Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615439 | 2nc7 RC | 26009 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 12.463 -5.781 -11.662
2 H2 ARG 1 HT2 ARG 1 11.779 -6.726 -12.899
3 H3 ARG 1 HT3 ARG 1 13.284 -7.150 -12.235
4 HA ARG 1 HA ARG 1 11.434 -8.562 -11.409
5 HB2 ARG 1 HB2 ARG 1 13.656 -7.492 -10.222
6 HB3 ARG 1 HB1 ARG 1 12.404 -7.020 -9.074
7 HG2 ARG 1 HG2 ARG 1 13.196 -9.180 -8.381
8 HG3 ARG 1 HG1 ARG 1 11.611 -9.432 -9.112
9 HD2 ARG 1 HD2 ARG 1 13.109 -11.124 -10.002
10 HD3 ARG 1 HD1 ARG 1 12.817 -9.945 -11.295
11 HE ARG 1 HE ARG 1 15.047 -9.048 -9.765
12 HH11 ARG 1 HH11 ARG 1 16.181 -8.752 -12.048
13 HH12 ARG 1 HH12 ARG 1 16.861 -10.244 -12.607
14 HH21 ARG 1 HH21 ARG 1 15.026 -12.207 -10.414
15 HH22 ARG 1 HH22 ARG 1 16.206 -12.201 -11.681
16 H GLY 2 HN GLY 2 10.199 -8.132 -8.986
17 HA2 GLY 2 HA2 GLY 2 7.873 -6.573 -9.757
18 HA3 GLY 2 HA1 GLY 2 8.099 -7.394 -8.212
19 H GLY 3 HN GLY 3 10.435 -6.185 -7.297
20 HA2 GLY 3 HA2 GLY 3 10.609 -3.373 -7.502
21 HA3 GLY 3 HA1 GLY 3 9.447 -3.719 -6.222
22 H ARG 4 HN ARG 4 12.441 -2.796 -6.514
23 HA ARG 4 HA ARG 4 13.281 -4.454 -4.213
24 HB2 ARG 4 HB2 ARG 4 15.046 -3.317 -6.406
25 HB3 ARG 4 HB1 ARG 4 15.573 -4.344 -5.080
26 HG2 ARG 4 HG2 ARG 4 15.363 -5.869 -6.850
27 HG3 ARG 4 HG1 ARG 4 13.839 -6.052 -5.989
28 HD2 ARG 4 HD2 ARG 4 13.942 -5.697 -8.661
29 HD3 ARG 4 HD1 ARG 4 12.608 -5.059 -7.691
30 HE ARG 4 HE ARG 4 13.684 -2.863 -7.739
31 HH11 ARG 4 HH11 ARG 4 16.245 -4.769 -8.491
32 HH12 ARG 4 HH12 ARG 4 16.717 -3.936 -9.935
33 HH21 ARG 4 HH21 ARG 4 13.830 -2.022 -10.090
34 HH22 ARG 4 HH22 ARG 4 15.349 -2.381 -10.840
35 H LEU 5 HN LEU 5 12.936 -2.979 -2.610
36 HA LEU 5 HA LEU 5 13.936 -0.204 -3.015
37 HB2 LEU 5 HB2 LEU 5 11.795 -1.344 -1.184
38 HB3 LEU 5 HB1 LEU 5 12.211 0.363 -1.320
39 HG LEU 5 HG LEU 5 10.311 0.096 -2.717
40 HD11 LEU 5 HD11 LEU 5 11.114 0.896 -4.727
41 HD12 LEU 5 HD12 LEU 5 12.371 -0.335 -4.834
42 HD13 LEU 5 HD13 LEU 5 12.579 1.044 -3.756
43 HD21 LEU 5 HD21 LEU 5 9.731 -1.832 -3.767
44 HD22 LEU 5 HD22 LEU 5 11.024 -2.566 -2.821
45 HD23 LEU 5 HD23 LEU 5 11.334 -2.033 -4.472
46 H CYS 6 HN CYS 6 15.870 -0.077 -2.098
47 HA CYS 6 HA CYS 6 16.203 -0.894 0.740
48 HB2 CYS 6 HB2 CYS 6 17.278 -2.269 -1.591
49 HB3 CYS 6 HB1 CYS 6 18.581 -1.694 -0.550
50 H TYR 7 HN TYR 7 16.962 0.804 1.741
51 HA TYR 7 HA TYR 7 19.278 2.301 0.839
52 HB2 TYR 7 HB2 TYR 7 17.593 4.406 0.939
53 HB3 TYR 7 HB1 TYR 7 17.869 3.530 -0.561
54 HD1 TYR 7 HD1 TYR 7 15.856 3.454 2.514
55 HD2 TYR 7 HD2 TYR 7 16.216 2.632 -1.646
56 HE1 TYR 7 HE1 TYR 7 13.503 2.760 2.464
57 HE2 TYR 7 HE2 TYR 7 13.872 1.933 -1.760
58 HH TYR 7 HH TYR 7 11.976 1.423 1.121
59 H CYS 8 HN CYS 8 19.769 3.877 2.421
60 HA CYS 8 HA CYS 8 18.275 3.780 4.975
61 HB2 CYS 8 HB2 CYS 8 19.989 1.931 4.681
62 HB3 CYS 8 HB1 CYS 8 21.212 3.195 4.795
63 H ARG 9 HN ARG 9 18.044 5.777 5.553
64 HA ARG 9 HA ARG 9 20.207 7.803 5.212
65 HB2 ARG 9 HB2 ARG 9 17.256 7.800 4.652
66 HB3 ARG 9 HB1 ARG 9 18.075 9.320 5.007
67 HG2 ARG 9 HG2 ARG 9 18.242 9.174 2.673
68 HG3 ARG 9 HG1 ARG 9 19.793 8.542 3.222
69 HD2 ARG 9 HD2 ARG 9 18.005 6.333 3.172
70 HD3 ARG 9 HD1 ARG 9 17.790 7.207 1.642
71 HE ARG 9 HE ARG 9 20.524 6.514 2.649
72 HH11 ARG 9 HH11 ARG 9 21.105 4.660 1.188
73 HH12 ARG 9 HH12 ARG 9 20.813 4.948 -0.496
74 HH21 ARG 9 HH21 ARG 9 18.841 7.746 0.052
75 HH22 ARG 9 HH22 ARG 9 19.532 6.695 -1.138
76 HA PRO 10 HA PRO 10 19.818 8.109 9.610
77 HB2 PRO 10 HB2 PRO 10 20.590 10.752 9.909
78 HB3 PRO 10 HB1 PRO 10 21.722 9.399 9.693
79 HG2 PRO 10 HG2 PRO 10 20.608 11.266 7.630
80 HG3 PRO 10 HG1 PRO 10 22.288 10.751 7.884
81 HD2 PRO 10 HD2 PRO 10 20.851 9.605 5.979
82 HD3 PRO 10 HD1 PRO 10 21.885 8.594 7.019
83 H ARG 11 HN ARG 11 18.031 9.934 7.315
84 HA ARG 11 HA ARG 11 16.239 11.232 9.236
85 HB2 ARG 11 HB2 ARG 11 16.378 10.931 6.246
86 HB3 ARG 11 HB1 ARG 11 15.056 11.780 7.047
87 HG2 ARG 11 HG2 ARG 11 16.366 13.619 6.954
88 HG3 ARG 11 HG1 ARG 11 17.321 12.868 8.232
89 HD2 ARG 11 HD2 ARG 11 18.355 11.597 6.052
90 HD3 ARG 11 HD1 ARG 11 17.955 13.180 5.353
91 HE ARG 11 HE ARG 11 19.468 13.013 7.927
92 HH11 ARG 11 HH11 ARG 11 20.326 12.991 4.767
93 HH12 ARG 11 HH12 ARG 11 21.124 14.529 4.749
94 HH21 ARG 11 HH21 ARG 11 19.959 15.467 7.876
95 HH22 ARG 11 HH22 ARG 11 20.916 15.930 6.509
96 H PHE 12 HN PHE 12 16.443 8.372 7.349
97 HA PHE 12 HA PHE 12 14.292 6.968 8.729
98 HB2 PHE 12 HB2 PHE 12 12.911 6.823 6.614
99 HB3 PHE 12 HB1 PHE 12 13.005 8.481 7.238
100 HD1 PHE 12 HD1 PHE 12 14.357 10.134 6.204
101 HD2 PHE 12 HD2 PHE 12 14.318 6.126 4.703
102 HE1 PHE 12 HE1 PHE 12 15.545 10.906 4.182
103 HE2 PHE 12 HE2 PHE 12 15.493 6.881 2.660
104 HZ PHE 12 HZ PHE 12 16.111 9.276 2.383
105 H CYS 13 HN CYS 13 14.329 4.646 7.797
106 HA CYS 13 HA CYS 13 16.056 4.198 5.540
107 HB2 CYS 13 HB2 CYS 13 17.873 4.718 6.866
108 HB3 CYS 13 HB1 CYS 13 17.084 4.192 8.344
109 H VAL 14 HN VAL 14 15.486 2.223 4.722
110 HA VAL 14 HA VAL 14 14.812 -0.059 6.422
111 HB VAL 14 HB VAL 14 12.832 1.797 5.252
112 HG11 VAL 14 HG11 VAL 14 12.563 -1.205 5.019
113 HG12 VAL 14 HG12 VAL 14 12.341 0.003 3.754
114 HG13 VAL 14 HG13 VAL 14 11.162 -0.133 5.058
115 HG21 VAL 14 HG21 VAL 14 13.200 0.063 7.636
116 HG22 VAL 14 HG22 VAL 14 11.538 0.381 7.138
117 HG23 VAL 14 HG23 VAL 14 12.613 1.723 7.531
118 H CYS 15 HN CYS 15 14.531 -1.985 5.160
119 HA CYS 15 HA CYS 15 15.298 -1.741 2.272
120 HB2 CYS 15 HB2 CYS 15 16.723 -2.850 4.507
121 HB3 CYS 15 HB1 CYS 15 16.303 -4.162 3.406
122 H VAL 16 HN VAL 16 13.905 -2.823 0.961
123 HA VAL 16 HA VAL 16 12.680 -5.353 1.671
124 HB VAL 16 HB VAL 16 10.369 -3.929 1.151
125 HG11 VAL 16 HG11 VAL 16 11.190 -5.676 2.987
126 HG12 VAL 16 HG12 VAL 16 9.725 -4.721 3.209
127 HG13 VAL 16 HG13 VAL 16 11.227 -4.226 3.991
128 HG21 VAL 16 HG21 VAL 16 11.836 -2.309 3.235
129 HG22 VAL 16 HG22 VAL 16 10.330 -1.925 2.402
130 HG23 VAL 16 HG23 VAL 16 11.864 -1.837 1.536
131 H GLY 17 HN GLY 17 12.168 -6.433 -0.097
132 HA2 GLY 17 HA2 GLY 17 11.391 -5.161 -2.567
133 HA3 GLY 17 HA1 GLY 17 13.056 -5.752 -2.618
134 H ARG 18 HN ARG 18 9.795 -6.625 -2.923
135 HA ARG 18 HA ARG 18 10.638 -9.354 -3.419
136 HB2 ARG 18 HB2 ARG 18 9.353 -10.333 -1.611
137 HB3 ARG 18 HB1 ARG 18 10.437 -9.096 -0.954
138 HG2 ARG 18 HG2 ARG 18 7.635 -8.336 -1.755
139 HG3 ARG 18 HG1 ARG 18 7.912 -9.133 -0.209
140 HD2 ARG 18 HD2 ARG 18 9.029 -6.481 -1.155
141 HD3 ARG 18 HD1 ARG 18 8.073 -6.815 0.300
142 HE ARG 18 HE ARG 18 10.920 -7.570 -0.089
143 HH11 ARG 18 HH11 ARG 18 11.176 -9.387 1.566
144 HH12 ARG 18 HH12 ARG 18 10.596 -8.969 3.143
145 HH21 ARG 18 HH21 ARG 18 8.817 -6.202 2.048
146 HH22 ARG 18 HH22 ARG 18 9.262 -7.166 3.417
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 14.070 -8.366 -10.887
2 H2 ARG 1 HT2 ARG 1 13.411 -6.801 -10.817
3 H3 ARG 1 HT3 ARG 1 12.904 -7.887 -12.022
4 HA ARG 1 HA ARG 1 11.915 -9.331 -10.335
5 HB2 ARG 1 HB2 ARG 1 13.777 -8.110 -8.767
6 HB3 ARG 1 HB1 ARG 1 12.327 -7.234 -8.275
7 HG2 ARG 1 HG2 ARG 1 11.282 -9.150 -7.455
8 HG3 ARG 1 HG1 ARG 1 12.231 -10.227 -8.479
9 HD2 ARG 1 HD2 ARG 1 13.883 -8.667 -6.609
10 HD3 ARG 1 HD1 ARG 1 12.743 -9.766 -5.807
11 HE ARG 1 HE ARG 1 13.649 -11.506 -7.525
12 HH11 ARG 1 HH11 ARG 1 15.315 -10.530 -5.008
13 HH12 ARG 1 HH12 ARG 1 16.900 -10.564 -5.706
14 HH21 ARG 1 HH21 ARG 1 15.749 -10.835 -8.965
15 HH22 ARG 1 HH22 ARG 1 17.146 -10.736 -7.945
16 H GLY 2 HN GLY 2 10.272 -7.806 -8.440
17 HA2 GLY 2 HA2 GLY 2 8.644 -6.267 -10.418
18 HA3 GLY 2 HA1 GLY 2 7.978 -7.102 -9.014
19 H GLY 3 HN GLY 3 10.196 -6.140 -7.271
20 HA2 GLY 3 HA2 GLY 3 10.067 -3.229 -7.262
21 HA3 GLY 3 HA1 GLY 3 9.055 -3.959 -6.017
22 H ARG 4 HN ARG 4 11.980 -2.627 -6.476
23 HA ARG 4 HA ARG 4 13.070 -4.261 -4.266
24 HB2 ARG 4 HB2 ARG 4 14.626 -3.014 -6.553
25 HB3 ARG 4 HB1 ARG 4 15.291 -4.019 -5.273
26 HG2 ARG 4 HG2 ARG 4 15.053 -5.550 -7.029
27 HG3 ARG 4 HG1 ARG 4 13.586 -5.808 -6.091
28 HD2 ARG 4 HD2 ARG 4 13.538 -5.433 -8.765
29 HD3 ARG 4 HD1 ARG 4 12.223 -4.878 -7.723
30 HE ARG 4 HE ARG 4 13.166 -2.626 -7.808
31 HH11 ARG 4 HH11 ARG 4 15.590 -1.930 -8.200
32 HH12 ARG 4 HH12 ARG 4 16.048 -2.124 -9.859
33 HH21 ARG 4 HH21 ARG 4 13.385 -4.206 -10.628
34 HH22 ARG 4 HH22 ARG 4 14.800 -3.412 -11.233
35 H LEU 5 HN LEU 5 12.726 -2.813 -2.633
36 HA LEU 5 HA LEU 5 13.618 -0.001 -3.052
37 HB2 LEU 5 HB2 LEU 5 11.588 -1.204 -1.134
38 HB3 LEU 5 HB1 LEU 5 11.952 0.511 -1.290
39 HG LEU 5 HG LEU 5 9.993 0.186 -2.592
40 HD11 LEU 5 HD11 LEU 5 10.676 1.035 -4.620
41 HD12 LEU 5 HD12 LEU 5 11.950 -0.169 -4.813
42 HD13 LEU 5 HD13 LEU 5 12.189 1.202 -3.729
43 HD21 LEU 5 HD21 LEU 5 9.424 -1.755 -3.618
44 HD22 LEU 5 HD22 LEU 5 10.791 -2.451 -2.750
45 HD23 LEU 5 HD23 LEU 5 10.992 -1.897 -4.411
46 H CYS 6 HN CYS 6 15.588 0.152 -2.216
47 HA CYS 6 HA CYS 6 16.066 -0.739 0.581
48 HB2 CYS 6 HB2 CYS 6 17.068 -2.001 -1.839
49 HB3 CYS 6 HB1 CYS 6 18.404 -1.413 -0.850
50 H TYR 7 HN TYR 7 16.840 0.931 1.616
51 HA TYR 7 HA TYR 7 19.058 2.532 0.645
52 HB2 TYR 7 HB2 TYR 7 17.312 4.576 0.963
53 HB3 TYR 7 HB1 TYR 7 17.550 3.802 -0.597
54 HD1 TYR 7 HD1 TYR 7 15.877 2.918 -1.665
55 HD2 TYR 7 HD2 TYR 7 15.688 3.458 2.552
56 HE1 TYR 7 HE1 TYR 7 13.553 2.147 -1.719
57 HE2 TYR 7 HE2 TYR 7 13.355 2.698 2.563
58 HH TYR 7 HH TYR 7 11.380 2.700 0.511
59 H CYS 8 HN CYS 8 19.620 4.032 2.267
60 HA CYS 8 HA CYS 8 18.278 3.817 4.892
61 HB2 CYS 8 HB2 CYS 8 19.939 1.953 4.405
62 HB3 CYS 8 HB1 CYS 8 21.189 3.188 4.547
63 H ARG 9 HN ARG 9 18.105 5.796 5.540
64 HA ARG 9 HA ARG 9 20.305 7.784 5.232
65 HB2 ARG 9 HB2 ARG 9 17.353 7.847 4.703
66 HB3 ARG 9 HB1 ARG 9 18.167 9.339 5.172
67 HG2 ARG 9 HG2 ARG 9 18.333 9.365 2.834
68 HG3 ARG 9 HG1 ARG 9 19.888 8.706 3.338
69 HD2 ARG 9 HD2 ARG 9 18.117 6.495 3.120
70 HD3 ARG 9 HD1 ARG 9 17.902 7.477 1.658
71 HE ARG 9 HE ARG 9 20.589 6.570 2.631
72 HH11 ARG 9 HH11 ARG 9 18.331 6.104 0.216
73 HH12 ARG 9 HH12 ARG 9 19.414 6.387 -1.106
74 HH21 ARG 9 HH21 ARG 9 22.003 7.512 0.908
75 HH22 ARG 9 HH22 ARG 9 21.492 7.184 -0.714
76 HA PRO 10 HA PRO 10 20.030 7.882 9.649
77 HB2 PRO 10 HB2 PRO 10 20.832 10.501 10.059
78 HB3 PRO 10 HB1 PRO 10 21.945 9.151 9.750
79 HG2 PRO 10 HG2 PRO 10 20.798 11.124 7.807
80 HG3 PRO 10 HG1 PRO 10 22.480 10.588 7.996
81 HD2 PRO 10 HD2 PRO 10 20.997 9.539 6.073
82 HD3 PRO 10 HD1 PRO 10 22.039 8.471 7.047
83 H ARG 11 HN ARG 11 18.226 9.875 7.500
84 HA ARG 11 HA ARG 11 16.482 11.079 9.514
85 HB2 ARG 11 HB2 ARG 11 16.508 10.874 6.514
86 HB3 ARG 11 HB1 ARG 11 15.261 11.750 7.403
87 HG2 ARG 11 HG2 ARG 11 16.880 13.272 8.328
88 HG3 ARG 11 HG1 ARG 11 18.221 12.303 7.714
89 HD2 ARG 11 HD2 ARG 11 17.909 14.202 6.218
90 HD3 ARG 11 HD1 ARG 11 17.347 12.746 5.372
91 HE ARG 11 HE ARG 11 15.088 13.603 6.702
92 HH11 ARG 11 HH11 ARG 11 16.599 14.186 3.805
93 HH12 ARG 11 HH12 ARG 11 15.823 15.700 3.481
94 HH21 ARG 11 HH21 ARG 11 14.411 15.954 6.638
95 HH22 ARG 11 HH22 ARG 11 14.584 16.701 5.085
96 H PHE 12 HN PHE 12 16.603 8.293 7.502
97 HA PHE 12 HA PHE 12 14.488 6.849 8.896
98 HB2 PHE 12 HB2 PHE 12 13.024 6.814 6.835
99 HB3 PHE 12 HB1 PHE 12 13.163 8.440 7.527
100 HD1 PHE 12 HD1 PHE 12 14.486 10.127 6.508
101 HD2 PHE 12 HD2 PHE 12 14.353 6.185 4.845
102 HE1 PHE 12 HE1 PHE 12 15.604 10.972 4.475
103 HE2 PHE 12 HE2 PHE 12 15.455 7.014 2.791
104 HZ PHE 12 HZ PHE 12 16.085 9.414 2.589
105 H CYS 13 HN CYS 13 14.449 4.573 7.856
106 HA CYS 13 HA CYS 13 16.071 4.195 5.515
107 HB2 CYS 13 HB2 CYS 13 17.959 4.632 6.765
108 HB3 CYS 13 HB1 CYS 13 17.229 4.077 8.263
109 H VAL 14 HN VAL 14 15.447 2.249 4.649
110 HA VAL 14 HA VAL 14 14.808 -0.082 6.295
111 HB VAL 14 HB VAL 14 12.809 1.841 5.276
112 HG11 VAL 14 HG11 VAL 14 12.228 0.110 3.737
113 HG12 VAL 14 HG12 VAL 14 11.103 -0.058 5.085
114 HG13 VAL 14 HG13 VAL 14 12.484 -1.147 4.948
115 HG21 VAL 14 HG21 VAL 14 12.712 1.680 7.566
116 HG22 VAL 14 HG22 VAL 14 13.231 -0.006 7.572
117 HG23 VAL 14 HG23 VAL 14 11.565 0.402 7.162
118 H CYS 15 HN CYS 15 14.415 -1.960 4.978
119 HA CYS 15 HA CYS 15 15.044 -1.637 2.065
120 HB2 CYS 15 HB2 CYS 15 16.540 -2.892 4.212
121 HB3 CYS 15 HB1 CYS 15 16.136 -4.074 2.968
122 H VAL 16 HN VAL 16 13.467 -2.561 0.876
123 HA VAL 16 HA VAL 16 12.252 -5.136 1.639
124 HB VAL 16 HB VAL 16 10.688 -2.548 1.319
125 HG11 VAL 16 HG11 VAL 16 8.701 -3.798 1.457
126 HG12 VAL 16 HG12 VAL 16 9.529 -5.217 2.097
127 HG13 VAL 16 HG13 VAL 16 9.708 -4.784 0.398
128 HG21 VAL 16 HG21 VAL 16 11.585 -2.602 3.526
129 HG22 VAL 16 HG22 VAL 16 11.299 -4.335 3.681
130 HG23 VAL 16 HG23 VAL 16 9.939 -3.213 3.687
131 H GLY 17 HN GLY 17 12.206 -6.297 -0.174
132 HA2 GLY 17 HA2 GLY 17 11.184 -5.213 -2.639
133 HA3 GLY 17 HA1 GLY 17 12.935 -5.437 -2.696
134 H ARG 18 HN ARG 18 9.916 -6.975 -2.939
135 HA ARG 18 HA ARG 18 11.242 -9.429 -3.638
136 HB2 ARG 18 HB2 ARG 18 10.750 -10.710 -1.734
137 HB3 ARG 18 HB1 ARG 18 11.175 -9.137 -1.053
138 HG2 ARG 18 HG2 ARG 18 8.372 -10.180 -1.551
139 HG3 ARG 18 HG1 ARG 18 9.147 -9.957 0.015
140 HD2 ARG 18 HD2 ARG 18 8.420 -7.771 -1.966
141 HD3 ARG 18 HD1 ARG 18 7.705 -8.042 -0.365
142 HE ARG 18 HE ARG 18 10.162 -6.659 -0.823
143 HH11 ARG 18 HH11 ARG 18 8.275 -7.212 1.679
144 HH12 ARG 18 HH12 ARG 18 9.483 -7.714 2.815
145 HH21 ARG 18 HH21 ARG 18 11.950 -8.130 0.416
146 HH22 ARG 18 HH22 ARG 18 11.560 -8.234 2.100
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 13.734 -7.385 -11.735
2 H2 ARG 1 HT2 ARG 1 14.942 -7.483 -10.543
3 H3 ARG 1 HT3 ARG 1 14.104 -6.026 -10.790
4 HA ARG 1 HA ARG 1 12.821 -8.543 -9.854
5 HB2 ARG 1 HB2 ARG 1 14.685 -7.015 -8.534
6 HB3 ARG 1 HB1 ARG 1 13.185 -6.222 -8.058
7 HG2 ARG 1 HG2 ARG 1 13.606 -7.952 -6.440
8 HG3 ARG 1 HG1 ARG 1 12.276 -8.508 -7.456
9 HD2 ARG 1 HD2 ARG 1 13.910 -10.328 -7.150
10 HD3 ARG 1 HD1 ARG 1 13.932 -9.793 -8.841
11 HE ARG 1 HE ARG 1 15.795 -8.286 -7.190
12 HH11 ARG 1 HH11 ARG 1 17.372 -8.293 -9.161
13 HH12 ARG 1 HH12 ARG 1 18.127 -9.835 -9.390
14 HH21 ARG 1 HH21 ARG 1 15.861 -11.539 -7.395
15 HH22 ARG 1 HH22 ARG 1 17.271 -11.672 -8.392
16 H GLY 2 HN GLY 2 10.606 -8.181 -9.246
17 HA2 GLY 2 HA2 GLY 2 9.200 -6.228 -10.838
18 HA3 GLY 2 HA1 GLY 2 8.472 -7.254 -9.600
19 H GLY 3 HN GLY 3 10.202 -6.377 -7.455
20 HA2 GLY 3 HA2 GLY 3 9.822 -3.468 -7.211
21 HA3 GLY 3 HA1 GLY 3 8.854 -4.453 -6.112
22 H ARG 4 HN ARG 4 11.603 -2.761 -6.267
23 HA ARG 4 HA ARG 4 12.662 -4.335 -4.069
24 HB2 ARG 4 HB2 ARG 4 14.992 -4.002 -4.999
25 HB3 ARG 4 HB1 ARG 4 13.984 -5.152 -5.869
26 HG2 ARG 4 HG2 ARG 4 14.184 -2.252 -6.686
27 HG3 ARG 4 HG1 ARG 4 15.298 -3.475 -7.289
28 HD2 ARG 4 HD2 ARG 4 13.774 -4.078 -8.837
29 HD3 ARG 4 HD1 ARG 4 12.629 -4.493 -7.547
30 HE ARG 4 HE ARG 4 12.293 -1.881 -7.486
31 HH11 ARG 4 HH11 ARG 4 11.053 -3.910 -9.639
32 HH12 ARG 4 HH12 ARG 4 11.035 -2.847 -11.006
33 HH21 ARG 4 HH21 ARG 4 13.067 -0.465 -9.515
34 HH22 ARG 4 HH22 ARG 4 12.175 -0.897 -10.936
35 H LEU 5 HN LEU 5 12.406 -2.877 -2.506
36 HA LEU 5 HA LEU 5 13.333 -0.107 -3.038
37 HB2 LEU 5 HB2 LEU 5 11.402 -1.195 -0.955
38 HB3 LEU 5 HB1 LEU 5 11.767 0.506 -1.219
39 HG LEU 5 HG LEU 5 9.737 0.164 -2.376
40 HD11 LEU 5 HD11 LEU 5 11.860 1.035 -3.741
41 HD12 LEU 5 HD12 LEU 5 10.286 0.837 -4.510
42 HD13 LEU 5 HD13 LEU 5 11.521 -0.407 -4.699
43 HD21 LEU 5 HD21 LEU 5 10.658 -2.139 -4.010
44 HD22 LEU 5 HD22 LEU 5 9.060 -1.796 -3.347
45 HD23 LEU 5 HD23 LEU 5 10.318 -2.472 -2.312
46 H CYS 6 HN CYS 6 15.316 0.118 -2.254
47 HA CYS 6 HA CYS 6 15.930 -0.765 0.520
48 HB2 CYS 6 HB2 CYS 6 16.847 -2.006 -1.944
49 HB3 CYS 6 HB1 CYS 6 18.216 -1.386 -1.022
50 H TYR 7 HN TYR 7 16.721 0.923 1.522
51 HA TYR 7 HA TYR 7 18.861 2.564 0.450
52 HB2 TYR 7 HB2 TYR 7 17.098 4.578 0.840
53 HB3 TYR 7 HB1 TYR 7 17.277 3.800 -0.726
54 HD1 TYR 7 HD1 TYR 7 15.573 2.874 -1.710
55 HD2 TYR 7 HD2 TYR 7 15.570 3.448 2.507
56 HE1 TYR 7 HE1 TYR 7 13.265 2.060 -1.650
57 HE2 TYR 7 HE2 TYR 7 13.253 2.645 2.631
58 HH TYR 7 HH TYR 7 11.776 0.947 0.931
59 H CYS 8 HN CYS 8 19.469 4.075 2.040
60 HA CYS 8 HA CYS 8 18.268 3.819 4.733
61 HB2 CYS 8 HB2 CYS 8 19.972 2.024 4.145
62 HB3 CYS 8 HB1 CYS 8 21.178 3.308 4.220
63 H ARG 9 HN ARG 9 18.063 5.785 5.416
64 HA ARG 9 HA ARG 9 20.142 7.872 4.944
65 HB2 ARG 9 HB2 ARG 9 17.151 7.804 4.726
66 HB3 ARG 9 HB1 ARG 9 17.945 9.326 5.126
67 HG2 ARG 9 HG2 ARG 9 17.849 9.373 2.782
68 HG3 ARG 9 HG1 ARG 9 19.483 8.802 3.111
69 HD2 ARG 9 HD2 ARG 9 17.829 6.493 3.056
70 HD3 ARG 9 HD1 ARG 9 17.403 7.469 1.637
71 HE ARG 9 HE ARG 9 20.213 6.675 2.307
72 HH11 ARG 9 HH11 ARG 9 19.415 5.012 0.202
73 HH12 ARG 9 HH12 ARG 9 19.632 5.937 -1.246
