Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649647 | 6ve9 RC | 30702 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ABA 1 HT1 ABU 1 4.950 -5.521 -2.126
2 H2 ABA 1 HT2 ABU 1 4.918 -5.361 -0.435
3 H3 ABA 1 HT3 ABU 1 6.083 -4.528 -1.349
4 HA ABA 1 HA ABU 1 3.235 -4.046 -1.882
5 HB2 ABA 1 HB2 ABU 1 3.987 -2.030 -0.137
6 HG1 ABA 1 HG1 ABU 1 1.895 -3.714 -0.466
7 HG3 ABA 1 HG3 ABU 1 2.574 -4.369 1.025
8 HG2 ABA 1 HG2 ABU 1 2.081 -2.677 0.948
9 H DBU 2 HN DHB 2 5.295 -4.062 -3.720
10 HB DBU 2 HB DHB 2 6.541 -1.579 -6.381
11 HG1 DBU 2 HG1 DHB 2 4.594 -3.874 -6.197
12 HG2 DBU 2 HG2 DHB 2 6.245 -4.316 -6.635
13 HG3 DBU 2 HG3 DHB 2 5.333 -3.198 -7.650
14 HA PRO 3 HA PRO 3 7.725 1.439 -3.540
15 HB2 PRO 3 HB2 PRO 3 5.780 3.363 -3.912
16 HB3 PRO 3 HB1 PRO 3 6.893 2.815 -5.182
17 HG2 PRO 3 HG2 PRO 3 4.063 2.036 -4.678
18 HG3 PRO 3 HG1 PRO 3 4.899 2.323 -6.214
19 HD2 PRO 3 HD2 PRO 3 4.399 -0.183 -5.287
20 HD3 PRO 3 HD1 PRO 3 5.843 0.198 -6.253
21 H ALA 4 HN ALA 4 4.484 0.520 -2.574
22 HA ALA 4 HA ALA 4 4.349 2.179 -0.249
23 HB1 ALA 4 HB1 ALA 4 2.826 -0.352 -0.237
24 HB2 ALA 4 HB2 ALA 4 2.524 0.695 -1.623
25 HB3 ALA 4 HB3 ALA 4 2.267 1.302 0.013
26 H CYS 5 HN CYS 5 5.937 -0.748 -1.035
27 HA CYS 5 HA CYS 5 6.353 -1.424 1.802
28 HB2 CYS 5 HB2 CYS 5 6.483 -2.963 -0.759
29 HB3 CYS 5 HB1 CYS 5 7.492 -3.482 0.592
30 H PHE 6 HN PHE 6 7.646 0.851 0.436
31 HA PHE 6 HA PHE 6 10.275 0.272 -0.345
32 HB2 PHE 6 HB2 PHE 6 9.646 2.460 -0.815
33 HB3 PHE 6 HB1 PHE 6 8.923 2.704 0.774
34 HD1 PHE 6 HD1 PHE 6 12.241 1.160 0.188
35 HD2 PHE 6 HD2 PHE 6 10.122 4.695 1.394
36 HE1 PHE 6 HE1 PHE 6 14.359 2.143 1.017
37 HE2 PHE 6 HE2 PHE 6 12.241 5.684 2.219
38 HZ PHE 6 HZ PHE 6 14.361 4.408 2.030
39 H DBU 7 HN DHB 7 8.988 1.134 2.880
40 HB DBU 7 HB DHB 7 11.096 -0.796 5.767
41 HG1 DBU 7 HG1 DHB 7 9.536 -1.811 3.310
42 HG2 DBU 7 HG2 DHB 7 9.325 -2.454 4.941
43 HG3 DBU 7 HG3 DHB 7 10.836 -2.730 4.072
44 H ILE 8 HN ILE 8 9.629 1.751 6.131
45 HA ILE 8 HA ILE 8 10.930 4.231 5.746
46 HB ILE 8 HB ILE 8 9.699 2.977 8.206
47 HG12 ILE 8 HG12 ILE 8 8.687 5.230 6.453
48 HG13 ILE 8 HG11 ILE 8 8.280 3.538 6.150
49 HG21 ILE 8 HG21 ILE 8 9.634 5.511 8.863
50 HG22 ILE 8 HG22 ILE 8 10.973 5.661 7.723
