Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
584843 | 2muh RC | 25212 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 20.350 3.559 2.874
2 H2 ARG 1 HT2 ARG 1 20.028 5.138 2.332
3 H3 ARG 1 HT3 ARG 1 21.474 4.798 3.158
4 HA ARG 1 HA ARG 1 21.055 4.775 0.426
5 HB2 ARG 1 HB2 ARG 1 23.133 5.220 1.917
6 HB3 ARG 1 HB1 ARG 1 23.384 3.478 1.837
7 HG2 ARG 1 HG2 ARG 1 24.588 4.057 -0.036
8 HG3 ARG 1 HG1 ARG 1 22.997 3.958 -0.788
9 HD2 ARG 1 HD2 ARG 1 24.298 6.478 0.288
10 HD3 ARG 1 HD1 ARG 1 24.121 6.055 -1.413
11 HE ARG 1 HE ARG 1 22.043 7.059 0.351
12 HH11 ARG 1 HH21 ARG 1 22.855 5.375 -2.562
13 HH12 ARG 1 HH22 ARG 1 21.340 5.704 -3.336
14 HH21 ARG 1 HH11 ARG 1 20.054 7.489 -0.655
15 HH22 ARG 1 HH12 ARG 1 19.754 6.900 -2.256
16 H GLY 2 HN GLY 2 21.421 3.097 -1.132
17 HA2 GLY 2 HA2 GLY 2 21.339 0.940 -1.983
18 HA3 GLY 2 HA1 GLY 2 21.431 0.325 -0.335
19 H GLY 3 HN GLY 3 19.682 -0.743 0.313
20 HA2 GLY 3 HA2 GLY 3 17.029 0.272 -0.011
21 HA3 GLY 3 HA1 GLY 3 17.335 -1.079 -1.099
22 H ARG 4 HN ARG 4 15.677 -0.638 1.460
23 HA ARG 4 HA ARG 4 15.998 -3.291 2.483
24 HB2 ARG 4 HB2 ARG 4 17.866 -2.298 3.683
25 HB3 ARG 4 HB1 ARG 4 16.839 -0.981 4.248
26 HG2 ARG 4 HG2 ARG 4 15.524 -2.456 5.596
27 HG3 ARG 4 HG1 ARG 4 16.228 -3.883 4.837
28 HD2 ARG 4 HD2 ARG 4 17.967 -1.906 6.302
29 HD3 ARG 4 HD1 ARG 4 17.111 -3.172 7.177
30 HE ARG 4 HE ARG 4 19.452 -3.515 5.576
31 HH11 ARG 4 HH21 ARG 4 16.446 -4.965 6.488
32 HH12 ARG 4 HH22 ARG 4 16.998 -6.590 6.251
33 HH21 ARG 4 HH11 ARG 4 20.184 -5.643 5.262
34 HH22 ARG 4 HH12 ARG 4 19.114 -6.973 5.557
35 H LEU 5 HN LEU 5 13.844 -3.642 2.282
36 HA LEU 5 HA LEU 5 12.088 -2.540 4.256
37 HB2 LEU 5 HB2 LEU 5 10.570 -1.335 2.846
38 HB3 LEU 5 HB1 LEU 5 12.180 -0.689 2.541
39 HG LEU 5 HG LEU 5 10.715 -2.724 0.830
40 HD11 LEU 5 HD11 LEU 5 11.386 0.205 0.515
41 HD12 LEU 5 HD12 LEU 5 9.802 -0.569 0.411
42 HD13 LEU 5 HD13 LEU 5 10.993 -0.821 -0.864
43 HD21 LEU 5 HD21 LEU 5 12.754 -2.152 -0.706
44 HD22 LEU 5 HD22 LEU 5 12.984 -3.311 0.600
45 HD23 LEU 5 HD23 LEU 5 13.532 -1.646 0.794
46 H CYS 6 HN CYS 6 10.056 -3.607 4.312
47 HA CYS 6 HA CYS 6 9.980 -6.054 2.656
48 HB2 CYS 6 HB2 CYS 6 9.999 -5.773 5.461
49 HB3 CYS 6 HB1 CYS 6 8.367 -6.275 5.032
50 H TYR 7 HN TYR 7 8.486 -6.011 1.170
51 HA TYR 7 HA TYR 7 6.216 -4.227 1.324
52 HB2 TYR 7 HB2 TYR 7 7.172 -6.245 -0.706
53 HB3 TYR 7 HB1 TYR 7 5.626 -5.410 -0.872
54 HD1 TYR 7 HD1 TYR 7 5.532 -2.969 -1.144
55 HD2 TYR 7 HD2 TYR 7 9.268 -5.068 -0.946
56 HE1 TYR 7 HE1 TYR 7 6.697 -0.970 -2.021
57 HE2 TYR 7 HE2 TYR 7 10.438 -3.074 -1.824
58 HH TYR 7 HH TYR 7 8.715 -0.346 -3.106
59 H CYS 8 HN CYS 8 4.069 -4.798 1.576
60 HA CYS 8 HA CYS 8 3.542 -7.595 2.383
61 HB2 CYS 8 HB2 CYS 8 2.736 -5.012 3.669
62 HB3 CYS 8 HB1 CYS 8 1.695 -6.426 3.828
63 H ARG 9 HN ARG 9 2.333 -8.528 0.896
64 HA ARG 9 HA ARG 9 0.120 -6.981 -0.319
65 HB2 ARG 9 HB2 ARG 9 2.238 -7.845 -1.733
66 HB3 ARG 9 HB1 ARG 9 1.271 -9.317 -1.774
67 HG2 ARG 9 HG2 ARG 9 0.369 -8.275 -3.620
68 HG3 ARG 9 HG1 ARG 9 -0.668 -7.555 -2.389
69 HD2 ARG 9 HD2 ARG 9 1.597 -6.334 -3.913
70 HD3 ARG 9 HD1 ARG 9 0.041 -5.638 -3.476
71 HE ARG 9 HE ARG 9 1.208 -5.860 -1.068
72 HH11 ARG 9 HH21 ARG 9 2.382 -4.730 -4.123
73 HH12 ARG 9 HH22 ARG 9 3.492 -3.595 -3.430
74 HH21 ARG 9 HH11 ARG 9 2.662 -4.376 -0.156
75 HH22 ARG 9 HH12 ARG 9 3.652 -3.394 -1.186
76 H ARG 10 HN ARG 10 -1.857 -7.823 -0.066
77 HA ARG 10 HA ARG 10 -3.541 -9.227 0.604
78 HB2 ARG 10 HB2 ARG 10 -1.601 -11.350 -0.346
79 HB3 ARG 10 HB1 ARG 10 -3.314 -11.603 -0.012
80 HG2 ARG 10 HG2 ARG 10 -3.748 -9.702 -1.691
81 HG3 ARG 10 HG1 ARG 10 -2.067 -9.916 -2.183
82 HD2 ARG 10 HD2 ARG 10 -3.248 -11.320 -3.655
83 HD3 ARG 10 HD1 ARG 10 -2.669 -12.427 -2.415
84 HE ARG 10 HE ARG 10 -5.444 -11.487 -2.752
85 HH11 ARG 10 HH21 ARG 10 -3.088 -13.437 -1.113
86 HH12 ARG 10 HH22 ARG 10 -4.266 -14.433 -0.329
87 HH21 ARG 10 HH11 ARG 10 -6.981 -12.793 -1.723
88 HH22 ARG 10 HH12 ARG 10 -6.466 -14.071 -0.672
89 H ARG 11 HN ARG 11 -1.904 -12.031 1.380
90 HA ARG 11 HA ARG 11 -1.805 -11.291 4.248
91 HB2 ARG 11 HB2 ARG 11 -3.144 -13.479 2.839
92 HB3 ARG 11 HB1 ARG 11 -2.110 -14.062 4.140
93 HG2 ARG 11 HG2 ARG 11 -4.282 -13.645 5.091
94 HG3 ARG 11 HG1 ARG 11 -3.215 -12.360 5.656
95 HD2 ARG 11 HD2 ARG 11 -5.308 -11.363 4.932
96 HD3 ARG 11 HD1 ARG 11 -4.049 -10.919 3.785
97 HE ARG 11 HE ARG 11 -5.098 -12.252 2.170
98 HH11 ARG 11 HH21 ARG 11 -6.458 -12.697 5.320
99 HH12 ARG 11 HH22 ARG 11 -7.835 -13.582 4.751
100 HH21 ARG 11 HH11 ARG 11 -6.904 -13.408 1.416
101 HH22 ARG 11 HH12 ARG 11 -8.088 -13.982 2.541
102 H PHE 12 HN PHE 12 0.355 -11.223 2.183
103 HA PHE 12 HA PHE 12 2.314 -12.749 3.728
104 HB2 PHE 12 HB2 PHE 12 3.270 -13.865 1.822
105 HB3 PHE 12 HB1 PHE 12 1.548 -14.243 1.856
106 HD1 PHE 12 HD1 PHE 12 4.174 -12.248 0.184
107 HD2 PHE 12 HD2 PHE 12 0.034 -13.394 0.170
108 HE1 PHE 12 HE1 PHE 12 3.921 -11.305 -2.095
109 HE2 PHE 12 HE2 PHE 12 -0.219 -12.451 -2.111
110 HZ PHE 12 HZ PHE 12 1.725 -11.407 -3.244
111 H CYS 13 HN CYS 13 4.387 -11.903 3.644
112 HA CYS 13 HA CYS 13 4.726 -9.423 2.063
113 HB2 CYS 13 HB2 CYS 13 5.758 -9.882 4.870
114 HB3 CYS 13 HB1 CYS 13 5.871 -8.396 3.928
115 H VAL 14 HN VAL 14 7.077 -8.784 1.893
116 HA VAL 14 HA VAL 14 8.987 -10.979 2.081
117 HB VAL 14 HB VAL 14 7.881 -11.399 -0.081
118 HG11 VAL 14 HG11 VAL 14 7.260 -8.973 -0.441
119 HG12 VAL 14 HG12 VAL 14 7.949 -9.769 -1.856
120 HG13 VAL 14 HG13 VAL 14 8.940 -8.677 -0.888
121 HG21 VAL 14 HG21 VAL 14 10.623 -10.216 -0.572
122 HG22 VAL 14 HG22 VAL 14 9.887 -11.614 -1.357
123 HG23 VAL 14 HG23 VAL 14 10.396 -11.715 0.329
124 H CYS 15 HN CYS 15 11.099 -10.306 2.130
125 HA CYS 15 HA CYS 15 11.520 -7.392 2.235
126 HB2 CYS 15 HB2 CYS 15 12.762 -9.736 3.600
127 HB3 CYS 15 HB1 CYS 15 13.765 -8.315 3.317
128 H VAL 16 HN VAL 16 13.268 -6.419 1.182
129 HA VAL 16 HA VAL 16 14.488 -6.052 -0.749
130 HB VAL 16 HB VAL 16 15.701 -8.717 0.004
131 HG11 VAL 16 HG11 VAL 16 16.424 -7.679 -2.146
132 HG12 VAL 16 HG12 VAL 16 17.727 -7.744 -0.959
133 HG13 VAL 16 HG13 VAL 16 16.882 -6.225 -1.260
134 HG21 VAL 16 HG21 VAL 16 16.245 -5.943 1.112
135 HG22 VAL 16 HG22 VAL 16 17.185 -7.390 1.481
136 HG23 VAL 16 HG23 VAL 16 15.502 -7.276 1.995
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 23.644 -4.491 -2.720
2 H2 ARG 1 HT2 ARG 1 22.459 -4.919 -3.859
3 H3 ARG 1 HT3 ARG 1 23.157 -6.110 -2.869
4 HA ARG 1 HA ARG 1 20.833 -5.269 -2.271
5 HB2 ARG 1 HB2 ARG 1 22.346 -6.678 -0.839
6 HB3 ARG 1 HB1 ARG 1 23.010 -5.191 -0.161
7 HG2 ARG 1 HG2 ARG 1 20.696 -4.531 0.529
8 HG3 ARG 1 HG1 ARG 1 20.122 -6.102 -0.030
9 HD2 ARG 1 HD2 ARG 1 20.565 -6.085 2.415
10 HD3 ARG 1 HD1 ARG 1 21.581 -7.243 1.562
11 HE ARG 1 HE ARG 1 23.434 -5.971 2.155
12 HH11 ARG 1 HH21 ARG 1 20.501 -4.187 2.588
13 HH12 ARG 1 HH22 ARG 1 21.268 -2.854 3.385
14 HH21 ARG 1 HH11 ARG 1 24.446 -4.227 3.199
15 HH22 ARG 1 HH12 ARG 1 23.500 -2.876 3.732
16 H GLY 2 HN GLY 2 19.915 -3.330 -2.606
17 HA2 GLY 2 HA2 GLY 2 21.291 -0.862 -1.869
18 HA3 GLY 2 HA1 GLY 2 19.767 -0.994 -2.741
19 H GLY 3 HN GLY 3 18.256 0.030 -1.599
20 HA2 GLY 3 HA2 GLY 3 18.335 0.318 1.247
21 HA3 GLY 3 HA1 GLY 3 17.014 0.803 0.188
22 H ARG 4 HN ARG 4 16.837 -0.508 2.777
23 HA ARG 4 HA ARG 4 15.942 -3.227 2.154
24 HB2 ARG 4 HB2 ARG 4 15.707 -3.491 4.560
25 HB3 ARG 4 HB1 ARG 4 17.286 -2.789 4.202
26 HG2 ARG 4 HG2 ARG 4 16.059 -0.497 4.523
27 HG3 ARG 4 HG1 ARG 4 14.850 -1.461 5.373
28 HD2 ARG 4 HD2 ARG 4 16.367 -0.758 7.059
29 HD3 ARG 4 HD1 ARG 4 16.792 -2.436 6.729
30 HE ARG 4 HE ARG 4 18.848 -1.686 5.985
31 HH11 ARG 4 HH21 ARG 4 16.517 0.870 5.891
32 HH12 ARG 4 HH22 ARG 4 17.665 2.084 5.436
33 HH21 ARG 4 HH11 ARG 4 20.359 -0.099 5.388
34 HH22 ARG 4 HH12 ARG 4 19.840 1.537 5.152
35 H LEU 5 HN LEU 5 13.912 -3.596 1.555
36 HA LEU 5 HA LEU 5 11.747 -1.978 2.731
37 HB2 LEU 5 HB2 LEU 5 10.690 -2.204 0.323
38 HB3 LEU 5 HB1 LEU 5 11.804 -0.886 0.686
39 HG LEU 5 HG LEU 5 13.041 -3.431 -0.253
40 HD11 LEU 5 HD11 LEU 5 11.486 -1.582 -2.086
41 HD12 LEU 5 HD12 LEU 5 11.109 -3.272 -1.750
42 HD13 LEU 5 HD13 LEU 5 12.584 -2.854 -2.622
43 HD21 LEU 5 HD21 LEU 5 14.210 -1.210 0.303
44 HD22 LEU 5 HD22 LEU 5 13.485 -0.583 -1.176
45 HD23 LEU 5 HD23 LEU 5 14.613 -1.938 -1.249
46 H CYS 6 HN CYS 6 9.974 -3.137 3.273
47 HA CYS 6 HA CYS 6 9.955 -6.000 2.528
48 HB2 CYS 6 HB2 CYS 6 8.698 -4.823 5.000
49 HB3 CYS 6 HB1 CYS 6 9.046 -6.518 4.654
50 H TYR 7 HN TYR 7 8.549 -6.179 0.893
51 HA TYR 7 HA TYR 7 6.165 -4.592 0.681
52 HB2 TYR 7 HB2 TYR 7 7.230 -6.982 -0.816
53 HB3 TYR 7 HB1 TYR 7 5.631 -6.315 -1.150
54 HD1 TYR 7 HD2 TYR 7 5.621 -3.625 -1.311
55 HD2 TYR 7 HD1 TYR 7 8.993 -6.164 -2.097
56 HE1 TYR 7 HE2 TYR 7 6.642 -1.839 -2.680
57 HE2 TYR 7 HE1 TYR 7 10.016 -4.381 -3.470
58 HH TYR 7 HH TYR 7 9.067 -2.333 -4.829
59 H CYS 8 HN CYS 8 4.019 -5.262 0.943
60 HA CYS 8 HA CYS 8 3.500 -7.883 2.121
61 HB2 CYS 8 HB2 CYS 8 3.371 -5.318 3.610
62 HB3 CYS 8 HB1 CYS 8 2.048 -6.454 3.871
63 H ARG 9 HN ARG 9 2.090 -8.575 0.656
64 HA ARG 9 HA ARG 9 -0.172 -6.821 -0.092
65 HB2 ARG 9 HB2 ARG 9 1.081 -9.192 -1.493
66 HB3 ARG 9 HB1 ARG 9 -0.438 -8.456 -2.001
67 HG2 ARG 9 HG2 ARG 9 1.970 -6.701 -1.599
68 HG3 ARG 9 HG1 ARG 9 1.846 -7.660 -3.073
69 HD2 ARG 9 HD2 ARG 9 -0.175 -5.641 -2.064
70 HD3 ARG 9 HD1 ARG 9 0.871 -5.466 -3.469
71 HE ARG 9 HE ARG 9 -1.579 -6.997 -3.319
72 HH11 ARG 9 HH21 ARG 9 1.480 -6.565 -4.880
73 HH12 ARG 9 HH22 ARG 9 0.986 -7.309 -6.362
74 HH21 ARG 9 HH11 ARG 9 -2.235 -7.973 -5.263
75 HH22 ARG 9 HH12 ARG 9 -1.119 -8.105 -6.580
76 H ARG 10 HN ARG 10 -1.562 -7.240 1.602
77 HA ARG 10 HA ARG 10 -3.200 -8.350 2.757
78 HB2 ARG 10 HB2 ARG 10 -2.897 -10.469 0.616
79 HB3 ARG 10 HB1 ARG 10 -4.266 -10.266 1.708
80 HG2 ARG 10 HG2 ARG 10 -3.333 -8.196 -0.302
81 HG3 ARG 10 HG1 ARG 10 -4.707 -9.279 -0.532
82 HD2 ARG 10 HD2 ARG 10 -5.487 -8.293 1.790
83 HD3 ARG 10 HD1 ARG 10 -4.414 -6.964 1.357
84 HE ARG 10 HE ARG 10 -5.939 -6.334 -0.280
85 HH11 ARG 10 HH21 ARG 10 -6.579 -9.536 0.863
86 HH12 ARG 10 HH22 ARG 10 -8.087 -9.683 0.026
87 HH21 ARG 10 HH11 ARG 10 -7.919 -6.518 -1.379
88 HH22 ARG 10 HH12 ARG 10 -8.847 -7.974 -1.244
89 H ARG 11 HN ARG 11 -2.479 -11.547 1.945
90 HA ARG 11 HA ARG 11 -1.312 -11.982 4.600
91 HB2 ARG 11 HB2 ARG 11 -1.641 -14.470 3.741
92 HB3 ARG 11 HB1 ARG 11 -3.006 -13.526 4.339
93 HG2 ARG 11 HG2 ARG 11 -3.648 -12.915 2.080
94 HG3 ARG 11 HG1 ARG 11 -2.208 -13.691 1.420
95 HD2 ARG 11 HD2 ARG 11 -4.381 -15.044 1.301
96 HD3 ARG 11 HD1 ARG 11 -2.985 -15.862 1.995
97 HE ARG 11 HE ARG 11 -4.333 -14.668 4.119
98 HH11 ARG 11 HH21 ARG 11 -4.937 -17.012 1.643
99 HH12 ARG 11 HH22 ARG 11 -6.064 -17.924 2.593
100 HH21 ARG 11 HH11 ARG 11 -5.812 -15.858 5.364
101 HH22 ARG 11 HH12 ARG 11 -6.560 -17.270 4.696
102 H PHE 12 HN PHE 12 -0.097 -11.270 1.666
103 HA PHE 12 HA PHE 12 2.177 -13.147 1.855
104 HB2 PHE 12 HB2 PHE 12 1.144 -13.098 -0.336
105 HB3 PHE 12 HB1 PHE 12 1.255 -11.339 -0.392
106 HD1 PHE 12 HD1 PHE 12 3.164 -14.496 -0.526
107 HD2 PHE 12 HD2 PHE 12 3.366 -10.214 -0.810
108 HE1 PHE 12 HE1 PHE 12 5.450 -14.667 -1.475
109 HE2 PHE 12 HE2 PHE 12 5.650 -10.384 -1.759
110 HZ PHE 12 HZ PHE 12 6.692 -12.610 -2.091
111 H CYS 13 HN CYS 13 4.286 -12.392 2.034
112 HA CYS 13 HA CYS 13 4.835 -9.550 2.055
113 HB2 CYS 13 HB2 CYS 13 4.840 -11.172 4.596
114 HB3 CYS 13 HB1 CYS 13 5.792 -9.696 4.420
115 H VAL 14 HN VAL 14 7.002 -9.052 1.912
116 HA VAL 14 HA VAL 14 9.049 -11.070 2.227
117 HB VAL 14 HB VAL 14 8.117 -11.681 0.019
118 HG11 VAL 14 HG11 VAL 14 9.034 -8.943 -0.889
119 HG12 VAL 14 HG12 VAL 14 7.357 -9.299 -0.470
120 HG13 VAL 14 HG13 VAL 14 8.129 -10.141 -1.815
121 HG21 VAL 14 HG21 VAL 14 10.610 -11.781 0.599
122 HG22 VAL 14 HG22 VAL 14 10.787 -10.299 -0.339
123 HG23 VAL 14 HG23 VAL 14 10.217 -11.776 -1.119
124 H CYS 15 HN CYS 15 11.144 -10.191 2.180
125 HA CYS 15 HA CYS 15 11.385 -7.306 1.671
126 HB2 CYS 15 HB2 CYS 15 10.876 -7.943 4.172
127 HB3 CYS 15 HB1 CYS 15 12.578 -8.397 4.195
128 H VAL 16 HN VAL 16 13.476 -6.578 1.242
129 HA VAL 16 HA VAL 16 15.259 -8.649 0.226
130 HB VAL 16 HB VAL 16 16.448 -6.846 -0.842
131 HG11 VAL 16 HG11 VAL 16 14.271 -7.511 -1.833
132 HG12 VAL 16 HG12 VAL 16 14.626 -5.808 -2.124
133 HG13 VAL 16 HG13 VAL 16 13.469 -6.267 -0.874
134 HG21 VAL 16 HG21 VAL 16 15.609 -4.460 -0.390
135 HG22 VAL 16 HG22 VAL 16 16.598 -5.197 0.871
136 HG23 VAL 16 HG23 VAL 16 14.846 -5.120 1.056
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 13.672 0.764 11.506
2 H2 ARG 1 HT2 ARG 1 14.874 0.493 12.675
3 H3 ARG 1 HT3 ARG 1 14.775 -0.508 11.305
4 HA ARG 1 HA ARG 1 15.437 2.385 11.283
5 HB2 ARG 1 HB2 ARG 1 17.143 0.669 12.212
6 HB3 ARG 1 HB1 ARG 1 17.258 0.094 10.548
7 HG2 ARG 1 HG2 ARG 1 17.865 2.351 9.790
8 HG3 ARG 1 HG1 ARG 1 17.714 2.957 11.440
9 HD2 ARG 1 HD2 ARG 1 19.680 0.867 10.474
10 HD3 ARG 1 HD1 ARG 1 20.064 2.521 10.942
11 HE ARG 1 HE ARG 1 18.734 1.078 13.042
12 HH11 ARG 1 HH21 ARG 1 21.744 1.621 11.424
13 HH12 ARG 1 HH22 ARG 1 22.716 1.199 12.794
14 HH21 ARG 1 HH11 ARG 1 20.002 0.524 14.845
15 HH22 ARG 1 HH12 ARG 1 21.728 0.578 14.731
16 H GLY 2 HN GLY 2 15.877 3.210 9.198
17 HA2 GLY 2 HA2 GLY 2 14.183 2.448 7.138
18 HA3 GLY 2 HA1 GLY 2 15.635 3.420 6.918
19 H GLY 3 HN GLY 3 14.147 0.446 6.286
20 HA2 GLY 3 HA2 GLY 3 16.651 -0.977 5.737
21 HA3 GLY 3 HA1 GLY 3 15.025 -1.650 5.645
22 H ARG 4 HN ARG 4 15.387 -2.513 3.575
23 HA ARG 4 HA ARG 4 16.002 -0.666 1.385
24 HB2 ARG 4 HB2 ARG 4 15.745 -3.661 1.596
25 HB3 ARG 4 HB1 ARG 4 15.819 -2.849 0.034
26 HG2 ARG 4 HG2 ARG 4 17.951 -1.759 0.743
27 HG3 ARG 4 HG1 ARG 4 17.895 -2.696 2.236
28 HD2 ARG 4 HD2 ARG 4 18.192 -4.744 1.100
29 HD3 ARG 4 HD1 ARG 4 17.752 -4.047 -0.456
30 HE ARG 4 HE ARG 4 20.146 -2.930 0.768
31 HH11 ARG 4 HH21 ARG 4 18.742 -5.279 -1.352
32 HH12 ARG 4 HH22 ARG 4 20.193 -5.532 -2.260
33 HH21 ARG 4 HH11 ARG 4 22.055 -3.257 -0.422
34 HH22 ARG 4 HH12 ARG 4 22.069 -4.387 -1.734
35 H LEU 5 HN LEU 5 13.944 -3.358 0.744
36 HA LEU 5 HA LEU 5 11.552 -1.636 0.610
37 HB2 LEU 5 HB2 LEU 5 11.146 -2.933 -1.665
38 HB3 LEU 5 HB1 LEU 5 12.097 -1.449 -1.630
39 HG LEU 5 HG LEU 5 13.611 -3.961 -1.117
40 HD11 LEU 5 HD11 LEU 5 13.780 -4.265 -3.666
41 HD12 LEU 5 HD12 LEU 5 12.297 -3.316 -3.759
42 HD13 LEU 5 HD13 LEU 5 12.310 -4.851 -2.890
43 HD21 LEU 5 HD21 LEU 5 14.485 -1.533 -1.350
44 HD22 LEU 5 HD22 LEU 5 14.197 -1.736 -3.077
45 HD23 LEU 5 HD23 LEU 5 15.339 -2.791 -2.244
46 H CYS 6 HN CYS 6 9.935 -2.624 1.636
47 HA CYS 6 HA CYS 6 9.893 -5.583 1.694
48 HB2 CYS 6 HB2 CYS 6 8.659 -3.809 3.786
49 HB3 CYS 6 HB1 CYS 6 9.012 -5.529 3.886
50 H TYR 7 HN TYR 7 8.445 -6.176 0.201
51 HA TYR 7 HA TYR 7 6.032 -4.652 -0.286
52 HB2 TYR 7 HB2 TYR 7 7.141 -7.235 -1.383
53 HB3 TYR 7 HB1 TYR 7 5.533 -6.644 -1.812
54 HD1 TYR 7 HD2 TYR 7 9.139 -5.720 -1.769
55 HD2 TYR 7 HD1 TYR 7 5.250 -4.910 -3.396
56 HE1 TYR 7 HE2 TYR 7 10.149 -4.156 -3.398
57 HE2 TYR 7 HE1 TYR 7 6.255 -3.344 -5.026
58 HH TYR 7 HH TYR 7 9.460 -3.267 -5.764
59 H CYS 8 HN CYS 8 3.962 -5.189 0.335
60 HA CYS 8 HA CYS 8 3.461 -7.693 1.737
61 HB2 CYS 8 HB2 CYS 8 3.603 -5.040 3.097
62 HB3 CYS 8 HB1 CYS 8 2.348 -6.169 3.607
63 H ARG 9 HN ARG 9 1.706 -8.415 0.782
64 HA ARG 9 HA ARG 9 -0.606 -6.621 0.475
65 HB2 ARG 9 HB2 ARG 9 0.874 -7.166 -1.695
66 HB3 ARG 9 HB1 ARG 9 -0.109 -8.628 -1.681
67 HG2 ARG 9 HG2 ARG 9 -1.522 -7.277 -2.901
68 HG3 ARG 9 HG1 ARG 9 -2.074 -6.835 -1.286
