Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645558 | 6r28 RC | 34380 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 HT1 PRO 1 -2.463 -1.831 -8.044
2 H3 PRO 1 HT2 PRO 1 -1.514 -0.935 -9.031
3 HA PRO 1 HA PRO 1 0.135 -2.039 -8.339
4 HB2 PRO 1 HB2 PRO 1 0.142 -1.331 -5.528
5 HB3 PRO 1 HB3 PRO 1 1.238 -0.803 -6.812
6 HG2 PRO 1 HG2 PRO 1 -0.581 0.845 -5.654
7 HG3 PRO 1 HG3 PRO 1 -0.032 1.021 -7.328
8 HD2 PRO 1 HD2 PRO 1 -2.549 -0.246 -6.283
9 HD3 PRO 1 HD3 PRO 1 -2.344 0.867 -7.648
10 H SER 2 H SER 2 0.988 -3.532 -6.389
11 HA SER 2 HA SER 2 -0.997 -5.595 -6.120
12 HB2 SER 2 HB2 SER 2 1.813 -5.470 -4.995
13 HB3 SER 2 HB3 SER 2 0.804 -6.911 -5.127
14 HG SER 2 HG SER 2 2.234 -6.823 -6.864
15 H ILE 3 H ILE 3 -2.590 -5.027 -4.703
16 HA ILE 3 HA ILE 3 -2.002 -3.792 -2.176
17 HB ILE 3 HB ILE 3 -4.576 -5.142 -2.980
18 HG12 ILE 3 HG12 ILE 3 -3.788 -2.240 -3.314
19 HG13 ILE 3 HG13 ILE 3 -3.889 -3.408 -4.628
20 HG21 ILE 3 HG21 ILE 3 -4.344 -4.679 -0.596
21 HG22 ILE 3 HG22 ILE 3 -5.585 -3.664 -1.327
22 HG23 ILE 3 HG23 ILE 3 -4.000 -2.989 -0.954
23 HD11 ILE 3 HD11 ILE 3 -6.168 -2.475 -2.901
24 HD12 ILE 3 HD12 ILE 3 -6.281 -3.676 -4.188
25 HD13 ILE 3 HD13 ILE 3 -5.853 -2.010 -4.573
26 H HCS 4 H HCS 4 -0.645 -5.109 -1.076
27 HCA HCS 4 HA HCS 4 -1.097 -7.891 -0.686
28 HB2 HCS 4 HB1 HCS 4 0.600 -6.051 1.006
29 HB3 HCS 4 HB2 HCS 4 0.741 -7.797 0.873
30 HG2 HCS 4 HG1 HCS 4 1.364 -7.537 -1.495
31 HG3 HCS 4 HG2 HCS 4 1.297 -5.793 -1.299
32 H HIS 5 H HIS 5 -1.361 -5.085 1.411
33 HA HIS 5 HA HIS 5 -3.793 -5.569 2.556
34 HB2 HIS 5 HB2 HIS 5 -3.226 -6.425 4.823
35 HB3 HIS 5 HB3 HIS 5 -2.962 -7.611 3.553
36 HD1 HIS 5 HD1 HIS 5 -1.312 -6.038 6.388
37 HD2 HIS 5 HD2 HIS 5 -0.160 -7.945 2.893
38 HE1 HIS 5 HE1 HIS 5 1.080 -6.714 6.748
39 HE2 HIS 5 HE2 HIS 5 1.666 -8.087 4.720
40 H VAL 6 H VAL 6 -3.407 -3.350 1.937
41 HA VAL 6 HA VAL 6 -1.718 -1.863 3.834
42 HB VAL 6 HB VAL 6 -2.181 -0.482 1.314
43 HG11 VAL 6 HG11 VAL 6 0.277 -0.193 1.443
44 HG12 VAL 6 HG12 VAL 6 0.288 -1.223 2.877
45 HG13 VAL 6 HG13 VAL 6 -0.570 0.321 2.902
46 HG21 VAL 6 HG21 VAL 6 -2.110 -2.701 0.352
47 HG22 VAL 6 HG22 VAL 6 -0.625 -3.060 1.232
48 HG23 VAL 6 HG23 VAL 6 -0.627 -1.826 -0.029
49 H HIS 7 H HIS 7 -2.314 0.568 3.729
50 HA HIS 7 HA HIS 7 -4.999 0.859 4.582
51 HB2 HIS 7 HB2 HIS 7 -3.211 2.177 5.549
52 HB3 HIS 7 HB3 HIS 7 -2.846 2.890 3.990
53 HD1 HIS 7 HD1 HIS 7 -5.404 3.015 6.743
54 HD2 HIS 7 HD2 HIS 7 -4.303 5.096 3.323
55 HE1 HIS 7 HE1 HIS 7 -6.698 5.165 6.823
56 HE2 HIS 7 HE2 HIS 7 -5.872 6.485 4.848
57 H ARG 8 H ARG 8 -3.368 2.595 1.875
58 HA ARG 8 HA ARG 8 -5.914 3.179 0.679
59 HB2 ARG 8 HB2 ARG 8 -3.224 3.521 -0.632
60 HB3 ARG 8 HB3 ARG 8 -4.703 4.383 -0.986
61 HG2 ARG 8 HG2 ARG 8 -4.519 5.216 1.438
62 HG3 ARG 8 HG3 ARG 8 -2.833 4.718 1.293
63 HD2 ARG 8 HD2 ARG 8 -4.300 6.709 -0.413
64 HD3 ARG 8 HD3 ARG 8 -3.026 7.051 0.748
65 HE ARG 8 HE ARG 8 -1.836 5.363 -1.009
66 HH11 ARG 8 HH11 ARG 8 -3.579 8.378 -1.339
67 HH12 ARG 8 HH12 ARG 8 -2.717 8.872 -2.762
68 HH21 ARG 8 HH21 ARG 8 -0.657 6.039 -2.893
69 HH22 ARG 8 HH22 ARG 8 -1.063 7.554 -3.634
70 HA PRO 9 HA PRO 9 -5.796 -0.254 -2.151
71 HB2 PRO 9 HB2 PRO 9 -7.758 0.627 -3.854
72 HB3 PRO 9 HB3 PRO 9 -8.068 -0.112 -2.286
73 HG2 PRO 9 HG2 PRO 9 -8.465 2.636 -3.106
74 HG3 PRO 9 HG3 PRO 9 -8.970 1.842 -1.610
75 HD2 PRO 9 HD2 PRO 9 -6.679 3.576 -2.098
76 HD3 PRO 9 HD3 PRO 9 -7.356 3.030 -0.556
77 H ASP 10 H ASP 10 -5.016 2.950 -3.015
78 HA ASP 10 HA ASP 10 -4.397 2.284 -5.785
79 HB2 ASP 10 HB2 ASP 10 -4.437 4.913 -4.305
80 HB3 ASP 10 HB3 ASP 10 -3.910 4.742 -5.975
81 H TRP 11 H TRP 11 -2.823 2.290 -2.818
82 HA TRP 11 HA TRP 11 -0.259 2.744 -4.180
83 HB2 TRP 11 HB2 TRP 11 0.666 3.626 -2.193
84 HB3 TRP 11 HB3 TRP 11 -0.918 4.352 -2.347
85 HD1 TRP 11 HD1 TRP 11 -1.711 1.120 -0.939
86 HE1 TRP 11 HE1 TRP 11 -1.852 1.238 1.606
87 HE3 TRP 11 HE3 TRP 11 0.584 5.613 -0.200
88 HZ2 TRP 11 HZ2 TRP 11 -1.077 2.988 3.682
89 HZ3 TRP 11 HZ3 TRP 11 0.848 6.435 2.100
90 HH2 TRP 11 HH2 TRP 11 0.041 5.138 3.998
91 HA PRO 12 HA PRO 12 0.936 -1.402 -3.284
92 HB2 PRO 12 HB2 PRO 12 3.577 -1.223 -2.887
93 HB3 PRO 12 HB3 PRO 12 2.860 -0.862 -4.461
94 HG2 PRO 12 HG2 PRO 12 3.717 1.026 -2.300
95 HG3 PRO 12 HG3 PRO 12 4.017 1.127 -4.032
96 HD2 PRO 12 HD2 PRO 12 2.041 2.513 -2.802
97 HD3 PRO 12 HD3 PRO 12 1.922 1.961 -4.482
98 H CYS 13 H CYS 13 2.760 -2.551 -1.688
99 HA CYS 13 HA CYS 13 1.764 -1.956 0.982
100 HB2 CYS 13 HB2 CYS 13 2.673 -4.167 1.591
101 HB3 CYS 13 HB3 CYS 13 1.541 -4.258 0.244
102 H TRP 14 H TRP 14 4.093 -0.663 -0.662
103 HA TRP 14 HA TRP 14 6.030 -0.662 1.540
104 HB2 TRP 14 HB2 TRP 14 7.849 -0.603 -0.278
105 HB3 TRP 14 HB3 TRP 14 7.077 -2.146 0.064
106 HD1 TRP 14 HD1 TRP 14 5.442 -3.130 -1.795
107 HE1 TRP 14 HE1 TRP 14 5.251 -2.708 -4.326
108 HE3 TRP 14 HE3 TRP 14 8.067 1.226 -2.057
109 HZ2 TRP 14 HZ2 TRP 14 6.083 -0.747 -6.182
110 HZ3 TRP 14 HZ3 TRP 14 8.302 2.334 -4.231
111 HH2 TRP 14 HH2 TRP 14 7.336 1.366 -6.253
112 H TYR 15 H TYR 15 5.233 0.865 -1.558
113 HA TYR 15 HA TYR 15 5.575 2.948 -2.371
114 HB2 TYR 15 HB2 TYR 15 4.322 4.702 -0.939
115 HB3 TYR 15 HB3 TYR 15 3.422 3.362 -1.634
116 HD1 TYR 15 HD1 TYR 15 2.696 1.505 -0.228
117 HD2 TYR 15 HD2 TYR 15 4.514 4.955 1.455
118 HE1 TYR 15 HE1 TYR 15 1.880 0.845 1.975
119 HE2 TYR 15 HE2 TYR 15 3.704 4.308 3.676
120 HH TYR 15 HH TYR 15 2.428 1.229 4.339
121 H ARG 16 H ARG 16 7.694 3.373 -2.451
122 HA ARG 16 HA ARG 16 8.855 4.860 -0.194
123 HB2 ARG 16 HB2 ARG 16 10.155 2.726 -1.895
124 HB3 ARG 16 HB3 ARG 16 11.034 3.769 -0.787
125 HG2 ARG 16 HG2 ARG 16 10.065 2.775 1.095
126 HG3 ARG 16 HG3 ARG 16 8.771 2.032 0.150
127 HD2 ARG 16 HD2 ARG 16 10.584 0.464 0.907
128 HD3 ARG 16 HD3 ARG 16 10.274 0.469 -0.830
129 HE ARG 16 HE ARG 16 12.352 2.297 -0.186
130 HH11 ARG 16 HH11 ARG 16 11.732 -1.142 -0.411
131 HH12 ARG 16 HH12 ARG 16 13.362 -1.529 -0.867
132 HH21 ARG 16 HH21 ARG 16 14.502 1.784 -0.780
133 HH22 ARG 16 HH22 ARG 16 14.941 0.125 -1.057
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 -1.772 -1.323 -8.071
2 H3 PRO 1 HT2 PRO 1 -0.767 -1.185 -9.352
3 HA PRO 1 HA PRO 1 0.883 -2.084 -8.377
4 HB2 PRO 1 HB2 PRO 1 0.781 -1.443 -5.630
5 HB3 PRO 1 HB3 PRO 1 1.873 -0.764 -6.848
6 HG2 PRO 1 HG2 PRO 1 -0.691 0.294 -5.798
7 HG3 PRO 1 HG3 PRO 1 0.729 1.171 -6.392
8 HD2 PRO 1 HD2 PRO 1 -1.496 1.028 -7.856
9 HD3 PRO 1 HD3 PRO 1 0.100 0.936 -8.624
10 H SER 2 H SER 2 1.252 -3.586 -6.279
11 HA SER 2 HA SER 2 -1.037 -5.356 -6.265
12 HB2 SER 2 HB2 SER 2 1.684 -5.706 -4.988
13 HB3 SER 2 HB3 SER 2 0.464 -6.960 -5.203
14 HG SER 2 HG SER 2 1.997 -7.087 -6.857
15 H ILE 3 H ILE 3 -2.578 -5.071 -4.803
16 HA ILE 3 HA ILE 3 -2.095 -3.727 -2.304
17 HB ILE 3 HB ILE 3 -4.580 -5.234 -3.129
18 HG12 ILE 3 HG12 ILE 3 -4.021 -2.283 -3.454
19 HG13 ILE 3 HG13 ILE 3 -3.930 -3.451 -4.768
20 HG21 ILE 3 HG21 ILE 3 -4.131 -3.049 -1.103
21 HG22 ILE 3 HG22 ILE 3 -4.434 -4.748 -0.748
22 HG23 ILE 3 HG23 ILE 3 -5.690 -3.769 -1.506
23 HD11 ILE 3 HD11 ILE 3 -6.390 -2.757 -3.173
24 HD12 ILE 3 HD12 ILE 3 -6.313 -3.945 -4.475
25 HD13 ILE 3 HD13 ILE 3 -6.027 -2.239 -4.818
26 H HCS 4 H HCS 4 -0.924 -4.844 -0.850
27 HCA HCS 4 HA HCS 4 -1.208 -7.706 -0.597
28 HB2 HCS 4 HB1 HCS 4 0.438 -5.799 1.060
29 HB3 HCS 4 HB2 HCS 4 0.579 -7.550 1.045
30 HG2 HCS 4 HG1 HCS 4 1.178 -7.408 -1.366
31 HG3 HCS 4 HG2 HCS 4 1.198 -5.661 -1.207
32 H HIS 5 H HIS 5 -1.687 -4.890 1.460
33 HA HIS 5 HA HIS 5 -4.137 -5.488 2.506
34 HB2 HIS 5 HB2 HIS 5 -3.724 -6.397 4.735
35 HB3 HIS 5 HB3 HIS 5 -3.128 -7.505 3.510
36 HD1 HIS 5 HD1 HIS 5 -2.109 -5.713 6.523
37 HD2 HIS 5 HD2 HIS 5 -0.249 -7.525 3.285
38 HE1 HIS 5 HE1 HIS 5 0.282 -6.034 7.217
39 HE2 HIS 5 HE2 HIS 5 1.352 -7.278 5.304
40 H VAL 6 H VAL 6 -3.052 -3.297 1.670
41 HA VAL 6 HA VAL 6 -1.718 -1.857 3.826
42 HB VAL 6 HB VAL 6 -2.112 -0.433 1.298
43 HG11 VAL 6 HG11 VAL 6 -0.610 0.373 3.016
44 HG12 VAL 6 HG12 VAL 6 0.287 -0.027 1.552
45 HG13 VAL 6 HG13 VAL 6 0.325 -1.124 2.932
46 HG21 VAL 6 HG21 VAL 6 -0.509 -2.987 1.305
47 HG22 VAL 6 HG22 VAL 6 -0.442 -1.752 0.047
48 HG23 VAL 6 HG23 VAL 6 -1.939 -2.641 0.332
49 H HIS 7 H HIS 7 -2.268 0.518 3.956
50 HA HIS 7 HA HIS 7 -4.899 0.915 4.768
51 HB2 HIS 7 HB2 HIS 7 -3.077 2.276 5.600
52 HB3 HIS 7 HB3 HIS 7 -2.775 2.911 3.993
53 HD1 HIS 7 HD1 HIS 7 -5.167 3.213 6.867
54 HD2 HIS 7 HD2 HIS 7 -4.335 5.013 3.212
55 HE1 HIS 7 HE1 HIS 7 -6.518 5.331 6.843
56 HE2 HIS 7 HE2 HIS 7 -6.172 6.283 4.534
57 H ARG 8 H ARG 8 -3.364 2.453 1.903
58 HA ARG 8 HA ARG 8 -5.961 3.058 0.810
59 HB2 ARG 8 HB2 ARG 8 -3.267 3.345 -0.519
60 HB3 ARG 8 HB3 ARG 8 -4.766 4.095 -1.015
61 HG2 ARG 8 HG2 ARG 8 -4.747 5.349 1.155
62 HG3 ARG 8 HG3 ARG 8 -3.109 4.720 1.397
63 HD2 ARG 8 HD2 ARG 8 -2.298 5.807 -0.521
64 HD3 ARG 8 HD3 ARG 8 -3.922 6.164 -1.089
65 HE ARG 8 HE ARG 8 -3.790 7.476 1.271
66 HH11 ARG 8 HH11 ARG 8 -1.696 7.445 -1.542
67 HH12 ARG 8 HH12 ARG 8 -1.254 9.111 -1.384
68 HH21 ARG 8 HH21 ARG 8 -3.206 9.655 1.487
69 HH22 ARG 8 HH22 ARG 8 -2.111 10.377 0.352
70 HA PRO 9 HA PRO 9 -5.880 -0.464 -1.954
71 HB2 PRO 9 HB2 PRO 9 -7.936 0.185 -3.542
72 HB3 PRO 9 HB3 PRO 9 -8.180 -0.243 -1.847
73 HG2 PRO 9 HG2 PRO 9 -8.316 2.405 -3.158
74 HG3 PRO 9 HG3 PRO 9 -9.142 1.825 -1.704
75 HD2 PRO 9 HD2 PRO 9 -6.771 3.414 -1.853
76 HD3 PRO 9 HD3 PRO 9 -7.543 2.763 -0.400
77 H ASP 10 H ASP 10 -5.030 2.665 -2.797
78 HA ASP 10 HA ASP 10 -4.616 2.052 -5.624
79 HB2 ASP 10 HB2 ASP 10 -4.514 4.660 -4.105
80 HB3 ASP 10 HB3 ASP 10 -4.137 4.507 -5.815
81 H TRP 11 H TRP 11 -2.904 2.315 -2.679
82 HA TRP 11 HA TRP 11 -0.398 2.732 -4.140
83 HB2 TRP 11 HB2 TRP 11 0.552 3.692 -2.184
84 HB3 TRP 11 HB3 TRP 11 -1.054 4.368 -2.326
85 HD1 TRP 11 HD1 TRP 11 -1.842 1.211 -0.847
86 HE1 TRP 11 HE1 TRP 11 -1.882 1.340 1.704
87 HE3 TRP 11 HE3 TRP 11 0.616 5.633 -0.228
88 HZ2 TRP 11 HZ2 TRP 11 -0.980 3.094 3.740
89 HZ3 TRP 11 HZ3 TRP 11 0.995 6.467 2.052
90 HH2 TRP 11 HH2 TRP 11 0.213 5.213 3.996
91 HA PRO 12 HA PRO 12 0.920 -1.363 -3.237
92 HB2 PRO 12 HB2 PRO 12 3.578 -1.127 -2.940
93 HB3 PRO 12 HB3 PRO 12 2.793 -0.790 -4.489
94 HG2 PRO 12 HG2 PRO 12 3.699 1.127 -2.371
95 HG3 PRO 12 HG3 PRO 12 3.922 1.222 -4.114
96 HD2 PRO 12 HD2 PRO 12 1.967 2.571 -2.800
97 HD3 PRO 12 HD3 PRO 12 1.798 2.025 -4.477
98 H CYS 13 H CYS 13 2.751 -2.498 -1.680
99 HA CYS 13 HA CYS 13 1.845 -1.833 1.013
100 HB2 CYS 13 HB2 CYS 13 2.660 -4.059 1.633
101 HB3 CYS 13 HB3 CYS 13 1.515 -4.136 0.296
102 H TRP 14 H TRP 14 4.095 -0.577 -0.670
103 HA TRP 14 HA TRP 14 6.097 -0.602 1.461
104 HB2 TRP 14 HB2 TRP 14 7.883 -0.603 -0.373
105 HB3 TRP 14 HB3 TRP 14 7.078 -2.130 -0.029
106 HD1 TRP 14 HD1 TRP 14 5.417 -3.077 -1.886
107 HE1 TRP 14 HE1 TRP 14 5.210 -2.616 -4.405
108 HE3 TRP 14 HE3 TRP 14 8.117 1.240 -2.124
109 HZ2 TRP 14 HZ2 TRP 14 6.072 -0.660 -6.246
110 HZ3 TRP 14 HZ3 TRP 14 8.363 2.361 -4.282
111 HH2 TRP 14 HH2 TRP 14 7.364 1.427 -6.310
112 H TYR 15 H TYR 15 5.186 0.886 -1.616
113 HA TYR 15 HA TYR 15 5.529 2.961 -2.469
114 HB2 TYR 15 HB2 TYR 15 4.327 4.715 -0.995
115 HB3 TYR 15 HB3 TYR 15 3.412 3.375 -1.658
116 HD1 TYR 15 HD1 TYR 15 2.682 1.544 -0.251
117 HD2 TYR 15 HD2 TYR 15 4.662 4.917 1.412
118 HE1 TYR 15 HE1 TYR 15 1.941 0.873 1.968
119 HE2 TYR 15 HE2 TYR 15 3.925 4.246 3.654
120 HH TYR 15 HH TYR 15 2.727 1.213 4.367
121 H ARG 16 H ARG 16 7.715 3.224 -2.550
122 HA ARG 16 HA ARG 16 8.906 4.818 -0.382
123 HB2 ARG 16 HB2 ARG 16 10.236 2.511 -1.821
124 HB3 ARG 16 HB3 ARG 16 10.949 3.490 -0.549
125 HG2 ARG 16 HG2 ARG 16 9.450 2.613 1.082
126 HG3 ARG 16 HG3 ARG 16 8.477 1.828 -0.158
127 HD2 ARG 16 HD2 ARG 16 9.940 0.239 1.020
128 HD3 ARG 16 HD3 ARG 16 10.285 0.334 -0.708
129 HE ARG 16 HE ARG 16 11.944 2.121 0.733
130 HH11 ARG 16 HH11 ARG 16 11.529 -1.279 0.025
131 HH12 ARG 16 HH12 ARG 16 13.193 -1.675 0.317
132 HH21 ARG 16 HH21 ARG 16 14.145 1.628 1.052
133 HH22 ARG 16 HH22 ARG 16 14.690 -0.010 0.875
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 -1.489 -1.587 -8.486
2 H3 PRO 1 HT2 PRO 1 -0.312 -1.461 -9.609
3 HA PRO 1 HA PRO 1 1.303 -1.761 -8.244
4 HB2 PRO 1 HB2 PRO 1 0.373 -0.906 -5.684
5 HB3 PRO 1 HB3 PRO 1 1.640 -0.181 -6.683
6 HG2 PRO 1 HG2 PRO 1 -1.216 0.542 -6.448
7 HG3 PRO 1 HG3 PRO 1 0.167 1.551 -6.902
8 HD2 PRO 1 HD2 PRO 1 -1.627 0.790 -8.730
9 HD3 PRO 1 HD3 PRO 1 0.100 0.871 -9.127
10 H SER 2 H SER 2 1.718 -3.171 -6.282
11 HA SER 2 HA SER 2 -0.244 -5.296 -6.273
12 HB2 SER 2 HB2 SER 2 2.436 -5.158 -4.868
13 HB3 SER 2 HB3 SER 2 1.465 -6.604 -5.148
14 HG SER 2 HG SER 2 2.417 -6.757 -7.006
15 H ILE 3 H ILE 3 -1.921 -5.022 -4.963
16 HA ILE 3 HA ILE 3 -1.640 -3.597 -2.447
17 HB ILE 3 HB ILE 3 -4.134 -4.855 -3.593
18 HG12 ILE 3 HG12 ILE 3 -3.194 -1.992 -3.861
19 HG13 ILE 3 HG13 ILE 3 -3.106 -3.193 -5.147
20 HG21 ILE 3 HG21 ILE 3 -5.278 -3.251 -2.131
21 HG22 ILE 3 HG22 ILE 3 -3.717 -2.693 -1.530
22 HG23 ILE 3 HG23 ILE 3 -4.242 -4.348 -1.214
23 HD11 ILE 3 HD11 ILE 3 -5.023 -1.728 -5.414
24 HD12 ILE 3 HD12 ILE 3 -5.623 -2.213 -3.831
25 HD13 ILE 3 HD13 ILE 3 -5.523 -3.394 -5.132
26 H HCS 4 H HCS 4 -0.785 -4.788 -0.876
27 HCA HCS 4 HA HCS 4 -1.358 -7.611 -0.638
28 HB2 HCS 4 HB1 HCS 4 0.293 -5.857 1.180
29 HB3 HCS 4 HB2 HCS 4 0.288 -7.614 1.135
30 HG2 HCS 4 HG1 HCS 4 1.168 -7.537 -1.156
31 HG3 HCS 4 HG2 HCS 4 1.215 -5.784 -1.064
32 H HIS 5 H HIS 5 -1.804 -4.691 1.271
33 HA HIS 5 HA HIS 5 -4.442 -5.243 1.932
34 HB2 HIS 5 HB2 HIS 5 -4.255 -5.559 4.408
35 HB3 HIS 5 HB3 HIS 5 -3.674 -6.931 3.484
36 HD1 HIS 5 HD1 HIS 5 -2.709 -4.652 6.148
37 HD2 HIS 5 HD2 HIS 5 -0.784 -7.108 3.409
38 HE1 HIS 5 HE1 HIS 5 -0.371 -4.933 7.028
39 HE2 HIS 5 HE2 HIS 5 0.736 -6.541 5.429
40 H VAL 6 H VAL 6 -1.866 -3.845 3.851
41 HA VAL 6 HA VAL 6 -1.327 -1.731 4.453
42 HB VAL 6 HB VAL 6 -2.131 -0.534 1.896
43 HG11 VAL 6 HG11 VAL 6 0.095 0.299 1.936
44 HG12 VAL 6 HG12 VAL 6 0.585 -0.880 3.156
45 HG13 VAL 6 HG13 VAL 6 -0.544 0.410 3.578
46 HG21 VAL 6 HG21 VAL 6 -1.774 -2.831 1.122
47 HG22 VAL 6 HG22 VAL 6 -0.184 -2.843 1.886
48 HG23 VAL 6 HG23 VAL 6 -0.509 -1.750 0.538
49 H HIS 7 H HIS 7 -2.317 0.742 3.428
50 HA HIS 7 HA HIS 7 -4.867 0.904 4.842
51 HB2 HIS 7 HB2 HIS 7 -3.164 2.424 5.635
52 HB3 HIS 7 HB3 HIS 7 -2.864 3.004 4.007
53 HD1 HIS 7 HD1 HIS 7 -5.660 3.040 6.582
54 HD2 HIS 7 HD2 HIS 7 -4.235 5.239 3.353
55 HE1 HIS 7 HE1 HIS 7 -7.067 5.119 6.506
56 HE2 HIS 7 HE2 HIS 7 -6.057 6.524 4.670
57 H ARG 8 H ARG 8 -3.383 2.256 1.883
58 HA ARG 8 HA ARG 8 -5.976 3.073 0.889
59 HB2 ARG 8 HB2 ARG 8 -3.410 3.132 -0.676
60 HB3 ARG 8 HB3 ARG 8 -4.810 4.159 -0.863
61 HG2 ARG 8 HG2 ARG 8 -3.648 4.429 1.753
62 HG3 ARG 8 HG3 ARG 8 -2.477 4.742 0.484
63 HD2 ARG 8 HD2 ARG 8 -5.024 6.179 1.096
64 HD3 ARG 8 HD3 ARG 8 -3.391 6.804 0.889
65 HE ARG 8 HE ARG 8 -4.890 5.728 -1.409
66 HH11 ARG 8 HH11 ARG 8 -3.137 8.315 0.177
67 HH12 ARG 8 HH12 ARG 8 -3.138 9.349 -1.214
68 HH21 ARG 8 HH21 ARG 8 -4.901 7.083 -3.236
69 HH22 ARG 8 HH22 ARG 8 -4.143 8.642 -3.162
70 HA PRO 9 HA PRO 9 -6.185 -0.394 -1.990
71 HB2 PRO 9 HB2 PRO 9 -8.340 0.392 -3.376
72 HB3 PRO 9 HB3 PRO 9 -8.471 -0.148 -1.698
73 HG2 PRO 9 HG2 PRO 9 -8.627 2.591 -2.814
74 HG3 PRO 9 HG3 PRO 9 -9.390 1.925 -1.364
75 HD2 PRO 9 HD2 PRO 9 -7.014 3.488 -1.509
76 HD3 PRO 9 HD3 PRO 9 -7.696 2.701 -0.076
77 H ASP 10 H ASP 10 -4.973 2.544 -2.516
78 HA ASP 10 HA ASP 10 -4.946 2.422 -5.447
79 HB2 ASP 10 HB2 ASP 10 -3.800 4.729 -3.937
80 HB3 ASP 10 HB3 ASP 10 -4.616 4.707 -5.488
81 H TRP 11 H TRP 11 -2.999 1.939 -2.663
82 HA TRP 11 HA TRP 11 -0.558 2.376 -4.237
83 HB2 TRP 11 HB2 TRP 11 0.504 3.382 -2.364
84 HB3 TRP 11 HB3 TRP 11 -1.104 4.082 -2.441
85 HD1 TRP 11 HD1 TRP 11 -1.668 0.889 -0.807
86 HE1 TRP 11 HE1 TRP 11 -1.716 1.186 1.723
87 HE3 TRP 11 HE3 TRP 11 0.400 5.543 -0.497
88 HZ2 TRP 11 HZ2 TRP 11 -0.991 3.142 3.637
89 HZ3 TRP 11 HZ3 TRP 11 0.674 6.563 1.720
90 HH2 TRP 11 HH2 TRP 11 0.002 5.384 3.743
91 HA PRO 12 HA PRO 12 0.812 -1.698 -3.132
92 HB2 PRO 12 HB2 PRO 12 3.469 -1.432 -2.829
93 HB3 PRO 12 HB3 PRO 12 2.686 -1.257 -4.400
94 HG2 PRO 12 HG2 PRO 12 3.628 0.867 -2.504
95 HG3 PRO 12 HG3 PRO 12 3.784 0.795 -4.259
96 HD2 PRO 12 HD2 PRO 12 1.875 2.258 -2.985
97 HD3 PRO 12 HD3 PRO 12 1.663 1.593 -4.612
98 H CYS 13 H CYS 13 2.725 -2.703 -1.497
99 HA CYS 13 HA CYS 13 1.751 -1.896 1.138
100 HB2 CYS 13 HB2 CYS 13 2.587 -4.063 1.922
101 HB3 CYS 13 HB3 CYS 13 1.463 -4.253 0.582
102 H TRP 14 H TRP 14 4.012 -0.688 -0.565
103 HA TRP 14 HA TRP 14 5.953 -0.525 1.614
104 HB2 TRP 14 HB2 TRP 14 7.820 -0.706 -0.102
105 HB3 TRP 14 HB3 TRP 14 6.971 -2.198 0.282
106 HD1 TRP 14 HD1 TRP 14 5.394 -3.229 -1.625
107 HE1 TRP 14 HE1 TRP 14 5.338 -2.885 -4.178
108 HE3 TRP 14 HE3 TRP 14 8.170 1.017 -1.886
109 HZ2 TRP 14 HZ2 TRP 14 6.345 -1.010 -6.055
110 HZ3 TRP 14 HZ3 TRP 14 8.572 2.049 -4.065
111 HH2 TRP 14 HH2 TRP 14 7.673 1.054 -6.118
112 H TYR 15 H TYR 15 5.191 0.680 -1.649
113 HA TYR 15 HA TYR 15 5.477 2.707 -2.643
114 HB2 TYR 15 HB2 TYR 15 4.233 4.551 -1.310
115 HB3 TYR 15 HB3 TYR 15 3.341 3.166 -1.920
116 HD1 TYR 15 HD1 TYR 15 2.715 1.339 -0.398
117 HD2 TYR 15 HD2 TYR 15 4.371 4.970 1.064
118 HE1 TYR 15 HE1 TYR 15 1.934 0.787 1.838
119 HE2 TYR 15 HE2 TYR 15 3.582 4.425 3.325
120 HH TYR 15 HH TYR 15 1.952 3.064 4.424
121 H ARG 16 H ARG 16 7.654 3.061 -2.721
122 HA ARG 16 HA ARG 16 8.709 5.087 -0.915
123 HB2 ARG 16 HB2 ARG 16 9.993 2.380 -1.319
124 HB3 ARG 16 HB3 ARG 16 10.773 3.738 -0.517
125 HG2 ARG 16 HG2 ARG 16 9.412 3.583 1.335
126 HG3 ARG 16 HG3 ARG 16 8.131 2.774 0.437
127 HD2 ARG 16 HD2 ARG 16 9.571 0.773 0.247
128 HD3 ARG 16 HD3 ARG 16 10.764 1.575 1.282
129 HE ARG 16 HE ARG 16 8.096 1.431 2.394
130 HH11 ARG 16 HH11 ARG 16 11.212 -0.153 2.143
131 HH12 ARG 16 HH12 ARG 16 10.989 -1.081 3.591
132 HH21 ARG 16 HH21 ARG 16 7.810 0.220 4.300
133 HH22 ARG 16 HH22 ARG 16 9.057 -0.873 4.819
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 -2.171 -3.035 -7.624
2 H3 PRO 1 HT2 PRO 1 -1.641 -2.475 -9.058
3 HA PRO 1 HA PRO 1 0.286 -2.171 -8.311
4 HB2 PRO 1 HB2 PRO 1 -0.363 -0.634 -5.886
5 HB3 PRO 1 HB3 PRO 1 0.676 -0.206 -7.255
6 HG2 PRO 1 HG2 PRO 1 -1.737 0.904 -6.956
7 HG3 PRO 1 HG3 PRO 1 -1.089 0.497 -8.558
8 HD2 PRO 1 HD2 PRO 1 -3.093 -1.000 -6.893
9 HD3 PRO 1 HD3 PRO 1 -3.120 -0.644 -8.631
10 H SER 2 H SER 2 -1.422 -4.344 -7.282
11 HA SER 2 HA SER 2 -1.292 -6.121 -5.915
12 HB2 SER 2 HB2 SER 2 1.486 -5.103 -5.305
13 HB3 SER 2 HB3 SER 2 0.888 -6.739 -5.036
14 HG SER 2 HG SER 2 2.118 -6.069 -7.102
15 H ILE 3 H ILE 3 -2.914 -5.302 -4.532
16 HA ILE 3 HA ILE 3 -2.134 -3.872 -2.154
17 HB ILE 3 HB ILE 3 -4.779 -5.189 -2.733
18 HG12 ILE 3 HG12 ILE 3 -3.932 -2.323 -3.205
19 HG13 ILE 3 HG13 ILE 3 -4.155 -3.524 -4.468
20 HG21 ILE 3 HG21 ILE 3 -4.343 -4.660 -0.371
21 HG22 ILE 3 HG22 ILE 3 -5.660 -3.693 -1.039
22 HG23 ILE 3 HG23 ILE 3 -4.067 -2.973 -0.816
23 HD11 ILE 3 HD11 ILE 3 -6.291 -2.460 -2.638
24 HD12 ILE 3 HD12 ILE 3 -6.526 -3.675 -3.892
25 HD13 ILE 3 HD13 ILE 3 -6.058 -2.032 -4.332
26 H HCS 4 H HCS 4 -0.636 -5.270 -1.307
27 HCA HCS 4 HA HCS 4 -1.049 -7.970 -0.655
28 HB2 HCS 4 HB1 HCS 4 0.728 -6.029 0.822
29 HB3 HCS 4 HB2 HCS 4 0.908 -7.772 0.733
30 HG2 HCS 4 HG1 HCS 4 1.348 -7.578 -1.671
31 HG3 HCS 4 HG2 HCS 4 1.233 -5.833 -1.540
32 H HIS 5 H HIS 5 -1.138 -5.089 1.364
33 HA HIS 5 HA HIS 5 -3.506 -5.582 2.669
34 HB2 HIS 5 HB2 HIS 5 -2.757 -6.271 4.939
35 HB3 HIS 5 HB3 HIS 5 -2.532 -7.523 3.728
36 HD1 HIS 5 HD1 HIS 5 -0.752 -5.631 6.298
37 HD2 HIS 5 HD2 HIS 5 0.232 -7.870 2.946
38 HE1 HIS 5 HE1 HIS 5 1.680 -6.199 6.563
39 HE2 HIS 5 HE2 HIS 5 2.218 -7.665 4.589
40 H VAL 6 H VAL 6 -3.126 -3.410 1.816
41 HA VAL 6 HA VAL 6 -1.517 -1.752 3.627
42 HB VAL 6 HB VAL 6 -2.127 -0.388 1.173
43 HG11 VAL 6 HG11 VAL 6 -0.401 0.297 2.705
44 HG12 VAL 6 HG12 VAL 6 0.326 -0.125 1.155
45 HG13 VAL 6 HG13 VAL 6 0.430 -1.249 2.513
46 HG21 VAL 6 HG21 VAL 6 -0.727 -1.711 -0.342
47 HG22 VAL 6 HG22 VAL 6 -2.174 -2.591 0.148
48 HG23 VAL 6 HG23 VAL 6 -0.620 -2.980 0.881
49 H HIS 7 H HIS 7 -2.268 0.594 3.636
50 HA HIS 7 HA HIS 7 -4.973 0.664 4.501
51 HB2 HIS 7 HB2 HIS 7 -3.356 2.029 5.633
52 HB3 HIS 7 HB3 HIS 7 -2.913 2.833 4.135
53 HD1 HIS 7 HD1 HIS 7 -5.759 2.662 6.627
54 HD2 HIS 7 HD2 HIS 7 -4.363 5.042 3.513
55 HE1 HIS 7 HE1 HIS 7 -7.188 4.725 6.666
56 HE2 HIS 7 HE2 HIS 7 -6.427 6.091 4.692
57 H ARG 8 H ARG 8 -3.384 2.623 1.933
58 HA ARG 8 HA ARG 8 -5.932 3.273 0.789
59 HB2 ARG 8 HB2 ARG 8 -3.225 3.661 -0.492
60 HB3 ARG 8 HB3 ARG 8 -4.708 4.519 -0.854
61 HG2 ARG 8 HG2 ARG 8 -4.525 5.187 1.679
62 HG3 ARG 8 HG3 ARG 8 -2.815 4.872 1.385
63 HD2 ARG 8 HD2 ARG 8 -4.612 6.936 0.213
64 HD3 ARG 8 HD3 ARG 8 -3.010 7.116 0.902
65 HE ARG 8 HE ARG 8 -3.496 5.866 -1.740
66 HH11 ARG 8 HH11 ARG 8 -1.683 8.010 0.368
67 HH12 ARG 8 HH12 ARG 8 -0.585 8.512 -0.872
68 HH21 ARG 8 HH21 ARG 8 -2.057 6.531 -3.381
69 HH22 ARG 8 HH22 ARG 8 -0.793 7.672 -3.007
70 HA PRO 9 HA PRO 9 -5.980 -0.134 -2.059
71 HB2 PRO 9 HB2 PRO 9 -8.028 0.610 -3.603
72 HB3 PRO 9 HB3 PRO 9 -8.261 0.245 -1.891
73 HG2 PRO 9 HG2 PRO 9 -8.212 2.873 -3.267
74 HG3 PRO 9 HG3 PRO 9 -9.097 2.379 -1.816
75 HD2 PRO 9 HD2 PRO 9 -6.638 3.805 -1.941
76 HD3 PRO 9 HD3 PRO 9 -7.441 3.184 -0.490
77 H ASP 10 H ASP 10 -4.872 2.889 -2.920
78 HA ASP 10 HA ASP 10 -4.565 2.205 -5.756
79 HB2 ASP 10 HB2 ASP 10 -4.305 4.544 -6.172
80 HB3 ASP 10 HB3 ASP 10 -5.724 4.340 -5.156
81 H TRP 11 H TRP 11 -2.840 2.656 -2.817
82 HA TRP 11 HA TRP 11 -0.326 3.063 -4.250
83 HB2 TRP 11 HB2 TRP 11 0.612 3.861 -2.206
84 HB3 TRP 11 HB3 TRP 11 -0.988 4.571 -2.340
85 HD1 TRP 11 HD1 TRP 11 -1.770 1.282 -1.110
86 HE1 TRP 11 HE1 TRP 11 -1.925 1.242 1.437
87 HE3 TRP 11 HE3 TRP 11 0.524 5.730 -0.071
88 HZ2 TRP 11 HZ2 TRP 11 -1.165 2.865 3.629
89 HZ3 TRP 11 HZ3 TRP 11 0.773 6.410 2.274
90 HH2 TRP 11 HH2 TRP 11 -0.051 4.998 4.081
91 HA PRO 12 HA PRO 12 1.022 -1.071 -3.595
92 HB2 PRO 12 HB2 PRO 12 3.661 -0.859 -3.220
93 HB3 PRO 12 HB3 PRO 12 2.915 -0.366 -4.745
94 HG2 PRO 12 HG2 PRO 12 3.752 1.330 -2.424
95 HG3 PRO 12 HG3 PRO 12 4.034 1.597 -4.137
96 HD2 PRO 12 HD2 PRO 12 2.033 2.811 -2.769
97 HD3 PRO 12 HD3 PRO 12 1.928 2.433 -4.495
98 H CYS 13 H CYS 13 2.704 -2.397 -2.078
99 HA CYS 13 HA CYS 13 1.731 -1.921 0.623
100 HB2 CYS 13 HB2 CYS 13 2.537 -4.179 1.108
101 HB3 CYS 13 HB3 CYS 13 1.471 -4.161 -0.292
102 H TRP 14 H TRP 14 4.067 -0.504 -0.833
103 HA TRP 14 HA TRP 14 5.950 -0.700 1.400
104 HB2 TRP 14 HB2 TRP 14 7.837 -0.538 -0.315
105 HB3 TRP 14 HB3 TRP 14 7.022 -2.091 -0.172
106 HD1 TRP 14 HD1 TRP 14 5.427 -2.813 -2.213
107 HE1 TRP 14 HE1 TRP 14 5.378 -2.089 -4.683
108 HE3 TRP 14 HE3 TRP 14 8.235 1.416 -1.847
109 HZ2 TRP 14 HZ2 TRP 14 6.398 0.038 -6.265
110 HZ3 TRP 14 HZ3 TRP 14 8.643 2.753 -3.859
111 HH2 TRP 14 HH2 TRP 14 7.736 2.075 -6.026
112 H TYR 15 H TYR 15 5.287 1.067 -1.619
113 HA TYR 15 HA TYR 15 5.708 3.218 -2.239
114 HB2 TYR 15 HB2 TYR 15 4.328 4.846 -0.831
115 HB3 TYR 15 HB3 TYR 15 3.492 3.500 -1.576
116 HD1 TYR 15 HD1 TYR 15 4.503 5.011 1.598
117 HD2 TYR 15 HD2 TYR 15 2.699 1.637 -0.256
118 HE1 TYR 15 HE1 TYR 15 3.606 4.302 3.767
119 HE2 TYR 15 HE2 TYR 15 1.815 0.919 1.897
120 HH TYR 15 HH TYR 15 2.316 1.222 4.298
121 H ARG 16 H ARG 16 7.903 3.436 -2.038
122 HA ARG 16 HA ARG 16 8.850 4.809 0.384
123 HB2 ARG 16 HB2 ARG 16 10.325 2.617 -1.087
124 HB3 ARG 16 HB3 ARG 16 10.881 3.457 0.355
125 HG2 ARG 16 HG2 ARG 16 9.228 2.441 1.701
126 HG3 ARG 16 HG3 ARG 16 8.335 1.871 0.292
127 HD2 ARG 16 HD2 ARG 16 9.526 0.023 1.295
128 HD3 ARG 16 HD3 ARG 16 10.197 0.384 -0.297
129 HE ARG 16 HE ARG 16 11.620 1.725 1.788
130 HH11 ARG 16 HH11 ARG 16 11.252 -1.355 0.173
131 HH12 ARG 16 HH12 ARG 16 12.835 -1.915 0.603
132 HH21 ARG 16 HH21 ARG 16 13.706 0.984 2.369
133 HH22 ARG 16 HH22 ARG 16 14.222 -0.593 1.860
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 -1.234 -0.641 -5.527
2 H3 PRO 1 HT2 PRO 1 -2.379 -0.735 -6.689
3 HA PRO 1 HA PRO 1 -1.282 -2.069 -7.943
4 HB2 PRO 1 HB2 PRO 1 1.483 -1.665 -7.359
5 HB3 PRO 1 HB3 PRO 1 0.621 -1.294 -8.860
6 HG2 PRO 1 HG2 PRO 1 1.257 0.462 -6.562
7 HG3 PRO 1 HG3 PRO 1 1.036 0.874 -8.272
8 HD2 PRO 1 HD2 PRO 1 -0.829 1.514 -6.483
9 HD3 PRO 1 HD3 PRO 1 -1.297 0.914 -8.085
10 H SER 2 H SER 2 -1.661 -3.943 -7.048
11 HA SER 2 HA SER 2 -1.433 -5.839 -5.854
12 HB2 SER 2 HB2 SER 2 1.296 -4.817 -5.054
13 HB3 SER 2 HB3 SER 2 0.745 -6.491 -5.067
14 HG SER 2 HG SER 2 0.720 -6.469 -7.273
15 H ILE 3 H ILE 3 -3.099 -5.120 -4.451
16 HA ILE 3 HA ILE 3 -2.449 -3.834 -1.966
17 HB ILE 3 HB ILE 3 -4.948 -5.389 -2.605
18 HG12 ILE 3 HG12 ILE 3 -4.450 -2.431 -2.991
19 HG13 ILE 3 HG13 ILE 3 -4.505 -3.610 -4.296
20 HG21 ILE 3 HG21 ILE 3 -4.646 -4.911 -0.244
21 HG22 ILE 3 HG22 ILE 3 -5.959 -3.930 -0.897
22 HG23 ILE 3 HG23 ILE 3 -4.375 -3.206 -0.607
23 HD11 ILE 3 HD11 ILE 3 -6.773 -2.886 -2.458
24 HD12 ILE 3 HD12 ILE 3 -6.835 -4.106 -3.730
25 HD13 ILE 3 HD13 ILE 3 -6.593 -2.409 -4.145
26 H HCS 4 H HCS 4 -0.870 -5.094 -1.042
27 HCA HCS 4 HA HCS 4 -1.171 -7.880 -0.547
28 HB2 HCS 4 HB1 HCS 4 0.616 -5.902 0.877
29 HB3 HCS 4 HB2 HCS 4 0.794 -7.651 0.881
30 HG2 HCS 4 HG1 HCS 4 1.143 -7.558 -1.574
31 HG3 HCS 4 HG2 HCS 4 1.110 -5.805 -1.474
32 H HIS 5 H HIS 5 -1.411 -5.025 1.515
33 HA HIS 5 HA HIS 5 -3.752 -5.734 2.810
34 HB2 HIS 5 HB2 HIS 5 -3.001 -6.421 5.036
35 HB3 HIS 5 HB3 HIS 5 -2.423 -7.556 3.827
36 HD1 HIS 5 HD1 HIS 5 -1.271 -5.322 6.509
37 HD2 HIS 5 HD2 HIS 5 0.386 -7.410 3.326
38 HE1 HIS 5 HE1 HIS 5 1.196 -5.428 6.985
39 HE2 HIS 5 HE2 HIS 5 2.196 -6.606 4.992
40 H VAL 6 H VAL 6 -2.736 -3.552 1.627
41 HA VAL 6 HA VAL 6 -1.493 -1.820 3.594
42 HB VAL 6 HB VAL 6 -2.130 -0.503 1.107
43 HG11 VAL 6 HG11 VAL 6 0.461 -1.204 2.469
44 HG12 VAL 6 HG12 VAL 6 -0.469 0.283 2.675
45 HG13 VAL 6 HG13 VAL 6 0.280 -0.081 1.120
46 HG21 VAL 6 HG21 VAL 6 -2.053 -2.712 0.127
47 HG22 VAL 6 HG22 VAL 6 -0.509 -3.029 0.916