74 HH21 ARG 9 HH21 ARG 9 19.759 8.985 0.402
75 HH22 ARG 9 HH22 ARG 9 19.827 8.186 -1.133
76 HA PRO 10 HA PRO 10 20.294 7.912 9.372
77 HB2 PRO 10 HB2 PRO 10 21.063 10.548 9.730
78 HB3 PRO 10 HB1 PRO 10 22.178 9.231 9.303
79 HG2 PRO 10 HG2 PRO 10 20.803 11.192 7.500
80 HG3 PRO 10 HG1 PRO 10 22.507 10.693 7.522
81 HD2 PRO 10 HD2 PRO 10 20.863 9.631 5.738
82 HD3 PRO 10 HD1 PRO 10 22.027 8.582 6.586
83 H ARG 11 HN ARG 11 18.227 9.832 7.417
84 HA ARG 11 HA ARG 11 16.653 10.971 9.607
85 HB2 ARG 11 HB2 ARG 11 16.323 10.836 6.618
86 HB3 ARG 11 HB1 ARG 11 15.280 11.773 7.687
87 HG2 ARG 11 HG2 ARG 11 18.270 12.145 7.327
88 HG3 ARG 11 HG1 ARG 11 17.013 13.214 6.708
89 HD2 ARG 11 HD2 ARG 11 17.566 12.642 9.645
90 HD3 ARG 11 HD1 ARG 11 17.918 14.153 8.787
91 HE ARG 11 HE ARG 11 15.149 13.078 9.166
92 HH11 ARG 11 HH11 ARG 11 14.453 14.953 10.654
93 HH12 ARG 11 HH12 ARG 11 14.581 16.504 9.893
94 HH21 ARG 11 HH21 ARG 11 16.601 15.366 7.314
95 HH22 ARG 11 HH22 ARG 11 15.798 16.737 8.002
96 H PHE 12 HN PHE 12 16.675 8.232 7.544
97 HA PHE 12 HA PHE 12 14.702 6.724 9.066
98 HB2 PHE 12 HB2 PHE 12 13.081 6.680 7.127
99 HB3 PHE 12 HB1 PHE 12 13.239 8.302 7.825
100 HD1 PHE 12 HD1 PHE 12 14.260 6.102 5.031
101 HD2 PHE 12 HD2 PHE 12 14.441 10.026 6.730
102 HE1 PHE 12 HE1 PHE 12 15.189 6.978 2.911
103 HE2 PHE 12 HE2 PHE 12 15.359 10.923 4.621
104 HZ PHE 12 HZ PHE 12 15.733 9.396 2.687
105 H CYS 13 HN CYS 13 14.637 4.461 7.993
106 HA CYS 13 HA CYS 13 16.109 4.162 5.539
107 HB2 CYS 13 HB2 CYS 13 18.054 4.631 6.690
108 HB3 CYS 13 HB1 CYS 13 17.434 4.010 8.212
109 H VAL 14 HN VAL 14 15.489 2.211 4.680
110 HA VAL 14 HA VAL 14 14.988 -0.152 6.329
111 HB VAL 14 HB VAL 14 12.901 1.743 5.448
112 HG11 VAL 14 HG11 VAL 14 12.565 -1.252 5.160
113 HG12 VAL 14 HG12 VAL 14 12.329 -0.027 3.912
114 HG13 VAL 14 HG13 VAL 14 11.210 -0.129 5.272
115 HG21 VAL 14 HG21 VAL 14 13.498 -0.106 7.696
116 HG22 VAL 14 HG22 VAL 14 11.797 0.237 7.380
117 HG23 VAL 14 HG23 VAL 14 12.914 1.557 7.733
118 H CYS 15 HN CYS 15 14.557 -2.021 5.017
119 HA CYS 15 HA CYS 15 15.022 -1.657 2.077
120 HB2 CYS 15 HB2 CYS 15 16.648 -2.916 4.125
121 HB3 CYS 15 HB1 CYS 15 16.190 -4.091 2.894
122 H VAL 16 HN VAL 16 13.409 -2.602 0.953
123 HA VAL 16 HA VAL 16 12.260 -5.190 1.756
124 HB VAL 16 HB VAL 16 10.677 -2.602 1.580
125 HG11 VAL 16 HG11 VAL 16 8.773 -4.201 2.285
126 HG12 VAL 16 HG12 VAL 16 9.826 -5.497 1.718
127 HG13 VAL 16 HG13 VAL 16 9.283 -4.248 0.597
128 HG21 VAL 16 HG21 VAL 16 11.389 -4.488 3.832
129 HG22 VAL 16 HG22 VAL 16 10.008 -3.395 3.943
130 HG23 VAL 16 HG23 VAL 16 11.635 -2.743 3.749
131 H GLY 17 HN GLY 17 12.040 -6.337 -0.043
132 HA2 GLY 17 HA2 GLY 17 10.963 -5.194 -2.465
133 HA3 GLY 17 HA1 GLY 17 12.693 -5.526 -2.591
134 H ARG 18 HN ARG 18 9.588 -6.874 -2.720
135 HA ARG 18 HA ARG 18 10.715 -9.406 -3.469
136 HB2 ARG 18 HB2 ARG 18 10.193 -10.655 -1.531
137 HB3 ARG 18 HB1 ARG 18 10.848 -9.143 -0.899
138 HG2 ARG 18 HG2 ARG 18 7.901 -9.793 -1.212
139 HG3 ARG 18 HG1 ARG 18 8.800 -9.822 0.302
140 HD2 ARG 18 HD2 ARG 18 8.021 -7.665 0.461
141 HD3 ARG 18 HD1 ARG 18 9.415 -7.317 -0.580
142 HE ARG 18 HE ARG 18 7.900 -6.943 -2.350
143 HH11 ARG 18 HH11 ARG 18 6.088 -7.607 0.370
144 HH12 ARG 18 HH12 ARG 18 4.703 -8.214 -0.473
145 HH21 ARG 18 HH21 ARG 18 6.269 -8.264 -3.565
146 HH22 ARG 18 HH22 ARG 18 4.805 -8.586 -2.697
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 14.387 -8.513 -9.604
2 H2 ARG 1 HT2 ARG 1 14.120 -6.850 -9.386
3 H3 ARG 1 HT3 ARG 1 13.940 -7.547 -10.925
4 HA ARG 1 HA ARG 1 12.050 -8.861 -10.124
5 HB2 ARG 1 HB2 ARG 1 13.300 -8.395 -7.724
6 HB3 ARG 1 HB1 ARG 1 11.936 -7.283 -7.628
7 HG2 ARG 1 HG2 ARG 1 10.350 -9.024 -7.879
8 HG3 ARG 1 HG1 ARG 1 11.564 -10.155 -8.476
9 HD2 ARG 1 HD2 ARG 1 11.921 -9.003 -5.726
10 HD3 ARG 1 HD1 ARG 1 10.751 -10.318 -5.962
11 HE ARG 1 HE ARG 1 13.609 -10.531 -6.842
12 HH11 ARG 1 HH11 ARG 1 12.796 -11.643 -4.148
13 HH12 ARG 1 HH12 ARG 1 12.489 -13.303 -4.536
14 HH21 ARG 1 HH21 ARG 1 12.301 -12.745 -7.955
15 HH22 ARG 1 HH22 ARG 1 12.207 -13.926 -6.692
16 H GLY 2 HN GLY 2 10.034 -7.321 -8.830
17 HA2 GLY 2 HA2 GLY 2 9.831 -5.031 -10.733
18 HA3 GLY 2 HA1 GLY 2 8.452 -5.874 -10.027
19 H GLY 3 HN GLY 3 9.920 -5.885 -7.358
20 HA2 GLY 3 HA2 GLY 3 9.637 -2.990 -6.678
21 HA3 GLY 3 HA1 GLY 3 8.840 -4.223 -5.700
22 H ARG 4 HN ARG 4 11.691 -2.461 -6.172
23 HA ARG 4 HA ARG 4 12.967 -4.187 -4.136
24 HB2 ARG 4 HB2 ARG 4 14.318 -2.692 -6.406
25 HB3 ARG 4 HB1 ARG 4 15.122 -3.714 -5.223
26 HG2 ARG 4 HG2 ARG 4 14.900 -5.157 -7.053
27 HG3 ARG 4 HG1 ARG 4 13.510 -5.577 -6.057
28 HD2 ARG 4 HD2 ARG 4 13.284 -5.067 -8.698
29 HD3 ARG 4 HD1 ARG 4 11.994 -4.665 -7.559
30 HE ARG 4 HE ARG 4 12.789 -2.346 -7.556
31 HH11 ARG 4 HH11 ARG 4 12.369 -1.720 -10.064
32 HH12 ARG 4 HH12 ARG 4 13.873 -1.680 -10.922
33 HH21 ARG 4 HH21 ARG 4 15.592 -3.504 -8.525
34 HH22 ARG 4 HH22 ARG 4 15.698 -2.690 -10.051
35 H LEU 5 HN LEU 5 12.623 -2.881 -2.379
36 HA LEU 5 HA LEU 5 13.367 -0.004 -2.631
37 HB2 LEU 5 HB2 LEU 5 11.464 -1.421 -0.729
38 HB3 LEU 5 HB1 LEU 5 11.743 0.316 -0.790
39 HG LEU 5 HG LEU 5 9.751 -0.025 -2.035
40 HD11 LEU 5 HD11 LEU 5 10.314 0.993 -4.018
41 HD12 LEU 5 HD12 LEU 5 11.620 -0.145 -4.351
42 HD13 LEU 5 HD13 LEU 5 11.861 1.157 -3.186
43 HD21 LEU 5 HD21 LEU 5 10.758 -1.933 -4.027
44 HD22 LEU 5 HD22 LEU 5 9.231 -1.930 -3.147
45 HD23 LEU 5 HD23 LEU 5 10.677 -2.605 -2.399
46 H CYS 6 HN CYS 6 15.379 0.144 -1.866
47 HA CYS 6 HA CYS 6 15.935 -0.687 0.902
48 HB2 CYS 6 HB2 CYS 6 16.386 -2.716 -0.438
49 HB3 CYS 6 HB1 CYS 6 17.479 -1.794 -1.469
50 H TYR 7 HN TYR 7 16.880 0.949 1.779
51 HA TYR 7 HA TYR 7 19.201 2.292 0.683
52 HB2 TYR 7 HB2 TYR 7 17.681 4.498 0.826
53 HB3 TYR 7 HB1 TYR 7 17.729 3.546 -0.653
54 HD1 TYR 7 HD1 TYR 7 15.921 2.691 -1.505
55 HD2 TYR 7 HD2 TYR 7 16.041 3.795 2.603
56 HE1 TYR 7 HE1 TYR 7 13.537 2.165 -1.346
57 HE2 TYR 7 HE2 TYR 7 13.650 3.290 2.824
58 HH TYR 7 HH TYR 7 11.558 3.054 0.371
59 H CYS 8 HN CYS 8 19.880 3.865 2.218
60 HA CYS 8 HA CYS 8 18.547 3.791 4.871
61 HB2 CYS 8 HB2 CYS 8 20.347 2.017 4.370
62 HB3 CYS 8 HB1 CYS 8 21.486 3.352 4.539
63 H ARG 9 HN ARG 9 18.302 5.784 5.452
64 HA ARG 9 HA ARG 9 20.447 7.820 5.106
65 HB2 ARG 9 HB2 ARG 9 17.621 8.707 4.817
66 HB3 ARG 9 HB1 ARG 9 19.049 9.252 3.949
67 HG2 ARG 9 HG2 ARG 9 17.691 6.581 3.458
68 HG3 ARG 9 HG1 ARG 9 17.359 8.031 2.527
69 HD2 ARG 9 HD2 ARG 9 19.529 6.139 2.203
70 HD3 ARG 9 HD1 ARG 9 19.083 7.501 1.168
71 HE ARG 9 HE ARG 9 21.031 7.606 3.405
72 HH11 ARG 9 HH11 ARG 9 20.663 8.492 0.282
73 HH12 ARG 9 HH12 ARG 9 21.044 10.170 0.480
74 HH21 ARG 9 HH21 ARG 9 20.915 10.063 3.943
75 HH22 ARG 9 HH22 ARG 9 21.187 11.059 2.554
76 HA PRO 10 HA PRO 10 19.754 8.238 9.430
77 HB2 PRO 10 HB2 PRO 10 20.267 10.950 9.712
78 HB3 PRO 10 HB1 PRO 10 21.520 9.693 9.610
79 HG2 PRO 10 HG2 PRO 10 20.378 11.389 7.412
80 HG3 PRO 10 HG1 PRO 10 22.081 11.059 7.800
81 HD2 PRO 10 HD2 PRO 10 20.949 9.699 5.851
82 HD3 PRO 10 HD1 PRO 10 21.934 8.815 7.045
83 H ARG 11 HN ARG 11 17.967 9.973 7.035
84 HA ARG 11 HA ARG 11 15.970 11.155 8.776
85 HB2 ARG 11 HB2 ARG 11 16.038 10.421 5.849
86 HB3 ARG 11 HB1 ARG 11 14.795 11.427 6.595
87 HG2 ARG 11 HG2 ARG 11 17.746 12.086 6.734
88 HG3 ARG 11 HG1 ARG 11 16.689 12.693 5.459
89 HD2 ARG 11 HD2 ARG 11 15.799 13.044 8.300
90 HD3 ARG 11 HD1 ARG 11 17.064 14.118 7.669
91 HE ARG 11 HE ARG 11 14.329 13.839 6.502
92 HH11 ARG 11 HH11 ARG 11 14.061 16.357 6.993
93 HH12 ARG 11 HH12 ARG 11 15.067 17.300 5.944
94 HH21 ARG 11 HH21 ARG 11 17.076 14.626 5.030
95 HH22 ARG 11 HH22 ARG 11 16.774 16.320 4.832
96 H PHE 12 HN PHE 12 16.409 8.170 7.065
97 HA PHE 12 HA PHE 12 14.553 6.626 8.696
98 HB2 PHE 12 HB2 PHE 12 12.988 6.243 6.752
99 HB3 PHE 12 HB1 PHE 12 12.974 7.930 7.298
100 HD1 PHE 12 HD1 PHE 12 13.952 9.658 6.035
101 HD2 PHE 12 HD2 PHE 12 14.340 5.589 4.759
102 HE1 PHE 12 HE1 PHE 12 14.827 10.446 3.864
103 HE2 PHE 12 HE2 PHE 12 15.205 6.360 2.571
104 HZ PHE 12 HZ PHE 12 15.450 8.792 2.108
105 H CYS 13 HN CYS 13 14.643 4.287 7.792
106 HA CYS 13 HA CYS 13 16.258 3.904 5.427
107 HB2 CYS 13 HB2 CYS 13 18.094 4.536 6.672
108 HB3 CYS 13 HB1 CYS 13 17.416 3.940 8.179
109 H VAL 14 HN VAL 14 15.547 1.980 4.617
110 HA VAL 14 HA VAL 14 15.191 -0.404 6.281
111 HB VAL 14 HB VAL 14 12.986 1.401 5.423
112 HG11 VAL 14 HG11 VAL 14 12.445 -0.517 4.051
113 HG12 VAL 14 HG12 VAL 14 11.380 -0.544 5.455
114 HG13 VAL 14 HG13 VAL 14 12.775 -1.621 5.386
115 HG21 VAL 14 HG21 VAL 14 13.779 -0.259 7.763
116 HG22 VAL 14 HG22 VAL 14 12.052 -0.003 7.512
117 HG23 VAL 14 HG23 VAL 14 13.128 1.380 7.715
118 H CYS 15 HN CYS 15 14.763 -2.290 4.938
119 HA CYS 15 HA CYS 15 14.998 -1.830 1.991
120 HB2 CYS 15 HB2 CYS 15 16.705 -3.480 3.849
121 HB3 CYS 15 HB1 CYS 15 16.618 -3.858 2.129
122 H VAL 16 HN VAL 16 13.281 -2.804 1.068
123 HA VAL 16 HA VAL 16 12.580 -5.591 1.697
124 HB VAL 16 HB VAL 16 10.707 -3.236 2.121
125 HG11 VAL 16 HG11 VAL 16 10.222 -6.191 1.848
126 HG12 VAL 16 HG12 VAL 16 9.292 -4.846 1.185
127 HG13 VAL 16 HG13 VAL 16 9.186 -5.230 2.904
128 HG21 VAL 16 HG21 VAL 16 11.981 -5.278 3.947
129 HG22 VAL 16 HG22 VAL 16 10.518 -4.410 4.415
130 HG23 VAL 16 HG23 VAL 16 12.005 -3.520 4.087
131 H GLY 17 HN GLY 17 12.290 -6.523 -0.228
132 HA2 GLY 17 HA2 GLY 17 10.642 -5.304 -2.260
133 HA3 GLY 17 HA1 GLY 17 12.355 -5.287 -2.687
134 H ARG 18 HN ARG 18 9.540 -7.149 -2.623
135 HA ARG 18 HA ARG 18 10.939 -9.325 -3.865
136 HB2 ARG 18 HB2 ARG 18 10.892 -10.888 -2.082
137 HB3 ARG 18 HB1 ARG 18 11.429 -9.379 -1.340
138 HG2 ARG 18 HG2 ARG 18 8.568 -10.389 -1.339
139 HG3 ARG 18 HG1 ARG 18 9.696 -10.549 0.006
140 HD2 ARG 18 HD2 ARG 18 8.742 -8.563 0.656
141 HD3 ARG 18 HD1 ARG 18 9.905 -7.877 -0.495
142 HE ARG 18 HE ARG 18 7.468 -8.787 -1.795
143 HH11 ARG 18 HH11 ARG 18 7.322 -6.864 -3.296
144 HH12 ARG 18 HH12 ARG 18 7.009 -5.360 -2.496
145 HH21 ARG 18 HH21 ARG 18 7.771 -6.573 0.660
146 HH22 ARG 18 HH22 ARG 18 7.263 -5.195 -0.258
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 11.553 -5.900 -12.735
2 H2 ARG 1 HT2 ARG 1 13.128 -6.142 -12.148
3 H3 ARG 1 HT3 ARG 1 12.051 -5.135 -11.305
4 HA ARG 1 HA ARG 1 11.538 -8.032 -11.724
5 HB2 ARG 1 HB2 ARG 1 13.667 -6.929 -10.368
6 HB3 ARG 1 HB1 ARG 1 12.451 -7.044 -9.095
7 HG2 ARG 1 HG2 ARG 1 12.221 -9.389 -9.371
8 HG3 ARG 1 HG1 ARG 1 13.042 -9.367 -10.932
9 HD2 ARG 1 HD2 ARG 1 14.857 -8.235 -9.054
10 HD3 ARG 1 HD1 ARG 1 14.206 -9.716 -8.323
11 HE ARG 1 HE ARG 1 14.935 -9.978 -11.156
12 HH11 ARG 1 HH11 ARG 1 15.372 -12.435 -10.576
13 HH12 ARG 1 HH12 ARG 1 16.853 -12.620 -9.699
14 HH21 ARG 1 HH21 ARG 1 17.078 -9.267 -8.845
15 HH22 ARG 1 HH22 ARG 1 17.819 -10.828 -8.719
16 H GLY 2 HN GLY 2 10.606 -8.264 -9.037
17 HA2 GLY 2 HA2 GLY 2 7.932 -7.178 -9.325
18 HA3 GLY 2 HA1 GLY 2 8.534 -8.078 -7.931
19 H GLY 3 HN GLY 3 10.847 -6.181 -7.667
20 HA2 GLY 3 HA2 GLY 3 10.480 -3.539 -7.342
21 HA3 GLY 3 HA1 GLY 3 9.403 -4.143 -6.084
22 H ARG 4 HN ARG 4 12.322 -2.856 -6.426
23 HA ARG 4 HA ARG 4 13.316 -4.430 -4.136
24 HB2 ARG 4 HB2 ARG 4 14.929 -3.314 -6.447
25 HB3 ARG 4 HB1 ARG 4 15.590 -4.181 -5.067
26 HG2 ARG 4 HG2 ARG 4 15.431 -5.885 -6.655
27 HG3 ARG 4 HG1 ARG 4 13.927 -6.073 -5.762
28 HD2 ARG 4 HD2 ARG 4 14.009 -5.950 -8.465
29 HD3 ARG 4 HD1 ARG 4 12.631 -5.346 -7.540
30 HE ARG 4 HE ARG 4 13.503 -3.084 -7.797
31 HH11 ARG 4 HH11 ARG 4 14.003 -4.951 -10.411
32 HH12 ARG 4 HH12 ARG 4 15.422 -4.150 -10.996
33 HH21 ARG 4 HH21 ARG 4 15.899 -2.304 -8.100
34 HH22 ARG 4 HH22 ARG 4 16.496 -2.651 -9.689
35 H LEU 5 HN LEU 5 12.885 -2.913 -2.585
36 HA LEU 5 HA LEU 5 13.877 -0.140 -3.052
37 HB2 LEU 5 HB2 LEU 5 11.660 -1.186 -1.252
38 HB3 LEU 5 HB1 LEU 5 12.083 0.507 -1.480
39 HG LEU 5 HG LEU 5 10.227 0.156 -2.911
40 HD11 LEU 5 HD11 LEU 5 11.091 0.890 -4.901
41 HD12 LEU 5 HD12 LEU 5 12.281 -0.408 -4.982
42 HD13 LEU 5 HD13 LEU 5 12.569 0.990 -3.947
43 HD21 LEU 5 HD21 LEU 5 9.658 -1.840 -3.812
44 HD22 LEU 5 HD22 LEU 5 10.973 -2.512 -2.852
45 HD23 LEU 5 HD23 LEU 5 11.254 -2.058 -4.531
46 H CYS 6 HN CYS 6 15.772 -0.004 -2.045
47 HA CYS 6 HA CYS 6 15.949 -0.681 0.825
48 HB2 CYS 6 HB2 CYS 6 16.527 -2.759 -0.404
49 HB3 CYS 6 HB1 CYS 6 17.786 -1.880 -1.271
50 H TYR 7 HN TYR 7 16.863 0.934 1.779
51 HA TYR 7 HA TYR 7 19.297 2.223 0.876
52 HB2 TYR 7 HB2 TYR 7 17.769 4.453 0.908
53 HB3 TYR 7 HB1 TYR 7 18.012 3.534 -0.571
54 HD1 TYR 7 HD1 TYR 7 15.938 3.655 2.461
55 HD2 TYR 7 HD2 TYR 7 16.318 2.747 -1.679
56 HE1 TYR 7 HE1 TYR 7 13.535 3.150 2.368
57 HE2 TYR 7 HE2 TYR 7 13.928 2.236 -1.837
58 HH TYR 7 HH TYR 7 11.697 3.171 0.387
59 H CYS 8 HN CYS 8 19.874 3.795 2.458
60 HA CYS 8 HA CYS 8 18.322 3.770 4.987
61 HB2 CYS 8 HB2 CYS 8 19.994 1.872 4.676
62 HB3 CYS 8 HB1 CYS 8 21.241 3.105 4.865
63 H ARG 9 HN ARG 9 18.139 5.766 5.560
64 HA ARG 9 HA ARG 9 20.364 7.733 5.276
65 HB2 ARG 9 HB2 ARG 9 17.429 7.785 4.660
66 HB3 ARG 9 HB1 ARG 9 18.232 9.288 5.111
67 HG2 ARG 9 HG2 ARG 9 18.453 9.243 2.775
68 HG3 ARG 9 HG1 ARG 9 20.000 8.619 3.344
69 HD2 ARG 9 HD2 ARG 9 18.261 6.380 3.147
70 HD3 ARG 9 HD1 ARG 9 18.078 7.313 1.648
71 HE ARG 9 HE ARG 9 20.719 6.394 2.721
72 HH11 ARG 9 HH11 ARG 9 22.232 7.438 1.133
73 HH12 ARG 9 HH12 ARG 9 21.812 7.197 -0.530
74 HH21 ARG 9 HH21 ARG 9 18.606 6.077 0.164
75 HH22 ARG 9 HH22 ARG 9 19.761 6.425 -1.079
76 HA PRO 10 HA PRO 10 19.929 7.955 9.682
77 HB2 PRO 10 HB2 PRO 10 20.790 10.562 10.048
78 HB3 PRO 10 HB1 PRO 10 21.876 9.174 9.818
79 HG2 PRO 10 HG2 PRO 10 20.859 11.124 7.782
80 HG3 PRO 10 HG1 PRO 10 22.515 10.543 8.047
81 HD2 PRO 10 HD2 PRO 10 21.064 9.491 6.098
82 HD3 PRO 10 HD1 PRO 10 22.049 8.422 7.127
83 H ARG 11 HN ARG 11 18.229 9.855 7.398
84 HA ARG 11 HA ARG 11 16.452 11.184 9.310
85 HB2 ARG 11 HB2 ARG 11 16.495 10.910 6.312
86 HB3 ARG 11 HB1 ARG 11 15.395 11.965 7.200
87 HG2 ARG 11 HG2 ARG 11 18.419 12.128 7.337
88 HG3 ARG 11 HG1 ARG 11 17.409 13.166 6.332
89 HD2 ARG 11 HD2 ARG 11 16.524 13.054 9.142
90 HD3 ARG 11 HD1 ARG 11 18.138 13.758 8.923
91 HE ARG 11 HE ARG 11 15.629 14.791 7.724
92 HH11 ARG 11 HH11 ARG 11 16.814 15.714 5.595
93 HH12 ARG 11 HH12 ARG 11 17.965 16.934 6.028
94 HH21 ARG 11 HH21 ARG 11 18.084 16.007 9.368
95 HH22 ARG 11 HH22 ARG 11 18.684 17.100 8.166
96 H PHE 12 HN PHE 12 16.598 8.346 7.388
97 HA PHE 12 HA PHE 12 14.372 7.004 8.700
98 HB2 PHE 12 HB2 PHE 12 13.014 6.938 6.571
99 HB3 PHE 12 HB1 PHE 12 13.161 8.583 7.215
100 HD1 PHE 12 HD1 PHE 12 14.425 6.210 4.672
101 HD2 PHE 12 HD2 PHE 12 14.576 10.199 6.215
102 HE1 PHE 12 HE1 PHE 12 15.661 6.943 2.658
103 HE2 PHE 12 HE2 PHE 12 15.801 10.954 4.210
104 HZ PHE 12 HZ PHE 12 16.348 9.322 2.406
105 H CYS 13 HN CYS 13 14.327 4.698 7.723
106 HA CYS 13 HA CYS 13 16.083 4.212 5.493
107 HB2 CYS 13 HB2 CYS 13 17.882 4.655 6.875
108 HB3 CYS 13 HB1 CYS 13 17.046 4.109 8.321
109 H VAL 14 HN VAL 14 15.384 2.302 4.620
110 HA VAL 14 HA VAL 14 14.636 -0.009 6.251
111 HB VAL 14 HB VAL 14 12.713 1.951 5.124
112 HG11 VAL 14 HG11 VAL 14 12.305 -1.043 4.984
113 HG12 VAL 14 HG12 VAL 14 12.130 0.131 3.679
114 HG13 VAL 14 HG13 VAL 14 10.961 0.100 5.000
115 HG21 VAL 14 HG21 VAL 14 13.079 0.262 7.539
116 HG22 VAL 14 HG22 VAL 14 11.416 0.617 7.072
117 HG23 VAL 14 HG23 VAL 14 12.539 1.936 7.407
118 H CYS 15 HN CYS 15 14.272 -1.883 4.914
119 HA CYS 15 HA CYS 15 14.829 -1.539 1.997
120 HB2 CYS 15 HB2 CYS 15 16.305 -3.132 4.081
121 HB3 CYS 15 HB1 CYS 15 16.324 -3.656 2.396
122 H VAL 16 HN VAL 16 13.157 -2.478 0.957
123 HA VAL 16 HA VAL 16 12.274 -5.203 1.660
124 HB VAL 16 HB VAL 16 10.441 -2.778 1.647
125 HG11 VAL 16 HG11 VAL 16 9.682 -5.175 0.772
126 HG12 VAL 16 HG12 VAL 16 8.623 -4.204 1.793
127 HG13 VAL 16 HG13 VAL 16 9.571 -5.512 2.499
128 HG21 VAL 16 HG21 VAL 16 11.477 -4.581 3.845
129 HG22 VAL 16 HG22 VAL 16 10.026 -3.599 4.045
130 HG23 VAL 16 HG23 VAL 16 11.581 -2.823 3.743
131 H GLY 17 HN GLY 17 12.231 -6.242 -0.226
132 HA2 GLY 17 HA2 GLY 17 10.819 -5.184 -2.495
133 HA3 GLY 17 HA1 GLY 17 12.566 -5.122 -2.730
134 H ARG 18 HN ARG 18 9.820 -7.098 -2.857
135 HA ARG 18 HA ARG 18 11.439 -9.266 -3.828
136 HB2 ARG 18 HB2 ARG 18 11.309 -10.723 -1.992
137 HB3 ARG 18 HB1 ARG 18 11.560 -9.148 -1.235
138 HG2 ARG 18 HG2 ARG 18 8.909 -10.581 -1.576
139 HG3 ARG 18 HG1 ARG 18 9.780 -10.324 -0.065
140 HD2 ARG 18 HD2 ARG 18 8.553 -8.176 -1.829
141 HD3 ARG 18 HD1 ARG 18 8.035 -8.642 -0.199
142 HE ARG 18 HE ARG 18 10.192 -6.859 -0.754
143 HH11 ARG 18 HH11 ARG 18 12.296 -8.130 0.210
144 HH12 ARG 18 HH12 ARG 18 12.092 -8.378 1.912