69 HD2 ARG 9 HD2 ARG 9 -0.130 -5.335 -3.052
70 HD3 ARG 9 HD1 ARG 9 -1.693 -4.783 -2.458
71 HE ARG 9 HE ARG 9 0.296 -5.409 -0.415
72 HH11 ARG 9 HH21 ARG 9 -1.241 -3.055 -2.435
73 HH12 ARG 9 HH22 ARG 9 -0.802 -1.710 -1.436
74 HH21 ARG 9 HH11 ARG 9 0.876 -3.649 0.897
75 HH22 ARG 9 HH12 ARG 9 0.396 -2.046 0.449
76 H ARG 10 HN ARG 10 -2.135 -7.492 1.717
77 HA ARG 10 HA ARG 10 -3.547 -9.023 2.678
78 HB2 ARG 10 HB2 ARG 10 -3.790 -9.638 0.199
79 HB3 ARG 10 HB1 ARG 10 -2.687 -10.971 0.540
80 HG2 ARG 10 HG2 ARG 10 -4.718 -12.018 0.939
81 HG3 ARG 10 HG1 ARG 10 -4.365 -11.409 2.555
82 HD2 ARG 10 HD2 ARG 10 -6.616 -10.772 2.128
83 HD3 ARG 10 HD1 ARG 10 -5.668 -9.309 1.887
84 HE ARG 10 HE ARG 10 -5.774 -10.373 -0.610
85 HH11 ARG 10 HH21 ARG 10 -8.129 -9.713 1.838
86 HH12 ARG 10 HH22 ARG 10 -9.413 -9.404 0.717
87 HH21 ARG 10 HH11 ARG 10 -7.452 -9.968 -2.088
88 HH22 ARG 10 HH12 ARG 10 -9.029 -9.549 -1.507
89 H ARG 11 HN ARG 11 -2.549 -12.017 1.989
90 HA ARG 11 HA ARG 11 -1.137 -12.276 4.527
91 HB2 ARG 11 HB2 ARG 11 -1.404 -14.692 4.162
92 HB3 ARG 11 HB1 ARG 11 -2.945 -13.852 3.991
93 HG2 ARG 11 HG2 ARG 11 -2.474 -13.760 1.487
94 HG3 ARG 11 HG1 ARG 11 -1.146 -14.883 1.787
95 HD2 ARG 11 HD2 ARG 11 -4.095 -15.338 1.984
96 HD3 ARG 11 HD1 ARG 11 -2.839 -16.395 1.342
97 HE ARG 11 HE ARG 11 -2.726 -15.938 4.215
98 HH11 ARG 11 HH21 ARG 11 -3.871 -17.868 1.581
99 HH12 ARG 11 HH22 ARG 11 -4.109 -19.289 2.543
100 HH21 ARG 11 HH11 ARG 11 -3.035 -17.800 5.484
101 HH22 ARG 11 HH12 ARG 11 -3.637 -19.249 4.752
102 H PHE 12 HN PHE 12 0.025 -11.153 1.889
103 HA PHE 12 HA PHE 12 2.373 -12.956 1.732
104 HB2 PHE 12 HB2 PHE 12 0.983 -12.541 -0.375
105 HB3 PHE 12 HB1 PHE 12 1.595 -10.887 -0.323
106 HD1 PHE 12 HD2 PHE 12 2.714 -14.456 -0.323
107 HD2 PHE 12 HD1 PHE 12 3.724 -10.373 -1.196
108 HE1 PHE 12 HE2 PHE 12 4.826 -15.205 -1.382
109 HE2 PHE 12 HE1 PHE 12 5.836 -11.123 -2.256
110 HZ PHE 12 HZ PHE 12 6.387 -13.539 -2.351
111 H CYS 13 HN CYS 13 4.381 -12.145 2.104
112 HA CYS 13 HA CYS 13 4.874 -9.299 2.223
113 HB2 CYS 13 HB2 CYS 13 4.559 -10.948 4.695
114 HB3 CYS 13 HB1 CYS 13 5.805 -9.698 4.671
115 H VAL 14 HN VAL 14 7.021 -8.800 2.003
116 HA VAL 14 HA VAL 14 9.125 -10.668 2.550
117 HB VAL 14 HB VAL 14 8.213 -11.725 0.521
118 HG11 VAL 14 HG11 VAL 14 7.284 -9.563 -0.407
119 HG12 VAL 14 HG12 VAL 14 8.152 -10.549 -1.585
120 HG13 VAL 14 HG13 VAL 14 8.929 -9.132 -0.876
121 HG21 VAL 14 HG21 VAL 14 10.694 -11.653 1.014
122 HG22 VAL 14 HG22 VAL 14 10.810 -10.280 -0.085
123 HG23 VAL 14 HG23 VAL 14 10.301 -11.854 -0.693
124 H CYS 15 HN CYS 15 11.183 -9.762 2.277
125 HA CYS 15 HA CYS 15 11.390 -7.069 1.167
126 HB2 CYS 15 HB2 CYS 15 10.725 -7.022 3.686
127 HB3 CYS 15 HB1 CYS 15 12.398 -7.505 3.962
128 H VAL 16 HN VAL 16 13.563 -6.351 0.876
129 HA VAL 16 HA VAL 16 15.706 -6.702 0.118
130 HB VAL 16 HB VAL 16 15.822 -8.626 2.453
131 HG11 VAL 16 HG11 VAL 16 18.231 -7.880 2.440
132 HG12 VAL 16 HG12 VAL 16 17.911 -7.060 0.911
133 HG13 VAL 16 HG13 VAL 16 17.763 -8.814 1.020
134 HG21 VAL 16 HG21 VAL 16 14.941 -6.271 2.946
135 HG22 VAL 16 HG22 VAL 16 16.525 -5.679 2.442
136 HG23 VAL 16 HG23 VAL 16 16.387 -6.752 3.834
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 23.769 3.900 -4.176
2 H2 ARG 1 HT2 ARG 1 22.823 4.927 -5.144
3 H3 ARG 1 HT3 ARG 1 22.552 3.249 -5.161
4 HA ARG 1 HA ARG 1 22.372 4.343 -2.526
5 HB2 ARG 1 HB2 ARG 1 21.560 6.229 -4.128
6 HB3 ARG 1 HB1 ARG 1 20.180 5.171 -4.423
7 HG2 ARG 1 HG2 ARG 1 19.953 5.036 -1.862
8 HG3 ARG 1 HG1 ARG 1 21.055 6.411 -1.812
9 HD2 ARG 1 HD2 ARG 1 18.280 6.263 -2.954
10 HD3 ARG 1 HD1 ARG 1 18.956 7.449 -1.841
11 HE ARG 1 HE ARG 1 20.356 7.592 -4.290
12 HH11 ARG 1 HH21 ARG 1 17.250 8.213 -2.898
13 HH12 ARG 1 HH22 ARG 1 16.862 9.495 -3.996
14 HH21 ARG 1 HH11 ARG 1 19.854 9.273 -5.733
15 HH22 ARG 1 HH12 ARG 1 18.336 10.095 -5.601
16 H GLY 2 HN GLY 2 20.824 3.154 -1.382
17 HA2 GLY 2 HA2 GLY 2 18.969 1.394 -2.701
18 HA3 GLY 2 HA1 GLY 2 20.355 0.541 -2.032
19 H GLY 3 HN GLY 3 18.532 -0.467 -0.763
20 HA2 GLY 3 HA2 GLY 3 18.619 0.109 1.898
21 HA3 GLY 3 HA1 GLY 3 17.292 1.110 1.310
22 H ARG 4 HN ARG 4 17.491 -1.393 3.059
23 HA ARG 4 HA ARG 4 16.095 -3.435 1.571
24 HB2 ARG 4 HB2 ARG 4 15.839 -4.468 3.871
25 HB3 ARG 4 HB1 ARG 4 17.501 -4.188 3.350
26 HG2 ARG 4 HG2 ARG 4 17.672 -2.201 4.692
27 HG3 ARG 4 HG1 ARG 4 15.943 -2.218 5.041
28 HD2 ARG 4 HD2 ARG 4 16.158 -4.248 6.335
29 HD3 ARG 4 HD1 ARG 4 17.843 -4.432 5.856
30 HE ARG 4 HE ARG 4 17.444 -1.925 7.152
31 HH11 ARG 4 HH21 ARG 4 17.655 -5.338 7.693
32 HH12 ARG 4 HH22 ARG 4 18.245 -5.183 9.316
33 HH21 ARG 4 HH11 ARG 4 18.216 -1.716 9.279
34 HH22 ARG 4 HH12 ARG 4 18.562 -3.133 10.213
35 H LEU 5 HN LEU 5 13.948 -4.145 1.970
36 HA LEU 5 HA LEU 5 12.147 -2.541 3.557
37 HB2 LEU 5 HB2 LEU 5 10.693 -1.931 1.622
38 HB3 LEU 5 HB1 LEU 5 12.243 -1.095 1.624
39 HG LEU 5 HG LEU 5 12.048 -3.703 0.149
40 HD11 LEU 5 HD11 LEU 5 10.078 -2.641 -0.689
41 HD12 LEU 5 HD12 LEU 5 11.338 -2.344 -1.887
42 HD13 LEU 5 HD13 LEU 5 10.874 -1.067 -0.762
43 HD21 LEU 5 HD21 LEU 5 13.543 -1.086 -0.202
44 HD22 LEU 5 HD22 LEU 5 13.566 -2.372 -1.407
45 HD23 LEU 5 HD23 LEU 5 14.217 -2.665 0.202
46 H CYS 6 HN CYS 6 10.032 -3.452 3.691
47 HA CYS 6 HA CYS 6 9.922 -6.270 2.788
48 HB2 CYS 6 HB2 CYS 6 8.904 -4.963 5.306
49 HB3 CYS 6 HB1 CYS 6 8.379 -6.562 4.784
50 H TYR 7 HN TYR 7 8.763 -6.119 0.949
51 HA TYR 7 HA TYR 7 6.506 -4.433 0.571
52 HB2 TYR 7 HB2 TYR 7 7.582 -6.857 -0.855
53 HB3 TYR 7 HB1 TYR 7 6.040 -6.142 -1.325
54 HD1 TYR 7 HD1 TYR 7 6.099 -3.477 -1.519
55 HD2 TYR 7 HD2 TYR 7 9.502 -6.066 -1.909
56 HE1 TYR 7 HE1 TYR 7 7.290 -1.717 -2.786
57 HE2 TYR 7 HE2 TYR 7 10.695 -4.307 -3.176
58 HH TYR 7 HH TYR 7 10.507 -2.315 -4.183
59 H CYS 8 HN CYS 8 4.737 -4.613 1.827
60 HA CYS 8 HA CYS 8 3.771 -7.316 2.528
61 HB2 CYS 8 HB2 CYS 8 3.578 -4.653 3.885
62 HB3 CYS 8 HB1 CYS 8 2.356 -5.883 4.202
63 H ARG 9 HN ARG 9 1.952 -8.042 1.660
64 HA ARG 9 HA ARG 9 -0.261 -6.351 1.003
65 HB2 ARG 9 HB2 ARG 9 1.753 -6.797 -1.023
66 HB3 ARG 9 HB1 ARG 9 0.233 -7.529 -1.523
67 HG2 ARG 9 HG2 ARG 9 0.420 -4.693 -0.474
68 HG3 ARG 9 HG1 ARG 9 0.550 -5.088 -2.186
69 HD2 ARG 9 HD2 ARG 9 -1.819 -5.557 -0.361
70 HD3 ARG 9 HD1 ARG 9 -1.743 -4.519 -1.779
71 HE ARG 9 HE ARG 9 -1.265 -7.372 -2.218
72 HH11 ARG 9 HH21 ARG 9 -3.420 -4.660 -2.293
73 HH12 ARG 9 HH22 ARG 9 -4.526 -5.398 -3.404
74 HH21 ARG 9 HH11 ARG 9 -2.711 -8.340 -3.672
75 HH22 ARG 9 HH12 ARG 9 -4.124 -7.479 -4.184
76 H ARG 10 HN ARG 10 -1.940 -7.699 -0.289
77 HA ARG 10 HA ARG 10 -3.390 -9.484 -0.084
78 HB2 ARG 10 HB2 ARG 10 -1.625 -10.178 -1.804
79 HB3 ARG 10 HB1 ARG 10 -0.920 -11.160 -0.523
80 HG2 ARG 10 HG2 ARG 10 -3.299 -12.123 -0.213
81 HG3 ARG 10 HG1 ARG 10 -3.651 -11.404 -1.783
82 HD2 ARG 10 HD2 ARG 10 -1.291 -12.671 -2.326
83 HD3 ARG 10 HD1 ARG 10 -1.980 -13.757 -1.122
84 HE ARG 10 HE ARG 10 -3.620 -14.349 -2.665
85 HH11 ARG 10 HH21 ARG 10 -1.920 -11.499 -3.653
86 HH12 ARG 10 HH22 ARG 10 -2.634 -11.453 -5.231
87 HH21 ARG 10 HH11 ARG 10 -4.558 -14.295 -4.735
88 HH22 ARG 10 HH12 ARG 10 -4.127 -13.037 -5.842
89 H ARG 11 HN ARG 11 -1.529 -12.049 0.818
90 HA ARG 11 HA ARG 11 -2.090 -11.641 3.700
91 HB2 ARG 11 HB2 ARG 11 -2.461 -14.133 3.767
92 HB3 ARG 11 HB1 ARG 11 -3.689 -13.226 2.888
93 HG2 ARG 11 HG2 ARG 11 -3.125 -14.161 0.882
94 HG3 ARG 11 HG1 ARG 11 -1.399 -14.093 1.227
95 HD2 ARG 11 HD2 ARG 11 -3.209 -16.068 2.615
96 HD3 ARG 11 HD1 ARG 11 -2.471 -16.428 1.056
97 HE ARG 11 HE ARG 11 -0.625 -15.534 3.124
98 HH11 ARG 11 HH21 ARG 11 -2.198 -18.161 1.509
99 HH12 ARG 11 HH22 ARG 11 -1.003 -19.332 1.957
100 HH21 ARG 11 HH11 ARG 11 0.946 -17.064 3.714
101 HH22 ARG 11 HH12 ARG 11 0.776 -18.711 3.205
102 H PHE 12 HN PHE 12 0.398 -10.996 2.500
103 HA PHE 12 HA PHE 12 2.158 -12.463 4.173
104 HB2 PHE 12 HB2 PHE 12 3.346 -13.820 2.691
105 HB3 PHE 12 HB1 PHE 12 1.678 -14.057 2.175
106 HD1 PHE 12 HD1 PHE 12 0.957 -11.840 0.569
107 HD2 PHE 12 HD2 PHE 12 4.799 -13.734 0.868
108 HE1 PHE 12 HE1 PHE 12 1.536 -11.019 -1.695
109 HE2 PHE 12 HE2 PHE 12 5.379 -12.911 -1.397
110 HZ PHE 12 HZ PHE 12 3.748 -11.554 -2.679
111 H CYS 13 HN CYS 13 4.542 -11.964 3.497
112 HA CYS 13 HA CYS 13 4.743 -9.303 2.258
113 HB2 CYS 13 HB2 CYS 13 5.812 -10.057 4.987
114 HB3 CYS 13 HB1 CYS 13 6.259 -8.592 4.115
115 H VAL 14 HN VAL 14 6.991 -8.712 1.737
116 HA VAL 14 HA VAL 14 8.825 -11.012 1.515
117 HB VAL 14 HB VAL 14 8.079 -9.192 -0.787
118 HG11 VAL 14 HG11 VAL 14 10.043 -11.477 -0.481
119 HG12 VAL 14 HG12 VAL 14 10.389 -9.818 -0.973
120 HG13 VAL 14 HG13 VAL 14 9.492 -10.889 -2.051
121 HG21 VAL 14 HG21 VAL 14 6.314 -10.826 -0.289
122 HG22 VAL 14 HG22 VAL 14 7.504 -12.128 -0.262
123 HG23 VAL 14 HG23 VAL 14 7.157 -11.282 -1.770
124 H CYS 15 HN CYS 15 10.741 -10.449 2.307
125 HA CYS 15 HA CYS 15 11.532 -7.598 2.233
126 HB2 CYS 15 HB2 CYS 15 12.508 -9.745 4.123
127 HB3 CYS 15 HB1 CYS 15 12.852 -8.018 4.212
128 H VAL 16 HN VAL 16 13.360 -7.015 1.242
129 HA VAL 16 HA VAL 16 14.911 -9.128 -0.099
130 HB VAL 16 HB VAL 16 15.851 -7.213 -1.411
131 HG11 VAL 16 HG11 VAL 16 12.825 -7.201 -1.396
132 HG12 VAL 16 HG12 VAL 16 13.768 -8.544 -2.045
133 HG13 VAL 16 HG13 VAL 16 13.899 -6.942 -2.772
134 HG21 VAL 16 HG21 VAL 16 15.507 -5.483 0.341
135 HG22 VAL 16 HG22 VAL 16 13.763 -5.633 0.128
136 HG23 VAL 16 HG23 VAL 16 14.764 -5.018 -1.188
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 16.800 6.922 4.995
2 H2 ARG 1 HT2 ARG 1 16.820 8.513 4.397
3 H3 ARG 1 HT3 ARG 1 17.936 8.035 5.584
4 HA ARG 1 HA ARG 1 17.896 7.433 2.712
5 HB2 ARG 1 HB2 ARG 1 19.350 9.214 3.481
6 HB3 ARG 1 HB1 ARG 1 20.010 8.183 4.750
7 HG2 ARG 1 HG2 ARG 1 21.142 6.795 3.196
8 HG3 ARG 1 HG1 ARG 1 20.201 7.412 1.836
9 HD2 ARG 1 HD2 ARG 1 22.660 8.287 2.252
10 HD3 ARG 1 HD1 ARG 1 21.398 9.398 1.726
11 HE ARG 1 HE ARG 1 21.565 10.458 3.779
12 HH11 ARG 1 HH21 ARG 1 22.950 7.290 3.915
13 HH12 ARG 1 HH22 ARG 1 23.573 7.480 5.519
14 HH21 ARG 1 HH11 ARG 1 22.379 10.716 5.884
15 HH22 ARG 1 HH12 ARG 1 23.248 9.421 6.635
16 H GLY 2 HN GLY 2 18.223 5.422 1.996
17 HA2 GLY 2 HA2 GLY 2 19.056 3.252 1.907
18 HA3 GLY 2 HA1 GLY 2 19.817 3.510 3.474
19 H GLY 3 HN GLY 3 19.115 1.576 4.375
20 HA2 GLY 3 HA2 GLY 3 17.638 0.552 5.888
21 HA3 GLY 3 HA1 GLY 3 16.339 1.578 5.289
22 H ARG 4 HN ARG 4 15.740 -1.013 5.647
23 HA ARG 4 HA ARG 4 16.171 -2.558 3.237
24 HB2 ARG 4 HB2 ARG 4 14.527 -4.131 4.360
25 HB3 ARG 4 HB1 ARG 4 16.007 -3.811 5.263
26 HG2 ARG 4 HG2 ARG 4 14.900 -2.284 6.726
27 HG3 ARG 4 HG1 ARG 4 13.473 -2.217 5.692
28 HD2 ARG 4 HD2 ARG 4 12.982 -3.650 7.589
29 HD3 ARG 4 HD1 ARG 4 13.094 -4.649 6.144
30 HE ARG 4 HE ARG 4 15.009 -4.573 8.364
31 HH11 ARG 4 HH21 ARG 4 14.135 -5.684 5.200
32 HH12 ARG 4 HH22 ARG 4 15.264 -6.998 5.203
33 HH21 ARG 4 HH11 ARG 4 16.486 -6.293 8.368
34 HH22 ARG 4 HH12 ARG 4 16.595 -7.342 6.994
35 H LEU 5 HN LEU 5 13.960 -3.697 2.484
36 HA LEU 5 HA LEU 5 11.743 -1.841 2.232
37 HB2 LEU 5 HB2 LEU 5 13.083 -0.940 0.464
38 HB3 LEU 5 HB1 LEU 5 13.514 -2.549 -0.117
39 HG LEU 5 HG LEU 5 11.256 -2.972 -0.854
40 HD11 LEU 5 HD11 LEU 5 9.880 -2.020 0.816
41 HD12 LEU 5 HD12 LEU 5 9.578 -1.006 -0.594
42 HD13 LEU 5 HD13 LEU 5 10.656 -0.443 0.682
43 HD21 LEU 5 HD21 LEU 5 10.986 -1.205 -2.531
44 HD22 LEU 5 HD22 LEU 5 12.697 -1.580 -2.334
45 HD23 LEU 5 HD23 LEU 5 12.022 -0.129 -1.593
46 H CYS 6 HN CYS 6 10.362 -3.380 3.020
47 HA CYS 6 HA CYS 6 10.256 -5.955 1.577
48 HB2 CYS 6 HB2 CYS 6 8.990 -5.387 4.253
49 HB3 CYS 6 HB1 CYS 6 9.343 -6.951 3.522
50 H TYR 7 HN TYR 7 8.588 -6.389 0.335
51 HA TYR 7 HA TYR 7 6.359 -4.520 0.201
52 HB2 TYR 7 HB2 TYR 7 7.177 -6.911 -1.450
53 HB3 TYR 7 HB1 TYR 7 5.670 -6.031 -1.718
54 HD1 TYR 7 HD2 TYR 7 5.686 -3.687 -2.442
55 HD2 TYR 7 HD1 TYR 7 9.323 -5.910 -1.947
56 HE1 TYR 7 HE2 TYR 7 6.917 -1.947 -3.697
57 HE2 TYR 7 HE1 TYR 7 10.561 -4.172 -3.196
58 HH TYR 7 HH TYR 7 9.394 -1.137 -3.774
59 H CYS 8 HN CYS 8 4.224 -5.028 0.649
60 HA CYS 8 HA CYS 8 3.648 -7.689 1.779
61 HB2 CYS 8 HB2 CYS 8 3.988 -5.358 3.331
62 HB3 CYS 8 HB1 CYS 8 2.248 -5.634 3.258
63 H ARG 9 HN ARG 9 1.715 -8.492 1.222
64 HA ARG 9 HA ARG 9 -0.431 -6.752 0.308
65 HB2 ARG 9 HB2 ARG 9 1.061 -7.213 -1.691
66 HB3 ARG 9 HB1 ARG 9 0.614 -8.908 -1.529
67 HG2 ARG 9 HG2 ARG 9 -0.958 -8.105 -3.081
68 HG3 ARG 9 HG1 ARG 9 -1.838 -8.038 -1.556
69 HD2 ARG 9 HD2 ARG 9 -2.051 -5.959 -2.964
70 HD3 ARG 9 HD1 ARG 9 -1.435 -5.670 -1.343
71 HE ARG 9 HE ARG 9 0.811 -6.018 -2.903
72 HH11 ARG 9 HH21 ARG 9 -1.984 -3.978 -2.912
73 HH12 ARG 9 HH22 ARG 9 -1.173 -2.637 -3.649
74 HH21 ARG 9 HH11 ARG 9 1.882 -4.263 -3.868
75 HH22 ARG 9 HH12 ARG 9 1.017 -2.798 -4.190
76 H ARG 10 HN ARG 10 -2.396 -7.608 0.739
77 HA ARG 10 HA ARG 10 -3.955 -9.036 1.642
78 HB2 ARG 10 HB2 ARG 10 -2.283 -10.862 -0.072
79 HB3 ARG 10 HB1 ARG 10 -3.640 -11.488 0.866
80 HG2 ARG 10 HG2 ARG 10 -5.148 -9.867 -0.223
81 HG3 ARG 10 HG1 ARG 10 -3.793 -9.241 -1.167
82 HD2 ARG 10 HD2 ARG 10 -3.564 -11.253 -2.387
83 HD3 ARG 10 HD1 ARG 10 -4.521 -12.168 -1.226
84 HE ARG 10 HE ARG 10 -5.531 -10.596 -3.419
85 HH11 ARG 10 HH21 ARG 10 -6.146 -11.816 -0.240
86 HH12 ARG 10 HH22 ARG 10 -7.868 -11.788 -0.412
87 HH21 ARG 10 HH11 ARG 10 -7.790 -10.558 -3.653
88 HH22 ARG 10 HH12 ARG 10 -8.800 -11.075 -2.344
89 H ARG 11 HN ARG 11 -1.899 -11.776 1.730
90 HA ARG 11 HA ARG 11 -1.327 -11.361 4.604
91 HB2 ARG 11 HB2 ARG 11 -1.890 -13.740 4.995
92 HB3 ARG 11 HB1 ARG 11 -3.283 -12.814 4.436
93 HG2 ARG 11 HG2 ARG 11 -2.437 -13.600 2.044
94 HG3 ARG 11 HG1 ARG 11 -1.676 -14.886 2.980
95 HD2 ARG 11 HD2 ARG 11 -3.836 -15.705 2.363
96 HD3 ARG 11 HD1 ARG 11 -3.943 -15.272 4.068
97 HE ARG 11 HE ARG 11 -4.766 -13.001 2.848
98 HH11 ARG 11 HH21 ARG 11 -5.567 -16.345 2.461
99 HH12 ARG 11 HH22 ARG 11 -7.194 -16.040 1.954
100 HH21 ARG 11 HH11 ARG 11 -6.899 -12.591 2.181
101 HH22 ARG 11 HH12 ARG 11 -7.950 -13.914 1.795
102 H PHE 12 HN PHE 12 0.431 -10.953 2.396
103 HA PHE 12 HA PHE 12 2.468 -12.983 3.040
104 HB2 PHE 12 HB2 PHE 12 1.180 -12.624 0.475
105 HB3 PHE 12 HB1 PHE 12 2.898 -12.255 0.340
106 HD1 PHE 12 HD2 PHE 12 0.418 -14.852 1.212
107 HD2 PHE 12 HD1 PHE 12 4.587 -13.958 0.697
108 HE1 PHE 12 HE2 PHE 12 0.943 -17.276 1.254
109 HE2 PHE 12 HE1 PHE 12 5.112 -16.383 0.739
110 HZ PHE 12 HZ PHE 12 3.289 -18.040 1.017
111 H CYS 13 HN CYS 13 4.625 -12.236 2.860
112 HA CYS 13 HA CYS 13 5.075 -9.434 2.201
113 HB2 CYS 13 HB2 CYS 13 4.511 -10.088 4.834
114 HB3 CYS 13 HB1 CYS 13 6.273 -10.066 4.798
115 H VAL 14 HN VAL 14 7.140 -9.027 1.534
116 HA VAL 14 HA VAL 14 9.174 -11.130 1.927
117 HB VAL 14 HB VAL 14 8.591 -9.880 -0.765
118 HG11 VAL 14 HG11 VAL 14 10.915 -10.567 -0.457
119 HG12 VAL 14 HG12 VAL 14 10.110 -11.708 -1.535
120 HG13 VAL 14 HG13 VAL 14 10.398 -12.139 0.152
121 HG21 VAL 14 HG21 VAL 14 7.910 -12.641 0.302
122 HG22 VAL 14 HG22 VAL 14 7.695 -12.112 -1.366
123 HG23 VAL 14 HG23 VAL 14 6.749 -11.369 -0.077
124 H CYS 15 HN CYS 15 11.106 -10.317 2.453
125 HA CYS 15 HA CYS 15 11.478 -7.414 2.331
126 HB2 CYS 15 HB2 CYS 15 12.752 -9.633 3.891
127 HB3 CYS 15 HB1 CYS 15 13.589 -8.092 3.708
128 H VAL 16 HN VAL 16 13.206 -6.414 1.323
129 HA VAL 16 HA VAL 16 14.571 -6.122 -0.528
130 HB VAL 16 HB VAL 16 15.935 -8.563 0.619
131 HG11 VAL 16 HG11 VAL 16 16.920 -6.107 -0.867
132 HG12 VAL 16 HG12 VAL 16 16.862 -7.753 -1.496
133 HG13 VAL 16 HG13 VAL 16 17.965 -7.353 -0.179
134 HG21 VAL 16 HG21 VAL 16 15.534 -7.130 2.490