48 HG23 VAL 6 HG23 VAL 6 -0.619 -1.789 -0.336
49 H HIS 7 H HIS 7 -2.255 0.509 3.610
50 HA HIS 7 HA HIS 7 -4.961 0.652 4.437
51 HB2 HIS 7 HB2 HIS 7 -3.267 2.068 5.441
52 HB3 HIS 7 HB3 HIS 7 -2.922 2.808 3.887
53 HD1 HIS 7 HD1 HIS 7 -5.570 2.753 6.570
54 HD2 HIS 7 HD2 HIS 7 -4.489 4.902 3.184
55 HE1 HIS 7 HE1 HIS 7 -7.069 4.774 6.546
56 HE2 HIS 7 HE2 HIS 7 -6.264 6.154 4.598
57 H ARG 8 H ARG 8 -3.377 2.482 1.774
58 HA ARG 8 HA ARG 8 -5.917 2.979 0.529
59 HB2 ARG 8 HB2 ARG 8 -3.191 3.425 -0.692
60 HB3 ARG 8 HB3 ARG 8 -4.697 4.213 -1.126
61 HG2 ARG 8 HG2 ARG 8 -4.637 5.065 1.322
62 HG3 ARG 8 HG3 ARG 8 -2.919 4.669 1.208
63 HD2 ARG 8 HD2 ARG 8 -4.464 6.539 -0.571
64 HD3 ARG 8 HD3 ARG 8 -3.299 6.989 0.663
65 HE ARG 8 HE ARG 8 -1.904 5.368 -1.030
66 HH11 ARG 8 HH11 ARG 8 -3.778 8.291 -1.434
67 HH12 ARG 8 HH12 ARG 8 -2.789 8.907 -2.719
68 HH21 ARG 8 HH21 ARG 8 -0.570 6.205 -2.720
69 HH22 ARG 8 HH22 ARG 8 -0.976 7.721 -3.445
70 HA PRO 9 HA PRO 9 -5.677 -0.534 -2.179
71 HB2 PRO 9 HB2 PRO 9 -7.714 0.064 -3.814
72 HB3 PRO 9 HB3 PRO 9 -7.978 -0.323 -2.111
73 HG2 PRO 9 HG2 PRO 9 -8.098 2.295 -3.492
74 HG3 PRO 9 HG3 PRO 9 -8.961 1.740 -2.048
75 HD2 PRO 9 HD2 PRO 9 -6.617 3.352 -2.157
76 HD3 PRO 9 HD3 PRO 9 -7.400 2.690 -0.713
77 H ASP 10 H ASP 10 -4.894 2.611 -3.146
78 HA ASP 10 HA ASP 10 -4.361 1.804 -5.911
79 HB2 ASP 10 HB2 ASP 10 -4.441 4.174 -6.456
80 HB3 ASP 10 HB3 ASP 10 -5.911 3.686 -5.625
81 H TRP 11 H TRP 11 -2.774 2.367 -2.986
82 HA TRP 11 HA TRP 11 -0.289 2.992 -4.423
83 HB2 TRP 11 HB2 TRP 11 0.636 3.801 -2.372
84 HB3 TRP 11 HB3 TRP 11 -0.967 4.474 -2.519
85 HD1 TRP 11 HD1 TRP 11 -1.637 1.158 -1.273
86 HE1 TRP 11 HE1 TRP 11 -1.841 1.159 1.276
87 HE3 TRP 11 HE3 TRP 11 0.402 5.727 -0.301
88 HZ2 TRP 11 HZ2 TRP 11 -1.200 2.866 3.435
89 HZ3 TRP 11 HZ3 TRP 11 0.568 6.474 2.029
90 HH2 TRP 11 HH2 TRP 11 -0.215 5.066 3.860
91 HA PRO 12 HA PRO 12 1.257 -1.092 -3.757
92 HB2 PRO 12 HB2 PRO 12 3.862 -0.778 -3.178
93 HB3 PRO 12 HB3 PRO 12 3.209 -0.386 -4.772
94 HG2 PRO 12 HG2 PRO 12 3.874 1.436 -2.496
95 HG3 PRO 12 HG3 PRO 12 4.181 1.653 -4.215
96 HD2 PRO 12 HD2 PRO 12 2.097 2.825 -2.919
97 HD3 PRO 12 HD3 PRO 12 2.065 2.413 -4.637
98 H CYS 13 H CYS 13 2.890 -2.380 -2.141
99 HA CYS 13 HA CYS 13 1.784 -1.874 0.513
100 HB2 CYS 13 HB2 CYS 13 2.538 -4.153 1.054
101 HB3 CYS 13 HB3 CYS 13 1.459 -4.119 -0.335
102 H TRP 14 H TRP 14 4.164 -0.517 -0.871
103 HA TRP 14 HA TRP 14 5.956 -0.692 1.424
104 HB2 TRP 14 HB2 TRP 14 7.923 -0.598 -0.205
105 HB3 TRP 14 HB3 TRP 14 7.078 -2.137 -0.069
106 HD1 TRP 14 HD1 TRP 14 5.602 -2.906 -2.170
107 HE1 TRP 14 HE1 TRP 14 5.669 -2.222 -4.652
108 HE3 TRP 14 HE3 TRP 14 8.341 1.378 -1.756
109 HZ2 TRP 14 HZ2 TRP 14 6.714 -0.135 -6.214
110 HZ3 TRP 14 HZ3 TRP 14 8.807 2.677 -3.781
111 HH2 TRP 14 HH2 TRP 14 8.004 1.936 -5.967
112 H TYR 15 H TYR 15 5.381 0.998 -1.645
113 HA TYR 15 HA TYR 15 5.782 3.136 -2.310
114 HB2 TYR 15 HB2 TYR 15 4.336 4.775 -0.974
115 HB3 TYR 15 HB3 TYR 15 3.549 3.400 -1.724
116 HD1 TYR 15 HD1 TYR 15 4.298 5.044 1.435
117 HD2 TYR 15 HD2 TYR 15 2.861 1.488 -0.391
118 HE1 TYR 15 HE1 TYR 15 3.350 4.328 3.585
119 HE2 TYR 15 HE2 TYR 15 1.923 0.765 1.738
120 HH TYR 15 HH TYR 15 2.240 1.167 4.140
121 H ARG 16 H ARG 16 7.927 3.443 -2.119
122 HA ARG 16 HA ARG 16 8.815 5.071 0.154
123 HB2 ARG 16 HB2 ARG 16 10.265 2.672 -0.988
124 HB3 ARG 16 HB3 ARG 16 10.936 3.782 0.198
125 HG2 ARG 16 HG2 ARG 16 9.555 3.025 1.885
126 HG3 ARG 16 HG3 ARG 16 8.368 2.372 0.760
127 HD2 ARG 16 HD2 ARG 16 9.931 0.606 0.122
128 HD3 ARG 16 HD3 ARG 16 11.132 1.260 1.237
129 HE ARG 16 HE ARG 16 8.884 0.790 2.758
130 HH11 ARG 16 HH11 ARG 16 11.059 -1.117 0.788
131 HH12 ARG 16 HH12 ARG 16 10.801 -2.576 1.692
132 HH21 ARG 16 HH21 ARG 16 8.548 -1.123 3.962
133 HH22 ARG 16 HH22 ARG 16 9.384 -2.577 3.509
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 -1.698 -2.145 -8.523
2 H3 PRO 1 HT2 PRO 1 -0.520 -2.114 -9.652
3 HA PRO 1 HA PRO 1 1.090 -2.017 -8.256
4 HB2 PRO 1 HB2 PRO 1 0.028 -0.837 -5.880
5 HB3 PRO 1 HB3 PRO 1 1.258 -0.186 -6.972
6 HG2 PRO 1 HG2 PRO 1 -1.647 0.329 -6.893
7 HG3 PRO 1 HG3 PRO 1 -0.333 1.349 -7.506
8 HD2 PRO 1 HD2 PRO 1 -2.028 0.135 -9.184
9 HD3 PRO 1 HD3 PRO 1 -0.308 0.289 -9.581
10 H SER 2 H SER 2 1.684 -3.270 -6.384
11 HA SER 2 HA SER 2 -0.099 -5.470 -6.001
12 HB2 SER 2 HB2 SER 2 2.553 -4.893 -4.663
13 HB3 SER 2 HB3 SER 2 1.719 -6.448 -4.699
14 HG SER 2 HG SER 2 2.089 -6.606 -6.867
15 H ILE 3 H ILE 3 -1.869 -4.814 -4.908
16 HA ILE 3 HA ILE 3 -1.627 -3.456 -2.359
17 HB ILE 3 HB ILE 3 -4.107 -4.618 -3.624
18 HG12 ILE 3 HG12 ILE 3 -3.079 -1.782 -3.815
19 HG13 ILE 3 HG13 ILE 3 -2.955 -2.973 -5.106
20 HG21 ILE 3 HG21 ILE 3 -5.278 -3.028 -2.194
21 HG22 ILE 3 HG22 ILE 3 -3.739 -2.503 -1.512
22 HG23 ILE 3 HG23 ILE 3 -4.302 -4.155 -1.251
23 HD11 ILE 3 HD11 ILE 3 -5.512 -1.925 -3.916
24 HD12 ILE 3 HD12 ILE 3 -5.384 -3.118 -5.210
25 HD13 ILE 3 HD13 ILE 3 -4.820 -1.464 -5.470
26 H HCS 4 H HCS 4 -0.599 -4.866 -1.038
27 HCA HCS 4 HA HCS 4 -1.329 -7.624 -0.814
28 HB2 HCS 4 HB1 HCS 4 0.417 -5.995 1.034
29 HB3 HCS 4 HB2 HCS 4 0.394 -7.743 0.873
30 HG2 HCS 4 HG1 HCS 4 1.230 -7.536 -1.418
31 HG3 HCS 4 HG2 HCS 4 1.258 -5.789 -1.241
32 H HIS 5 H HIS 5 -1.745 -4.738 1.140
33 HA HIS 5 HA HIS 5 -4.269 -5.450 2.087
34 HB2 HIS 5 HB2 HIS 5 -3.713 -5.621 4.555
35 HB3 HIS 5 HB3 HIS 5 -3.276 -7.013 3.578
36 HD1 HIS 5 HD1 HIS 5 -1.913 -4.782 6.085
37 HD2 HIS 5 HD2 HIS 5 -0.430 -7.066 2.951
38 HE1 HIS 5 HE1 HIS 5 0.560 -4.992 6.514
39 HE2 HIS 5 HE2 HIS 5 1.450 -6.340 4.574
40 H VAL 6 H VAL 6 -1.716 -3.848 3.846
41 HA VAL 6 HA VAL 6 -1.253 -1.706 4.374
42 HB VAL 6 HB VAL 6 -2.139 -0.558 1.840
43 HG11 VAL 6 HG11 VAL 6 0.134 0.225 1.770
44 HG12 VAL 6 HG12 VAL 6 0.584 -0.865 3.083
45 HG13 VAL 6 HG13 VAL 6 -0.525 0.474 3.383
46 HG21 VAL 6 HG21 VAL 6 -1.779 -2.817 1.019
47 HG22 VAL 6 HG22 VAL 6 -0.189 -2.852 1.779
48 HG23 VAL 6 HG23 VAL 6 -0.507 -1.733 0.453
49 H HIS 7 H HIS 7 -2.360 0.701 3.336
50 HA HIS 7 HA HIS 7 -4.953 0.729 4.695
51 HB2 HIS 7 HB2 HIS 7 -3.332 2.217 5.688
52 HB3 HIS 7 HB3 HIS 7 -2.961 2.920 4.122
53 HD1 HIS 7 HD1 HIS 7 -5.889 2.715 6.546
54 HD2 HIS 7 HD2 HIS 7 -4.351 5.136 3.534
55 HE1 HIS 7 HE1 HIS 7 -7.349 4.765 6.520
56 HE2 HIS 7 HE2 HIS 7 -6.234 6.314 4.876
57 H ARG 8 H ARG 8 -3.448 2.618 2.027
58 HA ARG 8 HA ARG 8 -6.006 3.279 0.956
59 HB2 ARG 8 HB2 ARG 8 -3.342 3.535 -0.436
60 HB3 ARG 8 HB3 ARG 8 -4.808 4.422 -0.790
61 HG2 ARG 8 HG2 ARG 8 -4.529 5.178 1.710
62 HG3 ARG 8 HG3 ARG 8 -2.839 4.808 1.374
63 HD2 ARG 8 HD2 ARG 8 -4.625 6.847 0.122
64 HD3 ARG 8 HD3 ARG 8 -3.035 7.059 0.837
65 HE ARG 8 HE ARG 8 -3.516 5.732 -1.768
66 HH11 ARG 8 HH11 ARG 8 -1.568 7.804 0.315
67 HH12 ARG 8 HH12 ARG 8 -0.395 8.139 -0.917
68 HH21 ARG 8 HH21 ARG 8 -1.988 6.183 -3.375
69 HH22 ARG 8 HH22 ARG 8 -0.602 7.173 -2.999
70 HA PRO 9 HA PRO 9 -6.376 -0.131 -1.854
71 HB2 PRO 9 HB2 PRO 9 -8.488 0.708 -3.258
72 HB3 PRO 9 HB3 PRO 9 -8.617 0.329 -1.538
73 HG2 PRO 9 HG2 PRO 9 -8.563 2.968 -2.886
74 HG3 PRO 9 HG3 PRO 9 -9.369 2.487 -1.386
75 HD2 PRO 9 HD2 PRO 9 -6.877 3.834 -1.647
76 HD3 PRO 9 HD3 PRO 9 -7.604 3.201 -0.158
77 H ASP 10 H ASP 10 -4.935 2.647 -2.713
78 HA ASP 10 HA ASP 10 -4.800 1.939 -5.562
79 HB2 ASP 10 HB2 ASP 10 -4.361 4.252 -6.041
80 HB3 ASP 10 HB3 ASP 10 -5.806 4.167 -5.046
81 H TRP 11 H TRP 11 -3.023 2.279 -2.644
82 HA TRP 11 HA TRP 11 -0.517 2.533 -4.140
83 HB2 TRP 11 HB2 TRP 11 0.493 3.452 -2.191
84 HB3 TRP 11 HB3 TRP 11 -1.085 4.206 -2.337
85 HD1 TRP 11 HD1 TRP 11 -1.915 1.033 -0.847
86 HE1 TRP 11 HE1 TRP 11 -2.010 1.202 1.695
87 HE3 TRP 11 HE3 TRP 11 0.479 5.498 -0.221
88 HZ2 TRP 11 HZ2 TRP 11 -1.169 2.984 3.731
89 HZ3 TRP 11 HZ3 TRP 11 0.797 6.366 2.054
90 HH2 TRP 11 HH2 TRP 11 -0.011 5.129 3.991
91 HA PRO 12 HA PRO 12 0.730 -1.596 -3.152
92 HB2 PRO 12 HB2 PRO 12 3.392 -1.413 -2.928
93 HB3 PRO 12 HB3 PRO 12 2.579 -1.096 -4.465
94 HG2 PRO 12 HG2 PRO 12 3.600 0.842 -2.426
95 HG3 PRO 12 HG3 PRO 12 3.750 0.902 -4.179
96 HD2 PRO 12 HD2 PRO 12 1.881 2.308 -2.778
97 HD3 PRO 12 HD3 PRO 12 1.656 1.790 -4.456
98 H CYS 13 H CYS 13 2.667 -2.677 -1.612
99 HA CYS 13 HA CYS 13 1.772 -1.981 1.075
100 HB2 CYS 13 HB2 CYS 13 2.575 -4.174 1.746
101 HB3 CYS 13 HB3 CYS 13 1.476 -4.308 0.376
102 H TRP 14 H TRP 14 4.030 -0.759 -0.666
103 HA TRP 14 HA TRP 14 6.036 -0.738 1.468
104 HB2 TRP 14 HB2 TRP 14 7.821 -0.788 -0.364
105 HB3 TRP 14 HB3 TRP 14 6.994 -2.306 -0.013
106 HD1 TRP 14 HD1 TRP 14 5.313 -3.237 -1.865
107 HE1 TRP 14 HE1 TRP 14 5.125 -2.789 -4.390
108 HE3 TRP 14 HE3 TRP 14 8.075 1.045 -2.128
109 HZ2 TRP 14 HZ2 TRP 14 6.008 -0.852 -6.239
110 HZ3 TRP 14 HZ3 TRP 14 8.333 2.149 -4.305
111 HH2 TRP 14 HH2 TRP 14 7.322 1.216 -6.316
112 H TYR 15 H TYR 15 5.135 0.708 -1.646
113 HA TYR 15 HA TYR 15 5.491 2.765 -2.527
114 HB2 TYR 15 HB2 TYR 15 4.266 4.551 -1.124
115 HB3 TYR 15 HB3 TYR 15 3.358 3.198 -1.770
116 HD1 TYR 15 HD1 TYR 15 2.793 1.297 -0.265
117 HD2 TYR 15 HD2 TYR 15 4.337 4.959 1.233
118 HE1 TYR 15 HE1 TYR 15 1.995 0.708 1.962
119 HE2 TYR 15 HE2 TYR 15 3.535 4.387 3.482
120 HH TYR 15 HH TYR 15 1.864 2.970 4.533
121 H ARG 16 H ARG 16 7.635 3.085 -2.627
122 HA ARG 16 HA ARG 16 8.835 4.735 -0.507
123 HB2 ARG 16 HB2 ARG 16 10.064 2.402 -1.986
124 HB3 ARG 16 HB3 ARG 16 10.991 3.529 -1.003
125 HG2 ARG 16 HG2 ARG 16 10.024 2.782 0.983
126 HG3 ARG 16 HG3 ARG 16 8.665 2.030 0.147
127 HD2 ARG 16 HD2 ARG 16 10.310 0.398 1.028
128 HD3 ARG 16 HD3 ARG 16 10.079 0.294 -0.714
129 HE ARG 16 HE ARG 16 12.243 1.971 -0.314
130 HH11 ARG 16 HH11 ARG 16 11.434 -1.360 0.420
131 HH12 ARG 16 HH12 ARG 16 13.077 -1.906 0.343
132 HH21 ARG 16 HH21 ARG 16 14.397 1.237 -0.460
133 HH22 ARG 16 HH22 ARG 16 14.762 -0.437 -0.190
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 -1.470 -1.447 -8.407
2 H3 PRO 1 HT2 PRO 1 -0.325 -1.598 -9.565
3 HA PRO 1 HA PRO 1 1.263 -2.165 -8.210
4 HB2 PRO 1 HB2 PRO 1 0.231 -1.279 -5.643
5 HB3 PRO 1 HB3 PRO 1 1.785 -0.924 -6.408
6 HG2 PRO 1 HG2 PRO 1 -0.665 0.655 -6.396
7 HG3 PRO 1 HG3 PRO 1 0.972 1.137 -6.863
8 HD2 PRO 1 HD2 PRO 1 -1.040 0.885 -8.660
9 HD3 PRO 1 HD3 PRO 1 0.650 0.553 -9.078
10 H SER 2 H SER 2 1.209 -3.495 -5.965
11 HA SER 2 HA SER 2 -1.073 -5.318 -6.238
12 HB2 SER 2 HB2 SER 2 1.603 -5.869 -4.943
13 HB3 SER 2 HB3 SER 2 0.359 -7.042 -5.369
14 HG SER 2 HG SER 2 0.888 -6.901 -7.442
15 H ILE 3 H ILE 3 -2.556 -5.222 -4.697
16 HA ILE 3 HA ILE 3 -1.999 -3.865 -2.200
17 HB ILE 3 HB ILE 3 -4.556 -5.251 -2.993
18 HG12 ILE 3 HG12 ILE 3 -3.821 -2.337 -3.365
19 HG13 ILE 3 HG13 ILE 3 -3.889 -3.523 -4.664
20 HG21 ILE 3 HG21 ILE 3 -3.965 -3.077 -0.991
21 HG22 ILE 3 HG22 ILE 3 -4.331 -4.765 -0.620
22 HG23 ILE 3 HG23 ILE 3 -5.563 -3.730 -1.351
23 HD11 ILE 3 HD11 ILE 3 -6.274 -3.833 -4.257
24 HD12 ILE 3 HD12 ILE 3 -5.890 -2.148 -4.617
25 HD13 ILE 3 HD13 ILE 3 -6.206 -2.645 -2.954
26 H HCS 4 H HCS 4 -0.671 -5.154 -1.029
27 HCA HCS 4 HA HCS 4 -1.122 -7.948 -0.616
28 HB2 HCS 4 HB1 HCS 4 0.574 -6.080 1.038
29 HB3 HCS 4 HB2 HCS 4 0.728 -7.825 0.923
30 HG2 HCS 4 HG1 HCS 4 1.343 -7.588 -1.441
31 HG3 HCS 4 HG2 HCS 4 1.251 -5.844 -1.275
32 H HIS 5 H HIS 5 -1.362 -5.090 1.402
33 HA HIS 5 HA HIS 5 -3.827 -5.442 2.483
34 HB2 HIS 5 HB2 HIS 5 -3.459 -6.312 4.753
35 HB3 HIS 5 HB3 HIS 5 -3.090 -7.522 3.538
36 HD1 HIS 5 HD1 HIS 5 -1.750 -5.962 6.511
37 HD2 HIS 5 HD2 HIS 5 -0.212 -7.838 3.146
38 HE1 HIS 5 HE1 HIS 5 0.579 -6.661 7.141
39 HE2 HIS 5 HE2 HIS 5 1.552 -7.629 5.030
40 H VAL 6 H VAL 6 -3.488 -3.258 1.970
41 HA VAL 6 HA VAL 6 -1.733 -1.801 3.831
42 HB VAL 6 HB VAL 6 -2.174 -0.419 1.314
43 HG11 VAL 6 HG11 VAL 6 0.275 -0.174 1.449
44 HG12 VAL 6 HG12 VAL 6 0.279 -1.248 2.851
45 HG13 VAL 6 HG13 VAL 6 -0.552 0.309 2.930
46 HG21 VAL 6 HG21 VAL 6 -0.669 -3.028 1.211
47 HG22 VAL 6 HG22 VAL 6 -0.680 -1.796 -0.052
48 HG23 VAL 6 HG23 VAL 6 -2.165 -2.654 0.359
49 H HIS 7 H HIS 7 -2.328 0.567 3.944
50 HA HIS 7 HA HIS 7 -5.002 0.871 4.745
51 HB2 HIS 7 HB2 HIS 7 -3.258 2.208 5.739
52 HB3 HIS 7 HB3 HIS 7 -2.854 2.916 4.184
53 HD1 HIS 7 HD1 HIS 7 -5.676 2.930 6.716
54 HD2 HIS 7 HD2 HIS 7 -4.140 5.222 3.607
55 HE1 HIS 7 HE1 HIS 7 -6.963 5.089 6.767
56 HE2 HIS 7 HE2 HIS 7 -5.893 6.526 4.992
57 H ARG 8 H ARG 8 -3.383 2.614 2.048
58 HA ARG 8 HA ARG 8 -5.930 3.307 0.927
59 HB2 ARG 8 HB2 ARG 8 -3.239 3.587 -0.401
60 HB3 ARG 8 HB3 ARG 8 -4.700 4.492 -0.747
61 HG2 ARG 8 HG2 ARG 8 -4.416 5.151 1.794
62 HG3 ARG 8 HG3 ARG 8 -2.725 4.833 1.406
63 HD2 ARG 8 HD2 ARG 8 -4.584 6.880 0.272
64 HD3 ARG 8 HD3 ARG 8 -2.983 7.096 0.959
65 HE ARG 8 HE ARG 8 -3.509 5.889 -1.689
66 HH11 ARG 8 HH11 ARG 8 -1.495 7.755 0.506
67 HH12 ARG 8 HH12 ARG 8 -0.334 8.167 -0.715
68 HH21 ARG 8 HH21 ARG 8 -2.013 6.466 -3.300
69 HH22 ARG 8 HH22 ARG 8 -0.622 7.430 -2.876
70 HA PRO 9 HA PRO 9 -6.117 -0.122 -1.862
71 HB2 PRO 9 HB2 PRO 9 -8.152 0.693 -3.409
72 HB3 PRO 9 HB3 PRO 9 -8.382 0.281 -1.706
73 HG2 PRO 9 HG2 PRO 9 -8.336 2.931 -3.019
74 HG3 PRO 9 HG3 PRO 9 -9.173 2.416 -1.548
75 HD2 PRO 9 HD2 PRO 9 -6.708 3.828 -1.737
76 HD3 PRO 9 HD3 PRO 9 -7.480 3.205 -0.269
77 H ASP 10 H ASP 10 -5.022 2.920 -2.815
78 HA ASP 10 HA ASP 10 -4.702 2.163 -5.625
79 HB2 ASP 10 HB2 ASP 10 -4.278 4.484 -6.061
80 HB3 ASP 10 HB3 ASP 10 -5.708 4.383 -5.040
81 H TRP 11 H TRP 11 -2.931 2.464 -2.700
82 HA TRP 11 HA TRP 11 -0.427 2.774 -4.182
83 HB2 TRP 11 HB2 TRP 11 0.559 3.655 -2.204
84 HB3 TRP 11 HB3 TRP 11 -1.033 4.372 -2.318
85 HD1 TRP 11 HD1 TRP 11 -1.840 1.162 -0.954
86 HE1 TRP 11 HE1 TRP 11 -1.936 1.224 1.598
87 HE3 TRP 11 HE3 TRP 11 0.581 5.577 -0.163
88 HZ2 TRP 11 HZ2 TRP 11 -1.082 2.916 3.695
89 HZ3 TRP 11 HZ3 TRP 11 0.898 6.348 2.145
90 HH2 TRP 11 HH2 TRP 11 0.086 5.042 4.035
91 HA PRO 12 HA PRO 12 0.866 -1.357 -3.321
92 HB2 PRO 12 HB2 PRO 12 3.514 -1.148 -2.938
93 HB3 PRO 12 HB3 PRO 12 2.780 -0.807 -4.510
94 HG2 PRO 12 HG2 PRO 12 3.651 1.096 -2.372
95 HG3 PRO 12 HG3 PRO 12 3.902 1.200 -4.109
96 HD2 PRO 12 HD2 PRO 12 1.941 2.559 -2.808
97 HD3 PRO 12 HD3 PRO 12 1.795 2.033 -4.495
98 H CYS 13 H CYS 13 2.657 -2.527 -1.751
99 HA CYS 13 HA CYS 13 1.680 -1.946 0.932
100 HB2 CYS 13 HB2 CYS 13 2.500 -4.169 1.520
101 HB3 CYS 13 HB3 CYS 13 1.446 -4.242 0.113
102 H TRP 14 H TRP 14 3.991 -0.626 -0.676
103 HA TRP 14 HA TRP 14 5.913 -0.655 1.523
104 HB2 TRP 14 HB2 TRP 14 7.776 -0.681 -0.236
105 HB3 TRP 14 HB3 TRP 14 6.940 -2.199 0.065
106 HD1 TRP 14 HD1 TRP 14 5.334 -3.108 -1.870
107 HE1 TRP 14 HE1 TRP 14 5.222 -2.608 -4.390
108 HE3 TRP 14 HE3 TRP 14 8.118 1.152 -1.939
109 HZ2 TRP 14 HZ2 TRP 14 6.182 -0.631 -6.172
110 HZ3 TRP 14 HZ3 TRP 14 8.459 2.307 -4.073
111 HH2 TRP 14 HH2 TRP 14 7.512 1.432 -6.146
112 H TYR 15 H TYR 15 5.148 0.840 -1.603
113 HA TYR 15 HA TYR 15 5.488 2.920 -2.437
114 HB2 TYR 15 HB2 TYR 15 4.273 4.689 -1.007
115 HB3 TYR 15 HB3 TYR 15 3.359 3.344 -1.671
116 HD1 TYR 15 HD1 TYR 15 2.638 1.511 -0.240
117 HD2 TYR 15 HD2 TYR 15 4.516 4.950 1.392
118 HE1 TYR 15 HE1 TYR 15 1.845 0.874 1.976
119 HE2 TYR 15 HE2 TYR 15 3.725 4.331 3.635
120 HH TYR 15 HH TYR 15 1.995 3.000 4.674
121 H ARG 16 H ARG 16 7.624 3.338 -2.553
122 HA ARG 16 HA ARG 16 8.792 4.988 -0.447
123 HB2 ARG 16 HB2 ARG 16 10.080 2.468 -1.518
124 HB3 ARG 16 HB3 ARG 16 10.844 3.611 -0.419
125 HG2 ARG 16 HG2 ARG 16 9.415 3.037 1.347
126 HG3 ARG 16 HG3 ARG 16 8.278 2.233 0.266
127 HD2 ARG 16 HD2 ARG 16 9.929 0.497 -0.192
128 HD3 ARG 16 HD3 ARG 16 11.070 1.288 0.902
129 HE ARG 16 HE ARG 16 8.771 0.857 2.367
130 HH11 ARG 16 HH11 ARG 16 11.176 -1.110 0.733
131 HH12 ARG 16 HH12 ARG 16 10.880 -2.500 1.725
132 HH21 ARG 16 HH21 ARG 16 8.389 -0.962 3.669
133 HH22 ARG 16 HH22 ARG 16 9.312 -2.413 3.412
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 -1.387 -1.994 -8.450
2 H3 PRO 1 HT2 PRO 1 -0.391 -1.682 -9.704
3 HA PRO 1 HA PRO 1 1.301 -2.386 -8.682
4 HB2 PRO 1 HB2 PRO 1 1.372 -1.439 -6.078
5 HB3 PRO 1 HB3 PRO 1 2.118 -0.655 -7.481
6 HG2 PRO 1 HG2 PRO 1 -0.510 -0.112 -6.183
7 HG3 PRO 1 HG3 PRO 1 0.645 1.027 -6.896
8 HD2 PRO 1 HD2 PRO 1 -1.592 0.344 -8.190
9 HD3 PRO 1 HD3 PRO 1 -0.074 0.595 -9.066
10 H SER 2 H SER 2 1.954 -3.745 -6.666
11 HA SER 2 HA SER 2 -0.095 -5.662 -6.194
12 HB2 SER 2 HB2 SER 2 2.600 -5.351 -4.851
13 HB3 SER 2 HB3 SER 2 1.577 -6.786 -4.791
14 HG SER 2 HG SER 2 1.870 -7.073 -6.979
15 H ILE 3 H ILE 3 -1.812 -4.946 -5.060
16 HA ILE 3 HA ILE 3 -1.431 -3.440 -2.599
17 HB ILE 3 HB ILE 3 -4.007 -4.453 -3.807
18 HG12 ILE 3 HG12 ILE 3 -2.740 -1.714 -4.033
19 HG13 ILE 3 HG13 ILE 3 -2.778 -2.915 -5.322
20 HG21 ILE 3 HG21 ILE 3 -3.470 -2.374 -1.682
21 HG22 ILE 3 HG22 ILE 3 -4.224 -3.954 -1.445
22 HG23 ILE 3 HG23 ILE 3 -5.051 -2.714 -2.392
23 HD11 ILE 3 HD11 ILE 3 -5.180 -1.618 -4.058
24 HD12 ILE 3 HD12 ILE 3 -5.205 -2.789 -5.380
25 HD13 ILE 3 HD13 ILE 3 -4.479 -1.200 -5.621
26 H HCS 4 H HCS 4 -0.598 -4.758 -1.093
27 HCA HCS 4 HA HCS 4 -1.356 -7.495 -0.830
28 HB2 HCS 4 HB1 HCS 4 0.217 -5.793 1.108
29 HB3 HCS 4 HB2 HCS 4 0.168 -7.551 1.058
30 HG2 HCS 4 HG1 HCS 4 1.180 -7.494 -1.177
31 HG3 HCS 4 HG2 HCS 4 1.272 -5.744 -1.079
32 H HIS 5 H HIS 5 -1.838 -4.620 1.151
33 HA HIS 5 HA HIS 5 -4.517 -5.133 1.679
34 HB2 HIS 5 HB2 HIS 5 -4.383 -5.532 4.169
35 HB3 HIS 5 HB3 HIS 5 -3.922 -6.896 3.165
36 HD1 HIS 5 HD1 HIS 5 -2.761 -4.866 5.952
37 HD2 HIS 5 HD2 HIS 5 -1.060 -7.317 3.067
38 HE1 HIS 5 HE1 HIS 5 -0.460 -5.414 6.804
39 HE2 HIS 5 HE2 HIS 5 0.474 -7.045 5.129
40 H VAL 6 H VAL 6 -1.972 -3.903 3.756
41 HA VAL 6 HA VAL 6 -1.409 -1.835 4.493
42 HB VAL 6 HB VAL 6 -2.104 -0.526 1.949
43 HG11 VAL 6 HG11 VAL 6 0.546 -0.883 3.340
44 HG12 VAL 6 HG12 VAL 6 -0.604 0.396 3.716
45 HG13 VAL 6 HG13 VAL 6 0.127 0.316 2.113
46 HG21 VAL 6 HG21 VAL 6 -1.704 -2.765 1.101
47 HG22 VAL 6 HG22 VAL 6 -0.181 -2.853 1.991
48 HG23 VAL 6 HG23 VAL 6 -0.364 -1.699 0.666
49 H HIS 7 H HIS 7 -2.347 0.716 3.496
50 HA HIS 7 HA HIS 7 -4.910 0.839 4.898
51 HB2 HIS 7 HB2 HIS 7 -3.226 2.279 5.837
52 HB3 HIS 7 HB3 HIS 7 -2.842 2.939 4.258
53 HD1 HIS 7 HD1 HIS 7 -5.637 3.027 6.836
54 HD2 HIS 7 HD2 HIS 7 -4.200 5.164 3.571
55 HE1 HIS 7 HE1 HIS 7 -6.987 5.151 6.769
56 HE2 HIS 7 HE2 HIS 7 -6.218 6.337 4.683
57 H ARG 8 H ARG 8 -3.391 2.472 2.079
58 HA ARG 8 HA ARG 8 -5.959 3.273 1.097
59 HB2 ARG 8 HB2 ARG 8 -3.311 3.418 -0.342
60 HB3 ARG 8 HB3 ARG 8 -4.751 4.341 -0.702
61 HG2 ARG 8 HG2 ARG 8 -4.462 5.221 1.723
62 HG3 ARG 8 HG3 ARG 8 -2.797 4.678 1.504
63 HD2 ARG 8 HD2 ARG 8 -4.309 6.631 -0.201
64 HD3 ARG 8 HD3 ARG 8 -2.985 7.002 0.900
65 HE ARG 8 HE ARG 8 -1.693 5.417 -0.696
66 HH11 ARG 8 HH11 ARG 8 -4.144 7.750 -1.579
67 HH12 ARG 8 HH12 ARG 8 -3.520 7.998 -3.179
68 HH21 ARG 8 HH21 ARG 8 -0.840 5.772 -2.808
69 HH22 ARG 8 HH22 ARG 8 -1.676 6.832 -3.894
70 HA PRO 9 HA PRO 9 -6.449 -0.140 -1.725
71 HB2 PRO 9 HB2 PRO 9 -8.590 0.730 -3.050
72 HB3 PRO 9 HB3 PRO 9 -8.677 0.383 -1.320
73 HG2 PRO 9 HG2 PRO 9 -8.565 3.009 -2.718
74 HG3 PRO 9 HG3 PRO 9 -9.393 2.570 -1.215
75 HD2 PRO 9 HD2 PRO 9 -6.862 3.831 -1.466
76 HD3 PRO 9 HD3 PRO 9 -7.604 3.211 0.018
77 H ASP 10 H ASP 10 -4.835 2.460 -2.457
78 HA ASP 10 HA ASP 10 -4.903 2.093 -5.378
79 HB2 ASP 10 HB2 ASP 10 -5.750 4.277 -4.894
80 HB3 ASP 10 HB3 ASP 10 -4.473 4.583 -3.724
81 H TRP 11 H TRP 11 -3.004 2.174 -2.511
82 HA TRP 11 HA TRP 11 -0.544 2.419 -4.078
83 HB2 TRP 11 HB2 TRP 11 0.521 3.343 -2.157
84 HB3 TRP 11 HB3 TRP 11 -1.048 4.112 -2.284
85 HD1 TRP 11 HD1 TRP 11 -1.883 0.968 -0.751
86 HE1 TRP 11 HE1 TRP 11 -1.948 1.158 1.788
87 HE3 TRP 11 HE3 TRP 11 0.547 5.423 -0.203
88 HZ2 TRP 11 HZ2 TRP 11 -1.072 2.955 3.802
89 HZ3 TRP 11 HZ3 TRP 11 0.888 6.312 2.057
90 HH2 TRP 11 HH2 TRP 11 0.099 5.099 4.025
91 HA PRO 12 HA PRO 12 0.740 -1.697 -3.034
92 HB2 PRO 12 HB2 PRO 12 3.405 -1.477 -2.792
93 HB3 PRO 12 HB3 PRO 12 2.602 -1.222 -4.346
94 HG2 PRO 12 HG2 PRO 12 3.583 0.795 -2.369
95 HG3 PRO 12 HG3 PRO 12 3.745 0.790 -4.121
96 HD2 PRO 12 HD2 PRO 12 1.853 2.235 -2.795
97 HD3 PRO 12 HD3 PRO 12 1.633 1.634 -4.449
98 H CYS 13 H CYS 13 2.682 -2.721 -1.456
99 HA CYS 13 HA CYS 13 1.843 -1.895 1.214
100 HB2 CYS 13 HB2 CYS 13 2.638 -4.064 1.979
101 HB3 CYS 13 HB3 CYS 13 1.500 -4.246 0.649
102 H TRP 14 H TRP 14 4.027 -0.692 -0.562
103 HA TRP 14 HA TRP 14 6.080 -0.585 1.515
104 HB2 TRP 14 HB2 TRP 14 7.832 -0.657 -0.349
105 HB3 TRP 14 HB3 TRP 14 7.059 -2.178 0.084
106 HD1 TRP 14 HD1 TRP 14 5.374 -3.243 -1.685
107 HE1 TRP 14 HE1 TRP 14 5.125 -2.918 -4.226
108 HE3 TRP 14 HE3 TRP 14 8.012 1.089 -2.202
109 HZ2 TRP 14 HZ2 TRP 14 5.922 -1.056 -6.181
110 HZ3 TRP 14 HZ3 TRP 14 8.205 2.095 -4.431
111 HH2 TRP 14 HH2 TRP 14 7.186 1.036 -6.379
112 H TYR 15 H TYR 15 5.094 0.719 -1.626
113 HA TYR 15 HA TYR 15 5.383 2.745 -2.595
114 HB2 TYR 15 HB2 TYR 15 4.234 4.580 -1.166
115 HB3 TYR 15 HB3 TYR 15 3.298 3.229 -1.781
116 HD1 TYR 15 HD1 TYR 15 2.751 1.332 -0.249
117 HD2 TYR 15 HD2 TYR 15 4.380 4.987 1.190
118 HE1 TYR 15 HE1 TYR 15 2.022 0.756 2.005
119 HE2 TYR 15 HE2 TYR 15 3.649 4.418 3.466
120 HH TYR 15 HH TYR 15 2.617 1.326 4.353
121 H ARG 16 H ARG 16 7.543 3.057 -2.780
122 HA ARG 16 HA ARG 16 8.813 4.774 -0.761
123 HB2 ARG 16 HB2 ARG 16 10.020 2.382 -2.167
124 HB3 ARG 16 HB3 ARG 16 10.920 3.504 -1.158
125 HG2 ARG 16 HG2 ARG 16 9.770 2.832 0.791
126 HG3 ARG 16 HG3 ARG 16 8.558 1.953 -0.137
127 HD2 ARG 16 HD2 ARG 16 10.185 0.310 -0.799
128 HD3 ARG 16 HD3 ARG 16 11.487 1.238 -0.055
129 HE ARG 16 HE ARG 16 9.975 0.805 2.065
130 HH11 ARG 16 HH11 ARG 16 10.843 -1.395 -0.509
131 HH12 ARG 16 HH12 ARG 16 10.740 -2.808 0.487
132 HH21 ARG 16 HH21 ARG 16 9.862 -1.053 3.398
133 HH22 ARG 16 HH22 ARG 16 10.187 -2.614 2.713
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 -2.515 -2.018 -7.863
2 H3 PRO 1 HT2 PRO 1 -1.670 -1.260 -9.036
3 HA PRO 1 HA PRO 1 0.125 -1.887 -8.168
4 HB2 PRO 1 HB2 PRO 1 -0.196 -0.806 -5.469
5 HB3 PRO 1 HB3 PRO 1 0.997 -0.394 -6.713
6 HG2 PRO 1 HG2 PRO 1 -1.017 1.271 -6.064
7 HG3 PRO 1 HG3 PRO 1 -0.388 1.147 -7.717
8 HD2 PRO 1 HD2 PRO 1 -2.857 -0.099 -6.530
9 HD3 PRO 1 HD3 PRO 1 -2.658 0.721 -8.091
10 H SER 2 H SER 2 1.162 -3.136 -6.292
11 HA SER 2 HA SER 2 -0.460 -5.414 -5.790
12 HB2 SER 2 HB2 SER 2 2.235 -4.752 -4.586
13 HB3 SER 2 HB3 SER 2 1.500 -6.350 -4.739
14 HG SER 2 HG SER 2 3.060 -5.150 -6.459
15 H ILE 3 H ILE 3 -2.157 -4.994 -4.483
16 HA ILE 3 HA ILE 3 -1.751 -3.682 -1.922
17 HB ILE 3 HB ILE 3 -4.270 -4.951 -2.969
18 HG12 ILE 3 HG12 ILE 3 -3.428 -2.051 -3.110
19 HG13 ILE 3 HG13 ILE 3 -3.440 -3.160 -4.480
20 HG21 ILE 3 HG21 ILE 3 -4.224 -4.613 -0.556
21 HG22 ILE 3 HG22 ILE 3 -5.386 -3.527 -1.321
22 HG23 ILE 3 HG23 ILE 3 -3.817 -2.916 -0.795
23 HD11 ILE 3 HD11 ILE 3 -5.850 -3.399 -4.277
24 HD12 ILE 3 HD12 ILE 3 -5.397 -1.703 -4.464
25 HD13 ILE 3 HD13 ILE 3 -5.847 -2.326 -2.875
26 H HCS 4 H HCS 4 -0.490 -5.060 -0.786
27 HCA HCS 4 HA HCS 4 -0.985 -7.859 -0.564
28 HB2 HCS 4 HB1 HCS 4 0.676 -6.069 1.220
29 HB3 HCS 4 HB2 HCS 4 0.779 -7.819 1.120
30 HG2 HCS 4 HG1 HCS 4 1.492 -7.653 -1.197
31 HG3 HCS 4 HG2 HCS 4 1.393 -5.904 -1.110
32 H HIS 5 H HIS 5 -1.369 -5.138 1.635
33 HA HIS 5 HA HIS 5 -3.912 -5.754 2.510
34 HB2 HIS 5 HB2 HIS 5 -3.566 -6.577 4.790
35 HB3 HIS 5 HB3 HIS 5 -2.932 -7.713 3.614
36 HD1 HIS 5 HD1 HIS 5 -2.045 -5.934 6.639
37 HD2 HIS 5 HD2 HIS 5 -0.039 -7.664 3.447
38 HE1 HIS 5 HE1 HIS 5 0.322 -6.261 7.432
39 HE2 HIS 5 HE2 HIS 5 1.463 -7.487 5.549
40 H VAL 6 H VAL 6 -2.948 -3.562 1.650
41 HA VAL 6 HA VAL 6 -1.757 -1.970 3.789
42 HB VAL 6 HB VAL 6 -2.065 -0.617 1.234
43 HG11 VAL 6 HG11 VAL 6 0.333 -0.227 1.548
44 HG12 VAL 6 HG12 VAL 6 0.332 -1.336 2.921
45 HG13 VAL 6 HG13 VAL 6 -0.597 0.164 2.996
46 HG21 VAL 6 HG21 VAL 6 -0.432 -1.941 -0.010
47 HG22 VAL 6 HG22 VAL 6 -1.894 -2.868 0.322
48 HG23 VAL 6 HG23 VAL 6 -0.439 -3.154 1.273
49 H HIS 7 H HIS 7 -2.440 0.409 3.783
50 HA HIS 7 HA HIS 7 -5.176 0.608 4.413
51 HB2 HIS 7 HB2 HIS 7 -3.568 2.053 5.489
52 HB3 HIS 7 HB3 HIS 7 -3.098 2.746 3.945
53 HD1 HIS 7 HD1 HIS 7 -6.182 2.602 6.180
54 HD2 HIS 7 HD2 HIS 7 -4.380 5.020 3.318
55 HE1 HIS 7 HE1 HIS 7 -7.575 4.690 6.094
56 HE2 HIS 7 HE2 HIS 7 -6.406 6.189 4.443
57 H ARG 8 H ARG 8 -3.465 2.411 1.817
58 HA ARG 8 HA ARG 8 -5.958 3.109 0.609
59 HB2 ARG 8 HB2 ARG 8 -3.224 3.418 -0.618
60 HB3 ARG 8 HB3 ARG 8 -4.673 4.310 -1.016
61 HG2 ARG 8 HG2 ARG 8 -4.567 5.097 1.435
62 HG3 ARG 8 HG3 ARG 8 -2.883 4.578 1.333
63 HD2 ARG 8 HD2 ARG 8 -4.267 6.585 -0.424
64 HD3 ARG 8 HD3 ARG 8 -3.067 6.927 0.813
65 HE ARG 8 HE ARG 8 -1.650 5.354 -0.759
66 HH11 ARG 8 HH11 ARG 8 -3.840 7.936 -1.644
67 HH12 ARG 8 HH12 ARG 8 -2.948 8.385 -3.066
68 HH21 ARG 8 HH21 ARG 8 -0.450 5.959 -2.640
69 HH22 ARG 8 HH22 ARG 8 -1.031 7.257 -3.631
70 HA PRO 9 HA PRO 9 -5.897 -0.126 -2.484
71 HB2 PRO 9 HB2 PRO 9 -7.906 0.828 -4.016
72 HB3 PRO 9 HB3 PRO 9 -8.195 0.092 -2.439
73 HG2 PRO 9 HG2 PRO 9 -8.373 2.912 -3.248
74 HG3 PRO 9 HG3 PRO 9 -9.111 2.090 -1.866
75 HD2 PRO 9 HD2 PRO 9 -6.738 3.713 -1.927
76 HD3 PRO 9 HD3 PRO 9 -7.488 2.929 -0.527
77 H ASP 10 H ASP 10 -5.000 3.052 -2.838
78 HA ASP 10 HA ASP 10 -4.530 2.984 -5.707
79 HB2 ASP 10 HB2 ASP 10 -3.986 5.173 -3.688
80 HB3 ASP 10 HB3 ASP 10 -3.880 5.331 -5.434
81 H TRP 11 H TRP 11 -2.882 2.256 -2.825
82 HA TRP 11 HA TRP 11 -0.312 2.676 -4.175
83 HB2 TRP 11 HB2 TRP 11 0.679 3.428 -2.161
84 HB3 TRP 11 HB3 TRP 11 -0.852 4.263 -2.295
85 HD1 TRP 11 HD1 TRP 11 -1.775 0.995 -0.983
86 HE1 TRP 11 HE1 TRP 11 -1.969 1.078 1.564
87 HE3 TRP 11 HE3 TRP 11 0.583 5.429 -0.142
88 HZ2 TRP 11 HZ2 TRP 11 -1.218 2.807 3.681
89 HZ3 TRP 11 HZ3 TRP 11 0.805 6.234 2.168
90 HH2 TRP 11 HH2 TRP 11 -0.068 4.935 4.038
91 HA PRO 12 HA PRO 12 0.726 -1.546 -3.207
92 HB2 PRO 12 HB2 PRO 12 3.381 -1.470 -3.002
93 HB3 PRO 12 HB3 PRO 12 2.592 -1.071 -4.531
94 HG2 PRO 12 HG2 PRO 12 3.666 0.766 -2.424
95 HG3 PRO 12 HG3 PRO 12 3.862 0.855 -4.174
96 HD2 PRO 12 HD2 PRO 12 2.023 2.308 -2.785
97 HD3 PRO 12 HD3 PRO 12 1.814 1.835 -4.479
