -5.570
8 HG12 VAL 2 2HG1 VAL 2 -7.466 -0.824 -4.276
9 HG13 VAL 2 3HG1 VAL 2 -8.523 0.045 -5.390
10 HG21 VAL 2 3HG2 VAL 2 -10.954 -0.207 -5.274
11 HG22 VAL 2 1HG2 VAL 2 -11.702 -1.235 -4.051
12 HG23 VAL 2 2HG2 VAL 2 -10.868 -1.956 -5.428
13 H CYS 3 H CYS 3 -7.291 -3.886 -3.327
14 HA CYS 3 HA CYS 3 -6.147 -2.603 -1.004
15 HB2 CYS 3 2HB CYS 3 -5.690 -5.388 -2.095
16 HB3 CYS 3 1HB CYS 3 -4.677 -4.663 -0.859
17 H ARG 4 H ARG 4 -4.405 -1.444 -1.301
18 HA ARG 4 HA ARG 4 -2.967 -1.618 -3.845
19 HB2 ARG 4 2HB ARG 4 -4.203 0.474 -3.529
20 HB3 ARG 4 1HB ARG 4 -3.409 0.717 -1.986
21 HG2 ARG 4 2HG ARG 4 -1.270 0.985 -3.111
22 HG3 ARG 4 1HG ARG 4 -2.045 0.696 -4.674
23 HD2 ARG 4 2HD ARG 4 -3.446 2.647 -4.365
24 HD3 ARG 4 1HD ARG 4 -2.747 2.927 -2.776
25 HE ARG 4 HE ARG 4 -0.620 2.929 -4.450
26 HH11 ARG 4 1HH1 ARG 4 -3.686 4.700 -4.450
27 HH12 ARG 4 2HH1 ARG 4 -3.028 6.145 -5.044
28 HH21 ARG 4 1HH2 ARG 4 0.300 4.974 -5.297
29 HH22 ARG 4 2HH2 ARG 4 -0.760 6.293 -5.548
30 H CYS 5 H CYS 5 -1.097 -2.641 -3.513
31 HA CYS 5 HA CYS 5 0.294 -2.220 -0.969
32 HB2 CYS 5 2HB CYS 5 0.839 -4.301 -3.081
33 HB3 CYS 5 1HB CYS 5 1.563 -4.209 -1.483
34 H VAL 6 H VAL 6 2.273 -1.380 -0.923
35 HA VAL 6 HA VAL 6 3.531 -0.635 -3.445
36 HB VAL 6 HB VAL 6 2.244 1.338 -2.646
37 HG11 VAL 6 1HG1 VAL 6 2.231 0.963 -0.282
38 HG12 VAL 6 2HG1 VAL 6 2.925 2.545 -0.626
39 HG13 VAL 6 3HG1 VAL 6 3.976 1.192 -0.200
40 HG21 VAL 6 3HG2 VAL 6 5.237 1.691 -2.483
41 HG22 VAL 6 1HG2 VAL 6 4.076 3.000 -2.702
42 HG23 VAL 6 2HG2 VAL 6 4.249 1.759 -3.939
43 H CYS 7 H CYS 7 5.796 -0.676 -3.366
44 HA CYS 7 HA CYS 7 6.782 -1.775 -0.880
45 HB2 CYS 7 2HB CYS 7 7.999 -2.038 -3.630
46 HB3 CYS 7 1HB CYS 7 8.626 -2.716 -2.123
47 H ARG 8 H ARG 8 8.142 -0.912 0.289
48 HA ARG 8 HA ARG 8 9.489 1.535 -0.552
49 HB2 ARG 8 2HB ARG 8 7.658 2.065 0.944
50 HB3 ARG 8 1HB ARG 8 8.166 0.822 2.069
51 HG2 ARG 8 2HG ARG 8 8.727 3.043 2.897
52 HG3 ARG 8 1HG ARG 8 10.181 2.099 2.577
53 HD2 ARG 8 2HD ARG 8 10.593 3.279 0.562
54 HD3 ARG 8 1HD ARG 8 9.039 4.108 0.636
55 HE ARG 8 HE ARG 8 10.219 4.798 2.946
56 HH11 ARG 8 1HH1 ARG 8 11.410 4.901 -0.376
57 HH12 ARG 8 2HH1 ARG 8 12.318 6.317 -0.184
58 HH21 ARG 8 1HH2 ARG 8 11.397 6.780 3.239
59 HH22 ARG 8 2HH2 ARG 8 12.310 7.432 1.970
60 H ARG 9 H ARG 9 11.349 0.427 -1.057
61 HA ARG 9 HA ARG 9 13.397 -0.404 -0.750
62 HB2 ARG 9 2HB ARG 9 13.489 1.639 0.648
63 HB3 ARG 9 1HB ARG 9 13.052 0.686 2.056
64 HG2 ARG 9 2HG ARG 9 15.445 1.157 2.004
65 HG3 ARG 9 1HG ARG 9 15.149 -0.575 1.833
66 HD2 ARG 9 2HD ARG 9 16.885 0.228 0.291
67 HD3 ARG 9 1HD ARG 9 15.488 -0.425 -0.561
68 HE ARG 9 HE ARG 9 15.750 2.464 -0.131
69 HH11 ARG 9 1HH1 ARG 9 15.486 -0.273 -2.389
70 HH12 ARG 9 2HH1 ARG 9 15.332 0.710 -3.756
71 HH21 ARG 9 1HH2 ARG 9 15.541 3.785 -2.033
72 HH22 ARG 9 2HH2 ARG 9 15.370 3.063 -3.562
73 H GLY 10 H GLY 10 11.713 -2.388 -0.744
74 HA2 GLY 10 2HA GLY 10 12.019 -4.681 -0.349
75 HA3 GLY 10 1HA GLY 10 12.939 -4.293 1.092
76 H VAL 11 H VAL 11 10.629 -2.380 1.819
77 HA VAL 11 HA VAL 11 9.057 -4.452 3.149
78 HB VAL 11 HB VAL 11 9.116 -1.456 3.634
79 HG11 VAL 11 1HG1 VAL 11 7.937 -3.676 5.305
80 HG12 VAL 11 2HG1 VAL 11 7.036 -2.487 4.373
81 HG13 VAL 11 3HG1 VAL 11 8.002 -1.975 5.757
82 HG21 VAL 11 3HG2 VAL 11 10.517 -3.670 5.130
83 HG22 VAL 11 1HG2 VAL 11 10.451 -1.981 5.640
84 HG23 VAL 11 2HG2 VAL 11 11.279 -2.423 4.143
85 H CYS 12 H CYS 12 7.294 -5.031 1.986
86 HA CYS 12 HA CYS 12 5.978 -2.937 0.451
87 HB2 CYS 12 2HB CYS 12 5.578 -5.934 0.301
88 HB3 CYS 12 1HB CYS 12 4.859 -4.734 -0.763
89 H ARG 13 H ARG 13 4.285 -2.052 1.116
90 HA ARG 13 HA ARG 13 2.882 -3.349 3.342
91 HB2 ARG 13 2HB ARG 13 2.369 -1.129 4.241
92 HB3 ARG 13 1HB ARG 13 4.097 -1.372 4.101
93 HG2 ARG 13 2HG ARG 13 4.046 -0.009 2.003
94 HG3 ARG 13 1HG ARG 13 2.341 0.319 2.327
95 HD2 ARG 13 2HD ARG 13 3.006 1.229 4.548
96 HD3 ARG 13 1HD ARG 13 4.684 1.019 4.082
97 HE ARG 13 HE ARG 13 2.917 2.714 2.473
98 HH11 ARG 13 1HH1 ARG 13 5.887 2.377 4.372
99 HH12 ARG 13 2HH1 ARG 13 6.299 4.021 4.282
100 HH21 ARG 13 1HH2 ARG 13 3.530 5.034 2.357
101 HH22 ARG 13 2HH2 ARG 13 4.980 5.515 3.097
102 H CYS 14 H CYS 14 0.716 -3.516 3.267
103 HA CYS 14 HA CYS 14 -0.525 -2.581 0.797
104 HB2 CYS 14 2HB CYS 14 -1.273 -4.908 2.510
105 HB3 CYS 14 1HB CYS 14 -2.112 -4.410 1.058
106 H VAL 15 H VAL 15 -2.154 -1.427 0.852
107 HA VAL 15 HA VAL 15 -3.491 -0.807 3.400
108 HB VAL 15 HB VAL 15 -3.049 1.019 1.001
109 HG11 VAL 15 1HG1 VAL 15 -4.358 1.608 3.656
110 HG12 VAL 15 2HG1 VAL 15 -5.166 1.502 2.092
111 HG13 VAL 15 3HG1 VAL 15 -4.013 2.796 2.398
112 HG21 VAL 15 3HG2 VAL 15 -1.826 1.100 3.755
113 HG22 VAL 15 1HG2 VAL 15 -1.607 2.331 2.512
114 HG23 VAL 15 2HG2 VAL 15 -0.993 0.700 2.250
115 H CYS 16 H CYS 16 -5.655 -1.228 3.351
116 HA CYS 16 HA CYS 16 -6.791 -1.795 0.703