135 HG22 VAL 16 HG22 VAL 16 15.878 -5.682 1.546
136 HG23 VAL 16 HG23 VAL 16 17.185 -6.784 1.974
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 21.928 -3.859 -2.305
2 H2 ARG 1 HT2 ARG 1 20.972 -2.575 -1.736
3 H3 ARG 1 HT3 ARG 1 20.853 -4.111 -1.018
4 HA ARG 1 HA ARG 1 22.625 -3.808 0.284
5 HB2 ARG 1 HB2 ARG 1 24.013 -3.846 -1.879
6 HB3 ARG 1 HB1 ARG 1 23.955 -2.085 -1.813
7 HG2 ARG 1 HG2 ARG 1 25.907 -2.452 -0.619
8 HG3 ARG 1 HG1 ARG 1 24.740 -2.500 0.702
9 HD2 ARG 1 HD2 ARG 1 26.000 -4.447 1.057
10 HD3 ARG 1 HD1 ARG 1 24.599 -5.048 0.177
11 HE ARG 1 HE ARG 1 25.995 -5.523 -1.627
12 HH11 ARG 1 HH21 ARG 1 27.565 -3.487 0.689
13 HH12 ARG 1 HH22 ARG 1 29.126 -3.611 -0.054
14 HH21 ARG 1 HH11 ARG 1 28.039 -5.689 -2.607
15 HH22 ARG 1 HH12 ARG 1 29.393 -4.856 -1.920
16 H GLY 2 HN GLY 2 22.635 -2.414 1.959
17 HA2 GLY 2 HA2 GLY 2 22.077 -0.569 3.220
18 HA3 GLY 2 HA1 GLY 2 22.838 0.343 1.921
19 H GLY 3 HN GLY 3 19.854 -1.604 2.039
20 HA2 GLY 3 HA2 GLY 3 18.084 0.623 1.974
21 HA3 GLY 3 HA1 GLY 3 18.330 -0.010 0.349
22 H ARG 4 HN ARG 4 16.796 -0.491 3.393
23 HA ARG 4 HA ARG 4 15.917 -3.204 2.734
24 HB2 ARG 4 HB2 ARG 4 15.366 -1.452 5.140
25 HB3 ARG 4 HB1 ARG 4 14.831 -3.122 4.956
26 HG2 ARG 4 HG2 ARG 4 17.239 -3.785 4.646
27 HG3 ARG 4 HG1 ARG 4 17.691 -2.129 5.053
28 HD2 ARG 4 HD2 ARG 4 17.845 -3.317 7.099
29 HD3 ARG 4 HD1 ARG 4 16.318 -2.446 7.197
30 HE ARG 4 HE ARG 4 16.649 -5.343 6.803
31 HH11 ARG 4 HH21 ARG 4 14.610 -2.558 7.118
32 HH12 ARG 4 HH22 ARG 4 13.178 -3.477 7.438
33 HH21 ARG 4 HH11 ARG 4 14.774 -6.546 7.217
34 HH22 ARG 4 HH12 ARG 4 13.270 -5.731 7.493
35 H LEU 5 HN LEU 5 13.970 -3.696 1.921
36 HA LEU 5 HA LEU 5 11.750 -1.807 2.107
37 HB2 LEU 5 HB2 LEU 5 11.392 -2.097 -0.431
38 HB3 LEU 5 HB1 LEU 5 12.631 -0.957 0.093
39 HG LEU 5 HG LEU 5 13.603 -3.734 -0.224
40 HD11 LEU 5 HD11 LEU 5 13.750 -3.351 -2.769
41 HD12 LEU 5 HD12 LEU 5 12.455 -2.174 -2.540
42 HD13 LEU 5 HD13 LEU 5 12.193 -3.867 -2.122
43 HD21 LEU 5 HD21 LEU 5 14.569 -1.119 -1.420
44 HD22 LEU 5 HD22 LEU 5 15.500 -2.600 -1.204
45 HD23 LEU 5 HD23 LEU 5 14.995 -1.666 0.201
46 H CYS 6 HN CYS 6 10.225 -3.106 2.933
47 HA CYS 6 HA CYS 6 9.952 -5.830 1.813
48 HB2 CYS 6 HB2 CYS 6 9.087 -4.808 4.525
49 HB3 CYS 6 HB1 CYS 6 8.906 -6.460 3.935
50 H TYR 7 HN TYR 7 8.229 -6.224 0.630
51 HA TYR 7 HA TYR 7 5.985 -4.326 0.685
52 HB2 TYR 7 HB2 TYR 7 6.781 -6.476 -1.284
53 HB3 TYR 7 HB1 TYR 7 5.313 -5.503 -1.420
54 HD1 TYR 7 HD2 TYR 7 5.607 -2.928 -1.261
55 HD2 TYR 7 HD1 TYR 7 8.790 -5.657 -2.170
56 HE1 TYR 7 HE2 TYR 7 6.914 -1.071 -2.237
57 HE2 TYR 7 HE1 TYR 7 10.104 -3.804 -3.143
58 HH TYR 7 HH TYR 7 10.170 -1.234 -2.843
59 H CYS 8 HN CYS 8 3.945 -4.908 1.293
60 HA CYS 8 HA CYS 8 3.558 -7.701 2.185
61 HB2 CYS 8 HB2 CYS 8 2.976 -5.113 3.510
62 HB3 CYS 8 HB1 CYS 8 1.762 -6.379 3.694
63 H ARG 9 HN ARG 9 2.241 -8.729 0.877
64 HA ARG 9 HA ARG 9 -0.008 -7.262 -0.363
65 HB2 ARG 9 HB2 ARG 9 1.442 -8.182 -2.047
66 HB3 ARG 9 HB1 ARG 9 1.493 -9.744 -1.232
67 HG2 ARG 9 HG2 ARG 9 -0.060 -9.680 -3.212
68 HG3 ARG 9 HG1 ARG 9 -0.851 -10.139 -1.706
69 HD2 ARG 9 HD2 ARG 9 -2.006 -8.361 -3.206
70 HD3 ARG 9 HD1 ARG 9 -1.902 -8.050 -1.477
71 HE ARG 9 HE ARG 9 -0.555 -6.237 -1.967
72 HH11 ARG 9 HH21 ARG 9 -0.543 -8.502 -4.583
73 HH12 ARG 9 HH22 ARG 9 0.416 -7.505 -5.625
74 HH21 ARG 9 HH11 ARG 9 0.706 -4.924 -3.326
75 HH22 ARG 9 HH12 ARG 9 1.125 -5.481 -4.912
76 H ARG 10 HN ARG 10 -1.615 -7.485 1.122
77 HA ARG 10 HA ARG 10 -3.311 -8.478 2.292
78 HB2 ARG 10 HB2 ARG 10 -3.620 -9.694 0.121
79 HB3 ARG 10 HB1 ARG 10 -2.593 -10.979 0.746
80 HG2 ARG 10 HG2 ARG 10 -4.700 -11.787 1.318
81 HG3 ARG 10 HG1 ARG 10 -4.266 -10.924 2.791
82 HD2 ARG 10 HD2 ARG 10 -6.417 -10.116 2.379
83 HD3 ARG 10 HD1 ARG 10 -5.422 -8.879 1.623
84 HE ARG 10 HE ARG 10 -6.973 -10.958 0.220
85 HH11 ARG 10 HH21 ARG 10 -4.945 -8.143 0.176
86 HH12 ARG 10 HH22 ARG 10 -5.284 -7.763 -1.478
87 HH21 ARG 10 HH11 ARG 10 -7.415 -10.454 -1.944
88 HH22 ARG 10 HH12 ARG 10 -6.679 -9.068 -2.676
89 H ARG 11 HN ARG 11 -1.946 -11.650 2.149
90 HA ARG 11 HA ARG 11 -1.121 -11.387 4.979
91 HB2 ARG 11 HB2 ARG 11 -1.715 -13.677 5.289
92 HB3 ARG 11 HB1 ARG 11 -3.054 -12.915 4.432
93 HG2 ARG 11 HG2 ARG 11 -1.832 -13.706 2.273
94 HG3 ARG 11 HG1 ARG 11 -0.961 -14.794 3.354
95 HD2 ARG 11 HD2 ARG 11 -2.941 -15.921 2.447
96 HD3 ARG 11 HD1 ARG 11 -3.116 -15.682 4.181
97 HE ARG 11 HE ARG 11 -4.678 -13.909 3.735
98 HH11 ARG 11 HH21 ARG 11 -3.588 -15.651 0.936
99 HH12 ARG 11 HH22 ARG 11 -4.909 -15.141 -0.058
100 HH21 ARG 11 HH11 ARG 11 -6.404 -13.245 2.425
101 HH22 ARG 11 HH12 ARG 11 -6.500 -13.781 0.782
102 H PHE 12 HN PHE 12 0.022 -11.927 1.828
103 HA PHE 12 HA PHE 12 2.414 -13.370 2.779
104 HB2 PHE 12 HB2 PHE 12 1.155 -14.224 0.779
105 HB3 PHE 12 HB1 PHE 12 1.607 -12.744 -0.069
106 HD1 PHE 12 HD2 PHE 12 4.068 -12.186 -0.336
107 HD2 PHE 12 HD1 PHE 12 2.690 -16.024 1.008
108 HE1 PHE 12 HE2 PHE 12 6.276 -13.171 -0.886
109 HE2 PHE 12 HE1 PHE 12 4.897 -17.012 0.458
110 HZ PHE 12 HZ PHE 12 6.691 -15.583 -0.490
111 H CYS 13 HN CYS 13 4.127 -12.187 3.306
112 HA CYS 13 HA CYS 13 4.556 -9.604 1.921
113 HB2 CYS 13 HB2 CYS 13 5.330 -10.430 4.728
114 HB3 CYS 13 HB1 CYS 13 5.788 -8.909 3.966
115 H VAL 14 HN VAL 14 6.817 -8.950 1.673
116 HA VAL 14 HA VAL 14 8.793 -11.117 1.743
117 HB VAL 14 HB VAL 14 7.717 -11.301 -0.477
118 HG11 VAL 14 HG11 VAL 14 8.790 -8.507 -0.950
119 HG12 VAL 14 HG12 VAL 14 7.098 -8.852 -0.586
120 HG13 VAL 14 HG13 VAL 14 7.829 -9.484 -2.062
121 HG21 VAL 14 HG21 VAL 14 10.159 -11.770 -0.138
122 HG22 VAL 14 HG22 VAL 14 10.505 -10.110 -0.630
123 HG23 VAL 14 HG23 VAL 14 9.777 -11.237 -1.775
124 H CYS 15 HN CYS 15 10.824 -10.404 2.119
125 HA CYS 15 HA CYS 15 11.220 -7.479 2.261
126 HB2 CYS 15 HB2 CYS 15 12.240 -9.768 3.898
127 HB3 CYS 15 HB1 CYS 15 13.201 -8.293 3.784
128 H VAL 16 HN VAL 16 13.076 -6.546 1.422
129 HA VAL 16 HA VAL 16 14.794 -6.272 -0.072
130 HB VAL 16 HB VAL 16 15.434 -9.170 0.512
131 HG11 VAL 16 HG11 VAL 16 17.729 -8.444 0.021
132 HG12 VAL 16 HG12 VAL 16 17.162 -6.798 -0.260
133 HG13 VAL 16 HG13 VAL 16 16.675 -8.097 -1.349
134 HG21 VAL 16 HG21 VAL 16 16.956 -8.084 2.274
135 HG22 VAL 16 HG22 VAL 16 15.235 -8.132 2.652
136 HG23 VAL 16 HG23 VAL 16 15.969 -6.636 2.078
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 25.430 -1.329 0.703
2 H2 ARG 1 HT2 ARG 1 26.827 -0.696 -0.029
3 H3 ARG 1 HT3 ARG 1 25.454 -1.042 -0.969
4 HA ARG 1 HA ARG 1 26.116 1.346 0.351
5 HB2 ARG 1 HB2 ARG 1 25.155 1.119 -1.913
6 HB3 ARG 1 HB1 ARG 1 23.659 0.503 -1.212
7 HG2 ARG 1 HG2 ARG 1 23.144 2.571 -0.192
8 HG3 ARG 1 HG1 ARG 1 24.796 3.163 -0.358
9 HD2 ARG 1 HD2 ARG 1 22.860 2.653 -2.629
10 HD3 ARG 1 HD1 ARG 1 23.334 4.232 -2.012
11 HE ARG 1 HE ARG 1 25.671 2.857 -2.730
12 HH11 ARG 1 HH21 ARG 1 22.799 4.155 -4.155
13 HH12 ARG 1 HH22 ARG 1 23.542 4.487 -5.684
14 HH21 ARG 1 HH11 ARG 1 26.654 3.290 -4.733
15 HH22 ARG 1 HH12 ARG 1 25.723 3.998 -6.012
16 H GLY 2 HN GLY 2 22.749 0.468 0.262
17 HA2 GLY 2 HA2 GLY 2 22.157 -0.388 2.789
18 HA3 GLY 2 HA1 GLY 2 22.360 1.351 2.971
19 H GLY 3 HN GLY 3 20.142 -1.033 2.389
20 HA2 GLY 3 HA2 GLY 3 17.961 0.679 2.029
21 HA3 GLY 3 HA1 GLY 3 18.444 0.108 0.434
22 H ARG 4 HN ARG 4 16.297 -0.467 2.771
23 HA ARG 4 HA ARG 4 15.953 -3.261 1.960
24 HB2 ARG 4 HB2 ARG 4 16.325 -2.328 4.805
25 HB3 ARG 4 HB1 ARG 4 15.466 -3.820 4.416
26 HG2 ARG 4 HG2 ARG 4 17.444 -4.638 3.182
27 HG3 ARG 4 HG1 ARG 4 18.308 -3.154 3.587
28 HD2 ARG 4 HD2 ARG 4 17.108 -4.884 5.745
29 HD3 ARG 4 HD1 ARG 4 18.702 -5.235 5.083
30 HE ARG 4 HE ARG 4 18.803 -2.568 5.730
31 HH11 ARG 4 HH21 ARG 4 18.012 -5.513 7.364
32 HH12 ARG 4 HH22 ARG 4 18.562 -4.963 8.913
33 HH21 ARG 4 HH11 ARG 4 19.528 -1.840 7.755
34 HH22 ARG 4 HH12 ARG 4 19.420 -2.883 9.134
35 H LEU 5 HN LEU 5 13.919 -3.517 1.343
36 HA LEU 5 HA LEU 5 11.799 -1.952 2.696
37 HB2 LEU 5 HB2 LEU 5 10.712 -2.219 0.264
38 HB3 LEU 5 HB1 LEU 5 11.742 -0.849 0.676
39 HG LEU 5 HG LEU 5 13.078 -3.330 -0.342
40 HD11 LEU 5 HD11 LEU 5 11.365 -3.197 -1.983
41 HD12 LEU 5 HD12 LEU 5 12.742 -2.354 -2.694
42 HD13 LEU 5 HD13 LEU 5 11.406 -1.434 -1.999
43 HD21 LEU 5 HD21 LEU 5 14.175 -1.105 0.429
44 HD22 LEU 5 HD22 LEU 5 13.577 -0.445 -1.093
45 HD23 LEU 5 HD23 LEU 5 14.712 -1.796 -1.101
46 H CYS 6 HN CYS 6 9.796 -3.004 2.924
47 HA CYS 6 HA CYS 6 9.808 -5.894 2.286
48 HB2 CYS 6 HB2 CYS 6 8.941 -4.545 4.841
49 HB3 CYS 6 HB1 CYS 6 8.552 -6.217 4.439
50 H TYR 7 HN TYR 7 8.384 -6.041 0.669
51 HA TYR 7 HA TYR 7 5.996 -4.426 0.551
52 HB2 TYR 7 HB2 TYR 7 7.051 -6.725 -1.094
53 HB3 TYR 7 HB1 TYR 7 5.458 -6.025 -1.377
54 HD1 TYR 7 HD2 TYR 7 5.454 -3.342 -1.395
55 HD2 TYR 7 HD1 TYR 7 8.833 -5.835 -2.303
56 HE1 TYR 7 HE2 TYR 7 6.487 -1.480 -2.652
57 HE2 TYR 7 HE1 TYR 7 9.866 -3.974 -3.562
58 HH TYR 7 HH TYR 7 9.453 -1.129 -3.315
59 H CYS 8 HN CYS 8 3.890 -5.071 0.969
60 HA CYS 8 HA CYS 8 3.451 -7.790 1.987
61 HB2 CYS 8 HB2 CYS 8 3.769 -5.574 3.690
62 HB3 CYS 8 HB1 CYS 8 2.034 -5.886 3.645
63 H ARG 9 HN ARG 9 1.793 -8.615 0.942
64 HA ARG 9 HA ARG 9 -0.513 -6.881 0.292
65 HB2 ARG 9 HB2 ARG 9 0.709 -8.985 -1.514
66 HB3 ARG 9 HB1 ARG 9 -0.749 -8.054 -1.854
67 HG2 ARG 9 HG2 ARG 9 1.233 -6.145 -1.179
68 HG3 ARG 9 HG1 ARG 9 2.024 -7.296 -2.256
69 HD2 ARG 9 HD2 ARG 9 0.986 -5.498 -3.557
70 HD3 ARG 9 HD1 ARG 9 0.176 -7.029 -3.882
71 HE ARG 9 HE ARG 9 -1.745 -6.155 -2.911
72 HH11 ARG 9 HH21 ARG 9 1.037 -4.269 -2.090
73 HH12 ARG 9 HH22 ARG 9 0.128 -3.007 -1.329
74 HH21 ARG 9 HH11 ARG 9 -2.945 -4.503 -1.914
75 HH22 ARG 9 HH12 ARG 9 -2.125 -3.139 -1.229
76 H ARG 10 HN ARG 10 -2.522 -7.853 0.468
77 HA ARG 10 HA ARG 10 -4.044 -9.263 1.477
78 HB2 ARG 10 HB2 ARG 10 -2.284 -11.141 -0.101
79 HB3 ARG 10 HB1 ARG 10 -3.721 -11.699 0.757
80 HG2 ARG 10 HG2 ARG 10 -5.148 -10.245 -0.527
81 HG3 ARG 10 HG1 ARG 10 -3.759 -9.432 -1.249
82 HD2 ARG 10 HD2 ARG 10 -3.168 -11.346 -2.525
83 HD3 ARG 10 HD1 ARG 10 -4.215 -12.398 -1.578
84 HE ARG 10 HE ARG 10 -4.996 -10.792 -3.825
85 HH11 ARG 10 HH21 ARG 10 -6.007 -12.099 -0.785
86 HH12 ARG 10 HH22 ARG 10 -7.688 -12.124 -1.197
87 HH21 ARG 10 HH11 ARG 10 -7.200 -10.825 -4.375
88 HH22 ARG 10 HH12 ARG 10 -8.365 -11.403 -3.230
89 H ARG 11 HN ARG 11 -1.948 -11.957 1.685
90 HA ARG 11 HA ARG 11 -1.349 -11.410 4.526
91 HB2 ARG 11 HB2 ARG 11 -2.611 -13.901 3.367
92 HB3 ARG 11 HB1 ARG 11 -1.863 -13.851 4.960
93 HG2 ARG 11 HG2 ARG 11 -3.983 -13.292 5.630
94 HG3 ARG 11 HG1 ARG 11 -3.479 -11.673 5.152
95 HD2 ARG 11 HD2 ARG 11 -5.679 -12.298 4.182
96 HD3 ARG 11 HD1 ARG 11 -4.472 -11.983 2.940
97 HE ARG 11 HE ARG 11 -4.240 -14.641 3.230
98 HH11 ARG 11 HH21 ARG 11 -6.992 -12.558 2.970
99 HH12 ARG 11 HH22 ARG 11 -7.993 -13.746 2.203
100 HH21 ARG 11 HH11 ARG 11 -5.548 -16.204 2.224
101 HH22 ARG 11 HH12 ARG 11 -7.175 -15.810 1.779
102 H PHE 12 HN PHE 12 0.537 -10.974 2.651
103 HA PHE 12 HA PHE 12 2.500 -13.023 3.287
104 HB2 PHE 12 HB2 PHE 12 1.269 -13.654 1.089
105 HB3 PHE 12 HB1 PHE 12 2.167 -12.312 0.379
106 HD1 PHE 12 HD2 PHE 12 2.663 -15.379 2.476
107 HD2 PHE 12 HD1 PHE 12 4.359 -12.661 -0.387
108 HE1 PHE 12 HE2 PHE 12 4.669 -16.826 2.289
109 HE2 PHE 12 HE1 PHE 12 6.363 -14.109 -0.574
110 HZ PHE 12 HZ PHE 12 6.518 -16.192 0.764
111 H CYS 13 HN CYS 13 4.483 -12.147 3.539
112 HA CYS 13 HA CYS 13 4.913 -9.395 2.538
113 HB2 CYS 13 HB2 CYS 13 4.799 -10.258 5.216
114 HB3 CYS 13 HB1 CYS 13 6.508 -9.997 4.878
115 H VAL 14 HN VAL 14 7.043 -8.838 1.927
116 HA VAL 14 HA VAL 14 9.063 -10.952 1.851
117 HB VAL 14 HB VAL 14 7.932 -9.691 -0.659
118 HG11 VAL 14 HG11 VAL 14 9.621 -11.269 -1.744
119 HG12 VAL 14 HG12 VAL 14 10.361 -11.425 -0.153
120 HG13 VAL 14 HG13 VAL 14 10.302 -9.852 -0.947
121 HG21 VAL 14 HG21 VAL 14 7.602 -12.173 -1.205
122 HG22 VAL 14 HG22 VAL 14 6.529 -11.503 0.023
123 HG23 VAL 14 HG23 VAL 14 7.912 -12.488 0.502
124 H CYS 15 HN CYS 15 11.081 -10.144 2.005
125 HA CYS 15 HA CYS 15 11.429 -7.226 1.639
126 HB2 CYS 15 HB2 CYS 15 12.903 -8.999 3.593
127 HB3 CYS 15 HB1 CYS 15 13.022 -7.244 3.458
128 H VAL 16 HN VAL 16 13.499 -6.503 0.923
129 HA VAL 16 HA VAL 16 14.646 -8.236 -1.076
130 HB VAL 16 HB VAL 16 16.068 -6.305 -1.604
131 HG11 VAL 16 HG11 VAL 16 13.783 -6.353 -2.498
132 HG12 VAL 16 HG12 VAL 16 14.249 -4.696 -2.117
133 HG13 VAL 16 HG13 VAL 16 13.178 -5.582 -1.031
134 HG21 VAL 16 HG21 VAL 16 16.560 -5.456 0.597
135 HG22 VAL 16 HG22 VAL 16 14.849 -5.207 0.945
136 HG23 VAL 16 HG23 VAL 16 15.664 -4.194 -0.248
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 17.391 -2.440 -8.587
2 H2 ARG 1 HT2 ARG 1 16.449 -1.083 -8.981
3 H3 ARG 1 HT3 ARG 1 15.875 -2.221 -7.858
4 HA ARG 1 HA ARG 1 18.402 -1.257 -7.034
5 HB2 ARG 1 HB2 ARG 1 17.457 0.690 -8.475
6 HB3 ARG 1 HB1 ARG 1 16.293 0.894 -7.167
7 HG2 ARG 1 HG2 ARG 1 18.323 0.915 -5.588
8 HG3 ARG 1 HG1 ARG 1 19.301 1.129 -7.040
9 HD2 ARG 1 HD2 ARG 1 17.202 2.969 -5.907
10 HD3 ARG 1 HD1 ARG 1 18.878 3.333 -6.307
11 HE ARG 1 HE ARG 1 17.818 2.653 -8.715
12 HH11 ARG 1 HH21 ARG 1 16.853 4.787 -6.170
13 HH12 ARG 1 HH22 ARG 1 16.057 5.909 -7.223
14 HH21 ARG 1 HH11 ARG 1 16.778 4.121 -10.106
15 HH22 ARG 1 HH12 ARG 1 16.015 5.531 -9.453
16 H GLY 2 HN GLY 2 18.290 -0.807 -4.754
17 HA2 GLY 2 HA2 GLY 2 15.840 -0.850 -3.295
18 HA3 GLY 2 HA1 GLY 2 16.600 -2.438 -3.279
19 H GLY 3 HN GLY 3 16.999 -2.346 -1.049
20 HA2 GLY 3 HA2 GLY 3 19.439 -1.736 -0.095
21 HA3 GLY 3 HA1 GLY 3 18.605 -0.192 0.061
22 H ARG 4 HN ARG 4 16.141 -0.764 0.876
23 HA ARG 4 HA ARG 4 15.995 -2.782 2.903
24 HB2 ARG 4 HB2 ARG 4 15.666 -0.911 4.729
25 HB3 ARG 4 HB1 ARG 4 17.284 -1.493 4.343
26 HG2 ARG 4 HG2 ARG 4 17.733 0.394 2.939
27 HG3 ARG 4 HG1 ARG 4 16.042 0.896 2.965
28 HD2 ARG 4 HD2 ARG 4 17.493 0.667 5.575
29 HD3 ARG 4 HD1 ARG 4 17.832 2.058 4.553
30 HE ARG 4 HE ARG 4 15.299 1.455 5.889
31 HH11 ARG 4 HH21 ARG 4 17.097 3.358 3.623
32 HH12 ARG 4 HH22 ARG 4 15.966 4.668 3.617
33 HH21 ARG 4 HH11 ARG 4 13.810 3.169 5.882
34 HH22 ARG 4 HH12 ARG 4 14.106 4.562 4.892
35 H LEU 5 HN LEU 5 14.020 -3.333 2.088
36 HA LEU 5 HA LEU 5 11.789 -1.653 2.835
37 HB2 LEU 5 HB2 LEU 5 10.824 -1.847 0.445
38 HB3 LEU 5 HB1 LEU 5 12.043 -0.610 0.742
39 HG LEU 5 HG LEU 5 13.783 -2.302 -0.044
40 HD11 LEU 5 HD11 LEU 5 12.954 -4.421 -0.184
41 HD12 LEU 5 HD12 LEU 5 12.389 -3.903 -1.769
42 HD13 LEU 5 HD13 LEU 5 11.291 -3.871 -0.392
43 HD21 LEU 5 HD21 LEU 5 13.112 -0.468 -1.474
44 HD22 LEU 5 HD22 LEU 5 11.629 -1.306 -1.932
45 HD23 LEU 5 HD23 LEU 5 13.192 -1.926 -2.462
46 H CYS 6 HN CYS 6 9.788 -2.803 2.808
47 HA CYS 6 HA CYS 6 9.990 -5.671 2.177
48 HB2 CYS 6 HB2 CYS 6 9.028 -4.545 4.812
49 HB3 CYS 6 HB1 CYS 6 8.905 -6.237 4.327
50 H TYR 7 HN TYR 7 8.399 -6.255 0.923
51 HA TYR 7 HA TYR 7 6.032 -4.610 0.622
52 HB2 TYR 7 HB2 TYR 7 7.004 -7.148 -0.693
53 HB3 TYR 7 HB1 TYR 7 5.419 -6.450 -1.036
54 HD1 TYR 7 HD2 TYR 7 9.060 -5.639 -0.950
55 HD2 TYR 7 HD1 TYR 7 5.198 -4.665 -2.551
56 HE1 TYR 7 HE2 TYR 7 10.112 -4.014 -2.490
57 HE2 TYR 7 HE1 TYR 7 6.245 -3.037 -4.091
58 HH TYR 7 HH TYR 7 8.703 -2.826 -5.151
59 H CYS 8 HN CYS 8 3.993 -5.095 1.340
60 HA CYS 8 HA CYS 8 3.445 -7.696 2.548
61 HB2 CYS 8 HB2 CYS 8 4.290 -5.548 4.153
62 HB3 CYS 8 HB1 CYS 8 2.542 -5.618 4.366
63 H ARG 9 HN ARG 9 1.655 -8.244 1.493
64 HA ARG 9 HA ARG 9 -0.672 -6.485 1.644
65 HB2 ARG 9 HB2 ARG 9 0.896 -6.616 -0.711
66 HB3 ARG 9 HB1 ARG 9 -0.547 -7.570 -1.034
67 HG2 ARG 9 HG2 ARG 9 -1.068 -5.311 -1.654