145 HH21 ARG 18 HH21 ARG 18 8.673 -7.813 1.858
146 HH22 ARG 18 HH22 ARG 18 10.044 -8.198 2.844
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 13.674 -7.142 -8.831
2 H2 ARG 1 HT2 ARG 1 13.712 -8.061 -10.259
3 H3 ARG 1 HT3 ARG 1 14.108 -8.781 -8.772
4 HA ARG 1 HA ARG 1 11.845 -9.380 -9.541
5 HB2 ARG 1 HB2 ARG 1 12.743 -8.148 -7.025
6 HB3 ARG 1 HB1 ARG 1 10.989 -8.163 -7.206
7 HG2 ARG 1 HG2 ARG 1 12.668 -10.622 -7.721
8 HG3 ARG 1 HG1 ARG 1 12.047 -10.235 -6.117
9 HD2 ARG 1 HD2 ARG 1 10.213 -11.425 -6.814
10 HD3 ARG 1 HD1 ARG 1 9.791 -9.923 -7.659
11 HE ARG 1 HE ARG 1 11.640 -11.375 -9.276
12 HH11 ARG 1 HH11 ARG 1 9.490 -13.338 -8.058
13 HH12 ARG 1 HH12 ARG 1 8.407 -13.436 -9.408
14 HH21 ARG 1 HH21 ARG 1 9.780 -10.706 -11.046
15 HH22 ARG 1 HH22 ARG 1 8.572 -11.946 -11.098
16 H GLY 2 HN GLY 2 9.578 -8.098 -8.618
17 HA2 GLY 2 HA2 GLY 2 9.183 -6.054 -10.678
18 HA3 GLY 2 HA1 GLY 2 7.944 -6.683 -9.592
19 H GLY 3 HN GLY 3 10.207 -6.035 -7.432
20 HA2 GLY 3 HA2 GLY 3 10.096 -3.110 -7.351
21 HA3 GLY 3 HA1 GLY 3 9.099 -3.903 -6.132
22 H ARG 4 HN ARG 4 12.026 -2.546 -6.597
23 HA ARG 4 HA ARG 4 13.151 -4.231 -4.440
24 HB2 ARG 4 HB2 ARG 4 14.681 -2.840 -6.663
25 HB3 ARG 4 HB1 ARG 4 15.356 -3.913 -5.445
26 HG2 ARG 4 HG2 ARG 4 15.138 -5.323 -7.308
27 HG3 ARG 4 HG1 ARG 4 13.693 -5.678 -6.368
28 HD2 ARG 4 HD2 ARG 4 13.578 -5.150 -9.004
29 HD3 ARG 4 HD1 ARG 4 12.283 -4.654 -7.909
30 HE ARG 4 HE ARG 4 13.260 -2.399 -7.866
31 HH11 ARG 4 HH11 ARG 4 15.443 -1.435 -8.494
32 HH12 ARG 4 HH12 ARG 4 15.841 -1.641 -10.167
33 HH21 ARG 4 HH21 ARG 4 13.418 -4.059 -10.719
34 HH22 ARG 4 HH22 ARG 4 14.694 -3.126 -11.427
35 H LEU 5 HN LEU 5 12.802 -2.862 -2.738
36 HA LEU 5 HA LEU 5 13.572 -0.003 -3.065
37 HB2 LEU 5 HB2 LEU 5 11.638 -1.383 -1.166
38 HB3 LEU 5 HB1 LEU 5 11.930 0.354 -1.234
39 HG LEU 5 HG LEU 5 9.963 0.021 -2.522
40 HD11 LEU 5 HD11 LEU 5 11.907 -0.146 -4.780
41 HD12 LEU 5 HD12 LEU 5 12.085 1.187 -3.640
42 HD13 LEU 5 HD13 LEU 5 10.575 0.980 -4.528
43 HD21 LEU 5 HD21 LEU 5 10.856 -2.572 -2.824
44 HD22 LEU 5 HD22 LEU 5 11.010 -1.929 -4.458
45 HD23 LEU 5 HD23 LEU 5 9.450 -1.887 -3.638
46 H CYS 6 HN CYS 6 15.556 0.205 -2.276
47 HA CYS 6 HA CYS 6 16.123 -0.701 0.494
48 HB2 CYS 6 HB2 CYS 6 17.091 -1.960 -1.927
49 HB3 CYS 6 HB1 CYS 6 18.449 -1.291 -1.022
50 H TYR 7 HN TYR 7 16.863 0.976 1.518
51 HA TYR 7 HA TYR 7 19.009 2.663 0.540
52 HB2 TYR 7 HB2 TYR 7 17.205 4.644 0.893
53 HB3 TYR 7 HB1 TYR 7 17.432 3.882 -0.674
54 HD1 TYR 7 HD1 TYR 7 15.643 3.487 2.511
55 HD2 TYR 7 HD2 TYR 7 15.770 2.937 -1.707
56 HE1 TYR 7 HE1 TYR 7 13.337 2.646 2.568
57 HE2 TYR 7 HE2 TYR 7 13.470 2.098 -1.716
58 HH TYR 7 HH TYR 7 11.389 2.424 0.994
59 H CYS 8 HN CYS 8 19.545 4.147 2.183
60 HA CYS 8 HA CYS 8 18.231 3.863 4.815
61 HB2 CYS 8 HB2 CYS 8 19.955 2.055 4.266
62 HB3 CYS 8 HB1 CYS 8 21.159 3.328 4.458
63 H ARG 9 HN ARG 9 18.034 5.816 5.532
64 HA ARG 9 HA ARG 9 20.161 7.877 5.165
65 HB2 ARG 9 HB2 ARG 9 17.174 7.882 4.837
66 HB3 ARG 9 HB1 ARG 9 18.012 9.383 5.226
67 HG2 ARG 9 HG2 ARG 9 17.991 9.389 2.880
68 HG3 ARG 9 HG1 ARG 9 19.587 8.744 3.264
69 HD2 ARG 9 HD2 ARG 9 17.818 6.519 3.212
70 HD3 ARG 9 HD1 ARG 9 17.480 7.485 1.761
71 HE ARG 9 HE ARG 9 20.283 6.741 2.514
72 HH11 ARG 9 HH11 ARG 9 18.439 8.203 0.160
73 HH12 ARG 9 HH12 ARG 9 19.039 7.260 -1.163
74 HH21 ARG 9 HH21 ARG 9 20.745 5.019 0.858
75 HH22 ARG 9 HH22 ARG 9 20.344 5.458 -0.768
76 HA PRO 10 HA PRO 10 20.115 7.883 9.588
77 HB2 PRO 10 HB2 PRO 10 20.899 10.505 10.005
78 HB3 PRO 10 HB1 PRO 10 22.014 9.180 9.610
79 HG2 PRO 10 HG2 PRO 10 20.738 11.175 7.773
80 HG3 PRO 10 HG1 PRO 10 22.434 10.656 7.858
81 HD2 PRO 10 HD2 PRO 10 20.853 9.631 5.999
82 HD3 PRO 10 HD1 PRO 10 21.969 8.560 6.883
83 H ARG 11 HN ARG 11 18.114 9.811 7.575
84 HA ARG 11 HA ARG 11 16.498 10.937 9.755
85 HB2 ARG 11 HB2 ARG 11 16.667 11.096 6.793
86 HB3 ARG 11 HB1 ARG 11 15.121 11.482 7.545
87 HG2 ARG 11 HG2 ARG 11 16.420 13.528 7.325
88 HG3 ARG 11 HG1 ARG 11 16.285 13.109 9.032
89 HD2 ARG 11 HD2 ARG 11 18.602 13.742 8.545
90 HD3 ARG 11 HD1 ARG 11 18.548 11.999 8.869
91 HE ARG 11 HE ARG 11 18.489 11.667 6.376
92 HH11 ARG 11 HH11 ARG 11 20.664 13.703 7.781
93 HH12 ARG 11 HH12 ARG 11 21.042 14.617 6.359
94 HH21 ARG 11 HH21 ARG 11 18.454 13.269 4.485
95 HH22 ARG 11 HH22 ARG 11 19.792 14.371 4.493
96 H PHE 12 HN PHE 12 16.567 8.248 7.633
97 HA PHE 12 HA PHE 12 14.501 6.742 9.030
98 HB2 PHE 12 HB2 PHE 12 12.976 6.761 7.015
99 HB3 PHE 12 HB1 PHE 12 13.125 8.367 7.754
100 HD1 PHE 12 HD1 PHE 12 14.244 6.209 4.962
101 HD2 PHE 12 HD2 PHE 12 14.408 10.087 6.758
102 HE1 PHE 12 HE1 PHE 12 15.291 7.116 2.912
103 HE2 PHE 12 HE2 PHE 12 15.447 11.017 4.721
104 HZ PHE 12 HZ PHE 12 15.889 9.529 2.771
105 H CYS 13 HN CYS 13 14.445 4.506 7.924
106 HA CYS 13 HA CYS 13 16.016 4.218 5.526
107 HB2 CYS 13 HB2 CYS 13 17.903 4.622 6.797
108 HB3 CYS 13 HB1 CYS 13 17.200 3.948 8.258
109 H VAL 14 HN VAL 14 15.416 2.293 4.589
110 HA VAL 14 HA VAL 14 14.723 -0.075 6.185
111 HB VAL 14 HB VAL 14 12.790 1.878 5.363
112 HG11 VAL 14 HG11 VAL 14 11.158 0.349 4.264
113 HG12 VAL 14 HG12 VAL 14 12.431 -0.864 4.135
114 HG13 VAL 14 HG13 VAL 14 12.576 0.662 3.264
115 HG21 VAL 14 HG21 VAL 14 11.289 0.456 6.707
116 HG22 VAL 14 HG22 VAL 14 12.839 0.687 7.518
117 HG23 VAL 14 HG23 VAL 14 12.497 -0.829 6.685
118 H CYS 15 HN CYS 15 14.442 -1.947 4.853
119 HA CYS 15 HA CYS 15 15.169 -1.632 1.966
120 HB2 CYS 15 HB2 CYS 15 16.755 -2.672 4.148
121 HB3 CYS 15 HB1 CYS 15 16.444 -3.954 2.980
122 H VAL 16 HN VAL 16 13.777 -2.788 0.726
123 HA VAL 16 HA VAL 16 12.846 -5.442 1.423
124 HB VAL 16 HB VAL 16 10.379 -4.242 1.106
125 HG11 VAL 16 HG11 VAL 16 11.951 -5.443 3.280
126 HG12 VAL 16 HG12 VAL 16 10.292 -5.762 2.775
127 HG13 VAL 16 HG13 VAL 16 10.643 -4.400 3.837
128 HG21 VAL 16 HG21 VAL 16 11.683 -2.021 1.454
129 HG22 VAL 16 HG22 VAL 16 11.818 -2.531 3.136
130 HG23 VAL 16 HG23 VAL 16 10.230 -2.281 2.417
131 H GLY 17 HN GLY 17 12.272 -6.509 -0.340
132 HA2 GLY 17 HA2 GLY 17 11.232 -5.231 -2.707
133 HA3 GLY 17 HA1 GLY 17 12.928 -5.693 -2.894
134 H ARG 18 HN ARG 18 9.721 -6.797 -2.956
135 HA ARG 18 HA ARG 18 10.632 -9.396 -3.770
136 HB2 ARG 18 HB2 ARG 18 10.035 -10.637 -1.841
137 HB3 ARG 18 HB1 ARG 18 10.856 -9.208 -1.211
138 HG2 ARG 18 HG2 ARG 18 7.847 -9.509 -1.460
139 HG3 ARG 18 HG1 ARG 18 8.764 -9.746 0.027
140 HD2 ARG 18 HD2 ARG 18 8.288 -7.519 0.333
141 HD3 ARG 18 HD1 ARG 18 9.683 -7.291 -0.740
142 HE ARG 18 HE ARG 18 7.232 -7.773 -2.222
143 HH11 ARG 18 HH11 ARG 18 7.850 -6.068 -3.916
144 HH12 ARG 18 HH12 ARG 18 7.766 -4.445 -3.316
145 HH21 ARG 18 HH21 ARG 18 7.668 -5.399 0.016
146 HH22 ARG 18 HH22 ARG 18 7.663 -4.067 -1.091
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 11.058 -11.024 -10.395
2 H2 ARG 1 HT2 ARG 1 12.661 -10.525 -10.658
3 H3 ARG 1 HT3 ARG 1 11.391 -9.803 -11.524
4 HA ARG 1 HA ARG 1 11.486 -9.655 -8.572
5 HB2 ARG 1 HB2 ARG 1 12.827 -7.645 -8.793
6 HB3 ARG 1 HB1 ARG 1 13.657 -8.948 -9.640
7 HG2 ARG 1 HG2 ARG 1 12.255 -8.064 -11.708
8 HG3 ARG 1 HG1 ARG 1 12.213 -6.574 -10.764
9 HD2 ARG 1 HD2 ARG 1 14.171 -6.539 -12.240
10 HD3 ARG 1 HD1 ARG 1 14.722 -6.708 -10.560
11 HE ARG 1 HE ARG 1 14.333 -9.325 -11.415
12 HH11 ARG 1 HH11 ARG 1 16.817 -7.177 -11.206
13 HH12 ARG 1 HH12 ARG 1 17.783 -7.851 -12.476
14 HH21 ARG 1 HH21 ARG 1 15.280 -9.957 -13.624
15 HH22 ARG 1 HH22 ARG 1 16.912 -9.424 -13.844
16 H GLY 2 HN GLY 2 11.119 -6.690 -9.103
17 HA2 GLY 2 HA2 GLY 2 9.048 -5.909 -10.707
18 HA3 GLY 2 HA1 GLY 2 8.205 -6.778 -9.424
19 H GLY 3 HN GLY 3 10.227 -5.979 -7.398
20 HA2 GLY 3 HA2 GLY 3 10.076 -3.046 -7.278
21 HA3 GLY 3 HA1 GLY 3 9.084 -3.888 -6.087
22 H ARG 4 HN ARG 4 12.015 -2.483 -6.530
23 HA ARG 4 HA ARG 4 13.110 -4.138 -4.339
24 HB2 ARG 4 HB2 ARG 4 14.656 -2.864 -6.618
25 HB3 ARG 4 HB1 ARG 4 15.331 -3.874 -5.346
26 HG2 ARG 4 HG2 ARG 4 15.097 -5.391 -7.116
27 HG3 ARG 4 HG1 ARG 4 13.639 -5.669 -6.168
28 HD2 ARG 4 HD2 ARG 4 13.569 -5.279 -8.840
29 HD3 ARG 4 HD1 ARG 4 12.256 -4.741 -7.785
30 HE ARG 4 HE ARG 4 13.200 -2.480 -7.848
31 HH11 ARG 4 HH11 ARG 4 15.550 -1.701 -8.352
32 HH12 ARG 4 HH12 ARG 4 15.965 -1.909 -10.021
33 HH21 ARG 4 HH21 ARG 4 13.362 -4.107 -10.667
34 HH22 ARG 4 HH22 ARG 4 14.726 -3.271 -11.332
35 H LEU 5 HN LEU 5 12.772 -2.715 -2.688
36 HA LEU 5 HA LEU 5 13.642 0.108 -3.074
37 HB2 LEU 5 HB2 LEU 5 11.634 -1.140 -1.162
38 HB3 LEU 5 HB1 LEU 5 11.985 0.580 -1.291
39 HG LEU 5 HG LEU 5 10.023 0.265 -2.591
40 HD11 LEU 5 HD11 LEU 5 10.690 1.135 -4.618
41 HD12 LEU 5 HD12 LEU 5 11.981 -0.050 -4.821
42 HD13 LEU 5 HD13 LEU 5 12.200 1.314 -3.725
43 HD21 LEU 5 HD21 LEU 5 9.458 -1.666 -3.637
44 HD22 LEU 5 HD22 LEU 5 10.836 -2.366 -2.790
45 HD23 LEU 5 HD23 LEU 5 11.021 -1.787 -4.444
46 H CYS 6 HN CYS 6 15.612 0.273 -2.250
47 HA CYS 6 HA CYS 6 16.130 -0.665 0.526
48 HB2 CYS 6 HB2 CYS 6 17.131 -1.856 -1.936
49 HB3 CYS 6 HB1 CYS 6 18.462 -1.279 -0.936
50 H TYR 7 HN TYR 7 16.886 1.004 1.581
51 HA TYR 7 HA TYR 7 19.079 2.645 0.623
52 HB2 TYR 7 HB2 TYR 7 17.319 4.668 0.969
53 HB3 TYR 7 HB1 TYR 7 17.550 3.909 -0.600
54 HD1 TYR 7 HD1 TYR 7 15.715 3.527 2.560
55 HD2 TYR 7 HD2 TYR 7 15.878 3.016 -1.661
56 HE1 TYR 7 HE1 TYR 7 13.392 2.737 2.583
57 HE2 TYR 7 HE2 TYR 7 13.561 2.227 -1.704
58 HH TYR 7 HH TYR 7 11.893 1.296 1.120
59 H CYS 8 HN CYS 8 19.631 4.128 2.262
60 HA CYS 8 HA CYS 8 18.308 3.845 4.891
61 HB2 CYS 8 HB2 CYS 8 20.028 2.045 4.361
62 HB3 CYS 8 HB1 CYS 8 21.236 3.321 4.517
63 H ARG 9 HN ARG 9 18.080 5.802 5.582
64 HA ARG 9 HA ARG 9 20.204 7.872 5.262
65 HB2 ARG 9 HB2 ARG 9 17.235 7.849 4.817
66 HB3 ARG 9 HB1 ARG 9 18.028 9.359 5.260
67 HG2 ARG 9 HG2 ARG 9 18.123 9.395 2.920
68 HG3 ARG 9 HG1 ARG 9 19.705 8.761 3.370
69 HD2 ARG 9 HD2 ARG 9 17.972 6.518 3.208
70 HD3 ARG 9 HD1 ARG 9 17.677 7.500 1.759
71 HE ARG 9 HE ARG 9 20.444 6.731 2.618
72 HH11 ARG 9 HH11 ARG 9 20.722 4.976 0.846
73 HH12 ARG 9 HH12 ARG 9 20.532 5.608 -0.755
74 HH21 ARG 9 HH21 ARG 9 19.016 8.544 0.300
75 HH22 ARG 9 HH22 ARG 9 19.568 7.629 -1.065
76 HA PRO 10 HA PRO 10 20.015 7.909 9.683
77 HB2 PRO 10 HB2 PRO 10 20.745 10.547 10.106
78 HB3 PRO 10 HB1 PRO 10 21.893 9.235 9.759
79 HG2 PRO 10 HG2 PRO 10 20.647 11.195 7.863
80 HG3 PRO 10 HG1 PRO 10 22.348 10.705 8.011
81 HD2 PRO 10 HD2 PRO 10 20.852 9.637 6.107
82 HD3 PRO 10 HD1 PRO 10 21.950 8.592 7.041
83 H ARG 11 HN ARG 11 18.113 9.863 7.587
84 HA ARG 11 HA ARG 11 16.368 10.994 9.644
85 HB2 ARG 11 HB2 ARG 11 16.349 10.830 6.640
86 HB3 ARG 11 HB1 ARG 11 15.102 11.670 7.565
87 HG2 ARG 11 HG2 ARG 11 16.745 13.183 8.510
88 HG3 ARG 11 HG1 ARG 11 18.065 12.275 7.771
89 HD2 ARG 11 HD2 ARG 11 17.756 14.075 6.269
90 HD3 ARG 11 HD1 ARG 11 16.799 12.779 5.522
91 HE ARG 11 HE ARG 11 15.099 14.067 7.371
92 HH11 ARG 11 HH11 ARG 11 13.362 14.631 5.754
93 HH12 ARG 11 HH12 ARG 11 13.785 15.910 4.665
94 HH21 ARG 11 HH21 ARG 11 17.166 15.797 5.422
95 HH22 ARG 11 HH22 ARG 11 15.937 16.571 4.477
96 H PHE 12 HN PHE 12 16.539 8.239 7.590
97 HA PHE 12 HA PHE 12 14.483 6.718 8.992
98 HB2 PHE 12 HB2 PHE 12 12.991 6.671 6.951
99 HB3 PHE 12 HB1 PHE 12 13.098 8.292 7.662
100 HD1 PHE 12 HD1 PHE 12 14.362 10.024 6.649
101 HD2 PHE 12 HD2 PHE 12 14.309 6.102 4.934
102 HE1 PHE 12 HE1 PHE 12 15.430 10.926 4.613
103 HE2 PHE 12 HE2 PHE 12 15.361 6.989 2.878
104 HZ PHE 12 HZ PHE 12 15.926 9.406 2.701
105 H CYS 13 HN CYS 13 14.491 4.458 7.917
106 HA CYS 13 HA CYS 13 16.102 4.159 5.553
107 HB2 CYS 13 HB2 CYS 13 17.981 4.627 6.811
108 HB3 CYS 13 HB1 CYS 13 17.278 4.003 8.294
109 H VAL 14 HN VAL 14 15.499 2.224 4.652
110 HA VAL 14 HA VAL 14 14.937 -0.156 6.256
111 HB VAL 14 HB VAL 14 12.879 1.743 5.305
112 HG11 VAL 14 HG11 VAL 14 12.400 -0.053 3.747
113 HG12 VAL 14 HG12 VAL 14 11.200 -0.113 5.038
114 HG13 VAL 14 HG13 VAL 14 12.542 -1.256 5.028
115 HG21 VAL 14 HG21 VAL 14 11.712 0.226 7.193
116 HG22 VAL 14 HG22 VAL 14 12.805 1.553 7.588
117 HG23 VAL 14 HG23 VAL 14 13.401 -0.107 7.573
118 H CYS 15 HN CYS 15 14.556 -2.013 4.907
119 HA CYS 15 HA CYS 15 15.138 -1.622 1.993
120 HB2 CYS 15 HB2 CYS 15 16.672 -2.910 4.096
121 HB3 CYS 15 HB1 CYS 15 16.265 -4.066 2.828
122 H VAL 16 HN VAL 16 13.541 -2.530 0.811
123 HA VAL 16 HA VAL 16 12.368 -5.134 1.540
124 HB VAL 16 HB VAL 16 10.782 -2.550 1.324
125 HG11 VAL 16 HG11 VAL 16 9.987 -5.447 1.350
126 HG12 VAL 16 HG12 VAL 16 9.345 -4.125 0.376
127 HG13 VAL 16 HG13 VAL 16 8.920 -4.250 2.083
128 HG21 VAL 16 HG21 VAL 16 11.442 -4.414 3.612
129 HG22 VAL 16 HG22 VAL 16 10.072 -3.307 3.679
130 HG23 VAL 16 HG23 VAL 16 11.709 -2.674 3.515
131 H GLY 17 HN GLY 17 12.292 -6.255 -0.293
132 HA2 GLY 17 HA2 GLY 17 11.198 -5.131 -2.712
133 HA3 GLY 17 HA1 GLY 17 12.948 -5.353 -2.816
134 H ARG 18 HN ARG 18 9.936 -6.891 -3.039
135 HA ARG 18 HA ARG 18 11.242 -9.326 -3.790
136 HB2 ARG 18 HB2 ARG 18 10.719 -10.659 -1.892
137 HB3 ARG 18 HB1 ARG 18 11.328 -9.138 -1.234
138 HG2 ARG 18 HG2 ARG 18 8.410 -9.184 -1.706
139 HG3 ARG 18 HG1 ARG 18 8.975 -10.313 -0.476
140 HD2 ARG 18 HD2 ARG 18 8.585 -8.284 0.710
141 HD3 ARG 18 HD1 ARG 18 10.340 -8.299 0.441
142 HE ARG 18 HE ARG 18 10.053 -6.469 -1.008
143 HH11 ARG 18 HH11 ARG 18 7.034 -8.074 -0.445
144 HH12 ARG 18 HH12 ARG 18 6.150 -7.049 -1.522
145 HH21 ARG 18 HH21 ARG 18 8.917 -5.216 -2.505
146 HH22 ARG 18 HH22 ARG 18 7.208 -5.440 -2.683
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 13.084 -8.630 -10.698
2 H2 ARG 1 HT2 ARG 1 12.072 -9.891 -11.219
3 H3 ARG 1 HT3 ARG 1 13.294 -10.195 -10.078
4 HA ARG 1 HA ARG 1 11.184 -10.095 -8.936
5 HB2 ARG 1 HB2 ARG 1 13.542 -8.716 -8.427
6 HB3 ARG 1 HB1 ARG 1 12.300 -7.490 -8.169
7 HG2 ARG 1 HG2 ARG 1 11.152 -8.895 -6.570
8 HG3 ARG 1 HG1 ARG 1 12.214 -10.256 -6.933
9 HD2 ARG 1 HD2 ARG 1 13.520 -7.712 -6.062
10 HD3 ARG 1 HD1 ARG 1 12.680 -8.670 -4.827
11 HE ARG 1 HE ARG 1 14.138 -10.540 -6.293
12 HH11 ARG 1 HH11 ARG 1 16.514 -9.699 -6.807
13 HH12 ARG 1 HH12 ARG 1 17.357 -9.285 -5.352
14 HH21 ARG 1 HH21 ARG 1 14.483 -9.124 -3.418
15 HH22 ARG 1 HH22 ARG 1 16.208 -8.958 -3.434
16 H GLY 2 HN GLY 2 9.987 -7.805 -7.937
17 HA2 GLY 2 HA2 GLY 2 8.842 -6.481 -10.364
18 HA3 GLY 2 HA1 GLY 2 7.808 -7.060 -9.058
19 H GLY 3 HN GLY 3 10.544 -5.982 -7.557
20 HA2 GLY 3 HA2 GLY 3 10.359 -3.144 -7.646
21 HA3 GLY 3 HA1 GLY 3 9.307 -3.723 -6.354
22 H ARG 4 HN ARG 4 12.180 -2.415 -6.714
23 HA ARG 4 HA ARG 4 13.276 -4.067 -4.520
24 HB2 ARG 4 HB2 ARG 4 14.827 -2.697 -6.741
25 HB3 ARG 4 HB1 ARG 4 15.508 -3.709 -5.474
26 HG2 ARG 4 HG2 ARG 4 15.363 -5.196 -7.280
27 HG3 ARG 4 HG1 ARG 4 13.899 -5.545 -6.367
28 HD2 ARG 4 HD2 ARG 4 13.857 -5.113 -9.027
29 HD3 ARG 4 HD1 ARG 4 12.513 -4.624 -7.989
30 HE ARG 4 HE ARG 4 13.400 -2.338 -8.005
31 HH11 ARG 4 HH11 ARG 4 16.038 -4.023 -9.010
32 HH12 ARG 4 HH12 ARG 4 16.345 -3.100 -10.443
33 HH21 ARG 4 HH21 ARG 4 13.331 -1.391 -10.307
34 HH22 ARG 4 HH22 ARG 4 14.812 -1.611 -11.177
35 H LEU 5 HN LEU 5 12.843 -2.689 -2.858
36 HA LEU 5 HA LEU 5 13.640 0.166 -3.159
37 HB2 LEU 5 HB2 LEU 5 11.611 -1.179 -1.336
38 HB3 LEU 5 HB1 LEU 5 11.913 0.554 -1.422
39 HG LEU 5 HG LEU 5 10.002 0.205 -2.785
40 HD11 LEU 5 HD11 LEU 5 12.199 1.319 -3.841
41 HD12 LEU 5 HD12 LEU 5 10.702 1.153 -4.758
42 HD13 LEU 5 HD13 LEU 5 12.005 -0.015 -4.978
43 HD21 LEU 5 HD21 LEU 5 11.107 -1.781 -4.646
44 HD22 LEU 5 HD22 LEU 5 9.523 -1.724 -3.875
45 HD23 LEU 5 HD23 LEU 5 10.902 -2.397 -3.006
46 H CYS 6 HN CYS 6 15.581 0.359 -2.268
47 HA CYS 6 HA CYS 6 16.023 -0.572 0.516
48 HB2 CYS 6 HB2 CYS 6 16.726 -2.280 -1.363
49 HB3 CYS 6 HB1 CYS 6 18.097 -1.191 -1.575
50 H TYR 7 HN TYR 7 16.816 1.069 1.579
51 HA TYR 7 HA TYR 7 19.035 2.681 0.632
52 HB2 TYR 7 HB2 TYR 7 17.296 4.724 0.985
53 HB3 TYR 7 HB1 TYR 7 17.528 3.973 -0.587
54 HD1 TYR 7 HD1 TYR 7 15.852 3.110 -1.663
55 HD2 TYR 7 HD2 TYR 7 15.674 3.585 2.562
56 HE1 TYR 7 HE1 TYR 7 13.525 2.344 -1.724
57 HE2 TYR 7 HE2 TYR 7 13.337 2.828 2.565
58 HH TYR 7 HH TYR 7 11.390 2.761 0.853
59 H CYS 8 HN CYS 8 19.602 4.151 2.275
60 HA CYS 8 HA CYS 8 18.284 3.855 4.909
61 HB2 CYS 8 HB2 CYS 8 20.009 2.068 4.346
62 HB3 CYS 8 HB1 CYS 8 21.211 3.347 4.510
63 H ARG 9 HN ARG 9 18.059 5.808 5.622
64 HA ARG 9 HA ARG 9 20.164 7.894 5.268
65 HB2 ARG 9 HB2 ARG 9 17.180 7.853 4.935
66 HB3 ARG 9 HB1 ARG 9 17.982 9.365 5.358
67 HG2 ARG 9 HG2 ARG 9 17.966 9.409 3.011
68 HG3 ARG 9 HG1 ARG 9 19.579 8.812 3.395
69 HD2 ARG 9 HD2 ARG 9 17.893 6.529 3.289
70 HD3 ARG 9 HD1 ARG 9 17.524 7.509 1.857
71 HE ARG 9 HE ARG 9 20.319 6.730 2.613
72 HH11 ARG 9 HH11 ARG 9 19.071 8.813 0.489