117 HB2 CYS 16 2HB CYS 16 -7.348 -3.260 3.278
118 HB3 CYS 16 1HB CYS 16 -8.214 -3.492 1.760
119 H ARG 17 H ARG 17 -8.616 -0.928 0.202
120 HA ARG 17 HA ARG 17 -10.356 0.095 2.284
121 HB2 ARG 17 2HB ARG 17 -8.922 2.018 1.813
122 HB3 ARG 17 1HB ARG 17 -9.312 1.914 0.106
123 HG2 ARG 17 2HG ARG 17 -11.604 2.481 0.525
124 HG3 ARG 17 1HG ARG 17 -11.344 2.433 2.270
125 HD2 ARG 17 2HD ARG 17 -10.056 4.351 0.331
126 HD3 ARG 17 1HD ARG 17 -11.402 4.725 1.414
127 HE ARG 17 HE ARG 17 -8.765 3.884 2.415
128 HH11 ARG 17 1HH1 ARG 17 -11.473 6.181 2.485
129 HH12 ARG 17 2HH1 ARG 17 -10.819 7.096 3.757
130 HH21 ARG 17 1HH2 ARG 17 -7.860 5.168 4.102
131 HH22 ARG 17 2HH2 ARG 17 -8.716 6.534 4.674
132 H ARG 18 H ARG 18 -12.244 -0.618 1.906
133 HA ARG 18 HA ARG 18 -14.149 -1.309 0.990
134 HB2 ARG 18 2HB ARG 18 -14.150 1.148 0.377
135 HB3 ARG 18 1HB ARG 18 -13.593 0.680 -1.223
136 HG2 ARG 18 2HG ARG 18 -15.629 -0.690 -1.491
137 HG3 ARG 18 1HG ARG 18 -16.185 -0.106 0.077
138 HD2 ARG 18 2HD ARG 18 -16.169 2.182 -0.771
139 HD3 ARG 18 1HD ARG 18 -15.607 1.590 -2.336
140 HE ARG 18 HE ARG 18 -18.091 0.542 -1.248
141 HH11 ARG 18 1HH1 ARG 18 -16.496 2.542 -3.696
142 HH12 ARG 18 2HH1 ARG 18 -17.873 2.673 -4.677
143 HH21 ARG 18 1HH2 ARG 18 -19.964 0.718 -2.600
144 HH22 ARG 18 2HH2 ARG 18 -19.898 1.599 -4.048
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -11.884 -3.688 0.223
2 HA2 GLY 1 2HA GLY 1 -11.706 -5.462 -1.295
3 HA3 GLY 1 1HA GLY 1 -12.779 -4.607 -2.381
4 H VAL 2 H VAL 2 -10.962 -2.153 -1.881
5 HA VAL 2 HA VAL 2 -9.145 -2.924 -4.015
6 HB VAL 2 HB VAL 2 -9.907 -0.152 -3.057
7 HG11 VAL 2 1HG1 VAL 2 -7.663 -0.219 -4.032
8 HG12 VAL 2 2HG1 VAL 2 -8.783 0.631 -5.088
9 HG13 VAL 2 3HG1 VAL 2 -8.303 -1.029 -5.462
10 HG21 VAL 2 3HG2 VAL 2 -11.770 -1.296 -4.124
11 HG22 VAL 2 1HG2 VAL 2 -10.756 -1.682 -5.511
12 HG23 VAL 2 2HG2 VAL 2 -11.157 -0.005 -5.164
13 H CYS 3 H CYS 3 -7.310 -3.645 -3.280
14 HA CYS 3 HA CYS 3 -6.091 -2.299 -1.026
15 HB2 CYS 3 2HB CYS 3 -5.513 -4.973 -2.302
16 HB3 CYS 3 1HB CYS 3 -4.527 -4.263 -1.032
17 H ARG 4 H ARG 4 -4.524 -0.955 -1.439
18 HA ARG 4 HA ARG 4 -3.084 -1.319 -3.984
19 HB2 ARG 4 2HB ARG 4 -3.384 1.257 -2.414
20 HB3 ARG 4 1HB ARG 4 -2.426 1.068 -3.875
21 HG2 ARG 4 2HG ARG 4 -4.565 0.411 -5.047
22 HG3 ARG 4 1HG ARG 4 -5.415 0.929 -3.594
23 HD2 ARG 4 2HD ARG 4 -3.635 2.630 -5.342
24 HD3 ARG 4 1HD ARG 4 -5.386 2.731 -5.217
25 HE ARG 4 HE ARG 4 -4.589 3.131 -2.686
26 HH11 ARG 4 1HH1 ARG 4 -3.734 4.692 -5.749
27 HH12 ARG 4 2HH1 ARG 4 -3.328 6.178 -5.040
28 HH21 ARG 4 1HH2 ARG 4 -3.989 5.200 -1.699
29 HH22 ARG 4 2HH2 ARG 4 -3.443 6.462 -2.697
30 H CYS 5 H CYS 5 -1.144 -2.104 -3.800
31 HA CYS 5 HA CYS 5 0.228 -1.797 -1.235
32 HB2 CYS 5 2HB CYS 5 0.626 -3.873 -3.373
33 HB3 CYS 5 1HB CYS 5 1.471 -3.797 -1.839
34 H VAL 6 H VAL 6 2.222 -1.079 -1.172
35 HA VAL 6 HA VAL 6 3.579 -0.428 -3.661
36 HB VAL 6 HB VAL 6 2.419 1.623 -2.891
37 HG11 VAL 6 1HG1 VAL 6 4.040 1.367 -0.369
38 HG12 VAL 6 2HG1 VAL 6 2.289 1.207 -0.524
39 HG13 VAL 6 3HG1 VAL 6 3.064 2.762 -0.827
40 HG21 VAL 6 3HG2 VAL 6 5.419 1.748 -2.592
41 HG22 VAL 6 1HG2 VAL 6 4.367 3.140 -2.858
42 HG23 VAL 6 2HG2 VAL 6 4.506 1.887 -4.093
43 H CYS 7 H CYS 7 5.764 -0.733 -3.558
44 HA CYS 7 HA CYS 7 6.754 -1.713 -0.998
45 HB2 CYS 7 2HB CYS 7 7.561 -2.525 -3.786
46 HB3 CYS 7 1HB CYS 7 8.384 -3.037 -2.318
47 H ARG 8 H ARG 8 8.621 -1.034 -0.228
48 HA ARG 8 HA ARG 8 10.331 0.616 -1.899
49 HB2 ARG 8 2HB ARG 8 8.870 2.198 -0.648
50 HB3 ARG 8 1HB ARG 8 9.437 1.485 0.847
51 HG2 ARG 8 2HG ARG 8 11.661 2.260 0.486
52 HG3 ARG 8 1HG ARG 8 11.266 2.789 -1.147
53 HD2 ARG 8 2HD ARG 8 11.357 4.677 0.387
54 HD3 ARG 8 1HD ARG 8 9.731 4.447 -0.245
55 HE ARG 8 HE ARG 8 10.345 3.216 2.290
56 HH11 ARG 8 1HH1 ARG 8 8.767 5.917 0.586
57 HH12 ARG 8 2HH1 ARG 8 7.928 6.469 1.958
58 HH21 ARG 8 1HH2 ARG 8 9.147 3.975 4.139
59 HH22 ARG 8 2HH2 ARG 8 8.131 5.329 4.019
60 H ARG 9 H ARG 9 11.960 -0.709 -1.939
61 HA ARG 9 HA ARG 9 13.896 -1.664 -1.360
62 HB2 ARG 9 2HB ARG 9 14.146 0.619 -0.305
63 HB3 ARG 9 1HB ARG 9 13.659 -0.098 1.214
64 HG2 ARG 9 2HG ARG 9 15.638 -1.437 1.293
65 HG3 ARG 9 1HG ARG 9 16.081 -0.960 -0.352
66 HD2 ARG 9 2HD ARG 9 16.225 1.372 0.381
67 HD3 ARG 9 1HD ARG 9 15.852 0.873 2.025
68 HE ARG 9 HE ARG 9 17.940 -0.422 1.939
69 HH11 ARG 9 1HH1 ARG 9 17.598 2.220 -0.410
70 HH12 ARG 9 2HH1 ARG 9 19.260 2.610 -0.395
71 HH21 ARG 9 1HH2 ARG 9 20.193 0.134 1.923
72 HH22 ARG 9 2HH2 ARG 9 20.766 1.413 0.958
73 H GLY 10 H GLY 10 11.703 -3.169 -0.979
74 HA2 GLY 10 2HA GLY 10 11.500 -5.378 -0.267
75 HA3 GLY 10 1HA GLY 10 12.644 -5.066 1.021
76 H VAL 11 H VAL 11 10.799 -2.536 1.470
77 HA VAL 11 HA VAL 11 9.048 -3.946 3.327
78 HB VAL 11 HB VAL 11 9.567 -0.963 3.076
79 HG11 VAL 11 1HG1 VAL 11 8.598 -0.821 5.331