68 HG3 ARG 9 HG1 ARG 9 -1.916 -5.629 -0.143
69 HD2 ARG 9 HD2 ARG 9 -0.544 -3.403 -0.417
70 HD3 ARG 9 HD1 ARG 9 -0.479 -4.281 1.106
71 HE ARG 9 HE ARG 9 1.747 -4.820 0.651
72 HH11 ARG 9 HH21 ARG 9 0.159 -3.486 -2.119
73 HH12 ARG 9 HH22 ARG 9 1.617 -3.296 -3.035
74 HH21 ARG 9 HH11 ARG 9 3.661 -4.575 -0.544
75 HH22 ARG 9 HH12 ARG 9 3.599 -3.911 -2.143
76 H ARG 10 HN ARG 10 -2.659 -7.589 1.319
77 HA ARG 10 HA ARG 10 -4.016 -9.384 1.861
78 HB2 ARG 10 HB2 ARG 10 -2.315 -10.542 -0.361
79 HB3 ARG 10 HB1 ARG 10 -3.843 -11.221 0.200
80 HG2 ARG 10 HG2 ARG 10 -5.042 -9.219 -0.446
81 HG3 ARG 10 HG1 ARG 10 -3.534 -8.390 -0.837
82 HD2 ARG 10 HD2 ARG 10 -4.336 -10.964 -2.198
83 HD3 ARG 10 HD1 ARG 10 -4.853 -9.394 -2.805
84 HE ARG 10 HE ARG 10 -2.099 -9.226 -2.459
85 HH11 ARG 10 HH21 ARG 10 -4.378 -11.121 -4.243
86 HH12 ARG 10 HH22 ARG 10 -3.306 -11.404 -5.576
87 HH21 ARG 10 HH11 ARG 10 -0.689 -9.593 -4.200
88 HH22 ARG 10 HH12 ARG 10 -1.218 -10.539 -5.552
89 H ARG 11 HN ARG 11 -2.480 -12.093 0.985
90 HA ARG 11 HA ARG 11 -1.520 -12.622 3.731
91 HB2 ARG 11 HB2 ARG 11 -1.971 -14.991 3.232
92 HB3 ARG 11 HB1 ARG 11 -3.418 -14.004 3.038
93 HG2 ARG 11 HG2 ARG 11 -2.135 -13.949 0.520
94 HG3 ARG 11 HG1 ARG 11 -2.036 -15.625 1.057
95 HD2 ARG 11 HD2 ARG 11 -4.505 -13.933 0.669
96 HD3 ARG 11 HD1 ARG 11 -4.108 -15.469 -0.093
97 HE ARG 11 HE ARG 11 -4.224 -15.899 2.676
98 HH11 ARG 11 HH21 ARG 11 -6.259 -14.968 0.037
99 HH12 ARG 11 HH22 ARG 11 -7.700 -15.632 0.732
100 HH21 ARG 11 HH11 ARG 11 -6.112 -16.772 3.595
101 HH22 ARG 11 HH12 ARG 11 -7.617 -16.652 2.747
102 H PHE 12 HN PHE 12 0.291 -11.304 2.210
103 HA PHE 12 HA PHE 12 2.403 -13.281 1.953
104 HB2 PHE 12 HB2 PHE 12 1.461 -13.365 -0.291
105 HB3 PHE 12 HB1 PHE 12 1.536 -11.608 -0.418
106 HD1 PHE 12 HD1 PHE 12 3.708 -14.592 0.233
107 HD2 PHE 12 HD2 PHE 12 3.461 -10.585 -1.294
108 HE1 PHE 12 HE1 PHE 12 6.050 -14.753 -0.566
109 HE2 PHE 12 HE2 PHE 12 5.803 -10.745 -2.093
110 HZ PHE 12 HZ PHE 12 7.098 -12.830 -1.729
111 H CYS 13 HN CYS 13 4.450 -12.402 2.159
112 HA CYS 13 HA CYS 13 4.848 -9.533 2.131
113 HB2 CYS 13 HB2 CYS 13 3.872 -10.349 4.454
114 HB3 CYS 13 HB1 CYS 13 5.541 -10.844 4.730
115 H VAL 14 HN VAL 14 7.078 -8.953 2.134
116 HA VAL 14 HA VAL 14 9.106 -10.978 2.500
117 HB VAL 14 HB VAL 14 8.314 -11.629 0.285
118 HG11 VAL 14 HG11 VAL 14 7.349 -9.427 -0.339
119 HG12 VAL 14 HG12 VAL 14 8.421 -10.052 -1.591
120 HG13 VAL 14 HG13 VAL 14 8.980 -8.777 -0.509
121 HG21 VAL 14 HG21 VAL 14 10.803 -11.563 0.906
122 HG22 VAL 14 HG22 VAL 14 10.896 -10.090 -0.062
123 HG23 VAL 14 HG23 VAL 14 10.430 -11.614 -0.819
124 H CYS 15 HN CYS 15 11.211 -10.160 2.491
125 HA CYS 15 HA CYS 15 11.399 -7.207 2.452
126 HB2 CYS 15 HB2 CYS 15 12.697 -9.262 4.226
127 HB3 CYS 15 HB1 CYS 15 13.366 -7.640 4.049
128 H VAL 16 HN VAL 16 13.568 -6.348 1.943
129 HA VAL 16 HA VAL 16 15.131 -6.077 0.255
130 HB VAL 16 HB VAL 16 15.947 -8.846 1.154
131 HG11 VAL 16 HG11 VAL 16 17.587 -6.458 0.259
132 HG12 VAL 16 HG12 VAL 16 17.129 -7.788 -0.802
133 HG13 VAL 16 HG13 VAL 16 18.178 -8.086 0.585
134 HG21 VAL 16 HG21 VAL 16 15.549 -7.522 3.146
135 HG22 VAL 16 HG22 VAL 16 16.379 -6.135 2.443
136 HG23 VAL 16 HG23 VAL 16 17.291 -7.581 2.875
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 14.563 4.246 6.791
2 H2 ARG 1 HT2 ARG 1 14.007 2.772 7.430
3 H3 ARG 1 HT3 ARG 1 14.851 2.798 5.956
4 HA ARG 1 HA ARG 1 16.256 3.959 8.206
5 HB2 ARG 1 HB2 ARG 1 14.919 1.522 8.603
6 HB3 ARG 1 HB1 ARG 1 16.571 1.052 8.210
7 HG2 ARG 1 HG2 ARG 1 15.885 3.143 10.296
8 HG3 ARG 1 HG1 ARG 1 16.150 1.441 10.673
9 HD2 ARG 1 HD2 ARG 1 18.166 3.208 9.259
10 HD3 ARG 1 HD1 ARG 1 18.199 2.841 10.981
11 HE ARG 1 HE ARG 1 18.951 1.062 8.821
12 HH11 ARG 1 HH21 ARG 1 17.874 1.378 12.096
13 HH12 ARG 1 HH22 ARG 1 18.511 -0.153 12.598
14 HH21 ARG 1 HH11 ARG 1 19.786 -0.948 9.472
15 HH22 ARG 1 HH12 ARG 1 19.592 -1.469 11.113
16 H GLY 2 HN GLY 2 18.302 1.929 7.999
17 HA2 GLY 2 HA2 GLY 2 19.984 2.887 6.087
18 HA3 GLY 2 HA1 GLY 2 20.034 1.213 6.634
19 H GLY 3 HN GLY 3 18.435 -0.279 5.559
20 HA2 GLY 3 HA2 GLY 3 17.389 0.446 2.980
21 HA3 GLY 3 HA1 GLY 3 18.853 -0.525 2.863
22 H ARG 4 HN ARG 4 15.499 -0.588 3.237
23 HA ARG 4 HA ARG 4 15.429 -3.454 3.227
24 HB2 ARG 4 HB2 ARG 4 15.798 -2.822 5.685
25 HB3 ARG 4 HB1 ARG 4 14.162 -2.162 5.639
26 HG2 ARG 4 HG2 ARG 4 13.517 -4.486 4.628
27 HG3 ARG 4 HG1 ARG 4 15.052 -5.021 5.312
28 HD2 ARG 4 HD2 ARG 4 12.626 -3.953 6.739
29 HD3 ARG 4 HD1 ARG 4 13.512 -5.443 7.041
30 HE ARG 4 HE ARG 4 14.212 -2.781 7.995
31 HH11 ARG 4 HH21 ARG 4 15.173 -6.052 7.400
32 HH12 ARG 4 HH22 ARG 4 16.475 -6.023 8.542
33 HH21 ARG 4 HH11 ARG 4 15.918 -2.735 9.493
34 HH22 ARG 4 HH12 ARG 4 16.896 -4.143 9.727
35 H LEU 5 HN LEU 5 13.981 -3.651 1.637
36 HA LEU 5 HA LEU 5 11.535 -1.986 1.721
37 HB2 LEU 5 HB2 LEU 5 12.523 -3.571 -0.649
38 HB3 LEU 5 HB1 LEU 5 11.373 -2.234 -0.629
39 HG LEU 5 HG LEU 5 14.326 -2.042 0.038
40 HD11 LEU 5 HD11 LEU 5 14.492 -0.771 -2.035
41 HD12 LEU 5 HD12 LEU 5 12.753 -0.915 -2.298
42 HD13 LEU 5 HD13 LEU 5 13.781 -2.347 -2.383
43 HD21 LEU 5 HD21 LEU 5 12.052 -0.047 0.080
44 HD22 LEU 5 HD22 LEU 5 13.731 0.466 -0.077
45 HD23 LEU 5 HD23 LEU 5 13.209 -0.410 1.360
46 H CYS 6 HN CYS 6 10.328 -3.255 3.139
47 HA CYS 6 HA CYS 6 9.907 -6.073 2.458
48 HB2 CYS 6 HB2 CYS 6 9.033 -4.433 4.833
49 HB3 CYS 6 HB1 CYS 6 8.640 -6.134 4.603
50 H TYR 7 HN TYR 7 8.639 -6.057 0.672
51 HA TYR 7 HA TYR 7 6.276 -4.452 0.427
52 HB2 TYR 7 HB2 TYR 7 7.390 -6.811 -1.084
53 HB3 TYR 7 HB1 TYR 7 5.794 -6.155 -1.453
54 HD1 TYR 7 HD1 TYR 7 9.405 -5.319 -1.226
55 HD2 TYR 7 HD2 TYR 7 5.535 -4.097 -2.619
56 HE1 TYR 7 HE1 TYR 7 10.454 -3.491 -2.524
57 HE2 TYR 7 HE2 TYR 7 6.576 -2.267 -3.919
58 HH TYR 7 HH TYR 7 10.108 -1.912 -4.088
59 H CYS 8 HN CYS 8 4.195 -4.947 0.956
60 HA CYS 8 HA CYS 8 3.653 -7.623 2.087
61 HB2 CYS 8 HB2 CYS 8 3.677 -5.107 3.477
62 HB3 CYS 8 HB1 CYS 8 2.031 -5.738 3.455
63 H ARG 9 HN ARG 9 2.241 -8.543 0.772
64 HA ARG 9 HA ARG 9 -0.038 -6.931 -0.220
65 HB2 ARG 9 HB2 ARG 9 1.526 -7.594 -2.036
66 HB3 ARG 9 HB1 ARG 9 1.297 -9.283 -1.589
67 HG2 ARG 9 HG2 ARG 9 -0.164 -8.707 -3.473
68 HG3 ARG 9 HG1 ARG 9 -1.131 -9.067 -2.045
69 HD2 ARG 9 HD2 ARG 9 -1.629 -6.908 -3.496
70 HD3 ARG 9 HD1 ARG 9 -1.759 -6.854 -1.742
71 HE ARG 9 HE ARG 9 0.107 -5.463 -1.695
72 HH11 ARG 9 HH21 ARG 9 -0.267 -6.976 -4.785
73 HH12 ARG 9 HH22 ARG 9 0.960 -6.026 -5.554
74 HH21 ARG 9 HH11 ARG 9 1.720 -4.213 -2.697
75 HH22 ARG 9 HH12 ARG 9 2.085 -4.462 -4.371
76 H ARG 10 HN ARG 10 -1.936 -7.572 0.564
77 HA ARG 10 HA ARG 10 -3.549 -8.845 1.587
78 HB2 ARG 10 HB2 ARG 10 -2.118 -10.953 -0.039
79 HB3 ARG 10 HB1 ARG 10 -3.586 -11.285 0.879
80 HG2 ARG 10 HG2 ARG 10 -3.565 -8.929 -0.981
81 HG3 ARG 10 HG1 ARG 10 -3.720 -10.544 -1.669
82 HD2 ARG 10 HD2 ARG 10 -5.643 -10.986 -0.167
83 HD3 ARG 10 HD1 ARG 10 -5.506 -9.350 0.473
84 HE ARG 10 HE ARG 10 -5.762 -8.885 -2.169
85 HH11 ARG 10 HH21 ARG 10 -7.452 -10.953 0.033
86 HH12 ARG 10 HH22 ARG 10 -8.962 -10.850 -0.811
87 HH21 ARG 10 HH11 ARG 10 -7.737 -8.749 -3.282
88 HH22 ARG 10 HH12 ARG 10 -9.122 -9.601 -2.689
89 H ARG 11 HN ARG 11 -2.194 -11.853 1.850
90 HA ARG 11 HA ARG 11 -1.391 -11.345 4.654
91 HB2 ARG 11 HB2 ARG 11 -2.464 -13.841 3.320
92 HB3 ARG 11 HB1 ARG 11 -1.905 -13.766 4.989
93 HG2 ARG 11 HG2 ARG 11 -3.749 -12.602 5.701
94 HG3 ARG 11 HG1 ARG 11 -3.875 -11.683 4.201
95 HD2 ARG 11 HD2 ARG 11 -4.511 -14.629 4.276
96 HD3 ARG 11 HD1 ARG 11 -5.723 -13.424 4.705
97 HE ARG 11 HE ARG 11 -4.529 -12.742 2.221
98 HH11 ARG 11 HH21 ARG 11 -6.662 -15.019 3.715
99 HH12 ARG 11 HH22 ARG 11 -7.573 -15.320 2.274
100 HH21 ARG 11 HH11 ARG 11 -5.720 -13.131 0.327
101 HH22 ARG 11 HH12 ARG 11 -7.040 -14.251 0.356
102 H PHE 12 HN PHE 12 0.323 -11.060 2.264
103 HA PHE 12 HA PHE 12 2.419 -12.985 3.060
104 HB2 PHE 12 HB2 PHE 12 2.132 -12.111 0.197
105 HB3 PHE 12 HB1 PHE 12 2.966 -13.519 0.852
106 HD1 PHE 12 HD2 PHE 12 1.598 -15.401 1.866
107 HD2 PHE 12 HD1 PHE 12 -0.166 -12.213 -0.408
108 HE1 PHE 12 HE2 PHE 12 -0.446 -16.766 1.540
109 HE2 PHE 12 HE1 PHE 12 -2.210 -13.577 -0.735
110 HZ PHE 12 HZ PHE 12 -2.351 -15.855 0.239
111 H CYS 13 HN CYS 13 4.542 -12.198 2.940
112 HA CYS 13 HA CYS 13 4.947 -9.425 2.103
113 HB2 CYS 13 HB2 CYS 13 4.384 -9.908 4.738
114 HB3 CYS 13 HB1 CYS 13 6.143 -10.003 4.737
115 H VAL 14 HN VAL 14 7.229 -8.832 1.966
116 HA VAL 14 HA VAL 14 9.244 -10.867 2.296
117 HB VAL 14 HB VAL 14 8.146 -11.658 0.221
118 HG11 VAL 14 HG11 VAL 14 9.094 -9.051 -0.993
119 HG12 VAL 14 HG12 VAL 14 7.431 -9.320 -0.473
120 HG13 VAL 14 HG13 VAL 14 8.121 -10.305 -1.764
121 HG21 VAL 14 HG21 VAL 14 10.835 -10.428 -0.428
122 HG22 VAL 14 HG22 VAL 14 10.170 -11.951 -1.017
123 HG23 VAL 14 HG23 VAL 14 10.667 -11.799 0.668
124 H CYS 15 HN CYS 15 11.279 -10.009 2.319
125 HA CYS 15 HA CYS 15 11.507 -7.125 1.696
126 HB2 CYS 15 HB2 CYS 15 13.186 -8.660 3.677
127 HB3 CYS 15 HB1 CYS 15 13.086 -6.910 3.474
128 H VAL 16 HN VAL 16 13.243 -6.380 0.564
129 HA VAL 16 HA VAL 16 14.946 -6.447 -0.976
130 HB VAL 16 HB VAL 16 15.834 -8.926 0.512
131 HG11 VAL 16 HG11 VAL 16 17.009 -8.475 -1.607
132 HG12 VAL 16 HG12 VAL 16 18.071 -8.175 -0.232
133 HG13 VAL 16 HG13 VAL 16 17.329 -6.821 -1.084
134 HG21 VAL 16 HG21 VAL 16 16.234 -5.982 1.111
135 HG22 VAL 16 HG22 VAL 16 17.210 -7.259 1.833
136 HG23 VAL 16 HG23 VAL 16 15.477 -7.188 2.151
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 21.970 2.612 -3.830
2 H2 ARG 1 HT2 ARG 1 21.181 3.450 -2.579
3 H3 ARG 1 HT3 ARG 1 20.275 2.674 -3.790
4 HA ARG 1 HA ARG 1 20.697 0.571 -2.978
5 HB2 ARG 1 HB2 ARG 1 23.179 1.014 -2.831
6 HB3 ARG 1 HB1 ARG 1 22.890 1.752 -1.254
7 HG2 ARG 1 HG2 ARG 1 21.866 -0.366 -0.466
8 HG3 ARG 1 HG1 ARG 1 22.218 -1.101 -2.029
9 HD2 ARG 1 HD2 ARG 1 24.014 -1.751 -0.605
10 HD3 ARG 1 HD1 ARG 1 24.658 -0.467 -1.624
11 HE ARG 1 HE ARG 1 23.563 0.468 0.887
12 HH11 ARG 1 HH21 ARG 1 26.309 -0.796 -0.795
13 HH12 ARG 1 HH22 ARG 1 27.466 -0.129 0.308
14 HH21 ARG 1 HH11 ARG 1 25.073 1.349 2.337
15 HH22 ARG 1 HH12 ARG 1 26.767 1.087 2.082
16 H GLY 2 HN GLY 2 18.814 0.409 -1.905
17 HA2 GLY 2 HA2 GLY 2 18.110 2.151 0.277
18 HA3 GLY 2 HA1 GLY 2 17.160 0.797 -0.328
19 H GLY 3 HN GLY 3 17.300 1.195 2.366
20 HA2 GLY 3 HA2 GLY 3 19.386 -0.517 3.487
21 HA3 GLY 3 HA1 GLY 3 18.163 0.372 4.390
22 H ARG 4 HN ARG 4 15.959 -0.457 4.364
23 HA ARG 4 HA ARG 4 15.737 -3.328 3.706
24 HB2 ARG 4 HB2 ARG 4 15.085 -2.000 6.343
25 HB3 ARG 4 HB1 ARG 4 14.457 -3.585 5.881
26 HG2 ARG 4 HG2 ARG 4 16.625 -4.546 5.806
27 HG3 ARG 4 HG1 ARG 4 17.413 -2.968 5.798
28 HD2 ARG 4 HD2 ARG 4 17.302 -4.362 8.031
29 HD3 ARG 4 HD1 ARG 4 17.050 -2.620 8.069
30 HE ARG 4 HE ARG 4 14.841 -3.007 8.668
31 HH11 ARG 4 HH21 ARG 4 16.300 -5.865 7.370
32 HH12 ARG 4 HH22 ARG 4 14.959 -6.892 7.759
33 HH21 ARG 4 HH11 ARG 4 13.081 -4.347 9.180
34 HH22 ARG 4 HH12 ARG 4 13.138 -6.033 8.784
35 H LEU 5 HN LEU 5 13.896 -3.812 2.665
36 HA LEU 5 HA LEU 5 11.553 -2.059 2.989
37 HB2 LEU 5 HB2 LEU 5 12.616 -1.149 1.034
38 HB3 LEU 5 HB1 LEU 5 12.888 -2.756 0.366
39 HG LEU 5 HG LEU 5 10.528 -3.105 0.031
40 HD11 LEU 5 HD11 LEU 5 10.275 -0.597 1.693
41 HD12 LEU 5 HD12 LEU 5 9.489 -2.157 1.929
42 HD13 LEU 5 HD13 LEU 5 8.974 -1.102 0.614
43 HD21 LEU 5 HD21 LEU 5 11.544 -0.394 -0.845
44 HD22 LEU 5 HD22 LEU 5 9.974 -1.002 -1.363
45 HD23 LEU 5 HD23 LEU 5 11.442 -1.881 -1.788
46 H CYS 6 HN CYS 6 9.984 -3.389 3.648
47 HA CYS 6 HA CYS 6 9.901 -6.146 2.589
48 HB2 CYS 6 HB2 CYS 6 9.013 -4.912 5.165
49 HB3 CYS 6 HB1 CYS 6 8.253 -6.393 4.601
50 H TYR 7 HN TYR 7 8.699 -6.015 0.767
51 HA TYR 7 HA TYR 7 6.351 -4.407 0.511
52 HB2 TYR 7 HB2 TYR 7 7.554 -6.664 -1.081
53 HB3 TYR 7 HB1 TYR 7 5.949 -6.038 -1.474
54 HD1 TYR 7 HD2 TYR 7 5.754 -3.426 -1.618
55 HD2 TYR 7 HD1 TYR 7 9.429 -5.609 -1.999
56 HE1 TYR 7 HE2 TYR 7 6.774 -1.499 -2.785
57 HE2 TYR 7 HE1 TYR 7 10.456 -3.682 -3.164
58 HH TYR 7 HH TYR 7 10.123 -1.653 -4.012
59 H CYS 8 HN CYS 8 4.296 -4.846 1.096
60 HA CYS 8 HA CYS 8 3.666 -7.590 2.015
61 HB2 CYS 8 HB2 CYS 8 3.175 -4.941 3.318
62 HB3 CYS 8 HB1 CYS 8 2.024 -6.251 3.578
63 H ARG 9 HN ARG 9 1.928 -8.499 1.162
64 HA ARG 9 HA ARG 9 -0.213 -6.843 0.022
65 HB2 ARG 9 HB2 ARG 9 1.162 -9.063 -1.514
66 HB3 ARG 9 HB1 ARG 9 -0.220 -8.111 -2.061
67 HG2 ARG 9 HG2 ARG 9 1.371 -6.063 -1.574
68 HG3 ARG 9 HG1 ARG 9 2.647 -7.269 -1.732
69 HD2 ARG 9 HD2 ARG 9 2.395 -6.468 -3.928
70 HD3 ARG 9 HD1 ARG 9 1.434 -7.945 -3.927
71 HE ARG 9 HE ARG 9 -0.043 -5.534 -3.258
72 HH11 ARG 9 HH21 ARG 9 1.053 -7.733 -5.695
73 HH12 ARG 9 HH22 ARG 9 -0.169 -7.290 -6.840
74 HH21 ARG 9 HH11 ARG 9 -1.645 -4.943 -4.752
75 HH22 ARG 9 HH12 ARG 9 -1.699 -5.708 -6.306
76 H ARG 10 HN ARG 10 -2.156 -7.642 0.555
77 HA ARG 10 HA ARG 10 -3.755 -9.035 1.440
78 HB2 ARG 10 HB2 ARG 10 -2.140 -11.270 0.196
79 HB3 ARG 10 HB1 ARG 10 -3.872 -11.247 0.527
80 HG2 ARG 10 HG2 ARG 10 -2.376 -9.564 -1.500
81 HG3 ARG 10 HG1 ARG 10 -3.567 -10.820 -1.833
82 HD2 ARG 10 HD2 ARG 10 -5.178 -9.369 -0.405
83 HD3 ARG 10 HD1 ARG 10 -4.003 -8.080 -0.657
84 HE ARG 10 HE ARG 10 -4.902 -9.450 -3.069
85 HH11 ARG 10 HH21 ARG 10 -5.269 -6.819 -0.851
86 HH12 ARG 10 HH22 ARG 10 -6.090 -5.797 -1.984
87 HH21 ARG 10 HH11 ARG 10 -5.978 -8.118 -4.559
88 HH22 ARG 10 HH12 ARG 10 -6.491 -6.533 -4.084
89 H ARG 11 HN ARG 11 -2.126 -11.934 1.755
90 HA ARG 11 HA ARG 11 -1.530 -11.390 4.608
91 HB2 ARG 11 HB2 ARG 11 -2.054 -13.808 4.969
92 HB3 ARG 11 HB1 ARG 11 -3.437 -12.861 4.426
93 HG2 ARG 11 HG2 ARG 11 -2.044 -13.811 2.101
94 HG3 ARG 11 HG1 ARG 11 -2.295 -15.177 3.186
95 HD2 ARG 11 HD2 ARG 11 -4.206 -14.894 1.652
96 HD3 ARG 11 HD1 ARG 11 -4.690 -14.647 3.327
97 HE ARG 11 HE ARG 11 -3.961 -12.167 2.137
98 HH11 ARG 11 HH21 ARG 11 -6.410 -14.614 2.169
99 HH12 ARG 11 HH22 ARG 11 -7.690 -13.532 1.736
100 HH21 ARG 11 HH11 ARG 11 -5.636 -10.744 1.568
101 HH22 ARG 11 HH12 ARG 11 -7.253 -11.341 1.394
102 H PHE 12 HN PHE 12 0.352 -11.040 2.453
103 HA PHE 12 HA PHE 12 2.394 -12.953 3.353
104 HB2 PHE 12 HB2 PHE 12 1.637 -12.444 0.471
105 HB3 PHE 12 HB1 PHE 12 3.179 -13.152 0.951
106 HD1 PHE 12 HD2 PHE 12 3.119 -15.243 2.456
107 HD2 PHE 12 HD1 PHE 12 -0.290 -13.792 0.283
108 HE1 PHE 12 HE2 PHE 12 2.040 -17.467 2.664
109 HE2 PHE 12 HE1 PHE 12 -1.369 -16.015 0.490
110 HZ PHE 12 HZ PHE 12 -0.204 -17.853 1.680
111 H CYS 13 HN CYS 13 4.583 -12.215 2.926
112 HA CYS 13 HA CYS 13 4.939 -9.474 2.025
113 HB2 CYS 13 HB2 CYS 13 5.475 -10.297 4.884
114 HB3 CYS 13 HB1 CYS 13 6.086 -8.813 4.152
115 H VAL 14 HN VAL 14 7.169 -8.886 1.750
116 HA VAL 14 HA VAL 14 9.224 -10.893 2.191
117 HB VAL 14 HB VAL 14 8.303 -10.191 -0.607
118 HG11 VAL 14 HG11 VAL 14 10.280 -11.712 -1.229
119 HG12 VAL 14 HG12 VAL 14 10.862 -11.434 0.413
120 HG13 VAL 14 HG13 VAL 14 10.677 -10.078 -0.698
121 HG21 VAL 14 HG21 VAL 14 8.471 -12.734 1.025
122 HG22 VAL 14 HG22 VAL 14 8.361 -12.762 -0.734
123 HG23 VAL 14 HG23 VAL 14 7.061 -12.050 0.218
124 H CYS 15 HN CYS 15 11.303 -10.052 2.046
125 HA CYS 15 HA CYS 15 11.448 -7.137 1.581
126 HB2 CYS 15 HB2 CYS 15 12.179 -8.700 3.868
127 HB3 CYS 15 HB1 CYS 15 13.635 -7.978 3.191
128 H VAL 16 HN VAL 16 13.584 -6.321 0.950
129 HA VAL 16 HA VAL 16 14.519 -7.044 -1.431
130 HB VAL 16 HB VAL 16 16.682 -6.124 -0.900
131 HG11 VAL 16 HG11 VAL 16 14.610 -4.834 0.901
132 HG12 VAL 16 HG12 VAL 16 14.693 -4.602 -0.845
133 HG13 VAL 16 HG13 VAL 16 16.015 -4.048 0.181