51 HG23 ILE 8 HG23 ILE 8 11.121 4.601 9.125
52 HD11 ILE 8 HD11 ILE 8 7.893 4.639 8.910
53 HD12 ILE 8 HD12 ILE 8 7.010 3.355 8.085
54 HD13 ILE 8 HD13 ILE 8 6.712 5.041 7.664
55 H GLY 9 HN GLY 9 11.731 1.443 7.808
56 HA2 GLY 9 HA2 GLY 9 14.288 2.732 8.505
57 HA3 GLY 9 HA1 GLY 9 13.572 1.360 9.339
58 H LEU 10 HN LEU 10 13.318 -0.650 7.953
59 HA LEU 10 HA LEU 10 15.847 -1.460 6.987
60 HB2 LEU 10 HB2 LEU 10 14.916 -3.548 6.805
61 HB3 LEU 10 HB1 LEU 10 13.711 -2.808 7.856
62 HG LEU 10 HG LEU 10 12.507 -2.118 5.676
63 HD11 LEU 10 HD11 LEU 10 14.785 -3.613 4.643
64 HD12 LEU 10 HD12 LEU 10 13.626 -2.603 3.776
65 HD13 LEU 10 HD13 LEU 10 13.255 -4.299 4.098
66 HD21 LEU 10 HD21 LEU 10 11.191 -3.746 6.515
67 HD22 LEU 10 HD22 LEU 10 12.586 -4.610 7.163
68 HD23 LEU 10 HD23 LEU 10 12.073 -4.885 5.498
69 H GLY 11 HN GLY 11 12.902 -0.400 5.358
70 HA2 GLY 11 HA2 GLY 11 13.183 -0.987 2.772
71 HA3 GLY 11 HA1 GLY 11 12.754 0.644 3.275
72 H VAL 12 HN VAL 12 15.248 1.300 4.508
73 HA VAL 12 HA VAL 12 16.663 2.315 2.288
74 HB VAL 12 HB VAL 12 16.745 3.305 4.561
75 HG11 VAL 12 HG11 VAL 12 18.726 1.218 5.386
76 HG12 VAL 12 HG12 VAL 12 17.007 0.849 5.528
77 HG13 VAL 12 HG13 VAL 12 17.684 2.234 6.385
78 HG21 VAL 12 HG21 VAL 12 18.540 3.812 2.942
79 HG22 VAL 12 HG22 VAL 12 19.441 2.399 3.492
80 HG23 VAL 12 HG23 VAL 12 19.179 3.759 4.584
81 H GLY 13 HN GLY 13 17.259 -0.515 4.364
82 HA2 GLY 13 HA2 GLY 13 19.723 -1.266 3.184
83 HA3 GLY 13 HA1 GLY 13 18.657 -2.326 4.101
84 H ALA 14 HN ALA 14 16.366 -2.297 2.556
85 HA ALA 14 HA ALA 14 17.057 -4.121 0.476
86 HB1 ALA 14 HB1 ALA 14 14.427 -2.694 0.952
87 HB2 ALA 14 HB2 ALA 14 14.908 -4.210 1.715
88 HB3 ALA 14 HB3 ALA 14 14.671 -4.138 -0.030
89 H LEU 15 HN LEU 15 16.096 -0.728 0.556
90 HA LEU 15 HA LEU 15 16.203 -0.468 -2.341
91 HB2 LEU 15 HB2 LEU 15 14.536 0.901 -1.533
92 HB3 LEU 15 HB1 LEU 15 15.401 1.259 -0.044
93 HG LEU 15 HG LEU 15 16.813 2.230 -2.408
94 HD11 LEU 15 HD11 LEU 15 13.932 2.855 -2.010
95 HD12 LEU 15 HD12 LEU 15 14.882 2.841 -3.496
96 HD13 LEU 15 HD13 LEU 15 14.999 4.208 -2.388
97 HD21 LEU 15 HD21 LEU 15 16.127 4.349 -0.746
98 HD22 LEU 15 HD22 LEU 15 17.607 3.393 -0.643
99 HD23 LEU 15 HD23 LEU 15 16.212 2.968 0.349
100 H PHE 16 HN PHE 16 17.709 1.414 0.273