80 HG12 VAL 11 2HG1 VAL 11 8.266 -2.555 5.283
81 HG13 VAL 11 3HG1 VAL 11 7.449 -1.466 4.158
82 HG21 VAL 11 3HG2 VAL 11 10.790 -2.946 4.998
83 HG22 VAL 11 1HG2 VAL 11 11.011 -1.196 5.048
84 HG23 VAL 11 2HG2 VAL 11 11.627 -2.120 3.683
85 H CYS 12 H CYS 12 7.139 -4.478 2.520
86 HA CYS 12 HA CYS 12 6.011 -2.704 0.522
87 HB2 CYS 12 2HB CYS 12 5.519 -5.654 0.955
88 HB3 CYS 12 1HB CYS 12 4.666 -4.669 -0.230
89 H ARG 13 H ARG 13 4.219 -1.671 0.971
90 HA ARG 13 HA ARG 13 2.720 -2.475 3.375
91 HB2 ARG 13 2HB ARG 13 3.270 0.315 2.348
92 HB3 ARG 13 1HB ARG 13 2.220 -0.069 3.703
93 HG2 ARG 13 2HG ARG 13 4.129 -0.983 4.924
94 HG3 ARG 13 1HG ARG 13 5.180 -0.617 3.559
95 HD2 ARG 13 2HD ARG 13 3.581 1.412 5.104
96 HD3 ARG 13 1HD ARG 13 5.293 1.083 5.364
97 HE ARG 13 HE ARG 13 5.409 1.678 2.863
98 HH11 ARG 13 1HH1 ARG 13 3.286 3.267 5.221
99 HH12 ARG 13 2HH1 ARG 13 3.318 4.775 4.426
100 HH21 ARG 13 1HH2 ARG 13 5.496 3.792 1.822
101 HH22 ARG 13 2HH2 ARG 13 4.647 5.093 2.495
102 H CYS 14 H CYS 14 0.549 -2.642 3.148
103 HA CYS 14 HA CYS 14 -0.595 -1.788 0.581
104 HB2 CYS 14 2HB CYS 14 -1.447 -4.141 2.251
105 HB3 CYS 14 1HB CYS 14 -2.172 -3.627 0.748
106 H VAL 15 H VAL 15 -2.360 -0.704 0.627
107 HA VAL 15 HA VAL 15 -3.697 -0.254 3.207
108 HB VAL 15 HB VAL 15 -3.637 1.606 0.797
109 HG11 VAL 15 1HG1 VAL 15 -4.714 3.231 2.283
110 HG12 VAL 15 2HG1 VAL 15 -4.781 2.016 3.559
111 HG13 VAL 15 3HG1 VAL 15 -5.703 1.785 2.072
112 HG21 VAL 15 3HG2 VAL 15 -2.226 1.893 3.454
113 HG22 VAL 15 1HG2 VAL 15 -2.264 3.108 2.179
114 HG23 VAL 15 2HG2 VAL 15 -1.455 1.560 1.906
115 H CYS 16 H CYS 16 -5.582 -1.311 3.233
116 HA CYS 16 HA CYS 16 -6.845 -1.814 0.673
117 HB2 CYS 16 2HB CYS 16 -7.075 -3.354 3.256
118 HB3 CYS 16 1HB CYS 16 -8.045 -3.648 1.815
119 H ARG 17 H ARG 17 -8.765 -1.122 0.276
120 HA ARG 17 HA ARG 17 -10.538 -0.424 2.446
121 HB2 ARG 17 2HB ARG 17 -9.296 1.649 2.078
122 HB3 ARG 17 1HB ARG 17 -9.737 1.623 0.380
123 HG2 ARG 17 2HG ARG 17 -12.077 1.930 0.948
124 HG3 ARG 17 1HG ARG 17 -11.685 1.864 2.665
125 HD2 ARG 17 2HD ARG 17 -11.952 4.175 1.864
126 HD3 ARG 17 1HD ARG 17 -10.330 3.857 2.479
127 HE ARG 17 HE ARG 17 -10.754 3.538 -0.357
128 HH11 ARG 17 1HH1 ARG 17 -9.639 5.692 2.214
129 HH12 ARG 17 2HH1 ARG 17 -8.616 6.604 1.224
130 HH21 ARG 17 1HH2 ARG 17 -9.268 4.764 -1.733
131 HH22 ARG 17 2HH2 ARG 17 -8.374 6.049 -1.074
132 H ARG 18 H ARG 18 -12.177 -1.549 2.008
133 HA ARG 18 HA ARG 18 -13.966 -2.479 1.090
134 HB2 ARG 18 2HB ARG 18 -14.540 -0.023 0.991
135 HB3 ARG 18 1HB ARG 18 -14.076 -0.042 -0.702
136 HG2 ARG 18 2HG ARG 18 -15.832 -1.672 -1.178
137 HG3 ARG 18 1HG ARG 18 -16.270 -1.711 0.527
138 HD2 ARG 18 2HD ARG 18 -17.817 -0.290 -0.626
139 HD3 ARG 18 1HD ARG 18 -16.784 0.718 0.382
140 HE ARG 18 HE ARG 18 -15.921 0.393 -2.343
141 HH11 ARG 18 1HH1 ARG 18 -17.615 2.456 -0.024
142 HH12 ARG 18 2HH1 ARG 18 -17.755 3.794 -1.059
143 HH21 ARG 18 1HH2 ARG 18 -16.132 2.207 -3.817
144 HH22 ARG 18 2HH2 ARG 18 -16.890 3.637 -3.308
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -12.007 -0.724 1.271
2 HA2 GLY 1 2HA GLY 1 -12.628 -2.984 1.316
3 HA3 GLY 1 1HA GLY 1 -13.582 -2.712 -0.133
4 H VAL 2 H VAL 2 -10.906 -1.345 -1.109
5 HA VAL 2 HA VAL 2 -9.937 -3.833 -2.318
6 HB VAL 2 HB VAL 2 -9.311 -0.983 -3.104
7 HG11 VAL 2 1HG1 VAL 2 -8.937 -3.573 -4.581
8 HG12 VAL 2 2HG1 VAL 2 -7.667 -2.563 -3.889
9 HG13 VAL 2 3HG1 VAL 2 -8.630 -1.971 -5.246
10 HG21 VAL 2 3HG2 VAL 2 -11.698 -1.357 -3.343
11 HG22 VAL 2 1HG2 VAL 2 -11.387 -2.811 -4.293
12 HG23 VAL 2 2HG2 VAL 2 -10.919 -1.231 -4.924
13 H CYS 3 H CYS 3 -7.944 -4.550 -1.726
14 HA CYS 3 HA CYS 3 -6.387 -2.674 -0.147
15 HB2 CYS 3 2HB CYS 3 -5.988 -5.652 -0.446
16 HB3 CYS 3 1HB CYS 3 -5.142 -4.593 0.679
17 H ARG 4 H ARG 4 -4.784 -1.697 -0.902
18 HA ARG 4 HA ARG 4 -3.705 -2.543 -3.496
19 HB2 ARG 4 2HB ARG 4 -5.326 -0.488 -3.347
20 HB3 ARG 4 1HB ARG 4 -3.970 0.319 -2.589
21 HG2 ARG 4 2HG ARG 4 -4.006 0.930 -4.893
22 HG3 ARG 4 1HG ARG 4 -2.629 -0.144 -4.647
23 HD2 ARG 4 2HD ARG 4 -5.299 -1.157 -5.620
24 HD3 ARG 4 1HD ARG 4 -4.088 -0.533 -6.732
25 HE ARG 4 HE ARG 4 -2.606 -2.300 -5.805
26 HH11 ARG 4 1HH1 ARG 4 -6.117 -2.796 -5.814
27 HH12 ARG 4 2HH1 ARG 4 -6.016 -4.493 -5.923
28 HH21 ARG 4 1HH2 ARG 4 -2.482 -4.640 -6.031
29 HH22 ARG 4 2HH2 ARG 4 -3.905 -5.557 -6.038
30 H CYS 5 H CYS 5 -1.430 -2.323 -3.597
31 HA CYS 5 HA CYS 5 -0.309 -1.814 -0.959
32 HB2 CYS 5 2HB CYS 5 0.942 -3.529 -3.069
33 HB3 CYS 5 1HB CYS 5 1.314 -3.476 -1.350
34 H VAL 6 H VAL 6 1.316 -0.509 -0.634
35 HA VAL 6 HA VAL 6 2.206 1.031 -2.896
36 HB VAL 6 HB VAL 6 2.856 2.664 -1.150
37 HG11 VAL 6 1HG1 VAL 6 -0.083 1.952 -1.243
38 HG12 VAL 6 2HG1 VAL 6 0.776 2.958 -2.409
39 HG13 VAL 6 3HG1 VAL 6 0.554 3.523 -0.751
40 HG21 VAL 6 3HG2 VAL 6 1.228 0.918 0.701