73 HH12 ARG 9 HH12 ARG 9 19.509 7.973 -0.962
74 HH21 ARG 9 HH21 ARG 9 20.357 5.038 0.679
75 HH22 ARG 9 HH22 ARG 9 20.236 5.836 -0.853
76 HA PRO 10 HA PRO 10 20.121 7.870 9.695
77 HB2 PRO 10 HB2 PRO 10 20.872 10.501 10.129
78 HB3 PRO 10 HB1 PRO 10 22.005 9.191 9.727
79 HG2 PRO 10 HG2 PRO 10 20.707 11.181 7.900
80 HG3 PRO 10 HG1 PRO 10 22.409 10.681 7.984
81 HD2 PRO 10 HD2 PRO 10 20.839 9.649 6.117
82 HD3 PRO 10 HD1 PRO 10 21.969 8.587 6.992
83 H ARG 11 HN ARG 11 18.148 9.836 7.684
84 HA ARG 11 HA ARG 11 16.474 10.929 9.822
85 HB2 ARG 11 HB2 ARG 11 16.242 10.848 6.821
86 HB3 ARG 11 HB1 ARG 11 15.209 11.806 7.880
87 HG2 ARG 11 HG2 ARG 11 18.227 12.070 7.718
88 HG3 ARG 11 HG1 ARG 11 17.087 13.128 6.886
89 HD2 ARG 11 HD2 ARG 11 17.024 12.710 9.890
90 HD3 ARG 11 HD1 ARG 11 17.929 14.023 9.116
91 HE ARG 11 HE ARG 11 15.090 13.724 8.327
92 HH11 ARG 11 HH11 ARG 11 14.997 16.122 7.654
93 HH12 ARG 11 HH12 ARG 11 15.170 17.207 8.992
94 HH21 ARG 11 HH21 ARG 11 16.411 14.784 11.140
95 HH22 ARG 11 HH22 ARG 11 15.971 16.451 10.966
96 H PHE 12 HN PHE 12 16.594 8.218 7.723
97 HA PHE 12 HA PHE 12 14.545 6.697 9.125
98 HB2 PHE 12 HB2 PHE 12 13.015 6.687 7.115
99 HB3 PHE 12 HB1 PHE 12 13.146 8.298 7.844
100 HD1 PHE 12 HD1 PHE 12 14.390 10.036 6.824
101 HD2 PHE 12 HD2 PHE 12 14.299 6.133 5.071
102 HE1 PHE 12 HE1 PHE 12 15.415 10.959 4.777
103 HE2 PHE 12 HE2 PHE 12 15.309 7.040 3.003
104 HZ PHE 12 HZ PHE 12 15.871 9.459 2.838
105 H CYS 13 HN CYS 13 14.512 4.451 8.012
106 HA CYS 13 HA CYS 13 16.098 4.183 5.627
107 HB2 CYS 13 HB2 CYS 13 17.983 4.620 6.892
108 HB3 CYS 13 HB1 CYS 13 17.288 3.947 8.359
109 H VAL 14 HN VAL 14 15.465 2.281 4.690
110 HA VAL 14 HA VAL 14 14.892 -0.136 6.235
111 HB VAL 14 HB VAL 14 12.847 1.813 5.344
112 HG11 VAL 14 HG11 VAL 14 12.504 -1.174 4.987
113 HG12 VAL 14 HG12 VAL 14 12.291 0.082 3.767
114 HG13 VAL 14 HG13 VAL 14 11.147 -0.053 5.102
115 HG21 VAL 14 HG21 VAL 14 13.365 -0.084 7.576
116 HG22 VAL 14 HG22 VAL 14 11.678 0.287 7.222
117 HG23 VAL 14 HG23 VAL 14 12.800 1.586 7.628
118 H CYS 15 HN CYS 15 14.479 -1.950 4.827
119 HA CYS 15 HA CYS 15 14.977 -1.458 1.916
120 HB2 CYS 15 HB2 CYS 15 17.028 -2.130 3.198
121 HB3 CYS 15 HB1 CYS 15 16.211 -3.636 3.620
122 H VAL 16 HN VAL 16 13.582 -2.538 0.651
123 HA VAL 16 HA VAL 16 12.375 -5.104 1.407
124 HB VAL 16 HB VAL 16 10.805 -2.519 1.124
125 HG11 VAL 16 HG11 VAL 16 8.934 -4.344 1.781
126 HG12 VAL 16 HG12 VAL 16 10.018 -5.377 0.847
127 HG13 VAL 16 HG13 VAL 16 9.315 -3.940 0.106
128 HG21 VAL 16 HG21 VAL 16 11.319 -4.450 3.388
129 HG22 VAL 16 HG22 VAL 16 9.924 -3.372 3.399
130 HG23 VAL 16 HG23 VAL 16 11.555 -2.702 3.365
131 H GLY 17 HN GLY 17 12.230 -6.270 -0.398
132 HA2 GLY 17 HA2 GLY 17 11.355 -5.125 -2.900
133 HA3 GLY 17 HA1 GLY 17 13.082 -5.498 -2.901
134 H ARG 18 HN ARG 18 9.968 -6.774 -3.266
135 HA ARG 18 HA ARG 18 11.089 -9.346 -3.874
136 HB2 ARG 18 HB2 ARG 18 10.330 -10.554 -1.976
137 HB3 ARG 18 HB1 ARG 18 11.028 -9.071 -1.320
138 HG2 ARG 18 HG2 ARG 18 8.073 -9.472 -1.880
139 HG3 ARG 18 HG1 ARG 18 8.825 -9.671 -0.298
140 HD2 ARG 18 HD2 ARG 18 8.260 -7.453 -0.083
141 HD3 ARG 18 HD1 ARG 18 9.774 -7.211 -0.980
142 HE ARG 18 HE ARG 18 7.586 -7.759 -2.784
143 HH11 ARG 18 HH11 ARG 18 6.036 -5.962 -3.048
144 HH12 ARG 18 HH12 ARG 18 6.715 -4.369 -2.983
145 HH21 ARG 18 HH21 ARG 18 9.767 -5.426 -1.728
146 HH22 ARG 18 HH22 ARG 18 8.822 -4.067 -2.236
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 12.465 -9.595 -11.205
2 H2 ARG 1 HT2 ARG 1 13.715 -9.851 -10.083
3 H3 ARG 1 HT3 ARG 1 13.610 -8.376 -10.919
4 HA ARG 1 HA ARG 1 11.591 -9.370 -8.969
5 HB2 ARG 1 HB2 ARG 1 14.147 -8.527 -8.490
6 HB3 ARG 1 HB1 ARG 1 13.281 -6.992 -8.459
7 HG2 ARG 1 HG2 ARG 1 13.224 -7.822 -6.217
8 HG3 ARG 1 HG1 ARG 1 11.616 -8.110 -6.883
9 HD2 ARG 1 HD2 ARG 1 12.379 -10.131 -5.717
10 HD3 ARG 1 HD1 ARG 1 12.345 -10.454 -7.462
11 HE ARG 1 HE ARG 1 14.778 -10.142 -7.511
12 HH11 ARG 1 HH11 ARG 1 15.831 -11.974 -6.150
13 HH12 ARG 1 HH12 ARG 1 16.179 -11.478 -4.528
14 HH21 ARG 1 HH21 ARG 1 14.123 -8.688 -4.661
15 HH22 ARG 1 HH22 ARG 1 15.211 -9.617 -3.684
16 H GLY 2 HN GLY 2 9.966 -7.733 -8.523
17 HA2 GLY 2 HA2 GLY 2 9.662 -5.759 -10.748
18 HA3 GLY 2 HA1 GLY 2 8.309 -6.499 -9.893
19 H GLY 3 HN GLY 3 10.242 -6.043 -7.402
20 HA2 GLY 3 HA2 GLY 3 9.899 -3.122 -7.079
21 HA3 GLY 3 HA1 GLY 3 9.013 -4.154 -5.957
22 H ARG 4 HN ARG 4 11.854 -2.494 -6.404
23 HA ARG 4 HA ARG 4 13.080 -4.141 -4.277
24 HB2 ARG 4 HB2 ARG 4 14.524 -2.712 -6.529
25 HB3 ARG 4 HB1 ARG 4 15.260 -3.742 -5.311
26 HG2 ARG 4 HG2 ARG 4 15.072 -5.195 -7.138
27 HG3 ARG 4 HG1 ARG 4 13.637 -5.576 -6.193
28 HD2 ARG 4 HD2 ARG 4 13.513 -5.082 -8.839
29 HD3 ARG 4 HD1 ARG 4 12.198 -4.624 -7.750
30 HE ARG 4 HE ARG 4 13.034 -2.335 -7.774
31 HH11 ARG 4 HH11 ARG 4 12.816 -2.384 -10.592
32 HH12 ARG 4 HH12 ARG 4 14.422 -2.121 -11.183
33 HH21 ARG 4 HH21 ARG 4 15.947 -2.935 -8.178
34 HH22 ARG 4 HH22 ARG 4 16.194 -2.433 -9.817
35 H LEU 5 HN LEU 5 12.675 -2.773 -2.585
36 HA LEU 5 HA LEU 5 13.421 0.095 -2.909
37 HB2 LEU 5 HB2 LEU 5 11.465 -1.275 -1.025
38 HB3 LEU 5 HB1 LEU 5 11.746 0.461 -1.118
39 HG LEU 5 HG LEU 5 9.794 0.088 -2.417
40 HD11 LEU 5 HD11 LEU 5 11.735 -0.080 -4.669
41 HD12 LEU 5 HD12 LEU 5 11.937 1.248 -3.525
42 HD13 LEU 5 HD13 LEU 5 10.419 1.063 -4.402
43 HD21 LEU 5 HD21 LEU 5 10.734 -2.497 -2.694
44 HD22 LEU 5 HD22 LEU 5 10.866 -1.862 -4.332
45 HD23 LEU 5 HD23 LEU 5 9.311 -1.843 -3.502
46 H CYS 6 HN CYS 6 15.402 0.290 -2.082
47 HA CYS 6 HA CYS 6 15.897 -0.525 0.708
48 HB2 CYS 6 HB2 CYS 6 16.434 -2.524 -0.653
49 HB3 CYS 6 HB1 CYS 6 17.549 -1.560 -1.619
50 H TYR 7 HN TYR 7 16.819 1.097 1.637
51 HA TYR 7 HA TYR 7 19.112 2.521 0.582
52 HB2 TYR 7 HB2 TYR 7 17.524 4.685 0.819
53 HB3 TYR 7 HB1 TYR 7 17.641 3.812 -0.702
54 HD1 TYR 7 HD1 TYR 7 15.878 3.802 2.523
55 HD2 TYR 7 HD2 TYR 7 15.877 2.980 -1.652
56 HE1 TYR 7 HE1 TYR 7 13.499 3.211 2.655
57 HE2 TYR 7 HE2 TYR 7 13.503 2.384 -1.586
58 HH TYR 7 HH TYR 7 11.889 1.589 1.091
59 H CYS 8 HN CYS 8 19.761 4.057 2.168
60 HA CYS 8 HA CYS 8 18.446 3.841 4.821
61 HB2 CYS 8 HB2 CYS 8 20.255 2.121 4.245
62 HB3 CYS 8 HB1 CYS 8 21.387 3.458 4.429
63 H ARG 9 HN ARG 9 18.157 5.792 5.499
64 HA ARG 9 HA ARG 9 20.174 7.951 5.089
65 HB2 ARG 9 HB2 ARG 9 17.188 7.808 4.752
66 HB3 ARG 9 HB1 ARG 9 17.959 9.354 5.104
67 HG2 ARG 9 HG2 ARG 9 17.939 9.298 2.758
68 HG3 ARG 9 HG1 ARG 9 19.562 8.742 3.160
69 HD2 ARG 9 HD2 ARG 9 17.898 6.435 3.160
70 HD3 ARG 9 HD1 ARG 9 17.529 7.346 1.683
71 HE ARG 9 HE ARG 9 20.368 6.818 2.464
72 HH11 ARG 9 HH11 ARG 9 18.371 7.868 0.005
73 HH12 ARG 9 HH12 ARG 9 19.046 6.857 -1.228
74 HH21 ARG 9 HH21 ARG 9 20.988 5.012 0.972
75 HH22 ARG 9 HH22 ARG 9 20.527 5.243 -0.681
76 HA PRO 10 HA PRO 10 20.095 8.028 9.515
77 HB2 PRO 10 HB2 PRO 10 20.721 10.701 9.895
78 HB3 PRO 10 HB1 PRO 10 21.916 9.435 9.534
79 HG2 PRO 10 HG2 PRO 10 20.542 11.317 7.647
80 HG3 PRO 10 HG1 PRO 10 22.265 10.904 7.760
81 HD2 PRO 10 HD2 PRO 10 20.775 9.749 5.903
82 HD3 PRO 10 HD1 PRO 10 21.936 8.762 6.825
83 H ARG 11 HN ARG 11 18.055 9.861 7.446
84 HA ARG 11 HA ARG 11 16.315 10.932 9.537
85 HB2 ARG 11 HB2 ARG 11 16.157 10.744 6.536
86 HB3 ARG 11 HB1 ARG 11 14.999 11.627 7.531
87 HG2 ARG 11 HG2 ARG 11 17.984 12.165 7.472
88 HG3 ARG 11 HG1 ARG 11 16.783 13.096 6.575
89 HD2 ARG 11 HD2 ARG 11 16.135 12.789 9.437
90 HD3 ARG 11 HD1 ARG 11 17.616 13.715 9.120
91 HE ARG 11 HE ARG 11 14.902 14.418 8.140
92 HH11 ARG 11 HH11 ARG 11 15.108 16.780 8.792
93 HH12 ARG 11 HH12 ARG 11 16.393 17.619 7.990
94 HH21 ARG 11 HH21 ARG 11 17.944 14.724 6.877
95 HH22 ARG 11 HH22 ARG 11 17.999 16.454 6.906
96 H PHE 12 HN PHE 12 16.561 8.172 7.503
97 HA PHE 12 HA PHE 12 14.592 6.589 8.955
98 HB2 PHE 12 HB2 PHE 12 13.055 6.467 6.955
99 HB3 PHE 12 HB1 PHE 12 13.120 8.098 7.646
100 HD1 PHE 12 HD1 PHE 12 14.278 9.864 6.579
101 HD2 PHE 12 HD2 PHE 12 14.360 5.920 4.919
102 HE1 PHE 12 HE1 PHE 12 15.259 10.783 4.508
103 HE2 PHE 12 HE2 PHE 12 15.326 6.822 2.828
104 HZ PHE 12 HZ PHE 12 15.780 9.259 2.605
105 H CYS 13 HN CYS 13 14.631 4.328 7.892
106 HA CYS 13 HA CYS 13 16.217 4.055 5.501
107 HB2 CYS 13 HB2 CYS 13 18.084 4.586 6.762
108 HB3 CYS 13 HB1 CYS 13 17.421 3.897 8.235
109 H VAL 14 HN VAL 14 15.515 2.157 4.599
110 HA VAL 14 HA VAL 14 15.102 -0.279 6.173
111 HB VAL 14 HB VAL 14 12.943 1.594 5.362
112 HG11 VAL 14 HG11 VAL 14 12.700 -1.416 5.154
113 HG12 VAL 14 HG12 VAL 14 12.343 -0.222 3.906
114 HG13 VAL 14 HG13 VAL 14 11.306 -0.348 5.328
115 HG21 VAL 14 HG21 VAL 14 13.045 1.475 7.651
116 HG22 VAL 14 HG22 VAL 14 13.681 -0.171 7.638
117 HG23 VAL 14 HG23 VAL 14 11.960 0.112 7.379
118 H CYS 15 HN CYS 15 14.679 -2.108 4.782
119 HA CYS 15 HA CYS 15 14.915 -1.592 1.845
120 HB2 CYS 15 HB2 CYS 15 16.628 -3.280 3.667
121 HB3 CYS 15 HB1 CYS 15 16.536 -3.621 1.939
122 H VAL 16 HN VAL 16 13.208 -2.577 0.895
123 HA VAL 16 HA VAL 16 12.483 -5.351 1.579
124 HB VAL 16 HB VAL 16 10.596 -2.981 1.822
125 HG11 VAL 16 HG11 VAL 16 10.088 -5.958 2.120
126 HG12 VAL 16 HG12 VAL 16 9.463 -4.922 0.838
127 HG13 VAL 16 HG13 VAL 16 8.923 -4.690 2.500
128 HG21 VAL 16 HG21 VAL 16 11.844 -4.877 3.821
129 HG22 VAL 16 HG22 VAL 16 10.382 -3.961 4.192
130 HG23 VAL 16 HG23 VAL 16 11.883 -3.113 3.820
131 H GLY 17 HN GLY 17 12.237 -6.357 -0.306
132 HA2 GLY 17 HA2 GLY 17 10.671 -5.206 -2.441
133 HA3 GLY 17 HA1 GLY 17 12.398 -5.245 -2.813
134 H ARG 18 HN ARG 18 9.544 -7.045 -2.798
135 HA ARG 18 HA ARG 18 11.045 -9.342 -3.727
136 HB2 ARG 18 HB2 ARG 18 10.409 -10.802 -1.888
137 HB3 ARG 18 HB1 ARG 18 11.219 -9.358 -1.257
138 HG2 ARG 18 HG2 ARG 18 8.223 -9.353 -1.526
139 HG3 ARG 18 HG1 ARG 18 8.962 -10.188 -0.162
140 HD2 ARG 18 HD2 ARG 18 9.178 -7.250 -0.879
141 HD3 ARG 18 HD1 ARG 18 8.609 -7.973 0.638
142 HE ARG 18 HE ARG 18 11.445 -7.902 -0.263
143 HH11 ARG 18 HH11 ARG 18 9.338 -9.649 1.724
144 HH12 ARG 18 HH12 ARG 18 10.310 -9.510 3.152
145 HH21 ARG 18 HH21 ARG 18 12.579 -7.316 1.720
146 HH22 ARG 18 HH22 ARG 18 12.141 -8.191 3.149
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 13.336 -6.664 -10.269
2 H2 ARG 1 HT2 ARG 1 12.608 -7.376 -11.631
3 H3 ARG 1 HT3 ARG 1 13.748 -8.246 -10.721
4 HA ARG 1 HA ARG 1 11.611 -9.082 -10.119
5 HB2 ARG 1 HB2 ARG 1 13.546 -8.080 -8.456
6 HB3 ARG 1 HB1 ARG 1 12.111 -7.258 -7.844
7 HG2 ARG 1 HG2 ARG 1 12.282 -9.327 -6.638
8 HG3 ARG 1 HG1 ARG 1 10.967 -9.526 -7.796
9 HD2 ARG 1 HD2 ARG 1 12.393 -11.515 -7.871
10 HD3 ARG 1 HD1 ARG 1 12.620 -10.603 -9.377
11 HE ARG 1 HE ARG 1 14.791 -9.969 -8.629
12 HH11 ARG 1 HH11 ARG 1 14.947 -12.666 -7.383
13 HH12 ARG 1 HH12 ARG 1 15.376 -12.298 -5.746
14 HH21 ARG 1 HH21 ARG 1 14.468 -8.960 -5.978
15 HH22 ARG 1 HH22 ARG 1 15.106 -10.200 -4.950
16 H GLY 2 HN GLY 2 9.740 -8.162 -8.427
17 HA2 GLY 2 HA2 GLY 2 8.175 -6.338 -10.074
18 HA3 GLY 2 HA1 GLY 2 7.658 -7.055 -8.549
19 H GLY 3 HN GLY 3 10.299 -6.010 -7.348
20 HA2 GLY 3 HA2 GLY 3 10.350 -3.172 -7.453
21 HA3 GLY 3 HA1 GLY 3 9.250 -3.645 -6.160
22 H ARG 4 HN ARG 4 12.198 -2.564 -6.512
23 HA ARG 4 HA ARG 4 13.166 -4.248 -4.284
24 HB2 ARG 4 HB2 ARG 4 14.812 -3.050 -6.536
25 HB3 ARG 4 HB1 ARG 4 15.429 -4.050 -5.228
26 HG2 ARG 4 HG2 ARG 4 15.200 -5.602 -6.964
27 HG3 ARG 4 HG1 ARG 4 13.705 -5.816 -6.060
28 HD2 ARG 4 HD2 ARG 4 13.734 -5.476 -8.740
29 HD3 ARG 4 HD1 ARG 4 12.402 -4.883 -7.740
30 HE ARG 4 HE ARG 4 13.383 -2.651 -7.837
31 HH11 ARG 4 HH11 ARG 4 15.945 -4.583 -8.659
32 HH12 ARG 4 HH12 ARG 4 16.424 -3.692 -10.066
33 HH21 ARG 4 HH21 ARG 4 13.584 -1.701 -10.094
34 HH22 ARG 4 HH22 ARG 4 15.086 -2.062 -10.879
35 H LEU 5 HN LEU 5 12.828 -2.802 -2.654
36 HA LEU 5 HA LEU 5 13.794 -0.008 -3.034
37 HB2 LEU 5 HB2 LEU 5 11.678 -1.178 -1.187
38 HB3 LEU 5 HB1 LEU 5 12.077 0.532 -1.329
39 HG LEU 5 HG LEU 5 10.157 0.246 -2.697
40 HD11 LEU 5 HD11 LEU 5 12.414 1.204 -3.770
41 HD12 LEU 5 HD12 LEU 5 10.922 1.076 -4.701
42 HD13 LEU 5 HD13 LEU 5 12.167 -0.162 -4.858
43 HD21 LEU 5 HD21 LEU 5 11.158 -1.863 -4.479
44 HD22 LEU 5 HD22 LEU 5 9.577 -1.691 -3.723
45 HD23 LEU 5 HD23 LEU 5 10.910 -2.409 -2.822
46 H CYS 6 HN CYS 6 15.742 0.099 -2.122
47 HA CYS 6 HA CYS 6 16.070 -0.738 0.704
48 HB2 CYS 6 HB2 CYS 6 16.695 -2.587 -1.039
49 HB3 CYS 6 HB1 CYS 6 18.119 -1.588 -1.335
50 H TYR 7 HN TYR 7 16.909 0.907 1.710
51 HA TYR 7 HA TYR 7 19.267 2.329 0.800
52 HB2 TYR 7 HB2 TYR 7 17.666 4.496 0.936
53 HB3 TYR 7 HB1 TYR 7 17.894 3.627 -0.575
54 HD1 TYR 7 HD1 TYR 7 15.910 3.587 2.519
55 HD2 TYR 7 HD2 TYR 7 16.197 2.814 -1.655
56 HE1 TYR 7 HE1 TYR 7 13.530 2.985 2.483
57 HE2 TYR 7 HE2 TYR 7 13.827 2.210 -1.757
58 HH TYR 7 HH TYR 7 11.996 1.519 0.976
59 H CYS 8 HN CYS 8 19.824 3.871 2.400
60 HA CYS 8 HA CYS 8 18.351 3.748 4.968
61 HB2 CYS 8 HB2 CYS 8 20.072 1.912 4.589
62 HB3 CYS 8 HB1 CYS 8 21.285 3.182 4.752
63 H ARG 9 HN ARG 9 18.115 5.737 5.561
64 HA ARG 9 HA ARG 9 20.279 7.767 5.263
65 HB2 ARG 9 HB2 ARG 9 17.336 7.765 4.660
66 HB3 ARG 9 HB1 ARG 9 18.136 9.282 5.071
67 HG2 ARG 9 HG2 ARG 9 18.348 9.200 2.740
68 HG3 ARG 9 HG1 ARG 9 19.893 8.564 3.300
69 HD2 ARG 9 HD2 ARG 9 18.131 6.344 3.157
70 HD3 ARG 9 HD1 ARG 9 17.928 7.258 1.650
71 HE ARG 9 HE ARG 9 20.637 6.503 2.685
72 HH11 ARG 9 HH11 ARG 9 21.029 4.661 1.046
73 HH12 ARG 9 HH12 ARG 9 20.898 5.182 -0.600
74 HH21 ARG 9 HH21 ARG 9 19.284 8.147 0.187
75 HH22 ARG 9 HH22 ARG 9 19.909 7.154 -1.086
76 HA PRO 10 HA PRO 10 19.849 7.997 9.661
77 HB2 PRO 10 HB2 PRO 10 20.588 10.644 10.014
78 HB3 PRO 10 HB1 PRO 10 21.737 9.306 9.788
79 HG2 PRO 10 HG2 PRO 10 20.627 11.196 7.744
80 HG3 PRO 10 HG1 PRO 10 22.310 10.693 8.007
81 HD2 PRO 10 HD2 PRO 10 20.904 9.563 6.068
82 HD3 PRO 10 HD1 PRO 10 21.936 8.545 7.104
83 H ARG 11 HN ARG 11 18.112 9.917 7.386
84 HA ARG 11 HA ARG 11 16.260 11.134 9.282
85 HB2 ARG 11 HB2 ARG 11 16.280 10.797 6.288
86 HB3 ARG 11 HB1 ARG 11 15.148 11.823 7.169
87 HG2 ARG 11 HG2 ARG 11 18.160 12.126 7.313
88 HG3 ARG 11 HG1 ARG 11 17.136 13.051 6.214
89 HD2 ARG 11 HD2 ARG 11 16.467 13.004 9.148
90 HD3 ARG 11 HD1 ARG 11 17.739 14.088 8.551
91 HE ARG 11 HE ARG 11 14.907 14.116 7.584
92 HH11 ARG 11 HH11 ARG 11 17.747 15.131 6.329
93 HH12 ARG 11 HH12 ARG 11 17.427 16.831 6.406
94 HH21 ARG 11 HH21 ARG 11 14.603 16.479 8.387
95 HH22 ARG 11 HH22 ARG 11 15.647 17.594 7.571
96 H PHE 12 HN PHE 12 16.516 8.280 7.381
97 HA PHE 12 HA PHE 12 14.386 6.844 8.751
98 HB2 PHE 12 HB2 PHE 12 12.981 6.706 6.656
99 HB3 PHE 12 HB1 PHE 12 13.073 8.361 7.288
100 HD1 PHE 12 HD1 PHE 12 14.397 6.023 4.737
101 HD2 PHE 12 HD2 PHE 12 14.371 10.033 6.233
102 HE1 PHE 12 HE1 PHE 12 15.551 6.795 2.690
103 HE2 PHE 12 HE2 PHE 12 15.514 10.827 4.193
104 HZ PHE 12 HZ PHE 12 16.108 9.203 2.397
105 H CYS 13 HN CYS 13 14.410 4.538 7.787
106 HA CYS 13 HA CYS 13 16.128 4.112 5.517
107 HB2 CYS 13 HB2 CYS 13 17.943 4.612 6.856
108 HB3 CYS 13 HB1 CYS 13 17.158 4.041 8.320
109 H VAL 14 HN VAL 14 15.462 2.187 4.652
110 HA VAL 14 HA VAL 14 14.826 -0.149 6.297
111 HB VAL 14 HB VAL 14 12.819 1.761 5.232
112 HG11 VAL 14 HG11 VAL 14 11.123 -0.156 5.151
113 HG12 VAL 14 HG12 VAL 14 12.510 -1.241 5.050
114 HG13 VAL 14 HG13 VAL 14 12.233 -0.045 3.785
115 HG21 VAL 14 HG21 VAL 14 13.286 0.047 7.616
116 HG22 VAL 14 HG22 VAL 14 11.607 0.383 7.197
117 HG23 VAL 14 HG23 VAL 14 12.718 1.714 7.522
118 H CYS 15 HN CYS 15 14.425 -2.027 4.970
119 HA CYS 15 HA CYS 15 15.057 -1.679 2.061
120 HB2 CYS 15 HB2 CYS 15 16.976 -2.437 3.522
121 HB3 CYS 15 HB1 CYS 15 16.045 -3.893 3.868
122 H VAL 16 HN VAL 16 13.633 -2.671 0.781
123 HA VAL 16 HA VAL 16 12.244 -5.151 1.512
124 HB VAL 16 HB VAL 16 10.880 -2.454 1.225
125 HG11 VAL 16 HG11 VAL 16 8.957 -4.440 1.788
126 HG12 VAL 16 HG12 VAL 16 9.928 -5.082 0.464
127 HG13 VAL 16 HG13 VAL 16 9.128 -3.520 0.293
128 HG21 VAL 16 HG21 VAL 16 9.807 -3.365 3.414
129 HG22 VAL 16 HG22 VAL 16 11.465 -2.766 3.486
130 HG23 VAL 16 HG23 VAL 16 11.155 -4.502 3.422
131 H GLY 17 HN GLY 17 12.220 -6.320 -0.306
132 HA2 GLY 17 HA2 GLY 17 11.373 -5.197 -2.816
133 HA3 GLY 17 HA1 GLY 17 13.113 -5.497 -2.788
134 H ARG 18 HN ARG 18 10.049 -6.906 -3.192
135 HA ARG 18 HA ARG 18 11.308 -9.415 -3.815
136 HB2 ARG 18 HB2 ARG 18 10.670 -10.667 -1.937
137 HB3 ARG 18 HB1 ARG 18 11.120 -9.110 -1.239
138 HG2 ARG 18 HG2 ARG 18 8.309 -10.049 -1.876
139 HG3 ARG 18 HG1 ARG 18 9.010 -9.845 -0.272
140 HD2 ARG 18 HD2 ARG 18 8.470 -7.645 -2.298
141 HD3 ARG 18 HD1 ARG 18 7.662 -7.881 -0.737
142 HE ARG 18 HE ARG 18 10.190 -6.592 -1.069
143 HH11 ARG 18 HH11 ARG 18 8.158 -7.028 1.334
144 HH12 ARG 18 HH12 ARG 18 9.278 -7.578 2.535