101 HA PHE 16 HA PHE 16 19.857 2.291 -1.409
102 HB2 PHE 16 HB2 PHE 16 19.199 3.787 0.309
103 HB3 PHE 16 HB1 PHE 16 19.295 2.529 1.543
104 HD1 PHE 16 HD1 PHE 16 21.335 4.553 -0.831
105 HD2 PHE 16 HD2 PHE 16 21.331 2.030 2.644
106 HE1 PHE 16 HE1 PHE 16 23.713 5.124 -0.416
107 HE2 PHE 16 HE2 PHE 16 23.710 2.602 3.062
108 HZ PHE 16 HZ PHE 16 24.900 4.150 1.531
109 H DAL 17 HN DAL 17 19.420 -0.313 0.908
110 HA DAL 17 HA DAL 17 20.879 -1.915 1.700
111 HB1 DAL 17 HB2 DAL 17 23.080 -0.259 0.471
112 HB2 DAL 17 HB3 DAL 17 22.447 -0.005 2.092
113 H ALA 18 HN ALA 18 19.793 -1.516 -1.171
114 HA ALA 18 HA ALA 18 20.659 -4.020 -2.181
115 HB1 ALA 18 HB1 ALA 18 18.611 -3.642 -3.047
116 HB2 ALA 18 HB2 ALA 18 19.493 -2.812 -4.329
117 HB3 ALA 18 HB3 ALA 18 18.805 -1.888 -2.993
118 H LYS 19 HN LYS 19 21.531 -0.679 -3.110
119 HA LYS 19 HA LYS 19 23.476 -1.814 -5.018
120 HB2 LYS 19 HB2 LYS 19 23.642 0.687 -5.709
121 HB3 LYS 19 HB1 LYS 19 22.204 -0.217 -6.183
122 HG2 LYS 19 HG2 LYS 19 22.007 1.025 -3.519
123 HG3 LYS 19 HG1 LYS 19 22.170 2.182 -4.839
124 HD2 LYS 19 HD2 LYS 19 20.298 1.032 -6.030
125 HD3 LYS 19 HD1 LYS 19 20.095 -0.022 -4.629
126 HE2 LYS 19 HE2 LYS 19 19.630 1.922 -3.206
127 HE3 LYS 19 HE1 LYS 19 19.886 3.004 -4.573
128 HZ1 LYS 19 HZ1 LYS 19 17.522 2.496 -4.125
129 HZ2 LYS 19 HZ2 LYS 19 17.826 0.868 -4.502
130 HZ3 LYS 19 HZ3 LYS 19 18.015 2.067 -5.690
131 H PHE 20 HN PHE 20 23.061 0.222 -2.250
132 HA PHE 20 HA PHE 20 25.944 0.674 -1.986
133 HB2 PHE 20 HB2 PHE 20 23.593 1.828 -0.472
134 HB3 PHE 20 HB1 PHE 20 25.280 2.251 -0.198
135 HD1 PHE 20 HD1 PHE 20 22.407 2.578 -2.465
136 HD2 PHE 20 HD2 PHE 20 26.566 3.490 -1.891
137 HE1 PHE 20 HE1 PHE 20 22.299 4.237 -4.306
138 HE2 PHE 20 HE2 PHE 20 26.456 5.149 -3.731
139 HZ PHE 20 HZ PHE 20 24.323 5.523 -4.939
140 H CYS 21 HN CYS 21 26.503 0.710 0.506
141 HA CYS 21 HA CYS 21 27.060 -0.608 2.305
142 HB2 CYS 21 HB2 CYS 21 25.248 -1.357 3.627
143 HB3 CYS 21 HB1 CYS 21 24.596 0.020 2.744
Start of MODEL 2
1 H1 ABA 1 HT1 ABU 1 4.529 -5.856 -2.868
2 H2 ABA 1 HT2 ABU 1 5.876 -5.125 -3.602
3 H3 ABA 1 HT3 ABU 1 4.460 -5.398 -4.500
4 HA ABA 1 HA ABU 1 3.293 -3.710 -3.465
5 HB2 ABA 1 HB2 ABU 1 4.591 -2.614 -1.398
6 HG1 ABA 1 HG1 ABU 1 2.488 -3.301 -0.804