41 HG22 VAL 6 1HG2 VAL 6 1.829 2.529 1.096
42 HG23 VAL 6 2HG2 VAL 6 2.963 1.210 0.799
43 H CYS 7 H CYS 7 4.408 1.225 -3.190
44 HA CYS 7 HA CYS 7 5.951 -0.571 -1.502
45 HB2 CYS 7 2HB CYS 7 6.549 0.166 -4.366
46 HB3 CYS 7 1HB CYS 7 7.430 -0.959 -3.321
47 H ARG 8 H ARG 8 7.506 0.099 -0.432
48 HA ARG 8 HA ARG 8 8.440 2.849 -0.829
49 HB2 ARG 8 2HB ARG 8 6.819 2.659 1.050
50 HB3 ARG 8 1HB ARG 8 7.862 1.463 1.796
51 HG2 ARG 8 2HG ARG 8 8.178 3.576 2.894
52 HG3 ARG 8 1HG ARG 8 9.635 3.188 1.972
53 HD2 ARG 8 2HD ARG 8 8.933 4.690 0.201
54 HD3 ARG 8 1HD ARG 8 7.423 5.022 1.048
55 HE ARG 8 HE ARG 8 9.479 5.639 2.788
56 HH11 ARG 8 1HH1 ARG 8 8.328 6.832 -0.339
57 HH12 ARG 8 2HH1 ARG 8 8.866 8.430 -0.054
58 HH21 ARG 8 1HH2 ARG 8 10.176 7.810 3.156
59 HH22 ARG 8 2HH2 ARG 8 9.902 8.999 1.961
60 H ARG 9 H ARG 9 10.501 2.600 -1.451
61 HA ARG 9 HA ARG 9 12.659 2.011 -1.543
62 HB2 ARG 9 2HB ARG 9 12.650 2.916 0.749
63 HB3 ARG 9 1HB ARG 9 12.213 1.345 1.384
64 HG2 ARG 9 2HG ARG 9 14.373 0.461 0.790
65 HG3 ARG 9 1HG ARG 9 14.810 1.954 -0.037
66 HD2 ARG 9 2HD ARG 9 14.731 3.167 2.062
67 HD3 ARG 9 1HD ARG 9 14.174 1.723 2.912
68 HE ARG 9 HE ARG 9 16.476 0.931 1.784
69 HH11 ARG 9 1HH1 ARG 9 15.706 3.695 3.857
70 HH12 ARG 9 2HH1 ARG 9 17.235 3.751 4.606
71 HH21 ARG 9 1HH2 ARG 9 18.584 0.994 2.860
72 HH22 ARG 9 2HH2 ARG 9 18.870 2.185 4.034
73 H GLY 10 H GLY 10 10.947 0.203 -2.556
74 HA2 GLY 10 2HA GLY 10 11.213 -1.851 -3.585
75 HA3 GLY 10 1HA GLY 10 12.586 -2.164 -2.539
76 H VAL 11 H VAL 11 10.302 -1.351 -0.378
77 HA VAL 11 HA VAL 11 9.486 -4.152 -0.070
78 HB VAL 11 HB VAL 11 9.433 -1.907 1.961
79 HG11 VAL 11 1HG1 VAL 11 9.108 -3.682 3.630
80 HG12 VAL 11 2HG1 VAL 11 9.050 -4.871 2.333
81 HG13 VAL 11 3HG1 VAL 11 7.800 -3.635 2.448
82 HG21 VAL 11 3HG2 VAL 11 11.441 -4.138 1.668
83 HG22 VAL 11 1HG2 VAL 11 11.380 -2.994 3.008
84 HG23 VAL 11 2HG2 VAL 11 11.735 -2.423 1.378
85 H CYS 12 H CYS 12 7.377 -4.637 -0.395
86 HA CYS 12 HA CYS 12 5.600 -2.358 -0.786
87 HB2 CYS 12 2HB CYS 12 5.333 -5.171 -1.850
88 HB3 CYS 12 1HB CYS 12 4.228 -3.834 -2.177
89 H ARG 13 H ARG 13 4.061 -1.943 0.523
90 HA ARG 13 HA ARG 13 3.172 -3.994 2.419
91 HB2 ARG 13 2HB ARG 13 3.628 -1.038 2.866
92 HB3 ARG 13 1HB ARG 13 2.807 -2.081 4.017
93 HG2 ARG 13 2HG ARG 13 4.838 -3.446 4.194
94 HG3 ARG 13 1HG ARG 13 5.661 -2.342 3.094
95 HD2 ARG 13 2HD ARG 13 5.324 -0.515 4.674
96 HD3 ARG 13 1HD ARG 13 4.477 -1.608 5.771
97 HE ARG 13 HE ARG 13 6.915 -2.758 5.267
98 HH11 ARG 13 1HH1 ARG 13 5.739 0.209 6.807
99 HH12 ARG 13 2HH1 ARG 13 7.097 0.390 7.825
100 HH21 ARG 13 1HH2 ARG 13 8.823 -2.475 6.678
101 HH22 ARG 13 2HH2 ARG 13 8.861 -1.154 7.741
102 H CYS 14 H CYS 14 0.948 -4.087 2.797
103 HA CYS 14 HA CYS 14 -0.539 -2.709 0.717
104 HB2 CYS 14 2HB CYS 14 -1.261 -5.210 2.166
105 HB3 CYS 14 1HB CYS 14 -2.144 -4.495 0.829
106 H VAL 15 H VAL 15 -2.328 -1.630 1.002
107 HA VAL 15 HA VAL 15 -3.266 -1.139 3.750
108 HB VAL 15 HB VAL 15 -2.994 0.914 1.516
109 HG11 VAL 15 1HG1 VAL 15 -3.827 1.289 4.389
110 HG12 VAL 15 2HG1 VAL 15 -4.876 1.393 2.979
111 HG13 VAL 15 3HG1 VAL 15 -3.587 2.583 3.216
112 HG21 VAL 15 3HG2 VAL 15 -1.248 1.976 2.897
113 HG22 VAL 15 1HG2 VAL 15 -0.792 0.349 2.385
114 HG23 VAL 15 2HG2 VAL 15 -1.350 0.632 4.034
115 H CYS 16 H CYS 16 -5.536 -1.027 3.894
116 HA CYS 16 HA CYS 16 -6.895 -1.666 1.404
117 HB2 CYS 16 2HB CYS 16 -7.828 -2.254 4.212
118 HB3 CYS 16 1HB CYS 16 -8.634 -2.698 2.699
119 H ARG 17 H ARG 17 -8.328 -0.514 0.565
120 HA ARG 17 HA ARG 17 -9.341 1.871 1.921
121 HB2 ARG 17 2HB ARG 17 -7.201 2.431 0.835
122 HB3 ARG 17 1HB ARG 17 -7.818 1.805 -0.680
123 HG2 ARG 17 2HG ARG 17 -7.987 4.104 -0.895
124 HG3 ARG 17 1HG ARG 17 -9.619 3.577 -0.487
125 HD2 ARG 17 2HD ARG 17 -7.643 4.650 1.539
126 HD3 ARG 17 1HD ARG 17 -8.805 5.653 0.688
127 HE ARG 17 HE ARG 17 -9.590 3.467 2.512
128 HH11 ARG 17 1HH1 ARG 17 -9.853 6.837 1.450
129 HH12 ARG 17 2HH1 ARG 17 -11.269 7.119 2.353
130 HH21 ARG 17 1HH2 ARG 17 -11.484 3.908 3.783
131 HH22 ARG 17 2HH2 ARG 17 -12.200 5.461 3.682
132 H ARG 18 H ARG 18 -11.511 1.745 1.565
133 HA ARG 18 HA ARG 18 -13.513 1.573 0.575
134 HB2 ARG 18 2HB ARG 18 -12.513 3.149 -1.058
135 HB3 ARG 18 1HB ARG 18 -11.925 1.809 -2.010
136 HG2 ARG 18 2HG ARG 18 -14.330 1.133 -2.359
137 HG3 ARG 18 1HG ARG 18 -14.797 2.621 -1.541
138 HD2 ARG 18 2HD ARG 18 -13.061 2.492 -3.992
139 HD3 ARG 18 1HD ARG 18 -14.797 2.772 -4.023
140 HE ARG 18 HE ARG 18 -13.996 4.701 -2.399
141 HH11 ARG 18 1HH1 ARG 18 -12.575 3.645 -5.458
142 HH12 ARG 18 2HH1 ARG 18 -12.211 5.205 -6.006
143 HH21 ARG 18 1HH2 ARG 18 -13.481 6.872 -3.150
144 HH22 ARG 18 2HH2 ARG 18 -12.714 7.086 -4.660
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -11.451 -2.770 0.406
2 HA2 GLY 1 2HA GLY 1 -11.407 -4.795 -0.793
3 HA3 GLY 1 1HA GLY 1 -12.481 -4.081 -1.989