134 HG21 VAL 16 HG21 VAL 16 15.912 -6.849 1.935
135 HG22 VAL 16 HG22 VAL 16 17.184 -5.677 1.584
136 HG23 VAL 16 HG23 VAL 16 17.345 -7.347 1.035
Start of MODEL 11
1 H1 ARG 1 HT1 ARG 1 16.631 -0.764 5.958
2 H2 ARG 1 HT2 ARG 1 16.416 -1.349 7.538
3 H3 ARG 1 HT3 ARG 1 17.621 -2.012 6.539
4 HA ARG 1 HA ARG 1 17.580 0.804 7.472
5 HB2 ARG 1 HB2 ARG 1 19.557 -0.017 8.865
6 HB3 ARG 1 HB1 ARG 1 17.966 -0.543 9.408
7 HG2 ARG 1 HG2 ARG 1 19.343 -2.309 7.440
8 HG3 ARG 1 HG1 ARG 1 20.032 -2.255 9.061
9 HD2 ARG 1 HD2 ARG 1 17.113 -2.810 8.460
10 HD3 ARG 1 HD1 ARG 1 18.316 -4.048 8.789
11 HE ARG 1 HE ARG 1 18.509 -3.184 11.042
12 HH11 ARG 1 HH21 ARG 1 15.945 -1.849 9.118
13 HH12 ARG 1 HH22 ARG 1 15.028 -1.307 10.482
14 HH21 ARG 1 HH11 ARG 1 17.298 -2.473 12.823
15 HH22 ARG 1 HH12 ARG 1 15.790 -1.658 12.571
16 H GLY 2 HN GLY 2 18.411 -1.367 5.111
17 HA2 GLY 2 HA2 GLY 2 20.705 0.297 4.258
18 HA3 GLY 2 HA1 GLY 2 20.799 -1.460 4.188
19 H GLY 3 HN GLY 3 18.815 1.267 3.061
20 HA2 GLY 3 HA2 GLY 3 17.470 1.488 1.188
21 HA3 GLY 3 HA1 GLY 3 18.906 0.875 0.377
22 H ARG 4 HN ARG 4 16.711 -0.799 2.620
23 HA ARG 4 HA ARG 4 16.358 -2.923 0.616
24 HB2 ARG 4 HB2 ARG 4 15.355 -2.953 3.462
25 HB3 ARG 4 HB1 ARG 4 15.695 -4.324 2.404
26 HG2 ARG 4 HG2 ARG 4 18.125 -3.523 2.386
27 HG3 ARG 4 HG1 ARG 4 17.677 -2.457 3.718
28 HD2 ARG 4 HD2 ARG 4 16.946 -4.376 5.047
29 HD3 ARG 4 HD1 ARG 4 17.298 -5.463 3.709
30 HE ARG 4 HE ARG 4 19.197 -4.382 5.566
31 HH11 ARG 4 HH21 ARG 4 18.697 -5.401 2.297
32 HH12 ARG 4 HH22 ARG 4 20.356 -5.813 2.024
33 HH21 ARG 4 HH11 ARG 4 21.376 -4.923 5.218
34 HH22 ARG 4 HH12 ARG 4 21.874 -5.542 3.678
35 H LEU 5 HN LEU 5 14.133 -3.883 0.422
36 HA LEU 5 HA LEU 5 11.980 -1.931 0.907
37 HB2 LEU 5 HB2 LEU 5 11.140 -2.509 -1.469
38 HB3 LEU 5 HB1 LEU 5 12.447 -1.338 -1.314
39 HG LEU 5 HG LEU 5 13.219 -4.218 -1.590
40 HD11 LEU 5 HD11 LEU 5 11.413 -3.832 -3.301
41 HD12 LEU 5 HD12 LEU 5 12.991 -4.170 -4.008
42 HD13 LEU 5 HD13 LEU 5 12.384 -2.515 -3.959
43 HD21 LEU 5 HD21 LEU 5 14.323 -1.760 -2.970
44 HD22 LEU 5 HD22 LEU 5 15.141 -3.292 -2.660
45 HD23 LEU 5 HD23 LEU 5 14.795 -2.194 -1.329
46 H CYS 6 HN CYS 6 10.385 -2.948 1.932
47 HA CYS 6 HA CYS 6 10.133 -5.863 1.603
48 HB2 CYS 6 HB2 CYS 6 8.904 -4.190 3.780
49 HB3 CYS 6 HB1 CYS 6 9.129 -5.937 3.752
50 H TYR 7 HN TYR 7 8.563 -6.648 0.444
51 HA TYR 7 HA TYR 7 6.278 -4.976 -0.283
52 HB2 TYR 7 HB2 TYR 7 7.256 -7.669 -1.242
53 HB3 TYR 7 HB1 TYR 7 5.762 -6.917 -1.804
54 HD1 TYR 7 HD1 TYR 7 6.029 -4.349 -2.471
55 HD2 TYR 7 HD2 TYR 7 9.193 -7.249 -2.472
56 HE1 TYR 7 HE1 TYR 7 7.312 -2.939 -4.040
57 HE2 TYR 7 HE2 TYR 7 10.479 -5.845 -4.049
58 HH TYR 7 HH TYR 7 10.506 -3.981 -5.262
59 H CYS 8 HN CYS 8 4.168 -5.450 0.269
60 HA CYS 8 HA CYS 8 3.581 -7.878 1.783
61 HB2 CYS 8 HB2 CYS 8 3.563 -5.117 2.933
62 HB3 CYS 8 HB1 CYS 8 2.331 -6.264 3.460
63 H ARG 9 HN ARG 9 1.793 -8.698 0.966
64 HA ARG 9 HA ARG 9 -0.377 -6.887 0.133
65 HB2 ARG 9 HB2 ARG 9 1.139 -7.857 -1.778
66 HB3 ARG 9 HB1 ARG 9 0.245 -9.343 -1.476
67 HG2 ARG 9 HG2 ARG 9 -1.176 -8.402 -3.028
68 HG3 ARG 9 HG1 ARG 9 -1.841 -7.652 -1.577
69 HD2 ARG 9 HD2 ARG 9 0.309 -6.390 -3.302
70 HD3 ARG 9 HD1 ARG 9 -1.407 -6.033 -3.452
71 HE ARG 9 HE ARG 9 0.367 -5.125 -1.349
72 HH11 ARG 9 HH21 ARG 9 -2.880 -5.796 -2.339
73 HH12 ARG 9 HH22 ARG 9 -3.599 -4.711 -1.197
74 HH21 ARG 9 HH11 ARG 9 -0.569 -3.698 0.152
75 HH22 ARG 9 HH12 ARG 9 -2.292 -3.524 0.213
76 H ARG 10 HN ARG 10 -2.198 -7.414 1.142
77 HA ARG 10 HA ARG 10 -3.678 -8.593 2.455
78 HB2 ARG 10 HB2 ARG 10 -4.083 -9.459 0.129
79 HB3 ARG 10 HB1 ARG 10 -3.029 -10.818 0.510
80 HG2 ARG 10 HG2 ARG 10 -4.509 -11.668 2.139
81 HG3 ARG 10 HG1 ARG 10 -5.364 -10.135 2.294
82 HD2 ARG 10 HD2 ARG 10 -5.369 -11.525 -0.361
83 HD3 ARG 10 HD1 ARG 10 -6.428 -12.120 0.915
84 HE ARG 10 HE ARG 10 -6.574 -9.256 0.438
85 HH11 ARG 10 HH21 ARG 10 -7.759 -12.422 -0.295
86 HH12 ARG 10 HH22 ARG 10 -9.303 -11.866 -0.851
87 HH21 ARG 10 HH11 ARG 10 -8.595 -8.518 -0.291
88 HH22 ARG 10 HH12 ARG 10 -9.776 -9.655 -0.850
89 H ARG 11 HN ARG 11 -2.705 -11.750 1.922
90 HA ARG 11 HA ARG 11 -1.502 -11.890 4.604
91 HB2 ARG 11 HB2 ARG 11 -2.019 -14.303 4.455
92 HB3 ARG 11 HB1 ARG 11 -3.457 -13.304 4.234
93 HG2 ARG 11 HG2 ARG 11 -2.814 -13.482 1.673
94 HG3 ARG 11 HG1 ARG 11 -1.943 -14.920 2.204
95 HD2 ARG 11 HD2 ARG 11 -4.891 -14.371 2.239
96 HD3 ARG 11 HD1 ARG 11 -4.032 -15.820 1.724
97 HE ARG 11 HE ARG 11 -3.716 -15.321 4.533
98 HH11 ARG 11 HH21 ARG 11 -5.829 -16.550 2.085
99 HH12 ARG 11 HH22 ARG 11 -6.650 -17.645 3.146
100 HH21 ARG 11 HH11 ARG 11 -4.788 -16.760 5.933
101 HH22 ARG 11 HH12 ARG 11 -6.060 -17.765 5.325
102 H PHE 12 HN PHE 12 0.176 -10.880 2.622
103 HA PHE 12 HA PHE 12 2.210 -13.001 2.528
104 HB2 PHE 12 HB2 PHE 12 0.832 -12.607 0.287
105 HB3 PHE 12 HB1 PHE 12 1.935 -11.243 0.120
106 HD1 PHE 12 HD2 PHE 12 1.844 -14.925 0.743
107 HD2 PHE 12 HD1 PHE 12 4.154 -11.573 -0.629
108 HE1 PHE 12 HE2 PHE 12 3.626 -16.468 -0.026
109 HE2 PHE 12 HE1 PHE 12 5.936 -13.119 -1.400
110 HZ PHE 12 HZ PHE 12 5.671 -15.566 -1.098
111 H CYS 13 HN CYS 13 4.304 -12.260 2.757
112 HA CYS 13 HA CYS 13 4.932 -9.444 2.564
113 HB2 CYS 13 HB2 CYS 13 4.544 -10.790 5.211
114 HB3 CYS 13 HB1 CYS 13 5.789 -9.551 5.047
115 H VAL 14 HN VAL 14 7.035 -9.147 2.109
116 HA VAL 14 HA VAL 14 9.104 -10.910 3.029
117 HB VAL 14 HB VAL 14 8.044 -12.291 1.231
118 HG11 VAL 14 HG11 VAL 14 8.170 -11.600 -1.062
119 HG12 VAL 14 HG12 VAL 14 9.153 -10.194 -0.648
120 HG13 VAL 14 HG13 VAL 14 7.455 -10.252 -0.179
121 HG21 VAL 14 HG21 VAL 14 10.829 -11.309 0.545
122 HG22 VAL 14 HG22 VAL 14 10.149 -12.897 0.189
123 HG23 VAL 14 HG23 VAL 14 10.475 -12.432 1.858
124 H CYS 15 HN CYS 15 11.154 -10.048 2.690
125 HA CYS 15 HA CYS 15 11.229 -7.452 1.270
126 HB2 CYS 15 HB2 CYS 15 11.360 -7.605 3.925
127 HB3 CYS 15 HB1 CYS 15 13.055 -7.941 3.574
128 H VAL 16 HN VAL 16 13.175 -6.823 0.310
129 HA VAL 16 HA VAL 16 14.711 -7.450 -1.349
130 HB VAL 16 HB VAL 16 15.786 -6.642 0.861
131 HG11 VAL 16 HG11 VAL 16 17.088 -9.339 0.934
132 HG12 VAL 16 HG12 VAL 16 15.528 -9.145 1.731
133 HG13 VAL 16 HG13 VAL 16 16.897 -8.149 2.219
134 HG21 VAL 16 HG21 VAL 16 17.117 -8.054 -1.433
135 HG22 VAL 16 HG22 VAL 16 18.107 -7.437 -0.112
136 HG23 VAL 16 HG23 VAL 16 17.093 -6.333 -1.041
Start of MODEL 12
1 H1 ARG 1 HT1 ARG 1 24.778 4.215 -0.294
2 H2 ARG 1 HT2 ARG 1 25.288 2.802 -1.087
3 H3 ARG 1 HT3 ARG 1 24.409 2.696 0.363
4 HA ARG 1 HA ARG 1 22.757 4.162 -1.193
5 HB2 ARG 1 HB2 ARG 1 24.470 3.476 -3.045
6 HB3 ARG 1 HB1 ARG 1 23.707 1.890 -2.930
7 HG2 ARG 1 HG2 ARG 1 21.471 3.117 -3.204
8 HG3 ARG 1 HG1 ARG 1 22.426 4.520 -3.686
9 HD2 ARG 1 HD2 ARG 1 22.365 1.803 -5.022
10 HD3 ARG 1 HD1 ARG 1 21.804 3.330 -5.692
11 HE ARG 1 HE ARG 1 24.067 3.998 -5.990
12 HH11 ARG 1 HH21 ARG 1 23.716 0.841 -4.596
13 HH12 ARG 1 HH22 ARG 1 25.349 0.369 -4.929
14 HH21 ARG 1 HH11 ARG 1 26.201 3.374 -6.427
15 HH22 ARG 1 HH12 ARG 1 26.751 1.800 -5.963
16 H GLY 2 HN GLY 2 21.933 1.476 -2.599
17 HA2 GLY 2 HA2 GLY 2 20.449 -0.217 -2.119
18 HA3 GLY 2 HA1 GLY 2 21.460 -0.509 -0.707
19 H GLY 3 HN GLY 3 19.025 -1.104 -0.155
20 HA2 GLY 3 HA2 GLY 3 18.198 0.630 1.895
21 HA3 GLY 3 HA1 GLY 3 17.182 0.928 0.485
22 H ARG 4 HN ARG 4 16.668 -0.338 3.190
23 HA ARG 4 HA ARG 4 15.832 -3.039 2.365
24 HB2 ARG 4 HB2 ARG 4 15.608 -1.850 5.131
25 HB3 ARG 4 HB1 ARG 4 15.601 -3.550 4.671
26 HG2 ARG 4 HG2 ARG 4 17.810 -3.449 5.258
27 HG3 ARG 4 HG1 ARG 4 18.002 -2.795 3.633
28 HD2 ARG 4 HD2 ARG 4 17.596 -0.491 4.672
29 HD3 ARG 4 HD1 ARG 4 17.793 -1.272 6.237
30 HE ARG 4 HE ARG 4 19.943 -1.692 4.301
31 HH11 ARG 4 HH21 ARG 4 18.679 0.049 7.016
32 HH12 ARG 4 HH22 ARG 4 20.229 0.614 7.548
33 HH21 ARG 4 HH11 ARG 4 21.975 -0.953 4.996
34 HH22 ARG 4 HH12 ARG 4 22.092 0.048 6.406
35 H LEU 5 HN LEU 5 13.754 -3.591 2.091
36 HA LEU 5 HA LEU 5 11.588 -2.008 3.173
37 HB2 LEU 5 HB2 LEU 5 10.562 -1.595 0.932
38 HB3 LEU 5 HB1 LEU 5 12.042 -0.681 1.206
39 HG LEU 5 HG LEU 5 13.029 -3.010 0.103
40 HD11 LEU 5 HD11 LEU 5 11.657 -3.652 -1.751
41 HD12 LEU 5 HD12 LEU 5 10.538 -2.317 -1.469
42 HD13 LEU 5 HD13 LEU 5 10.605 -3.667 -0.334
43 HD21 LEU 5 HD21 LEU 5 12.143 -0.456 -1.277
44 HD22 LEU 5 HD22 LEU 5 13.228 -1.646 -1.994
45 HD23 LEU 5 HD23 LEU 5 13.719 -0.766 -0.546
46 H CYS 6 HN CYS 6 9.825 -3.259 3.506
47 HA CYS 6 HA CYS 6 9.867 -5.972 2.336
48 HB2 CYS 6 HB2 CYS 6 8.528 -5.175 4.913
49 HB3 CYS 6 HB1 CYS 6 8.862 -6.802 4.326
50 H TYR 7 HN TYR 7 8.464 -6.099 0.718
51 HA TYR 7 HA TYR 7 6.097 -4.471 0.569
52 HB2 TYR 7 HB2 TYR 7 7.187 -6.749 -1.083
53 HB3 TYR 7 HB1 TYR 7 5.603 -6.043 -1.402
54 HD1 TYR 7 HD1 TYR 7 5.588 -3.369 -1.405
55 HD2 TYR 7 HD2 TYR 7 9.012 -5.834 -2.201
56 HE1 TYR 7 HE1 TYR 7 6.654 -1.493 -2.612
57 HE2 TYR 7 HE2 TYR 7 10.079 -3.959 -3.412
58 HH TYR 7 HH TYR 7 9.942 -1.802 -3.957
59 H CYS 8 HN CYS 8 4.239 -4.886 1.606
60 HA CYS 8 HA CYS 8 3.652 -7.685 2.370
61 HB2 CYS 8 HB2 CYS 8 3.334 -5.104 3.815
62 HB3 CYS 8 HB1 CYS 8 2.081 -6.320 4.055
63 H ARG 9 HN ARG 9 2.376 -8.420 0.797
64 HA ARG 9 HA ARG 9 0.007 -6.811 0.053
65 HB2 ARG 9 HB2 ARG 9 1.728 -7.429 -1.740
66 HB3 ARG 9 HB1 ARG 9 1.183 -9.093 -1.535
67 HG2 ARG 9 HG2 ARG 9 -0.940 -8.650 -2.388
68 HG3 ARG 9 HG1 ARG 9 -0.857 -6.933 -1.994
69 HD2 ARG 9 HD2 ARG 9 0.967 -8.193 -4.042
70 HD3 ARG 9 HD1 ARG 9 -0.620 -7.556 -4.470
71 HE ARG 9 HE ARG 9 0.523 -5.482 -3.138
72 HH11 ARG 9 HH21 ARG 9 1.555 -7.560 -5.707
73 HH12 ARG 9 HH22 ARG 9 2.540 -6.355 -6.469
74 HH21 ARG 9 HH11 ARG 9 1.815 -3.902 -4.128
75 HH22 ARG 9 HH12 ARG 9 2.685 -4.284 -5.575
76 H ARG 10 HN ARG 10 -1.905 -7.562 0.706
77 HA ARG 10 HA ARG 10 -3.513 -8.945 1.584
78 HB2 ARG 10 HB2 ARG 10 -1.927 -11.054 0.096
79 HB3 ARG 10 HB1 ARG 10 -3.549 -11.272 0.746
80 HG2 ARG 10 HG2 ARG 10 -2.892 -9.040 -1.180
81 HG3 ARG 10 HG1 ARG 10 -3.368 -10.638 -1.743
82 HD2 ARG 10 HD2 ARG 10 -5.535 -10.114 -1.411
83 HD3 ARG 10 HD1 ARG 10 -5.216 -9.832 0.298
84 HE ARG 10 HE ARG 10 -5.447 -7.588 -0.170
85 HH11 ARG 10 HH21 ARG 10 -4.284 -9.274 -2.957
86 HH12 ARG 10 HH22 ARG 10 -4.237 -7.862 -3.961
87 HH21 ARG 10 HH11 ARG 10 -5.385 -5.734 -1.476
88 HH22 ARG 10 HH12 ARG 10 -4.861 -5.857 -3.122
89 H ARG 11 HN ARG 11 -2.029 -11.893 1.823
90 HA ARG 11 HA ARG 11 -1.368 -11.435 4.670
91 HB2 ARG 11 HB2 ARG 11 -2.507 -13.791 3.181
92 HB3 ARG 11 HB1 ARG 11 -1.659 -14.031 4.706
93 HG2 ARG 11 HG2 ARG 11 -3.904 -13.770 5.367
94 HG3 ARG 11 HG1 ARG 11 -3.215 -12.170 5.634
95 HD2 ARG 11 HD2 ARG 11 -4.057 -12.110 2.963
96 HD3 ARG 11 HD1 ARG 11 -5.334 -12.989 3.797
97 HE ARG 11 HE ARG 11 -4.484 -10.547 5.120
98 HH11 ARG 11 HH21 ARG 11 -6.590 -12.061 2.828
99 HH12 ARG 11 HH22 ARG 11 -7.799 -10.824 2.912
100 HH21 ARG 11 HH11 ARG 11 -6.066 -8.919 5.236
101 HH22 ARG 11 HH12 ARG 11 -7.503 -9.046 4.277
102 H PHE 12 HN PHE 12 0.170 -11.532 1.864
103 HA PHE 12 HA PHE 12 2.401 -13.220 2.827
104 HB2 PHE 12 HB2 PHE 12 2.473 -12.262 0.033
105 HB3 PHE 12 HB1 PHE 12 2.791 -13.870 0.682
106 HD1 PHE 12 HD2 PHE 12 0.405 -14.680 2.030
107 HD2 PHE 12 HD1 PHE 12 0.776 -12.365 -1.569
108 HE1 PHE 12 HE2 PHE 12 -1.855 -15.416 1.322
109 HE2 PHE 12 HE1 PHE 12 -1.482 -13.100 -2.274
110 HZ PHE 12 HZ PHE 12 -2.799 -14.626 -0.830
111 H CYS 13 HN CYS 13 4.462 -12.366 2.953
112 HA CYS 13 HA CYS 13 4.836 -9.541 2.231
113 HB2 CYS 13 HB2 CYS 13 5.260 -10.734 4.972
114 HB3 CYS 13 HB1 CYS 13 6.010 -9.221 4.461
115 H VAL 14 HN VAL 14 6.795 -9.082 1.437
116 HA VAL 14 HA VAL 14 8.984 -11.035 1.786
117 HB VAL 14 HB VAL 14 8.091 -9.819 -0.840
118 HG11 VAL 14 HG11 VAL 14 10.493 -11.481 -0.053
119 HG12 VAL 14 HG12 VAL 14 10.483 -9.906 -0.845
120 HG13 VAL 14 HG13 VAL 14 9.941 -11.338 -1.723
121 HG21 VAL 14 HG21 VAL 14 7.774 -12.225 -1.460
122 HG22 VAL 14 HG22 VAL 14 6.695 -11.706 -0.167
123 HG23 VAL 14 HG23 VAL 14 8.125 -12.667 0.211
124 H CYS 15 HN CYS 15 11.063 -10.145 1.710
125 HA CYS 15 HA CYS 15 11.245 -7.217 1.445
126 HB2 CYS 15 HB2 CYS 15 11.063 -8.275 3.901
127 HB3 CYS 15 HB1 CYS 15 12.797 -8.470 3.654
128 H VAL 16 HN VAL 16 13.346 -6.399 1.028
129 HA VAL 16 HA VAL 16 15.290 -6.412 -0.202
130 HB VAL 16 HB VAL 16 15.990 -9.055 1.035
131 HG11 VAL 16 HG11 VAL 16 17.517 -7.623 -0.469
132 HG12 VAL 16 HG12 VAL 16 18.185 -8.139 1.078
133 HG13 VAL 16 HG13 VAL 16 17.587 -6.492 0.882
134 HG21 VAL 16 HG21 VAL 16 14.939 -7.997 2.896
135 HG22 VAL 16 HG22 VAL 16 15.585 -6.417 2.458
136 HG23 VAL 16 HG23 VAL 16 16.658 -7.667 3.088
Start of MODEL 13
1 H1 ARG 1 HT1 ARG 1 18.931 -6.240 11.667
2 H2 ARG 1 HT2 ARG 1 17.667 -6.859 10.718
3 H3 ARG 1 HT3 ARG 1 17.995 -5.193 10.717
4 HA ARG 1 HA ARG 1 20.359 -6.461 10.020
5 HB2 ARG 1 HB2 ARG 1 19.198 -7.397 7.770
6 HB3 ARG 1 HB1 ARG 1 19.525 -8.423 9.163
7 HG2 ARG 1 HG2 ARG 1 16.935 -6.913 9.103
8 HG3 ARG 1 HG1 ARG 1 17.099 -8.329 8.068
9 HD2 ARG 1 HD2 ARG 1 16.256 -8.541 10.595
10 HD3 ARG 1 HD1 ARG 1 17.244 -9.791 9.845
11 HE ARG 1 HE ARG 1 19.082 -8.095 10.934
12 HH11 ARG 1 HH21 ARG 1 16.257 -9.726 12.094
13 HH12 ARG 1 HH22 ARG 1 16.847 -9.884 13.714
14 HH21 ARG 1 HH11 ARG 1 19.860 -8.299 13.058
15 HH22 ARG 1 HH12 ARG 1 18.887 -9.077 14.260
16 H GLY 2 HN GLY 2 17.508 -5.546 8.102
17 HA2 GLY 2 HA2 GLY 2 18.158 -2.840 7.741
18 HA3 GLY 2 HA1 GLY 2 18.892 -3.751 6.426
19 H GLY 3 HN GLY 3 17.168 -2.035 5.525
20 HA2 GLY 3 HA2 GLY 3 14.987 -3.656 4.517
21 HA3 GLY 3 HA1 GLY 3 14.477 -2.294 5.511
22 H ARG 4 HN ARG 4 14.810 -3.187 2.423
23 HA ARG 4 HA ARG 4 15.407 -0.432 1.514
24 HB2 ARG 4 HB2 ARG 4 16.337 -3.069 0.388
25 HB3 ARG 4 HB1 ARG 4 16.239 -1.629 -0.622
26 HG2 ARG 4 HG2 ARG 4 17.630 -1.416 2.027
27 HG3 ARG 4 HG1 ARG 4 18.473 -2.212 0.696
28 HD2 ARG 4 HD2 ARG 4 17.157 0.473 0.303
29 HD3 ARG 4 HD1 ARG 4 18.776 0.354 0.983
30 HE ARG 4 HE ARG 4 18.035 -0.092 -1.765
31 HH11 ARG 4 HH21 ARG 4 20.237 -0.891 0.782
32 HH12 ARG 4 HH22 ARG 4 21.534 -1.318 -0.285
33 HH21 ARG 4 HH11 ARG 4 19.730 -0.652 -3.171
34 HH22 ARG 4 HH12 ARG 4 21.246 -1.183 -2.524
35 H LEU 5 HN LEU 5 13.921 -3.531 0.532
36 HA LEU 5 HA LEU 5 11.605 -2.026 -0.485
37 HB2 LEU 5 HB2 LEU 5 13.061 -2.444 -2.426
38 HB3 LEU 5 HB1 LEU 5 13.096 -4.162 -2.035
39 HG LEU 5 HG LEU 5 10.661 -4.301 -2.366
40 HD11 LEU 5 HD11 LEU 5 9.738 -2.234 -1.809
41 HD12 LEU 5 HD12 LEU 5 9.695 -2.153 -3.569
42 HD13 LEU 5 HD13 LEU 5 10.976 -1.329 -2.681
43 HD21 LEU 5 HD21 LEU 5 10.691 -3.567 -4.867
44 HD22 LEU 5 HD22 LEU 5 11.844 -4.796 -4.347
45 HD23 LEU 5 HD23 LEU 5 12.370 -3.127 -4.559
46 H CYS 6 HN CYS 6 10.379 -2.770 1.251
47 HA CYS 6 HA CYS 6 9.998 -5.695 1.411
48 HB2 CYS 6 HB2 CYS 6 9.131 -3.842 3.589
49 HB3 CYS 6 HB1 CYS 6 9.634 -5.528 3.690
50 H TYR 7 HN TYR 7 8.276 -6.315 0.326
51 HA TYR 7 HA TYR 7 5.952 -4.567 0.058
52 HB2 TYR 7 HB2 TYR 7 6.653 -7.278 -1.078
53 HB3 TYR 7 HB1 TYR 7 5.093 -6.494 -1.337
54 HD1 TYR 7 HD2 TYR 7 5.190 -4.006 -2.148
55 HD2 TYR 7 HD1 TYR 7 8.417 -6.808 -2.537
56 HE1 TYR 7 HE2 TYR 7 6.176 -2.614 -3.939
57 HE2 TYR 7 HE1 TYR 7 9.409 -5.420 -4.325
58 HH TYR 7 HH TYR 7 9.018 -3.700 -5.754
59 H CYS 8 HN CYS 8 3.878 -5.117 0.813
60 HA CYS 8 HA CYS 8 3.581 -7.462 2.519
61 HB2 CYS 8 HB2 CYS 8 4.428 -5.234 3.772
62 HB3 CYS 8 HB1 CYS 8 2.689 -4.951 3.818
63 H ARG 9 HN ARG 9 2.005 -8.259 1.252
64 HA ARG 9 HA ARG 9 -0.433 -6.622 0.898
65 HB2 ARG 9 HB2 ARG 9 0.733 -7.489 -1.175
66 HB3 ARG 9 HB1 ARG 9 0.335 -9.117 -0.629
67 HG2 ARG 9 HG2 ARG 9 -1.446 -8.562 -2.079