98 H CYS 13 H CYS 13 2.694 -2.630 -1.662
99 HA CYS 13 HA CYS 13 1.785 -1.963 1.029
100 HB2 CYS 13 HB2 CYS 13 2.693 -4.130 1.685
101 HB3 CYS 13 HB3 CYS 13 1.587 -4.298 0.327
102 H TRP 14 H TRP 14 4.051 -0.693 -0.721
103 HA TRP 14 HA TRP 14 6.062 -0.689 1.408
104 HB2 TRP 14 HB2 TRP 14 7.824 -0.698 -0.455
105 HB3 TRP 14 HB3 TRP 14 7.025 -2.221 -0.085
106 HD1 TRP 14 HD1 TRP 14 5.321 -3.183 -1.912
107 HE1 TRP 14 HE1 TRP 14 5.088 -2.751 -4.441
108 HE3 TRP 14 HE3 TRP 14 8.036 1.124 -2.246
109 HZ2 TRP 14 HZ2 TRP 14 5.920 -0.821 -6.319
110 HZ3 TRP 14 HZ3 TRP 14 8.248 2.218 -4.436
111 HH2 TRP 14 HH2 TRP 14 7.209 1.260 -6.431
112 H TYR 15 H TYR 15 5.194 0.808 -1.677
113 HA TYR 15 HA TYR 15 5.548 2.873 -2.522
114 HB2 TYR 15 HB2 TYR 15 4.349 4.659 -1.070
115 HB3 TYR 15 HB3 TYR 15 3.418 3.350 -1.779
116 HD1 TYR 15 HD1 TYR 15 2.798 1.393 -0.335
117 HD2 TYR 15 HD2 TYR 15 4.377 4.990 1.297
118 HE1 TYR 15 HE1 TYR 15 1.980 0.748 1.868
119 HE2 TYR 15 HE2 TYR 15 3.558 4.344 3.514
120 HH TYR 15 HH TYR 15 2.003 2.932 4.560
121 H ARG 16 H ARG 16 7.729 3.141 -2.570
122 HA ARG 16 HA ARG 16 8.912 4.716 -0.381
123 HB2 ARG 16 HB2 ARG 16 10.128 2.452 -1.973
124 HB3 ARG 16 HB3 ARG 16 11.062 3.528 -0.945
125 HG2 ARG 16 HG2 ARG 16 10.152 2.675 1.001
126 HG3 ARG 16 HG3 ARG 16 8.736 2.021 0.170
127 HD2 ARG 16 HD2 ARG 16 10.399 0.302 0.905
128 HD3 ARG 16 HD3 ARG 16 10.025 0.275 -0.813
129 HE ARG 16 HE ARG 16 12.173 1.513 -1.119
130 HH11 ARG 16 HH11 ARG 16 11.691 -0.394 1.779
131 HH12 ARG 16 HH12 ARG 16 13.373 -0.781 1.952
132 HH21 ARG 16 HH21 ARG 16 14.384 1.009 -0.887
133 HH22 ARG 16 HH22 ARG 16 14.902 0.019 0.442
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 -3.272 -2.025 -7.771
2 H3 PRO 1 HT2 PRO 1 -2.337 -1.276 -8.882
3 HA PRO 1 HA PRO 1 -0.641 -2.275 -8.201
4 HB2 PRO 1 HB2 PRO 1 -0.798 -1.668 -5.333
5 HB3 PRO 1 HB3 PRO 1 0.479 -1.288 -6.499
6 HG2 PRO 1 HG2 PRO 1 -1.185 0.602 -5.564
7 HG3 PRO 1 HG3 PRO 1 -0.565 0.630 -7.227
8 HD2 PRO 1 HD2 PRO 1 -3.251 -0.252 -6.216
9 HD3 PRO 1 HD3 PRO 1 -2.850 0.714 -7.646
10 H SER 2 H SER 2 0.185 -3.994 -6.546
11 HA SER 2 HA SER 2 -1.562 -6.162 -6.596
12 HB2 SER 2 HB2 SER 2 0.845 -5.718 -4.820
13 HB3 SER 2 HB3 SER 2 0.073 -7.277 -5.117
14 HG SER 2 HG SER 2 0.644 -7.125 -7.271
15 H ILE 3 H ILE 3 -0.880 -3.879 -3.982
16 HA ILE 3 HA ILE 3 -1.790 -3.523 -1.933
17 HB ILE 3 HB ILE 3 -4.266 -4.845 -3.027
18 HG12 ILE 3 HG12 ILE 3 -3.516 -1.914 -3.163
19 HG13 ILE 3 HG13 ILE 3 -3.367 -3.027 -4.519
20 HG21 ILE 3 HG21 ILE 3 -4.283 -4.461 -0.614
21 HG22 ILE 3 HG22 ILE 3 -5.436 -3.405 -1.429
22 HG23 ILE 3 HG23 ILE 3 -3.888 -2.764 -0.875
23 HD11 ILE 3 HD11 ILE 3 -5.390 -1.672 -4.658
24 HD12 ILE 3 HD12 ILE 3 -5.932 -2.323 -3.113
25 HD13 ILE 3 HD13 ILE 3 -5.767 -3.387 -4.507
26 H HCS 4 H HCS 4 -0.408 -4.967 -0.919
27 HCA HCS 4 HA HCS 4 -0.923 -7.741 -0.661
28 HB2 HCS 4 HB1 HCS 4 0.793 -5.973 1.090
29 HB3 HCS 4 HB2 HCS 4 0.894 -7.720 0.968
30 HG2 HCS 4 HG1 HCS 4 1.526 -7.499 -1.388
31 HG3 HCS 4 HG2 HCS 4 1.483 -5.753 -1.213
32 H HIS 5 H HIS 5 -1.330 -4.994 1.522
33 HA HIS 5 HA HIS 5 -3.734 -5.835 2.648
34 HB2 HIS 5 HB2 HIS 5 -3.053 -6.562 4.880
35 HB3 HIS 5 HB3 HIS 5 -2.379 -7.633 3.664
36 HD1 HIS 5 HD1 HIS 5 -1.429 -5.402 6.434
37 HD2 HIS 5 HD2 HIS 5 0.440 -7.367 3.288
38 HE1 HIS 5 HE1 HIS 5 1.022 -5.385 6.993
39 HE2 HIS 5 HE2 HIS 5 2.107 -6.750 5.171
40 H VAL 6 H VAL 6 -2.731 -3.560 1.611
41 HA VAL 6 HA VAL 6 -1.642 -1.902 3.729
42 HB VAL 6 HB VAL 6 -2.030 -0.539 1.212
43 HG11 VAL 6 HG11 VAL 6 -0.549 0.212 2.983
44 HG12 VAL 6 HG12 VAL 6 0.355 -0.093 1.501
45 HG13 VAL 6 HG13 VAL 6 0.412 -1.257 2.822
46 HG21 VAL 6 HG21 VAL 6 -0.422 -3.090 1.162
47 HG22 VAL 6 HG22 VAL 6 -0.358 -1.830 -0.072
48 HG23 VAL 6 HG23 VAL 6 -1.854 -2.726 0.202
49 H HIS 7 H HIS 7 -2.396 0.433 3.718
50 HA HIS 7 HA HIS 7 -5.134 0.586 4.363
51 HB2 HIS 7 HB2 HIS 7 -3.587 2.050 5.465
52 HB3 HIS 7 HB3 HIS 7 -3.036 2.716 3.938
53 HD1 HIS 7 HD1 HIS 7 -5.998 2.816 6.282
54 HD2 HIS 7 HD2 HIS 7 -4.466 4.840 2.982
55 HE1 HIS 7 HE1 HIS 7 -7.418 4.876 6.033
56 HE2 HIS 7 HE2 HIS 7 -6.400 6.148 4.110
57 H ARG 8 H ARG 8 -3.444 2.399 1.773
58 HA ARG 8 HA ARG 8 -5.902 3.097 0.508
59 HB2 ARG 8 HB2 ARG 8 -3.093 3.223 -0.574
60 HB3 ARG 8 HB3 ARG 8 -4.497 3.993 -1.281
61 HG2 ARG 8 HG2 ARG 8 -4.687 5.343 0.827
62 HG3 ARG 8 HG3 ARG 8 -3.104 4.678 1.278
63 HD2 ARG 8 HD2 ARG 8 -2.063 5.592 -0.615
64 HD3 ARG 8 HD3 ARG 8 -3.601 5.980 -1.361
65 HE ARG 8 HE ARG 8 -3.026 7.370 1.113
66 HH11 ARG 8 HH11 ARG 8 -2.937 7.347 -2.389
67 HH12 ARG 8 HH12 ARG 8 -2.768 9.073 -2.526
68 HH21 ARG 8 HH21 ARG 8 -2.804 9.666 0.935
69 HH22 ARG 8 HH22 ARG 8 -2.680 10.385 -0.637
70 HA PRO 9 HA PRO 9 -5.838 -0.197 -2.560
71 HB2 PRO 9 HB2 PRO 9 -7.714 0.715 -4.214
72 HB3 PRO 9 HB3 PRO 9 -8.130 0.221 -2.568
73 HG2 PRO 9 HG2 PRO 9 -7.849 2.955 -3.711
74 HG3 PRO 9 HG3 PRO 9 -8.946 2.369 -2.449
75 HD2 PRO 9 HD2 PRO 9 -6.487 3.728 -2.067
76 HD3 PRO 9 HD3 PRO 9 -7.466 2.932 -0.822
77 H ASP 10 H ASP 10 -4.788 2.975 -3.038
78 HA ASP 10 HA ASP 10 -4.161 2.585 -5.870
79 HB2 ASP 10 HB2 ASP 10 -3.695 5.024 -5.858
80 HB3 ASP 10 HB3 ASP 10 -5.338 4.641 -5.360
81 H TRP 11 H TRP 11 -2.641 2.411 -2.830
82 HA TRP 11 HA TRP 11 -0.042 2.929 -4.097
83 HB2 TRP 11 HB2 TRP 11 0.828 3.684 -2.016
84 HB3 TRP 11 HB3 TRP 11 -0.727 4.443 -2.214
85 HD1 TRP 11 HD1 TRP 11 -1.658 1.173 -1.004
86 HE1 TRP 11 HE1 TRP 11 -1.913 1.167 1.535
87 HE3 TRP 11 HE3 TRP 11 0.726 5.555 0.050
88 HZ2 TRP 11 HZ2 TRP 11 -1.202 2.820 3.727
89 HZ3 TRP 11 HZ3 TRP 11 0.898 6.273 2.394
90 HH2 TRP 11 HH2 TRP 11 -0.045 4.928 4.194
91 HA PRO 12 HA PRO 12 1.211 -1.248 -3.329
92 HB2 PRO 12 HB2 PRO 12 3.828 -1.045 -2.864
93 HB3 PRO 12 HB3 PRO 12 3.144 -0.588 -4.432
94 HG2 PRO 12 HG2 PRO 12 3.915 1.160 -2.126
95 HG3 PRO 12 HG3 PRO 12 4.271 1.370 -3.838
96 HD2 PRO 12 HD2 PRO 12 2.241 2.651 -2.579
97 HD3 PRO 12 HD3 PRO 12 2.194 2.223 -4.297
98 H CYS 13 H CYS 13 3.041 -2.413 -1.728
99 HA CYS 13 HA CYS 13 2.024 -1.876 0.962
100 HB2 CYS 13 HB2 CYS 13 2.739 -4.122 1.529
101 HB3 CYS 13 HB3 CYS 13 1.721 -4.155 0.094
102 H TRP 14 H TRP 14 4.287 -0.508 -0.554
103 HA TRP 14 HA TRP 14 6.239 -0.650 1.621
104 HB2 TRP 14 HB2 TRP 14 8.072 -0.494 -0.164
105 HB3 TRP 14 HB3 TRP 14 7.294 -2.056 0.061
106 HD1 TRP 14 HD1 TRP 14 5.727 -2.936 -1.878
107 HE1 TRP 14 HE1 TRP 14 5.561 -2.338 -4.379
108 HE3 TRP 14 HE3 TRP 14 8.264 1.485 -1.805
109 HZ2 TRP 14 HZ2 TRP 14 6.376 -0.236 -6.082
110 HZ3 TRP 14 HZ3 TRP 14 8.508 2.745 -3.895
111 HH2 TRP 14 HH2 TRP 14 7.583 1.901 -5.991
112 H TYR 15 H TYR 15 5.346 1.020 -1.365
113 HA TYR 15 HA TYR 15 5.646 3.142 -2.085
114 HB2 TYR 15 HB2 TYR 15 4.403 4.780 -0.508
115 HB3 TYR 15 HB3 TYR 15 3.521 3.484 -1.297
116 HD1 TYR 15 HD1 TYR 15 4.598 4.854 1.897
117 HD2 TYR 15 HD2 TYR 15 2.847 1.500 -0.038
118 HE1 TYR 15 HE1 TYR 15 3.808 4.026 4.064
119 HE2 TYR 15 HE2 TYR 15 2.056 0.664 2.113
120 HH TYR 15 HH TYR 15 2.190 2.579 4.996
121 H ARG 16 H ARG 16 7.796 3.481 -2.155
122 HA ARG 16 HA ARG 16 8.918 5.053 0.062
123 HB2 ARG 16 HB2 ARG 16 10.229 2.958 -1.666
124 HB3 ARG 16 HB3 ARG 16 11.140 4.076 -0.660
125 HG2 ARG 16 HG2 ARG 16 10.367 3.133 1.313
126 HG3 ARG 16 HG3 ARG 16 8.980 2.374 0.523
127 HD2 ARG 16 HD2 ARG 16 10.860 0.827 1.191
128 HD3 ARG 16 HD3 ARG 16 10.347 0.727 -0.491
129 HE ARG 16 HE ARG 16 12.388 2.489 -0.595
130 HH11 ARG 16 HH11 ARG 16 12.087 -0.686 0.839
131 HH12 ARG 16 HH12 ARG 16 13.747 -1.106 0.564
132 HH21 ARG 16 HH21 ARG 16 14.567 1.931 -0.982
133 HH22 ARG 16 HH22 ARG 16 15.159 0.379 -0.478
Start of MODEL 11
1 H2 PRO 1 HT1 PRO 1 -1.578 -1.770 -8.489
2 H3 PRO 1 HT2 PRO 1 -0.386 -1.082 -9.362
3 HA PRO 1 HA PRO 1 1.036 -2.037 -8.164
4 HB2 PRO 1 HB2 PRO 1 0.303 -1.010 -5.532
5 HB3 PRO 1 HB3 PRO 1 1.767 -0.720 -6.485
6 HG2 PRO 1 HG2 PRO 1 -0.109 1.188 -6.144
7 HG3 PRO 1 HG3 PRO 1 0.842 1.040 -7.634
8 HD2 PRO 1 HD2 PRO 1 -1.962 0.094 -7.082
9 HD3 PRO 1 HD3 PRO 1 -1.333 0.960 -8.496
10 H SER 2 H SER 2 1.453 -3.665 -6.461
11 HA SER 2 HA SER 2 -0.742 -5.487 -6.287
12 HB2 SER 2 HB2 SER 2 1.974 -5.619 -4.964
13 HB3 SER 2 HB3 SER 2 0.849 -6.960 -5.159
14 HG SER 2 HG SER 2 1.102 -6.775 -7.410
15 H ILE 3 H ILE 3 -2.360 -5.065 -4.944
16 HA ILE 3 HA ILE 3 -1.959 -3.692 -2.447
17 HB ILE 3 HB ILE 3 -4.446 -5.094 -3.431
18 HG12 ILE 3 HG12 ILE 3 -3.683 -2.177 -3.681
19 HG13 ILE 3 HG13 ILE 3 -3.639 -3.341 -5.000
20 HG21 ILE 3 HG21 ILE 3 -4.477 -4.665 -1.043
21 HG22 ILE 3 HG22 ILE 3 -5.605 -3.590 -1.871
22 HG23 ILE 3 HG23 ILE 3 -4.047 -2.976 -1.322
23 HD11 ILE 3 HD11 ILE 3 -6.098 -2.522 -3.475
24 HD12 ILE 3 HD12 ILE 3 -6.039 -3.639 -4.838
25 HD13 ILE 3 HD13 ILE 3 -5.630 -1.938 -5.069
26 H HCS 4 H HCS 4 -0.840 -4.851 -0.989
27 HCA HCS 4 HA HCS 4 -1.300 -7.658 -0.603
28 HB2 HCS 4 HB1 HCS 4 0.345 -5.752 1.065
29 HB3 HCS 4 HB2 HCS 4 0.398 -7.510 1.145
30 HG2 HCS 4 HG1 HCS 4 1.132 -7.535 -1.226
31 HG3 HCS 4 HG2 HCS 4 1.210 -5.783 -1.179
32 H HIS 5 H HIS 5 -1.838 -4.715 1.246
33 HA HIS 5 HA HIS 5 -4.424 -5.329 1.966
34 HB2 HIS 5 HB2 HIS 5 -4.225 -5.680 4.426
35 HB3 HIS 5 HB3 HIS 5 -3.610 -7.027 3.482
36 HD1 HIS 5 HD1 HIS 5 -2.698 -4.747 6.176
37 HD2 HIS 5 HD2 HIS 5 -0.723 -7.151 3.421
38 HE1 HIS 5 HE1 HIS 5 -0.349 -4.979 7.044
39 HE2 HIS 5 HE2 HIS 5 0.796 -6.535 5.425
40 H VAL 6 H VAL 6 -1.688 -3.910 3.618
41 HA VAL 6 HA VAL 6 -1.205 -1.793 4.306
42 HB VAL 6 HB VAL 6 -2.157 -0.576 1.815
43 HG11 VAL 6 HG11 VAL 6 0.135 0.172 1.692
44 HG12 VAL 6 HG12 VAL 6 0.588 -0.909 3.010
45 HG13 VAL 6 HG13 VAL 6 -0.507 0.440 3.312
46 HG21 VAL 6 HG21 VAL 6 -0.617 -1.753 0.350
47 HG22 VAL 6 HG22 VAL 6 -1.831 -2.861 0.995
48 HG23 VAL 6 HG23 VAL 6 -0.198 -2.859 1.660
49 H HIS 7 H HIS 7 -2.365 0.610 3.115
50 HA HIS 7 HA HIS 7 -4.844 0.763 4.673
51 HB2 HIS 7 HB2 HIS 7 -3.090 2.198 5.554
52 HB3 HIS 7 HB3 HIS 7 -2.823 2.896 3.968
53 HD1 HIS 7 HD1 HIS 7 -5.505 2.815 6.663
54 HD2 HIS 7 HD2 HIS 7 -4.278 5.090 3.402
55 HE1 HIS 7 HE1 HIS 7 -6.880 4.920 6.749
56 HE2 HIS 7 HE2 HIS 7 -6.239 6.195 4.674
57 H ARG 8 H ARG 8 -3.387 2.544 1.910
58 HA ARG 8 HA ARG 8 -5.971 3.143 0.846
59 HB2 ARG 8 HB2 ARG 8 -3.316 3.439 -0.552
60 HB3 ARG 8 HB3 ARG 8 -4.803 4.276 -0.927
61 HG2 ARG 8 HG2 ARG 8 -4.551 5.095 1.552
62 HG3 ARG 8 HG3 ARG 8 -2.850 4.768 1.226
63 HD2 ARG 8 HD2 ARG 8 -4.706 6.677 -0.135
64 HD3 ARG 8 HD3 ARG 8 -3.173 7.010 0.657
65 HE ARG 8 HE ARG 8 -3.090 5.356 -1.743
66 HH11 ARG 8 HH11 ARG 8 -2.670 8.495 -0.273
67 HH12 ARG 8 HH12 ARG 8 -1.736 9.137 -1.586
68 HH21 ARG 8 HH21 ARG 8 -1.923 6.217 -3.539
69 HH22 ARG 8 HH22 ARG 8 -1.317 7.845 -3.440
70 HA PRO 9 HA PRO 9 -6.215 -0.298 -1.983
71 HB2 PRO 9 HB2 PRO 9 -8.379 0.476 -3.343
72 HB3 PRO 9 HB3 PRO 9 -8.487 0.054 -1.630
73 HG2 PRO 9 HG2 PRO 9 -8.535 2.724 -2.929
74 HG3 PRO 9 HG3 PRO 9 -9.341 2.176 -1.450
75 HD2 PRO 9 HD2 PRO 9 -6.909 3.634 -1.643
76 HD3 PRO 9 HD3 PRO 9 -7.612 2.920 -0.182
77 H ASP 10 H ASP 10 -4.746 2.367 -2.596
78 HA ASP 10 HA ASP 10 -4.775 2.227 -5.536
79 HB2 ASP 10 HB2 ASP 10 -5.608 4.353 -5.054
80 HB3 ASP 10 HB3 ASP 10 -4.590 4.544 -3.631
81 H TRP 11 H TRP 11 -2.882 2.108 -2.662
82 HA TRP 11 HA TRP 11 -0.433 2.526 -4.220
83 HB2 TRP 11 HB2 TRP 11 0.574 3.530 -2.302
84 HB3 TRP 11 HB3 TRP 11 -1.033 4.212 -2.440
85 HD1 TRP 11 HD1 TRP 11 -1.689 1.046 -0.873
86 HE1 TRP 11 HE1 TRP 11 -1.766 1.267 1.663
87 HE3 TRP 11 HE3 TRP 11 0.460 5.643 -0.380
88 HZ2 TRP 11 HZ2 TRP 11 -1.019 3.129 3.645
89 HZ3 TRP 11 HZ3 TRP 11 0.737 6.579 1.872
90 HH2 TRP 11 HH2 TRP 11 0.014 5.340 3.844
91 HA PRO 12 HA PRO 12 0.980 -1.549 -3.263
92 HB2 PRO 12 HB2 PRO 12 3.632 -1.249 -2.889
93 HB3 PRO 12 HB3 PRO 12 2.879 -1.003 -4.470
94 HG2 PRO 12 HG2 PRO 12 3.702 1.023 -2.427
95 HG3 PRO 12 HG3 PRO 12 3.941 1.050 -4.171
96 HD2 PRO 12 HD2 PRO 12 1.951 2.422 -2.949
97 HD3 PRO 12 HD3 PRO 12 1.804 1.777 -4.595
98 H CYS 13 H CYS 13 2.864 -2.598 -1.663
99 HA CYS 13 HA CYS 13 1.919 -1.887 1.008
100 HB2 CYS 13 HB2 CYS 13 2.702 -4.109 1.696
101 HB3 CYS 13 HB3 CYS 13 1.541 -4.200 0.376
102 H TRP 14 H TRP 14 4.106 -0.587 -0.621
103 HA TRP 14 HA TRP 14 6.112 -0.556 1.496
104 HB2 TRP 14 HB2 TRP 14 7.932 -0.542 -0.309
105 HB3 TRP 14 HB3 TRP 14 7.173 -2.089 0.044
106 HD1 TRP 14 HD1 TRP 14 5.566 -3.107 -1.814
107 HE1 TRP 14 HE1 TRP 14 5.392 -2.702 -4.347
108 HE3 TRP 14 HE3 TRP 14 8.166 1.257 -2.085
109 HZ2 TRP 14 HZ2 TRP 14 6.242 -0.759 -6.212
110 HZ3 TRP 14 HZ3 TRP 14 8.429 2.346 -4.261
111 HH2 TRP 14 HH2 TRP 14 7.486 1.359 -6.286
112 H TYR 15 H TYR 15 5.251 0.829 -1.656
113 HA TYR 15 HA TYR 15 5.528 2.902 -2.537
114 HB2 TYR 15 HB2 TYR 15 4.258 4.655 -1.115
115 HB3 TYR 15 HB3 TYR 15 3.383 3.290 -1.785
116 HD1 TYR 15 HD1 TYR 15 2.740 1.418 -0.349
117 HD2 TYR 15 HD2 TYR 15 4.448 4.951 1.273
118 HE1 TYR 15 HE1 TYR 15 1.970 0.760 1.865
119 HE2 TYR 15 HE2 TYR 15 3.669 4.305 3.511
120 HH TYR 15 HH TYR 15 2.595 1.223 4.264
121 H ARG 16 H ARG 16 7.705 3.278 -2.573
122 HA ARG 16 HA ARG 16 8.764 4.932 -0.389
123 HB2 ARG 16 HB2 ARG 16 10.247 2.672 -1.743
124 HB3 ARG 16 HB3 ARG 16 10.851 3.695 -0.445
125 HG2 ARG 16 HG2 ARG 16 9.312 2.759 1.117
126 HG3 ARG 16 HG3 ARG 16 8.444 1.915 -0.165
127 HD2 ARG 16 HD2 ARG 16 9.919 0.423 1.129
128 HD3 ARG 16 HD3 ARG 16 10.342 0.487 -0.581
129 HE ARG 16 HE ARG 16 11.792 2.285 1.191
130 HH11 ARG 16 HH11 ARG 16 11.786 -0.751 -0.563
131 HH12 ARG 16 HH12 ARG 16 13.503 -0.974 -0.430
132 HH21 ARG 16 HH21 ARG 16 14.039 2.005 1.359
133 HH22 ARG 16 HH22 ARG 16 14.788 0.621 0.629
Start of MODEL 12
1 H2 PRO 1 HT1 PRO 1 -2.435 -2.176 -7.984
2 H3 PRO 1 HT2 PRO 1 -1.608 -1.595 -9.262
3 HA PRO 1 HA PRO 1 0.249 -2.069 -8.420
4 HB2 PRO 1 HB2 PRO 1 0.389 -1.294 -5.772
5 HB3 PRO 1 HB3 PRO 1 0.851 -0.292 -7.158
6 HG2 PRO 1 HG2 PRO 1 -1.706 -0.341 -5.621
7 HG3 PRO 1 HG3 PRO 1 -0.832 1.041 -6.310
8 HD2 PRO 1 HD2 PRO 1 -3.021 0.058 -7.494
9 HD3 PRO 1 HD3 PRO 1 -1.652 0.648 -8.449
10 H SER 2 H SER 2 1.271 -3.342 -6.487
11 HA SER 2 HA SER 2 -0.308 -5.681 -6.145
12 HB2 SER 2 HB2 SER 2 2.308 -4.956 -4.813
13 HB3 SER 2 HB3 SER 2 1.617 -6.571 -4.951
14 HG SER 2 HG SER 2 1.698 -5.774 -7.388
15 H ILE 3 H ILE 3 -2.109 -5.259 -4.933
16 HA ILE 3 HA ILE 3 -1.902 -3.881 -2.408
17 HB ILE 3 HB ILE 3 -4.229 -5.283 -3.692
18 HG12 ILE 3 HG12 ILE 3 -3.417 -3.236 -4.816
19 HG13 ILE 3 HG13 ILE 3 -5.036 -3.045 -4.167
20 HG21 ILE 3 HG21 ILE 3 -4.177 -3.595 -1.196
21 HG22 ILE 3 HG22 ILE 3 -4.473 -5.331 -1.272
22 HG23 ILE 3 HG23 ILE 3 -5.627 -4.206 -1.989
23 HD11 ILE 3 HD11 ILE 3 -3.720 -1.055 -3.792
24 HD12 ILE 3 HD12 ILE 3 -2.489 -2.002 -2.954
25 HD13 ILE 3 HD13 ILE 3 -4.099 -1.829 -2.251
26 H HCS 4 H HCS 4 -0.735 -5.004 -1.012
27 HCA HCS 4 HA HCS 4 -1.181 -7.801 -0.549
28 HB2 HCS 4 HB1 HCS 4 0.421 -5.871 1.123
29 HB3 HCS 4 HB2 HCS 4 0.537 -7.626 1.135
30 HG2 HCS 4 HG1 HCS 4 1.278 -7.545 -1.218
31 HG3 HCS 4 HG2 HCS 4 1.255 -5.793 -1.137
32 H HIS 5 H HIS 5 -1.962 -4.747 0.927
33 HA HIS 5 HA HIS 5 -4.454 -5.329 1.786
34 HB2 HIS 5 HB2 HIS 5 -4.317 -5.646 4.229
35 HB3 HIS 5 HB3 HIS 5 -3.613 -6.995 3.355
36 HD1 HIS 5 HD1 HIS 5 -2.939 -4.654 6.038
37 HD2 HIS 5 HD2 HIS 5 -0.714 -7.002 3.435
38 HE1 HIS 5 HE1 HIS 5 -0.629 -4.748 7.023
39 HE2 HIS 5 HE2 HIS 5 0.733 -6.086 5.380
40 H VAL 6 H VAL 6 -1.775 -3.888 3.520
41 HA VAL 6 HA VAL 6 -1.310 -1.784 4.217
42 HB VAL 6 HB VAL 6 -2.162 -0.496 1.743
43 HG11 VAL 6 HG11 VAL 6 0.128 0.236 1.712
44 HG12 VAL 6 HG12 VAL 6 0.559 -0.951 2.945
45 HG13 VAL 6 HG13 VAL 6 -0.515 0.389 3.347
46 HG21 VAL 6 HG21 VAL 6 -0.281 -2.842 1.543
47 HG22 VAL 6 HG22 VAL 6 -0.602 -1.659 0.275
48 HG23 VAL 6 HG23 VAL 6 -1.886 -2.737 0.822
49 H HIS 7 H HIS 7 -2.261 0.709 3.387
50 HA HIS 7 HA HIS 7 -4.852 0.853 4.725
51 HB2 HIS 7 HB2 HIS 7 -3.155 2.343 5.586
52 HB3 HIS 7 HB3 HIS 7 -2.811 2.951 3.977
53 HD1 HIS 7 HD1 HIS 7 -5.498 3.087 6.623
54 HD2 HIS 7 HD2 HIS 7 -4.278 5.103 3.204
55 HE1 HIS 7 HE1 HIS 7 -6.891 5.175 6.542
56 HE2 HIS 7 HE2 HIS 7 -5.951 6.487 4.608
57 H ARG 8 H ARG 8 -3.356 2.528 1.939
58 HA ARG 8 HA ARG 8 -5.912 3.129 0.807
59 HB2 ARG 8 HB2 ARG 8 -3.218 3.321 -0.535
60 HB3 ARG 8 HB3 ARG 8 -4.689 4.146 -1.003
61 HG2 ARG 8 HG2 ARG 8 -4.580 5.322 1.231
62 HG3 ARG 8 HG3 ARG 8 -2.943 4.659 1.364
63 HD2 ARG 8 HD2 ARG 8 -2.296 5.715 -0.690
64 HD3 ARG 8 HD3 ARG 8 -3.939 6.294 -0.945
65 HE ARG 8 HE ARG 8 -3.001 7.266 1.518
66 HH11 ARG 8 HH11 ARG 8 -2.466 7.631 -1.913
67 HH12 ARG 8 HH12 ARG 8 -1.916 9.272 -1.788
68 HH21 ARG 8 HH21 ARG 8 -2.283 9.428 1.698
69 HH22 ARG 8 HH22 ARG 8 -1.850 10.310 0.269
70 HA PRO 9 HA PRO 9 -5.959 -0.347 -2.021
71 HB2 PRO 9 HB2 PRO 9 -8.006 0.386 -3.558
72 HB3 PRO 9 HB3 PRO 9 -8.253 -0.025 -1.858
73 HG2 PRO 9 HG2 PRO 9 -8.222 2.638 -3.178
74 HG3 PRO 9 HG3 PRO 9 -9.147 2.087 -1.771
75 HD2 PRO 9 HD2 PRO 9 -6.733 3.575 -1.760
76 HD3 PRO 9 HD3 PRO 9 -7.548 2.851 -0.362
77 H ASP 10 H ASP 10 -4.959 2.752 -2.748
78 HA ASP 10 HA ASP 10 -4.591 2.228 -5.607
79 HB2 ASP 10 HB2 ASP 10 -4.231 4.651 -5.807
80 HB3 ASP 10 HB3 ASP 10 -5.786 4.287 -5.071
81 H TRP 11 H TRP 11 -2.852 2.223 -2.694
82 HA TRP 11 HA TRP 11 -0.359 2.679 -4.179
83 HB2 TRP 11 HB2 TRP 11 0.634 3.621 -2.234
84 HB3 TRP 11 HB3 TRP 11 -0.953 4.339 -2.378
85 HD1 TRP 11 HD1 TRP 11 -1.733 1.168 -0.864
86 HE1 TRP 11 HE1 TRP 11 -1.813 1.339 1.676
87 HE3 TRP 11 HE3 TRP 11 0.605 5.659 -0.293
88 HZ2 TRP 11 HZ2 TRP 11 -0.991 3.153 3.697
89 HZ3 TRP 11 HZ3 TRP 11 0.918 6.547 1.975
90 HH2 TRP 11 HH2 TRP 11 0.132 5.314 3.927
91 HA PRO 12 HA PRO 12 0.905 -1.434 -3.213
92 HB2 PRO 12 HB2 PRO 12 3.557 -1.257 -2.876
93 HB3 PRO 12 HB3 PRO 12 2.805 -0.926 -4.439
94 HG2 PRO 12 HG2 PRO 12 3.729 1.006 -2.345
95 HG3 PRO 12 HG3 PRO 12 3.969 1.066 -4.087
96 HD2 PRO 12 HD2 PRO 12 2.041 2.484 -2.812
97 HD3 PRO 12 HD3 PRO 12 1.880 1.915 -4.483
98 H CYS 13 H CYS 13 2.769 -2.551 -1.633
99 HA CYS 13 HA CYS 13 1.843 -1.865 1.042
100 HB2 CYS 13 HB2 CYS 13 2.646 -4.074 1.703
101 HB3 CYS 13 HB3 CYS 13 1.525 -4.178 0.349
102 H TRP 14 H TRP 14 4.082 -0.556 -0.584
103 HA TRP 14 HA TRP 14 6.061 -0.551 1.560
104 HB2 TRP 14 HB2 TRP 14 7.889 -0.550 -0.237
105 HB3 TRP 14 HB3 TRP 14 7.104 -2.086 0.114
106 HD1 TRP 14 HD1 TRP 14 5.497 -3.083 -1.762
107 HE1 TRP 14 HE1 TRP 14 5.341 -2.669 -4.295
108 HE3 TRP 14 HE3 TRP 14 8.115 1.268 -1.997
109 HZ2 TRP 14 HZ2 TRP 14 6.205 -0.704 -6.148
110 HZ3 TRP 14 HZ3 TRP 14 8.386 2.378 -4.162
111 HH2 TRP 14 HH2 TRP 14 7.454 1.407 -6.200
112 H TYR 15 H TYR 15 5.230 0.892 -1.576
113 HA TYR 15 HA TYR 15 5.505 2.970 -2.425
114 HB2 TYR 15 HB2 TYR 15 4.291 4.735 -0.963
115 HB3 TYR 15 HB3 TYR 15 3.378 3.390 -1.625
116 HD1 TYR 15 HD1 TYR 15 4.555 4.982 1.439
117 HD2 TYR 15 HD2 TYR 15 2.711 1.529 -0.215
118 HE1 TYR 15 HE1 TYR 15 3.806 4.311 3.683
119 HE2 TYR 15 HE2 TYR 15 1.966 0.852 2.000
120 HH TYR 15 HH TYR 15 2.592 1.220 4.355
121 H ARG 16 H ARG 16 7.672 3.299 -2.520
122 HA ARG 16 HA ARG 16 8.857 4.934 -0.390
123 HB2 ARG 16 HB2 ARG 16 10.199 2.554 -1.695
124 HB3 ARG 16 HB3 ARG 16 10.889 3.586 -0.451
125 HG2 ARG 16 HG2 ARG 16 9.369 2.782 1.186
126 HG3 ARG 16 HG3 ARG 16 8.399 1.958 -0.036
127 HD2 ARG 16 HD2 ARG 16 9.767 0.359 1.165
128 HD3 ARG 16 HD3 ARG 16 10.289 0.468 -0.518
129 HE ARG 16 HE ARG 16 11.944 2.199 0.663
130 HH11 ARG 16 HH11 ARG 16 11.016 -1.049 1.592
131 HH12 ARG 16 HH12 ARG 16 12.512 -1.368 2.414
132 HH21 ARG 16 HH21 ARG 16 13.917 1.759 1.724
133 HH22 ARG 16 HH22 ARG 16 14.156 0.217 2.487
Start of MODEL 13
1 H2 PRO 1 HT1 PRO 1 -2.146 -1.777 -8.140
2 H3 PRO 1 HT2 PRO 1 -0.990 -1.253 -9.171
3 HA PRO 1 HA PRO 1 0.374 -2.513 -8.209
4 HB2 PRO 1 HB2 PRO 1 0.373 -1.409 -5.528
5 HB3 PRO 1 HB3 PRO 1 1.624 -1.309 -6.774
6 HG2 PRO 1 HG2 PRO 1 0.123 0.823 -6.017
7 HG3 PRO 1 HG3 PRO 1 0.782 0.626 -7.653
8 HD2 PRO 1 HD2 PRO 1 -1.995 0.055 -6.649
9 HD3 PRO 1 HD3 PRO 1 -1.492 0.873 -8.140
10 H SER 2 H SER 2 0.729 -4.243 -6.701
11 HA SER 2 HA SER 2 -1.642 -5.624 -6.053
12 HB2 SER 2 HB2 SER 2 1.180 -6.194 -5.123
13 HB3 SER 2 HB3 SER 2 -0.167 -7.332 -5.146
14 HG SER 2 HG SER 2 -0.219 -7.067 -7.442
15 H ILE 3 H ILE 3 -2.949 -4.954 -4.495
16 HA ILE 3 HA ILE 3 -2.042 -3.677 -2.092
17 HB ILE 3 HB ILE 3 -4.757 -4.879 -2.630
18 HG12 ILE 3 HG12 ILE 3 -3.898 -2.011 -3.057
19 HG13 ILE 3 HG13 ILE 3 -4.023 -3.191 -4.358
20 HG21 ILE 3 HG21 ILE 3 -5.529 -3.281 -0.938
21 HG22 ILE 3 HG22 ILE 3 -3.871 -2.734 -0.701
22 HG23 ILE 3 HG23 ILE 3 -4.320 -4.385 -0.278
23 HD11 ILE 3 HD11 ILE 3 -6.401 -3.423 -3.941
24 HD12 ILE 3 HD12 ILE 3 -5.978 -1.740 -4.238
25 HD13 ILE 3 HD13 ILE 3 -6.288 -2.292 -2.594
26 H HCS 4 H HCS 4 -0.682 -5.048 -1.049
27 HCA HCS 4 HA HCS 4 -1.223 -7.793 -0.574
28 HB2 HCS 4 HB1 HCS 4 0.661 -6.000 0.961
29 HB3 HCS 4 HB2 HCS 4 0.723 -7.752 0.859
30 HG2 HCS 4 HG1 HCS 4 1.194 -7.561 -1.553
31 HG3 HCS 4 HG2 HCS 4 1.212 -5.811 -1.388
32 H HIS 5 H HIS 5 -1.293 -4.948 1.518
33 HA HIS 5 HA HIS 5 -3.606 -5.604 2.924
34 HB2 HIS 5 HB2 HIS 5 -2.684 -6.285 5.115
35 HB3 HIS 5 HB3 HIS 5 -2.346 -7.464 3.861
36 HD1 HIS 5 HD1 HIS 5 -0.727 -5.440 6.430
37 HD2 HIS 5 HD2 HIS 5 0.400 -7.438 2.971
38 HE1 HIS 5 HE1 HIS 5 1.766 -5.717 6.591
39 HE2 HIS 5 HE2 HIS 5 2.444 -6.841 4.439
40 H VAL 6 H VAL 6 -2.734 -3.401 1.759
41 HA VAL 6 HA VAL 6 -1.360 -1.718 3.716
42 HB VAL 6 HB VAL 6 -1.913 -0.428 1.182
43 HG11 VAL 6 HG11 VAL 6 -0.275 0.372 2.781
44 HG12 VAL 6 HG12 VAL 6 0.505 -0.037 1.254
45 HG13 VAL 6 HG13 VAL 6 0.638 -1.130 2.630
46 HG21 VAL 6 HG21 VAL 6 -0.350 -3.001 1.108
47 HG22 VAL 6 HG22 VAL 6 -0.372 -1.789 -0.174
48 HG23 VAL 6 HG23 VAL 6 -1.849 -2.655 0.250
49 H HIS 7 H HIS 7 -2.043 0.644 3.671
50 HA HIS 7 HA HIS 7 -4.711 0.920 4.533
51 HB2 HIS 7 HB2 HIS 7 -2.995 2.361 5.412
52 HB3 HIS 7 HB3 HIS 7 -2.606 2.957 3.808
53 HD1 HIS 7 HD1 HIS 7 -5.266 3.244 6.477
54 HD2 HIS 7 HD2 HIS 7 -4.076 5.103 2.950
55 HE1 HIS 7 HE1 HIS 7 -6.650 5.339 6.319
56 HE2 HIS 7 HE2 HIS 7 -5.957 6.421 4.151
57 H ARG 8 H ARG 8 -3.207 2.610 1.741
58 HA ARG 8 HA ARG 8 -5.749 3.292 0.651
59 HB2 ARG 8 HB2 ARG 8 -3.070 3.303 -0.736
60 HB3 ARG 8 HB3 ARG 8 -4.508 4.145 -1.261
61 HG2 ARG 8 HG2 ARG 8 -4.368 5.526 0.816
62 HG3 ARG 8 HG3 ARG 8 -2.801 4.753 1.128
63 HD2 ARG 8 HD2 ARG 8 -1.949 5.529 -0.982
64 HD3 ARG 8 HD3 ARG 8 -3.517 6.211 -1.397
65 HE ARG 8 HE ARG 8 -2.461 7.311 1.016
66 HH11 ARG 8 HH11 ARG 8 -2.337 7.511 -2.478
67 HH12 ARG 8 HH12 ARG 8 -1.732 9.133 -2.493
68 HH21 ARG 8 HH21 ARG 8 -1.658 9.454 0.997
69 HH22 ARG 8 HH22 ARG 8 -1.348 10.236 -0.519
70 HA PRO 9 HA PRO 9 -6.002 -0.186 -2.214
71 HB2 PRO 9 HB2 PRO 9 -8.095 0.634 -3.653
72 HB3 PRO 9 HB3 PRO 9 -8.289 0.181 -1.957
73 HG2 PRO 9 HG2 PRO 9 -8.277 2.869 -3.205
74 HG3 PRO 9 HG3 PRO 9 -9.109 2.309 -1.747
75 HD2 PRO 9 HD2 PRO 9 -6.633 3.728 -1.905
76 HD3 PRO 9 HD3 PRO 9 -7.407 3.075 -0.455
77 H ASP 10 H ASP 10 -4.724 2.710 -2.749
78 HA ASP 10 HA ASP 10 -4.639 2.569 -5.676
79 HB2 ASP 10 HB2 ASP 10 -5.559 4.642 -4.886
80 HB3 ASP 10 HB3 ASP 10 -4.243 4.855 -3.739
81 H TRP 11 H TRP 11 -2.732 2.320 -2.827
82 HA TRP 11 HA TRP 11 -0.282 2.703 -4.394
83 HB2 TRP 11 HB2 TRP 11 0.798 3.573 -2.448
84 HB3 TRP 11 HB3 TRP 11 -0.760 4.358 -2.565
85 HD1 TRP 11 HD1 TRP 11 -1.619 1.181 -1.091
86 HE1 TRP 11 HE1 TRP 11 -1.684 1.332 1.456
87 HE3 TRP 11 HE3 TRP 11 0.861 5.603 -0.478
88 HZ2 TRP 11 HZ2 TRP 11 -0.804 3.083 3.471
89 HZ3 TRP 11 HZ3 TRP 11 1.212 6.438 1.809
90 HH2 TRP 11 HH2 TRP 11 0.390 5.194 3.735
91 HA PRO 12 HA PRO 12 0.967 -1.438 -3.493
92 HB2 PRO 12 HB2 PRO 12 3.625 -1.269 -3.241
93 HB3 PRO 12 HB3 PRO 12 2.829 -0.914 -4.778
94 HG2 PRO 12 HG2 PRO 12 3.816 0.980 -2.682
95 HG3 PRO 12 HG3 PRO 12 4.017 1.067 -4.424
96 HD2 PRO 12 HD2 PRO 12 2.128 2.469 -3.086
97 HD3 PRO 12 HD3 PRO 12 1.915 1.926 -4.760
98 H CYS 13 H CYS 13 2.718 -2.660 -1.973
99 HA CYS 13 HA CYS 13 1.918 -1.960 0.739
100 HB2 CYS 13 HB2 CYS 13 2.725 -4.178 1.350
101 HB3 CYS 13 HB3 CYS 13 1.578 -4.269 0.019
102 H TRP 14 H TRP 14 4.141 -0.760 -1.022
103 HA TRP 14 HA TRP 14 6.129 -0.701 1.118
104 HB2 TRP 14 HB2 TRP 14 7.908 -0.627 -0.726
105 HB3 TRP 14 HB3 TRP 14 7.177 -2.183 -0.359
106 HD1 TRP 14 HD1 TRP 14 5.492 -3.190 -2.182
107 HE1 TRP 14 HE1 TRP 14 5.293 -2.799 -4.714
108 HE3 TRP 14 HE3 TRP 14 8.158 1.133 -2.504
109 HZ2 TRP 14 HZ2 TRP 14 6.152 -0.865 -6.604
110 HZ3 TRP 14 HZ3 TRP 14 8.421 2.207 -4.696
111 HH2 TRP 14 HH2 TRP 14 7.431 1.226 -6.703
112 H TYR 15 H TYR 15 5.312 0.741 -2.013
113 HA TYR 15 HA TYR 15 5.490 2.777 -2.902
114 HB2 TYR 15 HB2 TYR 15 4.570 4.683 -1.360
115 HB3 TYR 15 HB3 TYR 15 3.515 3.441 -1.996
116 HD1 TYR 15 HD1 TYR 15 4.765 5.021 0.998
117 HD2 TYR 15 HD2 TYR 15 2.877 1.526 -0.523
118 HE1 TYR 15 HE1 TYR 15 4.013 4.446 3.266
119 HE2 TYR 15 HE2 TYR 15 2.132 0.945 1.724
120 HH TYR 15 HH TYR 15 2.917 1.444 4.136
121 H ARG 16 H ARG 16 6.528 3.668 0.409
122 HA ARG 16 HA ARG 16 8.493 4.515 1.177
123 HB2 ARG 16 HB2 ARG 16 9.590 3.227 -1.328
124 HB3 ARG 16 HB3 ARG 16 10.553 3.770 0.039
125 HG2 ARG 16 HG2 ARG 16 9.671 2.106 1.450
126 HG3 ARG 16 HG3 ARG 16 8.371 1.732 0.321
127 HD2 ARG 16 HD2 ARG 16 9.964 0.829 -1.258
128 HD3 ARG 16 HD3 ARG 16 11.306 1.263 -0.198
129 HE ARG 16 HE ARG 16 9.551 -0.374 1.229
130 HH11 ARG 16 HH11 ARG 16 11.729 -0.602 -1.508
131 HH12 ARG 16 HH12 ARG 16 12.037 -2.296 -1.280
132 HH21 ARG 16 HH21 ARG 16 9.948 -2.591 1.522
133 HH22 ARG 16 HH22 ARG 16 11.039 -3.424 0.461
Start of MODEL 14
1 H2 PRO 1 HT1 PRO 1 -3.362 -2.077 -7.623
2 H3 PRO 1 HT2 PRO 1 -2.442 -1.217 -8.661
3 HA PRO 1 HA PRO 1 -0.848 -2.503 -8.269
4 HB2 PRO 1 HB2 PRO 1 -0.473 -2.094 -5.415
5 HB3 PRO 1 HB3 PRO 1 0.549 -1.574 -6.763
6 HG2 PRO 1 HG2 PRO 1 -0.933 0.155 -5.284
7 HG3 PRO 1 HG3 PRO 1 -0.537 0.425 -6.990
8 HD2 PRO 1 HD2 PRO 1 -3.070 -0.623 -5.774
9 HD3 PRO 1 HD3 PRO 1 -2.862 0.560 -7.076
10 H SER 2 H SER 2 0.044 -4.200 -6.460
11 HA SER 2 HA SER 2 -1.742 -6.338 -6.570
12 HB2 SER 2 HB2 SER 2 0.617 -6.027 -4.700
13 HB3 SER 2 HB3 SER 2 -0.111 -7.539 -5.234
14 HG SER 2 HG SER 2 1.059 -7.438 -6.961