145 HH21 ARG 18 HH21 ARG 18 11.844 -8.140 0.273
146 HH22 ARG 18 HH22 ARG 18 11.362 -8.206 1.935
Start of MODEL 11
1 H1 ARG 1 HT1 ARG 1 13.858 -8.041 -10.298
2 H2 ARG 1 HT2 ARG 1 13.054 -6.551 -10.148
3 H3 ARG 1 HT3 ARG 1 12.798 -7.523 -11.517
4 HA ARG 1 HA ARG 1 11.607 -9.141 -10.285
5 HB2 ARG 1 HB2 ARG 1 13.197 -7.840 -8.174
6 HB3 ARG 1 HB1 ARG 1 11.563 -8.265 -7.669
7 HG2 ARG 1 HG2 ARG 1 13.483 -10.180 -9.025
8 HG3 ARG 1 HG1 ARG 1 13.215 -10.106 -7.283
9 HD2 ARG 1 HD2 ARG 1 10.811 -10.383 -9.056
10 HD3 ARG 1 HD1 ARG 1 11.823 -11.813 -8.774
11 HE ARG 1 HE ARG 1 10.893 -10.174 -6.460
12 HH11 ARG 1 HH11 ARG 1 9.300 -12.471 -8.025
13 HH12 ARG 1 HH12 ARG 1 9.452 -13.732 -6.846
14 HH21 ARG 1 HH21 ARG 1 11.882 -12.082 -5.004
15 HH22 ARG 1 HH22 ARG 1 10.912 -13.512 -5.137
16 H GLY 2 HN GLY 2 9.739 -8.400 -8.370
17 HA2 GLY 2 HA2 GLY 2 8.040 -6.603 -9.861
18 HA3 GLY 2 HA1 GLY 2 7.683 -7.265 -8.265
19 H GLY 3 HN GLY 3 10.463 -6.084 -7.455
20 HA2 GLY 3 HA2 GLY 3 10.525 -3.300 -7.649
21 HA3 GLY 3 HA1 GLY 3 9.400 -3.639 -6.335
22 H ARG 4 HN ARG 4 12.327 -2.608 -6.649
23 HA ARG 4 HA ARG 4 13.278 -4.258 -4.386
24 HB2 ARG 4 HB2 ARG 4 14.987 -2.988 -6.546
25 HB3 ARG 4 HB1 ARG 4 15.539 -4.068 -5.275
26 HG2 ARG 4 HG2 ARG 4 15.364 -5.506 -7.119
27 HG3 ARG 4 HG1 ARG 4 13.842 -5.766 -6.273
28 HD2 ARG 4 HD2 ARG 4 13.936 -5.271 -8.919
29 HD3 ARG 4 HD1 ARG 4 12.595 -4.699 -7.918
30 HE ARG 4 HE ARG 4 13.601 -2.488 -7.896
31 HH11 ARG 4 HH11 ARG 4 16.256 -4.313 -8.527
32 HH12 ARG 4 HH12 ARG 4 16.812 -3.416 -9.900
33 HH21 ARG 4 HH21 ARG 4 13.903 -1.551 -10.191
34 HH22 ARG 4 HH22 ARG 4 15.479 -1.852 -10.842
35 H LEU 5 HN LEU 5 12.880 -2.828 -2.756
36 HA LEU 5 HA LEU 5 13.759 -0.005 -3.114
37 HB2 LEU 5 HB2 LEU 5 11.690 -1.277 -1.284
38 HB3 LEU 5 HB1 LEU 5 12.035 0.449 -1.381
39 HG LEU 5 HG LEU 5 10.125 0.131 -2.760
40 HD11 LEU 5 HD11 LEU 5 12.184 -0.133 -4.905
41 HD12 LEU 5 HD12 LEU 5 12.329 1.222 -3.787
42 HD13 LEU 5 HD13 LEU 5 10.865 1.028 -4.751
43 HD21 LEU 5 HD21 LEU 5 9.627 -1.787 -3.871
44 HD22 LEU 5 HD22 LEU 5 10.961 -2.490 -2.956
45 HD23 LEU 5 HD23 LEU 5 11.232 -1.891 -4.592
46 H CYS 6 HN CYS 6 15.713 0.156 -2.225
47 HA CYS 6 HA CYS 6 16.108 -0.707 0.589
48 HB2 CYS 6 HB2 CYS 6 17.180 -2.018 -1.782
49 HB3 CYS 6 HB1 CYS 6 18.479 -1.451 -0.732
50 H TYR 7 HN TYR 7 16.885 0.956 1.617
51 HA TYR 7 HA TYR 7 19.151 2.514 0.703
52 HB2 TYR 7 HB2 TYR 7 17.432 4.590 0.935
53 HB3 TYR 7 HB1 TYR 7 17.701 3.788 -0.606
54 HD1 TYR 7 HD1 TYR 7 16.042 2.922 -1.710
55 HD2 TYR 7 HD2 TYR 7 15.742 3.524 2.492
56 HE1 TYR 7 HE1 TYR 7 13.707 2.192 -1.820
57 HE2 TYR 7 HE2 TYR 7 13.396 2.806 2.445
58 HH TYR 7 HH TYR 7 11.599 2.507 -0.439
59 H CYS 8 HN CYS 8 19.678 4.022 2.341
60 HA CYS 8 HA CYS 8 18.243 3.836 4.919
61 HB2 CYS 8 HB2 CYS 8 19.902 1.950 4.484
62 HB3 CYS 8 HB1 CYS 8 21.157 3.172 4.679
63 H ARG 9 HN ARG 9 18.085 5.812 5.578
64 HA ARG 9 HA ARG 9 20.318 7.772 5.332
65 HB2 ARG 9 HB2 ARG 9 17.380 7.878 4.732
66 HB3 ARG 9 HB1 ARG 9 18.207 9.358 5.219
67 HG2 ARG 9 HG2 ARG 9 18.430 9.381 2.887
68 HG3 ARG 9 HG1 ARG 9 19.961 8.692 3.424
69 HD2 ARG 9 HD2 ARG 9 18.153 6.515 3.165
70 HD3 ARG 9 HD1 ARG 9 17.988 7.502 1.700
71 HE ARG 9 HE ARG 9 20.651 6.586 2.729
72 HH11 ARG 9 HH11 ARG 9 19.816 8.666 0.443
73 HH12 ARG 9 HH12 ARG 9 20.286 7.730 -0.936
74 HH21 ARG 9 HH21 ARG 9 20.660 4.785 0.853
75 HH22 ARG 9 HH22 ARG 9 20.761 5.535 -0.705
76 HA PRO 10 HA PRO 10 19.934 7.845 9.740
77 HB2 PRO 10 HB2 PRO 10 20.753 10.452 10.190
78 HB3 PRO 10 HB1 PRO 10 21.858 9.091 9.902
79 HG2 PRO 10 HG2 PRO 10 20.784 11.089 7.941
80 HG3 PRO 10 HG1 PRO 10 22.455 10.533 8.171
81 HD2 PRO 10 HD2 PRO 10 21.015 9.509 6.203
82 HD3 PRO 10 HD1 PRO 10 22.014 8.425 7.202
83 H ARG 11 HN ARG 11 18.207 9.889 7.566
84 HA ARG 11 HA ARG 11 16.429 11.091 9.549
85 HB2 ARG 11 HB2 ARG 11 16.527 10.904 6.551
86 HB3 ARG 11 HB1 ARG 11 15.256 11.776 7.411
87 HG2 ARG 11 HG2 ARG 11 16.877 13.265 8.419
88 HG3 ARG 11 HG1 ARG 11 18.216 12.322 7.761
89 HD2 ARG 11 HD2 ARG 11 17.980 14.168 6.265
90 HD3 ARG 11 HD1 ARG 11 17.164 12.824 5.440
91 HE ARG 11 HE ARG 11 15.271 14.101 7.147
92 HH11 ARG 11 HH11 ARG 11 16.463 16.592 6.115
93 HH12 ARG 11 HH12 ARG 11 15.616 16.841 4.625
94 HH21 ARG 11 HH21 ARG 11 14.451 13.583 4.433
95 HH22 ARG 11 HH22 ARG 11 14.477 15.138 3.673
96 H PHE 12 HN PHE 12 16.559 8.311 7.528
97 HA PHE 12 HA PHE 12 14.390 6.894 8.867
98 HB2 PHE 12 HB2 PHE 12 12.975 6.888 6.771
99 HB3 PHE 12 HB1 PHE 12 13.123 8.510 7.474
100 HD1 PHE 12 HD1 PHE 12 14.340 6.248 4.808
101 HD2 PHE 12 HD2 PHE 12 14.495 10.178 6.496
102 HE1 PHE 12 HE1 PHE 12 15.516 7.069 2.791
103 HE2 PHE 12 HE2 PHE 12 15.662 11.021 4.489
104 HZ PHE 12 HZ PHE 12 16.175 9.462 2.612
105 H CYS 13 HN CYS 13 14.332 4.627 7.811
106 HA CYS 13 HA CYS 13 16.012 4.229 5.514
107 HB2 CYS 13 HB2 CYS 13 17.856 4.636 6.846
108 HB3 CYS 13 HB1 CYS 13 17.075 4.038 8.300
109 H VAL 14 HN VAL 14 15.423 2.281 4.626
110 HA VAL 14 HA VAL 14 14.636 -0.025 6.247
111 HB VAL 14 HB VAL 14 12.755 1.947 5.159
112 HG11 VAL 14 HG11 VAL 14 12.316 -1.003 4.642
113 HG12 VAL 14 HG12 VAL 14 12.375 0.285 3.437
114 HG13 VAL 14 HG13 VAL 14 11.035 0.207 4.583
115 HG21 VAL 14 HG21 VAL 14 11.854 1.594 7.190
116 HG22 VAL 14 HG22 VAL 14 13.172 0.469 7.512
117 HG23 VAL 14 HG23 VAL 14 11.648 -0.124 6.853
118 H CYS 15 HN CYS 15 14.316 -1.907 4.927
119 HA CYS 15 HA CYS 15 15.126 -1.624 2.057
120 HB2 CYS 15 HB2 CYS 15 16.552 -2.765 4.288
121 HB3 CYS 15 HB1 CYS 15 16.174 -4.043 3.133
122 H VAL 16 HN VAL 16 13.770 -2.728 0.725
123 HA VAL 16 HA VAL 16 12.564 -5.274 1.424
124 HB VAL 16 HB VAL 16 10.259 -3.840 0.823
125 HG11 VAL 16 HG11 VAL 16 11.207 -4.402 3.632
126 HG12 VAL 16 HG12 VAL 16 10.758 -5.693 2.517
127 HG13 VAL 16 HG13 VAL 16 9.564 -4.485 2.996
128 HG21 VAL 16 HG21 VAL 16 10.172 -1.885 2.160
129 HG22 VAL 16 HG22 VAL 16 11.721 -1.761 1.327
130 HG23 VAL 16 HG23 VAL 16 11.664 -2.294 3.007
131 H GLY 17 HN GLY 17 12.204 -6.381 -0.355
132 HA2 GLY 17 HA2 GLY 17 11.387 -5.188 -2.846
133 HA3 GLY 17 HA1 GLY 17 13.101 -5.615 -2.863
134 H ARG 18 HN ARG 18 9.946 -6.801 -3.239
135 HA ARG 18 HA ARG 18 11.031 -9.409 -3.812
136 HB2 ARG 18 HB2 ARG 18 10.231 -10.577 -1.932
137 HB3 ARG 18 HB1 ARG 18 10.831 -9.063 -1.254
138 HG2 ARG 18 HG2 ARG 18 7.957 -9.836 -1.806
139 HG3 ARG 18 HG1 ARG 18 8.693 -9.450 -0.255
140 HD2 ARG 18 HD2 ARG 18 8.262 -7.495 -2.545
141 HD3 ARG 18 HD1 ARG 18 7.367 -7.535 -1.018
142 HE ARG 18 HE ARG 18 10.289 -7.364 -0.735
143 HH11 ARG 18 HH11 ARG 18 9.607 -4.852 -2.076
144 HH12 ARG 18 HH12 ARG 18 9.112 -3.823 -0.774
145 HH21 ARG 18 HH21 ARG 18 8.628 -6.438 1.454
146 HH22 ARG 18 HH22 ARG 18 8.555 -4.723 1.228
Start of MODEL 12
1 H1 ARG 1 HT1 ARG 1 11.698 -10.835 -9.937
2 H2 ARG 1 HT2 ARG 1 10.673 -9.977 -10.986
3 H3 ARG 1 HT3 ARG 1 10.016 -10.989 -9.792
4 HA ARG 1 HA ARG 1 10.497 -9.531 -8.075
5 HB2 ARG 1 HB2 ARG 1 12.283 -7.878 -8.286
6 HB3 ARG 1 HB1 ARG 1 12.883 -9.444 -8.825
7 HG2 ARG 1 HG2 ARG 1 12.072 -8.629 -11.191
8 HG3 ARG 1 HG1 ARG 1 12.177 -7.027 -10.461
9 HD2 ARG 1 HD2 ARG 1 14.315 -7.591 -11.546
10 HD3 ARG 1 HD1 ARG 1 14.538 -7.541 -9.786
11 HE ARG 1 HE ARG 1 13.766 -10.174 -10.364
12 HH11 ARG 1 HH11 ARG 1 15.388 -9.552 -12.880
13 HH12 ARG 1 HH12 ARG 1 16.959 -10.107 -12.406
14 HH21 ARG 1 HH21 ARG 1 16.189 -10.227 -9.027
15 HH22 ARG 1 HH22 ARG 1 17.412 -10.489 -10.224
16 H GLY 2 HN GLY 2 10.918 -6.635 -8.897
17 HA2 GLY 2 HA2 GLY 2 9.360 -5.529 -10.808
18 HA3 GLY 2 HA1 GLY 2 8.128 -6.134 -9.699
19 H GLY 3 HN GLY 3 10.048 -5.652 -7.396
20 HA2 GLY 3 HA2 GLY 3 10.285 -2.713 -7.342
21 HA3 GLY 3 HA1 GLY 3 9.137 -3.412 -6.200
22 H ARG 4 HN ARG 4 12.248 -2.397 -6.531
23 HA ARG 4 HA ARG 4 13.027 -4.114 -4.250
24 HB2 ARG 4 HB2 ARG 4 14.828 -3.043 -6.448
25 HB3 ARG 4 HB1 ARG 4 15.311 -4.114 -5.142
26 HG2 ARG 4 HG2 ARG 4 15.004 -5.598 -6.933
27 HG3 ARG 4 HG1 ARG 4 13.487 -5.719 -6.052
28 HD2 ARG 4 HD2 ARG 4 13.563 -5.335 -8.719
29 HD3 ARG 4 HD1 ARG 4 12.280 -4.642 -7.720
30 HE ARG 4 HE ARG 4 13.495 -2.507 -7.739
31 HH11 ARG 4 HH11 ARG 4 16.156 -4.037 -8.376
32 HH12 ARG 4 HH12 ARG 4 16.473 -3.419 -9.963
33 HH21 ARG 4 HH21 ARG 4 13.283 -2.125 -10.385
34 HH22 ARG 4 HH22 ARG 4 14.846 -2.337 -11.100
35 H LEU 5 HN LEU 5 12.783 -2.649 -2.623
36 HA LEU 5 HA LEU 5 13.897 0.084 -3.010
37 HB2 LEU 5 HB2 LEU 5 11.736 -0.986 -1.161
38 HB3 LEU 5 HB1 LEU 5 12.226 0.701 -1.281
39 HG LEU 5 HG LEU 5 10.294 0.538 -2.652
40 HD11 LEU 5 HD11 LEU 5 11.100 1.329 -4.664
41 HD12 LEU 5 HD12 LEU 5 12.303 0.048 -4.805
42 HD13 LEU 5 HD13 LEU 5 12.583 1.403 -3.712
43 HD21 LEU 5 HD21 LEU 5 10.892 -2.152 -2.804
44 HD22 LEU 5 HD22 LEU 5 11.192 -1.607 -4.453
45 HD23 LEU 5 HD23 LEU 5 9.614 -1.349 -3.714
46 H CYS 6 HN CYS 6 15.842 0.124 -2.128
47 HA CYS 6 HA CYS 6 16.202 -0.752 0.691
48 HB2 CYS 6 HB2 CYS 6 17.276 -2.042 -1.721
49 HB3 CYS 6 HB1 CYS 6 18.534 -1.616 -0.560
50 H TYR 7 HN TYR 7 17.012 0.910 1.704
51 HA TYR 7 HA TYR 7 19.352 2.370 0.809
52 HB2 TYR 7 HB2 TYR 7 17.728 4.513 0.923
53 HB3 TYR 7 HB1 TYR 7 17.952 3.630 -0.581
54 HD1 TYR 7 HD1 TYR 7 15.987 3.626 2.525
55 HD2 TYR 7 HD2 TYR 7 16.256 2.770 -1.635
56 HE1 TYR 7 HE1 TYR 7 13.616 2.999 2.517
57 HE2 TYR 7 HE2 TYR 7 13.893 2.138 -1.708
58 HH TYR 7 HH TYR 7 12.102 1.432 0.995
59 H CYS 8 HN CYS 8 19.864 3.934 2.414
60 HA CYS 8 HA CYS 8 18.371 3.773 4.971
61 HB2 CYS 8 HB2 CYS 8 20.150 1.996 4.633
62 HB3 CYS 8 HB1 CYS 8 21.325 3.305 4.765
63 H ARG 9 HN ARG 9 18.049 5.757 5.538
64 HA ARG 9 HA ARG 9 20.145 7.863 5.274
65 HB2 ARG 9 HB2 ARG 9 17.210 7.768 4.614
66 HB3 ARG 9 HB1 ARG 9 17.970 9.309 5.010
67 HG2 ARG 9 HG2 ARG 9 18.215 9.190 2.682
68 HG3 ARG 9 HG1 ARG 9 19.769 8.608 3.276
69 HD2 ARG 9 HD2 ARG 9 18.055 6.342 3.145
70 HD3 ARG 9 HD1 ARG 9 17.879 7.220 1.614
71 HE ARG 9 HE ARG 9 20.600 6.664 2.718
72 HH11 ARG 9 HH11 ARG 9 21.324 4.769 1.387
73 HH12 ARG 9 HH12 ARG 9 21.052 4.931 -0.315
74 HH21 ARG 9 HH21 ARG 9 18.912 7.639 0.012
75 HH22 ARG 9 HH22 ARG 9 19.687 6.554 -1.092
76 HA PRO 10 HA PRO 10 19.613 8.086 9.662
77 HB2 PRO 10 HB2 PRO 10 20.225 10.764 10.023
78 HB3 PRO 10 HB1 PRO 10 21.437 9.479 9.827
79 HG2 PRO 10 HG2 PRO 10 20.281 11.308 7.749
80 HG3 PRO 10 HG1 PRO 10 21.981 10.892 8.054
81 HD2 PRO 10 HD2 PRO 10 20.689 9.681 6.090
82 HD3 PRO 10 HD1 PRO 10 21.730 8.716 7.166
83 H ARG 11 HN ARG 11 17.855 9.963 7.356
84 HA ARG 11 HA ARG 11 15.910 11.091 9.202
85 HB2 ARG 11 HB2 ARG 11 15.861 10.700 6.219
86 HB3 ARG 11 HB1 ARG 11 14.853 11.821 7.128
87 HG2 ARG 11 HG2 ARG 11 17.881 11.917 6.952
88 HG3 ARG 11 HG1 ARG 11 16.776 12.971 6.071
89 HD2 ARG 11 HD2 ARG 11 16.398 14.281 7.897
90 HD3 ARG 11 HD1 ARG 11 16.294 12.885 8.986
91 HE ARG 11 HE ARG 11 18.993 13.321 7.971
92 HH11 ARG 11 HH11 ARG 11 17.478 12.632 10.749
93 HH12 ARG 11 HH12 ARG 11 18.271 13.806 11.747
94 HH21 ARG 11 HH21 ARG 11 19.672 15.518 9.076
95 HH22 ARG 11 HH22 ARG 11 19.514 15.439 10.799
96 H PHE 12 HN PHE 12 16.313 8.233 7.333
97 HA PHE 12 HA PHE 12 14.234 6.720 8.700
98 HB2 PHE 12 HB2 PHE 12 12.855 6.493 6.596
99 HB3 PHE 12 HB1 PHE 12 12.866 8.158 7.207
100 HD1 PHE 12 HD1 PHE 12 14.071 9.878 6.129
101 HD2 PHE 12 HD2 PHE 12 14.342 5.849 4.710
102 HE1 PHE 12 HE1 PHE 12 15.204 10.695 4.094
103 HE2 PHE 12 HE2 PHE 12 15.465 6.649 2.657
104 HZ PHE 12 HZ PHE 12 15.900 9.077 2.330
105 H CYS 13 HN CYS 13 14.378 4.402 7.765
106 HA CYS 13 HA CYS 13 16.129 4.033 5.513
107 HB2 CYS 13 HB2 CYS 13 17.919 4.643 6.836
108 HB3 CYS 13 HB1 CYS 13 17.160 4.076 8.315
109 H VAL 14 HN VAL 14 15.576 2.066 4.678
110 HA VAL 14 HA VAL 14 15.063 -0.273 6.363
111 HB VAL 14 HB VAL 14 12.963 1.490 5.229
112 HG11 VAL 14 HG11 VAL 14 11.378 -0.485 5.103
113 HG12 VAL 14 HG12 VAL 14 12.795 -1.533 5.152
114 HG13 VAL 14 HG13 VAL 14 12.571 -0.416 3.806
115 HG21 VAL 14 HG21 VAL 14 12.827 1.478 7.517
116 HG22 VAL 14 HG22 VAL 14 13.491 -0.151 7.651
117 HG23 VAL 14 HG23 VAL 14 11.802 0.078 7.200
118 H CYS 15 HN CYS 15 14.840 -2.193 5.070
119 HA CYS 15 HA CYS 15 15.569 -1.848 2.180
120 HB2 CYS 15 HB2 CYS 15 17.048 -2.947 4.319
121 HB3 CYS 15 HB1 CYS 15 16.495 -4.325 3.368
122 H VAL 16 HN VAL 16 14.192 -2.882 0.814
123 HA VAL 16 HA VAL 16 12.912 -5.409 1.439
124 HB VAL 16 HB VAL 16 10.638 -3.911 0.911
125 HG11 VAL 16 HG11 VAL 16 11.864 -5.256 3.246
126 HG12 VAL 16 HG12 VAL 16 10.283 -5.498 2.501
127 HG13 VAL 16 HG13 VAL 16 10.539 -4.149 3.608
128 HG21 VAL 16 HG21 VAL 16 12.094 -2.424 3.102
129 HG22 VAL 16 HG22 VAL 16 10.614 -1.968 2.259
130 HG23 VAL 16 HG23 VAL 16 12.165 -1.876 1.427
131 H GLY 17 HN GLY 17 12.426 -6.435 -0.369
132 HA2 GLY 17 HA2 GLY 17 11.688 -5.084 -2.808
133 HA3 GLY 17 HA1 GLY 17 13.349 -5.683 -2.860
134 H ARG 18 HN ARG 18 10.078 -6.522 -3.180
135 HA ARG 18 HA ARG 18 10.836 -9.186 -3.934
136 HB2 ARG 18 HB2 ARG 18 9.986 -10.370 -2.065
137 HB3 ARG 18 HB1 ARG 18 10.866 -9.010 -1.363
138 HG2 ARG 18 HG2 ARG 18 7.873 -9.063 -1.856
139 HG3 ARG 18 HG1 ARG 18 8.643 -9.373 -0.302
140 HD2 ARG 18 HD2 ARG 18 8.326 -7.115 -0.025
141 HD3 ARG 18 HD1 ARG 18 9.822 -7.006 -0.974
142 HE ARG 18 HE ARG 18 7.471 -7.282 -2.660
143 HH11 ARG 18 HH11 ARG 18 8.415 -5.639 -4.282
144 HH12 ARG 18 HH12 ARG 18 8.398 -4.014 -3.684
145 HH21 ARG 18 HH21 ARG 18 7.873 -4.950 -0.386
146 HH22 ARG 18 HH22 ARG 18 8.092 -3.623 -1.479
Start of MODEL 13
1 H1 ARG 1 HT1 ARG 1 11.402 -7.389 -13.125
2 H2 ARG 1 HT2 ARG 1 12.994 -7.412 -12.531
3 H3 ARG 1 HT3 ARG 1 11.986 -6.081 -12.216
4 HA ARG 1 HA ARG 1 11.459 -8.837 -11.223
5 HB2 ARG 1 HB2 ARG 1 13.529 -7.162 -10.542
6 HB3 ARG 1 HB1 ARG 1 12.283 -6.665 -9.397
7 HG2 ARG 1 HG2 ARG 1 12.104 -8.832 -8.469
8 HG3 ARG 1 HG1 ARG 1 12.922 -9.580 -9.841
9 HD2 ARG 1 HD2 ARG 1 14.556 -7.531 -8.494
10 HD3 ARG 1 HD1 ARG 1 14.162 -8.924 -7.466
11 HE ARG 1 HE ARG 1 14.854 -10.212 -9.721
12 HH11 ARG 1 HH11 ARG 1 16.573 -9.344 -11.297
13 HH12 ARG 1 HH12 ARG 1 18.035 -8.856 -10.506
14 HH21 ARG 1 HH21 ARG 1 16.612 -8.774 -7.345
15 HH22 ARG 1 HH22 ARG 1 18.057 -8.534 -8.269
16 H GLY 2 HN GLY 2 10.491 -7.696 -8.756
17 HA2 GLY 2 HA2 GLY 2 7.922 -6.549 -9.746
18 HA3 GLY 2 HA1 GLY 2 8.120 -7.414 -8.221
19 H GLY 3 HN GLY 3 10.355 -6.145 -7.161
20 HA2 GLY 3 HA2 GLY 3 10.317 -3.292 -7.273
21 HA3 GLY 3 HA1 GLY 3 9.257 -3.818 -5.966
22 H ARG 4 HN ARG 4 12.194 -2.659 -6.397
23 HA ARG 4 HA ARG 4 13.231 -4.318 -4.181
24 HB2 ARG 4 HB2 ARG 4 14.831 -3.084 -6.444
25 HB3 ARG 4 HB1 ARG 4 15.463 -4.113 -5.166
26 HG2 ARG 4 HG2 ARG 4 15.211 -5.624 -6.939
27 HG3 ARG 4 HG1 ARG 4 13.730 -5.861 -6.016
28 HD2 ARG 4 HD2 ARG 4 13.701 -5.473 -8.681
29 HD3 ARG 4 HD1 ARG 4 12.402 -4.871 -7.646
30 HE ARG 4 HE ARG 4 13.423 -2.653 -7.730
31 HH11 ARG 4 HH11 ARG 4 13.564 -1.661 -9.968
32 HH12 ARG 4 HH12 ARG 4 15.025 -2.040 -10.818
33 HH21 ARG 4 HH21 ARG 4 15.908 -4.630 -8.691
34 HH22 ARG 4 HH22 ARG 4 16.349 -3.721 -10.096
35 H LEU 5 HN LEU 5 12.888 -2.875 -2.545
36 HA LEU 5 HA LEU 5 13.847 -0.080 -2.930
37 HB2 LEU 5 HB2 LEU 5 11.745 -1.248 -1.070
38 HB3 LEU 5 HB1 LEU 5 12.152 0.459 -1.204
39 HG LEU 5 HG LEU 5 10.218 0.188 -2.553
40 HD11 LEU 5 HD11 LEU 5 12.203 -0.194 -4.739
41 HD12 LEU 5 HD12 LEU 5 12.474 1.151 -3.631
42 HD13 LEU 5 HD13 LEU 5 10.969 1.051 -4.546
43 HD21 LEU 5 HD21 LEU 5 10.973 -2.467 -2.723
44 HD22 LEU 5 HD22 LEU 5 11.196 -1.894 -4.375
45 HD23 LEU 5 HD23 LEU 5 9.625 -1.735 -3.593
46 H CYS 6 HN CYS 6 15.811 0.000 -2.059
47 HA CYS 6 HA CYS 6 16.179 -0.862 0.763
48 HB2 CYS 6 HB2 CYS 6 17.189 -2.223 -1.594
49 HB3 CYS 6 HB1 CYS 6 18.531 -1.644 -0.609
50 H TYR 7 HN TYR 7 16.958 0.812 1.781
51 HA TYR 7 HA TYR 7 19.279 2.303 0.884
52 HB2 TYR 7 HB2 TYR 7 17.615 4.421 1.026
53 HB3 TYR 7 HB1 TYR 7 17.872 3.565 -0.489
54 HD1 TYR 7 HD1 TYR 7 16.199 2.699 -1.576
55 HD2 TYR 7 HD2 TYR 7 15.878 3.469 2.597
56 HE1 TYR 7 HE1 TYR 7 13.848 2.026 -1.681
57 HE2 TYR 7 HE2 TYR 7 13.516 2.811 2.554
58 HH TYR 7 HH TYR 7 11.660 2.608 0.947
59 H CYS 8 HN CYS 8 19.801 3.841 2.496
60 HA CYS 8 HA CYS 8 18.288 3.768 5.032
61 HB2 CYS 8 HB2 CYS 8 19.906 1.828 4.732
62 HB3 CYS 8 HB1 CYS 8 21.188 3.023 4.916
63 H ARG 9 HN ARG 9 18.142 5.775 5.580
64 HA ARG 9 HA ARG 9 20.441 7.662 5.398
65 HB2 ARG 9 HB2 ARG 9 17.559 7.826 4.573
66 HB3 ARG 9 HB1 ARG 9 18.396 9.300 5.059
67 HG2 ARG 9 HG2 ARG 9 18.808 9.224 2.761
68 HG3 ARG 9 HG1 ARG 9 20.258 8.487 3.437
69 HD2 ARG 9 HD2 ARG 9 18.373 6.387 3.118
70 HD3 ARG 9 HD1 ARG 9 18.365 7.322 1.610
71 HE ARG 9 HE ARG 9 20.908 6.363 2.873
72 HH11 ARG 9 HH11 ARG 9 22.520 6.840 1.191
73 HH12 ARG 9 HH12 ARG 9 22.082 6.409 -0.428