68 HG3 ARG 9 HG1 ARG 9 -2.104 -8.270 -0.471
69 HD2 ARG 9 HD2 ARG 9 -2.509 -6.446 -2.228
70 HD3 ARG 9 HD1 ARG 9 -1.867 -5.918 -0.679
71 HE ARG 9 HE ARG 9 0.230 -6.480 -2.545
72 HH11 ARG 9 HH21 ARG 9 -2.205 -4.193 -1.642
73 HH12 ARG 9 HH22 ARG 9 -1.360 -2.828 -2.291
74 HH21 ARG 9 HH11 ARG 9 1.345 -4.694 -3.399
75 HH22 ARG 9 HH12 ARG 9 0.650 -3.111 -3.286
76 H ARG 10 HN ARG 10 -0.604 -7.337 3.289
77 HA ARG 10 HA ARG 10 -1.661 -8.594 4.893
78 HB2 ARG 10 HB2 ARG 10 -3.209 -9.492 2.452
79 HB3 ARG 10 HB1 ARG 10 -3.682 -9.835 4.116
80 HG2 ARG 10 HG2 ARG 10 -3.583 -7.320 4.526
81 HG3 ARG 10 HG1 ARG 10 -3.455 -7.132 2.776
82 HD2 ARG 10 HD2 ARG 10 -5.692 -8.631 4.165
83 HD3 ARG 10 HD1 ARG 10 -5.806 -6.957 3.632
84 HE ARG 10 HE ARG 10 -5.851 -7.699 1.395
85 HH11 ARG 10 HH21 ARG 10 -5.352 -10.275 3.659
86 HH12 ARG 10 HH22 ARG 10 -5.674 -11.528 2.509
87 HH21 ARG 10 HH11 ARG 10 -6.272 -9.341 -0.110
88 HH22 ARG 10 HH12 ARG 10 -6.195 -10.999 0.376
89 H ARG 11 HN ARG 11 -2.485 -11.141 2.730
90 HA ARG 11 HA ARG 11 -1.343 -13.175 4.236
91 HB2 ARG 11 HB2 ARG 11 -2.118 -13.039 1.324
92 HB3 ARG 11 HB1 ARG 11 -1.526 -14.522 2.073
93 HG2 ARG 11 HG2 ARG 11 -3.348 -14.588 3.614
94 HG3 ARG 11 HG1 ARG 11 -3.834 -12.938 3.220
95 HD2 ARG 11 HD2 ARG 11 -5.104 -15.002 2.149
96 HD3 ARG 11 HD1 ARG 11 -4.789 -13.552 1.198
97 HE ARG 11 HE ARG 11 -2.587 -15.083 0.736
98 HH11 ARG 11 HH21 ARG 11 -6.001 -15.631 0.605
99 HH12 ARG 11 HH22 ARG 11 -5.903 -16.804 -0.665
100 HH21 ARG 11 HH11 ARG 11 -2.450 -16.620 -0.931
101 HH22 ARG 11 HH12 ARG 11 -3.893 -17.365 -1.535
102 H PHE 12 HN PHE 12 0.060 -11.246 1.651
103 HA PHE 12 HA PHE 12 2.554 -12.820 1.827
104 HB2 PHE 12 HB2 PHE 12 1.193 -12.040 -0.388
105 HB3 PHE 12 HB1 PHE 12 2.300 -10.680 -0.213
106 HD1 PHE 12 HD2 PHE 12 4.786 -11.116 -0.077
107 HD2 PHE 12 HD1 PHE 12 1.955 -14.172 -1.123
108 HE1 PHE 12 HE2 PHE 12 6.619 -12.491 -1.022
109 HE2 PHE 12 HE1 PHE 12 3.789 -15.548 -2.072
110 HZ PHE 12 HZ PHE 12 6.122 -14.707 -2.020
111 H CYS 13 HN CYS 13 4.533 -11.831 2.233
112 HA CYS 13 HA CYS 13 4.922 -9.054 2.512
113 HB2 CYS 13 HB2 CYS 13 3.402 -9.693 4.542
114 HB3 CYS 13 HB1 CYS 13 4.890 -10.359 5.212
115 H VAL 14 HN VAL 14 7.019 -8.743 2.184
116 HA VAL 14 HA VAL 14 9.080 -10.094 3.588
117 HB VAL 14 HB VAL 14 8.323 -11.969 2.099
118 HG11 VAL 14 HG11 VAL 14 7.746 -10.425 0.176
119 HG12 VAL 14 HG12 VAL 14 8.706 -11.835 -0.272
120 HG13 VAL 14 HG13 VAL 14 9.477 -10.258 -0.116
121 HG21 VAL 14 HG21 VAL 14 10.709 -11.611 2.965
122 HG22 VAL 14 HG22 VAL 14 11.086 -10.982 1.360
123 HG23 VAL 14 HG23 VAL 14 10.545 -12.649 1.549
124 H CYS 15 HN CYS 15 11.209 -9.497 2.872
125 HA CYS 15 HA CYS 15 11.237 -7.097 1.142
126 HB2 CYS 15 HB2 CYS 15 11.534 -6.870 3.761
127 HB3 CYS 15 HB1 CYS 15 13.187 -7.374 3.391
128 H VAL 16 HN VAL 16 13.472 -6.553 0.359
129 HA VAL 16 HA VAL 16 14.505 -8.257 -1.409
130 HB VAL 16 HB VAL 16 15.357 -5.931 -0.845
131 HG11 VAL 16 HG11 VAL 16 17.099 -5.678 0.756
132 HG12 VAL 16 HG12 VAL 16 17.303 -7.421 0.922
133 HG13 VAL 16 HG13 VAL 16 15.866 -6.638 1.575
134 HG21 VAL 16 HG21 VAL 16 17.748 -6.560 -1.562
135 HG22 VAL 16 HG22 VAL 16 16.441 -7.095 -2.619
136 HG23 VAL 16 HG23 VAL 16 17.202 -8.236 -1.508
Start of MODEL 14
1 H1 ARG 1 HT1 ARG 1 22.950 -6.916 4.406
2 H2 ARG 1 HT2 ARG 1 21.660 -6.161 5.214
3 H3 ARG 1 HT3 ARG 1 23.119 -5.324 4.967
4 HA ARG 1 HA ARG 1 21.642 -4.469 3.376
5 HB2 ARG 1 HB2 ARG 1 22.598 -5.513 1.217
6 HB3 ARG 1 HB1 ARG 1 23.753 -4.799 2.343
7 HG2 ARG 1 HG2 ARG 1 23.070 -7.696 2.691
8 HG3 ARG 1 HG1 ARG 1 24.116 -7.254 1.344
9 HD2 ARG 1 HD2 ARG 1 24.755 -6.069 4.010
10 HD3 ARG 1 HD1 ARG 1 25.101 -7.779 3.780
11 HE ARG 1 HE ARG 1 26.108 -6.343 1.568
12 HH11 ARG 1 HH21 ARG 1 26.600 -6.789 4.962
13 HH12 ARG 1 HH22 ARG 1 28.299 -6.466 4.900
14 HH21 ARG 1 HH11 ARG 1 28.338 -5.920 1.475
15 HH22 ARG 1 HH12 ARG 1 29.284 -5.974 2.924
16 H GLY 2 HN GLY 2 21.347 -7.864 3.965
17 HA2 GLY 2 HA2 GLY 2 19.321 -8.353 1.965
18 HA3 GLY 2 HA1 GLY 2 19.817 -9.455 3.246
19 H GLY 3 HN GLY 3 18.457 -6.158 3.256
20 HA2 GLY 3 HA2 GLY 3 15.868 -6.586 3.959
21 HA3 GLY 3 HA1 GLY 3 16.730 -6.791 5.482
22 H ARG 4 HN ARG 4 15.301 -4.573 3.397
23 HA ARG 4 HA ARG 4 16.151 -2.347 5.073
24 HB2 ARG 4 HB2 ARG 4 17.808 -2.576 3.130
25 HB3 ARG 4 HB1 ARG 4 16.471 -2.102 2.082
26 HG2 ARG 4 HG2 ARG 4 16.172 -0.088 3.655
27 HG3 ARG 4 HG1 ARG 4 17.761 -0.506 4.299
28 HD2 ARG 4 HD2 ARG 4 18.587 -0.474 1.879
29 HD3 ARG 4 HD1 ARG 4 17.054 0.290 1.470
30 HE ARG 4 HE ARG 4 18.095 1.776 3.562
31 HH11 ARG 4 HH21 ARG 4 19.042 0.806 0.380
32 HH12 ARG 4 HH22 ARG 4 19.987 2.226 0.078
33 HH21 ARG 4 HH11 ARG 4 19.332 3.642 3.175
34 HH22 ARG 4 HH12 ARG 4 20.151 3.831 1.662
35 H LEU 5 HN LEU 5 14.034 -3.840 2.793
36 HA LEU 5 HA LEU 5 11.843 -2.159 3.585
37 HB2 LEU 5 HB2 LEU 5 12.650 -0.581 2.016
38 HB3 LEU 5 HB1 LEU 5 13.087 -1.834 0.856
39 HG LEU 5 HG LEU 5 10.744 -2.345 0.445
40 HD11 LEU 5 HD11 LEU 5 10.319 -0.399 2.720
41 HD12 LEU 5 HD12 LEU 5 9.691 -2.039 2.548
42 HD13 LEU 5 HD13 LEU 5 9.037 -0.737 1.556
43 HD21 LEU 5 HD21 LEU 5 11.549 0.563 0.334
44 HD22 LEU 5 HD22 LEU 5 9.987 0.033 -0.285
45 HD23 LEU 5 HD23 LEU 5 11.473 -0.610 -0.982
46 H CYS 6 HN CYS 6 10.356 -3.714 3.872
47 HA CYS 6 HA CYS 6 10.190 -5.875 1.867
48 HB2 CYS 6 HB2 CYS 6 8.923 -6.033 4.581
49 HB3 CYS 6 HB1 CYS 6 9.477 -7.338 3.534
50 H TYR 7 HN TYR 7 8.445 -6.102 0.668
51 HA TYR 7 HA TYR 7 6.198 -4.256 1.076
52 HB2 TYR 7 HB2 TYR 7 7.009 -6.042 -1.223
53 HB3 TYR 7 HB1 TYR 7 5.509 -5.111 -1.194
54 HD1 TYR 7 HD1 TYR 7 5.570 -2.637 -1.057
55 HD2 TYR 7 HD2 TYR 7 9.130 -4.979 -1.552
56 HE1 TYR 7 HE1 TYR 7 6.804 -0.608 -1.742
57 HE2 TYR 7 HE2 TYR 7 10.371 -2.956 -2.243
58 HH TYR 7 HH TYR 7 9.483 -0.554 -3.383
59 H CYS 8 HN CYS 8 4.097 -4.945 1.454
60 HA CYS 8 HA CYS 8 3.700 -7.852 1.785
61 HB2 CYS 8 HB2 CYS 8 3.991 -6.449 3.966
62 HB3 CYS 8 HB1 CYS 8 2.347 -5.917 3.623
63 H ARG 9 HN ARG 9 2.001 -8.674 0.849
64 HA ARG 9 HA ARG 9 -0.248 -6.919 0.084
65 HB2 ARG 9 HB2 ARG 9 0.957 -9.075 -1.665
66 HB3 ARG 9 HB1 ARG 9 -0.382 -8.002 -2.080
67 HG2 ARG 9 HG2 ARG 9 1.293 -6.077 -1.582
68 HG3 ARG 9 HG1 ARG 9 2.536 -7.320 -1.728
69 HD2 ARG 9 HD2 ARG 9 2.366 -6.479 -3.913
70 HD3 ARG 9 HD1 ARG 9 1.361 -7.926 -3.960
71 HE ARG 9 HE ARG 9 -0.379 -5.915 -3.279
72 HH11 ARG 9 HH21 ARG 9 1.913 -6.479 -5.812
73 HH12 ARG 9 HH22 ARG 9 1.034 -5.573 -6.997
74 HH21 ARG 9 HH11 ARG 9 -1.535 -4.726 -4.831
75 HH22 ARG 9 HH12 ARG 9 -0.919 -4.582 -6.444
76 H ARG 10 HN ARG 10 -2.273 -8.085 -0.192
77 HA ARG 10 HA ARG 10 -3.861 -9.480 0.745
78 HB2 ARG 10 HB2 ARG 10 -1.776 -11.400 -0.304
79 HB3 ARG 10 HB1 ARG 10 -3.341 -11.929 0.314
80 HG2 ARG 10 HG2 ARG 10 -4.513 -10.625 -1.353
81 HG3 ARG 10 HG1 ARG 10 -3.007 -9.881 -1.894
82 HD2 ARG 10 HD2 ARG 10 -3.418 -12.871 -1.968
83 HD3 ARG 10 HD1 ARG 10 -3.911 -11.835 -3.304
84 HE ARG 10 HE ARG 10 -1.186 -12.500 -2.540
85 HH11 ARG 10 HH21 ARG 10 -3.323 -10.361 -4.227
86 HH12 ARG 10 HH22 ARG 10 -2.101 -9.767 -5.302
87 HH21 ARG 10 HH11 ARG 10 0.418 -11.727 -3.951
88 HH22 ARG 10 HH12 ARG 10 0.014 -10.542 -5.146
89 H ARG 11 HN ARG 11 -1.897 -12.098 1.580
90 HA ARG 11 HA ARG 11 -1.736 -11.219 4.404
91 HB2 ARG 11 HB2 ARG 11 -2.594 -13.922 3.351
92 HB3 ARG 11 HB1 ARG 11 -2.315 -13.546 5.048
93 HG2 ARG 11 HG2 ARG 11 -4.326 -12.518 5.256
94 HG3 ARG 11 HG1 ARG 11 -4.097 -11.602 3.769
95 HD2 ARG 11 HD2 ARG 11 -4.801 -14.537 3.733
96 HD3 ARG 11 HD1 ARG 11 -6.038 -13.284 3.806
97 HE ARG 11 HE ARG 11 -4.090 -12.976 1.664
98 HH11 ARG 11 HH21 ARG 11 -7.139 -14.237 2.716
99 HH12 ARG 11 HH22 ARG 11 -7.807 -14.324 1.119
100 HH21 ARG 11 HH11 ARG 11 -4.960 -13.089 -0.428
101 HH22 ARG 11 HH12 ARG 11 -6.574 -13.676 -0.659
102 H PHE 12 HN PHE 12 0.452 -10.877 2.839
103 HA PHE 12 HA PHE 12 2.410 -12.481 4.138
104 HB2 PHE 12 HB2 PHE 12 1.503 -14.076 2.370
105 HB3 PHE 12 HB1 PHE 12 2.210 -12.994 1.170
106 HD1 PHE 12 HD2 PHE 12 3.104 -14.819 4.321
107 HD2 PHE 12 HD1 PHE 12 4.444 -13.290 0.536
108 HE1 PHE 12 HE2 PHE 12 5.321 -15.872 4.680
109 HE2 PHE 12 HE1 PHE 12 6.662 -14.342 0.897
110 HZ PHE 12 HZ PHE 12 7.099 -15.632 2.969
111 H CYS 13 HN CYS 13 4.613 -11.866 3.521
112 HA CYS 13 HA CYS 13 4.830 -9.527 1.772
113 HB2 CYS 13 HB2 CYS 13 6.304 -9.178 4.294
114 HB3 CYS 13 HB1 CYS 13 5.363 -8.013 3.374
115 H VAL 14 HN VAL 14 7.135 -8.843 1.503
116 HA VAL 14 HA VAL 14 9.089 -10.994 1.916
117 HB VAL 14 HB VAL 14 8.034 -11.428 -0.291
118 HG11 VAL 14 HG11 VAL 14 8.182 -9.833 -2.069
119 HG12 VAL 14 HG12 VAL 14 9.243 -8.784 -1.130
120 HG13 VAL 14 HG13 VAL 14 7.546 -8.951 -0.681
121 HG21 VAL 14 HG21 VAL 14 10.451 -11.928 0.175
122 HG22 VAL 14 HG22 VAL 14 10.865 -10.359 -0.519
123 HG23 VAL 14 HG23 VAL 14 10.122 -11.600 -1.528
124 H CYS 15 HN CYS 15 11.133 -10.256 2.212
125 HA CYS 15 HA CYS 15 11.500 -7.353 2.305
126 HB2 CYS 15 HB2 CYS 15 13.063 -9.676 3.416
127 HB3 CYS 15 HB1 CYS 15 13.669 -8.020 3.455
128 H VAL 16 HN VAL 16 13.057 -6.235 1.166
129 HA VAL 16 HA VAL 16 13.718 -7.052 -1.403
130 HB VAL 16 HB VAL 16 13.856 -4.711 -0.505
131 HG11 VAL 16 HG11 VAL 16 15.759 -4.008 0.748
132 HG12 VAL 16 HG12 VAL 16 16.588 -5.544 0.489
133 HG13 VAL 16 HG13 VAL 16 15.180 -5.471 1.548
134 HG21 VAL 16 HG21 VAL 16 14.815 -5.230 -2.685
135 HG22 VAL 16 HG22 VAL 16 16.285 -5.844 -1.930
136 HG23 VAL 16 HG23 VAL 16 15.899 -4.127 -1.838
Start of MODEL 15
1 H1 ARG 1 HT1 ARG 1 20.915 5.133 2.237
2 H2 ARG 1 HT2 ARG 1 19.531 4.954 1.269
3 H3 ARG 1 HT3 ARG 1 21.018 5.375 0.562
4 HA ARG 1 HA ARG 1 20.008 2.861 0.748
5 HB2 ARG 1 HB2 ARG 1 21.889 3.945 -0.685
6 HB3 ARG 1 HB1 ARG 1 22.965 3.436 0.613
7 HG2 ARG 1 HG2 ARG 1 23.059 1.559 -0.752
8 HG3 ARG 1 HG1 ARG 1 21.719 1.112 0.300
9 HD2 ARG 1 HD2 ARG 1 20.872 0.688 -1.850
10 HD3 ARG 1 HD1 ARG 1 20.222 2.281 -1.476
11 HE ARG 1 HE ARG 1 22.757 2.426 -2.827
12 HH11 ARG 1 HH21 ARG 1 19.348 1.958 -3.196
13 HH12 ARG 1 HH22 ARG 1 19.304 2.540 -4.827
14 HH21 ARG 1 HH11 ARG 1 22.707 3.191 -4.967
15 HH22 ARG 1 HH12 ARG 1 21.205 3.238 -5.830
16 H GLY 2 HN GLY 2 19.920 1.315 2.258
17 HA2 GLY 2 HA2 GLY 2 21.700 0.273 3.935
18 HA3 GLY 2 HA1 GLY 2 21.269 1.735 4.817
19 H GLY 3 HN GLY 3 18.667 2.036 4.637
20 HA2 GLY 3 HA2 GLY 3 17.591 -0.022 6.284
21 HA3 GLY 3 HA1 GLY 3 16.697 1.337 5.608
22 H ARG 4 HN ARG 4 16.209 -1.679 5.822
23 HA ARG 4 HA ARG 4 16.016 -2.486 3.030
24 HB2 ARG 4 HB2 ARG 4 14.761 -4.040 5.261
25 HB3 ARG 4 HB1 ARG 4 15.589 -4.621 3.818
26 HG2 ARG 4 HG2 ARG 4 17.718 -3.584 4.828
27 HG3 ARG 4 HG1 ARG 4 16.806 -3.473 6.333
28 HD2 ARG 4 HD2 ARG 4 17.817 -5.560 6.565
29 HD3 ARG 4 HD1 ARG 4 16.264 -6.006 5.864
30 HE ARG 4 HE ARG 4 17.797 -5.686 3.665
31 HH11 ARG 4 HH21 ARG 4 18.283 -7.328 6.674
32 HH12 ARG 4 HH22 ARG 4 19.307 -8.551 6.001
33 HH21 ARG 4 HH11 ARG 4 19.144 -7.287 2.776
34 HH22 ARG 4 HH12 ARG 4 19.795 -8.528 3.794
35 H LEU 5 HN LEU 5 13.876 -3.443 2.295
36 HA LEU 5 HA LEU 5 11.552 -1.979 3.369
37 HB2 LEU 5 HB2 LEU 5 10.886 -1.631 0.890
38 HB3 LEU 5 HB1 LEU 5 12.083 -0.543 1.590
39 HG LEU 5 HG LEU 5 13.129 -3.044 0.342
40 HD11 LEU 5 HD11 LEU 5 12.043 -0.711 -1.265
41 HD12 LEU 5 HD12 LEU 5 11.454 -2.372 -1.309
42 HD13 LEU 5 HD13 LEU 5 13.064 -1.993 -1.914
43 HD21 LEU 5 HD21 LEU 5 14.040 -0.182 -0.010
44 HD22 LEU 5 HD22 LEU 5 14.993 -1.657 -0.161
45 HD23 LEU 5 HD23 LEU 5 14.458 -1.114 1.428
46 H CYS 6 HN CYS 6 10.048 -3.459 3.831
47 HA CYS 6 HA CYS 6 10.019 -5.959 2.281
48 HB2 CYS 6 HB2 CYS 6 9.960 -5.511 5.023
49 HB3 CYS 6 HB1 CYS 6 8.302 -5.940 4.627
50 H TYR 7 HN TYR 7 8.632 -6.042 0.702
51 HA TYR 7 HA TYR 7 6.289 -4.358 0.598
52 HB2 TYR 7 HB2 TYR 7 7.416 -6.506 -1.199
53 HB3 TYR 7 HB1 TYR 7 5.854 -5.748 -1.510
54 HD1 TYR 7 HD1 TYR 7 5.845 -3.109 -1.358
55 HD2 TYR 7 HD2 TYR 7 9.330 -5.506 -2.089
56 HE1 TYR 7 HE1 TYR 7 6.981 -1.146 -2.344
57 HE2 TYR 7 HE2 TYR 7 10.470 -3.546 -3.079
58 HH TYR 7 HH TYR 7 9.145 -1.035 -4.239
59 H CYS 8 HN CYS 8 4.501 -4.842 1.707
60 HA CYS 8 HA CYS 8 3.863 -7.683 2.212
61 HB2 CYS 8 HB2 CYS 8 2.932 -5.252 3.747
62 HB3 CYS 8 HB1 CYS 8 2.625 -6.938 4.162
63 H ARG 9 HN ARG 9 2.403 -8.434 0.865
64 HA ARG 9 HA ARG 9 0.088 -6.721 0.166
65 HB2 ARG 9 HB2 ARG 9 1.504 -8.798 -1.524
66 HB3 ARG 9 HB1 ARG 9 -0.014 -8.021 -1.968
67 HG2 ARG 9 HG2 ARG 9 2.223 -6.208 -1.189
68 HG3 ARG 9 HG1 ARG 9 2.396 -7.052 -2.728
69 HD2 ARG 9 HD2 ARG 9 1.157 -4.728 -2.639
70 HD3 ARG 9 HD1 ARG 9 0.536 -6.019 -3.663
71 HE ARG 9 HE ARG 9 -0.804 -6.457 -1.368
72 HH11 ARG 9 HH21 ARG 9 -0.145 -3.595 -3.200
73 HH12 ARG 9 HH22 ARG 9 -1.613 -2.796 -2.740
74 HH21 ARG 9 HH11 ARG 9 -2.728 -5.415 -0.760
75 HH22 ARG 9 HH12 ARG 9 -3.074 -3.825 -1.358
76 H ARG 10 HN ARG 10 -1.930 -7.656 0.305
77 HA ARG 10 HA ARG 10 -3.505 -9.052 1.252
78 HB2 ARG 10 HB2 ARG 10 -1.876 -11.290 0.054
79 HB3 ARG 10 HB1 ARG 10 -3.627 -11.181 0.231
80 HG2 ARG 10 HG2 ARG 10 -3.474 -9.122 -1.316
81 HG3 ARG 10 HG1 ARG 10 -1.848 -9.689 -1.697
82 HD2 ARG 10 HD2 ARG 10 -3.108 -10.741 -3.353
83 HD3 ARG 10 HD1 ARG 10 -3.046 -11.990 -2.114
84 HE ARG 10 HE ARG 10 -5.332 -11.702 -1.784
85 HH11 ARG 10 HH21 ARG 10 -3.977 -9.086 -3.601
86 HH12 ARG 10 HH22 ARG 10 -5.509 -8.379 -3.987
87 HH21 ARG 10 HH11 ARG 10 -7.346 -10.778 -2.284
88 HH22 ARG 10 HH12 ARG 10 -7.419 -9.335 -3.240
89 H ARG 11 HN ARG 11 -2.233 -11.990 1.632
90 HA ARG 11 HA ARG 11 -1.521 -11.489 4.454
91 HB2 ARG 11 HB2 ARG 11 -2.063 -13.909 4.763
92 HB3 ARG 11 HB1 ARG 11 -3.434 -12.936 4.232
93 HG2 ARG 11 HG2 ARG 11 -2.834 -13.620 1.849
94 HG3 ARG 11 HG1 ARG 11 -1.729 -14.797 2.564
95 HD2 ARG 11 HD2 ARG 11 -3.984 -15.754 2.045
96 HD3 ARG 11 HD1 ARG 11 -3.548 -15.871 3.747
97 HE ARG 11 HE ARG 11 -5.151 -14.202 4.246
98 HH11 ARG 11 HH21 ARG 11 -4.894 -14.882 0.857
99 HH12 ARG 11 HH22 ARG 11 -6.388 -14.109 0.451
100 HH21 ARG 11 HH11 ARG 11 -7.110 -13.189 3.714
101 HH22 ARG 11 HH12 ARG 11 -7.641 -13.151 2.066
102 H PHE 12 HN PHE 12 0.479 -10.971 2.632
103 HA PHE 12 HA PHE 12 2.505 -12.840 3.485
104 HB2 PHE 12 HB2 PHE 12 1.499 -13.974 1.481
105 HB3 PHE 12 HB1 PHE 12 1.993 -12.584 0.514
106 HD1 PHE 12 HD2 PHE 12 3.426 -14.970 3.037
107 HD2 PHE 12 HD1 PHE 12 4.084 -12.662 -0.527
108 HE1 PHE 12 HE2 PHE 12 5.704 -15.928 2.835
109 HE2 PHE 12 HE1 PHE 12 6.359 -13.622 -0.729
110 HZ PHE 12 HZ PHE 12 7.171 -15.256 0.953
111 H CYS 13 HN CYS 13 4.626 -12.040 3.153
112 HA CYS 13 HA CYS 13 4.911 -9.447 1.832
113 HB2 CYS 13 HB2 CYS 13 4.296 -9.112 4.303
114 HB3 CYS 13 HB1 CYS 13 5.889 -9.777 4.667
115 H VAL 14 HN VAL 14 7.156 -8.805 1.532
116 HA VAL 14 HA VAL 14 9.152 -10.921 1.968
117 HB VAL 14 HB VAL 14 8.205 -11.470 -0.212
118 HG11 VAL 14 HG11 VAL 14 8.174 -9.878 -2.028
119 HG12 VAL 14 HG12 VAL 14 9.022 -8.676 -1.058
120 HG13 VAL 14 HG13 VAL 14 7.366 -9.128 -0.652
121 HG21 VAL 14 HG21 VAL 14 10.719 -11.561 0.247
122 HG22 VAL 14 HG22 VAL 14 10.843 -10.049 -0.655
123 HG23 VAL 14 HG23 VAL 14 10.251 -11.507 -1.453
124 H CYS 15 HN CYS 15 11.175 -10.158 2.277
125 HA CYS 15 HA CYS 15 11.527 -7.241 2.252
126 HB2 CYS 15 HB2 CYS 15 12.860 -9.504 3.697
127 HB3 CYS 15 HB1 CYS 15 13.669 -7.943 3.548
128 H VAL 16 HN VAL 16 13.207 -6.215 1.215
129 HA VAL 16 HA VAL 16 14.677 -5.839 -0.507
130 HB VAL 16 HB VAL 16 15.645 -8.646 0.064
131 HG11 VAL 16 HG11 VAL 16 17.842 -7.536 -0.574
132 HG12 VAL 16 HG12 VAL 16 16.895 -6.148 -1.108
133 HG13 VAL 16 HG13 VAL 16 16.685 -7.713 -1.891
134 HG21 VAL 16 HG21 VAL 16 17.169 -7.535 1.701