7 HG3 ABA 1 HG3 ABU 1 2.642 -4.839 -1.653
8 HG2 ABA 1 HG2 ABU 1 3.371 -4.635 -0.060
9 H DBU 2 HN DHB 2 4.183 -1.286 -2.841
10 HB DBU 2 HB DHB 2 6.329 0.817 -5.673
11 HG1 DBU 2 HG1 DHB 2 5.034 -1.875 -6.265
12 HG2 DBU 2 HG2 DHB 2 5.892 -0.830 -7.398
13 HG3 DBU 2 HG3 DHB 2 4.255 -0.419 -6.885
14 HA PRO 3 HA PRO 3 7.080 2.831 -1.856
15 HB2 PRO 3 HB2 PRO 3 4.885 4.085 -0.741
16 HB3 PRO 3 HB1 PRO 3 5.594 4.510 -2.311
17 HG2 PRO 3 HG2 PRO 3 3.193 2.868 -1.698
18 HG3 PRO 3 HG1 PRO 3 3.475 4.014 -3.020
19 HD2 PRO 3 HD2 PRO 3 3.603 1.312 -3.371
20 HD3 PRO 3 HD1 PRO 3 4.584 2.450 -4.322
21 H ALA 4 HN ALA 4 4.546 0.660 -0.787
22 HA ALA 4 HA ALA 4 5.231 0.985 2.029
23 HB1 ALA 4 HB1 ALA 4 2.964 0.575 1.865
24 HB2 ALA 4 HB2 ALA 4 3.563 -1.064 2.119
25 HB3 ALA 4 HB3 ALA 4 3.153 -0.518 0.493
26 H CYS 5 HN CYS 5 5.904 -1.157 -0.635
27 HA CYS 5 HA CYS 5 6.949 -3.303 0.964
28 HB2 CYS 5 HB2 CYS 5 6.825 -2.660 -1.945
29 HB3 CYS 5 HB1 CYS 5 8.043 -3.820 -1.406
30 H PHE 6 HN PHE 6 8.227 -0.395 -0.503
31 HA PHE 6 HA PHE 6 10.959 -0.994 -0.489
32 HB2 PHE 6 HB2 PHE 6 10.477 0.998 -1.573
33 HB3 PHE 6 HB1 PHE 6 9.365 1.535 -0.315
34 HD1 PHE 6 HD1 PHE 6 12.744 0.140 0.305
35 HD2 PHE 6 HD2 PHE 6 10.339 3.694 0.122
36 HE1 PHE 6 HE1 PHE 6 14.559 1.422 1.391
37 HE2 PHE 6 HE2 PHE 6 12.162 4.981 1.207
38 HZ PHE 6 HZ PHE 6 14.273 3.845 1.843
39 H DBU 7 HN DHB 7 8.968 0.513 2.084
40 HB DBU 7 HB DHB 7 10.173 -0.521 5.783
41 HG1 DBU 7 HG1 DHB 7 8.139 -1.837 4.248
42 HG2 DBU 7 HG2 DHB 7 9.214 -2.644 5.390
43 HG3 DBU 7 HG3 DHB 7 9.656 -2.539 3.686
44 H ILE 8 HN ILE 8 9.241 2.172 5.105
45 HA ILE 8 HA ILE 8 11.033 4.209 4.303
46 HB ILE 8 HB ILE 8 9.204 3.976 6.698
47 HG12 ILE 8 HG12 ILE 8 8.964 5.649 4.181
48 HG13 ILE 8 HG11 ILE 8 8.241 4.045 4.346
49 HG21 ILE 8 HG21 ILE 8 11.142 5.546 7.061
50 HG22 ILE 8 HG22 ILE 8 9.568 6.342 7.062
51 HG23 ILE 8 HG23 ILE 8 10.608 6.447 5.642
52 HD11 ILE 8 HD11 ILE 8 7.583 5.577 6.675
53 HD12 ILE 8 HD12 ILE 8 6.494 4.930 5.448
54 HD13 ILE 8 HD13 ILE 8 7.192 6.537 5.248
55 H GLY 9 HN GLY 9 10.957 2.145 7.200
56 HA2 GLY 9 HA2 GLY 9 13.284 3.375 8.366
57 HA3 GLY 9 HA1 GLY 9 12.484 1.912 8.927
58 H LEU 10 HN LEU 10 13.316 -0.052 8.404
59 HA LEU 10 HA LEU 10 15.989 -0.227 7.509