74 HH21 ARG 9 HH21 ARG 9 18.746 5.858 0.337
75 HH22 ARG 9 HH22 ARG 9 19.948 5.852 -0.911
76 HA PRO 10 HA PRO 10 19.739 7.967 9.755
77 HB2 PRO 10 HB2 PRO 10 20.584 10.577 10.137
78 HB3 PRO 10 HB1 PRO 10 21.676 9.182 9.995
79 HG2 PRO 10 HG2 PRO 10 20.791 11.101 7.867
80 HG3 PRO 10 HG1 PRO 10 22.429 10.524 8.246
81 HD2 PRO 10 HD2 PRO 10 21.109 9.434 6.229
82 HD3 PRO 10 HD1 PRO 10 22.011 8.380 7.346
83 H ARG 11 HN ARG 11 18.241 9.940 7.361
84 HA ARG 11 HA ARG 11 16.341 11.279 9.119
85 HB2 ARG 11 HB2 ARG 11 16.556 10.875 6.143
86 HB3 ARG 11 HB1 ARG 11 15.374 11.935 6.910
87 HG2 ARG 11 HG2 ARG 11 18.374 12.194 7.264
88 HG3 ARG 11 HG1 ARG 11 17.434 13.131 6.102
89 HD2 ARG 11 HD2 ARG 11 16.390 13.147 8.883
90 HD3 ARG 11 HD1 ARG 11 17.923 14.002 8.624
91 HE ARG 11 HE ARG 11 15.538 14.506 6.882
92 HH11 ARG 11 HH11 ARG 11 15.432 16.344 9.084
93 HH12 ARG 11 HH12 ARG 11 16.458 17.657 8.607
94 HH21 ARG 11 HH21 ARG 11 18.068 15.842 6.129
95 HH22 ARG 11 HH22 ARG 11 17.949 17.373 6.932
96 H PHE 12 HN PHE 12 16.558 8.381 7.277
97 HA PHE 12 HA PHE 12 14.288 7.072 8.554
98 HB2 PHE 12 HB2 PHE 12 13.000 6.962 6.381
99 HB3 PHE 12 HB1 PHE 12 13.131 8.620 6.996
100 HD1 PHE 12 HD1 PHE 12 14.568 10.216 5.998
101 HD2 PHE 12 HD2 PHE 12 14.486 6.186 4.554
102 HE1 PHE 12 HE1 PHE 12 15.875 10.920 4.025
103 HE2 PHE 12 HE2 PHE 12 15.780 6.874 2.560
104 HZ PHE 12 HZ PHE 12 16.480 9.246 2.279
105 H CYS 13 HN CYS 13 14.258 4.745 7.630
106 HA CYS 13 HA CYS 13 16.052 4.193 5.456
107 HB2 CYS 13 HB2 CYS 13 17.845 4.654 6.835
108 HB3 CYS 13 HB1 CYS 13 16.988 4.177 8.292
109 H VAL 14 HN VAL 14 15.411 2.241 4.635
110 HA VAL 14 HA VAL 14 14.605 -0.001 6.333
111 HB VAL 14 HB VAL 14 12.726 1.912 5.078
112 HG11 VAL 14 HG11 VAL 14 12.237 0.058 3.628
113 HG12 VAL 14 HG12 VAL 14 10.985 0.075 4.870
114 HG13 VAL 14 HG13 VAL 14 12.311 -1.084 4.970
115 HG21 VAL 14 HG21 VAL 14 12.481 1.912 7.361
116 HG22 VAL 14 HG22 VAL 14 12.965 0.223 7.515
117 HG23 VAL 14 HG23 VAL 14 11.335 0.628 6.976
118 H CYS 15 HN CYS 15 14.278 -1.927 5.069
119 HA CYS 15 HA CYS 15 15.075 -1.728 2.186
120 HB2 CYS 15 HB2 CYS 15 16.465 -2.870 4.455
121 HB3 CYS 15 HB1 CYS 15 16.114 -4.121 3.264
122 H VAL 16 HN VAL 16 13.488 -2.623 1.003
123 HA VAL 16 HA VAL 16 12.310 -5.228 1.714
124 HB VAL 16 HB VAL 16 10.695 -2.667 1.440
125 HG11 VAL 16 HG11 VAL 16 8.845 -3.915 1.080
126 HG12 VAL 16 HG12 VAL 16 9.288 -5.070 2.338
127 HG13 VAL 16 HG13 VAL 16 9.939 -5.247 0.710
128 HG21 VAL 16 HG21 VAL 16 11.326 -4.493 3.767
129 HG22 VAL 16 HG22 VAL 16 9.940 -3.402 3.786
130 HG23 VAL 16 HG23 VAL 16 11.573 -2.751 3.652
131 H GLY 17 HN GLY 17 12.356 -6.349 -0.131
132 HA2 GLY 17 HA2 GLY 17 11.296 -5.240 -2.574
133 HA3 GLY 17 HA1 GLY 17 13.052 -5.415 -2.623
134 H ARG 18 HN ARG 18 10.102 -7.027 -3.002
135 HA ARG 18 HA ARG 18 11.565 -9.454 -3.584
136 HB2 ARG 18 HB2 ARG 18 10.605 -10.779 -1.801
137 HB3 ARG 18 HB1 ARG 18 11.347 -9.329 -1.105
138 HG2 ARG 18 HG2 ARG 18 8.432 -9.282 -1.864
139 HG3 ARG 18 HG1 ARG 18 8.926 -10.037 -0.351
140 HD2 ARG 18 HD2 ARG 18 9.323 -7.157 -1.203
141 HD3 ARG 18 HD1 ARG 18 8.500 -7.772 0.243
142 HE ARG 18 HE ARG 18 11.433 -7.719 -0.170
143 HH11 ARG 18 HH11 ARG 18 9.208 -7.051 2.106
144 HH12 ARG 18 HH12 ARG 18 9.864 -8.048 3.362
145 HH21 ARG 18 HH21 ARG 18 12.072 -9.699 1.261
146 HH22 ARG 18 HH22 ARG 18 11.486 -9.547 2.883
Start of MODEL 14
1 H1 ARG 1 HT1 ARG 1 12.910 -6.010 -10.379
2 H2 ARG 1 HT2 ARG 1 12.584 -6.582 -11.945
3 H3 ARG 1 HT3 ARG 1 13.787 -7.322 -11.001
4 HA ARG 1 HA ARG 1 11.641 -8.591 -11.129
5 HB2 ARG 1 HB2 ARG 1 13.551 -8.210 -9.191
6 HB3 ARG 1 HB1 ARG 1 12.068 -7.885 -8.292
7 HG2 ARG 1 HG2 ARG 1 11.178 -10.033 -8.759
8 HG3 ARG 1 HG1 ARG 1 12.343 -10.322 -10.052
9 HD2 ARG 1 HD2 ARG 1 13.405 -9.825 -7.290
10 HD3 ARG 1 HD1 ARG 1 12.716 -11.419 -7.662
11 HE ARG 1 HE ARG 1 14.815 -10.183 -9.405
12 HH11 ARG 1 HH11 ARG 1 16.194 -11.719 -7.441
13 HH12 ARG 1 HH12 ARG 1 16.157 -13.345 -8.036
14 HH21 ARG 1 HH21 ARG 1 13.570 -12.750 -10.267
15 HH22 ARG 1 HH22 ARG 1 14.670 -13.928 -9.637
16 H GLY 2 HN GLY 2 10.026 -8.401 -8.731
17 HA2 GLY 2 HA2 GLY 2 7.896 -6.742 -9.678
18 HA3 GLY 2 HA1 GLY 2 7.967 -7.485 -8.080
19 H GLY 3 HN GLY 3 10.497 -6.185 -7.356
20 HA2 GLY 3 HA2 GLY 3 10.562 -3.400 -7.585
21 HA3 GLY 3 HA1 GLY 3 9.422 -3.726 -6.281
22 H ARG 4 HN ARG 4 12.354 -2.702 -6.567
23 HA ARG 4 HA ARG 4 13.271 -4.329 -4.274
24 HB2 ARG 4 HB2 ARG 4 14.978 -3.143 -6.487
25 HB3 ARG 4 HB1 ARG 4 15.553 -4.135 -5.155
26 HG2 ARG 4 HG2 ARG 4 15.390 -5.688 -6.902
27 HG3 ARG 4 HG1 ARG 4 13.878 -5.917 -6.031
28 HD2 ARG 4 HD2 ARG 4 13.956 -5.594 -8.708
29 HD3 ARG 4 HD1 ARG 4 12.601 -5.001 -7.740
30 HE ARG 4 HE ARG 4 13.626 -2.762 -7.792
31 HH11 ARG 4 HH11 ARG 4 13.411 -2.292 -10.367
32 HH12 ARG 4 HH12 ARG 4 14.961 -2.446 -11.123
33 HH21 ARG 4 HH21 ARG 4 16.360 -4.225 -8.495
34 HH22 ARG 4 HH22 ARG 4 16.631 -3.542 -10.064
35 H LEU 5 HN LEU 5 12.869 -2.859 -2.680
36 HA LEU 5 HA LEU 5 13.830 -0.066 -3.073
37 HB2 LEU 5 HB2 LEU 5 11.685 -1.221 -1.254
38 HB3 LEU 5 HB1 LEU 5 12.080 0.488 -1.408
39 HG LEU 5 HG LEU 5 10.187 0.174 -2.808
40 HD11 LEU 5 HD11 LEU 5 12.240 -0.235 -4.927
41 HD12 LEU 5 HD12 LEU 5 12.463 1.137 -3.842
42 HD13 LEU 5 HD13 LEU 5 10.988 0.999 -4.798
43 HD21 LEU 5 HD21 LEU 5 9.646 -1.772 -3.840
44 HD22 LEU 5 HD22 LEU 5 10.956 -2.476 -2.894
45 HD23 LEU 5 HD23 LEU 5 11.250 -1.943 -4.549
46 H CYS 6 HN CYS 6 15.758 0.060 -2.131
47 HA CYS 6 HA CYS 6 16.059 -0.763 0.704
48 HB2 CYS 6 HB2 CYS 6 16.716 -2.608 -1.040
49 HB3 CYS 6 HB1 CYS 6 18.139 -1.602 -1.308
50 H TYR 7 HN TYR 7 16.876 0.898 1.709
51 HA TYR 7 HA TYR 7 19.230 2.334 0.803
52 HB2 TYR 7 HB2 TYR 7 17.605 4.485 0.921
53 HB3 TYR 7 HB1 TYR 7 17.847 3.608 -0.584
54 HD1 TYR 7 HD1 TYR 7 16.163 2.757 -1.660
55 HD2 TYR 7 HD2 TYR 7 15.854 3.580 2.504
56 HE1 TYR 7 HE1 TYR 7 13.801 2.122 -1.760
57 HE2 TYR 7 HE2 TYR 7 13.479 2.961 2.467
58 HH TYR 7 HH TYR 7 11.586 2.929 0.488
59 H CYS 8 HN CYS 8 19.775 3.878 2.395
60 HA CYS 8 HA CYS 8 18.294 3.766 4.961
61 HB2 CYS 8 HB2 CYS 8 20.027 1.934 4.585
62 HB3 CYS 8 HB1 CYS 8 21.232 3.210 4.755
63 H ARG 9 HN ARG 9 18.059 5.760 5.551
64 HA ARG 9 HA ARG 9 20.205 7.800 5.186
65 HB2 ARG 9 HB2 ARG 9 17.235 7.774 4.741
66 HB3 ARG 9 HB1 ARG 9 18.038 9.296 5.121
67 HG2 ARG 9 HG2 ARG 9 18.114 9.224 2.775
68 HG3 ARG 9 HG1 ARG 9 19.703 8.631 3.252
69 HD2 ARG 9 HD2 ARG 9 18.003 6.360 3.195
70 HD3 ARG 9 HD1 ARG 9 17.687 7.271 1.706
71 HE ARG 9 HE ARG 9 20.443 6.489 2.589
72 HH11 ARG 9 HH11 ARG 9 20.057 8.641 0.473
73 HH12 ARG 9 HH12 ARG 9 20.220 7.717 -0.983
74 HH21 ARG 9 HH21 ARG 9 19.791 4.659 0.592
75 HH22 ARG 9 HH22 ARG 9 20.071 5.464 -0.915
76 HA PRO 10 HA PRO 10 20.000 7.999 9.605
77 HB2 PRO 10 HB2 PRO 10 20.803 10.627 9.933
78 HB3 PRO 10 HB1 PRO 10 21.915 9.273 9.637
79 HG2 PRO 10 HG2 PRO 10 20.733 11.201 7.672
80 HG3 PRO 10 HG1 PRO 10 22.417 10.664 7.840
81 HD2 PRO 10 HD2 PRO 10 20.881 9.583 5.970
82 HD3 PRO 10 HD1 PRO 10 21.958 8.539 6.929
83 H ARG 11 HN ARG 11 18.121 9.858 7.426
84 HA ARG 11 HA ARG 11 16.418 11.115 9.457
85 HB2 ARG 11 HB2 ARG 11 16.316 10.916 6.455
86 HB3 ARG 11 HB1 ARG 11 15.237 11.919 7.423
87 HG2 ARG 11 HG2 ARG 11 18.259 12.161 7.311
88 HG3 ARG 11 HG1 ARG 11 17.112 13.253 6.537
89 HD2 ARG 11 HD2 ARG 11 16.469 12.934 9.358
90 HD3 ARG 11 HD1 ARG 11 18.133 13.508 9.142
91 HE ARG 11 HE ARG 11 15.726 14.986 8.451
92 HH11 ARG 11 HH11 ARG 11 19.009 15.233 8.842
93 HH12 ARG 11 HH12 ARG 11 19.273 16.387 7.579
94 HH21 ARG 11 HH21 ARG 11 16.060 16.123 6.301
95 HH22 ARG 11 HH22 ARG 11 17.605 16.892 6.141
96 H PHE 12 HN PHE 12 16.548 8.319 7.481
97 HA PHE 12 HA PHE 12 14.417 6.897 8.863
98 HB2 PHE 12 HB2 PHE 12 12.969 6.829 6.794
99 HB3 PHE 12 HB1 PHE 12 13.101 8.467 7.461
100 HD1 PHE 12 HD1 PHE 12 14.430 10.136 6.429
101 HD2 PHE 12 HD2 PHE 12 14.310 6.170 4.824
102 HE1 PHE 12 HE1 PHE 12 15.558 10.953 4.390
103 HE2 PHE 12 HE2 PHE 12 15.423 6.971 2.764
104 HZ PHE 12 HZ PHE 12 16.050 9.368 2.530
105 H CYS 13 HN CYS 13 14.392 4.608 7.851
106 HA CYS 13 HA CYS 13 16.066 4.206 5.543
107 HB2 CYS 13 HB2 CYS 13 17.914 4.657 6.848
108 HB3 CYS 13 HB1 CYS 13 17.142 4.103 8.325
109 H VAL 14 HN VAL 14 15.425 2.266 4.673
110 HA VAL 14 HA VAL 14 14.753 -0.059 6.317
111 HB VAL 14 HB VAL 14 12.773 1.873 5.253
112 HG11 VAL 14 HG11 VAL 14 12.208 0.073 3.770
113 HG12 VAL 14 HG12 VAL 14 11.052 0.000 5.100
114 HG13 VAL 14 HG13 VAL 14 12.409 -1.125 5.050
115 HG21 VAL 14 HG21 VAL 14 13.219 0.142 7.621
116 HG22 VAL 14 HG22 VAL 14 11.537 0.451 7.188
117 HG23 VAL 14 HG23 VAL 14 12.621 1.798 7.533
118 H CYS 15 HN CYS 15 14.343 -1.937 4.988
119 HA CYS 15 HA CYS 15 14.978 -1.603 2.079
120 HB2 CYS 15 HB2 CYS 15 16.930 -2.297 3.501
121 HB3 CYS 15 HB1 CYS 15 16.031 -3.752 3.934
122 H VAL 16 HN VAL 16 13.566 -2.640 0.815
123 HA VAL 16 HA VAL 16 12.246 -5.149 1.572
124 HB VAL 16 HB VAL 16 10.781 -2.509 1.231
125 HG11 VAL 16 HG11 VAL 16 9.887 -5.335 0.940
126 HG12 VAL 16 HG12 VAL 16 9.275 -3.876 0.162
127 HG13 VAL 16 HG13 VAL 16 8.816 -4.249 1.824
128 HG21 VAL 16 HG21 VAL 16 11.449 -2.715 3.493
129 HG22 VAL 16 HG22 VAL 16 11.154 -4.453 3.510
130 HG23 VAL 16 HG23 VAL 16 9.796 -3.328 3.479
131 H GLY 17 HN GLY 17 12.170 -6.332 -0.233
132 HA2 GLY 17 HA2 GLY 17 11.343 -5.203 -2.755
133 HA3 GLY 17 HA1 GLY 17 13.071 -5.573 -2.721
134 H ARG 18 HN ARG 18 9.967 -6.862 -3.158
135 HA ARG 18 HA ARG 18 11.166 -9.453 -3.612
136 HB2 ARG 18 HB2 ARG 18 10.025 -10.605 -1.825
137 HB3 ARG 18 HB1 ARG 18 10.877 -9.210 -1.144
138 HG2 ARG 18 HG2 ARG 18 8.005 -8.929 -2.016
139 HG3 ARG 18 HG1 ARG 18 8.382 -9.646 -0.453
140 HD2 ARG 18 HD2 ARG 18 9.074 -6.862 -1.428
141 HD3 ARG 18 HD1 ARG 18 8.132 -7.321 0.004
142 HE ARG 18 HE ARG 18 11.075 -7.598 -0.275
143 HH11 ARG 18 HH11 ARG 18 8.673 -6.644 1.783
144 HH12 ARG 18 HH12 ARG 18 9.238 -7.517 3.168
145 HH21 ARG 18 HH21 ARG 18 11.599 -9.333 1.392
146 HH22 ARG 18 HH22 ARG 18 10.895 -9.040 2.947
Start of MODEL 15
1 H1 ARG 1 HT1 ARG 1 13.133 -9.625 -10.561
2 H2 ARG 1 HT2 ARG 1 12.494 -8.145 -11.097
3 H3 ARG 1 HT3 ARG 1 11.746 -9.604 -11.537
4 HA ARG 1 HA ARG 1 11.057 -10.017 -9.285
5 HB2 ARG 1 HB2 ARG 1 13.347 -8.595 -8.769
6 HB3 ARG 1 HB1 ARG 1 12.103 -7.423 -8.330
7 HG2 ARG 1 HG2 ARG 1 11.170 -8.843 -6.694
8 HG3 ARG 1 HG1 ARG 1 11.952 -10.275 -7.363
9 HD2 ARG 1 HD2 ARG 1 13.818 -8.137 -6.515
10 HD3 ARG 1 HD1 ARG 1 12.920 -8.921 -5.200
11 HE ARG 1 HE ARG 1 13.655 -11.108 -6.518
12 HH11 ARG 1 HH11 ARG 1 15.682 -11.268 -7.958
13 HH12 ARG 1 HH12 ARG 1 17.116 -10.690 -7.178
14 HH21 ARG 1 HH21 ARG 1 15.398 -9.033 -4.663
15 HH22 ARG 1 HH22 ARG 1 16.955 -9.424 -5.312
16 H GLY 2 HN GLY 2 9.994 -7.746 -7.865
17 HA2 GLY 2 HA2 GLY 2 8.346 -6.431 -9.987
18 HA3 GLY 2 HA1 GLY 2 7.604 -7.094 -8.532
19 H GLY 3 HN GLY 3 10.603 -5.848 -7.700
20 HA2 GLY 3 HA2 GLY 3 10.459 -3.096 -7.605
21 HA3 GLY 3 HA1 GLY 3 9.384 -3.596 -6.300
22 H ARG 4 HN ARG 4 12.286 -2.418 -6.648
23 HA ARG 4 HA ARG 4 13.327 -4.111 -4.460
24 HB2 ARG 4 HB2 ARG 4 14.916 -2.824 -6.702
25 HB3 ARG 4 HB1 ARG 4 15.572 -3.831 -5.420
26 HG2 ARG 4 HG2 ARG 4 15.370 -5.358 -7.181
27 HG3 ARG 4 HG1 ARG 4 13.885 -5.626 -6.273
28 HD2 ARG 4 HD2 ARG 4 13.894 -5.235 -8.948
29 HD3 ARG 4 HD1 ARG 4 12.551 -4.700 -7.929
30 HE ARG 4 HE ARG 4 13.463 -2.438 -7.986
31 HH11 ARG 4 HH11 ARG 4 13.344 -2.480 -10.786
32 HH12 ARG 4 HH12 ARG 4 14.980 -2.328 -11.335
33 HH21 ARG 4 HH21 ARG 4 16.367 -3.237 -8.290
34 HH22 ARG 4 HH22 ARG 4 16.691 -2.757 -9.923
35 H LEU 5 HN LEU 5 12.951 -2.705 -2.803
36 HA LEU 5 HA LEU 5 13.853 0.117 -3.133
37 HB2 LEU 5 HB2 LEU 5 11.777 -1.126 -1.291
38 HB3 LEU 5 HB1 LEU 5 12.140 0.592 -1.410
39 HG LEU 5 HG LEU 5 10.216 0.287 -2.765
40 HD11 LEU 5 HD11 LEU 5 10.945 1.171 -4.760
41 HD12 LEU 5 HD12 LEU 5 12.218 -0.035 -4.948
42 HD13 LEU 5 HD13 LEU 5 12.442 1.316 -3.837
43 HD21 LEU 5 HD21 LEU 5 11.251 -1.765 -4.594
44 HD22 LEU 5 HD22 LEU 5 9.671 -1.644 -3.821
45 HD23 LEU 5 HD23 LEU 5 11.029 -2.348 -2.944
46 H CYS 6 HN CYS 6 15.803 0.245 -2.247
47 HA CYS 6 HA CYS 6 16.203 -0.686 0.550
48 HB2 CYS 6 HB2 CYS 6 17.256 -1.932 -1.854
49 HB3 CYS 6 HB1 CYS 6 18.575 -1.350 -0.838
50 H TYR 7 HN TYR 7 16.951 0.971 1.623
51 HA TYR 7 HA TYR 7 19.203 2.574 0.743
52 HB2 TYR 7 HB2 TYR 7 17.457 4.623 1.017
53 HB3 TYR 7 HB1 TYR 7 17.740 3.858 -0.540
54 HD1 TYR 7 HD1 TYR 7 16.091 3.001 -1.666
55 HD2 TYR 7 HD2 TYR 7 15.781 3.496 2.548
56 HE1 TYR 7 HE1 TYR 7 13.765 2.244 -1.798
57 HE2 TYR 7 HE2 TYR 7 13.445 2.750 2.481
58 HH TYR 7 HH TYR 7 12.053 1.138 0.681
59 H CYS 8 HN CYS 8 19.708 4.064 2.399
60 HA CYS 8 HA CYS 8 18.272 3.833 4.972
61 HB2 CYS 8 HB2 CYS 8 19.942 1.965 4.541
62 HB3 CYS 8 HB1 CYS 8 21.192 3.195 4.729
63 H ARG 9 HN ARG 9 18.084 5.804 5.640
64 HA ARG 9 HA ARG 9 20.297 7.790 5.423
65 HB2 ARG 9 HB2 ARG 9 17.365 7.867 4.794
66 HB3 ARG 9 HB1 ARG 9 18.172 9.353 5.295
67 HG2 ARG 9 HG2 ARG 9 18.425 9.392 2.969
68 HG3 ARG 9 HG1 ARG 9 19.950 8.702 3.516
69 HD2 ARG 9 HD2 ARG 9 18.151 6.525 3.228
70 HD3 ARG 9 HD1 ARG 9 17.995 7.520 1.767
71 HE ARG 9 HE ARG 9 20.650 6.604 2.814
72 HH11 ARG 9 HH11 ARG 9 18.375 6.219 0.356
73 HH12 ARG 9 HH12 ARG 9 19.506 6.370 -0.946
74 HH21 ARG 9 HH21 ARG 9 22.149 7.291 1.100
75 HH22 ARG 9 HH22 ARG 9 21.641 6.976 -0.526
76 HA PRO 10 HA PRO 10 19.862 7.866 9.829
77 HB2 PRO 10 HB2 PRO 10 20.669 10.477 10.280
78 HB3 PRO 10 HB1 PRO 10 21.782 9.119 10.004
79 HG2 PRO 10 HG2 PRO 10 20.719 11.112 8.032
80 HG3 PRO 10 HG1 PRO 10 22.389 10.561 8.276
81 HD2 PRO 10 HD2 PRO 10 20.966 9.535 6.297
82 HD3 PRO 10 HD1 PRO 10 21.966 8.455 7.300
83 H ARG 11 HN ARG 11 18.104 9.816 7.625
84 HA ARG 11 HA ARG 11 16.326 11.043 9.606
85 HB2 ARG 11 HB2 ARG 11 16.494 10.906 6.608
86 HB3 ARG 11 HB1 ARG 11 15.150 11.697 7.431
87 HG2 ARG 11 HG2 ARG 11 16.476 13.542 7.373
88 HG3 ARG 11 HG1 ARG 11 17.302 12.786 8.736
89 HD2 ARG 11 HD2 ARG 11 18.657 11.537 6.832
90 HD3 ARG 11 HD1 ARG 11 18.149 12.932 5.860
91 HE ARG 11 HE ARG 11 19.283 13.512 8.534
92 HH11 ARG 11 HH11 ARG 11 18.906 15.186 5.876
93 HH12 ARG 11 HH12 ARG 11 20.572 15.457 5.485
94 HH21 ARG 11 HH21 ARG 11 21.755 13.076 7.710
95 HH22 ARG 11 HH22 ARG 11 22.185 14.263 6.525
96 H PHE 12 HN PHE 12 16.501 8.282 7.572
97 HA PHE 12 HA PHE 12 14.331 6.833 8.872
98 HB2 PHE 12 HB2 PHE 12 12.949 6.820 6.754
99 HB3 PHE 12 HB1 PHE 12 13.063 8.440 7.467
100 HD1 PHE 12 HD1 PHE 12 14.437 10.130 6.521
101 HD2 PHE 12 HD2 PHE 12 14.346 6.209 4.808
102 HE1 PHE 12 HE1 PHE 12 15.640 10.992 4.544
103 HE2 PHE 12 HE2 PHE 12 15.533 7.056 2.809
104 HZ PHE 12 HZ PHE 12 16.184 9.453 2.661
105 H CYS 13 HN CYS 13 14.334 4.565 7.812
106 HA CYS 13 HA CYS 13 16.046 4.209 5.533
107 HB2 CYS 13 HB2 CYS 13 17.881 4.640 6.865
108 HB3 CYS 13 HB1 CYS 13 17.095 4.060 8.324
109 H VAL 14 HN VAL 14 15.466 2.270 4.628
110 HA VAL 14 HA VAL 14 14.769 -0.076 6.227
111 HB VAL 14 HB VAL 14 12.807 1.850 5.146
112 HG11 VAL 14 HG11 VAL 14 12.320 0.114 3.566
113 HG12 VAL 14 HG12 VAL 14 11.114 -0.030 4.845
114 HG13 VAL 14 HG13 VAL 14 12.486 -1.137 4.798
115 HG21 VAL 14 HG21 VAL 14 12.590 1.672 7.421
116 HG22 VAL 14 HG22 VAL 14 13.159 0.003 7.446
117 HG23 VAL 14 HG23 VAL 14 11.501 0.361 6.966
118 H CYS 15 HN CYS 15 14.458 -1.943 4.887
119 HA CYS 15 HA CYS 15 15.183 -1.599 1.999
120 HB2 CYS 15 HB2 CYS 15 16.640 -2.813 4.190
121 HB3 CYS 15 HB1 CYS 15 16.277 -4.027 2.965
122 H VAL 16 HN VAL 16 13.772 -2.672 0.689
123 HA VAL 16 HA VAL 16 12.602 -5.240 1.365
124 HB VAL 16 HB VAL 16 11.393 -2.959 2.421
125 HG11 VAL 16 HG11 VAL 16 9.263 -2.755 1.192
126 HG12 VAL 16 HG12 VAL 16 9.861 -3.877 -0.027
127 HG13 VAL 16 HG13 VAL 16 10.630 -2.305 0.171
128 HG21 VAL 16 HG21 VAL 16 10.833 -4.964 3.437
129 HG22 VAL 16 HG22 VAL 16 10.565 -5.789 1.901
130 HG23 VAL 16 HG23 VAL 16 9.358 -4.663 2.520
131 H GLY 17 HN GLY 17 12.221 -6.280 -0.475
132 HA2 GLY 17 HA2 GLY 17 11.172 -5.056 -2.834
133 HA3 GLY 17 HA1 GLY 17 12.918 -5.275 -2.983
134 H ARG 18 HN ARG 18 9.915 -6.815 -3.327
135 HA ARG 18 HA ARG 18 11.306 -9.231 -4.067
136 HB2 ARG 18 HB2 ARG 18 10.740 -10.578 -2.235
137 HB3 ARG 18 HB1 ARG 18 11.114 -9.028 -1.485
138 HG2 ARG 18 HG2 ARG 18 8.401 -10.259 -1.991
139 HG3 ARG 18 HG1 ARG 18 9.098 -9.737 -0.462
140 HD2 ARG 18 HD2 ARG 18 8.223 -7.908 -2.732
141 HD3 ARG 18 HD1 ARG 18 7.419 -8.106 -1.168
142 HE ARG 18 HE ARG 18 10.241 -7.421 -0.913
143 HH11 ARG 18 HH11 ARG 18 8.649 -6.443 1.196
144 HH12 ARG 18 HH12 ARG 18 8.242 -4.817 0.756
145 HH21 ARG 18 HH21 ARG 18 9.003 -5.251 -2.598