135 HG22 VAL 16 HG22 VAL 16 15.473 -7.411 2.173
136 HG23 VAL 16 HG23 VAL 16 16.294 -6.026 1.454
Start of MODEL 16
1 H1 ARG 1 HT1 ARG 1 11.837 5.791 4.544
2 H2 ARG 1 HT2 ARG 1 13.527 5.958 4.523
3 H3 ARG 1 HT3 ARG 1 12.791 4.913 5.639
4 HA ARG 1 HA ARG 1 12.730 3.237 4.213
5 HB2 ARG 1 HB2 ARG 1 11.450 5.364 2.559
6 HB3 ARG 1 HB1 ARG 1 12.082 3.973 1.686
7 HG2 ARG 1 HG2 ARG 1 9.875 3.329 2.184
8 HG3 ARG 1 HG1 ARG 1 10.806 2.553 3.461
9 HD2 ARG 1 HD2 ARG 1 9.374 5.215 3.695
10 HD3 ARG 1 HD1 ARG 1 8.818 3.689 4.377
11 HE ARG 1 HE ARG 1 11.408 4.134 5.338
12 HH11 ARG 1 HH21 ARG 1 8.258 5.563 5.457
13 HH12 ARG 1 HH22 ARG 1 8.480 6.255 7.032
14 HH21 ARG 1 HH11 ARG 1 11.707 5.038 7.400
15 HH22 ARG 1 HH12 ARG 1 10.434 5.956 8.129
16 H GLY 2 HN GLY 2 13.599 2.933 1.615
17 HA2 GLY 2 HA2 GLY 2 15.414 3.338 0.144
18 HA3 GLY 2 HA1 GLY 2 16.168 4.336 1.384
19 H GLY 3 HN GLY 3 16.967 1.839 -0.247
20 HA2 GLY 3 HA2 GLY 3 18.564 0.204 0.154
21 HA3 GLY 3 HA1 GLY 3 18.508 0.619 1.865
22 H ARG 4 HN ARG 4 16.652 -0.177 3.116
23 HA ARG 4 HA ARG 4 16.010 -2.917 2.346
24 HB2 ARG 4 HB2 ARG 4 15.232 -3.173 4.619
25 HB3 ARG 4 HB1 ARG 4 16.780 -2.327 4.655
26 HG2 ARG 4 HG2 ARG 4 15.468 -0.153 4.700
27 HG3 ARG 4 HG1 ARG 4 14.018 -1.120 4.951
28 HD2 ARG 4 HD2 ARG 4 14.473 -1.250 7.155
29 HD3 ARG 4 HD1 ARG 4 16.017 -2.020 6.802
30 HE ARG 4 HE ARG 4 15.579 0.780 7.437
31 HH11 ARG 4 HH21 ARG 4 17.642 -1.627 6.054
32 HH12 ARG 4 HH22 ARG 4 19.087 -0.689 6.235
33 HH21 ARG 4 HH11 ARG 4 17.469 2.015 7.679
34 HH22 ARG 4 HH12 ARG 4 18.990 1.371 7.155
35 H LEU 5 HN LEU 5 13.947 -3.720 2.030
36 HA LEU 5 HA LEU 5 11.611 -2.056 2.340
37 HB2 LEU 5 HB2 LEU 5 11.001 -2.244 -0.117
38 HB3 LEU 5 HB1 LEU 5 12.281 -1.092 0.263
39 HG LEU 5 HG LEU 5 13.319 -3.797 -0.225
40 HD11 LEU 5 HD11 LEU 5 11.499 -3.998 -1.799
41 HD12 LEU 5 HD12 LEU 5 12.962 -3.641 -2.716
42 HD13 LEU 5 HD13 LEU 5 11.781 -2.367 -2.410
43 HD21 LEU 5 HD21 LEU 5 14.552 -1.547 -0.123
44 HD22 LEU 5 HD22 LEU 5 13.879 -1.227 -1.722
45 HD23 LEU 5 HD23 LEU 5 14.960 -2.600 -1.479
46 H CYS 6 HN CYS 6 9.831 -3.311 2.600
47 HA CYS 6 HA CYS 6 10.042 -6.143 1.792
48 HB2 CYS 6 HB2 CYS 6 10.323 -5.551 4.327
49 HB3 CYS 6 HB1 CYS 6 8.573 -5.363 4.283
50 H TYR 7 HN TYR 7 8.602 -6.533 0.291
51 HA TYR 7 HA TYR 7 6.241 -4.936 -0.057
52 HB2 TYR 7 HB2 TYR 7 7.287 -7.445 -1.368
53 HB3 TYR 7 HB1 TYR 7 5.712 -6.761 -1.775
54 HD1 TYR 7 HD2 TYR 7 5.604 -4.310 -2.485
55 HD2 TYR 7 HD1 TYR 7 9.268 -6.539 -2.281
56 HE1 TYR 7 HE2 TYR 7 6.698 -2.638 -3.946
57 HE2 TYR 7 HE1 TYR 7 10.364 -4.866 -3.739
58 HH TYR 7 HH TYR 7 8.646 -1.941 -4.804
59 H CYS 8 HN CYS 8 4.475 -5.142 1.159
60 HA CYS 8 HA CYS 8 3.685 -7.839 2.072
61 HB2 CYS 8 HB2 CYS 8 4.625 -5.853 3.749
62 HB3 CYS 8 HB1 CYS 8 2.876 -5.660 3.860
63 H ARG 9 HN ARG 9 1.838 -8.369 1.160
64 HA ARG 9 HA ARG 9 -0.330 -6.389 1.039
65 HB2 ARG 9 HB2 ARG 9 1.087 -6.771 -1.199
66 HB3 ARG 9 HB1 ARG 9 0.026 -8.168 -1.333
67 HG2 ARG 9 HG2 ARG 9 -1.065 -6.352 -2.473
68 HG3 ARG 9 HG1 ARG 9 -1.935 -6.616 -0.964
69 HD2 ARG 9 HD2 ARG 9 -1.143 -4.168 -1.749
70 HD3 ARG 9 HD1 ARG 9 -1.238 -4.621 -0.051
71 HE ARG 9 HE ARG 9 1.097 -4.609 0.040
72 HH11 ARG 9 HH21 ARG 9 -0.069 -4.415 -3.212
73 HH12 ARG 9 HH22 ARG 9 1.480 -4.043 -3.892
74 HH21 ARG 9 HH11 ARG 9 3.132 -4.115 -0.845
75 HH22 ARG 9 HH12 ARG 9 3.292 -3.871 -2.553
76 H ARG 10 HN ARG 10 -2.367 -7.260 1.271
77 HA ARG 10 HA ARG 10 -3.926 -8.778 2.011
78 HB2 ARG 10 HB2 ARG 10 -2.289 -10.444 0.099
79 HB3 ARG 10 HB1 ARG 10 -3.706 -11.092 0.928
80 HG2 ARG 10 HG2 ARG 10 -5.135 -9.408 -0.048
81 HG3 ARG 10 HG1 ARG 10 -3.749 -8.550 -0.722
82 HD2 ARG 10 HD2 ARG 10 -3.531 -10.011 -2.469
83 HD3 ARG 10 HD1 ARG 10 -3.964 -11.407 -1.488
84 HE ARG 10 HE ARG 10 -6.323 -10.091 -1.704
85 HH11 ARG 10 HH21 ARG 10 -3.883 -11.034 -3.970
86 HH12 ARG 10 HH22 ARG 10 -4.992 -11.249 -5.285
87 HH21 ARG 10 HH11 ARG 10 -7.782 -10.373 -3.422
88 HH22 ARG 10 HH12 ARG 10 -7.199 -10.875 -4.974
89 H ARG 11 HN ARG 11 -1.863 -11.507 1.722
90 HA ARG 11 HA ARG 11 -1.329 -11.485 4.636
91 HB2 ARG 11 HB2 ARG 11 -2.197 -13.843 2.946
92 HB3 ARG 11 HB1 ARG 11 -1.764 -13.913 4.653
93 HG2 ARG 11 HG2 ARG 11 -3.795 -13.139 5.303
94 HG3 ARG 11 HG1 ARG 11 -3.769 -11.843 4.112
95 HD2 ARG 11 HD2 ARG 11 -4.520 -14.731 3.589
96 HD3 ARG 11 HD1 ARG 11 -5.626 -13.362 3.641
97 HE ARG 11 HE ARG 11 -3.685 -12.761 1.729
98 HH11 ARG 11 HH21 ARG 11 -6.142 -15.125 2.322
99 HH12 ARG 11 HH22 ARG 11 -6.462 -15.418 0.645
100 HH21 ARG 11 HH11 ARG 11 -4.099 -13.140 -0.473
101 HH22 ARG 11 HH12 ARG 11 -5.305 -14.292 -0.937
102 H PHE 12 HN PHE 12 0.026 -11.458 1.632
103 HA PHE 12 HA PHE 12 2.266 -13.240 2.299
104 HB2 PHE 12 HB2 PHE 12 1.944 -11.671 -0.253
105 HB3 PHE 12 HB1 PHE 12 2.862 -13.152 0.018
106 HD1 PHE 12 HD2 PHE 12 1.246 -15.058 1.224
107 HD2 PHE 12 HD1 PHE 12 0.004 -11.984 -1.507
108 HE1 PHE 12 HE2 PHE 12 -0.741 -16.408 0.607
109 HE2 PHE 12 HE1 PHE 12 -1.981 -13.334 -2.125
110 HZ PHE 12 HZ PHE 12 -2.353 -15.547 -1.068
111 H CYS 13 HN CYS 13 4.389 -12.526 2.459
112 HA CYS 13 HA CYS 13 4.931 -9.657 2.278
113 HB2 CYS 13 HB2 CYS 13 4.249 -10.647 4.716
114 HB3 CYS 13 HB1 CYS 13 5.992 -10.909 4.742
115 H VAL 14 HN VAL 14 7.037 -9.178 1.745
116 HA VAL 14 HA VAL 14 9.049 -11.312 1.839
117 HB VAL 14 HB VAL 14 8.260 -9.925 -0.733
118 HG11 VAL 14 HG11 VAL 14 10.620 -10.257 -0.771
119 HG12 VAL 14 HG12 VAL 14 9.944 -11.625 -1.653
120 HG13 VAL 14 HG13 VAL 14 10.486 -11.831 0.012
121 HG21 VAL 14 HG21 VAL 14 6.658 -11.647 -0.242
122 HG22 VAL 14 HG22 VAL 14 7.919 -12.755 0.295
123 HG23 VAL 14 HG23 VAL 14 7.783 -12.334 -1.412
124 H CYS 15 HN CYS 15 10.811 -10.438 2.690
125 HA CYS 15 HA CYS 15 11.300 -7.547 2.399
126 HB2 CYS 15 HB2 CYS 15 12.497 -9.587 4.280
127 HB3 CYS 15 HB1 CYS 15 12.906 -7.874 4.254
128 H VAL 16 HN VAL 16 13.397 -6.749 1.869
129 HA VAL 16 HA VAL 16 14.575 -7.627 -0.399
130 HB VAL 16 HB VAL 16 15.201 -5.539 0.775
131 HG11 VAL 16 HG11 VAL 16 16.683 -5.565 2.657
132 HG12 VAL 16 HG12 VAL 16 16.976 -7.296 2.486
133 HG13 VAL 16 HG13 VAL 16 15.401 -6.717 3.029
134 HG21 VAL 16 HG21 VAL 16 17.623 -7.292 0.271
135 HG22 VAL 16 HG22 VAL 16 17.515 -5.541 0.083
136 HG23 VAL 16 HG23 VAL 16 16.640 -6.602 -1.022
Start of MODEL 17
1 H1 ARG 1 HT1 ARG 1 17.453 -11.410 8.296
2 H2 ARG 1 HT2 ARG 1 17.437 -9.782 8.780
3 H3 ARG 1 HT3 ARG 1 18.620 -10.840 9.387
4 HA ARG 1 HA ARG 1 19.852 -9.813 7.800
5 HB2 ARG 1 HB2 ARG 1 19.431 -12.334 7.313
6 HB3 ARG 1 HB1 ARG 1 18.452 -11.755 5.966
7 HG2 ARG 1 HG2 ARG 1 20.474 -10.332 5.299
8 HG3 ARG 1 HG1 ARG 1 21.401 -11.294 6.452
9 HD2 ARG 1 HD2 ARG 1 19.986 -12.225 3.957
10 HD3 ARG 1 HD1 ARG 1 21.687 -12.400 4.374
11 HE ARG 1 HE ARG 1 20.233 -13.750 6.335
12 HH11 ARG 1 HH21 ARG 1 20.756 -13.865 2.916
13 HH12 ARG 1 HH22 ARG 1 20.518 -15.577 2.799
14 HH21 ARG 1 HH11 ARG 1 19.923 -15.995 6.187
15 HH22 ARG 1 HH12 ARG 1 20.048 -16.782 4.649
16 H GLY 2 HN GLY 2 19.764 -7.955 6.710
17 HA2 GLY 2 HA2 GLY 2 19.113 -6.427 5.072
18 HA3 GLY 2 HA1 GLY 2 17.804 -7.513 4.616
19 H GLY 3 HN GLY 3 15.873 -6.619 4.920
20 HA2 GLY 3 HA2 GLY 3 14.093 -5.771 6.188
21 HA3 GLY 3 HA1 GLY 3 15.231 -5.344 7.464
22 H ARG 4 HN ARG 4 15.698 -4.483 4.095
23 HA ARG 4 HA ARG 4 15.846 -1.673 4.810
24 HB2 ARG 4 HB2 ARG 4 16.015 -2.724 1.997
25 HB3 ARG 4 HB1 ARG 4 16.844 -1.346 2.722
26 HG2 ARG 4 HG2 ARG 4 17.952 -3.142 4.270
27 HG3 ARG 4 HG1 ARG 4 17.446 -4.282 3.022
28 HD2 ARG 4 HD2 ARG 4 19.552 -3.703 2.235
29 HD3 ARG 4 HD1 ARG 4 18.563 -2.510 1.400
30 HE ARG 4 HE ARG 4 19.511 -0.853 2.739
31 HH11 ARG 4 HH21 ARG 4 20.213 -4.021 3.937
32 HH12 ARG 4 HH22 ARG 4 21.354 -3.472 5.119
33 HH21 ARG 4 HH11 ARG 4 21.004 -0.123 4.287
34 HH22 ARG 4 HH12 ARG 4 21.803 -1.263 5.317
35 H LEU 5 HN LEU 5 13.920 -3.658 2.548
36 HA LEU 5 HA LEU 5 11.642 -1.865 2.939
37 HB2 LEU 5 HB2 LEU 5 12.632 -0.765 1.077
38 HB3 LEU 5 HB1 LEU 5 13.029 -2.291 0.290
39 HG LEU 5 HG LEU 5 10.699 -2.757 -0.139
40 HD11 LEU 5 HD11 LEU 5 10.269 -0.410 1.708
41 HD12 LEU 5 HD12 LEU 5 9.541 -2.016 1.774
42 HD13 LEU 5 HD13 LEU 5 9.030 -0.869 0.537
43 HD21 LEU 5 HD21 LEU 5 11.424 0.124 -0.746
44 HD22 LEU 5 HD22 LEU 5 10.082 -0.736 -1.496
45 HD23 LEU 5 HD23 LEU 5 11.737 -1.280 -1.767
46 H CYS 6 HN CYS 6 10.161 -3.313 3.579
47 HA CYS 6 HA CYS 6 10.041 -5.906 2.183
48 HB2 CYS 6 HB2 CYS 6 8.649 -5.369 4.779
49 HB3 CYS 6 HB1 CYS 6 9.255 -6.894 4.133
50 H TYR 7 HN TYR 7 8.482 -6.228 0.796
51 HA TYR 7 HA TYR 7 6.194 -4.433 0.666
52 HB2 TYR 7 HB2 TYR 7 7.157 -6.724 -1.055
53 HB3 TYR 7 HB1 TYR 7 5.632 -5.885 -1.346
54 HD1 TYR 7 HD1 TYR 7 9.306 -5.476 -1.148
55 HD2 TYR 7 HD2 TYR 7 5.571 -3.671 -2.254
56 HE1 TYR 7 HE1 TYR 7 10.528 -3.647 -2.284
57 HE2 TYR 7 HE2 TYR 7 6.786 -1.844 -3.389
58 HH TYR 7 HH TYR 7 10.053 -2.003 -4.150
59 H CYS 8 HN CYS 8 4.089 -4.992 1.159
60 HA CYS 8 HA CYS 8 3.642 -7.731 2.178
61 HB2 CYS 8 HB2 CYS 8 3.221 -5.133 3.511
62 HB3 CYS 8 HB1 CYS 8 1.879 -6.267 3.648
63 H ARG 9 HN ARG 9 2.478 -8.633 0.624
64 HA ARG 9 HA ARG 9 0.233 -7.146 -0.566
65 HB2 ARG 9 HB2 ARG 9 1.557 -9.751 -1.355
66 HB3 ARG 9 HB1 ARG 9 0.188 -9.026 -2.198
67 HG2 ARG 9 HG2 ARG 9 1.716 -6.904 -2.326
68 HG3 ARG 9 HG1 ARG 9 3.028 -8.042 -2.010
69 HD2 ARG 9 HD2 ARG 9 2.745 -7.794 -4.419
70 HD3 ARG 9 HD1 ARG 9 2.257 -9.418 -3.937
71 HE ARG 9 HE ARG 9 0.072 -7.526 -3.998
72 HH11 ARG 9 HH21 ARG 9 2.044 -9.727 -5.797
73 HH12 ARG 9 HH22 ARG 9 0.850 -10.012 -7.019
74 HH21 ARG 9 HH11 ARG 9 -1.499 -7.897 -5.597
75 HH22 ARG 9 HH12 ARG 9 -1.154 -8.975 -6.907
76 H ARG 10 HN ARG 10 -1.151 -7.296 1.271
77 HA ARG 10 HA ARG 10 -2.889 -8.220 2.449
78 HB2 ARG 10 HB2 ARG 10 -3.439 -9.119 0.139
79 HB3 ARG 10 HB1 ARG 10 -2.649 -10.615 0.627
80 HG2 ARG 10 HG2 ARG 10 -4.654 -11.233 1.489
81 HG3 ARG 10 HG1 ARG 10 -4.336 -10.069 2.773
82 HD2 ARG 10 HD2 ARG 10 -5.824 -9.532 0.189
83 HD3 ARG 10 HD1 ARG 10 -6.525 -9.614 1.801
84 HE ARG 10 HE ARG 10 -4.483 -7.656 1.773
85 HH11 ARG 10 HH21 ARG 10 -7.648 -8.312 0.533
86 HH12 ARG 10 HH22 ARG 10 -8.117 -6.647 0.465
87 HH21 ARG 10 HH11 ARG 10 -5.090 -5.471 1.679
88 HH22 ARG 10 HH12 ARG 10 -6.667 -5.038 1.113
89 H ARG 11 HN ARG 11 -2.442 -11.495 2.045
90 HA ARG 11 HA ARG 11 -1.429 -11.780 4.749
91 HB2 ARG 11 HB2 ARG 11 -2.472 -13.706 2.676
92 HB3 ARG 11 HB1 ARG 11 -1.765 -14.260 4.195
93 HG2 ARG 11 HG2 ARG 11 -3.478 -13.353 5.486
94 HG3 ARG 11 HG1 ARG 11 -3.882 -12.134 4.278
95 HD2 ARG 11 HD2 ARG 11 -4.325 -15.088 3.814
96 HD3 ARG 11 HD1 ARG 11 -5.552 -14.048 4.529
97 HE ARG 11 HE ARG 11 -4.457 -13.117 1.996
98 HH11 ARG 11 HH21 ARG 11 -6.897 -14.902 3.680
99 HH12 ARG 11 HH22 ARG 11 -8.051 -14.811 2.389
100 HH21 ARG 11 HH11 ARG 11 -5.962 -12.991 0.301
101 HH22 ARG 11 HH12 ARG 11 -7.519 -13.729 0.477
102 H PHE 12 HN PHE 12 -0.061 -11.567 1.680
103 HA PHE 12 HA PHE 12 2.257 -13.247 2.388
104 HB2 PHE 12 HB2 PHE 12 0.885 -12.688 -0.055
105 HB3 PHE 12 HB1 PHE 12 2.518 -12.042 -0.203
106 HD1 PHE 12 HD2 PHE 12 0.880 -15.081 1.297
107 HD2 PHE 12 HD1 PHE 12 4.085 -13.515 -1.099
108 HE1 PHE 12 HE2 PHE 12 1.748 -17.379 0.954
109 HE2 PHE 12 HE1 PHE 12 4.952 -15.811 -1.440
110 HZ PHE 12 HZ PHE 12 3.784 -17.743 -0.415
111 H CYS 13 HN CYS 13 4.313 -12.405 2.595
112 HA CYS 13 HA CYS 13 4.784 -9.569 2.122
113 HB2 CYS 13 HB2 CYS 13 4.837 -10.799 4.880
114 HB3 CYS 13 HB1 CYS 13 5.669 -9.295 4.487
115 H VAL 14 HN VAL 14 6.864 -9.131 1.637
116 HA VAL 14 HA VAL 14 8.990 -11.023 2.348
117 HB VAL 14 HB VAL 14 8.574 -10.215 -0.535
118 HG11 VAL 14 HG11 VAL 14 10.244 -12.398 0.750
119 HG12 VAL 14 HG12 VAL 14 10.873 -10.832 0.237
120 HG13 VAL 14 HG13 VAL 14 10.226 -11.955 -0.956
121 HG21 VAL 14 HG21 VAL 14 6.688 -11.620 0.069
122 HG22 VAL 14 HG22 VAL 14 7.748 -12.752 0.908
123 HG23 VAL 14 HG23 VAL 14 7.833 -12.600 -0.846
124 H CYS 15 HN CYS 15 11.092 -10.133 2.160
125 HA CYS 15 HA CYS 15 11.150 -7.209 1.733
126 HB2 CYS 15 HB2 CYS 15 11.360 -8.240 4.172
127 HB3 CYS 15 HB1 CYS 15 13.037 -8.456 3.673
128 H VAL 16 HN VAL 16 13.204 -6.300 1.124
129 HA VAL 16 HA VAL 16 14.974 -6.203 -0.335
130 HB VAL 16 HB VAL 16 15.696 -8.968 0.630
131 HG11 VAL 16 HG11 VAL 16 17.058 -7.796 -1.143
132 HG12 VAL 16 HG12 VAL 16 17.960 -8.167 0.328
133 HG13 VAL 16 HG13 VAL 16 17.389 -6.525 0.033
134 HG21 VAL 16 HG21 VAL 16 15.979 -6.313 2.073
135 HG22 VAL 16 HG22 VAL 16 16.810 -7.797 2.546
136 HG23 VAL 16 HG23 VAL 16 15.050 -7.713 2.613
Start of MODEL 18
1 H1 ARG 1 HT1 ARG 1 24.191 -3.714 0.425
2 H2 ARG 1 HT2 ARG 1 24.449 -4.129 -1.202
3 H3 ARG 1 HT3 ARG 1 22.867 -3.920 -0.617
4 HA ARG 1 HA ARG 1 24.820 -1.711 -0.523
5 HB2 ARG 1 HB2 ARG 1 24.448 -2.799 -2.881
6 HB3 ARG 1 HB1 ARG 1 22.854 -2.050 -2.781
7 HG2 ARG 1 HG2 ARG 1 24.039 -0.323 -3.774
8 HG3 ARG 1 HG1 ARG 1 24.278 0.089 -2.079
9 HD2 ARG 1 HD2 ARG 1 26.447 0.190 -3.024
10 HD3 ARG 1 HD1 ARG 1 26.398 -1.367 -2.203
11 HE ARG 1 HE ARG 1 25.581 -1.572 -4.946
12 HH11 ARG 1 HH21 ARG 1 28.280 -1.322 -2.796
13 HH12 ARG 1 HH22 ARG 1 29.380 -2.129 -3.862
14 HH21 ARG 1 HH11 ARG 1 27.016 -2.631 -6.350
15 HH22 ARG 1 HH12 ARG 1 28.664 -2.870 -5.877
16 H GLY 2 HN GLY 2 22.540 -0.252 -1.912
17 HA2 GLY 2 HA2 GLY 2 21.045 0.352 0.531
18 HA3 GLY 2 HA1 GLY 2 21.060 1.307 -0.948
19 H GLY 3 HN GLY 3 18.844 0.132 0.750
20 HA2 GLY 3 HA2 GLY 3 16.977 -0.374 -1.268
21 HA3 GLY 3 HA1 GLY 3 17.554 -1.936 -0.693
22 H ARG 4 HN ARG 4 16.784 -2.740 1.194
23 HA ARG 4 HA ARG 4 15.514 -2.937 3.094
24 HB2 ARG 4 HB2 ARG 4 16.937 -0.845 3.673
25 HB3 ARG 4 HB1 ARG 4 15.462 0.062 3.342
26 HG2 ARG 4 HG2 ARG 4 14.243 -1.261 5.009
27 HG3 ARG 4 HG1 ARG 4 15.684 -2.232 5.314
28 HD2 ARG 4 HD2 ARG 4 16.879 -0.311 6.165
29 HD3 ARG 4 HD1 ARG 4 15.572 0.770 5.690
30 HE ARG 4 HE ARG 4 14.410 -1.060 7.400
31 HH11 ARG 4 HH21 ARG 4 17.048 1.178 7.489
32 HH12 ARG 4 HH22 ARG 4 16.908 1.488 9.187
33 HH21 ARG 4 HH11 ARG 4 14.220 -0.655 9.629
34 HH22 ARG 4 HH12 ARG 4 15.309 0.451 10.398
35 H LEU 5 HN LEU 5 14.071 -3.266 0.929
36 HA LEU 5 HA LEU 5 11.648 -1.592 1.285
37 HB2 LEU 5 HB2 LEU 5 11.985 -3.211 -1.195
38 HB3 LEU 5 HB1 LEU 5 11.256 -1.621 -0.979
39 HG LEU 5 HG LEU 5 14.240 -2.143 -0.807
40 HD11 LEU 5 HD11 LEU 5 14.305 -1.061 -3.054
41 HD12 LEU 5 HD12 LEU 5 12.543 -1.119 -3.100
42 HD13 LEU 5 HD13 LEU 5 13.473 -2.616 -3.070
43 HD21 LEU 5 HD21 LEU 5 12.783 0.466 -1.272
44 HD22 LEU 5 HD22 LEU 5 14.459 0.227 -0.783
45 HD23 LEU 5 HD23 LEU 5 13.154 -0.111 0.352
46 H CYS 6 HN CYS 6 10.107 -2.654 2.366
47 HA CYS 6 HA CYS 6 9.954 -5.592 2.077
48 HB2 CYS 6 HB2 CYS 6 8.742 -4.046 4.347
49 HB3 CYS 6 HB1 CYS 6 9.172 -5.754 4.278
50 H TYR 7 HN TYR 7 8.513 -5.975 0.515
51 HA TYR 7 HA TYR 7 6.079 -4.407 0.277
52 HB2 TYR 7 HB2 TYR 7 7.183 -6.786 -1.220
53 HB3 TYR 7 HB1 TYR 7 5.585 -6.110 -1.546
54 HD1 TYR 7 HD1 TYR 7 9.209 -5.522 -1.704
55 HD2 TYR 7 HD2 TYR 7 5.323 -3.876 -2.490
56 HE1 TYR 7 HE1 TYR 7 10.244 -3.728 -3.057
57 HE2 TYR 7 HE2 TYR 7 6.352 -2.082 -3.845
58 HH TYR 7 HH TYR 7 8.325 -1.054 -4.347
59 H CYS 8 HN CYS 8 4.252 -4.859 1.361
60 HA CYS 8 HA CYS 8 3.731 -7.638 2.170
61 HB2 CYS 8 HB2 CYS 8 4.792 -6.332 4.058
62 HB3 CYS 8 HB1 CYS 8 3.372 -5.291 4.037
63 H ARG 9 HN ARG 9 1.819 -8.224 1.430
64 HA ARG 9 HA ARG 9 -0.485 -6.487 1.728
65 HB2 ARG 9 HB2 ARG 9 0.695 -5.991 -0.538
66 HB3 ARG 9 HB1 ARG 9 0.067 -7.561 -1.030
67 HG2 ARG 9 HG2 ARG 9 -1.532 -5.860 -1.689
68 HG3 ARG 9 HG1 ARG 9 -2.226 -6.800 -0.372
69 HD2 ARG 9 HD2 ARG 9 -2.213 -4.103 -0.379