15 H ILE 3 H ILE 3 -1.105 -4.007 -4.020
16 HA ILE 3 HA ILE 3 -1.992 -3.645 -1.963
17 HB ILE 3 HB ILE 3 -4.427 -5.099 -2.983
18 HG12 ILE 3 HG12 ILE 3 -3.789 -2.150 -3.179
19 HG13 ILE 3 HG13 ILE 3 -3.712 -3.278 -4.529
20 HG21 ILE 3 HG21 ILE 3 -4.377 -4.681 -0.569
21 HG22 ILE 3 HG22 ILE 3 -5.641 -3.749 -1.374
22 HG23 ILE 3 HG23 ILE 3 -4.141 -2.960 -0.882
23 HD11 ILE 3 HD11 ILE 3 -6.184 -2.611 -2.947
24 HD12 ILE 3 HD12 ILE 3 -6.099 -3.695 -4.333
25 HD13 ILE 3 HD13 ILE 3 -5.777 -1.972 -4.538
26 H HCS 4 H HCS 4 -0.470 -5.037 -1.043
27 HCA HCS 4 HA HCS 4 -0.926 -7.813 -0.650
28 HB2 HCS 4 HB1 HCS 4 0.919 -5.987 0.898
29 HB3 HCS 4 HB2 HCS 4 1.037 -7.735 0.782
30 HG2 HCS 4 HG1 HCS 4 1.484 -7.523 -1.620
31 HG3 HCS 4 HG2 HCS 4 1.391 -5.778 -1.473
32 H HIS 5 H HIS 5 -1.218 -4.979 1.404
33 HA HIS 5 HA HIS 5 -3.401 -5.800 2.900
34 HB2 HIS 5 HB2 HIS 5 -2.294 -6.259 5.101
35 HB3 HIS 5 HB3 HIS 5 -2.067 -7.527 3.908
36 HD1 HIS 5 HD1 HIS 5 -0.210 -4.914 5.841
37 HD2 HIS 5 HD2 HIS 5 0.586 -7.906 3.071
38 HE1 HIS 5 HE1 HIS 5 2.286 -5.213 5.863
39 HE2 HIS 5 HE2 HIS 5 2.716 -7.153 4.320
40 H VAL 6 H VAL 6 -2.792 -3.543 1.694
41 HA VAL 6 HA VAL 6 -1.504 -1.765 3.627
42 HB VAL 6 HB VAL 6 -2.033 -0.450 1.149
43 HG11 VAL 6 HG11 VAL 6 0.402 -0.144 1.201
44 HG12 VAL 6 HG12 VAL 6 0.511 -1.300 2.532
45 HG13 VAL 6 HG13 VAL 6 -0.353 0.226 2.751
46 HG21 VAL 6 HG21 VAL 6 -2.054 -2.634 0.116
47 HG22 VAL 6 HG22 VAL 6 -0.546 -3.063 0.929
48 HG23 VAL 6 HG23 VAL 6 -0.558 -1.792 -0.300
49 H HIS 7 H HIS 7 -2.350 0.530 3.580
50 HA HIS 7 HA HIS 7 -5.104 0.554 4.290
51 HB2 HIS 7 HB2 HIS 7 -3.588 1.998 5.461
52 HB3 HIS 7 HB3 HIS 7 -3.064 2.748 3.964
53 HD1 HIS 7 HD1 HIS 7 -6.104 2.611 6.225
54 HD2 HIS 7 HD2 HIS 7 -4.450 4.944 3.207
55 HE1 HIS 7 HE1 HIS 7 -7.500 4.699 6.149
56 HE2 HIS 7 HE2 HIS 7 -6.579 6.029 4.220
57 H ARG 8 H ARG 8 -3.431 2.503 1.763
58 HA ARG 8 HA ARG 8 -5.934 3.113 0.502
59 HB2 ARG 8 HB2 ARG 8 -3.176 3.524 -0.661
60 HB3 ARG 8 HB3 ARG 8 -4.649 4.362 -1.101
61 HG2 ARG 8 HG2 ARG 8 -4.658 5.300 1.249
62 HG3 ARG 8 HG3 ARG 8 -3.021 4.649 1.387
63 HD2 ARG 8 HD2 ARG 8 -2.287 5.954 -0.491
64 HD3 ARG 8 HD3 ARG 8 -3.928 6.536 -0.761
65 HE ARG 8 HE ARG 8 -3.455 7.367 1.742
66 HH11 ARG 8 HH11 ARG 8 -1.560 7.629 -1.190
67 HH12 ARG 8 HH12 ARG 8 -0.778 9.103 -0.711
68 HH21 ARG 8 HH21 ARG 8 -2.452 9.332 2.360
69 HH22 ARG 8 HH22 ARG 8 -1.306 10.080 1.294
70 HA PRO 9 HA PRO 9 -5.729 -0.213 -2.467
71 HB2 PRO 9 HB2 PRO 9 -7.702 0.554 -4.097
72 HB3 PRO 9 HB3 PRO 9 -8.033 0.068 -2.427
73 HG2 PRO 9 HG2 PRO 9 -7.968 2.781 -3.636
74 HG3 PRO 9 HG3 PRO 9 -8.967 2.166 -2.309
75 HD2 PRO 9 HD2 PRO 9 -6.584 3.686 -2.097
76 HD3 PRO 9 HD3 PRO 9 -7.452 2.888 -0.776
77 H ASP 10 H ASP 10 -4.774 2.931 -3.047
78 HA ASP 10 HA ASP 10 -4.264 2.548 -5.905
79 HB2 ASP 10 HB2 ASP 10 -4.189 5.027 -4.176
80 HB3 ASP 10 HB3 ASP 10 -3.789 5.001 -5.888
81 H TRP 11 H TRP 11 -2.686 2.586 -2.865
82 HA TRP 11 HA TRP 11 -0.110 3.096 -4.164
83 HB2 TRP 11 HB2 TRP 11 0.757 3.848 -2.075
84 HB3 TRP 11 HB3 TRP 11 -0.828 4.568 -2.246
85 HD1 TRP 11 HD1 TRP 11 -1.702 1.281 -1.106
86 HE1 TRP 11 HE1 TRP 11 -1.946 1.210 1.441
87 HE3 TRP 11 HE3 TRP 11 0.659 5.657 0.067
88 HZ2 TRP 11 HZ2 TRP 11 -1.246 2.808 3.674
89 HZ3 TRP 11 HZ3 TRP 11 0.822 6.314 2.428
90 HH2 TRP 11 HH2 TRP 11 -0.108 4.911 4.186
91 HA PRO 12 HA PRO 12 1.161 -1.068 -3.522
92 HB2 PRO 12 HB2 PRO 12 3.790 -0.892 -3.110
93 HB3 PRO 12 HB3 PRO 12 3.075 -0.369 -4.640
94 HG2 PRO 12 HG2 PRO 12 3.896 1.282 -2.279
95 HG3 PRO 12 HG3 PRO 12 4.213 1.564 -3.990
96 HD2 PRO 12 HD2 PRO 12 2.203 2.786 -2.628
97 HD3 PRO 12 HD3 PRO 12 2.129 2.445 -4.368
98 H CYS 13 H CYS 13 2.935 -2.339 -1.973
99 HA CYS 13 HA CYS 13 1.935 -1.883 0.738
100 HB2 CYS 13 HB2 CYS 13 2.698 -4.160 1.202
101 HB3 CYS 13 HB3 CYS 13 1.635 -4.118 -0.202
102 H TRP 14 H TRP 14 4.193 -0.432 -0.696
103 HA TRP 14 HA TRP 14 6.148 -0.695 1.456
104 HB2 TRP 14 HB2 TRP 14 7.983 -0.458 -0.317
105 HB3 TRP 14 HB3 TRP 14 7.210 -2.028 -0.148
106 HD1 TRP 14 HD1 TRP 14 5.612 -2.829 -2.134
107 HE1 TRP 14 HE1 TRP 14 5.488 -2.152 -4.609
108 HE3 TRP 14 HE3 TRP 14 8.219 1.544 -1.896
109 HZ2 TRP 14 HZ2 TRP 14 6.349 -0.020 -6.244
110 HZ3 TRP 14 HZ3 TRP 14 8.509 2.858 -3.948
111 HH2 TRP 14 HH2 TRP 14 7.595 2.089 -6.081
112 H TYR 15 H TYR 15 5.397 1.122 -1.485
113 HA TYR 15 HA TYR 15 5.776 3.279 -2.066
114 HB2 TYR 15 HB2 TYR 15 4.390 4.854 -0.569
115 HB3 TYR 15 HB3 TYR 15 3.570 3.538 -1.394
116 HD1 TYR 15 HD1 TYR 15 4.469 4.920 1.855
117 HD2 TYR 15 HD2 TYR 15 2.891 1.539 -0.175
118 HE1 TYR 15 HE1 TYR 15 3.609 4.051 3.985
119 HE2 TYR 15 HE2 TYR 15 2.031 0.668 1.926
120 HH TYR 15 HH TYR 15 2.429 0.862 4.312
121 H ARG 16 H ARG 16 7.963 3.562 -1.897
122 HA ARG 16 HA ARG 16 8.926 4.715 0.638
123 HB2 ARG 16 HB2 ARG 16 10.403 3.045 -1.402
124 HB3 ARG 16 HB3 ARG 16 11.152 3.813 -0.005
125 HG2 ARG 16 HG2 ARG 16 10.145 2.388 1.494
126 HG3 ARG 16 HG3 ARG 16 8.829 1.976 0.386
127 HD2 ARG 16 HD2 ARG 16 10.353 0.703 -0.994
128 HD3 ARG 16 HD3 ARG 16 11.717 1.182 0.013
129 HE ARG 16 HE ARG 16 10.164 -0.037 1.801
130 HH11 ARG 16 HH11 ARG 16 11.068 -0.994 -1.446
131 HH12 ARG 16 HH12 ARG 16 11.024 -2.691 -1.091
132 HH21 ARG 16 HH21 ARG 16 10.090 -2.262 2.266
133 HH22 ARG 16 HH22 ARG 16 10.458 -3.415 1.020
Start of MODEL 15
1 H2 PRO 1 HT1 PRO 1 -1.878 -2.527 -8.438
2 H3 PRO 1 HT2 PRO 1 -0.707 -1.870 -9.367
3 HA PRO 1 HA PRO 1 0.625 -1.590 -7.762
4 HB2 PRO 1 HB2 PRO 1 -0.782 -0.854 -5.455
5 HB3 PRO 1 HB3 PRO 1 0.083 0.234 -6.551
6 HG2 PRO 1 HG2 PRO 1 -2.811 -0.464 -6.471
7 HG3 PRO 1 HG3 PRO 1 -2.036 1.075 -6.891
8 HD2 PRO 1 HD2 PRO 1 -3.050 -0.490 -8.796
9 HD3 PRO 1 HD3 PRO 1 -1.522 0.369 -9.053
10 H SER 2 H SER 2 1.232 -2.671 -5.695
11 HA SER 2 HA SER 2 -0.021 -5.272 -5.602
12 HB2 SER 2 HB2 SER 2 1.900 -5.700 -3.940
13 HB3 SER 2 HB3 SER 2 2.334 -5.382 -5.621
14 HG SER 2 HG SER 2 3.624 -4.171 -4.196
15 H ILE 3 H ILE 3 -1.980 -5.004 -4.583
16 HA ILE 3 HA ILE 3 -2.084 -3.755 -1.960
17 HB ILE 3 HB ILE 3 -4.320 -5.258 -3.304
18 HG12 ILE 3 HG12 ILE 3 -3.660 -2.313 -3.542
19 HG13 ILE 3 HG13 ILE 3 -3.455 -3.504 -4.823
20 HG21 ILE 3 HG21 ILE 3 -5.743 -3.812 -1.920
21 HG22 ILE 3 HG22 ILE 3 -4.303 -3.070 -1.230
22 HG23 ILE 3 HG23 ILE 3 -4.641 -4.774 -0.938
23 HD11 ILE 3 HD11 ILE 3 -6.070 -2.694 -3.572
24 HD12 ILE 3 HD12 ILE 3 -5.865 -3.890 -4.851
25 HD13 ILE 3 HD13 ILE 3 -5.472 -2.197 -5.155
26 H HCS 4 H HCS 4 -0.635 -5.156 -0.950
27 HCA HCS 4 HA HCS 4 -1.222 -7.971 -0.676
28 HB2 HCS 4 HB1 HCS 4 0.752 -6.330 0.915
29 HB3 HCS 4 HB2 HCS 4 0.782 -8.062 0.648
30 HG2 HCS 4 HG1 HCS 4 1.278 -7.724 -1.687
31 HG3 HCS 4 HG2 HCS 4 1.159 -5.981 -1.485
32 H HIS 5 H HIS 5 -1.330 -5.086 1.287
33 HA HIS 5 HA HIS 5 -3.487 -5.625 2.863
34 HB2 HIS 5 HB2 HIS 5 -2.578 -6.355 5.023
35 HB3 HIS 5 HB3 HIS 5 -2.274 -7.556 3.785
36 HD1 HIS 5 HD1 HIS 5 -0.600 -5.604 6.365
37 HD2 HIS 5 HD2 HIS 5 0.484 -7.609 2.897
38 HE1 HIS 5 HE1 HIS 5 1.896 -5.874 6.500
39 HE2 HIS 5 HE2 HIS 5 2.548 -6.977 4.330
40 H VAL 6 H VAL 6 -3.493 -3.448 2.184
41 HA VAL 6 HA VAL 6 -1.694 -1.724 3.731
42 HB VAL 6 HB VAL 6 -2.334 -0.430 1.276
43 HG11 VAL 6 HG11 VAL 6 0.245 -1.406 2.499
44 HG12 VAL 6 HG12 VAL 6 -0.505 0.176 2.742
45 HG13 VAL 6 HG13 VAL 6 0.126 -0.273 1.155
46 HG21 VAL 6 HG21 VAL 6 -2.536 -2.663 0.319
47 HG22 VAL 6 HG22 VAL 6 -0.956 -3.088 0.974
48 HG23 VAL 6 HG23 VAL 6 -1.087 -1.848 -0.274
49 H HIS 7 H HIS 7 -2.444 0.612 3.705
50 HA HIS 7 HA HIS 7 -5.162 0.772 4.541
51 HB2 HIS 7 HB2 HIS 7 -3.542 2.156 5.638
52 HB3 HIS 7 HB3 HIS 7 -3.026 2.864 4.115
53 HD1 HIS 7 HD1 HIS 7 -5.991 2.888 6.471
54 HD2 HIS 7 HD2 HIS 7 -4.337 5.118 3.385
55 HE1 HIS 7 HE1 HIS 7 -7.329 5.013 6.388
56 HE2 HIS 7 HE2 HIS 7 -6.162 6.437 4.667
57 H ARG 8 H ARG 8 -3.480 2.539 1.906
58 HA ARG 8 HA ARG 8 -5.991 3.235 0.711
59 HB2 ARG 8 HB2 ARG 8 -3.273 3.510 -0.555
60 HB3 ARG 8 HB3 ARG 8 -4.717 4.418 -0.930
61 HG2 ARG 8 HG2 ARG 8 -4.558 5.203 1.524
62 HG3 ARG 8 HG3 ARG 8 -2.882 4.672 1.388
63 HD2 ARG 8 HD2 ARG 8 -4.278 6.693 -0.337
64 HD3 ARG 8 HD3 ARG 8 -3.067 7.025 0.888
65 HE ARG 8 HE ARG 8 -1.721 5.403 -0.758
66 HH11 ARG 8 HH11 ARG 8 -3.733 8.189 -1.391
67 HH12 ARG 8 HH12 ARG 8 -2.822 8.699 -2.778
68 HH21 ARG 8 HH21 ARG 8 -0.488 6.093 -2.590
69 HH22 ARG 8 HH22 ARG 8 -0.976 7.522 -3.441
70 HA PRO 9 HA PRO 9 -6.020 -0.148 -2.215
71 HB2 PRO 9 HB2 PRO 9 -8.131 0.637 -3.663
72 HB3 PRO 9 HB3 PRO 9 -8.316 0.116 -1.986
73 HG2 PRO 9 HG2 PRO 9 -8.446 2.832 -3.142
74 HG3 PRO 9 HG3 PRO 9 -9.210 2.192 -1.679
75 HD2 PRO 9 HD2 PRO 9 -6.805 3.734 -1.875
76 HD3 PRO 9 HD3 PRO 9 -7.533 3.046 -0.415
77 H ASP 10 H ASP 10 -4.865 2.821 -2.758
78 HA ASP 10 HA ASP 10 -4.696 2.603 -5.683
79 HB2 ASP 10 HB2 ASP 10 -5.751 4.658 -4.792
80 HB3 ASP 10 HB3 ASP 10 -4.272 5.019 -3.911
81 H TRP 11 H TRP 11 -2.906 2.445 -2.788
82 HA TRP 11 HA TRP 11 -0.405 2.856 -4.255
83 HB2 TRP 11 HB2 TRP 11 0.613 3.596 -2.223
84 HB3 TRP 11 HB3 TRP 11 -0.937 4.404 -2.351
85 HD1 TRP 11 HD1 TRP 11 -1.827 1.135 -1.091
86 HE1 TRP 11 HE1 TRP 11 -2.013 1.150 1.453
87 HE3 TRP 11 HE3 TRP 11 0.550 5.554 -0.122
88 HZ2 TRP 11 HZ2 TRP 11 -1.252 2.800 3.613
89 HZ3 TRP 11 HZ3 TRP 11 0.771 6.280 2.215
90 HH2 TRP 11 HH2 TRP 11 -0.104 4.920 4.041
91 HA PRO 12 HA PRO 12 0.763 -1.353 -3.499
92 HB2 PRO 12 HB2 PRO 12 3.410 -1.254 -3.191
93 HB3 PRO 12 HB3 PRO 12 2.660 -0.773 -4.717
94 HG2 PRO 12 HG2 PRO 12 3.618 0.946 -2.460
95 HG3 PRO 12 HG3 PRO 12 3.891 1.149 -4.188
96 HD2 PRO 12 HD2 PRO 12 1.978 2.500 -2.816
97 HD3 PRO 12 HD3 PRO 12 1.826 2.088 -4.532
98 H CYS 13 H CYS 13 2.541 -2.617 -1.983
99 HA CYS 13 HA CYS 13 1.616 -2.103 0.733
100 HB2 CYS 13 HB2 CYS 13 2.459 -4.338 1.237
101 HB3 CYS 13 HB3 CYS 13 1.376 -4.367 -0.153
102 H TRP 14 H TRP 14 3.918 -0.724 -0.832
103 HA TRP 14 HA TRP 14 5.884 -0.914 1.325
104 HB2 TRP 14 HB2 TRP 14 7.715 -0.855 -0.458
105 HB3 TRP 14 HB3 TRP 14 6.863 -2.378 -0.245
106 HD1 TRP 14 HD1 TRP 14 5.244 -3.158 -2.190
107 HE1 TRP 14 HE1 TRP 14 5.104 -2.534 -4.679
108 HE3 TRP 14 HE3 TRP 14 8.043 1.101 -2.093
109 HZ2 TRP 14 HZ2 TRP 14 6.044 -0.480 -6.373
110 HZ3 TRP 14 HZ3 TRP 14 8.362 2.350 -4.178
111 HH2 TRP 14 HH2 TRP 14 7.386 1.571 -6.281
112 H TYR 15 H TYR 15 5.067 0.766 -1.678
113 HA TYR 15 HA TYR 15 5.491 2.875 -2.398
114 HB2 TYR 15 HB2 TYR 15 4.279 4.583 -0.881
115 HB3 TYR 15 HB3 TYR 15 3.356 3.300 -1.642
116 HD1 TYR 15 HD1 TYR 15 4.368 4.754 1.533
117 HD2 TYR 15 HD2 TYR 15 2.667 1.330 -0.325
118 HE1 TYR 15 HE1 TYR 15 3.508 4.004 3.711
119 HE2 TYR 15 HE2 TYR 15 1.811 0.577 1.830
120 HH TYR 15 HH TYR 15 2.207 0.862 4.191
121 H ARG 16 H ARG 16 7.643 3.140 -2.449
122 HA ARG 16 HA ARG 16 8.862 4.595 -0.200
123 HB2 ARG 16 HB2 ARG 16 10.039 2.296 -1.771
124 HB3 ARG 16 HB3 ARG 16 10.963 3.310 -0.672
125 HG2 ARG 16 HG2 ARG 16 9.784 2.518 1.213
126 HG3 ARG 16 HG3 ARG 16 8.533 1.776 0.208
127 HD2 ARG 16 HD2 ARG 16 10.166 0.146 1.161
128 HD3 ARG 16 HD3 ARG 16 10.061 0.125 -0.600
129 HE ARG 16 HE ARG 16 12.112 1.865 0.039
130 HH11 ARG 16 HH11 ARG 16 11.431 -1.536 0.574
131 HH12 ARG 16 HH12 ARG 16 13.101 -1.995 0.520
132 HH21 ARG 16 HH21 ARG 16 14.284 1.256 -0.055
133 HH22 ARG 16 HH22 ARG 16 14.728 -0.411 0.143
Start of MODEL 16
1 H2 PRO 1 HT1 PRO 1 -2.656 -1.373 -8.223
2 H3 PRO 1 HT2 PRO 1 -1.517 -0.883 -9.279
3 HA PRO 1 HA PRO 1 -0.200 -2.288 -8.476
4 HB2 PRO 1 HB2 PRO 1 -0.060 -1.405 -5.705
5 HB3 PRO 1 HB3 PRO 1 1.180 -1.333 -6.967
6 HG2 PRO 1 HG2 PRO 1 -0.095 0.869 -6.042
7 HG3 PRO 1 HG3 PRO 1 0.498 0.725 -7.707
8 HD2 PRO 1 HD2 PRO 1 -2.292 0.355 -6.650
9 HD3 PRO 1 HD3 PRO 1 -1.750 1.209 -8.105
10 H SER 2 H SER 2 0.216 -3.843 -6.460
11 HA SER 2 HA SER 2 -2.308 -5.225 -6.068
12 HB2 SER 2 HB2 SER 2 0.527 -6.039 -5.405
13 HB3 SER 2 HB3 SER 2 -0.892 -7.070 -5.224
14 HG SER 2 HG SER 2 -0.355 -7.614 -7.196
15 H ILE 3 H ILE 3 -3.365 -5.381 -4.199
16 HA ILE 3 HA ILE 3 -2.365 -3.885 -1.917
17 HB ILE 3 HB ILE 3 -4.998 -5.330 -2.180
18 HG12 ILE 3 HG12 ILE 3 -4.430 -2.396 -2.671
19 HG13 ILE 3 HG13 ILE 3 -4.658 -3.588 -3.949
20 HG21 ILE 3 HG21 ILE 3 -5.711 -3.836 -0.379
21 HG22 ILE 3 HG22 ILE 3 -4.088 -3.142 -0.319
22 HG23 ILE 3 HG23 ILE 3 -4.340 -4.837 0.103
23 HD11 ILE 3 HD11 ILE 3 -6.934 -3.993 -3.167
24 HD12 ILE 3 HD12 ILE 3 -6.679 -2.296 -3.577
25 HD13 ILE 3 HD13 ILE 3 -6.709 -2.801 -1.886
26 H HCS 4 H HCS 4 -0.881 -5.051 -0.816
27 HCA HCS 4 HA HCS 4 -1.199 -7.865 -0.329
28 HB2 HCS 4 HB1 HCS 4 0.703 -5.934 1.012
29 HB3 HCS 4 HB2 HCS 4 0.813 -7.687 1.028
30 HG2 HCS 4 HG1 HCS 4 1.129 -7.637 -1.429
31 HG3 HCS 4 HG2 HCS 4 1.136 -5.882 -1.354
32 H HIS 5 H HIS 5 -1.191 -4.979 1.706
33 HA HIS 5 HA HIS 5 -3.543 -5.532 3.068
34 HB2 HIS 5 HB2 HIS 5 -2.718 -6.126 5.317
35 HB3 HIS 5 HB3 HIS 5 -2.358 -7.371 4.134
36 HD1 HIS 5 HD1 HIS 5 -0.764 -5.180 6.619
37 HD2 HIS 5 HD2 HIS 5 0.410 -7.524 3.400
38 HE1 HIS 5 HE1 HIS 5 1.706 -5.526 6.904
39 HE2 HIS 5 HE2 HIS 5 2.346 -7.117 5.060
40 H VAL 6 H VAL 6 -2.619 -3.410 1.822
41 HA VAL 6 HA VAL 6 -1.247 -1.640 3.686
42 HB VAL 6 HB VAL 6 -1.864 -0.398 1.163
43 HG11 VAL 6 HG11 VAL 6 0.575 -0.099 1.130
44 HG12 VAL 6 HG12 VAL 6 0.699 -1.141 2.549
45 HG13 VAL 6 HG13 VAL 6 -0.162 0.397 2.652
46 HG21 VAL 6 HG21 VAL 6 -1.872 -2.636 0.232
47 HG22 VAL 6 HG22 VAL 6 -0.332 -2.987 1.014
48 HG23 VAL 6 HG23 VAL 6 -0.414 -1.774 -0.266
49 H HIS 7 H HIS 7 -1.968 0.684 3.678
50 HA HIS 7 HA HIS 7 -4.635 0.939 4.515
51 HB2 HIS 7 HB2 HIS 7 -3.000 2.442 5.389
52 HB3 HIS 7 HB3 HIS 7 -2.526 2.965 3.786
53 HD1 HIS 7 HD1 HIS 7 -5.281 3.423 6.321
54 HD2 HIS 7 HD2 HIS 7 -3.970 5.046 2.722
55 HE1 HIS 7 HE1 HIS 7 -6.588 5.552 6.018
56 HE2 HIS 7 HE2 HIS 7 -5.873 6.441 3.777
57 H ARG 8 H ARG 8 -3.102 2.395 1.619
58 HA ARG 8 HA ARG 8 -5.685 2.962 0.477
59 HB2 ARG 8 HB2 ARG 8 -2.949 3.188 -0.777
60 HB3 ARG 8 HB3 ARG 8 -4.437 3.852 -1.415
61 HG2 ARG 8 HG2 ARG 8 -4.559 5.276 0.662
62 HG3 ARG 8 HG3 ARG 8 -2.905 4.730 0.999
63 HD2 ARG 8 HD2 ARG 8 -2.054 5.709 -0.916
64 HD3 ARG 8 HD3 ARG 8 -3.637 5.840 -1.661
65 HE ARG 8 HE ARG 8 -3.031 7.461 0.701
66 HH11 ARG 8 HH11 ARG 8 -3.704 7.215 -2.737
67 HH12 ARG 8 HH12 ARG 8 -3.973 8.924 -2.926
68 HH21 ARG 8 HH21 ARG 8 -3.420 9.704 0.453
69 HH22 ARG 8 HH22 ARG 8 -3.823 10.338 -1.112
70 HA PRO 9 HA PRO 9 -5.541 -0.542 -2.362
71 HB2 PRO 9 HB2 PRO 9 -7.569 0.156 -3.962
72 HB3 PRO 9 HB3 PRO 9 -7.851 -0.311 -2.282
73 HG2 PRO 9 HG2 PRO 9 -7.923 2.382 -3.534
74 HG3 PRO 9 HG3 PRO 9 -8.816 1.763 -2.134
75 HD2 PRO 9 HD2 PRO 9 -6.444 3.344 -2.121
76 HD3 PRO 9 HD3 PRO 9 -7.263 2.618 -0.728
77 H ASP 10 H ASP 10 -4.829 2.680 -3.106
78 HA ASP 10 HA ASP 10 -4.317 2.168 -5.940
79 HB2 ASP 10 HB2 ASP 10 -4.099 4.626 -6.100
80 HB3 ASP 10 HB3 ASP 10 -5.658 4.122 -5.463
81 H TRP 11 H TRP 11 -2.619 2.249 -3.024
82 HA TRP 11 HA TRP 11 -0.140 2.813 -4.489
83 HB2 TRP 11 HB2 TRP 11 0.845 3.709 -2.517
84 HB3 TRP 11 HB3 TRP 11 -0.749 4.410 -2.641
85 HD1 TRP 11 HD1 TRP 11 -1.501 1.197 -1.234
86 HE1 TRP 11 HE1 TRP 11 -1.579 1.293 1.319
87 HE3 TRP 11 HE3 TRP 11 0.846 5.665 -0.535
88 HZ2 TRP 11 HZ2 TRP 11 -0.748 3.044 3.382
89 HZ3 TRP 11 HZ3 TRP 11 1.172 6.489 1.766
90 HH2 TRP 11 HH2 TRP 11 0.385 5.194 3.680
91 HA PRO 12 HA PRO 12 1.215 -1.292 -3.701
92 HB2 PRO 12 HB2 PRO 12 3.857 -1.063 -3.266
93 HB3 PRO 12 HB3 PRO 12 3.147 -0.695 -4.842
94 HG2 PRO 12 HG2 PRO 12 3.957 1.167 -2.646
95 HG3 PRO 12 HG3 PRO 12 4.243 1.312 -4.372
96 HD2 PRO 12 HD2 PRO 12 2.244 2.628 -3.106
97 HD3 PRO 12 HD3 PRO 12 2.128 2.111 -4.794
98 H CYS 13 H CYS 13 2.828 -2.581 -2.128
99 HA CYS 13 HA CYS 13 1.905 -1.940 0.560
100 HB2 CYS 13 HB2 CYS 13 2.667 -4.202 1.151
101 HB3 CYS 13 HB3 CYS 13 1.540 -4.216 -0.199
102 H TRP 14 H TRP 14 4.209 -0.664 -1.005
103 HA TRP 14 HA TRP 14 6.078 -0.699 1.238
104 HB2 TRP 14 HB2 TRP 14 7.986 -0.634 -0.461
105 HB3 TRP 14 HB3 TRP 14 7.189 -2.181 -0.214
106 HD1 TRP 14 HD1 TRP 14 5.652 -3.091 -2.187
107 HE1 TRP 14 HE1 TRP 14 5.613 -2.580 -4.713
108 HE3 TRP 14 HE3 TRP 14 8.360 1.243 -2.186
109 HZ2 TRP 14 HZ2 TRP 14 6.579 -0.595 -6.455
110 HZ3 TRP 14 HZ3 TRP 14 8.739 2.392 -4.324
111 HH2 TRP 14 HH2 TRP 14 7.863 1.488 -6.410
112 H TYR 15 H TYR 15 5.416 0.811 -1.901
113 HA TYR 15 HA TYR 15 5.636 2.867 -2.739
114 HB2 TYR 15 HB2 TYR 15 4.592 4.716 -1.237
115 HB3 TYR 15 HB3 TYR 15 3.598 3.430 -1.890
116 HD1 TYR 15 HD1 TYR 15 2.889 1.585 -0.479
117 HD2 TYR 15 HD2 TYR 15 4.833 4.992 1.153
118 HE1 TYR 15 HE1 TYR 15 2.083 0.973 1.737
119 HE2 TYR 15 HE2 TYR 15 4.027 4.387 3.395
120 HH TYR 15 HH TYR 15 2.643 1.353 4.093
121 H ARG 16 H ARG 16 6.471 3.715 0.640
122 HA ARG 16 HA ARG 16 8.336 4.662 1.519
123 HB2 ARG 16 HB2 ARG 16 9.602 3.305 -0.865
124 HB3 ARG 16 HB3 ARG 16 10.510 4.029 0.453
125 HG2 ARG 16 HG2 ARG 16 9.783 2.417 1.994
126 HG3 ARG 16 HG3 ARG 16 8.474 1.878 0.942
127 HD2 ARG 16 HD2 ARG 16 10.394 0.308 1.052
128 HD3 ARG 16 HD3 ARG 16 10.032 0.869 -0.582
129 HE ARG 16 HE ARG 16 11.971 2.569 0.493
130 HH11 ARG 16 HH11 ARG 16 11.677 -0.803 -0.384
131 HH12 ARG 16 HH12 ARG 16 13.355 -0.973 -0.785
132 HH21 ARG 16 HH21 ARG 16 14.171 2.356 -0.046
133 HH22 ARG 16 HH22 ARG 16 14.771 0.826 -0.609
Start of MODEL 17
1 H2 PRO 1 HT1 PRO 1 -2.248 -1.280 -7.093
2 H3 PRO 1 HT2 PRO 1 -1.807 -1.228 -8.660
3 HA PRO 1 HA PRO 1 0.112 -2.088 -8.345
4 HB2 PRO 1 HB2 PRO 1 0.981 -1.350 -5.741
5 HB3 PRO 1 HB3 PRO 1 1.598 -0.758 -7.290
6 HG2 PRO 1 HG2 PRO 1 -0.415 0.434 -5.479
7 HG3 PRO 1 HG3 PRO 1 0.698 1.233 -6.600
8 HD2 PRO 1 HD2 PRO 1 -1.909 1.072 -7.148
9 HD3 PRO 1 HD3 PRO 1 -0.703 0.896 -8.435
10 H SER 2 H SER 2 1.226 -3.360 -6.207
11 HA SER 2 HA SER 2 -0.631 -5.452 -5.725
12 HB2 SER 2 HB2 SER 2 1.800 -5.845 -5.924
13 HB3 SER 2 HB3 SER 2 2.058 -4.953 -4.431
14 HG SER 2 HG SER 2 0.403 -7.249 -4.605
15 H ILE 3 H ILE 3 -2.358 -4.947 -4.507
16 HA ILE 3 HA ILE 3 -2.036 -3.616 -1.956
17 HB ILE 3 HB ILE 3 -4.509 -4.971 -3.024
18 HG12 ILE 3 HG12 ILE 3 -3.741 -2.049 -3.208
19 HG13 ILE 3 HG13 ILE 3 -3.680 -3.180 -4.556
20 HG21 ILE 3 HG21 ILE 3 -4.560 -4.589 -0.638
21 HG22 ILE 3 HG22 ILE 3 -5.667 -3.478 -1.447
22 HG23 ILE 3 HG23 ILE 3 -4.101 -2.905 -0.874
23 HD11 ILE 3 HD11 ILE 3 -5.675 -1.788 -4.633
24 HD12 ILE 3 HD12 ILE 3 -6.159 -2.379 -3.046
25 HD13 ILE 3 HD13 ILE 3 -6.095 -3.488 -4.414
26 H HCS 4 H HCS 4 -0.663 -5.028 -0.910
27 HCA HCS 4 HA HCS 4 -1.170 -7.806 -0.637
28 HB2 HCS 4 HB1 HCS 4 0.544 -6.009 1.084
29 HB3 HCS 4 HB2 HCS 4 0.636 -7.763 1.015
30 HG2 HCS 4 HG1 HCS 4 1.251 -7.588 -1.372
31 HG3 HCS 4 HG2 HCS 4 1.246 -5.842 -1.215
32 H HIS 5 H HIS 5 -1.548 -5.056 1.531
33 HA HIS 5 HA HIS 5 -4.063 -5.719 2.489
34 HB2 HIS 5 HB2 HIS 5 -3.619 -6.476 4.781
35 HB3 HIS 5 HB3 HIS 5 -2.988 -7.622 3.609
36 HD1 HIS 5 HD1 HIS 5 -2.012 -5.568 6.488
37 HD2 HIS 5 HD2 HIS 5 -0.123 -7.597 3.394
38 HE1 HIS 5 HE1 HIS 5 0.386 -5.796 7.196
39 HE2 HIS 5 HE2 HIS 5 1.534 -6.971 5.286
40 H VAL 6 H VAL 6 -2.825 -3.542 1.543
41 HA VAL 6 HA VAL 6 -1.707 -1.948 3.688
42 HB VAL 6 HB VAL 6 -2.038 -0.573 1.146
43 HG11 VAL 6 HG11 VAL 6 0.398 -0.252 1.425
44 HG12 VAL 6 HG12 VAL 6 0.339 -1.291 2.850
45 HG13 VAL 6 HG13 VAL 6 -0.543 0.238 2.834
46 HG21 VAL 6 HG21 VAL 6 -0.469 -3.146 1.158
47 HG22 VAL 6 HG22 VAL 6 -0.387 -1.910 -0.100
48 HG23 VAL 6 HG23 VAL 6 -1.892 -2.784 0.181
49 H HIS 7 H HIS 7 -2.356 0.390 3.747
50 HA HIS 7 HA HIS 7 -5.049 0.642 4.476
51 HB2 HIS 7 HB2 HIS 7 -3.348 2.044 5.463
52 HB3 HIS 7 HB3 HIS 7 -2.943 2.726 3.896
53 HD1 HIS 7 HD1 HIS 7 -5.782 2.722 6.403
54 HD2 HIS 7 HD2 HIS 7 -4.307 4.964 3.227
55 HE1 HIS 7 HE1 HIS 7 -7.201 4.801 6.328
56 HE2 HIS 7 HE2 HIS 7 -6.136 6.234 4.548
57 H ARG 8 H ARG 8 -3.420 2.386 1.802
58 HA ARG 8 HA ARG 8 -5.945 3.103 0.660
59 HB2 ARG 8 HB2 ARG 8 -3.220 3.338 -0.613
60 HB3 ARG 8 HB3 ARG 8 -4.670 4.202 -1.066
61 HG2 ARG 8 HG2 ARG 8 -4.609 5.266 1.218
62 HG3 ARG 8 HG3 ARG 8 -2.989 4.569 1.382
63 HD2 ARG 8 HD2 ARG 8 -2.250 5.732 -0.589
64 HD3 ARG 8 HD3 ARG 8 -3.877 6.351 -0.858
65 HE ARG 8 HE ARG 8 -3.006 7.136 1.694
66 HH11 ARG 8 HH11 ARG 8 -2.356 7.793 -1.686
67 HH12 ARG 8 HH12 ARG 8 -1.787 9.401 -1.401
68 HH21 ARG 8 HH21 ARG 8 -2.252 9.266 2.071
69 HH22 ARG 8 HH22 ARG 8 -1.738 10.244 0.734
70 HA PRO 9 HA PRO 9 -6.020 -0.250 -2.317
71 HB2 PRO 9 HB2 PRO 9 -8.078 0.583 -3.813
72 HB3 PRO 9 HB3 PRO 9 -8.321 0.066 -2.141
73 HG2 PRO 9 HG2 PRO 9 -8.313 2.797 -3.293
74 HG3 PRO 9 HG3 PRO 9 -9.192 2.173 -1.890
75 HD2 PRO 9 HD2 PRO 9 -6.758 3.652 -1.892
76 HD3 PRO 9 HD3 PRO 9 -7.557 2.901 -0.502
77 H ASP 10 H ASP 10 -4.811 2.697 -2.748
78 HA ASP 10 HA ASP 10 -4.550 2.606 -5.667
79 HB2 ASP 10 HB2 ASP 10 -5.509 4.663 -4.918
80 HB3 ASP 10 HB3 ASP 10 -4.306 4.835 -3.647
81 H TRP 11 H TRP 11 -2.805 2.278 -2.726
82 HA TRP 11 HA TRP 11 -0.283 2.716 -4.151
83 HB2 TRP 11 HB2 TRP 11 0.694 3.541 -2.144
84 HB3 TRP 11 HB3 TRP 11 -0.871 4.309 -2.301
85 HD1 TRP 11 HD1 TRP 11 -1.761 1.086 -0.949
86 HE1 TRP 11 HE1 TRP 11 -1.914 1.158 1.599
87 HE3 TRP 11 HE3 TRP 11 0.668 5.496 -0.119
88 HZ2 TRP 11 HZ2 TRP 11 -1.113 2.854 3.704
89 HZ3 TRP 11 HZ3 TRP 11 0.938 6.271 2.199
90 HH2 TRP 11 HH2 TRP 11 0.062 4.970 4.062
91 HA PRO 12 HA PRO 12 0.921 -1.447 -3.309
92 HB2 PRO 12 HB2 PRO 12 3.574 -1.285 -3.049
93 HB3 PRO 12 HB3 PRO 12 2.787 -0.872 -4.581
94 HG2 PRO 12 HG2 PRO 12 3.746 0.940 -2.395
95 HG3 PRO 12 HG3 PRO 12 3.993 1.087 -4.131
96 HD2 PRO 12 HD2 PRO 12 2.070 2.450 -2.785
97 HD3 PRO 12 HD3 PRO 12 1.894 1.967 -4.485
98 H CYS 13 H CYS 13 2.788 -2.615 -1.777
99 HA CYS 13 HA CYS 13 1.922 -1.954 0.929
100 HB2 CYS 13 HB2 CYS 13 2.700 -4.196 1.531
101 HB3 CYS 13 HB3 CYS 13 1.563 -4.260 0.189
102 H TRP 14 H TRP 14 4.106 -0.602 -0.689
103 HA TRP 14 HA TRP 14 6.140 -0.683 1.404
104 HB2 TRP 14 HB2 TRP 14 7.925 -0.598 -0.439
105 HB3 TRP 14 HB3 TRP 14 7.159 -2.151 -0.131
106 HD1 TRP 14 HD1 TRP 14 5.505 -3.081 -2.008
107 HE1 TRP 14 HE1 TRP 14 5.272 -2.557 -4.516
108 HE3 TRP 14 HE3 TRP 14 8.128 1.289 -2.158
109 HZ2 TRP 14 HZ2 TRP 14 6.068 -0.537 -6.307
110 HZ3 TRP 14 HZ3 TRP 14 8.329 2.469 -4.299
111 HH2 TRP 14 HH2 TRP 14 7.324 1.572 -6.335
112 H TYR 15 H TYR 15 5.210 0.877 -1.642
113 HA TYR 15 HA TYR 15 5.513 2.973 -2.441
114 HB2 TYR 15 HB2 TYR 15 4.365 4.716 -0.884
115 HB3 TYR 15 HB3 TYR 15 3.416 3.439 -1.617
116 HD1 TYR 15 HD1 TYR 15 4.523 4.910 1.497
117 HD2 TYR 15 HD2 TYR 15 2.795 1.446 -0.257
118 HE1 TYR 15 HE1 TYR 15 3.766 4.170 3.716
119 HE2 TYR 15 HE2 TYR 15 2.034 0.701 1.938
120 HH TYR 15 HH TYR 15 2.100 2.713 4.712
121 H ARG 16 H ARG 16 7.647 3.327 -2.599
122 HA ARG 16 HA ARG 16 8.921 4.835 -0.422
123 HB2 ARG 16 HB2 ARG 16 10.112 2.566 -2.019
124 HB3 ARG 16 HB3 ARG 16 11.016 3.583 -0.905
125 HG2 ARG 16 HG2 ARG 16 9.812 2.761 0.961
126 HG3 ARG 16 HG3 ARG 16 8.632 1.953 -0.075
127 HD2 ARG 16 HD2 ARG 16 10.248 0.371 0.874
128 HD3 ARG 16 HD3 ARG 16 10.339 0.440 -0.888
129 HE ARG 16 HE ARG 16 12.213 2.247 0.055
130 HH11 ARG 16 HH11 ARG 16 11.643 -1.201 0.255
131 HH12 ARG 16 HH12 ARG 16 13.314 -1.595 0.493
132 HH21 ARG 16 HH21 ARG 16 14.417 1.734 0.350
133 HH22 ARG 16 HH22 ARG 16 14.891 0.077 0.554
Start of MODEL 18
1 H2 PRO 1 HT1 PRO 1 -2.872 -2.020 -7.448
2 H3 PRO 1 HT2 PRO 1 -2.276 -1.197 -8.726
3 HA PRO 1 HA PRO 1 -0.485 -2.263 -8.499
4 HB2 PRO 1 HB2 PRO 1 0.345 -1.392 -5.859
5 HB3 PRO 1 HB3 PRO 1 1.016 -0.960 -7.439
6 HG2 PRO 1 HG2 PRO 1 -0.387 0.789 -5.915
7 HG3 PRO 1 HG3 PRO 1 -0.379 0.848 -7.687
8 HD2 PRO 1 HD2 PRO 1 -2.441 -0.329 -5.839
9 HD3 PRO 1 HD3 PRO 1 -2.676 0.695 -7.268
10 H SER 2 H SER 2 0.930 -3.341 -6.335
11 HA SER 2 HA SER 2 -0.618 -5.686 -5.841
12 HB2 SER 2 HB2 SER 2 1.501 -6.213 -4.408
13 HB3 SER 2 HB3 SER 2 1.637 -6.136 -6.166
14 HG SER 2 HG SER 2 3.267 -4.879 -5.418
15 H ILE 3 H ILE 3 -2.345 -5.257 -4.522
16 HA ILE 3 HA ILE 3 -1.932 -3.926 -1.981
17 HB ILE 3 HB ILE 3 -4.425 -5.344 -2.904
18 HG12 ILE 3 HG12 ILE 3 -3.682 -2.420 -3.221
19 HG13 ILE 3 HG13 ILE 3 -3.801 -3.589 -4.532
20 HG21 ILE 3 HG21 ILE 3 -5.543 -3.920 -1.261
21 HG22 ILE 3 HG22 ILE 3 -3.993 -3.196 -0.829
22 HG23 ILE 3 HG23 ILE 3 -4.289 -4.905 -0.503
23 HD11 ILE 3 HD11 ILE 3 -5.768 -2.186 -4.463
24 HD12 ILE 3 HD12 ILE 3 -6.053 -2.637 -2.781
25 HD13 ILE 3 HD13 ILE 3 -6.193 -3.849 -4.051
26 H HCS 4 H HCS 4 -0.441 -5.333 -1.102
27 HCA HCS 4 HA HCS 4 -0.932 -8.093 -0.599
28 HB2 HCS 4 HB1 HCS 4 0.851 -6.243 0.998
29 HB3 HCS 4 HB2 HCS 4 1.004 -7.983 0.828
30 HG2 HCS 4 HG1 HCS 4 1.578 -7.726 -1.509
31 HG3 HCS 4 HG2 HCS 4 1.376 -5.987 -1.386
32 H HIS 5 H HIS 5 -1.005 -5.212 1.365
33 HA HIS 5 HA HIS 5 -3.463 -5.535 2.524
34 HB2 HIS 5 HB2 HIS 5 -2.968 -6.208 4.839
35 HB3 HIS 5 HB3 HIS 5 -2.580 -7.498 3.715
36 HD1 HIS 5 HD1 HIS 5 -1.177 -5.520 6.437
37 HD2 HIS 5 HD2 HIS 5 0.261 -7.809 3.283
38 HE1 HIS 5 HE1 HIS 5 1.222 -6.023 7.008
39 HE2 HIS 5 HE2 HIS 5 2.113 -7.283 5.013
40 H VAL 6 H VAL 6 -3.552 -3.378 2.155
41 HA VAL 6 HA VAL 6 -1.692 -1.725 3.680
42 HB VAL 6 HB VAL 6 -2.263 -0.399 1.212
43 HG11 VAL 6 HG11 VAL 6 -0.511 0.200 2.772
44 HG12 VAL 6 HG12 VAL 6 0.176 -0.188 1.195
45 HG13 VAL 6 HG13 VAL 6 0.281 -1.358 2.512
46 HG21 VAL 6 HG21 VAL 6 -0.945 -1.765 -0.311
47 HG22 VAL 6 HG22 VAL 6 -2.381 -2.639 0.231
48 HG23 VAL 6 HG23 VAL 6 -0.804 -3.020 0.921
49 H HIS 7 H HIS 7 -2.404 0.592 3.745
50 HA HIS 7 HA HIS 7 -5.114 0.783 4.540
51 HB2 HIS 7 HB2 HIS 7 -3.439 2.132 5.621
52 HB3 HIS 7 HB3 HIS 7 -2.985 2.868 4.094
53 HD1 HIS 7 HD1 HIS 7 -5.948 2.786 6.469
54 HD2 HIS 7 HD2 HIS 7 -4.212 5.203 3.569
55 HE1 HIS 7 HE1 HIS 7 -7.226 4.953 6.548
56 HE2 HIS 7 HE2 HIS 7 -6.273 6.331 4.664
57 H ARG 8 H ARG 8 -3.413 2.428 1.837
58 HA ARG 8 HA ARG 8 -5.962 3.208 0.708
59 HB2 ARG 8 HB2 ARG 8 -3.261 3.603 -0.562
60 HB3 ARG 8 HB3 ARG 8 -4.722 4.534 -0.828
61 HG2 ARG 8 HG2 ARG 8 -4.388 4.938 1.777
62 HG3 ARG 8 HG3 ARG 8 -2.710 4.742 1.284
63 HD2 ARG 8 HD2 ARG 8 -4.712 6.798 0.447
64 HD3 ARG 8 HD3 ARG 8 -3.103 7.016 1.111
65 HE ARG 8 HE ARG 8 -3.503 5.950 -1.610