60 HB2 LEU 10 HB2 LEU 10 15.841 -2.433 8.067
61 HB3 LEU 10 HB1 LEU 10 14.358 -1.907 8.859
62 HG LEU 10 HG LEU 10 13.183 -2.401 6.623
63 HD11 LEU 10 HD11 LEU 10 15.952 -3.276 6.069
64 HD12 LEU 10 HD12 LEU 10 14.674 -2.808 4.946
65 HD13 LEU 10 HD13 LEU 10 14.707 -4.441 5.616
66 HD21 LEU 10 HD21 LEU 10 13.969 -5.052 7.343
67 HD22 LEU 10 HD22 LEU 10 12.505 -4.189 7.813
68 HD23 LEU 10 HD23 LEU 10 13.953 -4.077 8.813
69 H GLY 11 HN GLY 11 12.907 -0.498 5.884
70 HA2 GLY 11 HA2 GLY 11 13.309 -1.752 3.557
71 HA3 GLY 11 HA1 GLY 11 12.470 -0.208 3.624
72 H VAL 12 HN VAL 12 15.020 1.106 4.571
73 HA VAL 12 HA VAL 12 15.945 2.048 2.073
74 HB VAL 12 HB VAL 12 16.138 3.238 4.290
75 HG11 VAL 12 HG11 VAL 12 17.903 2.656 5.799
76 HG12 VAL 12 HG12 VAL 12 18.585 1.493 4.660
77 HG13 VAL 12 HG13 VAL 12 17.043 1.156 5.452
78 HG21 VAL 12 HG21 VAL 12 18.818 2.934 2.917
79 HG22 VAL 12 HG22 VAL 12 18.139 4.379 3.664
80 HG23 VAL 12 HG23 VAL 12 17.465 3.769 2.153
81 H GLY 13 HN GLY 13 17.224 -0.405 4.296
82 HA2 GLY 13 HA2 GLY 13 19.679 -0.882 3.073
83 HA3 GLY 13 HA1 GLY 13 18.755 -2.091 3.960
84 H ALA 14 HN ALA 14 16.477 -2.252 2.363
85 HA ALA 14 HA ALA 14 17.399 -3.955 0.260
86 HB1 ALA 14 HB1 ALA 14 14.600 -2.960 0.206
87 HB2 ALA 14 HB2 ALA 14 15.091 -3.845 1.650
88 HB3 ALA 14 HB3 ALA 14 15.212 -4.608 0.064
89 H LEU 15 HN LEU 15 16.121 -0.703 0.474
90 HA LEU 15 HA LEU 15 15.924 -0.237 -2.340
91 HB2 LEU 15 HB2 LEU 15 14.577 1.048 -0.804
92 HB3 LEU 15 HB1 LEU 15 16.013 1.624 0.044
93 HG LEU 15 HG LEU 15 16.758 2.670 -2.134
94 HD11 LEU 15 HD11 LEU 15 14.355 1.271 -2.987
95 HD12 LEU 15 HD12 LEU 15 15.642 1.977 -3.965
96 HD13 LEU 15 HD13 LEU 15 14.299 2.980 -3.415
97 HD21 LEU 15 HD21 LEU 15 14.060 3.783 -1.443
98 HD22 LEU 15 HD22 LEU 15 15.591 4.628 -1.670
99 HD23 LEU 15 HD23 LEU 15 15.294 3.727 -0.183
100 H PHE 16 HN PHE 16 18.023 1.400 0.014
101 HA PHE 16 HA PHE 16 19.976 1.857 -2.112
102 HB2 PHE 16 HB2 PHE 16 19.327 3.128 0.479
103 HB3 PHE 16 HB1 PHE 16 21.029 3.127 0.017
104 HD1 PHE 16 HD1 PHE 16 17.656 4.310 -0.862
105 HD2 PHE 16 HD2 PHE 16 21.799 4.267 -1.991
106 HE1 PHE 16 HE1 PHE 16 17.233 6.146 -2.476
107 HE2 PHE 16 HE2 PHE 16 21.378 6.104 -3.605
108 HZ PHE 16 HZ PHE 16 19.094 7.043 -3.848