4 H VAL 2 H VAL 2 -10.582 -1.654 -1.911
5 HA VAL 2 HA VAL 2 -8.859 -2.716 -4.003
6 HB VAL 2 HB VAL 2 -9.327 0.165 -3.182
7 HG11 VAL 2 1HG1 VAL 2 -7.229 -0.158 -4.383
8 HG12 VAL 2 2HG1 VAL 2 -8.391 0.721 -5.378
9 HG13 VAL 2 3HG1 VAL 2 -8.090 -0.990 -5.679
10 HG21 VAL 2 3HG2 VAL 2 -10.606 -1.408 -5.419
11 HG22 VAL 2 1HG2 VAL 2 -10.821 0.316 -5.120
12 HG23 VAL 2 2HG2 VAL 2 -11.405 -0.864 -3.948
13 H CYS 3 H CYS 3 -6.955 -3.416 -3.308
14 HA CYS 3 HA CYS 3 -5.784 -2.045 -1.030
15 HB2 CYS 3 2HB CYS 3 -5.260 -4.818 -2.090
16 HB3 CYS 3 1HB CYS 3 -4.325 -4.061 -0.802
17 H ARG 4 H ARG 4 -4.192 -0.788 -1.341
18 HA ARG 4 HA ARG 4 -2.795 -0.834 -3.905
19 HB2 ARG 4 2HB ARG 4 -4.001 1.247 -3.141
20 HB3 ARG 4 1HB ARG 4 -2.891 1.321 -1.788
21 HG2 ARG 4 2HG ARG 4 -2.219 2.868 -3.530
22 HG3 ARG 4 1HG ARG 4 -1.013 1.591 -3.336
23 HD2 ARG 4 2HD ARG 4 -1.530 2.129 -5.706
24 HD3 ARG 4 1HD ARG 4 -1.835 0.443 -5.284
25 HE ARG 4 HE ARG 4 -4.174 1.983 -4.942
26 HH11 ARG 4 1HH1 ARG 4 -2.169 0.668 -7.527
27 HH12 ARG 4 2HH1 ARG 4 -3.454 0.512 -8.633
28 HH21 ARG 4 1HH2 ARG 4 -5.929 1.755 -6.407
29 HH22 ARG 4 2HH2 ARG 4 -5.701 1.132 -7.967
30 H CYS 5 H CYS 5 -0.937 -1.970 -3.761
31 HA CYS 5 HA CYS 5 0.553 -1.795 -1.258
32 HB2 CYS 5 2HB CYS 5 0.812 -3.813 -3.462
33 HB3 CYS 5 1HB CYS 5 1.716 -3.809 -1.964
34 H VAL 6 H VAL 6 2.416 -0.990 -1.229
35 HA VAL 6 HA VAL 6 3.706 -0.101 -3.730
36 HB VAL 6 HB VAL 6 3.636 1.435 -1.101
37 HG11 VAL 6 1HG1 VAL 6 4.713 3.252 -2.342
38 HG12 VAL 6 2HG1 VAL 6 4.802 2.224 -3.774
39 HG13 VAL 6 3HG1 VAL 6 5.705 1.794 -2.325
40 HG21 VAL 6 3HG2 VAL 6 2.223 2.061 -3.698
41 HG22 VAL 6 1HG2 VAL 6 2.272 3.111 -2.279
42 HG23 VAL 6 2HG2 VAL 6 1.458 1.545 -2.196
43 H CYS 7 H CYS 7 5.824 -0.683 -3.836
44 HA CYS 7 HA CYS 7 6.965 -1.808 -1.396
45 HB2 CYS 7 2HB CYS 7 7.600 -2.485 -4.262
46 HB3 CYS 7 1HB CYS 7 8.400 -3.153 -2.834
47 H ARG 8 H ARG 8 8.729 -1.079 -0.637
48 HA ARG 8 HA ARG 8 10.379 0.715 -2.232
49 HB2 ARG 8 2HB ARG 8 8.781 2.165 -1.069
50 HB3 ARG 8 1HB ARG 8 9.224 1.427 0.458
51 HG2 ARG 8 2HG ARG 8 11.439 2.331 0.328
52 HG3 ARG 8 1HG ARG 8 11.130 2.958 -1.294
53 HD2 ARG 8 2HD ARG 8 9.671 3.769 1.203
54 HD3 ARG 8 1HD ARG 8 10.951 4.700 0.419
55 HE ARG 8 HE ARG 8 9.262 4.434 -1.583
56 HH11 ARG 8 1HH1 ARG 8 8.595 5.334 1.777
57 HH12 ARG 8 2HH1 ARG 8 7.226 6.287 1.371
58 HH21 ARG 8 1HH2 ARG 8 7.441 5.691 -2.095
59 HH22 ARG 8 2HH2 ARG 8 6.502 6.457 -0.888
60 H ARG 9 H ARG 9 12.362 -0.016 -2.063
61 HA ARG 9 HA ARG 9 14.366 -0.718 -1.210
62 HB2 ARG 9 2HB ARG 9 13.827 1.141 0.425
63 HB3 ARG 9 1HB ARG 9 13.166 -0.077 1.495
64 HG2 ARG 9 2HG ARG 9 15.419 -1.113 1.612
65 HG3 ARG 9 1HG ARG 9 16.039 0.232 0.647
66 HD2 ARG 9 2HD ARG 9 15.151 1.800 2.347
67 HD3 ARG 9 1HD ARG 9 14.685 0.415 3.325
68 HE ARG 9 HE ARG 9 17.456 0.475 2.579
69 HH11 ARG 9 1HH1 ARG 9 15.067 1.296 5.075
70 HH12 ARG 9 2HH1 ARG 9 16.229 1.658 6.254
71 HH21 ARG 9 1HH2 ARG 9 19.040 0.979 4.199
72 HH22 ARG 9 2HH2 ARG 9 18.538 1.504 5.748
73 H GLY 10 H GLY 10 12.135 -2.543 -1.592
74 HA2 GLY 10 2HA GLY 10 12.044 -4.870 -1.466
75 HA3 GLY 10 1HA GLY 10 13.209 -4.823 -0.147
76 H VAL 11 H VAL 11 11.021 -2.581 0.671
77 HA VAL 11 HA VAL 11 9.554 -4.429 2.391
78 HB VAL 11 HB VAL 11 9.914 -1.420 2.562
79 HG11 VAL 11 1HG1 VAL 11 8.979 -1.642 4.835
80 HG12 VAL 11 2HG1 VAL 11 8.624 -3.340 4.484
81 HG13 VAL 11 3HG1 VAL 11 7.824 -2.068 3.570
82 HG21 VAL 11 3HG2 VAL 11 11.370 -1.896 4.481
83 HG22 VAL 11 1HG2 VAL 11 11.997 -2.592 2.989
84 HG23 VAL 11 2HG2 VAL 11 11.198 -3.622 4.177
85 H CYS 12 H CYS 12 7.570 -4.938 1.651
86 HA CYS 12 HA CYS 12 6.244 -2.980 -0.011
87 HB2 CYS 12 2HB CYS 12 5.702 -5.934 0.302
88 HB3 CYS 12 1HB CYS 12 4.758 -4.854 -0.716
89 H ARG 13 H ARG 13 4.556 -1.917 0.666
90 HA ARG 13 HA ARG 13 3.252 -2.751 3.170
91 HB2 ARG 13 2HB ARG 13 4.746 -0.778 3.374
92 HB3 ARG 13 1HB ARG 13 3.800 0.032 2.136
93 HG2 ARG 13 2HG ARG 13 1.863 0.035 3.599
94 HG3 ARG 13 1HG ARG 13 2.781 -0.832 4.832
95 HD2 ARG 13 2HD ARG 13 3.374 1.908 3.746
96 HD3 ARG 13 1HD ARG 13 2.744 1.518 5.349
97 HE ARG 13 HE ARG 13 4.993 0.136 5.324
98 HH11 ARG 13 1HH1 ARG 13 4.295 3.531 4.627
99 HH12 ARG 13 2HH1 ARG 13 5.876 4.076 4.977
100 HH21 ARG 13 1HH2 ARG 13 7.202 0.897 5.761
101 HH22 ARG 13 2HH2 ARG 13 7.542 2.567 5.596
102 H CYS 14 H CYS 14 0.989 -2.682 3.134
103 HA CYS 14 HA CYS 14 -0.207 -1.784 0.609
104 HB2 CYS 14 2HB CYS 14 -1.092 -4.156 2.245
105 HB3 CYS 14 1HB CYS 14 -1.837 -3.580 0.775
106 H VAL 15 H VAL 15 -2.000 -0.683 0.719
107 HA VAL 15 HA VAL 15 -3.299 -0.316 3.311
108 HB VAL 15 HB VAL 15 -2.041 1.745 2.838
109 HG11 VAL 15 1HG1 VAL 15 -2.468 3.140 0.872
110 HG12 VAL 15 2HG1 VAL 15 -3.522 1.886 0.222
111 HG13 VAL 15 3HG1 VAL 15 -1.804 1.566 0.429
112 HG21 VAL 15 3HG2 VAL 15 -3.867 3.397 2.829