70 HD3 ARG 9 HD1 ARG 9 -2.144 -5.047 1.106
71 HE ARG 9 HE ARG 9 0.093 -4.416 1.359
72 HH11 ARG 9 HH21 ARG 9 -1.158 -3.546 -1.749
73 HH12 ARG 9 HH22 ARG 9 0.197 -2.550 -2.168
74 HH21 ARG 9 HH11 ARG 9 1.873 -3.112 0.814
75 HH22 ARG 9 HH12 ARG 9 1.911 -2.306 -0.718
76 H ARG 10 HN ARG 10 -2.502 -7.626 1.306
77 HA ARG 10 HA ARG 10 -3.847 -9.447 1.744
78 HB2 ARG 10 HB2 ARG 10 -1.923 -10.907 -0.074
79 HB3 ARG 10 HB1 ARG 10 -3.640 -11.233 0.171
80 HG2 ARG 10 HG2 ARG 10 -3.979 -8.778 -0.654
81 HG3 ARG 10 HG1 ARG 10 -2.348 -8.947 -1.305
82 HD2 ARG 10 HD2 ARG 10 -3.730 -9.636 -3.087
83 HD3 ARG 10 HD1 ARG 10 -3.209 -11.150 -2.356
84 HE ARG 10 HE ARG 10 -5.399 -11.498 -1.603
85 HH11 ARG 10 HH21 ARG 10 -4.958 -8.320 -2.901
86 HH12 ARG 10 HH22 ARG 10 -6.649 -7.948 -2.932
87 HH21 ARG 10 HH11 ARG 10 -7.618 -11.015 -1.639
88 HH22 ARG 10 HH12 ARG 10 -8.155 -9.474 -2.218
89 H ARG 11 HN ARG 11 -2.197 -12.167 1.268
90 HA ARG 11 HA ARG 11 -1.372 -12.373 4.104
91 HB2 ARG 11 HB2 ARG 11 -1.882 -14.762 3.929
92 HB3 ARG 11 HB1 ARG 11 -3.292 -13.795 3.504
93 HG2 ARG 11 HG2 ARG 11 -2.527 -14.006 1.071
94 HG3 ARG 11 HG1 ARG 11 -1.410 -15.247 1.639
95 HD2 ARG 11 HD2 ARG 11 -4.346 -15.363 1.322
96 HD3 ARG 11 HD1 ARG 11 -3.159 -16.662 1.271
97 HE ARG 11 HE ARG 11 -3.693 -15.524 3.904
98 HH11 ARG 11 HH21 ARG 11 -4.343 -17.973 1.545
99 HH12 ARG 11 HH22 ARG 11 -4.977 -19.104 2.694
100 HH21 ARG 11 HH11 ARG 11 -4.525 -17.000 5.413
101 HH22 ARG 11 HH12 ARG 11 -5.080 -18.553 4.884
102 H PHE 12 HN PHE 12 0.379 -11.354 2.088
103 HA PHE 12 HA PHE 12 2.561 -13.240 2.423
104 HB2 PHE 12 HB2 PHE 12 2.740 -13.997 0.303
105 HB3 PHE 12 HB1 PHE 12 1.098 -13.408 0.068
106 HD1 PHE 12 HD2 PHE 12 0.667 -11.269 -1.055
107 HD2 PHE 12 HD1 PHE 12 4.666 -12.741 -0.509
108 HE1 PHE 12 HE2 PHE 12 1.502 -9.615 -2.703
109 HE2 PHE 12 HE1 PHE 12 5.500 -11.085 -2.157
110 HZ PHE 12 HZ PHE 12 3.919 -9.523 -3.255
111 H CYS 13 HN CYS 13 4.500 -12.229 2.569
112 HA CYS 13 HA CYS 13 4.852 -9.530 1.531
113 HB2 CYS 13 HB2 CYS 13 5.267 -10.033 4.480
114 HB3 CYS 13 HB1 CYS 13 5.305 -8.491 3.627
115 H VAL 14 HN VAL 14 7.123 -8.755 1.903
116 HA VAL 14 HA VAL 14 9.161 -10.557 2.741
117 HB VAL 14 HB VAL 14 8.456 -11.739 0.673
118 HG11 VAL 14 HG11 VAL 14 7.769 -9.552 -0.471
119 HG12 VAL 14 HG12 VAL 14 8.645 -10.710 -1.474
120 HG13 VAL 14 HG13 VAL 14 9.482 -9.309 -0.808
121 HG21 VAL 14 HG21 VAL 14 10.669 -12.057 -0.166
122 HG22 VAL 14 HG22 VAL 14 10.870 -11.614 1.529
123 HG23 VAL 14 HG23 VAL 14 11.147 -10.416 0.266
124 H CYS 15 HN CYS 15 11.270 -9.694 2.498
125 HA CYS 15 HA CYS 15 11.443 -6.945 1.463
126 HB2 CYS 15 HB2 CYS 15 11.000 -7.158 4.046
127 HB3 CYS 15 HB1 CYS 15 12.715 -7.577 4.101
128 H VAL 16 HN VAL 16 13.523 -6.250 0.896
129 HA VAL 16 HA VAL 16 15.438 -8.465 0.481
130 HB VAL 16 HB VAL 16 16.348 -7.130 -1.335
131 HG11 VAL 16 HG11 VAL 16 13.317 -7.241 -1.364
132 HG12 VAL 16 HG12 VAL 16 14.411 -8.530 -1.863
133 HG13 VAL 16 HG13 VAL 16 14.330 -7.034 -2.792
134 HG21 VAL 16 HG21 VAL 16 16.149 -4.895 -0.519
135 HG22 VAL 16 HG22 VAL 16 14.409 -5.056 -0.287
136 HG23 VAL 16 HG23 VAL 16 15.077 -4.976 -1.917
Start of MODEL 19
1 H1 ARG 1 HT1 ARG 1 18.241 3.012 6.060
2 H2 ARG 1 HT2 ARG 1 17.398 1.561 6.332
3 H3 ARG 1 HT3 ARG 1 17.421 2.771 7.526
4 HA ARG 1 HA ARG 1 15.302 2.770 6.394
5 HB2 ARG 1 HB2 ARG 1 16.198 4.914 7.197
6 HB3 ARG 1 HB1 ARG 1 17.088 5.121 5.690
7 HG2 ARG 1 HG2 ARG 1 14.968 6.413 5.696
8 HG3 ARG 1 HG1 ARG 1 14.991 5.192 4.425
9 HD2 ARG 1 HD2 ARG 1 12.874 5.434 5.972
10 HD3 ARG 1 HD1 ARG 1 13.442 3.834 5.510
11 HE ARG 1 HE ARG 1 14.763 4.169 7.803
12 HH11 ARG 1 HH21 ARG 1 11.492 4.906 6.940
13 HH12 ARG 1 HH22 ARG 1 10.872 4.667 8.539
14 HH21 ARG 1 HH11 ARG 1 13.955 3.851 9.900
15 HH22 ARG 1 HH12 ARG 1 12.267 4.069 10.214
16 H GLY 2 HN GLY 2 17.408 4.368 4.046
17 HA2 GLY 2 HA2 GLY 2 15.917 3.228 1.844
18 HA3 GLY 2 HA1 GLY 2 17.256 4.365 1.725
19 H GLY 3 HN GLY 3 16.369 0.988 2.011
20 HA2 GLY 3 HA2 GLY 3 18.403 -0.014 0.419
21 HA3 GLY 3 HA1 GLY 3 19.009 -0.081 2.070
22 H ARG 4 HN ARG 4 16.377 -0.511 3.242
23 HA ARG 4 HA ARG 4 15.880 -3.296 2.355
24 HB2 ARG 4 HB2 ARG 4 15.958 -2.112 5.133
25 HB3 ARG 4 HB1 ARG 4 15.219 -3.673 4.782
26 HG2 ARG 4 HG2 ARG 4 17.281 -4.600 4.036
27 HG3 ARG 4 HG1 ARG 4 18.046 -3.013 3.946
28 HD2 ARG 4 HD2 ARG 4 18.092 -2.793 6.322
29 HD3 ARG 4 HD1 ARG 4 17.013 -4.169 6.541
30 HE ARG 4 HE ARG 4 19.517 -4.793 5.209
31 HH11 ARG 4 HH21 ARG 4 17.778 -4.492 8.186
32 HH12 ARG 4 HH22 ARG 4 18.816 -5.568 9.060
33 HH21 ARG 4 HH11 ARG 4 20.882 -6.204 6.350
34 HH22 ARG 4 HH12 ARG 4 20.574 -6.537 8.021
35 H LEU 5 HN LEU 5 13.914 -3.586 1.551
36 HA LEU 5 HA LEU 5 11.679 -1.968 2.620
37 HB2 LEU 5 HB2 LEU 5 10.822 -2.337 0.115
38 HB3 LEU 5 HB1 LEU 5 11.822 -0.954 0.556
39 HG LEU 5 HG LEU 5 13.238 -3.476 -0.209
40 HD11 LEU 5 HD11 LEU 5 11.705 -1.701 -2.112
41 HD12 LEU 5 HD12 LEU 5 11.681 -3.461 -2.000
42 HD13 LEU 5 HD13 LEU 5 13.106 -2.638 -2.634
43 HD21 LEU 5 HD21 LEU 5 14.272 -1.220 0.524
44 HD22 LEU 5 HD22 LEU 5 13.779 -0.629 -1.062
45 HD23 LEU 5 HD23 LEU 5 14.918 -1.967 -0.935
46 H CYS 6 HN CYS 6 9.911 -3.111 3.175
47 HA CYS 6 HA CYS 6 9.863 -5.986 2.470
48 HB2 CYS 6 HB2 CYS 6 8.919 -4.552 4.949
49 HB3 CYS 6 HB1 CYS 6 8.506 -6.225 4.581
50 H TYR 7 HN TYR 7 8.533 -6.094 0.748
51 HA TYR 7 HA TYR 7 6.147 -4.518 0.498
52 HB2 TYR 7 HB2 TYR 7 7.272 -6.884 -0.996
53 HB3 TYR 7 HB1 TYR 7 5.670 -6.241 -1.358
54 HD1 TYR 7 HD2 TYR 7 5.591 -3.574 -1.541
55 HD2 TYR 7 HD1 TYR 7 9.074 -6.001 -2.184
56 HE1 TYR 7 HE2 TYR 7 6.608 -1.755 -2.871
57 HE2 TYR 7 HE1 TYR 7 10.093 -4.183 -3.516
58 HH TYR 7 HH TYR 7 8.498 -1.029 -3.853
59 H CYS 8 HN CYS 8 4.038 -5.092 0.950
60 HA CYS 8 HA CYS 8 3.598 -7.736 2.184
61 HB2 CYS 8 HB2 CYS 8 3.108 -5.041 3.330
62 HB3 CYS 8 HB1 CYS 8 1.868 -6.261 3.613
63 H ARG 9 HN ARG 9 2.458 -8.694 0.629
64 HA ARG 9 HA ARG 9 0.150 -7.276 -0.537
65 HB2 ARG 9 HB2 ARG 9 2.093 -8.738 -1.780
66 HB3 ARG 9 HB1 ARG 9 0.864 -9.973 -1.535
67 HG2 ARG 9 HG2 ARG 9 0.263 -9.054 -3.611
68 HG3 ARG 9 HG1 ARG 9 -0.790 -8.199 -2.487
69 HD2 ARG 9 HD2 ARG 9 0.403 -6.741 -4.205
70 HD3 ARG 9 HD1 ARG 9 0.584 -6.247 -2.526
71 HE ARG 9 HE ARG 9 2.850 -6.805 -2.647
72 HH11 ARG 9 HH21 ARG 9 1.092 -7.968 -5.391
73 HH12 ARG 9 HH22 ARG 9 2.509 -8.396 -6.290
74 HH21 ARG 9 HH11 ARG 9 4.712 -7.367 -3.818
75 HH22 ARG 9 HH12 ARG 9 4.559 -8.056 -5.399
76 H ARG 10 HN ARG 10 -1.560 -7.516 0.791
77 HA ARG 10 HA ARG 10 -3.168 -8.512 2.100
78 HB2 ARG 10 HB2 ARG 10 -3.408 -9.659 -0.208
79 HB3 ARG 10 HB1 ARG 10 -2.634 -11.045 0.558
80 HG2 ARG 10 HG2 ARG 10 -4.853 -11.540 1.009
81 HG3 ARG 10 HG1 ARG 10 -4.461 -10.593 2.443
82 HD2 ARG 10 HD2 ARG 10 -6.485 -9.655 1.668
83 HD3 ARG 10 HD1 ARG 10 -5.248 -8.546 1.088
84 HE ARG 10 HE ARG 10 -6.726 -10.504 -0.557
85 HH11 ARG 10 HH21 ARG 10 -4.531 -7.832 -0.248
86 HH12 ARG 10 HH22 ARG 10 -4.566 -7.440 -1.933
87 HH21 ARG 10 HH11 ARG 10 -6.765 -9.986 -2.760
88 HH22 ARG 10 HH12 ARG 10 -5.826 -8.656 -3.353
89 H ARG 11 HN ARG 11 -2.820 -11.667 2.265
90 HA ARG 11 HA ARG 11 -1.537 -11.575 4.857
91 HB2 ARG 11 HB2 ARG 11 -2.404 -14.090 3.454
92 HB3 ARG 11 HB1 ARG 11 -2.373 -13.735 5.182
93 HG2 ARG 11 HG2 ARG 11 -4.079 -11.839 4.542
94 HG3 ARG 11 HG1 ARG 11 -4.330 -12.806 3.093
95 HD2 ARG 11 HD2 ARG 11 -5.338 -14.526 4.251
96 HD3 ARG 11 HD1 ARG 11 -4.402 -14.238 5.715
97 HE ARG 11 HE ARG 11 -5.991 -12.019 5.488
98 HH11 ARG 11 HH21 ARG 11 -6.490 -15.445 5.522
99 HH12 ARG 11 HH22 ARG 11 -8.055 -15.349 6.260
100 HH21 ARG 11 HH11 ARG 11 -8.043 -11.887 6.459
101 HH22 ARG 11 HH12 ARG 11 -8.933 -13.334 6.790
102 H PHE 12 HN PHE 12 0.149 -11.019 2.502
103 HA PHE 12 HA PHE 12 2.214 -13.046 3.051
104 HB2 PHE 12 HB2 PHE 12 0.779 -13.165 0.723
105 HB3 PHE 12 HB1 PHE 12 2.126 -12.135 0.240
106 HD1 PHE 12 HD2 PHE 12 1.396 -15.326 2.067
107 HD2 PHE 12 HD1 PHE 12 4.178 -13.114 -0.347
108 HE1 PHE 12 HE2 PHE 12 2.865 -17.320 1.930
109 HE2 PHE 12 HE1 PHE 12 5.648 -15.107 -0.479
110 HZ PHE 12 HZ PHE 12 4.990 -17.210 0.658
111 H CYS 13 HN CYS 13 4.301 -12.253 3.051
112 HA CYS 13 HA CYS 13 4.776 -9.505 2.169
113 HB2 CYS 13 HB2 CYS 13 5.183 -10.437 5.017
114 HB3 CYS 13 HB1 CYS 13 5.849 -8.943 4.360
115 H VAL 14 HN VAL 14 7.047 -8.926 2.129
116 HA VAL 14 HA VAL 14 9.119 -10.806 2.636
117 HB VAL 14 HB VAL 14 8.037 -11.950 0.699
118 HG11 VAL 14 HG11 VAL 14 7.318 -9.733 -0.352
119 HG12 VAL 14 HG12 VAL 14 7.996 -10.926 -1.462
120 HG13 VAL 14 HG13 VAL 14 8.982 -9.571 -0.915
121 HG21 VAL 14 HG21 VAL 14 10.742 -10.764 0.011
122 HG22 VAL 14 HG22 VAL 14 10.102 -12.321 -0.513
123 HG23 VAL 14 HG23 VAL 14 10.513 -12.061 1.183
124 H CYS 15 HN CYS 15 11.187 -9.984 2.130
125 HA CYS 15 HA CYS 15 11.205 -7.162 1.235
126 HB2 CYS 15 HB2 CYS 15 13.205 -8.177 3.222
127 HB3 CYS 15 HB1 CYS 15 12.616 -6.534 2.970
128 H VAL 16 HN VAL 16 13.387 -6.418 0.520
129 HA VAL 16 HA VAL 16 14.317 -7.871 -1.644
130 HB VAL 16 HB VAL 16 16.443 -6.483 -1.360
131 HG11 VAL 16 HG11 VAL 16 13.651 -5.357 -1.511
132 HG12 VAL 16 HG12 VAL 16 14.828 -5.571 -2.805
133 HG13 VAL 16 HG13 VAL 16 15.053 -4.289 -1.616
134 HG21 VAL 16 HG21 VAL 16 16.483 -4.823 0.372
135 HG22 VAL 16 HG22 VAL 16 16.126 -6.356 1.168
136 HG23 VAL 16 HG23 VAL 16 14.831 -5.200 0.859
Start of MODEL 20
1 H1 ARG 1 HT1 ARG 1 24.509 3.367 -1.177
2 H2 ARG 1 HT2 ARG 1 24.818 2.038 -0.168
3 H3 ARG 1 HT3 ARG 1 25.701 3.478 0.024
4 HA ARG 1 HA ARG 1 24.251 3.943 1.637
5 HB2 ARG 1 HB2 ARG 1 23.603 5.297 -0.522
6 HB3 ARG 1 HB1 ARG 1 22.154 4.292 -0.495
7 HG2 ARG 1 HG2 ARG 1 21.694 5.007 1.822
8 HG3 ARG 1 HG1 ARG 1 23.143 6.014 1.799
9 HD2 ARG 1 HD2 ARG 1 21.552 7.592 1.211
10 HD3 ARG 1 HD1 ARG 1 22.006 7.010 -0.387
11 HE ARG 1 HE ARG 1 19.925 5.944 -0.553
12 HH11 ARG 1 HH21 ARG 1 20.502 7.216 2.614
13 HH12 ARG 1 HH22 ARG 1 18.865 7.008 3.145
14 HH21 ARG 1 HH11 ARG 1 17.779 5.667 0.138
15 HH22 ARG 1 HH12 ARG 1 17.326 6.132 1.744
16 H GLY 2 HN GLY 2 23.474 2.491 3.031
17 HA2 GLY 2 HA2 GLY 2 22.110 0.109 2.231
18 HA3 GLY 2 HA1 GLY 2 22.343 0.666 3.884
19 H GLY 3 HN GLY 3 19.950 -0.495 2.674
20 HA2 GLY 3 HA2 GLY 3 17.925 0.877 3.883
21 HA3 GLY 3 HA1 GLY 3 18.030 1.622 2.291
22 H ARG 4 HN ARG 4 16.481 -0.717 4.008
23 HA ARG 4 HA ARG 4 15.837 -2.253 1.560
24 HB2 ARG 4 HB2 ARG 4 15.610 -3.587 4.223
25 HB3 ARG 4 HB1 ARG 4 16.005 -4.274 2.647
26 HG2 ARG 4 HG2 ARG 4 18.069 -4.357 3.749
27 HG3 ARG 4 HG1 ARG 4 18.191 -2.848 2.848
28 HD2 ARG 4 HD2 ARG 4 18.713 -1.912 4.852
29 HD3 ARG 4 HD1 ARG 4 16.989 -2.019 5.192
30 HE ARG 4 HE ARG 4 17.413 -3.846 6.603
31 HH11 ARG 4 HH21 ARG 4 20.219 -2.873 4.825
32 HH12 ARG 4 HH22 ARG 4 21.318 -3.816 5.773
33 HH21 ARG 4 HH11 ARG 4 18.850 -5.084 7.853
34 HH22 ARG 4 HH12 ARG 4 20.543 -5.067 7.489
35 H LEU 5 HN LEU 5 13.714 -3.583 2.050
36 HA LEU 5 HA LEU 5 11.814 -2.275 3.782
37 HB2 LEU 5 HB2 LEU 5 10.432 -1.242 2.194
38 HB3 LEU 5 HB1 LEU 5 12.052 -0.812 1.656
39 HG LEU 5 HG LEU 5 11.888 -2.999 0.222
40 HD11 LEU 5 HD11 LEU 5 9.926 -4.103 0.264
41 HD12 LEU 5 HD12 LEU 5 9.092 -2.657 -0.302
42 HD13 LEU 5 HD13 LEU 5 9.279 -2.946 1.425
43 HD21 LEU 5 HD21 LEU 5 10.798 -1.682 -1.604
44 HD22 LEU 5 HD22 LEU 5 12.029 -0.761 -0.741
45 HD23 LEU 5 HD23 LEU 5 10.320 -0.478 -0.408
46 H CYS 6 HN CYS 6 9.849 -3.423 3.955
47 HA CYS 6 HA CYS 6 9.924 -6.115 2.736
48 HB2 CYS 6 HB2 CYS 6 8.533 -5.315 5.292
49 HB3 CYS 6 HB1 CYS 6 8.778 -6.948 4.673
50 H TYR 7 HN TYR 7 8.649 -6.055 1.000
51 HA TYR 7 HA TYR 7 6.314 -4.440 0.762
52 HB2 TYR 7 HB2 TYR 7 7.466 -6.730 -0.820
53 HB3 TYR 7 HB1 TYR 7 5.885 -6.059 -1.217
54 HD1 TYR 7 HD1 TYR 7 5.797 -3.412 -1.316
55 HD2 TYR 7 HD2 TYR 7 9.351 -5.767 -1.806
56 HE1 TYR 7 HE1 TYR 7 6.876 -1.530 -2.508
57 HE2 TYR 7 HE2 TYR 7 10.433 -3.890 -2.999
58 HH TYR 7 HH TYR 7 9.227 -1.688 -4.445
59 H CYS 8 HN CYS 8 4.456 -4.769 1.815
60 HA CYS 8 HA CYS 8 3.674 -7.551 2.472
61 HB2 CYS 8 HB2 CYS 8 3.411 -4.977 3.972
62 HB3 CYS 8 HB1 CYS 8 2.174 -6.216 4.192
63 H ARG 9 HN ARG 9 2.108 -8.287 1.228
64 HA ARG 9 HA ARG 9 -0.139 -6.510 0.532
65 HB2 ARG 9 HB2 ARG 9 1.320 -8.332 -1.397
66 HB3 ARG 9 HB1 ARG 9 -0.172 -7.460 -1.751
67 HG2 ARG 9 HG2 ARG 9 1.186 -5.349 -1.000
68 HG3 ARG 9 HG1 ARG 9 2.596 -6.363 -1.308
69 HD2 ARG 9 HD2 ARG 9 2.055 -5.104 -3.325
70 HD3 ARG 9 HD1 ARG 9 1.729 -6.813 -3.599
71 HE ARG 9 HE ARG 9 -0.614 -5.505 -2.660
72 HH11 ARG 9 HH21 ARG 9 1.462 -5.833 -5.410
73 HH12 ARG 9 HH22 ARG 9 0.215 -5.494 -6.564
74 HH21 ARG 9 HH11 ARG 9 -2.253 -5.061 -4.168
75 HH22 ARG 9 HH12 ARG 9 -1.888 -5.059 -5.863
76 H ARG 10 HN ARG 10 -2.128 -7.537 0.369
77 HA ARG 10 HA ARG 10 -3.693 -9.072 1.096
78 HB2 ARG 10 HB2 ARG 10 -1.804 -10.815 -0.500
79 HB3 ARG 10 HB1 ARG 10 -3.418 -11.308 0.013
80 HG2 ARG 10 HG2 ARG 10 -4.420 -10.102 -1.629
81 HG3 ARG 10 HG1 ARG 10 -3.428 -8.683 -1.298
82 HD2 ARG 10 HD2 ARG 10 -1.549 -9.752 -2.543
83 HD3 ARG 10 HD1 ARG 10 -2.617 -11.095 -2.947
84 HE ARG 10 HE ARG 10 -2.656 -8.437 -4.111
85 HH11 ARG 10 HH21 ARG 10 -4.385 -11.362 -3.456
86 HH12 ARG 10 HH22 ARG 10 -5.506 -11.152 -4.759
87 HH21 ARG 10 HH11 ARG 10 -4.122 -8.154 -5.820
88 HH22 ARG 10 HH12 ARG 10 -5.357 -9.336 -6.099
89 H ARG 11 HN ARG 11 -2.098 -11.954 1.146
90 HA ARG 11 HA ARG 11 -1.578 -11.765 4.059
91 HB2 ARG 11 HB2 ARG 11 -2.631 -14.081 2.419
92 HB3 ARG 11 HB1 ARG 11 -2.181 -14.185 4.121
93 HG2 ARG 11 HG2 ARG 11 -3.949 -12.820 4.813
94 HG3 ARG 11 HG1 ARG 11 -4.116 -12.062 3.227
95 HD2 ARG 11 HD2 ARG 11 -5.826 -13.941 4.067
96 HD3 ARG 11 HD1 ARG 11 -5.370 -13.795 2.372
97 HE ARG 11 HE ARG 11 -3.509 -15.493 3.593
98 HH11 ARG 11 HH21 ARG 11 -6.893 -15.337 2.891
99 HH12 ARG 11 HH22 ARG 11 -7.084 -17.052 2.750
100 HH21 ARG 11 HH11 ARG 11 -3.752 -17.747 3.411
101 HH22 ARG 11 HH12 ARG 11 -5.308 -18.416 3.045
102 H PHE 12 HN PHE 12 0.484 -11.088 2.413
103 HA PHE 12 HA PHE 12 2.426 -13.124 3.055
104 HB2 PHE 12 HB2 PHE 12 1.234 -13.346 0.559
105 HB3 PHE 12 HB1 PHE 12 2.715 -12.456 0.216
106 HD1 PHE 12 HD1 PHE 12 4.814 -13.401 1.714
107 HD2 PHE 12 HD2 PHE 12 1.407 -15.662 0.395
108 HE1 PHE 12 HE1 PHE 12 6.126 -15.496 1.915
109 HE2 PHE 12 HE2 PHE 12 2.720 -17.756 0.597
110 HZ PHE 12 HZ PHE 12 5.079 -17.673 1.357
111 H CYS 13 HN CYS 13 4.467 -12.273 3.260
112 HA CYS 13 HA CYS 13 4.878 -9.491 2.356
113 HB2 CYS 13 HB2 CYS 13 5.340 -10.607 5.123
114 HB3 CYS 13 HB1 CYS 13 6.088 -9.112 4.557
115 H VAL 14 HN VAL 14 6.866 -9.029 1.586
116 HA VAL 14 HA VAL 14 9.012 -11.032 1.920
117 HB VAL 14 HB VAL 14 8.277 -9.722 -0.711
118 HG11 VAL 14 HG11 VAL 14 10.370 -11.747 0.125
119 HG12 VAL 14 HG12 VAL 14 10.639 -10.162 -0.600
120 HG13 VAL 14 HG13 VAL 14 9.923 -11.459 -1.557
121 HG21 VAL 14 HG21 VAL 14 7.890 -12.568 0.274
122 HG22 VAL 14 HG22 VAL 14 7.603 -12.020 -1.376
123 HG23 VAL 14 HG23 VAL 14 6.608 -11.405 -0.058
124 H CYS 15 HN CYS 15 11.071 -10.179 2.040
125 HA CYS 15 HA CYS 15 11.322 -7.244 1.794
126 HB2 CYS 15 HB2 CYS 15 11.208 -8.490 4.208
127 HB3 CYS 15 HB1 CYS 15 12.941 -8.553 3.899
128 H VAL 16 HN VAL 16 13.306 -6.447 1.146
129 HA VAL 16 HA VAL 16 15.012 -8.424 -0.214
130 HB VAL 16 HB VAL 16 16.001 -6.284 -1.236
131 HG11 VAL 16 HG11 VAL 16 13.924 -5.998 -2.707
132 HG12 VAL 16 HG12 VAL 16 13.141 -7.174 -1.652
133 HG13 VAL 16 HG13 VAL 16 14.567 -7.635 -2.582
134 HG21 VAL 16 HG21 VAL 16 14.715 -4.267 -1.048
135 HG22 VAL 16 HG22 VAL 16 14.981 -4.838 0.601
136 HG23 VAL 16 HG23 VAL 16 13.421 -5.097 -0.183