66 HH11 ARG 8 HH11 ARG 8 -2.045 8.245 0.619
67 HH12 ARG 8 HH12 ARG 8 -1.084 9.014 -0.604
68 HH21 ARG 8 HH21 ARG 8 -2.271 6.983 -3.228
69 HH22 ARG 8 HH22 ARG 8 -1.220 8.307 -2.786
70 HA PRO 9 HA PRO 9 -5.934 -0.083 -2.282
71 HB2 PRO 9 HB2 PRO 9 -7.888 0.790 -3.906
72 HB3 PRO 9 HB3 PRO 9 -8.217 0.276 -2.249
73 HG2 PRO 9 HG2 PRO 9 -8.145 2.996 -3.402
74 HG3 PRO 9 HG3 PRO 9 -9.051 2.386 -2.010
75 HD2 PRO 9 HD2 PRO 9 -6.601 3.845 -1.990
76 HD3 PRO 9 HD3 PRO 9 -7.447 3.142 -0.602
77 H ASP 10 H ASP 10 -4.965 3.076 -3.046
78 HA ASP 10 HA ASP 10 -4.468 2.486 -5.865
79 HB2 ASP 10 HB2 ASP 10 -4.140 4.845 -6.145
80 HB3 ASP 10 HB3 ASP 10 -5.599 4.620 -5.186
81 H TRP 11 H TRP 11 -2.845 2.534 -2.874
82 HA TRP 11 HA TRP 11 -0.282 2.987 -4.219
83 HB2 TRP 11 HB2 TRP 11 0.619 3.797 -2.187
84 HB3 TRP 11 HB3 TRP 11 -0.982 4.500 -2.303
85 HD1 TRP 11 HD1 TRP 11 -1.768 1.211 -1.085
86 HE1 TRP 11 HE1 TRP 11 -1.914 1.179 1.466
87 HE3 TRP 11 HE3 TRP 11 0.556 5.640 -0.079
88 HZ2 TRP 11 HZ2 TRP 11 -1.157 2.804 3.635
89 HZ3 TRP 11 HZ3 TRP 11 0.795 6.334 2.268
90 HH2 TRP 11 HH2 TRP 11 -0.033 4.929 4.085
91 HA PRO 12 HA PRO 12 0.921 -1.193 -3.519
92 HB2 PRO 12 HB2 PRO 12 3.557 -1.055 -3.111
93 HB3 PRO 12 HB3 PRO 12 2.851 -0.549 -4.652
94 HG2 PRO 12 HG2 PRO 12 3.678 1.140 -2.313
95 HG3 PRO 12 HG3 PRO 12 4.035 1.377 -4.020
96 HD2 PRO 12 HD2 PRO 12 2.029 2.679 -2.759
97 HD3 PRO 12 HD3 PRO 12 1.953 2.245 -4.474
98 H CYS 13 H CYS 13 2.659 -2.470 -1.947
99 HA CYS 13 HA CYS 13 1.618 -2.015 0.728
100 HB2 CYS 13 HB2 CYS 13 2.434 -4.239 1.260
101 HB3 CYS 13 HB3 CYS 13 1.466 -4.279 -0.207
102 H TRP 14 H TRP 14 4.041 -0.710 -0.823
103 HA TRP 14 HA TRP 14 5.891 -0.849 1.452
104 HB2 TRP 14 HB2 TRP 14 7.782 -0.792 -0.268
105 HB3 TRP 14 HB3 TRP 14 6.910 -2.312 -0.097
106 HD1 TRP 14 HD1 TRP 14 5.337 -3.052 -2.125
107 HE1 TRP 14 HE1 TRP 14 5.273 -2.358 -4.600
108 HE3 TRP 14 HE3 TRP 14 8.151 1.182 -1.830
109 HZ2 TRP 14 HZ2 TRP 14 6.268 -0.269 -6.207
110 HZ3 TRP 14 HZ3 TRP 14 8.525 2.497 -3.866
111 HH2 TRP 14 HH2 TRP 14 7.605 1.779 -6.013
112 H TYR 15 H TYR 15 5.161 0.861 -1.567
113 HA TYR 15 HA TYR 15 5.503 3.002 -2.233
114 HB2 TYR 15 HB2 TYR 15 4.275 4.639 -0.648
115 HB3 TYR 15 HB3 TYR 15 3.365 3.358 -1.431
116 HD1 TYR 15 HD1 TYR 15 4.570 4.635 1.791
117 HD2 TYR 15 HD2 TYR 15 2.607 1.440 -0.209
118 HE1 TYR 15 HE1 TYR 15 3.791 3.769 3.950
119 HE2 TYR 15 HE2 TYR 15 1.831 0.570 1.934
120 HH TYR 15 HH TYR 15 2.105 2.351 4.869
121 H ARG 16 H ARG 16 7.671 3.326 -2.268
122 HA ARG 16 HA ARG 16 8.819 4.807 -0.007
123 HB2 ARG 16 HB2 ARG 16 10.104 2.449 -1.392
124 HB3 ARG 16 HB3 ARG 16 10.893 3.470 -0.197
125 HG2 ARG 16 HG2 ARG 16 9.470 2.708 1.530
126 HG3 ARG 16 HG3 ARG 16 8.366 1.960 0.380
127 HD2 ARG 16 HD2 ARG 16 9.785 0.316 1.540
128 HD3 ARG 16 HD3 ARG 16 10.015 0.305 -0.211
129 HE ARG 16 HE ARG 16 11.887 2.022 1.069
130 HH11 ARG 16 HH11 ARG 16 11.195 -1.361 0.476
131 HH12 ARG 16 HH12 ARG 16 12.858 -1.848 0.552
132 HH21 ARG 16 HH21 ARG 16 14.074 1.386 1.186
133 HH22 ARG 16 HH22 ARG 16 14.496 -0.280 0.954
Start of MODEL 19
1 H2 PRO 1 HT1 PRO 1 -1.351 -2.366 -8.626
2 H3 PRO 1 HT2 PRO 1 -0.067 -2.063 -9.598
3 HA PRO 1 HA PRO 1 1.330 -1.893 -8.004
4 HB2 PRO 1 HB2 PRO 1 -0.043 -0.929 -5.726
5 HB3 PRO 1 HB3 PRO 1 1.117 -0.056 -6.738
6 HG2 PRO 1 HG2 PRO 1 -1.848 -0.054 -6.837
7 HG3 PRO 1 HG3 PRO 1 -0.704 1.230 -7.269
8 HD2 PRO 1 HD2 PRO 1 -2.000 -0.134 -9.160
9 HD3 PRO 1 HD3 PRO 1 -0.302 0.333 -9.386
10 H SER 2 H SER 2 1.833 -3.145 -6.051
11 HA SER 2 HA SER 2 0.185 -5.485 -5.866
12 HB2 SER 2 HB2 SER 2 2.636 -4.723 -4.262
13 HB3 SER 2 HB3 SER 2 1.898 -6.324 -4.335
14 HG SER 2 HG SER 2 2.363 -6.340 -6.583
15 H ILE 3 H ILE 3 -1.757 -4.915 -4.976
16 HA ILE 3 HA ILE 3 -1.906 -3.540 -2.437
17 HB ILE 3 HB ILE 3 -4.126 -4.988 -3.870
18 HG12 ILE 3 HG12 ILE 3 -3.392 -2.062 -4.064
19 HG13 ILE 3 HG13 ILE 3 -3.050 -3.252 -5.315
20 HG21 ILE 3 HG21 ILE 3 -4.540 -4.457 -1.503
21 HG22 ILE 3 HG22 ILE 3 -5.599 -3.547 -2.581
22 HG23 ILE 3 HG23 ILE 3 -4.205 -2.757 -1.842
23 HD11 ILE 3 HD11 ILE 3 -5.782 -2.460 -4.334
24 HD12 ILE 3 HD12 ILE 3 -5.438 -3.629 -5.608
25 HD13 ILE 3 HD13 ILE 3 -5.025 -1.932 -5.834
26 H HCS 4 H HCS 4 -0.914 -4.765 -0.931
27 HCA HCS 4 HA HCS 4 -1.499 -7.589 -0.695
28 HB2 HCS 4 HB1 HCS 4 0.200 -5.853 1.101
29 HB3 HCS 4 HB2 HCS 4 0.179 -7.613 1.057
30 HG2 HCS 4 HG1 HCS 4 0.966 -7.521 -1.278
31 HG3 HCS 4 HG2 HCS 4 1.068 -5.776 -1.145
32 H HIS 5 H HIS 5 -2.068 -4.638 1.104
33 HA HIS 5 HA HIS 5 -4.644 -5.165 1.801
34 HB2 HIS 5 HB2 HIS 5 -4.602 -5.718 4.187
35 HB3 HIS 5 HB3 HIS 5 -3.864 -6.993 3.240
36 HD1 HIS 5 HD1 HIS 5 -3.275 -4.805 6.088
37 HD2 HIS 5 HD2 HIS 5 -0.985 -7.037 3.433
38 HE1 HIS 5 HE1 HIS 5 -1.023 -5.051 7.181
39 HE2 HIS 5 HE2 HIS 5 0.314 -6.499 5.611
40 H VAL 6 H VAL 6 -1.856 -3.975 3.549
41 HA VAL 6 HA VAL 6 -1.296 -1.933 4.403
42 HB VAL 6 HB VAL 6 -2.176 -0.552 1.962
43 HG11 VAL 6 HG11 VAL 6 0.559 -0.953 3.152
44 HG12 VAL 6 HG12 VAL 6 -0.551 0.343 3.598
45 HG13 VAL 6 HG13 VAL 6 0.075 0.250 1.952
46 HG21 VAL 6 HG21 VAL 6 -0.250 -2.869 1.770
47 HG22 VAL 6 HG22 VAL 6 -0.587 -1.694 0.496
48 HG23 VAL 6 HG23 VAL 6 -1.858 -2.791 1.043
49 H HIS 7 H HIS 7 -2.405 0.595 3.285
50 HA HIS 7 HA HIS 7 -4.869 0.756 4.873
51 HB2 HIS 7 HB2 HIS 7 -3.185 2.207 5.772
52 HB3 HIS 7 HB3 HIS 7 -2.771 2.810 4.180
53 HD1 HIS 7 HD1 HIS 7 -5.455 3.143 6.825
54 HD2 HIS 7 HD2 HIS 7 -4.209 4.943 3.280
55 HE1 HIS 7 HE1 HIS 7 -6.777 5.279 6.639
56 HE2 HIS 7 HE2 HIS 7 -6.120 6.261 4.414
57 H ARG 8 H ARG 8 -3.377 2.331 2.017
58 HA ARG 8 HA ARG 8 -5.947 3.071 0.967
59 HB2 ARG 8 HB2 ARG 8 -3.247 3.155 -0.369
60 HB3 ARG 8 HB3 ARG 8 -4.694 3.966 -0.919
61 HG2 ARG 8 HG2 ARG 8 -4.609 5.294 1.234
62 HG3 ARG 8 HG3 ARG 8 -2.992 4.601 1.454
63 HD2 ARG 8 HD2 ARG 8 -2.200 5.540 -0.552
64 HD3 ARG 8 HD3 ARG 8 -3.821 5.974 -1.066
65 HE ARG 8 HE ARG 8 -3.005 7.302 1.344
66 HH11 ARG 8 HH11 ARG 8 -2.950 7.337 -2.155
67 HH12 ARG 8 HH12 ARG 8 -2.645 9.049 -2.258
68 HH21 ARG 8 HH21 ARG 8 -2.625 9.572 1.210
69 HH22 ARG 8 HH22 ARG 8 -2.445 10.312 -0.349
70 HA PRO 9 HA PRO 9 -6.079 -0.338 -1.992
71 HB2 PRO 9 HB2 PRO 9 -8.145 0.481 -3.473
72 HB3 PRO 9 HB3 PRO 9 -8.374 0.009 -1.785
73 HG2 PRO 9 HG2 PRO 9 -8.323 2.716 -3.005
74 HG3 PRO 9 HG3 PRO 9 -9.234 2.131 -1.603
75 HD2 PRO 9 HD2 PRO 9 -6.777 3.572 -1.578
76 HD3 PRO 9 HD3 PRO 9 -7.597 2.829 -0.193
77 H ASP 10 H ASP 10 -5.025 2.783 -2.620
78 HA ASP 10 HA ASP 10 -4.730 2.377 -5.509
79 HB2 ASP 10 HB2 ASP 10 -4.190 4.812 -5.554
80 HB3 ASP 10 HB3 ASP 10 -5.803 4.456 -4.958
81 H TRP 11 H TRP 11 -2.946 2.218 -2.640
82 HA TRP 11 HA TRP 11 -0.446 2.603 -4.131
83 HB2 TRP 11 HB2 TRP 11 0.593 3.451 -2.164
84 HB3 TRP 11 HB3 TRP 11 -0.965 4.229 -2.271
85 HD1 TRP 11 HD1 TRP 11 -1.852 1.049 -0.855
86 HE1 TRP 11 HE1 TRP 11 -1.924 1.149 1.688
87 HE3 TRP 11 HE3 TRP 11 0.687 5.411 -0.153
88 HZ2 TRP 11 HZ2 TRP 11 -1.014 2.855 3.768
89 HZ3 TRP 11 HZ3 TRP 11 1.053 6.207 2.148
90 HH2 TRP 11 HH2 TRP 11 0.212 4.959 4.066
91 HA PRO 12 HA PRO 12 0.678 -1.589 -3.214
92 HB2 PRO 12 HB2 PRO 12 3.336 -1.495 -3.032
93 HB3 PRO 12 HB3 PRO 12 2.519 -1.098 -4.548
94 HG2 PRO 12 HG2 PRO 12 3.605 0.746 -2.451
95 HG3 PRO 12 HG3 PRO 12 3.784 0.836 -4.201
96 HD2 PRO 12 HD2 PRO 12 1.950 2.287 -2.809
97 HD3 PRO 12 HD3 PRO 12 1.715 1.787 -4.495
98 H CYS 13 H CYS 13 2.696 -2.668 -1.701
99 HA CYS 13 HA CYS 13 1.868 -1.929 1.004
100 HB2 CYS 13 HB2 CYS 13 2.576 -4.157 1.690
101 HB3 CYS 13 HB3 CYS 13 1.422 -4.248 0.362
102 H TRP 14 H TRP 14 4.049 -0.717 -0.733
103 HA TRP 14 HA TRP 14 6.123 -0.778 1.329
104 HB2 TRP 14 HB2 TRP 14 7.867 -0.764 -0.547
105 HB3 TRP 14 HB3 TRP 14 7.058 -2.293 -0.225
106 HD1 TRP 14 HD1 TRP 14 5.355 -3.191 -2.071
107 HE1 TRP 14 HE1 TRP 14 5.097 -2.650 -4.578
108 HE3 TRP 14 HE3 TRP 14 8.036 1.151 -2.237
109 HZ2 TRP 14 HZ2 TRP 14 5.909 -0.630 -6.373
110 HZ3 TRP 14 HZ3 TRP 14 8.218 2.344 -4.369
111 HH2 TRP 14 HH2 TRP 14 7.180 1.467 -6.398
112 H TYR 15 H TYR 15 5.080 0.758 -1.681
113 HA TYR 15 HA TYR 15 5.339 2.848 -2.518
114 HB2 TYR 15 HB2 TYR 15 4.238 4.573 -0.889
115 HB3 TYR 15 HB3 TYR 15 3.287 3.291 -1.622
116 HD1 TYR 15 HD1 TYR 15 4.523 4.674 1.496
117 HD2 TYR 15 HD2 TYR 15 2.688 1.301 -0.310
118 HE1 TYR 15 HE1 TYR 15 3.833 3.866 3.714
119 HE2 TYR 15 HE2 TYR 15 2.007 0.483 1.878
120 HH TYR 15 HH TYR 15 2.248 2.410 4.739
121 H ARG 16 H ARG 16 7.458 3.227 -2.777
122 HA ARG 16 HA ARG 16 8.762 4.858 -0.711
123 HB2 ARG 16 HB2 ARG 16 9.967 2.565 -2.266
124 HB3 ARG 16 HB3 ARG 16 10.899 3.697 -1.298
125 HG2 ARG 16 HG2 ARG 16 10.001 2.913 0.707
126 HG3 ARG 16 HG3 ARG 16 8.653 2.113 -0.105
127 HD2 ARG 16 HD2 ARG 16 10.439 0.580 0.742
128 HD3 ARG 16 HD3 ARG 16 10.085 0.422 -0.979
129 HE ARG 16 HE ARG 16 12.160 2.217 -0.830
130 HH11 ARG 16 HH11 ARG 16 11.644 -1.078 0.250
131 HH12 ARG 16 HH12 ARG 16 13.310 -1.533 0.066
132 HH21 ARG 16 HH21 ARG 16 14.345 1.619 -1.090
133 HH22 ARG 16 HH22 ARG 16 14.841 -0.001 -0.708
Start of MODEL 20
1 H2 PRO 1 HT1 PRO 1 -1.794 -0.733 -7.066
2 H3 PRO 1 HT2 PRO 1 -1.505 -0.746 -8.669
3 HA PRO 1 HA PRO 1 0.122 -2.138 -8.564
4 HB2 PRO 1 HB2 PRO 1 1.196 -1.878 -5.920
5 HB3 PRO 1 HB3 PRO 1 1.981 -1.515 -7.464
6 HG2 PRO 1 HG2 PRO 1 0.594 0.287 -5.591
7 HG3 PRO 1 HG3 PRO 1 1.828 0.658 -6.805
8 HD2 PRO 1 HD2 PRO 1 -0.730 1.396 -7.140
9 HD3 PRO 1 HD3 PRO 1 0.265 0.882 -8.511
10 H SER 2 H SER 2 0.722 -4.083 -7.002
11 HA SER 2 HA SER 2 -1.685 -5.397 -6.378
12 HB2 SER 2 HB2 SER 2 1.180 -6.038 -5.643
13 HB3 SER 2 HB3 SER 2 -0.176 -7.131 -5.369
14 HG SER 2 HG SER 2 1.176 -7.206 -7.458
15 H ILE 3 H ILE 3 -2.903 -5.413 -4.604
16 HA ILE 3 HA ILE 3 -2.009 -3.966 -2.247
17 HB ILE 3 HB ILE 3 -4.655 -5.345 -2.670
18 HG12 ILE 3 HG12 ILE 3 -3.979 -2.430 -3.149
19 HG13 ILE 3 HG13 ILE 3 -4.170 -3.623 -4.429
20 HG21 ILE 3 HG21 ILE 3 -4.076 -4.824 -0.341
21 HG22 ILE 3 HG22 ILE 3 -5.451 -3.874 -0.904
22 HG23 ILE 3 HG23 ILE 3 -3.858 -3.130 -0.782
23 HD11 ILE 3 HD11 ILE 3 -6.164 -2.275 -4.174
24 HD12 ILE 3 HD12 ILE 3 -6.300 -2.765 -2.484
25 HD13 ILE 3 HD13 ILE 3 -6.491 -3.959 -3.770
26 H HCS 4 H HCS 4 -0.561 -5.242 -1.195
27 HCA HCS 4 HA HCS 4 -1.008 -7.987 -0.569
28 HB2 HCS 4 HB1 HCS 4 0.716 -6.078 1.003
29 HB3 HCS 4 HB2 HCS 4 0.890 -7.818 0.866
30 HG2 HCS 4 HG1 HCS 4 1.479 -7.564 -1.489
31 HG3 HCS 4 HG2 HCS 4 1.328 -5.822 -1.333
32 H HIS 5 H HIS 5 -1.036 -5.085 1.384
33 HA HIS 5 HA HIS 5 -3.523 -5.327 2.525
34 HB2 HIS 5 HB2 HIS 5 -3.062 -6.069 4.823
35 HB3 HIS 5 HB3 HIS 5 -2.690 -7.347 3.677
36 HD1 HIS 5 HD1 HIS 5 -1.242 -5.414 6.438
37 HD2 HIS 5 HD2 HIS 5 0.136 -7.746 3.284
38 HE1 HIS 5 HE1 HIS 5 1.134 -6.006 7.017
39 HE2 HIS 5 HE2 HIS 5 1.903 -7.518 5.160
40 H VAL 6 H VAL 6 -3.523 -3.177 2.161
41 HA VAL 6 HA VAL 6 -1.645 -1.601 3.765
42 HB VAL 6 HB VAL 6 -2.171 -0.285 1.254
43 HG11 VAL 6 HG11 VAL 6 0.293 -0.071 1.292
44 HG12 VAL 6 HG12 VAL 6 0.332 -1.121 2.712
45 HG13 VAL 6 HG13 VAL 6 -0.480 0.447 2.788
46 HG21 VAL 6 HG21 VAL 6 -2.235 -2.541 0.338
47 HG22 VAL 6 HG22 VAL 6 -0.688 -2.906 1.097
48 HG23 VAL 6 HG23 VAL 6 -0.780 -1.692 -0.182
49 H HIS 7 H HIS 7 -2.303 0.720 3.911
50 HA HIS 7 HA HIS 7 -4.968 1.054 4.682
51 HB2 HIS 7 HB2 HIS 7 -3.204 2.468 5.544
52 HB3 HIS 7 HB3 HIS 7 -2.866 3.088 3.938
53 HD1 HIS 7 HD1 HIS 7 -5.365 3.373 6.732
54 HD2 HIS 7 HD2 HIS 7 -4.407 5.184 3.115
55 HE1 HIS 7 HE1 HIS 7 -6.751 5.469 6.647
56 HE2 HIS 7 HE2 HIS 7 -6.326 6.428 4.350
57 H ARG 8 H ARG 8 -3.413 2.656 1.864
58 HA ARG 8 HA ARG 8 -5.976 3.187 0.678
59 HB2 ARG 8 HB2 ARG 8 -3.270 3.459 -0.631
60 HB3 ARG 8 HB3 ARG 8 -4.760 4.245 -1.113
61 HG2 ARG 8 HG2 ARG 8 -4.701 5.427 1.124
62 HG3 ARG 8 HG3 ARG 8 -3.047 4.816 1.277
63 HD2 ARG 8 HD2 ARG 8 -2.398 5.933 -0.745
64 HD3 ARG 8 HD3 ARG 8 -4.059 6.432 -1.036
65 HE ARG 8 HE ARG 8 -3.063 7.379 1.468
66 HH11 ARG 8 HH11 ARG 8 -3.080 7.975 -1.974
67 HH12 ARG 8 HH12 ARG 8 -2.795 9.680 -1.818
68 HH21 ARG 8 HH21 ARG 8 -2.693 9.629 1.698
69 HH22 ARG 8 HH22 ARG 8 -2.568 10.622 0.282
70 HA PRO 9 HA PRO 9 -5.905 -0.433 -1.948
71 HB2 PRO 9 HB2 PRO 9 -8.041 0.105 -3.442
72 HB3 PRO 9 HB3 PRO 9 -8.198 -0.152 -1.700
73 HG2 PRO 9 HG2 PRO 9 -8.294 2.384 -3.254
74 HG3 PRO 9 HG3 PRO 9 -9.157 1.936 -1.774
75 HD2 PRO 9 HD2 PRO 9 -6.770 3.468 -1.973
76 HD3 PRO 9 HD3 PRO 9 -7.535 2.858 -0.494
77 H ASP 10 H ASP 10 -4.802 2.494 -2.854
78 HA ASP 10 HA ASP 10 -4.604 1.844 -5.714
79 HB2 ASP 10 HB2 ASP 10 -5.842 3.923 -5.174
80 HB3 ASP 10 HB3 ASP 10 -4.401 4.554 -4.388
81 H TRP 11 H TRP 11 -2.854 2.451 -2.817
82 HA TRP 11 HA TRP 11 -0.357 2.833 -4.303
83 HB2 TRP 11 HB2 TRP 11 0.578 3.781 -2.315
84 HB3 TRP 11 HB3 TRP 11 -1.032 4.446 -2.490
85 HD1 TRP 11 HD1 TRP 11 -1.801 1.253 -1.054
86 HE1 TRP 11 HE1 TRP 11 -1.934 1.377 1.494
87 HE3 TRP 11 HE3 TRP 11 0.547 5.728 -0.330
88 HZ2 TRP 11 HZ2 TRP 11 -1.128 3.121 3.557
89 HZ3 TRP 11 HZ3 TRP 11 0.841 6.539 1.966
90 HH2 TRP 11 HH2 TRP 11 0.019 5.255 3.864
91 HA PRO 12 HA PRO 12 1.048 -1.237 -3.410
92 HB2 PRO 12 HB2 PRO 12 3.677 -0.984 -2.924
93 HB3 PRO 12 HB3 PRO 12 2.988 -0.654 -4.517
94 HG2 PRO 12 HG2 PRO 12 3.761 1.269 -2.357
95 HG3 PRO 12 HG3 PRO 12 4.058 1.368 -4.086
96 HD2 PRO 12 HD2 PRO 12 2.035 2.700 -2.860
97 HD3 PRO 12 HD3 PRO 12 1.950 2.156 -4.544
98 H CYS 13 H CYS 13 2.702 -2.459 -1.775
99 HA CYS 13 HA CYS 13 1.613 -1.908 0.868
100 HB2 CYS 13 HB2 CYS 13 2.456 -4.134 1.444
101 HB3 CYS 13 HB3 CYS 13 1.454 -4.192 -0.005
102 H TRP 14 H TRP 14 3.998 -0.543 -0.623
103 HA TRP 14 HA TRP 14 5.842 -0.607 1.642
104 HB2 TRP 14 HB2 TRP 14 7.767 -0.667 -0.045
105 HB3 TRP 14 HB3 TRP 14 6.896 -2.172 0.220
106 HD1 TRP 14 HD1 TRP 14 5.345 -3.052 -1.771
107 HE1 TRP 14 HE1 TRP 14 5.340 -2.547 -4.294
108 HE3 TRP 14 HE3 TRP 14 8.198 1.155 -1.730
109 HZ2 TRP 14 HZ2 TRP 14 6.415 -0.595 -6.039
110 HZ3 TRP 14 HZ3 TRP 14 8.657 2.302 -3.846
111 HH2 TRP 14 HH2 TRP 14 7.783 1.444 -5.964
112 H TYR 15 H TYR 15 5.230 0.892 -1.516
113 HA TYR 15 HA TYR 15 5.676 2.959 -2.338
114 HB2 TYR 15 HB2 TYR 15 4.361 4.752 -1.047
115 HB3 TYR 15 HB3 TYR 15 3.486 3.388 -1.709
116 HD1 TYR 15 HD1 TYR 15 4.467 5.107 1.342
117 HD2 TYR 15 HD2 TYR 15 2.688 1.596 -0.253
118 HE1 TYR 15 HE1 TYR 15 3.574 4.561 3.561
119 HE2 TYR 15 HE2 TYR 15 1.796 1.038 1.945
120 HH TYR 15 HH TYR 15 1.748 3.244 4.535
121 H ARG 16 H ARG 16 7.863 3.079 -2.186
122 HA ARG 16 HA ARG 16 8.910 4.821 -0.058
123 HB2 ARG 16 HB2 ARG 16 10.206 2.370 -1.267
124 HB3 ARG 16 HB3 ARG 16 11.013 3.486 -0.177
125 HG2 ARG 16 HG2 ARG 16 9.708 2.843 1.645
126 HG3 ARG 16 HG3 ARG 16 8.482 2.097 0.618
127 HD2 ARG 16 HD2 ARG 16 10.010 0.327 0.013
128 HD3 ARG 16 HD3 ARG 16 11.311 1.100 0.923
129 HE ARG 16 HE ARG 16 9.355 0.731 2.779
130 HH11 ARG 16 HH11 ARG 16 11.003 -1.382 0.526
131 HH12 ARG 16 HH12 ARG 16 10.863 -2.786 1.542
132 HH21 ARG 16 HH21 ARG 16 9.147 -1.096 4.113
133 HH22 ARG 16 HH22 ARG 16 9.798 -2.621 3.597
Start of MODEL 21
1 H2 PRO 1 HT1 PRO 1 -1.483 -2.249 -7.280
2 H3 PRO 1 HT2 PRO 1 -1.165 -1.433 -8.661
3 HA PRO 1 HA PRO 1 0.672 -2.473 -8.593
4 HB2 PRO 1 HB2 PRO 1 2.128 -1.034 -6.675
5 HB3 PRO 1 HB3 PRO 1 1.971 -0.652 -8.396
6 HG2 PRO 1 HG2 PRO 1 0.915 0.838 -6.272
7 HG3 PRO 1 HG3 PRO 1 0.497 1.007 -7.982
8 HD2 PRO 1 HD2 PRO 1 -0.947 -0.458 -5.810
9 HD3 PRO 1 HD3 PRO 1 -1.605 0.451 -7.183
10 H SER 2 H SER 2 -0.234 -4.403 -7.601
11 HA SER 2 HA SER 2 -0.344 -6.094 -6.108
12 HB2 SER 2 HB2 SER 2 2.367 -5.024 -5.305
13 HB3 SER 2 HB3 SER 2 1.754 -6.646 -4.976
14 HG SER 2 HG SER 2 1.570 -5.935 -7.610
15 H ILE 3 H ILE 3 -2.112 -4.952 -5.020
16 HA ILE 3 HA ILE 3 -1.494 -3.549 -2.570
17 HB ILE 3 HB ILE 3 -4.193 -4.479 -3.536
18 HG12 ILE 3 HG12 ILE 3 -2.925 -1.763 -3.913
19 HG13 ILE 3 HG13 ILE 3 -2.968 -3.002 -5.163
20 HG21 ILE 3 HG21 ILE 3 -5.042 -2.687 -2.074
21 HG22 ILE 3 HG22 ILE 3 -3.392 -2.361 -1.543
22 HG23 ILE 3 HG23 ILE 3 -4.145 -3.912 -1.175
23 HD11 ILE 3 HD11 ILE 3 -5.401 -2.940 -5.146
24 HD12 ILE 3 HD12 ILE 3 -4.719 -1.349 -5.479
25 HD13 ILE 3 HD13 ILE 3 -5.365 -1.715 -3.882
26 H HCS 4 H HCS 4 -0.524 -4.925 -1.210
27 HCA HCS 4 HA HCS 4 -1.277 -7.615 -0.810
28 HB2 HCS 4 HB1 HCS 4 0.307 -5.857 1.063
29 HB3 HCS 4 HB2 HCS 4 0.318 -7.614 1.008
30 HG2 HCS 4 HG1 HCS 4 1.252 -7.508 -1.265
31 HG3 HCS 4 HG2 HCS 4 1.299 -5.759 -1.148
32 H HIS 5 H HIS 5 -1.907 -4.665 0.962
33 HA HIS 5 HA HIS 5 -4.516 -5.209 1.596
34 HB2 HIS 5 HB2 HIS 5 -4.424 -5.584 4.062
35 HB3 HIS 5 HB3 HIS 5 -3.848 -6.946 3.117
36 HD1 HIS 5 HD1 HIS 5 -2.903 -4.750 5.870
37 HD2 HIS 5 HD2 HIS 5 -0.976 -7.219 3.142
38 HE1 HIS 5 HE1 HIS 5 -0.606 -5.144 6.821
39 HE2 HIS 5 HE2 HIS 5 0.468 -6.793 5.247
40 H VAL 6 H VAL 6 -1.979 -3.901 3.635
41 HA VAL 6 HA VAL 6 -1.408 -1.819 4.301
42 HB VAL 6 HB VAL 6 -2.134 -0.529 1.767
43 HG11 VAL 6 HG11 VAL 6 -0.570 0.400 3.437
44 HG12 VAL 6 HG12 VAL 6 0.149 0.210 1.840
45 HG13 VAL 6 HG13 VAL 6 0.522 -0.948 3.119
46 HG21 VAL 6 HG21 VAL 6 -0.490 -1.734 0.415
47 HG22 VAL 6 HG22 VAL 6 -1.814 -2.789 0.913
48 HG23 VAL 6 HG23 VAL 6 -0.254 -2.886 1.731
49 H HIS 7 H HIS 7 -2.273 0.725 3.498
50 HA HIS 7 HA HIS 7 -4.868 0.862 4.818
51 HB2 HIS 7 HB2 HIS 7 -3.179 2.290 5.770
52 HB3 HIS 7 HB3 HIS 7 -2.791 2.965 4.199
53 HD1 HIS 7 HD1 HIS 7 -5.667 2.922 6.674
54 HD2 HIS 7 HD2 HIS 7 -4.141 5.210 3.560
55 HE1 HIS 7 HE1 HIS 7 -7.037 5.031 6.650
56 HE2 HIS 7 HE2 HIS 7 -6.248 6.281 4.606
57 H ARG 8 H ARG 8 -3.364 2.643 2.079
58 HA ARG 8 HA ARG 8 -5.927 3.368 1.046
59 HB2 ARG 8 HB2 ARG 8 -3.283 3.530 -0.403
60 HB3 ARG 8 HB3 ARG 8 -4.735 4.445 -0.748
61 HG2 ARG 8 HG2 ARG 8 -4.371 5.215 1.746
62 HG3 ARG 8 HG3 ARG 8 -2.697 4.847 1.332
63 HD2 ARG 8 HD2 ARG 8 -4.550 6.879 0.180
64 HD3 ARG 8 HD3 ARG 8 -2.904 7.078 0.755
65 HE ARG 8 HE ARG 8 -3.613 5.729 -1.784
66 HH11 ARG 8 HH11 ARG 8 -1.468 7.786 0.108
67 HH12 ARG 8 HH12 ARG 8 -0.435 8.141 -1.238
68 HH21 ARG 8 HH21 ARG 8 -2.279 6.245 -3.549
69 HH22 ARG 8 HH22 ARG 8 -0.895 7.282 -3.309
70 HA PRO 9 HA PRO 9 -6.395 -0.115 -1.663
71 HB2 PRO 9 HB2 PRO 9 -8.544 0.687 -3.009
72 HB3 PRO 9 HB3 PRO 9 -8.616 0.416 -1.265
73 HG2 PRO 9 HG2 PRO 9 -8.511 2.978 -2.775
74 HG3 PRO 9 HG3 PRO 9 -9.344 2.601 -1.258
75 HD2 PRO 9 HD2 PRO 9 -6.828 3.866 -1.548
76 HD3 PRO 9 HD3 PRO 9 -7.557 3.282 -0.043
77 H ASP 10 H ASP 10 -4.837 2.525 -2.614
78 HA ASP 10 HA ASP 10 -4.832 1.746 -5.439
79 HB2 ASP 10 HB2 ASP 10 -4.491 4.031 -6.060
80 HB3 ASP 10 HB3 ASP 10 -5.901 3.963 -5.019
81 H TRP 11 H TRP 11 -2.991 2.219 -2.602
82 HA TRP 11 HA TRP 11 -0.533 2.511 -4.179
83 HB2 TRP 11 HB2 TRP 11 0.518 3.466 -2.266
84 HB3 TRP 11 HB3 TRP 11 -1.070 4.195 -2.384
85 HD1 TRP 11 HD1 TRP 11 -1.848 1.048 -0.850
86 HE1 TRP 11 HE1 TRP 11 -1.896 1.230 1.690
87 HE3 TRP 11 HE3 TRP 11 0.541 5.523 -0.309
88 HZ2 TRP 11 HZ2 TRP 11 -1.027 3.022 3.696
89 HZ3 TRP 11 HZ3 TRP 11 0.895 6.407 1.959
90 HH2 TRP 11 HH2 TRP 11 0.115 5.179 3.925
91 HA PRO 12 HA PRO 12 0.809 -1.576 -3.177
92 HB2 PRO 12 HB2 PRO 12 3.471 -1.349 -2.922
93 HB3 PRO 12 HB3 PRO 12 2.664 -1.069 -4.470
94 HG2 PRO 12 HG2 PRO 12 3.633 0.917 -2.451
95 HG3 PRO 12 HG3 PRO 12 3.799 0.952 -4.204
96 HD2 PRO 12 HD2 PRO 12 1.891 2.357 -2.861
97 HD3 PRO 12 HD3 PRO 12 1.677 1.774 -4.520
98 H CYS 13 H CYS 13 2.762 -2.629 -1.613
99 HA CYS 13 HA CYS 13 1.890 -1.869 1.071
100 HB2 CYS 13 HB2 CYS 13 2.615 -4.061 1.804
101 HB3 CYS 13 HB3 CYS 13 1.519 -4.218 0.436
102 H TRP 14 H TRP 14 4.125 -0.709 -0.695
103 HA TRP 14 HA TRP 14 6.141 -0.679 1.424
104 HB2 TRP 14 HB2 TRP 14 7.914 -0.704 -0.421
105 HB3 TRP 14 HB3 TRP 14 7.107 -2.224 -0.056
106 HD1 TRP 14 HD1 TRP 14 5.448 -3.191 -1.868
107 HE1 TRP 14 HE1 TRP 14 5.214 -2.775 -4.398
108 HE3 TRP 14 HE3 TRP 14 8.091 1.156 -2.200
109 HZ2 TRP 14 HZ2 TRP 14 6.020 -0.833 -6.269
110 HZ3 TRP 14 HZ3 TRP 14 8.294 2.247 -4.393
111 HH2 TRP 14 HH2 TRP 14 7.275 1.272 -6.385
112 H TYR 15 H TYR 15 5.206 0.762 -1.672
113 HA TYR 15 HA TYR 15 5.546 2.826 -2.556
114 HB2 TYR 15 HB2 TYR 15 4.245 4.574 -1.157
115 HB3 TYR 15 HB3 TYR 15 3.392 3.186 -1.810
116 HD1 TYR 15 HD1 TYR 15 4.412 4.906 1.216
117 HD2 TYR 15 HD2 TYR 15 2.781 1.308 -0.346
118 HE1 TYR 15 HE1 TYR 15 3.633 4.288 3.464
119 HE2 TYR 15 HE2 TYR 15 2.007 0.682 1.879
120 HH TYR 15 HH TYR 15 2.462 1.149 4.197
121 H ARG 16 H ARG 16 7.684 3.232 -2.632
122 HA ARG 16 HA ARG 16 8.790 4.918 -0.487
123 HB2 ARG 16 HB2 ARG 16 10.118 2.652 -1.973
124 HB3 ARG 16 HB3 ARG 16 10.990 3.805 -0.972
125 HG2 ARG 16 HG2 ARG 16 10.018 3.022 0.992
126 HG3 ARG 16 HG3 ARG 16 8.705 2.215 0.133
127 HD2 ARG 16 HD2 ARG 16 10.130 0.513 -0.648
128 HD3 ARG 16 HD3 ARG 16 11.578 1.412 -0.183
129 HE ARG 16 HE ARG 16 10.042 0.934 2.111
130 HH11 ARG 16 HH11 ARG 16 11.923 -0.824 -0.251
131 HH12 ARG 16 HH12 ARG 16 12.413 -2.058 0.870
132 HH21 ARG 16 HH21 ARG 16 10.702 -0.672 3.594
133 HH22 ARG 16 HH22 ARG 16 11.728 -1.966 3.058
Start of MODEL 22
1 H2 PRO 1 HT1 PRO 1 -1.805 -1.694 -8.193
2 H3 PRO 1 HT2 PRO 1 -0.691 -1.242 -9.296
3 HA PRO 1 HA PRO 1 0.893 -1.855 -8.085
4 HB2 PRO 1 HB2 PRO 1 0.088 -0.617 -5.543
5 HB3 PRO 1 HB3 PRO 1 1.599 -0.466 -6.452
6 HG2 PRO 1 HG2 PRO 1 -0.216 1.511 -6.417
7 HG3 PRO 1 HG3 PRO 1 0.754 1.153 -7.859
8 HD2 PRO 1 HD2 PRO 1 -2.093 0.444 -7.264
9 HD3 PRO 1 HD3 PRO 1 -1.369 0.998 -8.781
10 H SER 2 H SER 2 1.477 -3.261 -6.225
11 HA SER 2 HA SER 2 -0.480 -5.307 -5.970
12 HB2 SER 2 HB2 SER 2 2.208 -5.020 -4.609
13 HB3 SER 2 HB3 SER 2 1.260 -6.503 -4.732
14 HG SER 2 HG SER 2 1.403 -6.127 -7.093
15 H ILE 3 H ILE 3 -2.203 -4.881 -4.725
16 HA ILE 3 HA ILE 3 -1.908 -3.603 -2.142
17 HB ILE 3 HB ILE 3 -4.380 -4.908 -3.256
18 HG12 ILE 3 HG12 ILE 3 -3.569 -2.008 -3.478
19 HG13 ILE 3 HG13 ILE 3 -3.473 -3.170 -4.800
20 HG21 ILE 3 HG21 ILE 3 -4.491 -4.481 -0.887
21 HG22 ILE 3 HG22 ILE 3 -5.532 -3.337 -1.736
22 HG23 ILE 3 HG23 ILE 3 -3.959 -2.817 -1.132
23 HD11 ILE 3 HD11 ILE 3 -5.985 -2.310 -3.384
24 HD12 ILE 3 HD12 ILE 3 -5.890 -3.483 -4.700
25 HD13 ILE 3 HD13 ILE 3 -5.462 -1.799 -4.988
26 H HCS 4 H HCS 4 -0.755 -4.958 -0.878
27 HCA HCS 4 HA HCS 4 -1.390 -7.764 -0.699
28 HB2 HCS 4 HB1 HCS 4 0.489 -6.146 1.022
29 HB3 HCS 4 HB2 HCS 4 0.482 -7.891 0.827
30 HG2 HCS 4 HG1 HCS 4 1.124 -7.636 -1.506
31 HG3 HCS 4 HG2 HCS 4 1.114 -5.888 -1.321
32 H HIS 5 H HIS 5 -1.504 -4.959 1.391
33 HA HIS 5 HA HIS 5 -3.836 -5.435 2.738
34 HB2 HIS 5 HB2 HIS 5 -3.051 -6.229 4.974
35 HB3 HIS 5 HB3 HIS 5 -2.951 -7.450 3.722
36 HD1 HIS 5 HD1 HIS 5 -0.944 -5.717 6.258
37 HD2 HIS 5 HD2 HIS 5 -0.275 -7.996 2.854
38 HE1 HIS 5 HE1 HIS 5 1.449 -6.476 6.413
39 HE2 HIS 5 HE2 HIS 5 1.779 -7.986 4.424
40 H VAL 6 H VAL 6 -3.478 -3.233 2.061
41 HA VAL 6 HA VAL 6 -1.697 -1.726 3.855
42 HB VAL 6 HB VAL 6 -2.182 -0.413 1.308
43 HG11 VAL 6 HG11 VAL 6 -0.515 0.347 2.861
44 HG12 VAL 6 HG12 VAL 6 0.273 -0.193 1.377
45 HG13 VAL 6 HG13 VAL 6 0.298 -1.220 2.812
46 HG21 VAL 6 HG21 VAL 6 -0.689 -3.034 1.238
47 HG22 VAL 6 HG22 VAL 6 -0.767 -1.849 -0.067
48 HG23 VAL 6 HG23 VAL 6 -2.227 -2.696 0.441
49 H HIS 7 H HIS 7 -2.295 0.672 3.878
50 HA HIS 7 HA HIS 7 -4.940 1.066 4.702
51 HB2 HIS 7 HB2 HIS 7 -3.205 2.533 5.501
52 HB3 HIS 7 HB3 HIS 7 -2.802 3.024 3.863
53 HD1 HIS 7 HD1 HIS 7 -5.497 3.503 6.470
54 HD2 HIS 7 HD2 HIS 7 -4.219 5.130 2.860
55 HE1 HIS 7 HE1 HIS 7 -6.834 5.615 6.165
56 HE2 HIS 7 HE2 HIS 7 -6.150 6.499 3.910
57 H ARG 8 H ARG 8 -3.391 2.414 1.764
58 HA ARG 8 HA ARG 8 -5.947 3.134 0.675
59 HB2 ARG 8 HB2 ARG 8 -3.280 3.076 -0.714
60 HB3 ARG 8 HB3 ARG 8 -4.713 3.891 -1.267
61 HG2 ARG 8 HG2 ARG 8 -4.571 5.378 0.715
62 HG3 ARG 8 HG3 ARG 8 -3.016 4.616 1.092
63 HD2 ARG 8 HD2 ARG 8 -2.096 5.289 -0.984
64 HD3 ARG 8 HD3 ARG 8 -3.662 5.859 -1.549
65 HE ARG 8 HE ARG 8 -2.914 7.265 0.772
66 HH11 ARG 8 HH11 ARG 8 -2.172 6.973 -2.653
67 HH12 ARG 8 HH12 ARG 8 -1.521 8.586 -2.766
68 HH21 ARG 8 HH21 ARG 8 -2.079 9.385 0.610
69 HH22 ARG 8 HH22 ARG 8 -1.484 9.955 -0.913
70 HA PRO 9 HA PRO 9 -6.076 -0.377 -2.182
71 HB2 PRO 9 HB2 PRO 9 -8.236 0.369 -3.569
72 HB3 PRO 9 HB3 PRO 9 -8.376 -0.156 -1.889
73 HG2 PRO 9 HG2 PRO 9 -8.601 2.554 -3.031
74 HG3 PRO 9 HG3 PRO 9 -9.288 1.908 -1.532
75 HD2 PRO 9 HD2 PRO 9 -6.887 3.466 -1.869
76 HD3 PRO 9 HD3 PRO 9 -7.582 2.848 -0.367
77 H ASP 10 H ASP 10 -4.785 2.428 -2.581
78 HA ASP 10 HA ASP 10 -4.822 2.606 -5.512
79 HB2 ASP 10 HB2 ASP 10 -5.595 4.669 -4.903
80 HB3 ASP 10 HB3 ASP 10 -4.864 4.592 -3.310
81 H TRP 11 H TRP 11 -2.866 2.097 -2.743
82 HA TRP 11 HA TRP 11 -0.447 2.555 -4.336
83 HB2 TRP 11 HB2 TRP 11 0.655 3.426 -2.404
84 HB3 TRP 11 HB3 TRP 11 -0.897 4.219 -2.526
85 HD1 TRP 11 HD1 TRP 11 -1.796 1.071 -1.018
86 HE1 TRP 11 HE1 TRP 11 -1.892 1.270 1.528
87 HE3 TRP 11 HE3 TRP 11 0.757 5.440 -0.454
88 HZ2 TRP 11 HZ2 TRP 11 -1.007 3.054 3.534
89 HZ3 TRP 11 HZ3 TRP 11 1.092 6.331 1.810
90 HH2 TRP 11 HH2 TRP 11 0.224 5.152 3.757
91 HA PRO 12 HA PRO 12 0.818 -1.572 -3.335
92 HB2 PRO 12 HB2 PRO 12 3.475 -1.429 -3.069
93 HB3 PRO 12 HB3 PRO 12 2.691 -1.062 -4.611
94 HG2 PRO 12 HG2 PRO 12 3.675 0.826 -2.503
95 HG3 PRO 12 HG3 PRO 12 3.904 0.908 -4.241
96 HD2 PRO 12 HD2 PRO 12 2.001 2.329 -2.929
97 HD3 PRO 12 HD3 PRO 12 1.819 1.794 -4.611
98 H CYS 13 H CYS 13 2.661 -2.708 -1.773
99 HA CYS 13 HA CYS 13 1.752 -2.038 0.915
100 HB2 CYS 13 HB2 CYS 13 2.570 -4.273 1.522
101 HB3 CYS 13 HB3 CYS 13 1.423 -4.334 0.188
102 H TRP 14 H TRP 14 4.026 -0.774 -0.747
103 HA TRP 14 HA TRP 14 6.012 -0.818 1.393
104 HB2 TRP 14 HB2 TRP 14 7.823 -0.838 -0.408
105 HB3 TRP 14 HB3 TRP 14 6.987 -2.355 -0.093
106 HD1 TRP 14 HD1 TRP 14 5.357 -3.262 -1.998
107 HE1 TRP 14 HE1 TRP 14 5.227 -2.795 -4.525
108 HE3 TRP 14 HE3 TRP 14 8.113 1.016 -2.145
109 HZ2 TRP 14 HZ2 TRP 14 6.150 -0.831 -6.337
110 HZ3 TRP 14 HZ3 TRP 14 8.427 2.147 -4.297
111 HH2 TRP 14 HH2 TRP 14 7.463 1.239 -6.348
112 H TYR 15 H TYR 15 5.206 0.697 -1.707
113 HA TYR 15 HA TYR 15 5.607 2.775 -2.530
114 HB2 TYR 15 HB2 TYR 15 4.310 4.524 -1.165
115 HB3 TYR 15 HB3 TYR 15 3.435 3.142 -1.807