113 HG22 VAL 15 1HG2 VAL 15 -4.175 2.043 3.920
114 HG23 VAL 15 2HG2 VAL 15 -4.991 2.124 2.357
115 H CYS 16 H CYS 16 -5.419 -0.815 3.258
116 HA CYS 16 HA CYS 16 -6.529 -1.236 0.593
117 HB2 CYS 16 2HB CYS 16 -7.267 -2.630 3.165
118 HB3 CYS 16 1HB CYS 16 -8.017 -2.887 1.591
119 H ARG 17 H ARG 17 -8.251 -0.340 -0.042
120 HA ARG 17 HA ARG 17 -9.981 0.998 1.881
121 HB2 ARG 17 2HB ARG 17 -8.644 2.781 0.932
122 HB3 ARG 17 1HB ARG 17 -8.949 2.199 -0.697
123 HG2 ARG 17 2HG ARG 17 -10.274 4.184 -0.191
124 HG3 ARG 17 1HG ARG 17 -11.308 2.788 -0.494
125 HD2 ARG 17 2HD ARG 17 -11.433 2.484 2.009
126 HD3 ARG 17 1HD ARG 17 -10.608 4.038 2.162
127 HE ARG 17 HE ARG 17 -12.823 4.330 0.491
128 HH11 ARG 17 1HH1 ARG 17 -12.073 3.806 3.911
129 HH12 ARG 17 2HH1 ARG 17 -13.514 4.489 4.487
130 HH21 ARG 17 1HH2 ARG 17 -14.847 5.263 1.299
131 HH22 ARG 17 2HH2 ARG 17 -15.110 5.323 2.985
132 H ARG 18 H ARG 18 -11.646 -0.256 1.812
133 HA ARG 18 HA ARG 18 -13.457 -1.385 1.190
134 HB2 ARG 18 2HB ARG 18 -14.127 0.969 0.773
135 HB3 ARG 18 1HB ARG 18 -13.622 0.804 -0.895
136 HG2 ARG 18 2HG ARG 18 -15.390 -0.750 -1.346
137 HG3 ARG 18 1HG ARG 18 -15.795 -0.848 0.369
138 HD2 ARG 18 2HD ARG 18 -15.967 1.671 -1.276
139 HD3 ARG 18 1HD ARG 18 -17.334 0.600 -0.960
140 HE ARG 18 HE ARG 18 -16.457 1.124 1.514
141 HH11 ARG 18 1HH1 ARG 18 -17.180 3.344 -1.154
142 HH12 ARG 18 2HH1 ARG 18 -17.671 4.612 -0.129
143 HH21 ARG 18 1HH2 ARG 18 -17.183 2.844 2.895
144 HH22 ARG 18 2HH2 ARG 18 -17.685 4.317 2.222
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -10.951 -1.876 1.737
2 HA2 GLY 1 2HA GLY 1 -11.241 -4.175 1.246
3 HA3 GLY 1 1HA GLY 1 -12.560 -3.751 0.169
4 H VAL 2 H VAL 2 -10.669 -1.604 -0.970
5 HA VAL 2 HA VAL 2 -9.520 -3.371 -2.965
6 HB VAL 2 HB VAL 2 -9.503 -0.338 -2.853
7 HG11 VAL 2 1HG1 VAL 2 -7.749 -1.237 -4.286
8 HG12 VAL 2 2HG1 VAL 2 -9.003 -0.467 -5.262
9 HG13 VAL 2 3HG1 VAL 2 -8.935 -2.221 -5.141
10 HG21 VAL 2 3HG2 VAL 2 -11.372 -2.190 -4.336
11 HG22 VAL 2 1HG2 VAL 2 -11.340 -0.433 -4.491
12 HG23 VAL 2 2HG2 VAL 2 -11.790 -1.177 -2.955
13 H CYS 3 H CYS 3 -7.580 -4.189 -2.464
14 HA CYS 3 HA CYS 3 -5.823 -2.485 -0.908
15 HB2 CYS 3 2HB CYS 3 -5.833 -5.489 -1.184
16 HB3 CYS 3 1HB CYS 3 -4.629 -4.578 -0.284
17 H ARG 4 H ARG 4 -3.962 -1.848 -1.708
18 HA ARG 4 HA ARG 4 -2.812 -3.315 -3.977
19 HB2 ARG 4 2HB ARG 4 -2.246 -1.229 -5.168
20 HB3 ARG 4 1HB ARG 4 -3.977 -1.447 -5.008
21 HG2 ARG 4 2HG ARG 4 -4.068 0.199 -3.243
22 HG3 ARG 4 1HG ARG 4 -2.309 0.356 -3.268
23 HD2 ARG 4 2HD ARG 4 -4.155 1.003 -5.564
24 HD3 ARG 4 1HD ARG 4 -3.433 2.184 -4.473
25 HE ARG 4 HE ARG 4 -1.580 0.443 -5.873
26 HH11 ARG 4 1HH1 ARG 4 -3.211 3.571 -5.865
27 HH12 ARG 4 2HH1 ARG 4 -2.093 4.322 -6.903
28 HH21 ARG 4 1HH2 ARG 4 -0.052 1.428 -7.282
29 HH22 ARG 4 2HH2 ARG 4 -0.234 3.054 -7.738
30 H CYS 5 H CYS 5 -0.662 -3.651 -3.824
31 HA CYS 5 HA CYS 5 0.701 -2.390 -1.585
32 HB2 CYS 5 2HB CYS 5 1.454 -4.736 -3.288
33 HB3 CYS 5 1HB CYS 5 2.600 -3.946 -2.246
34 H VAL 6 H VAL 6 2.325 -1.305 -1.570
35 HA VAL 6 HA VAL 6 3.524 -0.395 -4.059
36 HB VAL 6 HB VAL 6 1.922 1.360 -3.262
37 HG11 VAL 6 1HG1 VAL 6 1.902 0.900 -0.899
38 HG12 VAL 6 2HG1 VAL 6 2.325 2.590 -1.174
39 HG13 VAL 6 3HG1 VAL 6 3.579 1.421 -0.753
40 HG21 VAL 6 3HG2 VAL 6 3.496 3.269 -3.211
41 HG22 VAL 6 1HG2 VAL 6 3.893 2.095 -4.468
42 HG23 VAL 6 2HG2 VAL 6 4.827 2.138 -2.974
43 H CYS 7 H CYS 7 5.769 -0.121 -3.836
44 HA CYS 7 HA CYS 7 6.734 -1.233 -1.334
45 HB2 CYS 7 2HB CYS 7 8.161 -1.176 -3.990
46 HB3 CYS 7 1HB CYS 7 8.693 -1.970 -2.505
47 H ARG 8 H ARG 8 7.970 -0.279 -0.072
48 HA ARG 8 HA ARG 8 9.170 2.291 -0.845
49 HB2 ARG 8 2HB ARG 8 7.182 2.630 0.591
50 HB3 ARG 8 1HB ARG 8 7.874 1.546 1.789
51 HG2 ARG 8 2HG ARG 8 9.783 3.123 2.018
52 HG3 ARG 8 1HG ARG 8 8.937 4.227 0.937
53 HD2 ARG 8 2HD ARG 8 7.896 3.199 3.579
54 HD3 ARG 8 1HD ARG 8 8.565 4.803 3.298
55 HE ARG 8 HE ARG 8 6.639 4.874 1.566
56 HH11 ARG 8 1HH1 ARG 8 6.473 3.425 4.815
57 HH12 ARG 8 2HH1 ARG 8 4.865 3.862 5.087
58 HH21 ARG 8 1HH2 ARG 8 4.385 5.456 1.944
59 HH22 ARG 8 2HH2 ARG 8 3.640 5.021 3.401
60 H ARG 9 H ARG 9 11.263 1.767 -0.975
61 HA ARG 9 HA ARG 9 13.261 0.928 -0.594
62 HB2 ARG 9 2HB ARG 9 13.154 2.639 1.194
63 HB3 ARG 9 1HB ARG 9 12.538 1.434 2.313
64 HG2 ARG 9 2HG ARG 9 14.918 1.817 2.711
65 HG3 ARG 9 1HG ARG 9 14.663 0.183 2.092
66 HD2 ARG 9 2HD ARG 9 15.197 1.072 -0.189
67 HD3 ARG 9 1HD ARG 9 15.679 2.581 0.580
68 HE ARG 9 HE ARG 9 16.975 0.344 1.734
69 HH11 ARG 9 1HH1 ARG 9 17.039 2.507 -1.045
70 HH12 ARG 9 2HH1 ARG 9 18.653 2.179 -1.464
71 HH21 ARG 9 1HH2 ARG 9 19.203 -0.137 1.175
72 HH22 ARG 9 2HH2 ARG 9 19.928 0.617 -0.162
73 H GLY 10 H GLY 10 11.775 -1.051 -1.223
74 HA2 GLY 10 2HA GLY 10 12.086 -3.350 -1.331
75 HA3 GLY 10 1HA GLY 10 13.042 -3.266 0.137