146 HH22 ARG 18 HH22 ARG 18 8.442 -4.142 -1.391
Start of MODEL 16
1 H1 ARG 1 HT1 ARG 1 11.040 -11.163 -9.704
2 H2 ARG 1 HT2 ARG 1 12.597 -10.772 -10.262
3 H3 ARG 1 HT3 ARG 1 11.226 -10.201 -11.088
4 HA ARG 1 HA ARG 1 11.659 -9.472 -8.259
5 HB2 ARG 1 HB2 ARG 1 13.026 -7.605 -9.014
6 HB3 ARG 1 HB1 ARG 1 13.738 -9.099 -9.622
7 HG2 ARG 1 HG2 ARG 1 12.205 -8.622 -11.717
8 HG3 ARG 1 HG1 ARG 1 12.255 -6.964 -11.117
9 HD2 ARG 1 HD2 ARG 1 14.092 -7.337 -12.718
10 HD3 ARG 1 HD1 ARG 1 14.757 -7.095 -11.091
11 HE ARG 1 HE ARG 1 14.258 -9.856 -11.327
12 HH11 ARG 1 HH11 ARG 1 15.275 -8.743 -14.128
13 HH12 ARG 1 HH12 ARG 1 16.930 -9.245 -14.027
14 HH21 ARG 1 HH21 ARG 1 16.788 -9.943 -10.633
15 HH22 ARG 1 HH22 ARG 1 17.787 -9.923 -12.047
16 H GLY 2 HN GLY 2 11.340 -6.654 -9.351
17 HA2 GLY 2 HA2 GLY 2 9.315 -5.851 -10.834
18 HA3 GLY 2 HA1 GLY 2 8.383 -6.772 -9.650
19 H GLY 3 HN GLY 3 10.215 -6.057 -7.439
20 HA2 GLY 3 HA2 GLY 3 9.944 -3.117 -7.227
21 HA3 GLY 3 HA1 GLY 3 9.031 -4.083 -6.067
22 H ARG 4 HN ARG 4 11.910 -2.514 -6.563
23 HA ARG 4 HA ARG 4 13.102 -4.136 -4.398
24 HB2 ARG 4 HB2 ARG 4 14.549 -2.806 -6.709
25 HB3 ARG 4 HB1 ARG 4 15.293 -3.779 -5.448
26 HG2 ARG 4 HG2 ARG 4 15.084 -5.313 -7.207
27 HG3 ARG 4 HG1 ARG 4 13.666 -5.651 -6.221
28 HD2 ARG 4 HD2 ARG 4 13.505 -5.290 -8.890
29 HD3 ARG 4 HD1 ARG 4 12.199 -4.797 -7.807
30 HE ARG 4 HE ARG 4 13.098 -2.495 -7.885
31 HH11 ARG 4 HH11 ARG 4 13.166 -4.304 -10.655
32 HH12 ARG 4 HH12 ARG 4 14.354 -3.356 -11.485
33 HH21 ARG 4 HH21 ARG 4 15.189 -1.473 -8.696
34 HH22 ARG 4 HH22 ARG 4 15.499 -1.753 -10.376
35 H LEU 5 HN LEU 5 12.743 -2.735 -2.732
36 HA LEU 5 HA LEU 5 13.548 0.110 -3.110
37 HB2 LEU 5 HB2 LEU 5 11.583 -1.164 -1.170
38 HB3 LEU 5 HB1 LEU 5 11.893 0.561 -1.330
39 HG LEU 5 HG LEU 5 9.917 0.174 -2.592
40 HD11 LEU 5 HD11 LEU 5 11.817 -0.103 -4.866
41 HD12 LEU 5 HD12 LEU 5 12.075 1.252 -3.767
42 HD13 LEU 5 HD13 LEU 5 10.535 1.080 -4.609
43 HD21 LEU 5 HD21 LEU 5 10.808 -2.435 -2.789
44 HD22 LEU 5 HD22 LEU 5 10.940 -1.858 -4.450
45 HD23 LEU 5 HD23 LEU 5 9.392 -1.782 -3.611
46 H CYS 6 HN CYS 6 15.530 0.283 -2.311
47 HA CYS 6 HA CYS 6 16.088 -0.667 0.455
48 HB2 CYS 6 HB2 CYS 6 17.038 -1.856 -2.010
49 HB3 CYS 6 HB1 CYS 6 18.404 -1.218 -1.096
50 H TYR 7 HN TYR 7 16.832 1.005 1.518
51 HA TYR 7 HA TYR 7 19.000 2.674 0.552
52 HB2 TYR 7 HB2 TYR 7 17.221 4.677 0.934
53 HB3 TYR 7 HB1 TYR 7 17.450 3.935 -0.644
54 HD1 TYR 7 HD1 TYR 7 15.642 3.509 2.525
55 HD2 TYR 7 HD2 TYR 7 15.781 3.030 -1.702
56 HE1 TYR 7 HE1 TYR 7 13.327 2.695 2.558
57 HE2 TYR 7 HE2 TYR 7 13.470 2.218 -1.734
58 HH TYR 7 HH TYR 7 11.416 2.429 1.090
59 H CYS 8 HN CYS 8 19.562 4.142 2.197
60 HA CYS 8 HA CYS 8 18.271 3.832 4.841
61 HB2 CYS 8 HB2 CYS 8 19.973 2.036 4.297
62 HB3 CYS 8 HB1 CYS 8 21.190 3.305 4.404
63 H ARG 9 HN ARG 9 18.049 5.782 5.559
64 HA ARG 9 HA ARG 9 20.160 7.865 5.226
65 HB2 ARG 9 HB2 ARG 9 17.184 7.827 4.847
66 HB3 ARG 9 HB1 ARG 9 17.973 9.336 5.305
67 HG2 ARG 9 HG2 ARG 9 18.008 9.416 2.963
68 HG3 ARG 9 HG1 ARG 9 19.610 8.802 3.366
69 HD2 ARG 9 HD2 ARG 9 17.912 6.533 3.197
70 HD3 ARG 9 HD1 ARG 9 17.573 7.537 1.774
71 HE ARG 9 HE ARG 9 20.348 6.723 2.565
72 HH11 ARG 9 HH11 ARG 9 19.310 5.034 0.455
73 HH12 ARG 9 HH12 ARG 9 19.707 5.885 -1.000
74 HH21 ARG 9 HH21 ARG 9 20.262 8.908 0.605
75 HH22 ARG 9 HH22 ARG 9 20.246 8.077 -0.915
76 HA PRO 10 HA PRO 10 20.055 7.838 9.655
77 HB2 PRO 10 HB2 PRO 10 20.819 10.462 10.100
78 HB3 PRO 10 HB1 PRO 10 21.948 9.146 9.712
79 HG2 PRO 10 HG2 PRO 10 20.684 11.144 7.869
80 HG3 PRO 10 HG1 PRO 10 22.382 10.638 7.976
81 HD2 PRO 10 HD2 PRO 10 20.835 9.614 6.087
82 HD3 PRO 10 HD1 PRO 10 21.947 8.546 6.977
83 H ARG 11 HN ARG 11 18.126 9.813 7.613
84 HA ARG 11 HA ARG 11 16.432 10.921 9.726
85 HB2 ARG 11 HB2 ARG 11 16.230 10.842 6.722
86 HB3 ARG 11 HB1 ARG 11 15.202 11.814 7.773
87 HG2 ARG 11 HG2 ARG 11 18.223 12.042 7.609
88 HG3 ARG 11 HG1 ARG 11 17.089 13.125 6.803
89 HD2 ARG 11 HD2 ARG 11 17.134 12.673 9.808
90 HD3 ARG 11 HD1 ARG 11 17.923 14.037 8.994
91 HE ARG 11 HE ARG 11 14.977 13.514 8.923
92 HH11 ARG 11 HH11 ARG 11 16.825 15.188 6.899
93 HH12 ARG 11 HH12 ARG 11 16.328 16.779 7.368
94 HH21 ARG 11 HH21 ARG 11 14.724 15.719 10.253
95 HH22 ARG 11 HH22 ARG 11 15.139 17.081 9.267
96 H PHE 12 HN PHE 12 16.570 8.209 7.637
97 HA PHE 12 HA PHE 12 14.501 6.694 9.013
98 HB2 PHE 12 HB2 PHE 12 12.997 6.680 6.984
99 HB3 PHE 12 HB1 PHE 12 13.122 8.295 7.705
100 HD1 PHE 12 HD1 PHE 12 14.280 6.116 4.950
101 HD2 PHE 12 HD2 PHE 12 14.405 10.020 6.700
102 HE1 PHE 12 HE1 PHE 12 15.334 7.004 2.896
103 HE2 PHE 12 HE2 PHE 12 15.447 10.929 4.656
104 HZ PHE 12 HZ PHE 12 15.913 9.418 2.727
105 H CYS 13 HN CYS 13 14.516 4.437 7.937
106 HA CYS 13 HA CYS 13 16.100 4.158 5.554
107 HB2 CYS 13 HB2 CYS 13 17.999 4.633 6.779
108 HB3 CYS 13 HB1 CYS 13 17.318 4.019 8.275
109 H VAL 14 HN VAL 14 15.504 2.224 4.656
110 HA VAL 14 HA VAL 14 15.013 -0.174 6.253
111 HB VAL 14 HB VAL 14 12.902 1.691 5.343
112 HG11 VAL 14 HG11 VAL 14 12.619 -1.315 5.088
113 HG12 VAL 14 HG12 VAL 14 12.419 -0.120 3.807
114 HG13 VAL 14 HG13 VAL 14 11.252 -0.200 5.128
115 HG21 VAL 14 HG21 VAL 14 12.744 1.529 7.602
116 HG22 VAL 14 HG22 VAL 14 13.586 -0.020 7.641
117 HG23 VAL 14 HG23 VAL 14 11.862 0.038 7.270
118 H CYS 15 HN CYS 15 14.650 -2.026 4.897
119 HA CYS 15 HA CYS 15 15.147 -1.600 1.972
120 HB2 CYS 15 HB2 CYS 15 16.774 -2.852 4.027
121 HB3 CYS 15 HB1 CYS 15 16.375 -4.007 2.758
122 H VAL 16 HN VAL 16 13.455 -2.481 0.899
123 HA VAL 16 HA VAL 16 12.465 -5.175 1.572
124 HB VAL 16 HB VAL 16 10.322 -3.138 1.240
125 HG11 VAL 16 HG11 VAL 16 9.921 -5.567 1.597
126 HG12 VAL 16 HG12 VAL 16 9.189 -4.572 2.856
127 HG13 VAL 16 HG13 VAL 16 10.692 -5.438 3.179
128 HG21 VAL 16 HG21 VAL 16 11.841 -1.961 2.810
129 HG22 VAL 16 HG22 VAL 16 11.857 -3.383 3.851
130 HG23 VAL 16 HG23 VAL 16 10.362 -2.480 3.617
131 H GLY 17 HN GLY 17 12.339 -6.202 -0.321
132 HA2 GLY 17 HA2 GLY 17 10.970 -5.027 -2.564
133 HA3 GLY 17 HA1 GLY 17 12.717 -5.098 -2.818
134 H ARG 18 HN ARG 18 9.816 -6.872 -2.865
135 HA ARG 18 HA ARG 18 11.374 -9.209 -3.680
136 HB2 ARG 18 HB2 ARG 18 10.430 -10.597 -1.917
137 HB3 ARG 18 HB1 ARG 18 11.164 -9.151 -1.195
138 HG2 ARG 18 HG2 ARG 18 8.527 -8.396 -1.819
139 HG3 ARG 18 HG1 ARG 18 8.384 -10.017 -1.143
140 HD2 ARG 18 HD2 ARG 18 8.379 -7.937 0.472
141 HD3 ARG 18 HD1 ARG 18 9.324 -9.370 0.919
142 HE ARG 18 HE ARG 18 10.566 -7.070 -0.537
143 HH11 ARG 18 HH11 ARG 18 12.794 -8.410 -0.419
144 HH12 ARG 18 HH12 ARG 18 13.354 -8.509 1.216
145 HH21 ARG 18 HH21 ARG 18 10.295 -7.647 2.601
146 HH22 ARG 18 HH22 ARG 18 11.941 -8.077 2.924
Start of MODEL 17
1 H1 ARG 1 HT1 ARG 1 14.119 -4.575 -12.658
2 H2 ARG 1 HT2 ARG 1 13.017 -3.611 -11.798
3 H3 ARG 1 HT3 ARG 1 12.567 -4.297 -13.284
4 HA ARG 1 HA ARG 1 12.741 -6.530 -12.316
5 HB2 ARG 1 HB2 ARG 1 14.296 -5.060 -10.499
6 HB3 ARG 1 HB1 ARG 1 12.877 -5.547 -9.571
7 HG2 ARG 1 HG2 ARG 1 13.234 -7.863 -10.059
8 HG3 ARG 1 HG1 ARG 1 14.447 -7.485 -11.282
9 HD2 ARG 1 HD2 ARG 1 14.813 -6.662 -8.394
10 HD3 ARG 1 HD1 ARG 1 15.351 -8.243 -8.997
11 HE ARG 1 HE ARG 1 16.192 -5.762 -10.428
12 HH11 ARG 1 HH11 ARG 1 17.696 -7.479 -11.743
13 HH12 ARG 1 HH12 ARG 1 19.024 -7.970 -10.745
14 HH21 ARG 1 HH21 ARG 1 17.553 -6.887 -7.798
15 HH22 ARG 1 HH22 ARG 1 18.943 -7.635 -8.511
16 H GLY 2 HN GLY 2 11.271 -6.844 -9.892
17 HA2 GLY 2 HA2 GLY 2 8.652 -5.777 -10.768
18 HA3 GLY 2 HA1 GLY 2 8.901 -7.034 -9.554
19 H GLY 3 HN GLY 3 10.324 -6.099 -7.615
20 HA2 GLY 3 HA2 GLY 3 9.696 -3.296 -6.960
21 HA3 GLY 3 HA1 GLY 3 8.907 -4.505 -5.945
22 H ARG 4 HN ARG 4 11.520 -2.558 -6.095
23 HA ARG 4 HA ARG 4 12.822 -4.233 -4.124
24 HB2 ARG 4 HB2 ARG 4 15.064 -3.679 -5.231
25 HB3 ARG 4 HB1 ARG 4 14.066 -4.898 -6.017
26 HG2 ARG 4 HG2 ARG 4 13.891 -1.995 -6.811
27 HG3 ARG 4 HG1 ARG 4 15.114 -3.059 -7.503
28 HD2 ARG 4 HD2 ARG 4 13.587 -3.861 -8.944
29 HD3 ARG 4 HD1 ARG 4 12.586 -4.414 -7.588
30 HE ARG 4 HE ARG 4 11.924 -1.865 -7.500
31 HH11 ARG 4 HH11 ARG 4 9.791 -2.641 -8.901
32 HH12 ARG 4 HH12 ARG 4 10.018 -2.198 -10.560
33 HH21 ARG 4 HH21 ARG 4 13.441 -1.746 -10.245
34 HH22 ARG 4 HH22 ARG 4 12.084 -1.689 -11.319
35 H LEU 5 HN LEU 5 12.556 -2.844 -2.470
36 HA LEU 5 HA LEU 5 13.459 -0.043 -2.893
37 HB2 LEU 5 HB2 LEU 5 11.525 -1.206 -0.854
38 HB3 LEU 5 HB1 LEU 5 11.895 0.502 -1.058
39 HG LEU 5 HG LEU 5 9.864 0.204 -2.221
40 HD11 LEU 5 HD11 LEU 5 11.624 -0.276 -4.577
41 HD12 LEU 5 HD12 LEU 5 11.999 1.112 -3.555
42 HD13 LEU 5 HD13 LEU 5 10.413 0.979 -4.314
43 HD21 LEU 5 HD21 LEU 5 10.472 -2.438 -2.281
44 HD22 LEU 5 HD22 LEU 5 10.748 -2.016 -3.970
45 HD23 LEU 5 HD23 LEU 5 9.174 -1.720 -3.232
46 H CYS 6 HN CYS 6 15.456 0.115 -2.119
47 HA CYS 6 HA CYS 6 16.046 -0.814 0.641
48 HB2 CYS 6 HB2 CYS 6 16.918 -2.088 -1.811
49 HB3 CYS 6 HB1 CYS 6 18.316 -1.471 -0.932
50 H TYR 7 HN TYR 7 16.838 0.868 1.649
51 HA TYR 7 HA TYR 7 19.041 2.458 0.627
52 HB2 TYR 7 HB2 TYR 7 17.325 4.515 0.935
53 HB3 TYR 7 HB1 TYR 7 17.493 3.695 -0.612
54 HD1 TYR 7 HD1 TYR 7 15.776 2.778 -1.584
55 HD2 TYR 7 HD2 TYR 7 15.743 3.487 2.612
56 HE1 TYR 7 HE1 TYR 7 13.450 2.018 -1.524
57 HE2 TYR 7 HE2 TYR 7 13.409 2.742 2.736
58 HH TYR 7 HH TYR 7 11.357 2.673 0.675
59 H CYS 8 HN CYS 8 19.625 3.979 2.227
60 HA CYS 8 HA CYS 8 18.320 3.787 4.874
61 HB2 CYS 8 HB2 CYS 8 20.020 1.955 4.401
62 HB3 CYS 8 HB1 CYS 8 21.240 3.224 4.498
63 H ARG 9 HN ARG 9 18.109 5.767 5.495
64 HA ARG 9 HA ARG 9 20.251 7.807 5.108
65 HB2 ARG 9 HB2 ARG 9 17.276 7.814 4.666
66 HB3 ARG 9 HB1 ARG 9 18.114 9.325 5.016
67 HG2 ARG 9 HG2 ARG 9 18.178 9.220 2.674
68 HG3 ARG 9 HG1 ARG 9 19.753 8.586 3.145
69 HD2 ARG 9 HD2 ARG 9 17.964 6.374 3.127
70 HD3 ARG 9 HD1 ARG 9 17.700 7.272 1.620
71 HE ARG 9 HE ARG 9 20.478 6.615 2.514
72 HH11 ARG 9 HH11 ARG 9 21.039 4.724 1.100
73 HH12 ARG 9 HH12 ARG 9 20.648 4.928 -0.575
74 HH21 ARG 9 HH21 ARG 9 18.632 7.698 -0.045
75 HH22 ARG 9 HH22 ARG 9 19.287 6.611 -1.222
76 HA PRO 10 HA PRO 10 20.035 8.007 9.526
77 HB2 PRO 10 HB2 PRO 10 20.774 10.657 9.859
78 HB3 PRO 10 HB1 PRO 10 21.919 9.327 9.569
79 HG2 PRO 10 HG2 PRO 10 20.694 11.218 7.590
80 HG3 PRO 10 HG1 PRO 10 22.393 10.733 7.771
81 HD2 PRO 10 HD2 PRO 10 20.917 9.594 5.896
82 HD3 PRO 10 HD1 PRO 10 21.996 8.580 6.886
83 H ARG 11 HN ARG 11 18.184 9.940 7.351
84 HA ARG 11 HA ARG 11 16.418 11.131 9.341
85 HB2 ARG 11 HB2 ARG 11 16.275 10.818 6.348
86 HB3 ARG 11 HB1 ARG 11 15.218 11.858 7.301
87 HG2 ARG 11 HG2 ARG 11 18.237 12.101 7.115
88 HG3 ARG 11 HG1 ARG 11 17.074 13.146 6.300
89 HD2 ARG 11 HD2 ARG 11 16.261 14.016 8.394
90 HD3 ARG 11 HD1 ARG 11 17.166 12.798 9.314
91 HE ARG 11 HE ARG 11 19.256 13.867 8.508
92 HH11 ARG 11 HH11 ARG 11 17.490 15.370 6.359
93 HH12 ARG 11 HH12 ARG 11 17.686 16.994 6.930
94 HH21 ARG 11 HH21 ARG 11 18.999 16.038 9.995
95 HH22 ARG 11 HH22 ARG 11 18.540 17.372 8.989
96 H PHE 12 HN PHE 12 16.590 8.293 7.408
97 HA PHE 12 HA PHE 12 14.528 6.841 8.866
98 HB2 PHE 12 HB2 PHE 12 13.027 6.713 6.837
99 HB3 PHE 12 HB1 PHE 12 13.142 8.363 7.476
100 HD1 PHE 12 HD1 PHE 12 14.386 10.049 6.375
101 HD2 PHE 12 HD2 PHE 12 14.357 6.050 4.851
102 HE1 PHE 12 HE1 PHE 12 15.443 10.859 4.297
103 HE2 PHE 12 HE2 PHE 12 15.402 6.842 2.754
104 HZ PHE 12 HZ PHE 12 15.948 9.253 2.459
105 H CYS 13 HN CYS 13 14.518 4.538 7.885
106 HA CYS 13 HA CYS 13 16.124 4.136 5.534
107 HB2 CYS 13 HB2 CYS 13 18.008 4.645 6.769
108 HB3 CYS 13 HB1 CYS 13 17.306 4.080 8.276
109 H VAL 14 HN VAL 14 15.509 2.180 4.710
110 HA VAL 14 HA VAL 14 14.950 -0.145 6.393
111 HB VAL 14 HB VAL 14 12.891 1.723 5.383
112 HG11 VAL 14 HG11 VAL 14 12.325 -0.064 3.897
113 HG12 VAL 14 HG12 VAL 14 11.221 -0.207 5.264
114 HG13 VAL 14 HG13 VAL 14 12.617 -1.278 5.143
115 HG21 VAL 14 HG21 VAL 14 12.830 1.618 7.673
116 HG22 VAL 14 HG22 VAL 14 13.415 -0.045 7.715
117 HG23 VAL 14 HG23 VAL 14 11.726 0.286 7.330
118 H CYS 15 HN CYS 15 14.588 -2.044 5.096
119 HA CYS 15 HA CYS 15 15.124 -1.722 2.165
120 HB2 CYS 15 HB2 CYS 15 16.747 -2.875 4.265
121 HB3 CYS 15 HB1 CYS 15 16.333 -4.108 3.075
122 H VAL 16 HN VAL 16 13.477 -2.641 1.089
123 HA VAL 16 HA VAL 16 12.460 -5.311 1.785
124 HB VAL 16 HB VAL 16 10.775 -2.783 1.863
125 HG11 VAL 16 HG11 VAL 16 9.630 -4.683 0.704
126 HG12 VAL 16 HG12 VAL 16 8.850 -4.236 2.222
127 HG13 VAL 16 HG13 VAL 16 9.879 -5.666 2.147
128 HG21 VAL 16 HG21 VAL 16 11.626 -4.821 3.922
129 HG22 VAL 16 HG22 VAL 16 10.212 -3.797 4.169
130 HG23 VAL 16 HG23 VAL 16 11.808 -3.069 3.979
131 H GLY 17 HN GLY 17 12.288 -6.348 -0.109
132 HA2 GLY 17 HA2 GLY 17 10.974 -5.143 -2.368
133 HA3 GLY 17 HA1 GLY 17 12.720 -5.239 -2.603
134 H ARG 18 HN ARG 18 9.794 -6.962 -2.711
135 HA ARG 18 HA ARG 18 11.196 -9.237 -3.762
136 HB2 ARG 18 HB2 ARG 18 10.998 -10.714 -1.947
137 HB3 ARG 18 HB1 ARG 18 11.378 -9.178 -1.163
138 HG2 ARG 18 HG2 ARG 18 8.619 -10.394 -1.488
139 HG3 ARG 18 HG1 ARG 18 9.534 -10.246 0.011
140 HD2 ARG 18 HD2 ARG 18 8.458 -7.960 -1.677
141 HD3 ARG 18 HD1 ARG 18 7.927 -8.426 -0.050
142 HE ARG 18 HE ARG 18 10.228 -6.824 -0.604
143 HH11 ARG 18 HH11 ARG 18 8.622 -7.734 1.992
144 HH12 ARG 18 HH12 ARG 18 9.963 -8.231 2.969
145 HH21 ARG 18 HH21 ARG 18 12.223 -8.237 0.341
146 HH22 ARG 18 HH22 ARG 18 11.999 -8.513 2.035
Start of MODEL 18
1 H1 ARG 1 HT1 ARG 1 12.485 -7.262 -11.752
2 H2 ARG 1 HT2 ARG 1 11.558 -8.502 -12.452
3 H3 ARG 1 HT3 ARG 1 13.078 -8.851 -11.778
4 HA ARG 1 HA ARG 1 11.362 -9.579 -10.258
5 HB2 ARG 1 HB2 ARG 1 13.472 -7.675 -9.825
6 HB3 ARG 1 HB1 ARG 1 12.173 -7.341 -8.679
7 HG2 ARG 1 HG2 ARG 1 12.252 -10.042 -8.503
8 HG3 ARG 1 HG1 ARG 1 13.940 -9.717 -8.895
9 HD2 ARG 1 HD2 ARG 1 14.348 -8.893 -6.820
10 HD3 ARG 1 HD1 ARG 1 12.904 -7.860 -6.878
11 HE ARG 1 HE ARG 1 11.587 -9.977 -6.352
12 HH11 ARG 1 HH11 ARG 1 13.227 -8.967 -3.992
13 HH12 ARG 1 HH12 ARG 1 13.950 -10.438 -3.430
14 HH21 ARG 1 HH21 ARG 1 13.252 -12.199 -6.334
15 HH22 ARG 1 HH22 ARG 1 13.964 -12.267 -4.757
16 H GLY 2 HN GLY 2 10.305 -7.855 -8.259
17 HA2 GLY 2 HA2 GLY 2 8.088 -6.571 -9.795
18 HA3 GLY 2 HA1 GLY 2 7.923 -7.225 -8.166
19 H GLY 3 HN GLY 3 10.567 -6.026 -7.380
20 HA2 GLY 3 HA2 GLY 3 10.716 -3.249 -7.693
21 HA3 GLY 3 HA1 GLY 3 9.559 -3.511 -6.389
22 H ARG 4 HN ARG 4 12.500 -2.551 -6.653
23 HA ARG 4 HA ARG 4 13.398 -4.211 -4.374
24 HB2 ARG 4 HB2 ARG 4 15.146 -2.899 -6.479
25 HB3 ARG 4 HB1 ARG 4 15.674 -4.000 -5.216
26 HG2 ARG 4 HG2 ARG 4 15.544 -5.394 -7.103
27 HG3 ARG 4 HG1 ARG 4 14.023 -5.695 -6.272
28 HD2 ARG 4 HD2 ARG 4 14.113 -5.162 -8.904
29 HD3 ARG 4 HD1 ARG 4 12.766 -4.608 -7.902
30 HE ARG 4 HE ARG 4 13.824 -2.395 -7.799
31 HH11 ARG 4 HH11 ARG 4 16.501 -4.002 -8.588
32 HH12 ARG 4 HH12 ARG 4 16.867 -3.160 -10.057
33 HH21 ARG 4 HH21 ARG 4 13.773 -1.609 -10.252
34 HH22 ARG 4 HH22 ARG 4 15.323 -1.806 -11.000
35 H LEU 5 HN LEU 5 12.952 -2.810 -2.735
36 HA LEU 5 HA LEU 5 13.823 0.023 -3.026
37 HB2 LEU 5 HB2 LEU 5 11.730 -1.301 -1.261
38 HB3 LEU 5 HB1 LEU 5 12.070 0.428 -1.306
39 HG LEU 5 HG LEU 5 10.190 0.146 -2.730
40 HD11 LEU 5 HD11 LEU 5 12.375 1.291 -3.688
41 HD12 LEU 5 HD12 LEU 5 10.966 1.047 -4.721
42 HD13 LEU 5 HD13 LEU 5 12.330 -0.066 -4.813
43 HD21 LEU 5 HD21 LEU 5 11.019 -2.469 -2.965
44 HD22 LEU 5 HD22 LEU 5 11.337 -1.839 -4.581
45 HD23 LEU 5 HD23 LEU 5 9.713 -1.743 -3.902
46 H CYS 6 HN CYS 6 15.753 0.188 -2.102
47 HA CYS 6 HA CYS 6 16.116 -0.677 0.709
48 HB2 CYS 6 HB2 CYS 6 16.790 -2.490 -1.066
49 HB3 CYS 6 HB1 CYS 6 18.190 -1.451 -1.333
50 H TYR 7 HN TYR 7 16.924 0.988 1.720
51 HA TYR 7 HA TYR 7 19.221 2.488 0.770
52 HB2 TYR 7 HB2 TYR 7 17.548 4.597 0.971
53 HB3 TYR 7 HB1 TYR 7 17.770 3.751 -0.554
54 HD1 TYR 7 HD1 TYR 7 16.083 2.872 -1.598
55 HD2 TYR 7 HD2 TYR 7 15.861 3.626 2.583
56 HE1 TYR 7 HE1 TYR 7 13.734 2.182 -1.650
57 HE2 TYR 7 HE2 TYR 7 13.501 2.950 2.596
58 HH TYR 7 HH TYR 7 11.622 2.688 -0.149
59 H CYS 8 HN CYS 8 19.776 4.024 2.363
60 HA CYS 8 HA CYS 8 18.385 3.832 4.973
61 HB2 CYS 8 HB2 CYS 8 20.177 2.074 4.506
62 HB3 CYS 8 HB1 CYS 8 21.332 3.396 4.672
63 H ARG 9 HN ARG 9 18.093 5.801 5.604
64 HA ARG 9 HA ARG 9 20.155 7.927 5.233
65 HB2 ARG 9 HB2 ARG 9 17.182 7.818 4.785
66 HB3 ARG 9 HB1 ARG 9 17.963 9.360 5.132
67 HG2 ARG 9 HG2 ARG 9 18.033 9.256 2.791
68 HG3 ARG 9 HG1 ARG 9 19.629 8.675 3.264
69 HD2 ARG 9 HD2 ARG 9 17.927 6.400 3.248
70 HD3 ARG 9 HD1 ARG 9 17.616 7.289 1.745
71 HE ARG 9 HE ARG 9 20.421 6.723 2.621
72 HH11 ARG 9 HH11 ARG 9 18.527 7.801 0.095
73 HH12 ARG 9 HH12 ARG 9 19.218 6.769 -1.112
74 HH21 ARG 9 HH21 ARG 9 21.048 4.892 1.156