109 H DAL 17 HN DAL 17 19.575 0.023 0.828
110 HA DAL 17 HA DAL 17 20.945 -1.470 1.901
111 HB1 DAL 17 HB2 DAL 17 23.192 0.043 0.563
112 HB2 DAL 17 HB3 DAL 17 22.458 0.479 2.101
113 H ALA 18 HN ALA 18 19.916 -1.840 -0.866
114 HA ALA 18 HA ALA 18 21.047 -4.383 -1.357
115 HB1 ALA 18 HB1 ALA 18 19.703 -4.115 -3.564
116 HB2 ALA 18 HB2 ALA 18 19.117 -2.624 -2.825
117 HB3 ALA 18 HB3 ALA 18 18.835 -4.173 -2.030
118 H LYS 19 HN LYS 19 21.554 -1.259 -3.016
119 HA LYS 19 HA LYS 19 23.529 -2.597 -4.744
120 HB2 LYS 19 HB2 LYS 19 23.422 -0.650 -6.174
121 HB3 LYS 19 HB1 LYS 19 21.778 -1.189 -5.840
122 HG2 LYS 19 HG2 LYS 19 22.650 0.685 -3.814
123 HG3 LYS 19 HG1 LYS 19 22.833 1.387 -5.421
124 HD2 LYS 19 HD2 LYS 19 20.468 0.632 -5.918
125 HD3 LYS 19 HD1 LYS 19 20.316 0.207 -4.212
126 HE2 LYS 19 HE2 LYS 19 20.851 2.534 -3.584
127 HE3 LYS 19 HE1 LYS 19 20.999 2.959 -5.288
128 HZ1 LYS 19 HZ1 LYS 19 18.591 1.753 -5.188
129 HZ2 LYS 19 HZ2 LYS 19 18.840 3.433 -5.140
130 HZ3 LYS 19 HZ3 LYS 19 18.633 2.560 -3.697
131 H PHE 20 HN PHE 20 23.094 -0.275 -2.248
132 HA PHE 20 HA PHE 20 25.984 0.289 -2.203
133 HB2 PHE 20 HB2 PHE 20 23.650 1.822 -1.027
134 HB3 PHE 20 HB1 PHE 20 25.344 2.215 -0.734
135 HD1 PHE 20 HD1 PHE 20 22.565 2.486 -3.033
136 HD2 PHE 20 HD2 PHE 20 26.839 2.765 -2.709
137 HE1 PHE 20 HE1 PHE 20 22.646 3.740 -5.170
138 HE2 PHE 20 HE2 PHE 20 26.920 4.021 -4.846
139 HZ PHE 20 HZ PHE 20 24.823 4.508 -6.077
140 H CYS 21 HN CYS 21 26.651 0.741 0.187
141 HA CYS 21 HA CYS 21 27.200 -0.269 2.189
142 HB2 CYS 21 HB2 CYS 21 25.426 -0.505 3.696
143 HB3 CYS 21 HB1 CYS 21 24.776 0.641 2.524
Start of MODEL 3
1 H1 ABA 1 HT1 ABU 1 4.490 -5.955 -3.091
2 H2 ABA 1 HT2 ABU 1 5.960 -5.114 -3.230
3 H3 ABA 1 HT3 ABU 1 4.872 -5.150 -4.534
4 HA ABA 1 HA ABU 1 3.271 -3.857 -3.317
5 HB2 ABA 1 HB2 ABU 1 4.339 -2.872 -1.091
6 HG1 ABA 1 HG1 ABU 1 2.230 -4.019 -1.070
7 HG3 ABA 1 HG3 ABU 1 2.998 -5.565 -1.429
8 HG2 ABA 1 HG2 ABU 1 3.239 -4.806 0.145
9 H DBU 2 HN DHB 2 3.564 -1.448 -2.884
10 HB DBU 2 HB DHB 2 5.560 1.186 -5.237
11 HG1 DBU 2 HG1 DHB 2 5.166 -0.959 -6.826
12 HG2 DBU 2 HG2 DHB 2 4.022 0.379 -6.933
13 HG3 DBU 2 HG3 DHB 2 3.624 -1.048 -5.975
14 HA PRO 3 HA PRO 3 6.774 2.742 -1.425