116 HD1 TYR 15 HD1 TYR 15 4.622 4.775 1.251
117 HD2 TYR 15 HD2 TYR 15 2.667 1.369 -0.368
118 HE1 TYR 15 HE1 TYR 15 3.861 4.152 3.495
119 HE2 TYR 15 HE2 TYR 15 1.912 0.743 1.858
120 HH TYR 15 HH TYR 15 2.161 2.859 4.564
121 H ARG 16 H ARG 16 7.701 3.257 -2.596
122 HA ARG 16 HA ARG 16 8.878 4.579 -0.246
123 HB2 ARG 16 HB2 ARG 16 10.147 2.649 -2.190
124 HB3 ARG 16 HB3 ARG 16 11.054 3.588 -1.010
125 HG2 ARG 16 HG2 ARG 16 10.140 2.429 0.795
126 HG3 ARG 16 HG3 ARG 16 8.796 1.799 -0.166
127 HD2 ARG 16 HD2 ARG 16 10.557 0.114 0.379
128 HD3 ARG 16 HD3 ARG 16 10.271 0.317 -1.348
129 HE ARG 16 HE ARG 16 12.465 1.810 -0.101
130 HH11 ARG 16 HH11 ARG 16 11.441 -0.838 -2.143
131 HH12 ARG 16 HH12 ARG 16 12.989 -1.026 -2.898
132 HH21 ARG 16 HH21 ARG 16 14.506 1.579 -1.084
133 HH22 ARG 16 HH22 ARG 16 14.741 0.363 -2.302
Start of MODEL 23
1 H2 PRO 1 HT1 PRO 1 -1.905 -1.419 -8.179
2 H3 PRO 1 HT2 PRO 1 -0.770 -0.796 -9.173
3 HA PRO 1 HA PRO 1 0.659 -2.037 -8.306
4 HB2 PRO 1 HB2 PRO 1 0.513 -1.203 -5.522
5 HB3 PRO 1 HB3 PRO 1 1.818 -0.970 -6.694
6 HG2 PRO 1 HG2 PRO 1 0.239 1.061 -5.831
7 HG3 PRO 1 HG3 PRO 1 0.964 1.015 -7.450
8 HD2 PRO 1 HD2 PRO 1 -1.834 0.336 -6.600
9 HD3 PRO 1 HD3 PRO 1 -1.281 1.250 -8.014
10 H SER 2 H SER 2 1.134 -3.659 -6.427
11 HA SER 2 HA SER 2 -1.208 -5.307 -6.150
12 HB2 SER 2 HB2 SER 2 1.631 -5.710 -5.181
13 HB3 SER 2 HB3 SER 2 0.361 -6.936 -5.159
14 HG SER 2 HG SER 2 0.284 -6.236 -7.571
15 H ILE 3 H ILE 3 -2.618 -4.962 -4.597
16 HA ILE 3 HA ILE 3 -1.888 -3.692 -2.103
17 HB ILE 3 HB ILE 3 -4.542 -4.928 -2.847
18 HG12 ILE 3 HG12 ILE 3 -3.682 -2.046 -3.152
19 HG13 ILE 3 HG13 ILE 3 -3.781 -3.198 -4.483
20 HG21 ILE 3 HG21 ILE 3 -3.838 -2.809 -0.819
21 HG22 ILE 3 HG22 ILE 3 -4.220 -4.491 -0.457
22 HG23 ILE 3 HG23 ILE 3 -5.451 -3.433 -1.150
23 HD11 ILE 3 HD11 ILE 3 -6.082 -2.341 -2.747
24 HD12 ILE 3 HD12 ILE 3 -6.162 -3.436 -4.131
25 HD13 ILE 3 HD13 ILE 3 -5.733 -1.742 -4.369
26 H HCS 4 H HCS 4 -0.694 -4.972 -0.847
27 HCA HCS 4 HA HCS 4 -1.130 -7.784 -0.597
28 HB2 HCS 4 HB1 HCS 4 0.533 -5.947 1.133
29 HB3 HCS 4 HB2 HCS 4 0.641 -7.700 1.085
30 HG2 HCS 4 HG1 HCS 4 1.321 -7.538 -1.297
31 HG3 HCS 4 HG2 HCS 4 1.320 -5.789 -1.142
32 H HIS 5 H HIS 5 -1.514 -5.044 1.612
33 HA HIS 5 HA HIS 5 -4.016 -5.705 2.604
34 HB2 HIS 5 HB2 HIS 5 -3.536 -6.579 4.846
35 HB3 HIS 5 HB3 HIS 5 -2.927 -7.671 3.611
36 HD1 HIS 5 HD1 HIS 5 -1.912 -5.860 6.602
37 HD2 HIS 5 HD2 HIS 5 -0.057 -7.564 3.302
38 HE1 HIS 5 HE1 HIS 5 0.509 -6.099 7.236
39 HE2 HIS 5 HE2 HIS 5 1.577 -7.295 5.290
40 H VAL 6 H VAL 6 -2.955 -3.492 1.720
41 HA VAL 6 HA VAL 6 -1.710 -1.953 3.864
42 HB VAL 6 HB VAL 6 -2.063 -0.583 1.315
43 HG11 VAL 6 HG11 VAL 6 -0.582 0.227 3.055
44 HG12 VAL 6 HG12 VAL 6 0.334 -0.170 1.600
45 HG13 VAL 6 HG13 VAL 6 0.353 -1.268 2.980
46 HG21 VAL 6 HG21 VAL 6 -0.454 -3.133 1.350
47 HG22 VAL 6 HG22 VAL 6 -0.393 -1.908 0.082
48 HG23 VAL 6 HG23 VAL 6 -1.884 -2.803 0.372
49 H HIS 7 H HIS 7 -2.326 0.447 3.843
50 HA HIS 7 HA HIS 7 -5.036 0.735 4.533
51 HB2 HIS 7 HB2 HIS 7 -3.322 2.104 5.557
52 HB3 HIS 7 HB3 HIS 7 -2.901 2.799 4.002
53 HD1 HIS 7 HD1 HIS 7 -5.650 2.871 6.588
54 HD2 HIS 7 HD2 HIS 7 -4.338 4.981 3.261
55 HE1 HIS 7 HE1 HIS 7 -6.991 4.999 6.567
56 HE2 HIS 7 HE2 HIS 7 -6.040 6.338 4.662
57 H ARG 8 H ARG 8 -3.368 2.555 1.901
58 HA ARG 8 HA ARG 8 -5.880 3.177 0.686
59 HB2 ARG 8 HB2 ARG 8 -3.165 3.428 -0.602
60 HB3 ARG 8 HB3 ARG 8 -4.624 4.305 -1.021
61 HG2 ARG 8 HG2 ARG 8 -4.488 5.183 1.406
62 HG3 ARG 8 HG3 ARG 8 -2.805 4.661 1.304
63 HD2 ARG 8 HD2 ARG 8 -4.210 6.620 -0.491
64 HD3 ARG 8 HD3 ARG 8 -2.984 6.986 0.714
65 HE ARG 8 HE ARG 8 -1.494 5.536 -0.754
66 HH11 ARG 8 HH11 ARG 8 -4.135 7.469 -1.984
67 HH12 ARG 8 HH12 ARG 8 -3.389 7.740 -3.525
68 HH21 ARG 8 HH21 ARG 8 -0.493 5.917 -2.788
69 HH22 ARG 8 HH22 ARG 8 -1.342 6.832 -3.994
70 HA PRO 9 HA PRO 9 -5.910 -0.225 -2.207
71 HB2 PRO 9 HB2 PRO 9 -7.974 0.581 -3.723
72 HB3 PRO 9 HB3 PRO 9 -8.203 0.069 -2.047
73 HG2 PRO 9 HG2 PRO 9 -8.264 2.785 -3.215
74 HG3 PRO 9 HG3 PRO 9 -9.093 2.164 -1.781
75 HD2 PRO 9 HD2 PRO 9 -6.674 3.675 -1.882
76 HD3 PRO 9 HD3 PRO 9 -7.444 2.967 -0.452
77 H ASP 10 H ASP 10 -4.940 2.887 -2.824
78 HA ASP 10 HA ASP 10 -4.549 2.571 -5.698
79 HB2 ASP 10 HB2 ASP 10 -3.924 4.951 -3.940
80 HB3 ASP 10 HB3 ASP 10 -3.967 4.919 -5.696
81 H TRP 11 H TRP 11 -2.837 2.189 -2.767
82 HA TRP 11 HA TRP 11 -0.297 2.592 -4.179
83 HB2 TRP 11 HB2 TRP 11 0.696 3.429 -2.195
84 HB3 TRP 11 HB3 TRP 11 -0.853 4.221 -2.346
85 HD1 TRP 11 HD1 TRP 11 -1.725 1.005 -0.933
86 HE1 TRP 11 HE1 TRP 11 -1.893 1.141 1.609
87 HE3 TRP 11 HE3 TRP 11 0.621 5.473 -0.194
88 HZ2 TRP 11 HZ2 TRP 11 -1.122 2.897 3.684
89 HZ3 TRP 11 HZ3 TRP 11 0.858 6.318 2.098
90 HH2 TRP 11 HH2 TRP 11 0.010 5.044 3.995
91 HA PRO 12 HA PRO 12 0.880 -1.561 -3.199
92 HB2 PRO 12 HB2 PRO 12 3.528 -1.415 -2.953
93 HB3 PRO 12 HB3 PRO 12 2.747 -1.024 -4.490
94 HG2 PRO 12 HG2 PRO 12 3.711 0.832 -2.342
95 HG3 PRO 12 HG3 PRO 12 3.973 0.930 -4.081
96 HD2 PRO 12 HD2 PRO 12 2.051 2.341 -2.794
97 HD3 PRO 12 HD3 PRO 12 1.885 1.810 -4.477
98 H CYS 13 H CYS 13 2.801 -2.631 -1.626
99 HA CYS 13 HA CYS 13 1.866 -1.937 1.049
100 HB2 CYS 13 HB2 CYS 13 2.716 -4.127 1.720
101 HB3 CYS 13 HB3 CYS 13 1.599 -4.260 0.366
102 H TRP 14 H TRP 14 4.112 -0.647 -0.629
103 HA TRP 14 HA TRP 14 6.088 -0.612 1.528
104 HB2 TRP 14 HB2 TRP 14 7.906 -0.622 -0.266
105 HB3 TRP 14 HB3 TRP 14 7.094 -2.151 0.044
106 HD1 TRP 14 HD1 TRP 14 5.496 -3.093 -1.843
107 HE1 TRP 14 HE1 TRP 14 5.315 -2.601 -4.362
108 HE3 TRP 14 HE3 TRP 14 8.137 1.260 -1.980
109 HZ2 TRP 14 HZ2 TRP 14 6.182 -0.604 -6.170
110 HZ3 TRP 14 HZ3 TRP 14 8.406 2.413 -4.125
111 HH2 TRP 14 HH2 TRP 14 7.446 1.499 -6.182
112 H TYR 15 H TYR 15 5.155 0.851 -1.564
113 HA TYR 15 HA TYR 15 5.439 2.934 -2.424
114 HB2 TYR 15 HB2 TYR 15 4.240 4.686 -0.941
115 HB3 TYR 15 HB3 TYR 15 3.327 3.341 -1.612
116 HD1 TYR 15 HD1 TYR 15 4.533 4.906 1.455
117 HD2 TYR 15 HD2 TYR 15 2.678 1.464 -0.210
118 HE1 TYR 15 HE1 TYR 15 3.828 4.205 3.704
119 HE2 TYR 15 HE2 TYR 15 1.969 0.760 2.004
120 HH TYR 15 HH TYR 15 2.508 1.084 4.326
121 H ARG 16 H ARG 16 7.545 3.380 -2.602
122 HA ARG 16 HA ARG 16 8.744 5.073 -0.534
123 HB2 ARG 16 HB2 ARG 16 10.083 2.673 -1.789
124 HB3 ARG 16 HB3 ARG 16 10.846 3.806 -0.685
125 HG2 ARG 16 HG2 ARG 16 9.484 3.082 1.132
126 HG3 ARG 16 HG3 ARG 16 8.450 2.147 0.054
127 HD2 ARG 16 HD2 ARG 16 10.154 0.829 1.385
128 HD3 ARG 16 HD3 ARG 16 10.124 0.548 -0.359
129 HE ARG 16 HE ARG 16 12.082 2.088 -0.466
130 HH11 ARG 16 HH11 ARG 16 11.350 0.460 2.556
131 HH12 ARG 16 HH12 ARG 16 12.995 0.483 3.100
132 HH21 ARG 16 HH21 ARG 16 14.246 2.092 0.250
133 HH22 ARG 16 HH22 ARG 16 14.640 1.394 1.789
Start of MODEL 24
1 H2 PRO 1 HT1 PRO 1 -2.040 -0.840 -7.048
2 H3 PRO 1 HT2 PRO 1 -1.696 -0.692 -8.634
3 HA PRO 1 HA PRO 1 -0.098 -2.062 -8.579
4 HB2 PRO 1 HB2 PRO 1 1.298 -1.782 -6.151
5 HB3 PRO 1 HB3 PRO 1 1.776 -1.150 -7.733
6 HG2 PRO 1 HG2 PRO 1 0.386 0.204 -5.499
7 HG3 PRO 1 HG3 PRO 1 1.491 0.875 -6.708
8 HD2 PRO 1 HD2 PRO 1 -1.151 1.337 -6.812
9 HD3 PRO 1 HD3 PRO 1 -0.188 1.134 -8.287
10 H SER 2 H SER 2 0.836 -3.854 -6.948
11 HA SER 2 HA SER 2 -1.377 -5.408 -6.231
12 HB2 SER 2 HB2 SER 2 1.504 -5.726 -5.382
13 HB3 SER 2 HB3 SER 2 0.261 -6.974 -5.304
14 HG SER 2 HG SER 2 1.641 -7.057 -7.189
15 H ILE 3 H ILE 3 -2.677 -5.179 -4.581
16 HA ILE 3 HA ILE 3 -1.821 -3.806 -2.168
17 HB ILE 3 HB ILE 3 -4.506 -5.060 -2.745
18 HG12 ILE 3 HG12 ILE 3 -3.679 -2.172 -3.100
19 HG13 ILE 3 HG13 ILE 3 -3.900 -3.316 -4.420
20 HG21 ILE 3 HG21 ILE 3 -3.657 -2.969 -0.747
21 HG22 ILE 3 HG22 ILE 3 -4.071 -4.646 -0.392
22 HG23 ILE 3 HG23 ILE 3 -5.305 -3.546 -1.001
23 HD11 ILE 3 HD11 ILE 3 -6.017 -2.402 -2.494
24 HD12 ILE 3 HD12 ILE 3 -6.248 -3.574 -3.790
25 HD13 ILE 3 HD13 ILE 3 -5.851 -1.898 -4.176
26 H HCS 4 H HCS 4 -0.528 -5.099 -1.002
27 HCA HCS 4 HA HCS 4 -1.015 -7.890 -0.605
28 HB2 HCS 4 HB1 HCS 4 0.741 -6.100 1.069
29 HB3 HCS 4 HB2 HCS 4 0.872 -7.839 0.876
30 HG2 HCS 4 HG1 HCS 4 1.471 -7.517 -1.474
31 HG3 HCS 4 HG2 HCS 4 1.378 -5.778 -1.252
32 H HIS 5 H HIS 5 -1.094 -5.081 1.500
33 HA HIS 5 HA HIS 5 -3.524 -5.541 2.705
34 HB2 HIS 5 HB2 HIS 5 -2.880 -6.314 4.975
35 HB3 HIS 5 HB3 HIS 5 -2.607 -7.532 3.743
36 HD1 HIS 5 HD1 HIS 5 -0.929 -5.708 6.437
37 HD2 HIS 5 HD2 HIS 5 0.185 -7.917 3.105
38 HE1 HIS 5 HE1 HIS 5 1.471 -6.336 6.820
39 HE2 HIS 5 HE2 HIS 5 2.183 -7.466 4.687
40 H VAL 6 H VAL 6 -3.400 -3.347 2.140
41 HA VAL 6 HA VAL 6 -1.683 -1.729 3.895
42 HB VAL 6 HB VAL 6 -2.159 -0.468 1.319
43 HG11 VAL 6 HG11 VAL 6 0.233 -0.014 1.494
44 HG12 VAL 6 HG12 VAL 6 0.341 -1.096 2.883
45 HG13 VAL 6 HG13 VAL 6 -0.615 0.384 2.988
46 HG21 VAL 6 HG21 VAL 6 -2.007 -2.765 0.496
47 HG22 VAL 6 HG22 VAL 6 -0.476 -2.966 1.343
48 HG23 VAL 6 HG23 VAL 6 -0.604 -1.808 0.018
49 H HIS 7 H HIS 7 -2.367 0.678 3.704
50 HA HIS 7 HA HIS 7 -5.074 0.914 4.498
51 HB2 HIS 7 HB2 HIS 7 -3.390 2.353 5.445
52 HB3 HIS 7 HB3 HIS 7 -2.967 2.971 3.859
53 HD1 HIS 7 HD1 HIS 7 -5.751 3.145 6.401
54 HD2 HIS 7 HD2 HIS 7 -4.399 5.134 3.013
55 HE1 HIS 7 HE1 HIS 7 -7.118 5.247 6.263
56 HE2 HIS 7 HE2 HIS 7 -6.174 6.512 4.299
57 H ARG 8 H ARG 8 -3.490 2.702 1.807
58 HA ARG 8 HA ARG 8 -5.992 3.306 0.589
59 HB2 ARG 8 HB2 ARG 8 -3.286 3.394 -0.739
60 HB3 ARG 8 HB3 ARG 8 -4.727 4.266 -1.215
61 HG2 ARG 8 HG2 ARG 8 -4.585 5.503 0.961
62 HG3 ARG 8 HG3 ARG 8 -3.000 4.740 1.179
63 HD2 ARG 8 HD2 ARG 8 -2.252 5.680 -0.936
64 HD3 ARG 8 HD3 ARG 8 -3.826 6.441 -1.150
65 HE ARG 8 HE ARG 8 -3.019 7.448 1.208
66 HH11 ARG 8 HH11 ARG 8 -1.428 7.189 -1.908
67 HH12 ARG 8 HH12 ARG 8 -0.431 8.584 -1.651
68 HH21 ARG 8 HH21 ARG 8 -1.697 9.297 1.531
69 HH22 ARG 8 HH22 ARG 8 -0.580 9.770 0.290
70 HA PRO 9 HA PRO 9 -6.095 -0.238 -2.134
71 HB2 PRO 9 HB2 PRO 9 -8.125 0.515 -3.710
72 HB3 PRO 9 HB3 PRO 9 -8.380 0.101 -2.014
73 HG2 PRO 9 HG2 PRO 9 -8.389 2.753 -3.323
74 HG3 PRO 9 HG3 PRO 9 -9.233 2.213 -1.861
75 HD2 PRO 9 HD2 PRO 9 -6.791 3.684 -2.032
76 HD3 PRO 9 HD3 PRO 9 -7.580 3.071 -0.572
77 H ASP 10 H ASP 10 -4.907 2.724 -2.884
78 HA ASP 10 HA ASP 10 -4.605 2.188 -5.751
79 HB2 ASP 10 HB2 ASP 10 -4.451 4.757 -4.173
80 HB3 ASP 10 HB3 ASP 10 -4.005 4.628 -5.869
81 H TRP 11 H TRP 11 -2.888 2.192 -2.825
82 HA TRP 11 HA TRP 11 -0.378 2.617 -4.284
83 HB2 TRP 11 HB2 TRP 11 0.609 3.529 -2.317
84 HB3 TRP 11 HB3 TRP 11 -0.964 4.271 -2.490
85 HD1 TRP 11 HD1 TRP 11 -1.820 1.100 -0.995
86 HE1 TRP 11 HE1 TRP 11 -1.979 1.297 1.546
87 HE3 TRP 11 HE3 TRP 11 0.581 5.563 -0.372
88 HZ2 TRP 11 HZ2 TRP 11 -1.180 3.104 3.578
89 HZ3 TRP 11 HZ3 TRP 11 0.844 6.455 1.901
90 HH2 TRP 11 HH2 TRP 11 -0.023 5.245 3.834
91 HA PRO 12 HA PRO 12 0.874 -1.492 -3.277
92 HB2 PRO 12 HB2 PRO 12 3.526 -1.308 -2.976
93 HB3 PRO 12 HB3 PRO 12 2.758 -0.976 -4.534
94 HG2 PRO 12 HG2 PRO 12 3.723 0.947 -2.451
95 HG3 PRO 12 HG3 PRO 12 3.923 1.015 -4.199
96 HD2 PRO 12 HD2 PRO 12 2.011 2.414 -2.848
97 HD3 PRO 12 HD3 PRO 12 1.843 1.904 -4.537
98 H CYS 13 H CYS 13 2.768 -2.567 -1.688
99 HA CYS 13 HA CYS 13 1.750 -1.944 0.976
100 HB2 CYS 13 HB2 CYS 13 2.610 -4.144 1.595
101 HB3 CYS 13 HB3 CYS 13 1.572 -4.250 0.177
102 H TRP 14 H TRP 14 4.060 -0.634 -0.661
103 HA TRP 14 HA TRP 14 5.987 -0.631 1.533
104 HB2 TRP 14 HB2 TRP 14 7.837 -0.683 -0.232
105 HB3 TRP 14 HB3 TRP 14 6.999 -2.194 0.086
106 HD1 TRP 14 HD1 TRP 14 5.379 -3.126 -1.856
107 HE1 TRP 14 HE1 TRP 14 5.294 -2.657 -4.380
108 HE3 TRP 14 HE3 TRP 14 8.177 1.138 -1.972
109 HZ2 TRP 14 HZ2 TRP 14 6.265 -0.717 -6.179
110 HZ3 TRP 14 HZ3 TRP 14 8.534 2.252 -4.127
111 HH2 TRP 14 HH2 TRP 14 7.594 1.342 -6.188
112 H TYR 15 H TYR 15 5.237 0.835 -1.612
113 HA TYR 15 HA TYR 15 5.669 2.906 -2.456
114 HB2 TYR 15 HB2 TYR 15 4.335 4.674 -1.158
115 HB3 TYR 15 HB3 TYR 15 3.477 3.292 -1.809
116 HD1 TYR 15 HD1 TYR 15 4.378 5.075 1.231
117 HD2 TYR 15 HD2 TYR 15 2.799 1.453 -0.328
118 HE1 TYR 15 HE1 TYR 15 3.479 4.515 3.451
119 HE2 TYR 15 HE2 TYR 15 1.904 0.884 1.863
120 HH TYR 15 HH TYR 15 2.314 1.423 4.233
121 H ARG 16 H ARG 16 7.902 2.993 -2.230
122 HA ARG 16 HA ARG 16 8.860 4.750 -0.072
123 HB2 ARG 16 HB2 ARG 16 10.274 2.442 -1.413
124 HB3 ARG 16 HB3 ARG 16 11.016 3.521 -0.240
125 HG2 ARG 16 HG2 ARG 16 9.769 2.676 1.518
126 HG3 ARG 16 HG3 ARG 16 8.532 2.010 0.450
127 HD2 ARG 16 HD2 ARG 16 10.077 0.317 -0.326
128 HD3 ARG 16 HD3 ARG 16 11.371 1.010 0.651
129 HE ARG 16 HE ARG 16 9.546 0.478 2.521
130 HH11 ARG 16 HH11 ARG 16 10.699 -1.486 -0.137
131 HH12 ARG 16 HH12 ARG 16 10.495 -2.983 0.716
132 HH21 ARG 16 HH21 ARG 16 9.263 -1.495 3.644
133 HH22 ARG 16 HH22 ARG 16 9.660 -2.991 2.853
Start of MODEL 25
1 H2 PRO 1 HT1 PRO 1 -3.082 -1.735 -7.657
2 H3 PRO 1 HT2 PRO 1 -2.240 -1.086 -8.893
3 HA PRO 1 HA PRO 1 -0.591 -2.259 -8.384
4 HB2 PRO 1 HB2 PRO 1 -0.151 -1.407 -5.632
5 HB3 PRO 1 HB3 PRO 1 0.865 -1.162 -7.062
6 HG2 PRO 1 HG2 PRO 1 -0.524 0.858 -5.916
7 HG3 PRO 1 HG3 PRO 1 -0.210 0.781 -7.659
8 HD2 PRO 1 HD2 PRO 1 -2.702 0.047 -6.147
9 HD3 PRO 1 HD3 PRO 1 -2.532 0.958 -7.660
10 H SER 2 H SER 2 0.350 -3.886 -6.731
11 HA SER 2 HA SER 2 -1.737 -5.698 -6.067
12 HB2 SER 2 HB2 SER 2 1.208 -5.810 -5.371
13 HB3 SER 2 HB3 SER 2 0.072 -7.152 -5.259
14 HG SER 2 HG SER 2 0.716 -5.752 -7.650
15 H ILE 3 H ILE 3 -3.065 -5.081 -4.454
16 HA ILE 3 HA ILE 3 -2.129 -3.803 -2.073
17 HB ILE 3 HB ILE 3 -4.792 -5.132 -2.506
18 HG12 ILE 3 HG12 ILE 3 -4.049 -2.244 -2.972
19 HG13 ILE 3 HG13 ILE 3 -4.243 -3.434 -4.255
20 HG21 ILE 3 HG21 ILE 3 -3.953 -2.939 -0.616
21 HG22 ILE 3 HG22 ILE 3 -4.238 -4.621 -0.177
22 HG23 ILE 3 HG23 ILE 3 -5.570 -3.628 -0.762
23 HD11 ILE 3 HD11 ILE 3 -6.390 -2.557 -2.337
24 HD12 ILE 3 HD12 ILE 3 -6.580 -3.719 -3.653
25 HD13 ILE 3 HD13 ILE 3 -6.216 -2.027 -4.009
26 H HCS 4 H HCS 4 -0.686 -5.083 -1.019
27 HCA HCS 4 HA HCS 4 -1.099 -7.838 -0.492
28 HB2 HCS 4 HB1 HCS 4 0.645 -5.907 1.046
29 HB3 HCS 4 HB2 HCS 4 0.767 -7.659 1.063
30 HG2 HCS 4 HG1 HCS 4 1.317 -7.589 -1.354
31 HG3 HCS 4 HG2 HCS 4 1.332 -5.835 -1.262
32 H HIS 5 H HIS 5 -1.252 -5.002 1.606
33 HA HIS 5 HA HIS 5 -3.702 -5.536 2.791
34 HB2 HIS 5 HB2 HIS 5 -3.051 -6.292 5.051
35 HB3 HIS 5 HB3 HIS 5 -2.677 -7.486 3.821
36 HD1 HIS 5 HD1 HIS 5 -1.175 -5.626 6.574
37 HD2 HIS 5 HD2 HIS 5 0.131 -7.677 3.212
38 HE1 HIS 5 HE1 HIS 5 1.272 -6.064 6.963
39 HE2 HIS 5 HE2 HIS 5 1.971 -7.506 5.020
40 H VAL 6 H VAL 6 -2.822 -3.370 1.785
41 HA VAL 6 HA VAL 6 -1.408 -1.760 3.782
42 HB VAL 6 HB VAL 6 -1.901 -0.442 1.231
43 HG11 VAL 6 HG11 VAL 6 0.545 -0.102 1.353
44 HG12 VAL 6 HG12 VAL 6 0.581 -1.116 2.801
45 HG13 VAL 6 HG13 VAL 6 -0.311 0.410 2.808
46 HG21 VAL 6 HG21 VAL 6 -1.791 -2.705 0.332
47 HG22 VAL 6 HG22 VAL 6 -0.269 -2.975 1.179
48 HG23 VAL 6 HG23 VAL 6 -0.360 -1.775 -0.112
49 H HIS 7 H HIS 7 -2.086 0.655 3.698
50 HA HIS 7 HA HIS 7 -4.794 0.932 4.459
51 HB2 HIS 7 HB2 HIS 7 -3.123 2.431 5.373
52 HB3 HIS 7 HB3 HIS 7 -2.695 2.996 3.765
53 HD1 HIS 7 HD1 HIS 7 -5.602 3.162 6.204
54 HD2 HIS 7 HD2 HIS 7 -4.046 5.179 2.920
55 HE1 HIS 7 HE1 HIS 7 -6.980 5.252 5.984
56 HE2 HIS 7 HE2 HIS 7 -6.107 6.391 3.913
57 H ARG 8 H ARG 8 -3.187 2.624 1.724
58 HA ARG 8 HA ARG 8 -5.706 3.143 0.471
59 HB2 ARG 8 HB2 ARG 8 -2.982 3.357 -0.802
60 HB3 ARG 8 HB3 ARG 8 -4.447 4.169 -1.304
61 HG2 ARG 8 HG2 ARG 8 -4.389 5.403 0.884
62 HG3 ARG 8 HG3 ARG 8 -2.776 4.712 1.115
63 HD2 ARG 8 HD2 ARG 8 -1.970 5.752 -0.873
64 HD3 ARG 8 HD3 ARG 8 -3.589 6.294 -1.297
65 HE ARG 8 HE ARG 8 -2.912 7.357 1.203
66 HH11 ARG 8 HH11 ARG 8 -2.001 7.673 -2.167
67 HH12 ARG 8 HH12 ARG 8 -1.476 9.319 -2.003
68 HH21 ARG 8 HH21 ARG 8 -2.248 9.538 1.411
69 HH22 ARG 8 HH22 ARG 8 -1.640 10.378 0.018
70 HA PRO 9 HA PRO 9 -5.500 -0.351 -2.332
71 HB2 PRO 9 HB2 PRO 9 -7.543 0.304 -3.941
72 HB3 PRO 9 HB3 PRO 9 -7.809 -0.201 -2.272
73 HG2 PRO 9 HG2 PRO 9 -8.015 2.485 -3.477
74 HG3 PRO 9 HG3 PRO 9 -8.822 1.832 -2.042
75 HD2 PRO 9 HD2 PRO 9 -6.484 3.494 -2.147
76 HD3 PRO 9 HD3 PRO 9 -7.257 2.806 -0.713
77 H ASP 10 H ASP 10 -4.800 2.846 -3.043
78 HA ASP 10 HA ASP 10 -4.306 2.445 -5.890
79 HB2 ASP 10 HB2 ASP 10 -4.181 4.924 -4.158
80 HB3 ASP 10 HB3 ASP 10 -3.855 4.899 -5.884
81 H TRP 11 H TRP 11 -2.617 2.282 -2.960
82 HA TRP 11 HA TRP 11 -0.094 2.734 -4.394
83 HB2 TRP 11 HB2 TRP 11 0.905 3.578 -2.403
84 HB3 TRP 11 HB3 TRP 11 -0.645 4.364 -2.558
85 HD1 TRP 11 HD1 TRP 11 -1.559 1.175 -1.134
86 HE1 TRP 11 HE1 TRP 11 -1.692 1.319 1.407
87 HE3 TRP 11 HE3 TRP 11 0.912 5.579 -0.459
88 HZ2 TRP 11 HZ2 TRP 11 -0.856 3.086 3.468
89 HZ3 TRP 11 HZ3 TRP 11 1.217 6.433 1.828
90 HH2 TRP 11 HH2 TRP 11 0.349 5.199 3.748
91 HA PRO 12 HA PRO 12 1.069 -1.425 -3.493
92 HB2 PRO 12 HB2 PRO 12 3.718 -1.277 -3.171
93 HB3 PRO 12 HB3 PRO 12 2.962 -0.912 -4.725
94 HG2 PRO 12 HG2 PRO 12 3.915 0.970 -2.603
95 HG3 PRO 12 HG3 PRO 12 4.158 1.055 -4.345
96 HD2 PRO 12 HD2 PRO 12 2.243 2.469 -3.050
97 HD3 PRO 12 HD3 PRO 12 2.074 1.932 -4.730
98 H CYS 13 H CYS 13 2.853 -2.619 -1.919
99 HA CYS 13 HA CYS 13 1.957 -1.913 0.765
100 HB2 CYS 13 HB2 CYS 13 2.707 -4.129 1.431
101 HB3 CYS 13 HB3 CYS 13 1.638 -4.228 0.039
102 H TRP 14 H TRP 14 4.247 -0.745 -0.948
103 HA TRP 14 HA TRP 14 6.225 -0.721 1.205
104 HB2 TRP 14 HB2 TRP 14 8.021 -0.788 -0.611
105 HB3 TRP 14 HB3 TRP 14 7.184 -2.292 -0.258
106 HD1 TRP 14 HD1 TRP 14 5.526 -3.240 -2.110
107 HE1 TRP 14 HE1 TRP 14 5.336 -2.806 -4.641
108 HE3 TRP 14 HE3 TRP 14 8.302 1.026 -2.398
109 HZ2 TRP 14 HZ2 TRP 14 6.229 -0.877 -6.506
110 HZ3 TRP 14 HZ3 TRP 14 8.571 2.124 -4.577
111 HH2 TRP 14 HH2 TRP 14 7.557 1.185 -6.590
112 H TYR 15 H TYR 15 5.392 0.715 -1.921
113 HA TYR 15 HA TYR 15 5.667 2.747 -2.825
114 HB2 TYR 15 HB2 TYR 15 4.667 4.642 -1.322
115 HB3 TYR 15 HB3 TYR 15 3.646 3.376 -1.976
116 HD1 TYR 15 HD1 TYR 15 3.001 1.462 -0.501
117 HD2 TYR 15 HD2 TYR 15 4.792 4.994 1.034
118 HE1 TYR 15 HE1 TYR 15 2.203 0.886 1.729
119 HE2 TYR 15 HE2 TYR 15 4.007 4.424 3.287
120 HH TYR 15 HH TYR 15 2.278 3.095 4.342
121 H ARG 16 H ARG 16 6.486 3.768 0.503
122 HA ARG 16 HA ARG 16 8.270 4.915 1.313
123 HB2 ARG 16 HB2 ARG 16 9.642 3.528 -0.996
124 HB3 ARG 16 HB3 ARG 16 10.495 4.464 0.224
125 HG2 ARG 16 HG2 ARG 16 10.385 2.815 1.734
126 HG3 ARG 16 HG3 ARG 16 8.712 2.424 1.327
127 HD2 ARG 16 HD2 ARG 16 10.329 0.589 0.850
128 HD3 ARG 16 HD3 ARG 16 9.407 1.116 -0.557
129 HE ARG 16 HE ARG 16 11.833 2.536 -0.457
130 HH11 ARG 16 HH11 ARG 16 10.676 -0.730 -1.017
131 HH12 ARG 16 HH12 ARG 16 11.959 -1.126 -2.114
132 HH21 ARG 16 HH21 ARG 16 13.508 2.017 -1.891
133 HH22 ARG 16 HH22 ARG 16 13.572 0.443 -2.614
Start of MODEL 26
1 H2 PRO 1 HT1 PRO 1 -3.058 -1.795 -7.537
2 H3 PRO 1 HT2 PRO 1 -2.234 -0.949 -8.668
3 HA PRO 1 HA PRO 1 -0.613 -2.242 -8.318
4 HB2 PRO 1 HB2 PRO 1 0.062 -1.571 -5.589
5 HB3 PRO 1 HB3 PRO 1 0.881 -1.090 -7.082
6 HG2 PRO 1 HG2 PRO 1 -0.519 0.650 -5.530
7 HG3 PRO 1 HG3 PRO 1 -0.320 0.837 -7.281
8 HD2 PRO 1 HD2 PRO 1 -2.652 -0.285 -5.751
9 HD3 PRO 1 HD3 PRO 1 -2.651 0.862 -7.103
10 H SER 2 H SER 2 0.417 -3.938 -6.752
11 HA SER 2 HA SER 2 -1.586 -5.808 -6.058
12 HB2 SER 2 HB2 SER 2 1.334 -5.779 -5.272
13 HB3 SER 2 HB3 SER 2 0.263 -7.179 -5.250
14 HG SER 2 HG SER 2 0.267 -7.252 -7.406
15 H ILE 3 H ILE 3 -2.965 -5.319 -4.454
16 HA ILE 3 HA ILE 3 -2.133 -3.938 -2.076
17 HB ILE 3 HB ILE 3 -4.740 -5.366 -2.579
18 HG12 ILE 3 HG12 ILE 3 -4.052 -2.455 -3.039
19 HG13 ILE 3 HG13 ILE 3 -4.231 -3.656 -4.314
20 HG21 ILE 3 HG21 ILE 3 -5.613 -3.862 -0.854
21 HG22 ILE 3 HG22 ILE 3 -4.005 -3.171 -0.646
22 HG23 ILE 3 HG23 ILE 3 -4.297 -4.859 -0.229
23 HD11 ILE 3 HD11 ILE 3 -6.564 -3.958 -3.725
24 HD12 ILE 3 HD12 ILE 3 -6.219 -2.266 -4.078
25 HD13 ILE 3 HD13 ILE 3 -6.397 -2.799 -2.406
26 H HCS 4 H HCS 4 -0.651 -5.166 -1.024
27 HCA HCS 4 HA HCS 4 -0.949 -7.933 -0.498
28 HB2 HCS 4 HB1 HCS 4 0.734 -5.925 1.003
29 HB3 HCS 4 HB2 HCS 4 0.933 -7.670 1.021
30 HG2 HCS 4 HG1 HCS 4 1.400 -7.586 -1.410
31 HG3 HCS 4 HG2 HCS 4 1.323 -5.838 -1.331
32 H HIS 5 H HIS 5 -1.306 -5.088 1.576
33 HA HIS 5 HA HIS 5 -3.783 -5.775 2.610
34 HB2 HIS 5 HB2 HIS 5 -3.290 -6.463 4.905
35 HB3 HIS 5 HB3 HIS 5 -2.605 -7.610 3.767
36 HD1 HIS 5 HD1 HIS 5 -1.732 -5.422 6.575
37 HD2 HIS 5 HD2 HIS 5 0.257 -7.481 3.564
38 HE1 HIS 5 HE1 HIS 5 0.666 -5.549 7.320
39 HE2 HIS 5 HE2 HIS 5 1.813 -6.942 5.562
40 H VAL 6 H VAL 6 -2.684 -3.582 1.557
41 HA VAL 6 HA VAL 6 -1.574 -1.869 3.614
42 HB VAL 6 HB VAL 6 -2.058 -0.496 1.131
43 HG11 VAL 6 HG11 VAL 6 -0.428 0.227 2.752
44 HG12 VAL 6 HG12 VAL 6 0.378 -0.174 1.234
45 HG13 VAL 6 HG13 VAL 6 0.449 -1.297 2.594
46 HG21 VAL 6 HG21 VAL 6 -1.996 -2.658 0.066
47 HG22 VAL 6 HG22 VAL 6 -0.522 -3.072 0.934
48 HG23 VAL 6 HG23 VAL 6 -0.502 -1.786 -0.271
49 H HIS 7 H HIS 7 -2.343 0.424 3.711
50 HA HIS 7 HA HIS 7 -5.081 0.554 4.367
51 HB2 HIS 7 HB2 HIS 7 -3.498 1.964 5.507
52 HB3 HIS 7 HB3 HIS 7 -3.011 2.722 4.000
53 HD1 HIS 7 HD1 HIS 7 -6.011 2.542 6.310
54 HD2 HIS 7 HD2 HIS 7 -4.388 4.952 3.345
55 HE1 HIS 7 HE1 HIS 7 -7.412 4.630 6.303
56 HE2 HIS 7 HE2 HIS 7 -6.314 6.139 4.610
57 H ARG 8 H ARG 8 -3.392 2.455 1.823
58 HA ARG 8 HA ARG 8 -5.902 3.052 0.566
59 HB2 ARG 8 HB2 ARG 8 -3.166 3.517 -0.618
60 HB3 ARG 8 HB3 ARG 8 -4.652 4.363 -0.993
61 HG2 ARG 8 HG2 ARG 8 -4.588 5.051 1.492
62 HG3 ARG 8 HG3 ARG 8 -2.879 4.630 1.369
63 HD2 ARG 8 HD2 ARG 8 -4.379 6.635 -0.286
64 HD3 ARG 8 HD3 ARG 8 -3.177 6.978 0.951
65 HE ARG 8 HE ARG 8 -1.712 5.558 -0.707
66 HH11 ARG 8 HH11 ARG 8 -4.085 8.016 -1.474
67 HH12 ARG 8 HH12 ARG 8 -3.238 8.575 -2.879
68 HH21 ARG 8 HH21 ARG 8 -0.590 6.303 -2.568
69 HH22 ARG 8 HH22 ARG 8 -1.255 7.605 -3.496
70 HA PRO 9 HA PRO 9 -5.645 -0.273 -2.374
71 HB2 PRO 9 HB2 PRO 9 -7.661 0.487 -3.996
72 HB3 PRO 9 HB3 PRO 9 -7.938 -0.124 -2.365
73 HG2 PRO 9 HG2 PRO 9 -8.194 2.612 -3.404
74 HG3 PRO 9 HG3 PRO 9 -8.930 1.878 -1.973
75 HD2 PRO 9 HD2 PRO 9 -6.608 3.567 -2.115
76 HD3 PRO 9 HD3 PRO 9 -7.358 2.861 -0.676
77 H ASP 10 H ASP 10 -4.799 2.894 -3.009
78 HA ASP 10 HA ASP 10 -4.293 2.452 -5.857
79 HB2 ASP 10 HB2 ASP 10 -4.362 4.982 -4.206
80 HB3 ASP 10 HB3 ASP 10 -3.941 4.927 -5.913
81 H TRP 11 H TRP 11 -2.701 2.422 -2.879
82 HA TRP 11 HA TRP 11 -0.152 3.035 -4.200
83 HB2 TRP 11 HB2 TRP 11 0.720 3.821 -2.135
84 HB3 TRP 11 HB3 TRP 11 -0.880 4.514 -2.290
85 HD1 TRP 11 HD1 TRP 11 -1.645 1.201 -1.097
86 HE1 TRP 11 HE1 TRP 11 -1.852 1.154 1.448
87 HE3 TRP 11 HE3 TRP 11 0.551 5.672 -0.016
88 HZ2 TRP 11 HZ2 TRP 11 -1.183 2.787 3.644
89 HZ3 TRP 11 HZ3 TRP 11 0.717 6.363 2.337
90 HH2 TRP 11 HH2 TRP 11 -0.119 4.938 4.123
91 HA PRO 12 HA PRO 12 1.225 -1.102 -3.519
92 HB2 PRO 12 HB2 PRO 12 3.847 -0.840 -3.004
93 HB3 PRO 12 HB3 PRO 12 3.173 -0.429 -4.585
94 HG2 PRO 12 HG2 PRO 12 3.886 1.378 -2.307
95 HG3 PRO 12 HG3 PRO 12 4.215 1.578 -4.023
96 HD2 PRO 12 HD2 PRO 12 2.152 2.812 -2.768
97 HD3 PRO 12 HD3 PRO 12 2.104 2.359 -4.479
98 H CYS 13 H CYS 13 2.890 -2.373 -1.932
99 HA CYS 13 HA CYS 13 1.845 -1.877 0.744
100 HB2 CYS 13 HB2 CYS 13 2.607 -4.143 1.277
101 HB3 CYS 13 HB3 CYS 13 1.572 -4.132 -0.143
102 H TRP 14 H TRP 14 4.147 -0.439 -0.655
103 HA TRP 14 HA TRP 14 6.010 -0.589 1.582
104 HB2 TRP 14 HB2 TRP 14 7.939 -0.511 -0.096
105 HB3 TRP 14 HB3 TRP 14 7.112 -2.050 0.095
106 HD1 TRP 14 HD1 TRP 14 5.622 -2.890 -1.962
107 HE1 TRP 14 HE1 TRP 14 5.652 -2.283 -4.464
108 HE3 TRP 14 HE3 TRP 14 8.298 1.424 -1.684
109 HZ2 TRP 14 HZ2 TRP 14 6.660 -0.209 -6.096
110 HZ3 TRP 14 HZ3 TRP 14 8.733 2.683 -3.739
111 HH2 TRP 14 HH2 TRP 14 7.930 1.881 -5.899
112 H TYR 15 H TYR 15 5.333 1.059 -1.490
113 HA TYR 15 HA TYR 15 5.683 3.187 -2.201
114 HB2 TYR 15 HB2 TYR 15 4.369 4.850 -0.723
115 HB3 TYR 15 HB3 TYR 15 3.513 3.533 -1.503
116 HD1 TYR 15 HD1 TYR 15 4.501 4.973 1.694
117 HD2 TYR 15 HD2 TYR 15 2.776 1.596 -0.220
118 HE1 TYR 15 HE1 TYR 15 3.658 4.183 3.858
119 HE2 TYR 15 HE2 TYR 15 1.934 0.803 1.921
120 HH TYR 15 HH TYR 15 2.361 1.035 4.276
121 H ARG 16 H ARG 16 7.839 3.544 -2.161
122 HA ARG 16 HA ARG 16 8.875 5.144 0.066
123 HB2 ARG 16 HB2 ARG 16 10.263 2.738 -1.134
124 HB3 ARG 16 HB3 ARG 16 10.942 3.809 0.084
125 HG2 ARG 16 HG2 ARG 16 9.420 3.063 1.728
126 HG3 ARG 16 HG3 ARG 16 8.402 2.279 0.520
127 HD2 ARG 16 HD2 ARG 16 10.128 0.656 0.059
128 HD3 ARG 16 HD3 ARG 16 11.214 1.460 1.198
129 HE ARG 16 HE ARG 16 9.296 0.903 2.856
130 HH11 ARG 16 HH11 ARG 16 10.450 -1.109 0.232
131 HH12 ARG 16 HH12 ARG 16 9.964 -2.592 0.988
132 HH21 ARG 16 HH21 ARG 16 8.635 -1.045 3.844
133 HH22 ARG 16 HH22 ARG 16 8.952 -2.556 3.050
Start of MODEL 27
1 H2 PRO 1 HT1 PRO 1 -2.047 -1.571 -8.151
2 H3 PRO 1 HT2 PRO 1 -0.998 -0.665 -9.014
3 HA PRO 1 HA PRO 1 0.536 -1.847 -8.198
4 HB2 PRO 1 HB2 PRO 1 0.422 -1.071 -5.423
5 HB3 PRO 1 HB3 PRO 1 1.556 -0.535 -6.673
6 HG2 PRO 1 HG2 PRO 1 -0.354 1.082 -5.579
7 HG3 PRO 1 HG3 PRO 1 0.291 1.293 -7.217
8 HD2 PRO 1 HD2 PRO 1 -2.265 -0.032 -6.344
9 HD3 PRO 1 HD3 PRO 1 -1.993 1.102 -7.681
10 H SER 2 H SER 2 1.224 -3.413 -6.340
11 HA SER 2 HA SER 2 -0.882 -5.341 -6.038
12 HB2 SER 2 HB2 SER 2 1.913 -5.406 -4.874
13 HB3 SER 2 HB3 SER 2 0.831 -6.778 -5.119
14 HG SER 2 HG SER 2 2.062 -6.859 -6.880
15 H ILE 3 H ILE 3 -2.418 -4.879 -4.580
16 HA ILE 3 HA ILE 3 -1.817 -3.658 -2.032
17 HB ILE 3 HB ILE 3 -4.410 -4.896 -2.953
18 HG12 ILE 3 HG12 ILE 3 -3.558 -1.998 -3.074
19 HG13 ILE 3 HG13 ILE 3 -3.577 -3.081 -4.462
20 HG21 ILE 3 HG21 ILE 3 -3.832 -2.880 -0.787
21 HG22 ILE 3 HG22 ILE 3 -4.238 -4.576 -0.533
22 HG23 ILE 3 HG23 ILE 3 -5.428 -3.483 -1.239
23 HD11 ILE 3 HD11 ILE 3 -5.980 -2.318 -2.820
24 HD12 ILE 3 HD12 ILE 3 -5.975 -3.329 -4.266
25 HD13 ILE 3 HD13 ILE 3 -5.538 -1.623 -4.379
26 H HCS 4 H HCS 4 -0.739 -4.904 -0.656
27 HCA HCS 4 HA HCS 4 -1.150 -7.758 -0.553
28 HB2 HCS 4 HB1 HCS 4 0.579 -5.992 1.188
29 HB3 HCS 4 HB2 HCS 4 0.641 -7.747 1.122
30 HG2 HCS 4 HG1 HCS 4 1.298 -7.602 -1.244
31 HG3 HCS 4 HG2 HCS 4 1.286 -5.850 -1.115
32 H HIS 5 H HIS 5 -1.518 -5.045 1.668