76 H VAL 11 H VAL 11 10.540 -1.688 1.212
77 HA VAL 11 HA VAL 11 9.232 -4.112 2.165
78 HB VAL 11 HB VAL 11 8.991 -1.260 3.176
79 HG11 VAL 11 1HG1 VAL 11 6.980 -2.566 3.646
80 HG12 VAL 11 2HG1 VAL 11 7.874 -2.254 5.136
81 HG13 VAL 11 3HG1 VAL 11 7.961 -3.838 4.373
82 HG21 VAL 11 3HG2 VAL 11 10.321 -2.044 5.087
83 HG22 VAL 11 1HG2 VAL 11 11.210 -2.162 3.565
84 HG23 VAL 11 2HG2 VAL 11 10.513 -3.608 4.291
85 H CYS 12 H CYS 12 7.608 -4.707 0.958
86 HA CYS 12 HA CYS 12 5.970 -2.688 -0.335
87 HB2 CYS 12 2HB CYS 12 5.938 -5.693 -0.657
88 HB3 CYS 12 1HB CYS 12 5.110 -4.507 -1.668
89 H ARG 13 H ARG 13 4.217 -2.070 0.477
90 HA ARG 13 HA ARG 13 2.869 -3.747 2.490
91 HB2 ARG 13 2HB ARG 13 4.041 -1.878 3.568
92 HB3 ARG 13 1HB ARG 13 3.255 -0.745 2.483
93 HG2 ARG 13 2HG ARG 13 1.066 -1.414 3.457
94 HG3 ARG 13 1HG ARG 13 1.938 -2.422 4.612
95 HD2 ARG 13 2HD ARG 13 2.257 0.559 4.288
96 HD3 ARG 13 1HD ARG 13 1.322 -0.232 5.553
97 HE ARG 13 HE ARG 13 3.854 -1.288 5.722
98 HH11 ARG 13 1HH1 ARG 13 2.411 1.908 6.056
99 HH12 ARG 13 2HH1 ARG 13 3.584 2.491 7.150
100 HH21 ARG 13 1HH2 ARG 13 5.469 -0.519 7.176
101 HH22 ARG 13 2HH2 ARG 13 5.414 1.075 7.770
102 H CYS 14 H CYS 14 0.684 -3.940 2.186
103 HA CYS 14 HA CYS 14 -0.433 -2.485 -0.053
104 HB2 CYS 14 2HB CYS 14 -1.406 -4.830 1.467
105 HB3 CYS 14 1HB CYS 14 -2.494 -3.898 0.482
106 H VAL 15 H VAL 15 -1.639 -1.124 -0.044
107 HA VAL 15 HA VAL 15 -2.642 0.060 2.445
108 HB VAL 15 HB VAL 15 -2.489 1.264 -0.347
109 HG11 VAL 15 1HG1 VAL 15 -4.234 2.260 1.012
110 HG12 VAL 15 2HG1 VAL 15 -2.911 3.401 0.773
111 HG13 VAL 15 3HG1 VAL 15 -3.080 2.557 2.312
112 HG21 VAL 15 3HG2 VAL 15 -0.662 1.737 2.013
113 HG22 VAL 15 1HG2 VAL 15 -0.609 2.612 0.483
114 HG23 VAL 15 2HG2 VAL 15 -0.240 0.886 0.527
115 H CYS 16 H CYS 16 -4.776 -0.191 2.780
116 HA CYS 16 HA CYS 16 -6.259 -1.179 0.505
117 HB2 CYS 16 2HB CYS 16 -6.741 -1.738 3.422
118 HB3 CYS 16 1HB CYS 16 -7.745 -2.285 2.076
119 H ARG 17 H ARG 17 -7.894 -0.170 -0.123
120 HA ARG 17 HA ARG 17 -9.061 1.937 1.534
121 HB2 ARG 17 2HB ARG 17 -7.832 3.019 -0.210
122 HB3 ARG 17 1HB ARG 17 -8.508 1.949 -1.427
123 HG2 ARG 17 2HG ARG 17 -10.630 2.980 -1.285
124 HG3 ARG 17 1HG ARG 17 -10.185 3.834 0.182
125 HD2 ARG 17 2HD ARG 17 -8.808 4.272 -2.457
126 HD3 ARG 17 1HD ARG 17 -10.154 5.262 -1.889
127 HE ARG 17 HE ARG 17 -8.470 5.382 0.177
128 HH11 ARG 17 1HH1 ARG 17 -7.858 5.918 -3.276
129 HH12 ARG 17 2HH1 ARG 17 -6.636 7.073 -3.002
130 HH21 ARG 17 1HH2 ARG 17 -6.807 7.000 0.514
131 HH22 ARG 17 2HH2 ARG 17 -6.034 7.687 -0.844
132 H ARG 18 H ARG 18 -10.745 0.901 2.301
133 HA ARG 18 HA ARG 18 -12.698 -0.148 2.498
134 HB2 ARG 18 2HB ARG 18 -13.415 1.988 1.491
135 HB3 ARG 18 1HB ARG 18 -13.311 1.277 -0.110
136 HG2 ARG 18 2HG ARG 18 -15.099 -0.303 0.490
137 HG3 ARG 18 1HG ARG 18 -15.168 0.379 2.105
138 HD2 ARG 18 2HD ARG 18 -15.846 2.535 1.159
139 HD3 ARG 18 1HD ARG 18 -15.783 1.840 -0.459
140 HE ARG 18 HE ARG 18 -17.498 0.229 0.410
141 HH11 ARG 18 1HH1 ARG 18 -17.283 3.510 1.761
142 HH12 ARG 18 2HH1 ARG 18 -18.944 3.619 2.090
143 HH21 ARG 18 1HH2 ARG 18 -19.781 0.402 0.911
144 HH22 ARG 18 2HH2 ARG 18 -20.382 1.837 1.608
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -12.553 -2.374 0.798
2 HA2 GLY 1 2HA GLY 1 -12.737 -4.653 0.295
3 HA3 GLY 1 1HA GLY 1 -13.765 -4.229 -1.066
4 H VAL 2 H VAL 2 -11.180 -2.275 -1.330
5 HA VAL 2 HA VAL 2 -9.884 -4.065 -3.252
6 HB VAL 2 HB VAL 2 -9.757 -1.039 -3.074
7 HG11 VAL 2 1HG1 VAL 2 -8.889 -1.148 -5.364
8 HG12 VAL 2 2HG1 VAL 2 -8.904 -2.911 -5.269
9 HG13 VAL 2 3HG1 VAL 2 -7.847 -1.980 -4.207
10 HG21 VAL 2 3HG2 VAL 2 -11.478 -2.736 -4.880
11 HG22 VAL 2 1HG2 VAL 2 -11.276 -0.989 -5.014
12 HG23 VAL 2 2HG2 VAL 2 -12.035 -1.685 -3.580
13 H CYS 3 H CYS 3 -7.723 -4.499 -2.948
14 HA CYS 3 HA CYS 3 -6.486 -3.083 -0.743
15 HB2 CYS 3 2HB CYS 3 -6.130 -5.957 -1.594
16 HB3 CYS 3 1HB CYS 3 -5.070 -5.146 -0.445
17 H ARG 4 H ARG 4 -4.539 -2.208 -1.122
18 HA ARG 4 HA ARG 4 -3.219 -2.856 -3.649
19 HB2 ARG 4 2HB ARG 4 -2.491 -0.432 -3.737
20 HB3 ARG 4 1HB ARG 4 -4.158 -0.783 -4.154
21 HG2 ARG 4 2HG ARG 4 -4.945 0.078 -2.082
22 HG3 ARG 4 1HG ARG 4 -3.303 0.185 -1.436
23 HD2 ARG 4 2HD ARG 4 -4.327 2.349 -2.252
24 HD3 ARG 4 1HD ARG 4 -2.739 1.949 -2.896
25 HE ARG 4 HE ARG 4 -5.047 1.137 -4.458
26 HH11 ARG 4 1HH1 ARG 4 -2.513 3.593 -3.971
27 HH12 ARG 4 2HH1 ARG 4 -2.505 4.069 -5.597
28 HH21 ARG 4 1HH2 ARG 4 -4.976 1.805 -6.681
29 HH22 ARG 4 2HH2 ARG 4 -3.887 3.053 -7.156
30 H CYS 5 H CYS 5 -1.051 -3.044 -3.587
31 HA CYS 5 HA CYS 5 0.192 -2.506 -0.996
32 HB2 CYS 5 2HB CYS 5 1.023 -4.577 -2.982
33 HB3 CYS 5 1HB CYS 5 1.693 -4.312 -1.387
34 H VAL 6 H VAL 6 1.741 -1.257 -0.944
35 HA VAL 6 HA VAL 6 2.887 -0.239 -3.463
36 HB VAL 6 HB VAL 6 2.397 1.326 -0.917
37 HG11 VAL 6 1HG1 VAL 6 3.039 3.292 -2.225