75 HH22 ARG 9 HH22 ARG 9 20.643 5.125 -0.512
76 HA PRO 10 HA PRO 10 19.905 8.097 9.647
77 HB2 PRO 10 HB2 PRO 10 20.554 10.767 9.998
78 HB3 PRO 10 HB1 PRO 10 21.743 9.478 9.708
79 HG2 PRO 10 HG2 PRO 10 20.474 11.344 7.737
80 HG3 PRO 10 HG1 PRO 10 22.185 10.903 7.922
81 HD2 PRO 10 HD2 PRO 10 20.739 9.741 6.031
82 HD3 PRO 10 HD1 PRO 10 21.855 8.754 7.006
83 H ARG 11 HN ARG 11 17.982 9.945 7.466
84 HA ARG 11 HA ARG 11 16.170 11.072 9.464
85 HB2 ARG 11 HB2 ARG 11 16.221 10.827 6.469
86 HB3 ARG 11 HB1 ARG 11 14.903 11.618 7.336
87 HG2 ARG 11 HG2 ARG 11 16.386 13.278 8.242
88 HG3 ARG 11 HG1 ARG 11 17.808 12.403 7.669
89 HD2 ARG 11 HD2 ARG 11 17.347 14.258 6.137
90 HD3 ARG 11 HD1 ARG 11 16.971 12.733 5.309
91 HE ARG 11 HE ARG 11 14.611 13.467 6.635
92 HH11 ARG 11 HH11 ARG 11 14.873 13.162 3.641
93 HH12 ARG 11 HH12 ARG 11 14.447 14.748 3.090
94 HH21 ARG 11 HH21 ARG 11 14.853 16.228 6.200
95 HH22 ARG 11 HH22 ARG 11 14.435 16.483 4.538
96 H PHE 12 HN PHE 12 16.454 8.269 7.490
97 HA PHE 12 HA PHE 12 14.425 6.726 8.907
98 HB2 PHE 12 HB2 PHE 12 12.968 6.576 6.848
99 HB3 PHE 12 HB1 PHE 12 13.015 8.220 7.514
100 HD1 PHE 12 HD1 PHE 12 14.333 5.992 4.867
101 HD2 PHE 12 HD2 PHE 12 14.243 9.957 6.472
102 HE1 PHE 12 HE1 PHE 12 15.407 6.850 2.809
103 HE2 PHE 12 HE2 PHE 12 15.305 10.838 4.423
104 HZ PHE 12 HZ PHE 12 15.891 9.278 2.568
105 H CYS 13 HN CYS 13 14.500 4.444 7.900
106 HA CYS 13 HA CYS 13 16.161 4.116 5.571
107 HB2 CYS 13 HB2 CYS 13 17.999 4.652 6.864
108 HB3 CYS 13 HB1 CYS 13 17.275 4.036 8.342
109 H VAL 14 HN VAL 14 15.507 2.190 4.689
110 HA VAL 14 HA VAL 14 15.005 -0.190 6.320
111 HB VAL 14 HB VAL 14 12.905 1.672 5.358
112 HG11 VAL 14 HG11 VAL 14 12.359 -0.155 3.899
113 HG12 VAL 14 HG12 VAL 14 11.256 -0.262 5.271
114 HG13 VAL 14 HG13 VAL 14 12.651 -1.337 5.174
115 HG21 VAL 14 HG21 VAL 14 13.508 -0.068 7.694
116 HG22 VAL 14 HG22 VAL 14 11.805 0.229 7.342
117 HG23 VAL 14 HG23 VAL 14 12.891 1.584 7.652
118 H CYS 15 HN CYS 15 14.609 -2.061 4.987
119 HA CYS 15 HA CYS 15 15.171 -1.666 2.069
120 HB2 CYS 15 HB2 CYS 15 17.086 -2.487 3.531
121 HB3 CYS 15 HB1 CYS 15 16.138 -3.950 3.801
122 H VAL 16 HN VAL 16 13.763 -2.693 0.761
123 HA VAL 16 HA VAL 16 12.296 -5.107 1.555
124 HB VAL 16 HB VAL 16 10.964 -2.429 1.009
125 HG11 VAL 16 HG11 VAL 16 9.475 -3.903 0.012
126 HG12 VAL 16 HG12 VAL 16 8.904 -3.962 1.679
127 HG13 VAL 16 HG13 VAL 16 9.943 -5.245 1.056
128 HG21 VAL 16 HG21 VAL 16 9.931 -2.987 3.306
129 HG22 VAL 16 HG22 VAL 16 11.616 -2.469 3.293
130 HG23 VAL 16 HG23 VAL 16 11.221 -4.179 3.459
131 H GLY 17 HN GLY 17 12.028 -6.328 -0.204
132 HA2 GLY 17 HA2 GLY 17 11.528 -5.191 -2.813
133 HA3 GLY 17 HA1 GLY 17 13.161 -5.849 -2.661
134 H ARG 18 HN ARG 18 9.909 -6.596 -3.217
135 HA ARG 18 HA ARG 18 10.603 -9.351 -3.624
136 HB2 ARG 18 HB2 ARG 18 9.514 -10.298 -1.741
137 HB3 ARG 18 HB1 ARG 18 10.408 -8.920 -1.097
138 HG2 ARG 18 HG2 ARG 18 7.471 -8.872 -1.863
139 HG3 ARG 18 HG1 ARG 18 8.081 -9.060 -0.220
140 HD2 ARG 18 HD2 ARG 18 7.871 -6.772 -0.197
141 HD3 ARG 18 HD1 ARG 18 9.453 -6.835 -1.000
142 HE ARG 18 HE ARG 18 7.262 -7.165 -2.879
143 HH11 ARG 18 HH11 ARG 18 8.391 -5.732 -4.557
144 HH12 ARG 18 HH12 ARG 18 8.427 -4.057 -4.116
145 HH21 ARG 18 HH21 ARG 18 7.623 -4.643 -0.793
146 HH22 ARG 18 HH22 ARG 18 7.992 -3.441 -1.984
Start of MODEL 19
1 H1 ARG 1 HT1 ARG 1 12.412 -5.900 -12.024
2 H2 ARG 1 HT2 ARG 1 11.404 -6.879 -12.979
3 H3 ARG 1 HT3 ARG 1 13.013 -7.339 -12.690
4 HA ARG 1 HA ARG 1 11.693 -8.682 -11.268
5 HB2 ARG 1 HB2 ARG 1 13.462 -6.541 -10.368
6 HB3 ARG 1 HB1 ARG 1 12.364 -7.055 -9.088
7 HG2 ARG 1 HG2 ARG 1 14.020 -8.969 -10.756
8 HG3 ARG 1 HG1 ARG 1 14.514 -8.365 -9.173
9 HD2 ARG 1 HD2 ARG 1 11.820 -9.684 -9.546
10 HD3 ARG 1 HD1 ARG 1 13.278 -10.646 -9.227
11 HE ARG 1 HE ARG 1 12.539 -8.363 -7.439
12 HH11 ARG 1 HH11 ARG 1 14.628 -10.913 -7.720
13 HH12 ARG 1 HH12 ARG 1 14.260 -11.642 -6.191
14 HH21 ARG 1 HH21 ARG 1 11.511 -9.615 -5.588
15 HH22 ARG 1 HH22 ARG 1 12.496 -10.906 -4.985
16 H GLY 2 HN GLY 2 10.613 -7.946 -8.796
17 HA2 GLY 2 HA2 GLY 2 8.027 -6.781 -9.661
18 HA3 GLY 2 HA1 GLY 2 8.301 -7.686 -8.172
19 H GLY 3 HN GLY 3 10.700 -6.168 -7.432
20 HA2 GLY 3 HA2 GLY 3 10.451 -3.397 -7.322
21 HA3 GLY 3 HA1 GLY 3 9.386 -3.983 -6.047
22 H ARG 4 HN ARG 4 12.300 -2.721 -6.416
23 HA ARG 4 HA ARG 4 13.327 -4.334 -4.165
24 HB2 ARG 4 HB2 ARG 4 14.928 -3.124 -6.441
25 HB3 ARG 4 HB1 ARG 4 15.586 -4.062 -5.107
26 HG2 ARG 4 HG2 ARG 4 15.424 -5.672 -6.793
27 HG3 ARG 4 HG1 ARG 4 13.931 -5.916 -5.894
28 HD2 ARG 4 HD2 ARG 4 13.967 -5.656 -8.582
29 HD3 ARG 4 HD1 ARG 4 12.609 -5.080 -7.609
30 HE ARG 4 HE ARG 4 13.502 -2.819 -7.773
31 HH11 ARG 4 HH11 ARG 4 16.235 -2.653 -7.923
32 HH12 ARG 4 HH12 ARG 4 16.659 -2.668 -9.602
33 HH21 ARG 4 HH21 ARG 4 13.610 -3.958 -10.634
34 HH22 ARG 4 HH22 ARG 4 15.173 -3.406 -11.137
35 H LEU 5 HN LEU 5 12.915 -2.865 -2.567
36 HA LEU 5 HA LEU 5 13.848 -0.064 -2.982
37 HB2 LEU 5 HB2 LEU 5 11.690 -1.204 -1.167
38 HB3 LEU 5 HB1 LEU 5 12.077 0.505 -1.350
39 HG LEU 5 HG LEU 5 10.195 0.156 -2.749
40 HD11 LEU 5 HD11 LEU 5 12.214 -0.282 -4.881
41 HD12 LEU 5 HD12 LEU 5 12.499 1.080 -3.797
42 HD13 LEU 5 HD13 LEU 5 11.001 0.988 -4.722
43 HD21 LEU 5 HD21 LEU 5 11.008 -2.494 -2.802
44 HD22 LEU 5 HD22 LEU 5 11.236 -1.973 -4.470
45 HD23 LEU 5 HD23 LEU 5 9.655 -1.821 -3.708
46 H CYS 6 HN CYS 6 15.769 0.067 -2.015
47 HA CYS 6 HA CYS 6 16.009 -0.650 0.839
48 HB2 CYS 6 HB2 CYS 6 16.571 -2.715 -0.409
49 HB3 CYS 6 HB1 CYS 6 17.795 -1.829 -1.314
50 H TYR 7 HN TYR 7 16.915 0.976 1.782
51 HA TYR 7 HA TYR 7 19.334 2.280 0.862
52 HB2 TYR 7 HB2 TYR 7 17.806 4.502 0.905
53 HB3 TYR 7 HB1 TYR 7 18.017 3.575 -0.574
54 HD1 TYR 7 HD1 TYR 7 16.001 3.724 2.496
55 HD2 TYR 7 HD2 TYR 7 16.306 2.769 -1.639
56 HE1 TYR 7 HE1 TYR 7 13.600 3.211 2.455
57 HE2 TYR 7 HE2 TYR 7 13.916 2.249 -1.747
58 HH TYR 7 HH TYR 7 12.091 1.496 0.626
59 H CYS 8 HN CYS 8 19.918 3.849 2.442
60 HA CYS 8 HA CYS 8 18.392 3.792 4.987
61 HB2 CYS 8 HB2 CYS 8 20.125 1.952 4.647
62 HB3 CYS 8 HB1 CYS 8 21.329 3.227 4.830
63 H ARG 9 HN ARG 9 18.157 5.778 5.574
64 HA ARG 9 HA ARG 9 20.317 7.812 5.271
65 HB2 ARG 9 HB2 ARG 9 17.368 7.815 4.678
66 HB3 ARG 9 HB1 ARG 9 18.189 9.330 5.051
67 HG2 ARG 9 HG2 ARG 9 18.372 9.196 2.717
68 HG3 ARG 9 HG1 ARG 9 19.920 8.565 3.276
69 HD2 ARG 9 HD2 ARG 9 18.135 6.353 3.195
70 HD3 ARG 9 HD1 ARG 9 17.942 7.233 1.667
71 HE ARG 9 HE ARG 9 20.671 6.573 2.702
72 HH11 ARG 9 HH11 ARG 9 21.303 4.693 1.309
73 HH12 ARG 9 HH12 ARG 9 21.001 4.907 -0.383
74 HH21 ARG 9 HH21 ARG 9 18.958 7.673 0.057
75 HH22 ARG 9 HH22 ARG 9 19.674 6.593 -1.091
76 HA PRO 10 HA PRO 10 19.867 8.040 9.669
77 HB2 PRO 10 HB2 PRO 10 20.617 10.682 10.024
78 HB3 PRO 10 HB1 PRO 10 21.760 9.340 9.804
79 HG2 PRO 10 HG2 PRO 10 20.665 11.233 7.754
80 HG3 PRO 10 HG1 PRO 10 22.346 10.726 8.026
81 HD2 PRO 10 HD2 PRO 10 20.950 9.596 6.081
82 HD3 PRO 10 HD1 PRO 10 21.970 8.576 7.126
83 H ARG 11 HN ARG 11 18.132 9.941 7.382
84 HA ARG 11 HA ARG 11 16.287 11.169 9.282
85 HB2 ARG 11 HB2 ARG 11 16.266 10.864 6.287
86 HB3 ARG 11 HB1 ARG 11 15.214 11.942 7.203
87 HG2 ARG 11 HG2 ARG 11 18.245 12.079 7.118
88 HG3 ARG 11 HG1 ARG 11 17.147 13.162 6.262
89 HD2 ARG 11 HD2 ARG 11 16.310 14.085 8.313
90 HD3 ARG 11 HD1 ARG 11 17.101 12.823 9.277
91 HE ARG 11 HE ARG 11 19.252 13.822 8.755
92 HH11 ARG 11 HH11 ARG 11 18.807 14.919 6.066
93 HH12 ARG 11 HH12 ARG 11 18.656 16.620 6.353
94 HH21 ARG 11 HH21 ARG 11 18.070 16.266 9.752
95 HH22 ARG 11 HH22 ARG 11 18.239 17.383 8.438
96 H PHE 12 HN PHE 12 16.540 8.321 7.381
97 HA PHE 12 HA PHE 12 14.378 6.905 8.721
98 HB2 PHE 12 HB2 PHE 12 12.996 6.778 6.613
99 HB3 PHE 12 HB1 PHE 12 13.097 8.434 7.241
100 HD1 PHE 12 HD1 PHE 12 14.427 10.088 6.200
101 HD2 PHE 12 HD2 PHE 12 14.421 6.076 4.712
102 HE1 PHE 12 HE1 PHE 12 15.608 10.863 4.175
103 HE2 PHE 12 HE2 PHE 12 15.589 6.833 2.667
104 HZ PHE 12 HZ PHE 12 16.186 9.231 2.380
105 H CYS 13 HN CYS 13 14.399 4.595 7.760
106 HA CYS 13 HA CYS 13 16.151 4.156 5.513
107 HB2 CYS 13 HB2 CYS 13 17.940 4.659 6.890
108 HB3 CYS 13 HB1 CYS 13 17.133 4.073 8.335
109 H VAL 14 HN VAL 14 15.451 2.251 4.634
110 HA VAL 14 HA VAL 14 14.807 -0.098 6.261
111 HB VAL 14 HB VAL 14 12.805 1.821 5.190
112 HG11 VAL 14 HG11 VAL 14 11.093 -0.028 5.062
113 HG12 VAL 14 HG12 VAL 14 12.423 -1.184 5.126
114 HG13 VAL 14 HG13 VAL 14 12.290 -0.067 3.767
115 HG21 VAL 14 HG21 VAL 14 13.260 0.124 7.593
116 HG22 VAL 14 HG22 VAL 14 11.587 0.492 7.175
117 HG23 VAL 14 HG23 VAL 14 12.727 1.801 7.486
118 H CYS 15 HN CYS 15 14.437 -1.967 4.909
119 HA CYS 15 HA CYS 15 14.929 -1.577 1.985
120 HB2 CYS 15 HB2 CYS 15 16.439 -3.223 4.008
121 HB3 CYS 15 HB1 CYS 15 16.442 -3.683 2.305
122 H VAL 16 HN VAL 16 13.276 -2.531 0.932
123 HA VAL 16 HA VAL 16 12.361 -5.237 1.667
124 HB VAL 16 HB VAL 16 10.571 -2.782 1.592
125 HG11 VAL 16 HG11 VAL 16 9.172 -4.448 0.781
126 HG12 VAL 16 HG12 VAL 16 8.947 -4.664 2.517
127 HG13 VAL 16 HG13 VAL 16 10.035 -5.730 1.630
128 HG21 VAL 16 HG21 VAL 16 10.114 -3.567 3.995
129 HG22 VAL 16 HG22 VAL 16 11.684 -2.820 3.700
130 HG23 VAL 16 HG23 VAL 16 11.551 -4.574 3.823
131 H GLY 17 HN GLY 17 12.203 -6.329 -0.170
132 HA2 GLY 17 HA2 GLY 17 10.941 -5.210 -2.514
133 HA3 GLY 17 HA1 GLY 17 12.689 -5.381 -2.706
134 H ARG 18 HN ARG 18 9.728 -6.986 -2.855
135 HA ARG 18 HA ARG 18 11.069 -9.405 -3.640
136 HB2 ARG 18 HB2 ARG 18 10.631 -10.730 -1.728
137 HB3 ARG 18 HB1 ARG 18 11.182 -9.185 -1.076
138 HG2 ARG 18 HG2 ARG 18 8.283 -10.016 -1.400
139 HG3 ARG 18 HG1 ARG 18 9.185 -10.041 0.113
140 HD2 ARG 18 HD2 ARG 18 8.297 -7.938 0.349
141 HD3 ARG 18 HD1 ARG 18 9.647 -7.476 -0.707
142 HE ARG 18 HE ARG 18 8.125 -7.450 -2.579
143 HH11 ARG 18 HH11 ARG 18 6.312 -5.824 -1.220
144 HH12 ARG 18 HH12 ARG 18 4.858 -6.752 -1.066
145 HH21 ARG 18 HH21 ARG 18 6.406 -9.787 -1.698
146 HH22 ARG 18 HH22 ARG 18 4.912 -8.993 -1.335
Start of MODEL 20
1 H1 ARG 1 HT1 ARG 1 12.964 -5.791 -10.741
2 H2 ARG 1 HT2 ARG 1 12.345 -6.023 -12.306
3 H3 ARG 1 HT3 ARG 1 13.671 -6.939 -11.769
4 HA ARG 1 HA ARG 1 11.617 -8.254 -11.733
5 HB2 ARG 1 HB2 ARG 1 13.668 -8.019 -9.935
6 HB3 ARG 1 HB1 ARG 1 12.269 -7.824 -8.878
7 HG2 ARG 1 HG2 ARG 1 11.406 -9.943 -9.415
8 HG3 ARG 1 HG1 ARG 1 12.354 -10.056 -10.897
9 HD2 ARG 1 HD2 ARG 1 14.198 -9.745 -8.733
10 HD3 ARG 1 HD1 ARG 1 13.053 -11.027 -8.295
11 HE ARG 1 HE ARG 1 14.144 -11.098 -11.049
12 HH11 ARG 1 HH11 ARG 1 16.347 -12.240 -10.628
13 HH12 ARG 1 HH12 ARG 1 16.161 -13.741 -9.782
14 HH21 ARG 1 HH21 ARG 1 12.927 -13.057 -8.738
15 HH22 ARG 1 HH22 ARG 1 14.225 -14.203 -8.712
16 H GLY 2 HN GLY 2 10.230 -8.369 -9.165
17 HA2 GLY 2 HA2 GLY 2 7.927 -6.795 -9.761
18 HA3 GLY 2 HA1 GLY 2 8.222 -7.608 -8.223
19 H GLY 3 HN GLY 3 10.403 -6.346 -7.203
20 HA2 GLY 3 HA2 GLY 3 10.497 -3.510 -7.463
21 HA3 GLY 3 HA1 GLY 3 9.368 -3.911 -6.171
22 H ARG 4 HN ARG 4 12.329 -2.871 -6.517
23 HA ARG 4 HA ARG 4 13.249 -4.464 -4.201
24 HB2 ARG 4 HB2 ARG 4 14.961 -3.319 -6.433
25 HB3 ARG 4 HB1 ARG 4 15.523 -4.317 -5.099
26 HG2 ARG 4 HG2 ARG 4 15.332 -5.869 -6.847
27 HG3 ARG 4 HG1 ARG 4 13.821 -6.076 -5.969
28 HD2 ARG 4 HD2 ARG 4 13.887 -5.757 -8.645
29 HD3 ARG 4 HD1 ARG 4 12.550 -5.135 -7.670
30 HE ARG 4 HE ARG 4 13.581 -2.917 -7.759
31 HH11 ARG 4 HH11 ARG 4 13.462 -2.628 -10.419
32 HH12 ARG 4 HH12 ARG 4 15.068 -2.737 -11.059
33 HH21 ARG 4 HH21 ARG 4 16.380 -4.248 -8.228
34 HH22 ARG 4 HH22 ARG 4 16.720 -3.654 -9.819
35 H LEU 5 HN LEU 5 12.872 -2.964 -2.627
36 HA LEU 5 HA LEU 5 13.816 -0.176 -3.086
37 HB2 LEU 5 HB2 LEU 5 11.700 -1.310 -1.218
38 HB3 LEU 5 HB1 LEU 5 12.085 0.398 -1.406
39 HG LEU 5 HG LEU 5 10.176 0.050 -2.777
40 HD11 LEU 5 HD11 LEU 5 12.235 -0.371 -4.896
41 HD12 LEU 5 HD12 LEU 5 12.414 1.034 -3.845
42 HD13 LEU 5 HD13 LEU 5 10.948 0.831 -4.805
43 HD21 LEU 5 HD21 LEU 5 11.248 -2.089 -4.492
44 HD22 LEU 5 HD22 LEU 5 9.641 -1.911 -3.790
45 HD23 LEU 5 HD23 LEU 5 10.952 -2.594 -2.828
46 H CYS 6 HN CYS 6 15.742 0.008 -2.162
47 HA CYS 6 HA CYS 6 16.097 -0.809 0.675
48 HB2 CYS 6 HB2 CYS 6 16.845 -2.565 -1.165
49 HB3 CYS 6 HB1 CYS 6 18.246 -1.501 -1.305
50 H TYR 7 HN TYR 7 16.857 0.877 1.697
51 HA TYR 7 HA TYR 7 19.111 2.443 0.752
52 HB2 TYR 7 HB2 TYR 7 17.362 4.499 0.987
53 HB3 TYR 7 HB1 TYR 7 17.648 3.699 -0.551
54 HD1 TYR 7 HD1 TYR 7 16.007 2.803 -1.657
55 HD2 TYR 7 HD2 TYR 7 15.687 3.406 2.543
56 HE1 TYR 7 HE1 TYR 7 13.683 2.034 -1.773
57 HE2 TYR 7 HE2 TYR 7 13.352 2.650 2.491
58 HH TYR 7 HH TYR 7 11.931 1.091 0.897
59 H CYS 8 HN CYS 8 19.644 3.970 2.351
60 HA CYS 8 HA CYS 8 18.249 3.823 4.953
61 HB2 CYS 8 HB2 CYS 8 19.895 1.932 4.546
62 HB3 CYS 8 HB1 CYS 8 21.158 3.155 4.666
63 H ARG 9 HN ARG 9 18.092 5.808 5.585
64 HA ARG 9 HA ARG 9 20.313 7.775 5.264
65 HB2 ARG 9 HB2 ARG 9 17.354 7.883 4.739
66 HB3 ARG 9 HB1 ARG 9 18.228 9.364 5.128
67 HG2 ARG 9 HG2 ARG 9 18.363 9.281 2.790
68 HG3 ARG 9 HG1 ARG 9 19.899 8.584 3.301
69 HD2 ARG 9 HD2 ARG 9 18.033 6.440 3.208
70 HD3 ARG 9 HD1 ARG 9 17.845 7.361 1.703
71 HE ARG 9 HE ARG 9 20.571 6.598 2.667
72 HH11 ARG 9 HH11 ARG 9 21.100 4.692 1.259
73 HH12 ARG 9 HH12 ARG 9 20.762 4.917 -0.423
74 HH21 ARG 9 HH21 ARG 9 18.832 7.755 0.067
75 HH22 ARG 9 HH22 ARG 9 19.479 6.649 -1.099
76 HA PRO 10 HA PRO 10 19.988 7.944 9.677
77 HB2 PRO 10 HB2 PRO 10 20.817 10.561 10.054
78 HB3 PRO 10 HB1 PRO 10 21.918 9.192 9.783
79 HG2 PRO 10 HG2 PRO 10 20.819 11.145 7.791
80 HG3 PRO 10 HG1 PRO 10 22.492 10.593 8.012
81 HD2 PRO 10 HD2 PRO 10 21.024 9.527 6.087
82 HD3 PRO 10 HD1 PRO 10 22.037 8.464 7.096
83 H ARG 11 HN ARG 11 18.256 9.955 7.475
84 HA ARG 11 HA ARG 11 16.492 11.205 9.439
85 HB2 ARG 11 HB2 ARG 11 16.550 10.936 6.444
86 HB3 ARG 11 HB1 ARG 11 15.318 11.862 7.303
87 HG2 ARG 11 HG2 ARG 11 17.014 13.321 8.259
88 HG3 ARG 11 HG1 ARG 11 18.301 12.341 7.552
89 HD2 ARG 11 HD2 ARG 11 18.068 14.148 6.029
90 HD3 ARG 11 HD1 ARG 11 17.116 12.850 5.278
91 HE ARG 11 HE ARG 11 15.217 13.980 6.813
92 HH11 ARG 11 HH11 ARG 11 15.740 16.503 7.407
93 HH12 ARG 11 HH12 ARG 11 15.687 17.457 5.961
94 HH21 ARG 11 HH21 ARG 11 15.982 14.730 3.838
95 HH22 ARG 11 HH22 ARG 11 15.822 16.452 3.941
96 H PHE 12 HN PHE 12 16.601 8.381 7.479
97 HA PHE 12 HA PHE 12 14.450 6.989 8.869
98 HB2 PHE 12 HB2 PHE 12 13.010 6.939 6.789
99 HB3 PHE 12 HB1 PHE 12 13.162 8.575 7.456
100 HD1 PHE 12 HD1 PHE 12 14.527 10.225 6.430
101 HD2 PHE 12 HD2 PHE 12 14.350 6.259 4.825
102 HE1 PHE 12 HE1 PHE 12 15.682 11.020 4.398
103 HE2 PHE 12 HE2 PHE 12 15.491 7.040 2.772
104 HZ PHE 12 HZ PHE 12 16.162 9.426 2.543
105 H CYS 13 HN CYS 13 14.403 4.694 7.871
106 HA CYS 13 HA CYS 13 16.062 4.271 5.559
107 HB2 CYS 13 HB2 CYS 13 17.926 4.699 6.846
108 HB3 CYS 13 HB1 CYS 13 17.157 4.168 8.332
109 H VAL 14 HN VAL 14 15.413 2.342 4.692
110 HA VAL 14 HA VAL 14 14.739 0.012 6.321
111 HB VAL 14 HB VAL 14 12.760 1.961 5.298
112 HG11 VAL 14 HG11 VAL 14 11.027 0.142 5.060
113 HG12 VAL 14 HG12 VAL 14 12.343 -1.031 5.074
114 HG13 VAL 14 HG13 VAL 14 12.234 0.157 3.775
115 HG21 VAL 14 HG21 VAL 14 13.190 0.158 7.620
116 HG22 VAL 14 HG22 VAL 14 11.515 0.520 7.202
117 HG23 VAL 14 HG23 VAL 14 12.632 1.831 7.582
118 H CYS 15 HN CYS 15 14.333 -1.852 4.987
119 HA CYS 15 HA CYS 15 14.899 -1.500 2.069
120 HB2 CYS 15 HB2 CYS 15 16.926 -2.129 3.386
121 HB3 CYS 15 HB1 CYS 15 16.086 -3.586 3.917
122 H VAL 16 HN VAL 16 13.516 -2.618 0.831
123 HA VAL 16 HA VAL 16 12.259 -5.132 1.676
124 HB VAL 16 HB VAL 16 10.727 -2.548 1.215
125 HG11 VAL 16 HG11 VAL 16 9.526 -4.349 0.129
126 HG12 VAL 16 HG12 VAL 16 8.707 -3.989 1.649
127 HG13 VAL 16 HG13 VAL 16 9.754 -5.403 1.525
128 HG21 VAL 16 HG21 VAL 16 11.437 -2.605 3.479
129 HG22 VAL 16 HG22 VAL 16 11.167 -4.344 3.604
130 HG23 VAL 16 HG23 VAL 16 9.793 -3.242 3.519
131 H GLY 17 HN GLY 17 12.130 -6.380 -0.078
132 HA2 GLY 17 HA2 GLY 17 11.351 -5.333 -2.652
133 HA3 GLY 17 HA1 GLY 17 13.068 -5.742 -2.588
134 H ARG 18 HN ARG 18 9.933 -6.968 -2.978
135 HA ARG 18 HA ARG 18 11.021 -9.581 -3.431
136 HB2 ARG 18 HB2 ARG 18 10.175 -10.696 -1.506
137 HB3 ARG 18 HB1 ARG 18 10.902 -9.202 -0.903
138 HG2 ARG 18 HG2 ARG 18 8.062 -8.930 -1.647
139 HG3 ARG 18 HG1 ARG 18 8.354 -10.047 -0.317
140 HD2 ARG 18 HD2 ARG 18 8.126 -7.918 0.728
141 HD3 ARG 18 HD1 ARG 18 9.882 -8.174 0.639
142 HE ARG 18 HE ARG 18 9.982 -6.425 -0.930
143 HH11 ARG 18 HH11 ARG 18 9.159 -5.091 -2.551
144 HH12 ARG 18 HH12 ARG 18 7.459 -5.095 -2.880
145 HH21 ARG 18 HH21 ARG 18 6.734 -7.587 -0.588
146 HH22 ARG 18 HH22 ARG 18 6.095 -6.501 -1.773