33 HA HIS 5 HA HIS 5 -4.027 -5.736 2.638
34 HB2 HIS 5 HB2 HIS 5 -3.582 -6.564 4.881
35 HB3 HIS 5 HB3 HIS 5 -2.839 -7.639 3.706
36 HD1 HIS 5 HD1 HIS 5 -2.100 -5.617 6.664
37 HD2 HIS 5 HD2 HIS 5 0.023 -7.397 3.568
38 HE1 HIS 5 HE1 HIS 5 0.285 -5.707 7.450
39 HE2 HIS 5 HE2 HIS 5 1.571 -6.715 5.532
40 H VAL 6 H VAL 6 -2.917 -3.545 1.677
41 HA VAL 6 HA VAL 6 -1.755 -1.933 3.806
42 HB VAL 6 HB VAL 6 -2.103 -0.599 1.240
43 HG11 VAL 6 HG11 VAL 6 0.278 -1.241 2.979
44 HG12 VAL 6 HG12 VAL 6 -0.656 0.259 2.969
45 HG13 VAL 6 HG13 VAL 6 0.310 -0.188 1.565
46 HG21 VAL 6 HG21 VAL 6 -1.886 -2.833 0.330
47 HG22 VAL 6 HG22 VAL 6 -0.459 -3.125 1.325
48 HG23 VAL 6 HG23 VAL 6 -0.411 -1.917 0.039
49 H HIS 7 H HIS 7 -2.404 0.414 3.817
50 HA HIS 7 HA HIS 7 -5.095 0.697 4.527
51 HB2 HIS 7 HB2 HIS 7 -3.392 2.115 5.483
52 HB3 HIS 7 HB3 HIS 7 -2.977 2.750 3.899
53 HD1 HIS 7 HD1 HIS 7 -5.722 2.912 6.484
54 HD2 HIS 7 HD2 HIS 7 -4.435 4.908 3.061
55 HE1 HIS 7 HE1 HIS 7 -7.112 5.008 6.363
56 HE2 HIS 7 HE2 HIS 7 -6.421 6.126 4.211
57 H ARG 8 H ARG 8 -3.442 2.310 1.769
58 HA ARG 8 HA ARG 8 -5.957 3.067 0.630
59 HB2 ARG 8 HB2 ARG 8 -3.235 3.139 -0.647
60 HB3 ARG 8 HB3 ARG 8 -4.654 3.995 -1.189
61 HG2 ARG 8 HG2 ARG 8 -4.591 5.265 0.974
62 HG3 ARG 8 HG3 ARG 8 -3.004 4.521 1.250
63 HD2 ARG 8 HD2 ARG 8 -2.188 5.398 -0.836
64 HD3 ARG 8 HD3 ARG 8 -3.773 6.079 -1.190
65 HE ARG 8 HE ARG 8 -2.860 7.127 1.241
66 HH11 ARG 8 HH11 ARG 8 -2.122 7.230 -2.182
67 HH12 ARG 8 HH12 ARG 8 -1.425 8.822 -2.110
68 HH21 ARG 8 HH21 ARG 8 -1.924 9.221 1.349
69 HH22 ARG 8 HH22 ARG 8 -1.304 9.950 -0.101
70 HA PRO 9 HA PRO 9 -6.057 -0.225 -2.469
71 HB2 PRO 9 HB2 PRO 9 -8.076 0.689 -3.955
72 HB3 PRO 9 HB3 PRO 9 -8.361 0.128 -2.302
73 HG2 PRO 9 HG2 PRO 9 -8.250 2.901 -3.362
74 HG3 PRO 9 HG3 PRO 9 -9.214 2.242 -2.032
75 HD2 PRO 9 HD2 PRO 9 -6.759 3.658 -1.835
76 HD3 PRO 9 HD3 PRO 9 -7.624 2.838 -0.527
77 H ASP 10 H ASP 10 -4.811 2.728 -2.668
78 HA ASP 10 HA ASP 10 -4.558 2.928 -5.580
79 HB2 ASP 10 HB2 ASP 10 -5.283 4.998 -5.004
80 HB3 ASP 10 HB3 ASP 10 -4.768 4.822 -3.336
81 H TRP 11 H TRP 11 -2.801 2.170 -2.758
82 HA TRP 11 HA TRP 11 -0.271 2.635 -4.169
83 HB2 TRP 11 HB2 TRP 11 0.733 3.443 -2.171
84 HB3 TRP 11 HB3 TRP 11 -0.809 4.252 -2.333
85 HD1 TRP 11 HD1 TRP 11 -1.717 1.031 -0.935
86 HE1 TRP 11 HE1 TRP 11 -1.908 1.168 1.604
87 HE3 TRP 11 HE3 TRP 11 0.659 5.474 -0.184
88 HZ2 TRP 11 HZ2 TRP 11 -1.160 2.927 3.677
89 HZ3 TRP 11 HZ3 TRP 11 0.886 6.316 2.116
90 HH2 TRP 11 HH2 TRP 11 -0.017 5.058 3.996
91 HA PRO 12 HA PRO 12 0.857 -1.556 -3.223
92 HB2 PRO 12 HB2 PRO 12 3.519 -1.432 -2.943
93 HB3 PRO 12 HB3 PRO 12 2.747 -1.091 -4.494
94 HG2 PRO 12 HG2 PRO 12 3.762 0.825 -2.425
95 HG3 PRO 12 HG3 PRO 12 3.955 0.878 -4.177
96 HD2 PRO 12 HD2 PRO 12 2.085 2.328 -2.827
97 HD3 PRO 12 HD3 PRO 12 1.882 1.804 -4.509
98 H CYS 13 H CYS 13 2.830 -2.626 -1.652
99 HA CYS 13 HA CYS 13 1.885 -1.947 1.030
100 HB2 CYS 13 HB2 CYS 13 2.752 -4.151 1.698
101 HB3 CYS 13 HB3 CYS 13 1.581 -4.271 0.389
102 H TRP 14 H TRP 14 4.126 -0.653 -0.641
103 HA TRP 14 HA TRP 14 6.105 -0.633 1.514
104 HB2 TRP 14 HB2 TRP 14 7.936 -0.691 -0.258
105 HB3 TRP 14 HB3 TRP 14 7.096 -2.205 0.053
106 HD1 TRP 14 HD1 TRP 14 5.497 -3.135 -1.850
107 HE1 TRP 14 HE1 TRP 14 5.356 -2.654 -4.378
108 HE3 TRP 14 HE3 TRP 14 8.219 1.168 -1.986
109 HZ2 TRP 14 HZ2 TRP 14 6.273 -0.672 -6.185
110 HZ3 TRP 14 HZ3 TRP 14 8.526 2.316 -4.124
111 HH2 TRP 14 HH2 TRP 14 7.578 1.409 -6.191
112 H TYR 15 H TYR 15 5.239 0.791 -1.610
113 HA TYR 15 HA TYR 15 5.498 2.867 -2.484
114 HB2 TYR 15 HB2 TYR 15 4.297 4.619 -0.979
115 HB3 TYR 15 HB3 TYR 15 3.391 3.299 -1.697
116 HD1 TYR 15 HD1 TYR 15 4.389 4.878 1.399
117 HD2 TYR 15 HD2 TYR 15 2.823 1.314 -0.303
118 HE1 TYR 15 HE1 TYR 15 3.617 4.155 3.624
119 HE2 TYR 15 HE2 TYR 15 2.057 0.583 1.890
120 HH TYR 15 HH TYR 15 2.620 0.996 4.275
121 H ARG 16 H ARG 16 7.658 3.248 -2.620
122 HA ARG 16 HA ARG 16 8.725 5.211 -0.746
123 HB2 ARG 16 HB2 ARG 16 10.074 2.593 -1.423
124 HB3 ARG 16 HB3 ARG 16 10.888 3.946 -0.651
125 HG2 ARG 16 HG2 ARG 16 9.855 3.619 1.343
126 HG3 ARG 16 HG3 ARG 16 8.393 2.969 0.598
127 HD2 ARG 16 HD2 ARG 16 9.557 0.892 0.103
128 HD3 ARG 16 HD3 ARG 16 11.033 1.534 0.829
129 HE ARG 16 HE ARG 16 9.188 1.763 2.813
130 HH11 ARG 16 HH11 ARG 16 10.284 -0.870 0.795
131 HH12 ARG 16 HH12 ARG 16 9.962 -2.092 1.984
132 HH21 ARG 16 HH21 ARG 16 8.738 0.161 4.384
133 HH22 ARG 16 HH22 ARG 16 9.078 -1.504 4.028
Start of MODEL 28
1 H2 PRO 1 HT1 PRO 1 -2.059 -0.782 -6.902
2 H3 PRO 1 HT2 PRO 1 -1.828 -0.886 -8.516
3 HA PRO 1 HA PRO 1 -0.132 -2.187 -8.390
4 HB2 PRO 1 HB2 PRO 1 1.034 -1.724 -5.818
5 HB3 PRO 1 HB3 PRO 1 1.734 -1.395 -7.408
6 HG2 PRO 1 HG2 PRO 1 0.295 0.423 -5.575
7 HG3 PRO 1 HG3 PRO 1 1.490 0.798 -6.831
8 HD2 PRO 1 HD2 PRO 1 -1.096 1.393 -7.168
9 HD3 PRO 1 HD3 PRO 1 -0.109 0.815 -8.525
10 H SER 2 H SER 2 0.542 -4.071 -6.905
11 HA SER 2 HA SER 2 -1.749 -5.457 -6.161
12 HB2 SER 2 HB2 SER 2 1.111 -5.958 -5.319
13 HB3 SER 2 HB3 SER 2 -0.205 -7.123 -5.206
14 HG SER 2 HG SER 2 -0.407 -6.645 -7.596
15 H ILE 3 H ILE 3 -2.991 -5.401 -4.433
16 HA ILE 3 HA ILE 3 -2.177 -3.844 -2.115
17 HB ILE 3 HB ILE 3 -4.814 -5.234 -2.585
18 HG12 ILE 3 HG12 ILE 3 -4.084 -2.354 -3.143
19 HG13 ILE 3 HG13 ILE 3 -4.303 -3.586 -4.378
20 HG21 ILE 3 HG21 ILE 3 -5.676 -3.707 -0.904
21 HG22 ILE 3 HG22 ILE 3 -4.087 -2.964 -0.740
22 HG23 ILE 3 HG23 ILE 3 -4.330 -4.641 -0.251
23 HD11 ILE 3 HD11 ILE 3 -6.643 -3.818 -3.725
24 HD12 ILE 3 HD12 ILE 3 -6.255 -2.162 -4.194
25 HD13 ILE 3 HD13 ILE 3 -6.419 -2.581 -2.488
26 H HCS 4 H HCS 4 -0.715 -5.107 -1.044
27 HCA HCS 4 HA HCS 4 -1.083 -7.849 -0.488
28 HB2 HCS 4 HB1 HCS 4 0.586 -5.856 1.061
29 HB3 HCS 4 HB2 HCS 4 0.747 -7.607 1.107
30 HG2 HCS 4 HG1 HCS 4 1.308 -7.555 -1.310
31 HG3 HCS 4 HG2 HCS 4 1.291 -5.802 -1.235
32 H HIS 5 H HIS 5 -1.442 -4.996 1.565
33 HA HIS 5 HA HIS 5 -3.915 -5.688 2.641
34 HB2 HIS 5 HB2 HIS 5 -3.326 -6.325 4.939
35 HB3 HIS 5 HB3 HIS 5 -2.714 -7.497 3.786
36 HD1 HIS 5 HD1 HIS 5 -1.640 -5.202 6.469
37 HD2 HIS 5 HD2 HIS 5 0.106 -7.479 3.469
38 HE1 HIS 5 HE1 HIS 5 0.804 -5.330 7.047
39 HE2 HIS 5 HE2 HIS 5 1.765 -6.949 5.370
40 H VAL 6 H VAL 6 -2.762 -3.494 1.550
41 HA VAL 6 HA VAL 6 -1.633 -1.821 3.628
42 HB VAL 6 HB VAL 6 -2.034 -0.457 1.112
43 HG11 VAL 6 HG11 VAL 6 -0.465 0.244 2.828
44 HG12 VAL 6 HG12 VAL 6 0.387 -0.117 1.326
45 HG13 VAL 6 HG13 VAL 6 0.423 -1.270 2.659
46 HG21 VAL 6 HG21 VAL 6 -0.543 -3.076 1.035
47 HG22 VAL 6 HG22 VAL 6 -0.432 -1.820 -0.200
48 HG23 VAL 6 HG23 VAL 6 -1.966 -2.638 0.093
49 H HIS 7 H HIS 7 -2.317 0.435 3.808
50 HA HIS 7 HA HIS 7 -4.998 0.701 4.516
51 HB2 HIS 7 HB2 HIS 7 -3.303 2.078 5.534
52 HB3 HIS 7 HB3 HIS 7 -2.883 2.780 3.982
53 HD1 HIS 7 HD1 HIS 7 -5.611 2.874 6.592
54 HD2 HIS 7 HD2 HIS 7 -4.327 4.965 3.232
55 HE1 HIS 7 HE1 HIS 7 -6.959 5.000 6.563
56 HE2 HIS 7 HE2 HIS 7 -6.203 6.235 4.498
57 H ARG 8 H ARG 8 -3.358 2.357 1.768
58 HA ARG 8 HA ARG 8 -5.934 3.002 0.622
59 HB2 ARG 8 HB2 ARG 8 -3.209 3.420 -0.604
60 HB3 ARG 8 HB3 ARG 8 -4.706 4.208 -1.061
61 HG2 ARG 8 HG2 ARG 8 -4.724 5.190 1.283
62 HG3 ARG 8 HG3 ARG 8 -3.046 4.633 1.386
63 HD2 ARG 8 HD2 ARG 8 -2.390 5.989 -0.426
64 HD3 ARG 8 HD3 ARG 8 -4.059 6.349 -0.843
65 HE ARG 8 HE ARG 8 -2.984 7.244 1.735
66 HH11 ARG 8 HH11 ARG 8 -4.241 8.014 -1.444
67 HH12 ARG 8 HH12 ARG 8 -4.515 9.684 -1.065
68 HH21 ARG 8 HH21 ARG 8 -3.322 9.463 2.215
69 HH22 ARG 8 HH22 ARG 8 -3.989 10.507 0.999
70 HA PRO 9 HA PRO 9 -5.790 -0.438 -2.204
71 HB2 PRO 9 HB2 PRO 9 -7.862 0.209 -3.762
72 HB3 PRO 9 HB3 PRO 9 -8.098 -0.188 -2.056
73 HG2 PRO 9 HG2 PRO 9 -8.138 2.466 -3.404
74 HG3 PRO 9 HG3 PRO 9 -9.064 1.901 -2.005
75 HD2 PRO 9 HD2 PRO 9 -6.700 3.459 -1.968
76 HD3 PRO 9 HD3 PRO 9 -7.497 2.707 -0.577
77 H ASP 10 H ASP 10 -4.774 2.598 -2.895
78 HA ASP 10 HA ASP 10 -4.446 2.168 -5.775
79 HB2 ASP 10 HB2 ASP 10 -5.598 4.228 -5.185
80 HB3 ASP 10 HB3 ASP 10 -4.282 4.690 -4.114
81 H TRP 11 H TRP 11 -2.746 2.441 -2.796
82 HA TRP 11 HA TRP 11 -0.218 2.872 -4.199
83 HB2 TRP 11 HB2 TRP 11 0.680 3.757 -2.168
84 HB3 TRP 11 HB3 TRP 11 -0.925 4.431 -2.345
85 HD1 TRP 11 HD1 TRP 11 -1.769 1.230 -1.038
86 HE1 TRP 11 HE1 TRP 11 -1.911 1.243 1.513
87 HE3 TRP 11 HE3 TRP 11 0.681 5.605 -0.109
88 HZ2 TRP 11 HZ2 TRP 11 -1.102 2.890 3.656
89 HZ3 TRP 11 HZ3 TRP 11 0.952 6.334 2.223
90 HH2 TRP 11 HH2 TRP 11 0.081 4.994 4.063
91 HA PRO 12 HA PRO 12 1.174 -1.224 -3.429
92 HB2 PRO 12 HB2 PRO 12 3.802 -0.947 -2.996
93 HB3 PRO 12 HB3 PRO 12 3.079 -0.553 -4.558
94 HG2 PRO 12 HG2 PRO 12 3.844 1.282 -2.321
95 HG3 PRO 12 HG3 PRO 12 4.143 1.462 -4.046
96 HD2 PRO 12 HD2 PRO 12 2.109 2.709 -2.768
97 HD3 PRO 12 HD3 PRO 12 2.029 2.230 -4.471
98 H CYS 13 H CYS 13 2.856 -2.472 -1.850
99 HA CYS 13 HA CYS 13 1.911 -1.856 0.837
100 HB2 CYS 13 HB2 CYS 13 2.615 -4.097 1.439
101 HB3 CYS 13 HB3 CYS 13 1.575 -4.141 0.020
102 H TRP 14 H TRP 14 4.190 -0.531 -0.685
103 HA TRP 14 HA TRP 14 6.135 -0.649 1.491
104 HB2 TRP 14 HB2 TRP 14 7.979 -0.565 -0.282
105 HB3 TRP 14 HB3 TRP 14 7.171 -2.110 -0.040
106 HD1 TRP 14 HD1 TRP 14 5.589 -2.982 -1.990
107 HE1 TRP 14 HE1 TRP 14 5.468 -2.411 -4.492
108 HE3 TRP 14 HE3 TRP 14 8.245 1.369 -1.937
109 HZ2 TRP 14 HZ2 TRP 14 6.367 -0.359 -6.218
110 HZ3 TRP 14 HZ3 TRP 14 8.555 2.588 -4.042
111 HH2 TRP 14 HH2 TRP 14 7.633 1.742 -6.140
112 H TYR 15 H TYR 15 5.323 0.957 -1.557
113 HA TYR 15 HA TYR 15 5.657 3.068 -2.310
114 HB2 TYR 15 HB2 TYR 15 4.395 4.770 -0.834
115 HB3 TYR 15 HB3 TYR 15 3.506 3.446 -1.560
116 HD1 TYR 15 HD1 TYR 15 4.590 4.963 1.566
117 HD2 TYR 15 HD2 TYR 15 2.799 1.543 -0.210
118 HE1 TYR 15 HE1 TYR 15 3.783 4.252 3.773
119 HE2 TYR 15 HE2 TYR 15 1.990 0.821 1.974
120 HH TYR 15 HH TYR 15 2.429 1.134 4.323
121 H ARG 16 H ARG 16 7.805 3.412 -2.345
122 HA ARG 16 HA ARG 16 8.940 4.882 -0.059
123 HB2 ARG 16 HB2 ARG 16 10.244 2.779 -1.798
124 HB3 ARG 16 HB3 ARG 16 11.127 3.802 -0.675
125 HG2 ARG 16 HG2 ARG 16 10.135 2.815 1.195
126 HG3 ARG 16 HG3 ARG 16 8.841 2.086 0.242
127 HD2 ARG 16 HD2 ARG 16 10.590 0.474 0.993
128 HD3 ARG 16 HD3 ARG 16 10.367 0.531 -0.758
129 HE ARG 16 HE ARG 16 12.475 2.222 0.319
130 HH11 ARG 16 HH11 ARG 16 11.640 -0.857 -1.117
131 HH12 ARG 16 HH12 ARG 16 13.243 -1.158 -1.702
132 HH21 ARG 16 HH21 ARG 16 14.597 1.815 -0.447
133 HH22 ARG 16 HH22 ARG 16 14.918 0.348 -1.315
Start of MODEL 29
1 H2 PRO 1 HT1 PRO 1 -1.525 -2.662 -8.814
2 H3 PRO 1 HT2 PRO 1 -0.536 -1.704 -9.698
3 HA PRO 1 HA PRO 1 0.972 -1.991 -8.276
4 HB2 PRO 1 HB2 PRO 1 -0.323 -0.959 -5.881
5 HB3 PRO 1 HB3 PRO 1 1.038 -0.290 -6.795
6 HG2 PRO 1 HG2 PRO 1 -1.420 0.847 -6.817
7 HG3 PRO 1 HG3 PRO 1 -0.320 0.910 -8.208
8 HD2 PRO 1 HD2 PRO 1 -2.661 -0.907 -7.721
9 HD3 PRO 1 HD3 PRO 1 -2.210 -0.036 -9.200
10 H SER 2 H SER 2 1.657 -3.132 -6.282
11 HA SER 2 HA SER 2 0.180 -5.553 -5.963
12 HB2 SER 2 HB2 SER 2 2.637 -4.497 -4.549
13 HB3 SER 2 HB3 SER 2 1.998 -6.130 -4.349
14 HG SER 2 HG SER 2 2.529 -6.612 -6.404
15 H ILE 3 H ILE 3 -1.782 -5.129 -5.049
16 HA ILE 3 HA ILE 3 -1.934 -3.588 -2.596
17 HB ILE 3 HB ILE 3 -4.176 -5.102 -3.930
18 HG12 ILE 3 HG12 ILE 3 -3.420 -2.201 -4.353
19 HG13 ILE 3 HG13 ILE 3 -3.053 -3.488 -5.499
20 HG21 ILE 3 HG21 ILE 3 -5.588 -3.486 -2.754
21 HG22 ILE 3 HG22 ILE 3 -4.151 -2.730 -2.069
22 HG23 ILE 3 HG23 ILE 3 -4.570 -4.385 -1.629
23 HD11 ILE 3 HD11 ILE 3 -5.797 -2.611 -4.640
24 HD12 ILE 3 HD12 ILE 3 -5.439 -3.913 -5.777
25 HD13 ILE 3 HD13 ILE 3 -5.015 -2.247 -6.176
26 H HCS 4 H HCS 4 -0.878 -4.789 -1.093
27 HCA HCS 4 HA HCS 4 -1.485 -7.576 -0.714
28 HB2 HCS 4 HB1 HCS 4 0.129 -5.774 1.091
29 HB3 HCS 4 HB2 HCS 4 0.142 -7.533 1.065
30 HG2 HCS 4 HG1 HCS 4 1.021 -7.447 -1.246
31 HG3 HCS 4 HG2 HCS 4 1.099 -5.700 -1.119
32 H HIS 5 H HIS 5 -2.047 -4.570 1.015
33 HA HIS 5 HA HIS 5 -4.654 -5.047 1.678
34 HB2 HIS 5 HB2 HIS 5 -4.588 -5.481 4.121
35 HB3 HIS 5 HB3 HIS 5 -4.000 -6.829 3.171
36 HD1 HIS 5 HD1 HIS 5 -3.129 -4.748 6.007
37 HD2 HIS 5 HD2 HIS 5 -1.102 -7.051 3.213
38 HE1 HIS 5 HE1 HIS 5 -0.880 -5.209 7.024
39 HE2 HIS 5 HE2 HIS 5 0.216 -6.817 5.427
40 H VAL 6 H VAL 6 -1.988 -3.860 3.614
41 HA VAL 6 HA VAL 6 -1.369 -1.811 4.358
42 HB VAL 6 HB VAL 6 -2.180 -0.441 1.888
43 HG11 VAL 6 HG11 VAL 6 -0.539 0.443 3.494
44 HG12 VAL 6 HG12 VAL 6 0.118 0.257 1.872
45 HG13 VAL 6 HG13 VAL 6 0.524 -0.916 3.127
46 HG21 VAL 6 HG21 VAL 6 -1.903 -2.702 0.989
47 HG22 VAL 6 HG22 VAL 6 -0.295 -2.791 1.704
48 HG23 VAL 6 HG23 VAL 6 -0.630 -1.619 0.428
49 H HIS 7 H HIS 7 -2.205 0.767 3.627
50 HA HIS 7 HA HIS 7 -4.751 1.026 4.998
51 HB2 HIS 7 HB2 HIS 7 -3.016 2.494 5.754
52 HB3 HIS 7 HB3 HIS 7 -2.647 2.996 4.114
53 HD1 HIS 7 HD1 HIS 7 -5.203 3.488 6.826
54 HD2 HIS 7 HD2 HIS 7 -4.124 5.103 3.151
55 HE1 HIS 7 HE1 HIS 7 -6.525 5.613 6.607
56 HE2 HIS 7 HE2 HIS 7 -5.649 6.694 4.507
57 H ARG 8 H ARG 8 -3.306 2.335 1.998
58 HA ARG 8 HA ARG 8 -5.928 2.921 0.936
59 HB2 ARG 8 HB2 ARG 8 -3.234 3.152 -0.390
60 HB3 ARG 8 HB3 ARG 8 -4.737 3.821 -0.979
61 HG2 ARG 8 HG2 ARG 8 -4.783 5.206 1.152
62 HG3 ARG 8 HG3 ARG 8 -3.093 4.696 1.360
63 HD2 ARG 8 HD2 ARG 8 -2.392 5.768 -0.547
64 HD3 ARG 8 HD3 ARG 8 -4.005 5.802 -1.244
65 HE ARG 8 HE ARG 8 -3.474 7.443 1.115
66 HH11 ARG 8 HH11 ARG 8 -4.026 7.179 -2.330
67 HH12 ARG 8 HH12 ARG 8 -4.416 8.862 -2.531
68 HH21 ARG 8 HH21 ARG 8 -3.949 9.670 0.862
69 HH22 ARG 8 HH22 ARG 8 -4.347 10.289 -0.708
70 HA PRO 9 HA PRO 9 -5.812 -0.626 -1.849
71 HB2 PRO 9 HB2 PRO 9 -7.961 -0.042 -3.312
72 HB3 PRO 9 HB3 PRO 9 -8.123 -0.443 -1.600
73 HG2 PRO 9 HG2 PRO 9 -8.326 2.191 -2.949
74 HG3 PRO 9 HG3 PRO 9 -9.128 1.612 -1.480
75 HD2 PRO 9 HD2 PRO 9 -6.781 3.226 -1.661
76 HD3 PRO 9 HD3 PRO 9 -7.515 2.552 -0.197
77 H ASP 10 H ASP 10 -5.126 2.570 -2.644
78 HA ASP 10 HA ASP 10 -4.751 2.036 -5.493
79 HB2 ASP 10 HB2 ASP 10 -4.480 4.481 -5.696
80 HB3 ASP 10 HB3 ASP 10 -6.020 4.045 -4.971
81 H TRP 11 H TRP 11 -2.964 2.195 -2.598
82 HA TRP 11 HA TRP 11 -0.510 2.627 -4.146
83 HB2 TRP 11 HB2 TRP 11 0.534 3.593 -2.242
84 HB3 TRP 11 HB3 TRP 11 -1.056 4.303 -2.334
85 HD1 TRP 11 HD1 TRP 11 -1.771 1.139 -0.775
86 HE1 TRP 11 HE1 TRP 11 -1.754 1.340 1.773
87 HE3 TRP 11 HE3 TRP 11 0.594 5.636 -0.330
88 HZ2 TRP 11 HZ2 TRP 11 -0.859 3.167 3.741
89 HZ3 TRP 11 HZ3 TRP 11 0.993 6.545 1.926
90 HH2 TRP 11 HH2 TRP 11 0.279 5.329 3.915
91 HA PRO 12 HA PRO 12 0.796 -1.474 -3.195
92 HB2 PRO 12 HB2 PRO 12 3.460 -1.278 -2.932
93 HB3 PRO 12 HB3 PRO 12 2.655 -0.976 -4.477
94 HG2 PRO 12 HG2 PRO 12 3.636 0.988 -2.440
95 HG3 PRO 12 HG3 PRO 12 3.815 1.026 -4.190
96 HD2 PRO 12 HD2 PRO 12 1.918 2.452 -2.872
97 HD3 PRO 12 HD3 PRO 12 1.700 1.856 -4.528
98 H CYS 13 H CYS 13 2.652 -2.613 -1.644
99 HA CYS 13 HA CYS 13 1.852 -1.839 1.051
100 HB2 CYS 13 HB2 CYS 13 2.535 -4.065 1.738
101 HB3 CYS 13 HB3 CYS 13 1.411 -4.168 0.389
102 H TRP 14 H TRP 14 4.040 -0.612 -0.654
103 HA TRP 14 HA TRP 14 6.075 -0.646 1.434
104 HB2 TRP 14 HB2 TRP 14 7.868 -0.685 -0.380
105 HB3 TRP 14 HB3 TRP 14 7.046 -2.207 -0.046
106 HD1 TRP 14 HD1 TRP 14 5.402 -3.138 -1.928
107 HE1 TRP 14 HE1 TRP 14 5.239 -2.672 -4.454
108 HE3 TRP 14 HE3 TRP 14 8.102 1.177 -2.114
109 HZ2 TRP 14 HZ2 TRP 14 6.113 -0.703 -6.276
110 HZ3 TRP 14 HZ3 TRP 14 8.369 2.311 -4.271
111 HH2 TRP 14 HH2 TRP 14 7.392 1.390 -6.310
112 H TYR 15 H TYR 15 5.159 0.800 -1.676
113 HA TYR 15 HA TYR 15 5.459 2.883 -2.542
114 HB2 TYR 15 HB2 TYR 15 4.255 4.632 -1.054
115 HB3 TYR 15 HB3 TYR 15 3.342 3.282 -1.708
116 HD1 TYR 15 HD1 TYR 15 4.627 4.828 1.346
117 HD2 TYR 15 HD2 TYR 15 2.664 1.437 -0.288
118 HE1 TYR 15 HE1 TYR 15 3.945 4.147 3.605
119 HE2 TYR 15 HE2 TYR 15 1.982 0.739 1.947
120 HH TYR 15 HH TYR 15 2.265 2.794 4.693
121 H ARG 16 H ARG 16 7.651 3.183 -2.629
122 HA ARG 16 HA ARG 16 8.814 4.855 -0.511
123 HB2 ARG 16 HB2 ARG 16 10.145 2.510 -1.874
124 HB3 ARG 16 HB3 ARG 16 10.904 3.574 -0.699
125 HG2 ARG 16 HG2 ARG 16 9.504 2.779 1.049
126 HG3 ARG 16 HG3 ARG 16 8.467 1.926 -0.097
127 HD2 ARG 16 HD2 ARG 16 10.195 0.368 -0.623
128 HD3 ARG 16 HD3 ARG 16 11.380 1.286 0.315
129 HE ARG 16 HE ARG 16 9.094 0.316 1.809
130 HH11 ARG 16 HH11 ARG 16 12.366 -0.325 0.745
131 HH12 ARG 16 HH12 ARG 16 12.701 -1.435 2.032
132 HH21 ARG 16 HH21 ARG 16 9.526 -1.167 3.492
133 HH22 ARG 16 HH22 ARG 16 11.081 -1.932 3.578
Start of MODEL 30
1 H2 PRO 1 HT1 PRO 1 -2.132 -2.383 -8.327
2 H3 PRO 1 HT2 PRO 1 -1.496 -1.086 -9.077
3 HA PRO 1 HA PRO 1 0.393 -1.907 -8.719
4 HB2 PRO 1 HB2 PRO 1 0.569 -1.787 -5.853
5 HB3 PRO 1 HB3 PRO 1 1.291 -0.701 -7.048
6 HG2 PRO 1 HG2 PRO 1 -0.761 0.010 -5.372
7 HG3 PRO 1 HG3 PRO 1 -0.439 0.773 -6.937
8 HD2 PRO 1 HD2 PRO 1 -2.467 -1.320 -6.232
9 HD3 PRO 1 HD3 PRO 1 -2.630 0.091 -7.290
10 H SER 2 H SER 2 -1.092 -3.015 -5.677
11 HA SER 2 HA SER 2 -1.017 -5.775 -6.482
12 HB2 SER 2 HB2 SER 2 0.555 -6.405 -4.607
13 HB3 SER 2 HB3 SER 2 1.314 -5.538 -5.943
14 HG SER 2 HG SER 2 2.034 -4.477 -4.203
15 H ILE 3 H ILE 3 -0.993 -3.675 -3.625
16 HA ILE 3 HA ILE 3 -2.241 -3.564 -1.746
17 HB ILE 3 HB ILE 3 -4.395 -5.102 -3.180
18 HG12 ILE 3 HG12 ILE 3 -3.992 -2.100 -3.116
19 HG13 ILE 3 HG13 ILE 3 -3.685 -3.121 -4.517
20 HG21 ILE 3 HG21 ILE 3 -4.662 -4.880 -0.756
21 HG22 ILE 3 HG22 ILE 3 -5.896 -3.967 -1.627
22 HG23 ILE 3 HG23 ILE 3 -4.523 -3.126 -0.902
23 HD11 ILE 3 HD11 ILE 3 -5.826 -1.977 -4.691
24 HD12 ILE 3 HD12 ILE 3 -6.357 -2.722 -3.182
25 HD13 ILE 3 HD13 ILE 3 -6.043 -3.726 -4.598
26 H HCS 4 H HCS 4 -0.677 -4.936 -0.847
27 HCA HCS 4 HA HCS 4 -1.068 -7.756 -0.682
28 HB2 HCS 4 HB1 HCS 4 0.647 -5.977 1.055
29 HB3 HCS 4 HB2 HCS 4 0.789 -7.719 0.898
30 HG2 HCS 4 HG1 HCS 4 1.341 -7.401 -1.497
31 HG3 HCS 4 HG2 HCS 4 1.326 -5.664 -1.228
32 H HIS 5 H HIS 5 -1.483 -5.022 1.468
33 HA HIS 5 HA HIS 5 -3.884 -5.687 2.601
34 HB2 HIS 5 HB2 HIS 5 -3.329 -6.557 4.823
35 HB3 HIS 5 HB3 HIS 5 -2.823 -7.667 3.563
36 HD1 HIS 5 HD1 HIS 5 -1.599 -5.881 6.487
37 HD2 HIS 5 HD2 HIS 5 0.035 -7.694 3.133
38 HE1 HIS 5 HE1 HIS 5 0.821 -6.251 7.040
39 HE2 HIS 5 HE2 HIS 5 1.726 -7.558 5.088
40 H VAL 6 H VAL 6 -2.982 -3.465 1.720
41 HA VAL 6 HA VAL 6 -1.616 -1.938 3.807
42 HB VAL 6 HB VAL 6 -2.111 -0.532 1.302
43 HG11 VAL 6 HG11 VAL 6 -0.554 0.249 2.981
44 HG12 VAL 6 HG12 VAL 6 0.293 -0.100 1.475
45 HG13 VAL 6 HG13 VAL 6 0.390 -1.233 2.824
46 HG21 VAL 6 HG21 VAL 6 -0.496 -3.076 1.202
47 HG22 VAL 6 HG22 VAL 6 -0.469 -1.815 -0.032
48 HG23 VAL 6 HG23 VAL 6 -1.955 -2.711 0.282
49 H HIS 7 H HIS 7 -2.310 0.489 3.749
50 HA HIS 7 HA HIS 7 -5.023 0.670 4.550
51 HB2 HIS 7 HB2 HIS 7 -3.344 2.078 5.583
52 HB3 HIS 7 HB3 HIS 7 -2.941 2.795 4.031
53 HD1 HIS 7 HD1 HIS 7 -5.902 2.638 6.416
54 HD2 HIS 7 HD2 HIS 7 -4.243 5.088 3.496
55 HE1 HIS 7 HE1 HIS 7 -7.326 4.708 6.383
56 HE2 HIS 7 HE2 HIS 7 -6.369 6.133 4.537
57 H ARG 8 H ARG 8 -3.398 2.540 1.940
58 HA ARG 8 HA ARG 8 -5.923 3.160 0.741
59 HB2 ARG 8 HB2 ARG 8 -3.200 3.545 -0.498
60 HB3 ARG 8 HB3 ARG 8 -4.675 4.407 -0.881
61 HG2 ARG 8 HG2 ARG 8 -4.516 5.031 1.670
62 HG3 ARG 8 HG3 ARG 8 -2.803 4.766 1.359
63 HD2 ARG 8 HD2 ARG 8 -4.661 6.791 0.192
64 HD3 ARG 8 HD3 ARG 8 -3.082 7.021 0.934
65 HE ARG 8 HE ARG 8 -3.454 5.784 -1.730
66 HH11 ARG 8 HH11 ARG 8 -1.743 7.944 0.456
67 HH12 ARG 8 HH12 ARG 8 -0.633 8.494 -0.754
68 HH21 ARG 8 HH21 ARG 8 -2.001 6.508 -3.323
69 HH22 ARG 8 HH22 ARG 8 -0.741 7.639 -2.889
70 HA PRO 9 HA PRO 9 -5.985 -0.217 -2.132
71 HB2 PRO 9 HB2 PRO 9 -7.998 0.599 -3.702
72 HB3 PRO 9 HB3 PRO 9 -8.259 0.151 -2.014
73 HG2 PRO 9 HG2 PRO 9 -8.229 2.832 -3.266
74 HG3 PRO 9 HG3 PRO 9 -9.091 2.270 -1.827
75 HD2 PRO 9 HD2 PRO 9 -6.642 3.724 -1.926
76 HD3 PRO 9 HD3 PRO 9 -7.442 3.056 -0.493
77 H ASP 10 H ASP 10 -4.888 2.847 -2.943
78 HA ASP 10 HA ASP 10 -4.485 2.204 -5.775
79 HB2 ASP 10 HB2 ASP 10 -4.152 4.555 -6.126
80 HB3 ASP 10 HB3 ASP 10 -5.612 4.358 -5.170
81 H TRP 11 H TRP 11 -2.818 2.439 -2.795
82 HA TRP 11 HA TRP 11 -0.272 2.822 -4.190
83 HB2 TRP 11 HB2 TRP 11 0.646 3.683 -2.181
84 HB3 TRP 11 HB3 TRP 11 -0.952 4.385 -2.325
85 HD1 TRP 11 HD1 TRP 11 -1.728 1.137 -0.994
86 HE1 TRP 11 HE1 TRP 11 -1.863 1.170 1.555
87 HE3 TRP 11 HE3 TRP 11 0.546 5.623 -0.116
88 HZ2 TRP 11 HZ2 TRP 11 -1.115 2.873 3.686
89 HZ3 TRP 11 HZ3 TRP 11 0.780 6.392 2.204
90 HH2 TRP 11 HH2 TRP 11 -0.028 5.038 4.064
91 HA PRO 12 HA PRO 12 1.045 -1.324 -3.355
92 HB2 PRO 12 HB2 PRO 12 3.687 -1.093 -2.995
93 HB3 PRO 12 HB3 PRO 12 2.937 -0.704 -4.547
94 HG2 PRO 12 HG2 PRO 12 3.801 1.141 -2.354
95 HG3 PRO 12 HG3 PRO 12 4.059 1.292 -4.088
96 HD2 PRO 12 HD2 PRO 12 2.075 2.594 -2.764
97 HD3 PRO 12 HD3 PRO 12 1.953 2.122 -4.465
98 H CYS 13 H CYS 13 2.940 -2.436 -1.777
99 HA CYS 13 HA CYS 13 1.944 -1.856 0.920
100 HB2 CYS 13 HB2 CYS 13 2.767 -4.092 1.518
101 HB3 CYS 13 HB3 CYS 13 1.641 -4.159 0.165
102 H TRP 14 H TRP 14 4.170 -0.495 -0.659
103 HA TRP 14 HA TRP 14 6.135 -0.563 1.497
104 HB2 TRP 14 HB2 TRP 14 7.974 -0.474 -0.277
105 HB3 TRP 14 HB3 TRP 14 7.199 -2.030 -0.003
106 HD1 TRP 14 HD1 TRP 14 5.595 -2.948 -1.934
107 HE1 TRP 14 HE1 TRP 14 5.462 -2.411 -4.446
108 HE3 TRP 14 HE3 TRP 14 8.241 1.413 -1.970
109 HZ2 TRP 14 HZ2 TRP 14 6.341 -0.392 -6.202
110 HZ3 TRP 14 HZ3 TRP 14 8.530 2.599 -4.098
111 HH2 TRP 14 HH2 TRP 14 7.603 1.707 -6.170
112 H TYR 15 H TYR 15 5.324 0.993 -1.580
113 HA TYR 15 HA TYR 15 5.660 3.108 -2.335
114 HB2 TYR 15 HB2 TYR 15 4.320 4.787 -0.911
115 HB3 TYR 15 HB3 TYR 15 3.477 3.426 -1.633
116 HD1 TYR 15 HD1 TYR 15 4.409 5.042 1.474
117 HD2 TYR 15 HD2 TYR 15 2.829 1.491 -0.243
118 HE1 TYR 15 HE1 TYR 15 3.573 4.356 3.675
119 HE2 TYR 15 HE2 TYR 15 1.989 0.800 1.937
120 HH TYR 15 HH TYR 15 1.946 2.919 4.666
121 H ARG 16 H ARG 16 7.867 3.322 -2.220
122 HA ARG 16 HA ARG 16 8.889 4.884 0.057
123 HB2 ARG 16 HB2 ARG 16 10.309 2.749 -1.543
124 HB3 ARG 16 HB3 ARG 16 11.056 3.750 -0.306
125 HG2 ARG 16 HG2 ARG 16 9.835 2.753 1.415
126 HG3 ARG 16 HG3 ARG 16 8.666 2.050 0.295
127 HD2 ARG 16 HD2 ARG 16 10.322 0.518 -0.541
128 HD3 ARG 16 HD3 ARG 16 11.579 1.292 0.424
129 HE ARG 16 HE ARG 16 9.665 0.483 2.224
130 HH11 ARG 16 HH11 ARG 16 11.658 -1.098 -0.190
131 HH12 ARG 16 HH12 ARG 16 11.800 -2.571 0.719
132 HH21 ARG 16 HH21 ARG 16 9.823 -1.457 3.392
133 HH22 ARG 16 HH22 ARG 16 10.765 -2.772 2.761
Start of MODEL 31
1 H2 PRO 1 HT1 PRO 1 -2.279 -2.239 -7.235
2 H3 PRO 1 HT2 PRO 1 -2.061 -1.202 -8.475
3 HA PRO 1 HA PRO 1 -0.182 -2.067 -8.777
4 HB2 PRO 1 HB2 PRO 1 1.196 -1.323 -6.358
5 HB3 PRO 1 HB3 PRO 1 1.336 -0.623 -7.979
6 HG2 PRO 1 HG2 PRO 1 0.184 0.683 -5.870
7 HG3 PRO 1 HG3 PRO 1 -0.239 0.977 -7.568
8 HD2 PRO 1 HD2 PRO 1 -1.665 -0.703 -5.526
9 HD3 PRO 1 HD3 PRO 1 -2.339 0.431 -6.710
10 H SER 2 H SER 2 -0.019 -2.344 -5.244
11 HA SER 2 HA SER 2 -0.315 -5.222 -5.466
12 HB2 SER 2 HB2 SER 2 1.732 -5.451 -3.914
13 HB3 SER 2 HB3 SER 2 2.025 -5.156 -5.628
14 HG SER 2 HG SER 2 3.182 -3.559 -4.897
15 H ILE 3 H ILE 3 -2.310 -4.743 -4.428
16 HA ILE 3 HA ILE 3 -2.258 -3.667 -1.762
17 HB ILE 3 HB ILE 3 -4.538 -5.127 -3.073
18 HG12 ILE 3 HG12 ILE 3 -3.983 -2.152 -3.039
19 HG13 ILE 3 HG13 ILE 3 -3.792 -3.194 -4.444
20 HG21 ILE 3 HG21 ILE 3 -5.910 -3.899 -1.466
21 HG22 ILE 3 HG22 ILE 3 -4.462 -3.139 -0.808
22 HG23 ILE 3 HG23 ILE 3 -4.694 -4.878 -0.645
23 HD11 ILE 3 HD11 ILE 3 -6.169 -3.671 -4.431
24 HD12 ILE 3 HD12 ILE 3 -5.883 -1.933 -4.512
25 HD13 ILE 3 HD13 ILE 3 -6.374 -2.679 -2.991
26 H HCS 4 H HCS 4 -0.720 -5.096 -0.926
27 HCA HCS 4 HA HCS 4 -1.203 -7.881 -0.657
28 HB2 HCS 4 HB1 HCS 4 0.591 -6.107 0.997
29 HB3 HCS 4 HB2 HCS 4 0.701 -7.855 0.858
30 HG2 HCS 4 HG1 HCS 4 1.196 -7.591 -1.545
31 HG3 HCS 4 HG2 HCS 4 1.168 -5.849 -1.334
32 H HIS 5 H HIS 5 -1.554 -5.099 1.461
33 HA HIS 5 HA HIS 5 -3.974 -5.757 2.583
34 HB2 HIS 5 HB2 HIS 5 -3.460 -6.577 4.823
35 HB3 HIS 5 HB3 HIS 5 -2.837 -7.690 3.620
36 HD1 HIS 5 HD1 HIS 5 -1.817 -5.748 6.554
37 HD2 HIS 5 HD2 HIS 5 0.010 -7.616 3.327
38 HE1 HIS 5 HE1 HIS 5 0.610 -5.968 7.184
39 HE2 HIS 5 HE2 HIS 5 1.672 -7.203 5.262
40 H VAL 6 H VAL 6 -2.849 -3.583 1.587
41 HA VAL 6 HA VAL 6 -1.629 -1.984 3.683
42 HB VAL 6 HB VAL 6 -2.095 -0.560 1.207
43 HG11 VAL 6 HG11 VAL 6 0.391 -1.365 2.712
44 HG12 VAL 6 HG12 VAL 6 -0.499 0.154 2.859
45 HG13 VAL 6 HG13 VAL 6 0.342 -0.231 1.359
46 HG21 VAL 6 HG21 VAL 6 -2.031 -2.733 0.151
47 HG22 VAL 6 HG22 VAL 6 -0.554 -3.144 1.021
48 HG23 VAL 6 HG23 VAL 6 -0.534 -1.862 -0.192
49 H HIS 7 H HIS 7 -2.340 0.404 3.694
50 HA HIS 7 HA HIS 7 -5.059 0.541 4.486
51 HB2 HIS 7 HB2 HIS 7 -3.408 1.919 5.580
52 HB3 HIS 7 HB3 HIS 7 -2.971 2.678 4.060
53 HD1 HIS 7 HD1 HIS 7 -5.994 2.469 6.364
54 HD2 HIS 7 HD2 HIS 7 -4.238 4.997 3.571
55 HE1 HIS 7 HE1 HIS 7 -7.359 4.576 6.415
56 HE2 HIS 7 HE2 HIS 7 -6.165 6.155 4.856
57 H ARG 8 H ARG 8 -3.409 2.415 1.892
58 HA ARG 8 HA ARG 8 -5.942 3.136 0.743
59 HB2 ARG 8 HB2 ARG 8 -3.219 3.529 -0.497
60 HB3 ARG 8 HB3 ARG 8 -4.684 4.430 -0.828
61 HG2 ARG 8 HG2 ARG 8 -4.492 4.946 1.746
62 HG3 ARG 8 HG3 ARG 8 -2.786 4.665 1.401
63 HD2 ARG 8 HD2 ARG 8 -4.629 6.759 0.339
64 HD3 ARG 8 HD3 ARG 8 -3.046 6.943 1.077
65 HE ARG 8 HE ARG 8 -3.431 5.789 -1.617
66 HH11 ARG 8 HH11 ARG 8 -1.719 7.932 0.594
67 HH12 ARG 8 HH12 ARG 8 -0.648 8.535 -0.632
68 HH21 ARG 8 HH21 ARG 8 -2.046 6.608 -3.223
69 HH22 ARG 8 HH22 ARG 8 -0.817 7.766 -2.790
70 HA PRO 9 HA PRO 9 -6.027 -0.160 -2.216
71 HB2 PRO 9 HB2 PRO 9 -7.977 0.736 -3.829
72 HB3 PRO 9 HB3 PRO 9 -8.297 0.263 -2.159
73 HG2 PRO 9 HG2 PRO 9 -8.155 2.966 -3.356
74 HG3 PRO 9 HG3 PRO 9 -9.082 2.399 -1.959
75 HD2 PRO 9 HD2 PRO 9 -6.602 3.791 -1.936
76 HD3 PRO 9 HD3 PRO 9 -7.455 3.101 -0.548
77 H ASP 10 H ASP 10 -4.976 2.960 -3.010
78 HA ASP 10 HA ASP 10 -4.515 2.330 -5.831
79 HB2 ASP 10 HB2 ASP 10 -4.158 4.677 -6.146
80 HB3 ASP 10 HB3 ASP 10 -5.611 4.490 -5.175
81 H TRP 11 H TRP 11 -2.868 2.497 -2.831
82 HA TRP 11 HA TRP 11 -0.311 2.859 -4.212
83 HB2 TRP 11 HB2 TRP 11 0.630 3.655 -2.188
84 HB3 TRP 11 HB3 TRP 11 -0.953 4.391 -2.302