15 HB2 PRO 3 HB2 PRO 3 4.103 3.400 -0.274
16 HB3 PRO 3 HB1 PRO 3 5.388 4.486 -0.841
17 HG2 PRO 3 HG2 PRO 3 3.170 4.097 -2.261
18 HG3 PRO 3 HG1 PRO 3 4.747 4.317 -3.039
19 HD2 PRO 3 HD2 PRO 3 3.157 1.808 -2.682
20 HD3 PRO 3 HD1 PRO 3 4.236 2.281 -4.014
21 H ALA 4 HN ALA 4 4.097 0.698 -0.289
22 HA ALA 4 HA ALA 4 4.948 0.618 2.438
23 HB1 ALA 4 HB1 ALA 4 2.936 -0.788 0.765
24 HB2 ALA 4 HB2 ALA 4 2.751 -0.008 2.335
25 HB3 ALA 4 HB3 ALA 4 3.471 -1.615 2.228
26 H CYS 5 HN CYS 5 5.723 -1.206 -0.437
27 HA CYS 5 HA CYS 5 7.058 -3.331 1.006
28 HB2 CYS 5 HB2 CYS 5 6.579 -2.669 -1.862
29 HB3 CYS 5 HB1 CYS 5 7.937 -3.728 -1.466
30 H PHE 6 HN PHE 6 7.901 -0.284 -0.483
31 HA PHE 6 HA PHE 6 10.654 -0.640 -0.803
32 HB2 PHE 6 HB2 PHE 6 9.778 1.333 -1.725
33 HB3 PHE 6 HB1 PHE 6 8.956 1.776 -0.229
34 HD1 PHE 6 HD1 PHE 6 12.380 0.438 -0.175
35 HD2 PHE 6 HD2 PHE 6 9.989 4.006 -0.170
36 HE1 PHE 6 HE1 PHE 6 14.350 1.754 0.551
37 HE2 PHE 6 HE2 PHE 6 11.961 5.327 0.547
38 HZ PHE 6 HZ PHE 6 14.142 4.201 0.909
39 H DBU 7 HN DHB 7 8.868 0.610 2.049
40 HB DBU 7 HB DHB 7 10.719 -0.490 5.486
41 HG1 DBU 7 HG1 DHB 7 8.775 -2.161 4.466
42 HG2 DBU 7 HG2 DHB 7 10.370 -2.781 4.892
43 HG3 DBU 7 HG3 DHB 7 10.006 -2.358 3.218
44 H ILE 8 HN ILE 8 9.322 1.940 5.283
45 HA ILE 8 HA ILE 8 10.548 4.351 4.435
46 HB ILE 8 HB ILE 8 9.253 3.569 7.051
47 HG12 ILE 8 HG12 ILE 8 8.269 5.369 4.820
48 HG13 ILE 8 HG11 ILE 8 7.886 3.647 4.907
49 HG21 ILE 8 HG21 ILE 8 10.939 5.788 6.505
50 HG22 ILE 8 HG22 ILE 8 9.930 5.529 7.927
51 HG23 ILE 8 HG23 ILE 8 9.285 6.399 6.536
52 HD11 ILE 8 HD11 ILE 8 6.078 4.942 5.929
53 HD12 ILE 8 HD12 ILE 8 7.227 5.735 7.007
54 HD13 ILE 8 HD13 ILE 8 6.912 4.007 7.170
55 H GLY 9 HN GLY 9 11.376 2.067 7.036
56 HA2 GLY 9 HA2 GLY 9 13.849 3.595 7.534
57 HA3 GLY 9 HA1 GLY 9 13.152 2.397 8.616
58 H LEU 10 HN LEU 10 13.022 0.129 7.638
59 HA LEU 10 HA LEU 10 15.630 -0.748 7.002
60 HB2 LEU 10 HB2 LEU 10 14.777 -2.870 7.182
61 HB3 LEU 10 HB1 LEU 10 13.484 -1.990 7.993
62 HG LEU 10 HG LEU 10 12.395 -1.795 5.663
63 HD11 LEU 10 HD11 LEU 10 14.761 -3.462 5.101
64 HD12 LEU 10 HD12 LEU 10 13.769 -2.508 3.997
65 HD13 LEU 10 HD13 LEU 10 13.247 -4.123 4.481
66 HD21 LEU 10 HD21 LEU 10 11.550 -4.201 5.839
67 HD22 LEU 10 HD22 LEU 10 11.402 -3.227 7.302