38 HG12 VAL 6 2HG1 VAL 6 3.422 2.255 -3.596
39 HG13 VAL 6 3HG1 VAL 6 4.360 2.131 -2.107
40 HG21 VAL 6 3HG2 VAL 6 0.698 2.549 -2.207
41 HG22 VAL 6 1HG2 VAL 6 0.305 0.836 -2.080
42 HG23 VAL 6 2HG2 VAL 6 0.974 1.476 -3.581
43 H CYS 7 H CYS 7 4.971 -0.824 -3.624
44 HA CYS 7 HA CYS 7 6.472 -1.350 -1.217
45 HB2 CYS 7 2HB CYS 7 7.156 -1.748 -4.105
46 HB3 CYS 7 1HB CYS 7 8.398 -1.668 -2.857
47 H ARG 8 H ARG 8 7.644 -0.348 -0.201
48 HA ARG 8 HA ARG 8 8.905 2.072 -1.261
49 HB2 ARG 8 2HB ARG 8 7.063 2.729 0.231
50 HB3 ARG 8 1HB ARG 8 7.708 1.685 1.492
51 HG2 ARG 8 2HG ARG 8 9.721 3.051 1.603
52 HG3 ARG 8 1HG ARG 8 9.082 4.109 0.348
53 HD2 ARG 8 2HD ARG 8 7.141 4.615 1.784
54 HD3 ARG 8 1HD ARG 8 7.847 3.614 3.053
55 HE ARG 8 HE ARG 8 9.781 5.418 2.421
56 HH11 ARG 8 1HH1 ARG 8 6.418 5.674 3.518
57 HH12 ARG 8 2HH1 ARG 8 6.672 7.120 4.392
58 HH21 ARG 8 1HH2 ARG 8 10.094 7.454 3.553
59 HH22 ARG 8 2HH2 ARG 8 8.803 8.167 4.387
60 H ARG 9 H ARG 9 10.937 1.555 -1.371
61 HA ARG 9 HA ARG 9 12.985 0.792 -0.959
62 HB2 ARG 9 2HB ARG 9 12.709 2.225 1.066
63 HB3 ARG 9 1HB ARG 9 12.118 0.838 1.956
64 HG2 ARG 9 2HG ARG 9 14.440 1.224 2.526
65 HG3 ARG 9 1HG ARG 9 14.344 -0.249 1.566
66 HD2 ARG 9 2HD ARG 9 14.912 1.107 -0.455
67 HD3 ARG 9 1HD ARG 9 15.161 2.481 0.629
68 HE ARG 9 HE ARG 9 16.635 0.187 1.385
69 HH11 ARG 9 1HH1 ARG 9 16.693 3.024 -0.727
70 HH12 ARG 9 2HH1 ARG 9 18.370 2.986 -0.975
71 HH21 ARG 9 1HH2 ARG 9 18.941 0.128 1.060
72 HH22 ARG 9 2HH2 ARG 9 19.689 1.304 0.097
73 H GLY 10 H GLY 10 11.045 -0.970 -1.702
74 HA2 GLY 10 2HA GLY 10 11.062 -3.225 -2.213
75 HA3 GLY 10 1HA GLY 10 12.243 -3.482 -0.943
76 H VAL 11 H VAL 11 10.073 -1.824 0.683
77 HA VAL 11 HA VAL 11 8.763 -4.267 1.573
78 HB VAL 11 HB VAL 11 8.924 -1.556 2.919
79 HG11 VAL 11 1HG1 VAL 11 8.062 -2.698 4.911
80 HG12 VAL 11 2HG1 VAL 11 7.898 -4.192 3.990
81 HG13 VAL 11 3HG1 VAL 11 6.913 -2.789 3.572
82 HG21 VAL 11 3HG2 VAL 11 10.415 -4.118 3.482
83 HG22 VAL 11 1HG2 VAL 11 10.486 -2.661 4.472
84 HG23 VAL 11 2HG2 VAL 11 11.099 -2.638 2.818
85 H CYS 12 H CYS 12 6.917 -4.622 0.559
86 HA CYS 12 HA CYS 12 5.249 -2.429 -0.249
87 HB2 CYS 12 2HB CYS 12 5.139 -5.370 -0.653
88 HB3 CYS 12 1HB CYS 12 3.647 -4.464 -0.784
89 H ARG 13 H ARG 13 3.942 -1.507 0.738
90 HA ARG 13 HA ARG 13 2.877 -2.593 3.248
91 HB2 ARG 13 2HB ARG 13 2.812 0.228 2.148
92 HB3 ARG 13 1HB ARG 13 2.305 -0.260 3.758
93 HG2 ARG 13 2HG ARG 13 4.599 -0.892 4.297
94 HG3 ARG 13 1HG ARG 13 5.111 -0.402 2.678
95 HD2 ARG 13 2HD ARG 13 4.331 1.881 3.157
96 HD3 ARG 13 1HD ARG 13 3.895 1.372 4.787
97 HE ARG 13 HE ARG 13 6.642 0.895 4.040
98 HH11 ARG 13 1HH1 ARG 13 4.378 3.150 5.536
99 HH12 ARG 13 2HH1 ARG 13 5.540 3.951 6.478
100 HH21 ARG 13 1HH2 ARG 13 8.270 1.996 5.265
101 HH22 ARG 13 2HH2 ARG 13 7.877 3.259 6.322
102 H CYS 14 H CYS 14 0.892 -3.457 3.059
103 HA CYS 14 HA CYS 14 -0.696 -2.685 0.753
104 HB2 CYS 14 2HB CYS 14 -1.158 -4.954 2.649
105 HB3 CYS 14 1HB CYS 14 -2.001 -4.670 1.147
106 H VAL 15 H VAL 15 -2.378 -1.669 0.844
107 HA VAL 15 HA VAL 15 -3.597 -0.892 3.416
108 HB VAL 15 HB VAL 15 -3.502 0.717 0.838
109 HG11 VAL 15 1HG1 VAL 15 -4.334 2.574 2.205
110 HG12 VAL 15 2HG1 VAL 15 -4.463 1.481 3.581
111 HG13 VAL 15 3HG1 VAL 15 -5.459 1.215 2.149
112 HG21 VAL 15 3HG2 VAL 15 -1.265 0.613 1.802
113 HG22 VAL 15 1HG2 VAL 15 -1.898 1.134 3.364
114 HG23 VAL 15 2HG2 VAL 15 -1.937 2.232 1.987
115 H CYS 16 H CYS 16 -5.714 -1.514 3.527
116 HA CYS 16 HA CYS 16 -6.970 -2.203 0.995
117 HB2 CYS 16 2HB CYS 16 -7.414 -3.410 3.721
118 HB3 CYS 16 1HB CYS 16 -8.434 -3.729 2.317
119 H ARG 17 H ARG 17 -8.840 -1.314 0.512
120 HA ARG 17 HA ARG 17 -10.603 -0.171 2.469
121 HB2 ARG 17 2HB ARG 17 -10.559 2.123 1.615
122 HB3 ARG 17 1HB ARG 17 -9.022 1.662 2.327
123 HG2 ARG 17 2HG ARG 17 -8.110 1.287 0.074
124 HG3 ARG 17 1HG ARG 17 -9.666 1.787 -0.603
125 HD2 ARG 17 2HD ARG 17 -7.970 3.599 -0.593
126 HD3 ARG 17 1HD ARG 17 -9.415 3.997 0.337
127 HE ARG 17 HE ARG 17 -7.834 3.012 2.234
128 HH11 ARG 17 1HH1 ARG 17 -7.098 5.314 -0.311
129 HH12 ARG 17 2HH1 ARG 17 -5.997 6.225 0.601
130 HH21 ARG 17 1HH2 ARG 17 -6.338 4.225 3.538
131 HH22 ARG 17 2HH2 ARG 17 -5.564 5.590 2.869
132 H ARG 18 H ARG 18 -12.615 0.038 1.738
133 HA ARG 18 HA ARG 18 -14.447 -0.167 0.437
134 HB2 ARG 18 2HB ARG 18 -13.407 1.798 -0.631
135 HB3 ARG 18 1HB ARG 18 -12.552 0.757 -1.743
136 HG2 ARG 18 2HG ARG 18 -14.670 0.123 -2.777
137 HG3 ARG 18 1HG ARG 18 -15.558 1.080 -1.585
138 HD2 ARG 18 2HD ARG 18 -13.570 2.116 -3.592
139 HD3 ARG 18 1HD ARG 18 -15.318 2.345 -3.647
140 HE ARG 18 HE ARG 18 -15.015 3.518 -1.452
141 HH11 ARG 18 1HH1 ARG 18 -12.482 3.553 -3.942
142 HH12 ARG 18 2HH1 ARG 18 -11.744 4.973 -3.391
143 HH21 ARG 18 1HH2 ARG 18 -13.956 5.475 -0.677
144 HH22 ARG 18 2HH2 ARG 18 -12.580 6.080 -1.491