85 HD1 TRP 11 HD1 TRP 11 -1.774 1.114 -1.057
86 HE1 TRP 11 HE1 TRP 11 -1.918 1.095 1.493
87 HE3 TRP 11 HE3 TRP 11 0.579 5.539 -0.071
88 HZ2 TRP 11 HZ2 TRP 11 -1.148 2.737 3.664
89 HZ3 TRP 11 HZ3 TRP 11 0.821 6.248 2.269
90 HH2 TRP 11 HH2 TRP 11 -0.020 4.868 4.096
91 HA PRO 12 HA PRO 12 0.876 -1.326 -3.467
92 HB2 PRO 12 HB2 PRO 12 3.525 -1.183 -3.189
93 HB3 PRO 12 HB3 PRO 12 2.747 -0.712 -4.705
94 HG2 PRO 12 HG2 PRO 12 3.714 1.019 -2.462
95 HG3 PRO 12 HG3 PRO 12 3.951 1.224 -4.194
96 HD2 PRO 12 HD2 PRO 12 2.031 2.542 -2.793
97 HD3 PRO 12 HD3 PRO 12 1.870 2.131 -4.509
98 H CYS 13 H CYS 13 2.711 -2.565 -1.950
99 HA CYS 13 HA CYS 13 1.839 -1.975 0.777
100 HB2 CYS 13 HB2 CYS 13 2.637 -4.224 1.338
101 HB3 CYS 13 HB3 CYS 13 1.493 -4.269 -0.003
102 H TRP 14 H TRP 14 4.092 -0.653 -0.851
103 HA TRP 14 HA TRP 14 6.094 -0.809 1.273
104 HB2 TRP 14 HB2 TRP 14 7.884 -0.718 -0.548
105 HB3 TRP 14 HB3 TRP 14 7.061 -2.252 -0.302
106 HD1 TRP 14 HD1 TRP 14 5.399 -3.074 -2.225
107 HE1 TRP 14 HE1 TRP 14 5.233 -2.463 -4.721
108 HE3 TRP 14 HE3 TRP 14 8.112 1.248 -2.189
109 HZ2 TRP 14 HZ2 TRP 14 6.105 -0.395 -6.433
110 HZ3 TRP 14 HZ3 TRP 14 8.368 2.499 -4.283
111 HH2 TRP 14 HH2 TRP 14 7.388 1.690 -6.361
112 H TYR 15 H TYR 15 5.203 0.877 -1.708
113 HA TYR 15 HA TYR 15 5.581 2.995 -2.437
114 HB2 TYR 15 HB2 TYR 15 4.324 4.674 -0.922
115 HB3 TYR 15 HB3 TYR 15 3.433 3.355 -1.665
116 HD1 TYR 15 HD1 TYR 15 4.453 4.864 1.474
117 HD2 TYR 15 HD2 TYR 15 2.814 1.383 -0.321
118 HE1 TYR 15 HE1 TYR 15 3.675 4.107 3.676
119 HE2 TYR 15 HE2 TYR 15 2.036 0.612 1.856
120 HH TYR 15 HH TYR 15 1.962 2.618 4.606
121 H ARG 16 H ARG 16 7.807 3.111 -2.359
122 HA ARG 16 HA ARG 16 8.897 4.732 -0.160
123 HB2 ARG 16 HB2 ARG 16 10.230 2.689 -1.935
124 HB3 ARG 16 HB3 ARG 16 11.109 3.758 -0.854
125 HG2 ARG 16 HG2 ARG 16 10.520 2.604 0.992
126 HG3 ARG 16 HG3 ARG 16 8.926 2.183 0.356
127 HD2 ARG 16 HD2 ARG 16 10.526 0.260 0.646
128 HD3 ARG 16 HD3 ARG 16 9.818 0.424 -0.956
129 HE ARG 16 HE ARG 16 12.468 1.565 -0.470
130 HH11 ARG 16 HH11 ARG 16 10.496 -0.946 -1.926
131 HH12 ARG 16 HH12 ARG 16 11.718 -1.418 -3.059
132 HH21 ARG 16 HH21 ARG 16 14.082 0.919 -1.944
133 HH22 ARG 16 HH22 ARG 16 13.754 -0.370 -3.060
Start of MODEL 32
1 H2 PRO 1 HT1 PRO 1 -2.925 -1.974 -7.973
2 H3 PRO 1 HT2 PRO 1 -1.808 -1.190 -8.868
3 HA PRO 1 HA PRO 1 -0.353 -2.506 -8.182
4 HB2 PRO 1 HB2 PRO 1 -0.485 -2.044 -5.309
5 HB3 PRO 1 HB3 PRO 1 0.800 -1.633 -6.456
6 HG2 PRO 1 HG2 PRO 1 -0.794 0.239 -5.335
7 HG3 PRO 1 HG3 PRO 1 -0.115 0.409 -6.964
8 HD2 PRO 1 HD2 PRO 1 -2.875 -0.463 -6.146
9 HD3 PRO 1 HD3 PRO 1 -2.395 0.659 -7.431
10 H SER 2 H SER 2 0.193 -4.260 -6.358
11 HA SER 2 HA SER 2 -1.775 -6.259 -6.589
12 HB2 SER 2 HB2 SER 2 0.570 -6.163 -4.682
13 HB3 SER 2 HB3 SER 2 -0.303 -7.605 -5.185
14 HG SER 2 HG SER 2 0.484 -7.356 -7.245
15 H ILE 3 H ILE 3 -0.932 -4.075 -3.959
16 HA ILE 3 HA ILE 3 -1.838 -3.629 -1.929
17 HB ILE 3 HB ILE 3 -4.352 -4.942 -2.943
18 HG12 ILE 3 HG12 ILE 3 -3.532 -2.031 -3.111
19 HG13 ILE 3 HG13 ILE 3 -3.566 -3.149 -4.470
20 HG21 ILE 3 HG21 ILE 3 -4.294 -4.584 -0.527
21 HG22 ILE 3 HG22 ILE 3 -5.478 -3.529 -1.298
22 HG23 ILE 3 HG23 ILE 3 -3.920 -2.879 -0.784
23 HD11 ILE 3 HD11 ILE 3 -5.948 -2.320 -2.833
24 HD12 ILE 3 HD12 ILE 3 -5.963 -3.400 -4.222
25 HD13 ILE 3 HD13 ILE 3 -5.526 -1.707 -4.432
26 H HCS 4 H HCS 4 -0.493 -5.010 -0.862
27 HCA HCS 4 HA HCS 4 -0.998 -7.804 -0.580
28 HB2 HCS 4 HB1 HCS 4 0.837 -6.012 1.030
29 HB3 HCS 4 HB2 HCS 4 0.910 -7.764 0.958
30 HG2 HCS 4 HG1 HCS 4 1.450 -7.639 -1.417
31 HG3 HCS 4 HG2 HCS 4 1.366 -5.888 -1.344
32 H HIS 5 H HIS 5 -1.269 -5.025 1.562
33 HA HIS 5 HA HIS 5 -3.678 -5.756 2.723
34 HB2 HIS 5 HB2 HIS 5 -2.975 -6.391 5.012
35 HB3 HIS 5 HB3 HIS 5 -2.503 -7.585 3.818
36 HD1 HIS 5 HD1 HIS 5 -1.150 -5.438 6.471
37 HD2 HIS 5 HD2 HIS 5 0.308 -7.636 3.266
38 HE1 HIS 5 HE1 HIS 5 1.317 -5.680 6.892
39 HE2 HIS 5 HE2 HIS 5 2.204 -6.850 4.840
40 H VAL 6 H VAL 6 -2.691 -3.564 1.620
41 HA VAL 6 HA VAL 6 -1.551 -1.832 3.647
42 HB VAL 6 HB VAL 6 -2.061 -0.477 1.163
43 HG11 VAL 6 HG11 VAL 6 0.481 -1.272 2.572
44 HG12 VAL 6 HG12 VAL 6 -0.445 0.205 2.850
45 HG13 VAL 6 HG13 VAL 6 0.335 -0.066 1.292
46 HG21 VAL 6 HG21 VAL 6 -0.473 -3.032 0.970
47 HG22 VAL 6 HG22 VAL 6 -0.525 -1.763 -0.258
48 HG23 VAL 6 HG23 VAL 6 -1.985 -2.678 0.137
49 H HIS 7 H HIS 7 -2.350 0.462 3.699
50 HA HIS 7 HA HIS 7 -5.089 0.528 4.421
51 HB2 HIS 7 HB2 HIS 7 -3.516 1.924 5.595
52 HB3 HIS 7 HB3 HIS 7 -3.017 2.705 4.106
53 HD1 HIS 7 HD1 HIS 7 -6.067 2.525 6.383
54 HD2 HIS 7 HD2 HIS 7 -4.321 4.984 3.517
55 HE1 HIS 7 HE1 HIS 7 -7.440 4.633 6.370
56 HE2 HIS 7 HE2 HIS 7 -6.495 6.006 4.478
57 H ARG 8 H ARG 8 -3.393 2.424 1.875
58 HA ARG 8 HA ARG 8 -5.905 3.082 0.638
59 HB2 ARG 8 HB2 ARG 8 -3.153 3.576 -0.499
60 HB3 ARG 8 HB3 ARG 8 -4.636 4.425 -0.886
61 HG2 ARG 8 HG2 ARG 8 -4.566 4.959 1.689
62 HG3 ARG 8 HG3 ARG 8 -2.842 4.713 1.430
63 HD2 ARG 8 HD2 ARG 8 -4.664 6.767 0.255
64 HD3 ARG 8 HD3 ARG 8 -3.141 6.987 1.102
65 HE ARG 8 HE ARG 8 -3.317 5.865 -1.624
66 HH11 ARG 8 HH11 ARG 8 -1.802 7.975 0.745
67 HH12 ARG 8 HH12 ARG 8 -0.626 8.590 -0.372
68 HH21 ARG 8 HH21 ARG 8 -1.776 6.663 -3.086
69 HH22 ARG 8 HH22 ARG 8 -0.597 7.836 -2.549
70 HA PRO 9 HA PRO 9 -5.755 -0.156 -2.397
71 HB2 PRO 9 HB2 PRO 9 -7.692 0.697 -4.033
72 HB3 PRO 9 HB3 PRO 9 -8.047 0.180 -2.381
73 HG2 PRO 9 HG2 PRO 9 -7.935 2.913 -3.529
74 HG3 PRO 9 HG3 PRO 9 -8.919 2.292 -2.194
75 HD2 PRO 9 HD2 PRO 9 -6.494 3.758 -2.004
76 HD3 PRO 9 HD3 PRO 9 -7.377 2.983 -0.680
77 H ASP 10 H ASP 10 -4.839 3.041 -3.083
78 HA ASP 10 HA ASP 10 -4.298 2.528 -5.903
79 HB2 ASP 10 HB2 ASP 10 -3.938 4.896 -6.097
80 HB3 ASP 10 HB3 ASP 10 -5.404 4.655 -5.154
81 H TRP 11 H TRP 11 -2.700 2.666 -2.859
82 HA TRP 11 HA TRP 11 -0.119 3.076 -4.175
83 HB2 TRP 11 HB2 TRP 11 0.748 3.841 -2.097
84 HB3 TRP 11 HB3 TRP 11 -0.845 4.554 -2.257
85 HD1 TRP 11 HD1 TRP 11 -1.645 1.244 -1.111
86 HE1 TRP 11 HE1 TRP 11 -1.885 1.164 1.428
87 HE3 TRP 11 HE3 TRP 11 0.576 5.689 0.057
88 HZ2 TRP 11 HZ2 TRP 11 -1.220 2.763 3.659
89 HZ3 TRP 11 HZ3 TRP 11 0.723 6.346 2.421
90 HH2 TRP 11 HH2 TRP 11 -0.149 4.905 4.183
91 HA PRO 12 HA PRO 12 1.138 -1.101 -3.562
92 HB2 PRO 12 HB2 PRO 12 3.773 -0.937 -3.137
93 HB3 PRO 12 HB3 PRO 12 3.066 -0.412 -4.670
94 HG2 PRO 12 HG2 PRO 12 3.878 1.232 -2.300
95 HG3 PRO 12 HG3 PRO 12 4.210 1.523 -4.007
96 HD2 PRO 12 HD2 PRO 12 2.195 2.752 -2.662
97 HD3 PRO 12 HD3 PRO 12 2.123 2.406 -4.396
98 H CYS 13 H CYS 13 2.950 -2.364 -2.025
99 HA CYS 13 HA CYS 13 1.961 -1.896 0.690
100 HB2 CYS 13 HB2 CYS 13 2.607 -4.175 1.188
101 HB3 CYS 13 HB3 CYS 13 1.600 -4.133 -0.256
102 H TRP 14 H TRP 14 4.209 -0.454 -0.709
103 HA TRP 14 HA TRP 14 6.155 -0.749 1.443
104 HB2 TRP 14 HB2 TRP 14 8.015 -0.510 -0.308
105 HB3 TRP 14 HB3 TRP 14 7.234 -2.079 -0.165
106 HD1 TRP 14 HD1 TRP 14 5.657 -2.850 -2.183
107 HE1 TRP 14 HE1 TRP 14 5.534 -2.120 -4.644
108 HE3 TRP 14 HE3 TRP 14 8.254 1.535 -1.853
109 HZ2 TRP 14 HZ2 TRP 14 6.403 0.032 -6.229
110 HZ3 TRP 14 HZ3 TRP 14 8.541 2.882 -3.883
111 HH2 TRP 14 HH2 TRP 14 7.637 2.141 -6.023
112 H TYR 15 H TYR 15 5.363 1.070 -1.486
113 HA TYR 15 HA TYR 15 5.710 3.229 -2.086
114 HB2 TYR 15 HB2 TYR 15 4.348 4.793 -0.551
115 HB3 TYR 15 HB3 TYR 15 3.523 3.481 -1.385
116 HD1 TYR 15 HD1 TYR 15 4.449 4.839 1.860
117 HD2 TYR 15 HD2 TYR 15 2.875 1.461 -0.179
118 HE1 TYR 15 HE1 TYR 15 3.643 3.937 3.993
119 HE2 TYR 15 HE2 TYR 15 2.068 0.554 1.934
120 HH TYR 15 HH TYR 15 2.505 0.730 4.331
121 H ARG 16 H ARG 16 7.828 3.715 -2.033
122 HA ARG 16 HA ARG 16 8.862 4.914 0.448
123 HB2 ARG 16 HB2 ARG 16 10.361 3.226 -1.564
124 HB3 ARG 16 HB3 ARG 16 11.067 3.993 -0.146
125 HG2 ARG 16 HG2 ARG 16 10.092 2.518 1.313
126 HG3 ARG 16 HG3 ARG 16 8.772 2.121 0.204
127 HD2 ARG 16 HD2 ARG 16 10.308 0.895 -1.223
128 HD3 ARG 16 HD3 ARG 16 11.666 1.347 -0.190
129 HE ARG 16 HE ARG 16 9.975 0.060 1.499
130 HH11 ARG 16 HH11 ARG 16 11.377 -0.730 -1.610
131 HH12 ARG 16 HH12 ARG 16 11.428 -2.438 -1.304
132 HH21 ARG 16 HH21 ARG 16 10.037 -2.201 1.913
133 HH22 ARG 16 HH22 ARG 16 10.680 -3.274 0.708
Start of MODEL 33
1 H2 PRO 1 HT1 PRO 1 -2.363 -2.175 -8.666
2 H3 PRO 1 HT2 PRO 1 -1.046 -1.895 -9.591
3 HA PRO 1 HA PRO 1 0.355 -1.862 -7.945
4 HB2 PRO 1 HB2 PRO 1 -1.278 -1.335 -5.630
5 HB3 PRO 1 HB3 PRO 1 0.074 -0.390 -6.268
6 HG2 PRO 1 HG2 PRO 1 -2.822 -0.053 -6.715
7 HG3 PRO 1 HG3 PRO 1 -1.512 1.133 -6.872
8 HD2 PRO 1 HD2 PRO 1 -2.753 0.161 -9.035
9 HD3 PRO 1 HD3 PRO 1 -1.008 0.471 -9.054
10 H SER 2 H SER 2 0.682 -3.308 -5.997
11 HA SER 2 HA SER 2 -0.528 -5.823 -6.592
12 HB2 SER 2 HB2 SER 2 0.922 -6.626 -4.694
13 HB3 SER 2 HB3 SER 2 1.790 -5.786 -5.975
14 HG SER 2 HG SER 2 2.434 -5.082 -3.897
15 H ILE 3 H ILE 3 -0.647 -3.605 -3.857
16 HA ILE 3 HA ILE 3 -1.920 -3.483 -1.986
17 HB ILE 3 HB ILE 3 -4.050 -4.984 -3.486
18 HG12 ILE 3 HG12 ILE 3 -3.478 -2.016 -3.559
19 HG13 ILE 3 HG13 ILE 3 -3.161 -3.133 -4.881
20 HG21 ILE 3 HG21 ILE 3 -4.180 -2.884 -1.323
21 HG22 ILE 3 HG22 ILE 3 -4.465 -4.611 -1.111
22 HG23 ILE 3 HG23 ILE 3 -5.568 -3.650 -2.095
23 HD11 ILE 3 HD11 ILE 3 -5.534 -3.596 -5.070
24 HD12 ILE 3 HD12 ILE 3 -5.207 -1.869 -5.232
25 HD13 ILE 3 HD13 ILE 3 -5.864 -2.509 -3.724
26 H HCS 4 H HCS 4 -0.498 -4.919 -0.937
27 HCA HCS 4 HA HCS 4 -1.071 -7.728 -0.775
28 HB2 HCS 4 HB1 HCS 4 0.684 -6.081 1.046
29 HB3 HCS 4 HB2 HCS 4 0.760 -7.814 0.789
30 HG2 HCS 4 HG1 HCS 4 1.465 -7.448 -1.510
31 HG3 HCS 4 HG2 HCS 4 1.383 -5.711 -1.258
32 H HIS 5 H HIS 5 -1.382 -4.936 1.291
33 HA HIS 5 HA HIS 5 -3.730 -5.427 2.535
34 HB2 HIS 5 HB2 HIS 5 -3.159 -6.347 4.750
35 HB3 HIS 5 HB3 HIS 5 -2.857 -7.503 3.469
36 HD1 HIS 5 HD1 HIS 5 -1.331 -6.102 6.413
37 HD2 HIS 5 HD2 HIS 5 0.009 -7.655 2.805
38 HE1 HIS 5 HE1 HIS 5 1.080 -6.711 6.796
39 HE2 HIS 5 HE2 HIS 5 1.832 -7.769 4.639
40 H VAL 6 H VAL 6 -3.524 -3.200 2.091
41 HA VAL 6 HA VAL 6 -1.715 -1.745 3.907
42 HB VAL 6 HB VAL 6 -2.217 -0.369 1.375
43 HG11 VAL 6 HG11 VAL 6 0.283 -1.049 2.920
44 HG12 VAL 6 HG12 VAL 6 -0.627 0.463 2.987
45 HG13 VAL 6 HG13 VAL 6 0.211 0.004 1.506
46 HG21 VAL 6 HG21 VAL 6 -2.107 -2.633 0.476
47 HG22 VAL 6 HG22 VAL 6 -0.577 -2.899 1.314
48 HG23 VAL 6 HG23 VAL 6 -0.679 -1.699 0.024
49 H HIS 7 H HIS 7 -2.332 0.696 3.849
50 HA HIS 7 HA HIS 7 -4.993 1.019 4.719
51 HB2 HIS 7 HB2 HIS 7 -3.252 2.433 5.578
52 HB3 HIS 7 HB3 HIS 7 -2.851 2.997 3.968
53 HD1 HIS 7 HD1 HIS 7 -5.313 3.520 6.743
54 HD2 HIS 7 HD2 HIS 7 -4.425 5.046 2.976
55 HE1 HIS 7 HE1 HIS 7 -6.610 5.664 6.560
56 HE2 HIS 7 HE2 HIS 7 -6.209 6.468 4.207
57 H ARG 8 H ARG 8 -3.410 2.446 1.828
58 HA ARG 8 HA ARG 8 -5.979 3.112 0.700
59 HB2 ARG 8 HB2 ARG 8 -3.254 3.242 -0.583
60 HB3 ARG 8 HB3 ARG 8 -4.718 3.961 -1.204
61 HG2 ARG 8 HG2 ARG 8 -4.758 5.426 0.822
62 HG3 ARG 8 HG3 ARG 8 -3.146 4.790 1.203
63 HD2 ARG 8 HD2 ARG 8 -2.230 5.607 -0.788
64 HD3 ARG 8 HD3 ARG 8 -3.811 5.921 -1.478
65 HE ARG 8 HE ARG 8 -3.167 7.462 0.882
66 HH11 ARG 8 HH11 ARG 8 -3.191 7.282 -2.622
67 HH12 ARG 8 HH12 ARG 8 -3.030 9.005 -2.829
68 HH21 ARG 8 HH21 ARG 8 -2.991 9.746 0.592
69 HH22 ARG 8 HH22 ARG 8 -2.947 10.391 -1.017
70 HA PRO 9 HA PRO 9 -5.922 -0.403 -2.135
71 HB2 PRO 9 HB2 PRO 9 -7.995 0.272 -3.674
72 HB3 PRO 9 HB3 PRO 9 -8.232 -0.159 -1.977
73 HG2 PRO 9 HG2 PRO 9 -8.317 2.503 -3.276
74 HG3 PRO 9 HG3 PRO 9 -9.181 1.922 -1.845
75 HD2 PRO 9 HD2 PRO 9 -6.782 3.475 -1.924
76 HD3 PRO 9 HD3 PRO 9 -7.583 2.800 -0.494
77 H ASP 10 H ASP 10 -4.942 2.697 -2.803
78 HA ASP 10 HA ASP 10 -4.554 2.219 -5.672
79 HB2 ASP 10 HB2 ASP 10 -4.225 4.678 -5.824
80 HB3 ASP 10 HB3 ASP 10 -5.814 4.224 -5.233
81 H TRP 11 H TRP 11 -2.853 2.239 -2.759
82 HA TRP 11 HA TRP 11 -0.363 2.763 -4.225
83 HB2 TRP 11 HB2 TRP 11 0.620 3.681 -2.253
84 HB3 TRP 11 HB3 TRP 11 -0.962 4.400 -2.415
85 HD1 TRP 11 HD1 TRP 11 -1.758 1.209 -0.950
86 HE1 TRP 11 HE1 TRP 11 -1.876 1.365 1.600
87 HE3 TRP 11 HE3 TRP 11 0.584 5.681 -0.319
88 HZ2 TRP 11 HZ2 TRP 11 -1.080 3.162 3.632
89 HZ3 TRP 11 HZ3 TRP 11 0.878 6.559 1.959
90 HH2 TRP 11 HH2 TRP 11 0.058 5.312 3.889
91 HA PRO 12 HA PRO 12 1.020 -1.336 -3.301
92 HB2 PRO 12 HB2 PRO 12 3.649 -1.073 -2.832
93 HB3 PRO 12 HB3 PRO 12 2.956 -0.752 -4.423
94 HG2 PRO 12 HG2 PRO 12 3.703 1.178 -2.264
95 HG3 PRO 12 HG3 PRO 12 4.034 1.272 -3.993
96 HD2 PRO 12 HD2 PRO 12 2.005 2.611 -2.808
97 HD3 PRO 12 HD3 PRO 12 1.927 2.045 -4.483
98 H CYS 13 H CYS 13 2.837 -2.438 -1.681
99 HA CYS 13 HA CYS 13 1.781 -1.889 0.991
100 HB2 CYS 13 HB2 CYS 13 2.570 -4.117 1.574
101 HB3 CYS 13 HB3 CYS 13 1.553 -4.190 0.139
102 H TRP 14 H TRP 14 4.109 -0.621 -0.629
103 HA TRP 14 HA TRP 14 6.042 -0.649 1.566
104 HB2 TRP 14 HB2 TRP 14 7.865 -0.633 -0.250
105 HB3 TRP 14 HB3 TRP 14 7.068 -2.162 0.098
106 HD1 TRP 14 HD1 TRP 14 5.437 -3.139 -1.763
107 HE1 TRP 14 HE1 TRP 14 5.241 -2.720 -4.288
108 HE3 TRP 14 HE3 TRP 14 8.076 1.209 -2.046
109 HZ2 TRP 14 HZ2 TRP 14 6.073 -0.781 -6.149
110 HZ3 TRP 14 HZ3 TRP 14 8.308 2.302 -4.233
111 HH2 TRP 14 HH2 TRP 14 7.330 1.319 -6.239
112 H TYR 15 H TYR 15 5.238 0.870 -1.530
113 HA TYR 15 HA TYR 15 5.633 2.942 -2.346
114 HB2 TYR 15 HB2 TYR 15 4.322 4.688 -0.964
115 HB3 TYR 15 HB3 TYR 15 3.458 3.323 -1.652
116 HD1 TYR 15 HD1 TYR 15 2.733 1.468 -0.228
117 HD2 TYR 15 HD2 TYR 15 4.478 4.973 1.429
118 HE1 TYR 15 HE1 TYR 15 1.902 0.832 1.981
119 HE2 TYR 15 HE2 TYR 15 3.640 4.344 3.653
120 HH TYR 15 HH TYR 15 1.873 2.963 4.632
121 H ARG 16 H ARG 16 7.838 3.137 -2.269
122 HA ARG 16 HA ARG 16 8.931 4.677 -0.009
123 HB2 ARG 16 HB2 ARG 16 10.334 2.504 -1.582
124 HB3 ARG 16 HB3 ARG 16 10.990 3.383 -0.206
125 HG2 ARG 16 HG2 ARG 16 9.530 2.320 1.302
126 HG3 ARG 16 HG3 ARG 16 8.494 1.728 0.006
127 HD2 ARG 16 HD2 ARG 16 9.798 -0.103 0.845
128 HD3 ARG 16 HD3 ARG 16 10.345 0.298 -0.780
129 HE ARG 16 HE ARG 16 11.869 1.607 1.264
130 HH11 ARG 16 HH11 ARG 16 11.543 -1.337 -0.618
131 HH12 ARG 16 HH12 ARG 16 13.161 -1.873 -0.295
132 HH21 ARG 16 HH21 ARG 16 14.004 0.893 1.695
133 HH22 ARG 16 HH22 ARG 16 14.556 -0.609 1.022
Start of MODEL 34
1 H2 PRO 1 HT1 PRO 1 -1.850 -2.190 -8.636
2 H3 PRO 1 HT2 PRO 1 -0.799 -1.163 -9.349
3 HA PRO 1 HA PRO 1 0.718 -2.109 -8.263
4 HB2 PRO 1 HB2 PRO 1 0.067 -1.365 -5.560
5 HB3 PRO 1 HB3 PRO 1 1.292 -0.673 -6.634
6 HG2 PRO 1 HG2 PRO 1 -0.986 0.647 -5.878
7 HG3 PRO 1 HG3 PRO 1 -0.100 0.971 -7.376
8 HD2 PRO 1 HD2 PRO 1 -2.577 -0.668 -6.962
9 HD3 PRO 1 HD3 PRO 1 -2.196 0.484 -8.255
10 H SER 2 H SER 2 1.371 -3.667 -6.522
11 HA SER 2 HA SER 2 -0.622 -5.738 -6.295
12 HB2 SER 2 HB2 SER 2 2.194 -5.668 -5.186
13 HB3 SER 2 HB3 SER 2 1.179 -7.094 -5.401
14 HG SER 2 HG SER 2 1.493 -5.600 -7.681
15 H ILE 3 H ILE 3 -2.163 -5.379 -4.828
16 HA ILE 3 HA ILE 3 -1.566 -4.027 -2.341
17 HB ILE 3 HB ILE 3 -4.183 -5.266 -3.191
18 HG12 ILE 3 HG12 ILE 3 -3.208 -2.417 -3.522
19 HG13 ILE 3 HG13 ILE 3 -3.433 -3.580 -4.822
20 HG21 ILE 3 HG21 ILE 3 -3.975 -4.846 -0.791
21 HG22 ILE 3 HG22 ILE 3 -5.164 -3.776 -1.533
22 HG23 ILE 3 HG23 ILE 3 -3.566 -3.163 -1.124
23 HD11 ILE 3 HD11 ILE 3 -5.824 -3.617 -4.391
24 HD12 ILE 3 HD12 ILE 3 -5.260 -1.978 -4.714
25 HD13 ILE 3 HD13 ILE 3 -5.612 -2.480 -3.061
26 H HCS 4 H HCS 4 -0.419 -5.260 -1.033
27 HCA HCS 4 HA HCS 4 -0.902 -8.059 -0.617
28 HB2 HCS 4 HB1 HCS 4 0.688 -6.187 1.138
29 HB3 HCS 4 HB2 HCS 4 0.885 -7.922 0.980
30 HG2 HCS 4 HG1 HCS 4 1.668 -7.629 -1.308
31 HG3 HCS 4 HG2 HCS 4 1.447 -5.896 -1.170
32 H HIS 5 H HIS 5 -1.142 -5.190 1.370
33 HA HIS 5 HA HIS 5 -3.707 -5.385 2.257
34 HB2 HIS 5 HB2 HIS 5 -3.630 -6.281 4.502
35 HB3 HIS 5 HB3 HIS 5 -2.982 -7.502 3.418
36 HD1 HIS 5 HD1 HIS 5 -2.232 -5.688 6.485
37 HD2 HIS 5 HD2 HIS 5 -0.088 -7.677 3.538
38 HE1 HIS 5 HE1 HIS 5 0.022 -6.155 7.494
39 HE2 HIS 5 HE2 HIS 5 1.346 -7.254 5.653
40 H VAL 6 H VAL 6 -3.808 -3.222 2.261
41 HA VAL 6 HA VAL 6 -1.845 -1.772 3.873
42 HB VAL 6 HB VAL 6 -2.299 -0.348 1.396
43 HG11 VAL 6 HG11 VAL 6 0.164 -1.313 2.847
44 HG12 VAL 6 HG12 VAL 6 -0.603 0.273 2.982
45 HG13 VAL 6 HG13 VAL 6 0.169 -0.209 1.471
46 HG21 VAL 6 HG21 VAL 6 -0.897 -1.750 -0.052
47 HG22 VAL 6 HG22 VAL 6 -2.405 -2.555 0.379
48 HG23 VAL 6 HG23 VAL 6 -0.903 -3.014 1.179
49 H HIS 7 H HIS 7 -2.414 0.647 3.874
50 HA HIS 7 HA HIS 7 -5.098 0.962 4.729
51 HB2 HIS 7 HB2 HIS 7 -3.338 2.260 5.753
52 HB3 HIS 7 HB3 HIS 7 -2.901 2.962 4.204
53 HD1 HIS 7 HD1 HIS 7 -5.815 3.008 6.651
54 HD2 HIS 7 HD2 HIS 7 -4.090 5.299 3.638
55 HE1 HIS 7 HE1 HIS 7 -7.080 5.184 6.646
56 HE2 HIS 7 HE2 HIS 7 -5.927 6.606 4.919
57 H ARG 8 H ARG 8 -3.389 2.625 2.049
58 HA ARG 8 HA ARG 8 -5.901 3.445 0.915
59 HB2 ARG 8 HB2 ARG 8 -3.195 3.671 -0.389
60 HB3 ARG 8 HB3 ARG 8 -4.615 4.646 -0.693
61 HG2 ARG 8 HG2 ARG 8 -4.360 5.319 1.791
62 HG3 ARG 8 HG3 ARG 8 -2.702 4.766 1.567
63 HD2 ARG 8 HD2 ARG 8 -4.131 6.873 -0.019
64 HD3 ARG 8 HD3 ARG 8 -2.858 7.136 1.163
65 HE ARG 8 HE ARG 8 -1.690 5.503 -0.646
66 HH11 ARG 8 HH11 ARG 8 -3.448 8.502 -0.880
67 HH12 ARG 8 HH12 ARG 8 -2.554 9.085 -2.249
68 HH21 ARG 8 HH21 ARG 8 -0.479 6.265 -2.467
69 HH22 ARG 8 HH22 ARG 8 -0.866 7.814 -3.144
70 HA PRO 9 HA PRO 9 -6.116 0.059 -1.941
71 HB2 PRO 9 HB2 PRO 9 -8.175 0.921 -3.427
72 HB3 PRO 9 HB3 PRO 9 -8.382 0.474 -1.732
73 HG2 PRO 9 HG2 PRO 9 -8.357 3.148 -2.985
74 HG3 PRO 9 HG3 PRO 9 -9.151 2.606 -1.498
75 HD2 PRO 9 HD2 PRO 9 -6.662 3.997 -1.748
76 HD3 PRO 9 HD3 PRO 9 -7.422 3.396 -0.267
77 H ASP 10 H ASP 10 -4.916 3.041 -2.713
78 HA ASP 10 HA ASP 10 -4.687 2.524 -5.592
79 HB2 ASP 10 HB2 ASP 10 -5.632 4.693 -5.025
80 HB3 ASP 10 HB3 ASP 10 -4.259 5.051 -3.984
81 H TRP 11 H TRP 11 -2.896 2.609 -2.663
82 HA TRP 11 HA TRP 11 -0.379 2.861 -4.134
83 HB2 TRP 11 HB2 TRP 11 0.638 3.648 -2.134
84 HB3 TRP 11 HB3 TRP 11 -0.916 4.450 -2.239
85 HD1 TRP 11 HD1 TRP 11 -1.844 1.221 -0.927
86 HE1 TRP 11 HE1 TRP 11 -1.953 1.257 1.621
87 HE3 TRP 11 HE3 TRP 11 0.699 5.566 -0.059
88 HZ2 TRP 11 HZ2 TRP 11 -1.076 2.895 3.744
89 HZ3 TRP 11 HZ3 TRP 11 1.020 6.292 2.264
90 HH2 TRP 11 HH2 TRP 11 0.159 4.975 4.121
91 HA PRO 12 HA PRO 12 0.746 -1.355 -3.255
92 HB2 PRO 12 HB2 PRO 12 3.398 -1.248 -2.887
93 HB3 PRO 12 HB3 PRO 12 2.680 -0.877 -4.459
94 HG2 PRO 12 HG2 PRO 12 3.616 0.995 -2.319
95 HG3 PRO 12 HG3 PRO 12 3.889 1.079 -4.055
96 HD2 PRO 12 HD2 PRO 12 1.971 2.525 -2.791
97 HD3 PRO 12 HD3 PRO 12 1.821 1.986 -4.473
98 H CYS 13 H CYS 13 2.530 -2.546 -1.645
99 HA CYS 13 HA CYS 13 1.516 -1.949 1.012
100 HB2 CYS 13 HB2 CYS 13 2.390 -4.114 1.644
101 HB3 CYS 13 HB3 CYS 13 1.436 -4.263 0.173
102 H TRP 14 H TRP 14 3.934 -0.727 -0.669
103 HA TRP 14 HA TRP 14 5.795 -0.688 1.595
104 HB2 TRP 14 HB2 TRP 14 7.667 -0.784 -0.145
105 HB3 TRP 14 HB3 TRP 14 6.791 -2.277 0.178
106 HD1 TRP 14 HD1 TRP 14 5.198 -3.199 -1.753
107 HE1 TRP 14 HE1 TRP 14 5.132 -2.766 -4.284
108 HE3 TRP 14 HE3 TRP 14 8.019 1.040 -1.899
109 HZ2 TRP 14 HZ2 TRP 14 6.114 -0.837 -6.101
110 HZ3 TRP 14 HZ3 TRP 14 8.388 2.139 -4.054
111 HH2 TRP 14 HH2 TRP 14 7.457 1.218 -6.117
112 H TYR 15 H TYR 15 5.058 0.782 -1.537
113 HA TYR 15 HA TYR 15 5.444 2.838 -2.407
114 HB2 TYR 15 HB2 TYR 15 4.320 4.659 -0.931
115 HB3 TYR 15 HB3 TYR 15 3.345 3.368 -1.616
116 HD1 TYR 15 HD1 TYR 15 4.660 4.816 1.472
117 HD2 TYR 15 HD2 TYR 15 2.518 1.561 -0.223
118 HE1 TYR 15 HE1 TYR 15 3.902 4.158 3.707
119 HE2 TYR 15 HE2 TYR 15 1.748 0.901 1.989
120 HH TYR 15 HH TYR 15 2.081 2.915 4.733
121 H ARG 16 H ARG 16 7.573 3.219 -2.574
122 HA ARG 16 HA ARG 16 8.800 4.877 -0.497
123 HB2 ARG 16 HB2 ARG 16 10.008 2.363 -1.657
124 HB3 ARG 16 HB3 ARG 16 10.872 3.510 -0.640
125 HG2 ARG 16 HG2 ARG 16 9.543 2.994 1.241
126 HG3 ARG 16 HG3 ARG 16 8.359 2.143 0.250
127 HD2 ARG 16 HD2 ARG 16 9.905 0.685 1.591
128 HD3 ARG 16 HD3 ARG 16 9.824 0.336 -0.137
129 HE ARG 16 HE ARG 16 11.940 1.928 -0.064
130 HH11 ARG 16 HH11 ARG 16 11.064 -0.637 2.146
131 HH12 ARG 16 HH12 ARG 16 12.705 -1.118 2.442
132 HH21 ARG 16 HH21 ARG 16 14.095 1.293 0.308
133 HH22 ARG 16 HH22 ARG 16 14.427 -0.006 1.410
Start of MODEL 35
1 H2 PRO 1 HT1 PRO 1 -1.589 -1.369 -7.933
2 H3 PRO 1 HT2 PRO 1 -0.563 -1.688 -9.160
3 HA PRO 1 HA PRO 1 1.242 -1.687 -7.926
4 HB2 PRO 1 HB2 PRO 1 0.154 -0.456 -5.503
5 HB3 PRO 1 HB3 PRO 1 1.671 -0.133 -6.354
6 HG2 PRO 1 HG2 PRO 1 -0.866 1.244 -6.580
7 HG3 PRO 1 HG3 PRO 1 0.697 1.678 -7.292
8 HD2 PRO 1 HD2 PRO 1 -1.446 0.869 -8.773
9 HD3 PRO 1 HD3 PRO 1 0.234 0.598 -9.275
10 H SER 2 H SER 2 1.717 -2.850 -5.769
11 HA SER 2 HA SER 2 -0.046 -5.112 -5.761
12 HB2 SER 2 HB2 SER 2 1.777 -5.928 -4.087
13 HB3 SER 2 HB3 SER 2 2.196 -5.725 -5.787
14 HG SER 2 HG SER 2 3.671 -4.786 -4.154
15 H ILE 3 H ILE 3 -1.919 -4.758 -4.655
16 HA ILE 3 HA ILE 3 -1.889 -3.612 -1.995
17 HB ILE 3 HB ILE 3 -4.195 -5.021 -3.326
18 HG12 ILE 3 HG12 ILE 3 -3.540 -2.068 -3.365
19 HG13 ILE 3 HG13 ILE 3 -3.367 -3.160 -4.737
20 HG21 ILE 3 HG21 ILE 3 -4.067 -3.040 -1.060
21 HG22 ILE 3 HG22 ILE 3 -4.494 -4.746 -0.953
22 HG23 ILE 3 HG23 ILE 3 -5.555 -3.626 -1.803
23 HD11 ILE 3 HD11 ILE 3 -5.777 -3.558 -4.714
24 HD12 ILE 3 HD12 ILE 3 -5.393 -1.850 -4.917
25 HD13 ILE 3 HD13 ILE 3 -5.941 -2.448 -3.353
26 H HCS 4 H HCS 4 -0.761 -4.914 -0.675
27 HCA HCS 4 HA HCS 4 -1.219 -7.768 -0.639
28 HB2 HCS 4 HB1 HCS 4 0.455 -6.041 1.194
29 HB3 HCS 4 HB2 HCS 4 0.498 -7.792 1.108
30 HG2 HCS 4 HG1 HCS 4 1.296 -7.654 -1.198
31 HG3 HCS 4 HG2 HCS 4 1.269 -5.902 -1.099
32 H HIS 5 H HIS 5 -1.658 -5.031 1.528
33 HA HIS 5 HA HIS 5 -4.177 -5.621 2.447
34 HB2 HIS 5 HB2 HIS 5 -3.805 -6.497 4.716
35 HB3 HIS 5 HB3 HIS 5 -3.274 -7.631 3.490
36 HD1 HIS 5 HD1 HIS 5 -2.160 -5.940 6.501
37 HD2 HIS 5 HD2 HIS 5 -0.397 -7.739 3.209
38 HE1 HIS 5 HE1 HIS 5 0.197 -6.449 7.204
39 HE2 HIS 5 HE2 HIS 5 1.150 -7.781 5.285
40 H VAL 6 H VAL 6 -3.115 -3.445 1.649
41 HA VAL 6 HA VAL 6 -1.802 -1.991 3.811
42 HB VAL 6 HB VAL 6 -2.166 -0.563 1.289
43 HG11 VAL 6 HG11 VAL 6 -0.653 0.227 2.986
44 HG12 VAL 6 HG12 VAL 6 0.271 -0.231 1.557
45 HG13 VAL 6 HG13 VAL 6 0.235 -1.300 2.961
46 HG21 VAL 6 HG21 VAL 6 -0.624 -3.153 1.284
47 HG22 VAL 6 HG22 VAL 6 -0.520 -1.910 0.033
48 HG23 VAL 6 HG23 VAL 6 -2.041 -2.763 0.308
49 H HIS 7 H HIS 7 -2.345 0.432 3.822
50 HA HIS 7 HA HIS 7 -4.999 0.797 4.653
51 HB2 HIS 7 HB2 HIS 7 -3.183 2.121 5.553
52 HB3 HIS 7 HB3 HIS 7 -2.846 2.795 3.970
53 HD1 HIS 7 HD1 HIS 7 -5.355 3.003 6.773
54 HD2 HIS 7 HD2 HIS 7 -4.321 4.979 3.264
55 HE1 HIS 7 HE1 HIS 7 -6.715 5.117 6.765
56 HE2 HIS 7 HE2 HIS 7 -6.238 6.182 4.536
57 H ARG 8 H ARG 8 -3.413 2.421 1.852
58 HA ARG 8 HA ARG 8 -5.985 3.175 0.806
59 HB2 ARG 8 HB2 ARG 8 -3.289 3.396 -0.532
60 HB3 ARG 8 HB3 ARG 8 -4.754 4.251 -0.978
61 HG2 ARG 8 HG2 ARG 8 -4.669 5.351 1.281
62 HG3 ARG 8 HG3 ARG 8 -3.056 4.643 1.456
63 HD2 ARG 8 HD2 ARG 8 -2.261 5.817 -0.453
64 HD3 ARG 8 HD3 ARG 8 -3.885 6.367 -0.850
65 HE ARG 8 HE ARG 8 -3.725 7.557 1.408
66 HH11 ARG 8 HH11 ARG 8 -1.023 7.081 -0.778
67 HH12 ARG 8 HH12 ARG 8 -0.150 8.458 -0.193
68 HH21 ARG 8 HH21 ARG 8 -2.585 9.391 2.139
69 HH22 ARG 8 HH22 ARG 8 -1.045 9.780 1.445
70 HA PRO 9 HA PRO 9 -6.201 -0.208 -2.110
71 HB2 PRO 9 HB2 PRO 9 -8.231 0.681 -3.614
72 HB3 PRO 9 HB3 PRO 9 -8.479 0.192 -1.934
73 HG2 PRO 9 HG2 PRO 9 -8.385 2.910 -3.119
74 HG3 PRO 9 HG3 PRO 9 -9.282 2.328 -1.709
75 HD2 PRO 9 HD2 PRO 9 -6.811 3.731 -1.724
76 HD3 PRO 9 HD3 PRO 9 -7.615 3.003 -0.324
77 H ASP 10 H ASP 10 -5.040 2.825 -2.733
78 HA ASP 10 HA ASP 10 -4.737 2.431 -5.621
79 HB2 ASP 10 HB2 ASP 10 -5.713 4.561 -4.935
80 HB3 ASP 10 HB3 ASP 10 -4.333 4.882 -3.892
81 H TRP 11 H TRP 11 -2.991 2.350 -2.663
82 HA TRP 11 HA TRP 11 -0.458 2.630 -4.110
83 HB2 TRP 11 HB2 TRP 11 0.542 3.485 -2.145
84 HB3 TRP 11 HB3 TRP 11 -1.013 4.264 -2.261
85 HD1 TRP 11 HD1 TRP 11 -1.935 1.090 -0.828
86 HE1 TRP 11 HE1 TRP 11 -1.992 1.209 1.723
87 HE3 TRP 11 HE3 TRP 11 0.678 5.425 -0.157
88 HZ2 TRP 11 HZ2 TRP 11 -1.054 2.920 3.771
89 HZ3 TRP 11 HZ3 TRP 11 1.067 6.228 2.131
90 HH2 TRP 11 HH2 TRP 11 0.219 4.994 4.051
91 HA PRO 12 HA PRO 12 0.634 -1.548 -3.162
92 HB2 PRO 12 HB2 PRO 12 3.293 -1.448 -2.994
93 HB3 PRO 12 HB3 PRO 12 2.469 -1.066 -4.508
94 HG2 PRO 12 HG2 PRO 12 3.563 0.798 -2.428
95 HG3 PRO 12 HG3 PRO 12 3.730 0.878 -4.184
96 HD2 PRO 12 HD2 PRO 12 1.899 2.327 -2.785
97 HD3 PRO 12 HD3 PRO 12 1.654 1.819 -4.465
98 H CYS 13 H CYS 13 2.583 -2.682 -1.681
99 HA CYS 13 HA CYS 13 1.817 -1.977 1.047
100 HB2 CYS 13 HB2 CYS 13 2.544 -4.178 1.684
101 HB3 CYS 13 HB3 CYS 13 1.486 -4.304 0.285
102 H TRP 14 H TRP 14 4.006 -0.742 -0.749
103 HA TRP 14 HA TRP 14 6.097 -0.810 1.290
104 HB2 TRP 14 HB2 TRP 14 7.801 -0.848 -0.639
105 HB3 TRP 14 HB3 TRP 14 6.993 -2.359 -0.230
106 HD1 TRP 14 HD1 TRP 14 5.218 -3.308 -1.982
107 HE1 TRP 14 HE1 TRP 14 4.899 -2.896 -4.495
108 HE3 TRP 14 HE3 TRP 14 7.928 0.987 -2.430
109 HZ2 TRP 14 HZ2 TRP 14 5.666 -0.973 -6.412
110 HZ3 TRP 14 HZ3 TRP 14 8.055 2.075 -4.623
111 HH2 TRP 14 HH2 TRP 14 6.955 1.108 -6.576
112 H TYR 15 H TYR 15 5.094 0.681 -1.752
113 HA TYR 15 HA TYR 15 5.395 2.749 -2.625
114 HB2 TYR 15 HB2 TYR 15 4.287 4.521 -1.087
115 HB3 TYR 15 HB3 TYR 15 3.328 3.206 -1.737
116 HD1 TYR 15 HD1 TYR 15 4.589 4.748 1.312
117 HD2 TYR 15 HD2 TYR 15 2.706 1.307 -0.325
118 HE1 TYR 15 HE1 TYR 15 3.877 4.070 3.565
119 HE2 TYR 15 HE2 TYR 15 1.997 0.623 1.904
120 HH TYR 15 HH TYR 15 2.671 0.987 4.255
121 H ARG 16 H ARG 16 7.563 3.020 -2.827
122 HA ARG 16 HA ARG 16 8.881 4.638 -0.750
123 HB2 ARG 16 HB2 ARG 16 10.062 2.400 -2.406
124 HB3 ARG 16 HB3 ARG 16 10.976 3.432 -1.314
125 HG2 ARG 16 HG2 ARG 16 10.023 2.487 0.587
126 HG3 ARG 16 HG3 ARG 16 8.639 1.851 -0.306
127 HD2 ARG 16 HD2 ARG 16 10.088 0.233 -1.414
128 HD3 ARG 16 HD3 ARG 16 11.490 0.881 -0.555
129 HE ARG 16 HE ARG 16 9.851 0.194 1.461
130 HH11 ARG 16 HH11 ARG 16 10.891 -1.559 -1.386
131 HH12 ARG 16 HH12 ARG 16 10.808 -3.112 -0.618
132 HH21 ARG 16 HH21 ARG 16 9.702 -1.840 2.467
133 HH22 ARG 16 HH22 ARG 16 10.127 -3.275 1.586