68 HD23 LEU 10 HD23 LEU 10 12.703 -4.408 7.157
69 H GLY 11 HN GLY 11 12.846 0.057 5.045
70 HA2 GLY 11 HA2 GLY 11 13.302 -1.090 2.632
71 HA3 GLY 11 HA1 GLY 11 12.743 0.570 2.795
72 H VAL 12 HN VAL 12 15.189 1.488 4.091
73 HA VAL 12 HA VAL 12 16.643 2.283 1.807
74 HB VAL 12 HB VAL 12 16.666 3.581 3.884
75 HG11 VAL 12 HG11 VAL 12 17.302 2.743 5.919
76 HG12 VAL 12 HG12 VAL 12 18.527 1.681 5.216
77 HG13 VAL 12 HG13 VAL 12 16.824 1.218 5.176
78 HG21 VAL 12 HG21 VAL 12 19.338 2.440 3.024
79 HG22 VAL 12 HG22 VAL 12 19.185 3.818 4.113
80 HG23 VAL 12 HG23 VAL 12 18.578 3.928 2.462
81 H GLY 13 HN GLY 13 17.130 -0.332 4.150
82 HA2 GLY 13 HA2 GLY 13 19.689 -1.141 3.206
83 HA3 GLY 13 HA1 GLY 13 18.581 -2.127 4.157
84 H ALA 14 HN ALA 14 16.388 -2.294 2.510
85 HA ALA 14 HA ALA 14 17.201 -4.282 0.633
86 HB1 ALA 14 HB1 ALA 14 15.056 -4.812 1.088
87 HB2 ALA 14 HB2 ALA 14 14.615 -3.557 -0.070
88 HB3 ALA 14 HB3 ALA 14 14.694 -3.180 1.650
89 H LEU 15 HN LEU 15 16.210 -0.929 0.415
90 HA LEU 15 HA LEU 15 16.372 -0.865 -2.483
91 HB2 LEU 15 HB2 LEU 15 14.676 0.517 -1.657
92 HB3 LEU 15 HB1 LEU 15 15.666 1.091 -0.318
93 HG LEU 15 HG LEU 15 16.966 1.757 -2.788
94 HD11 LEU 15 HD11 LEU 15 15.006 1.871 -4.028
95 HD12 LEU 15 HD12 LEU 15 15.045 3.492 -3.335
96 HD13 LEU 15 HD13 LEU 15 14.018 2.250 -2.618
97 HD21 LEU 15 HD21 LEU 15 17.140 2.830 -0.496
98 HD22 LEU 15 HD22 LEU 15 15.562 3.558 -0.799
99 HD23 LEU 15 HD23 LEU 15 16.935 3.967 -1.828
100 H PHE 16 HN PHE 16 17.822 1.228 -0.011
101 HA PHE 16 HA PHE 16 20.010 1.947 -1.721
102 HB2 PHE 16 HB2 PHE 16 19.305 3.626 -0.224
103 HB3 PHE 16 HB1 PHE 16 19.311 2.520 1.149
104 HD1 PHE 16 HD1 PHE 16 21.421 4.478 -1.164
105 HD2 PHE 16 HD2 PHE 16 21.360 1.911 2.277
106 HE1 PHE 16 HE1 PHE 16 23.777 5.080 -0.674
107 HE2 PHE 16 HE2 PHE 16 23.715 2.513 2.770
108 HZ PHE 16 HZ PHE 16 24.924 4.098 1.293
109 H DAL 17 HN DAL 17 19.525 -0.399 0.838
110 HA DAL 17 HA DAL 17 20.945 -1.921 1.817
111 HB1 DAL 17 HB2 DAL 17 23.187 -0.259 0.670
112 HB2 DAL 17 HB3 DAL 17 22.411 0.058 2.216
113 H ALA 18 HN ALA 18 20.106 -1.738 -1.157
114 HA ALA 18 HA ALA 18 21.109 -4.280 -1.918
115 HB1 ALA 18 HB1 ALA 18 19.166 -4.058 -3.021
116 HB2 ALA 18 HB2 ALA 18 20.093 -3.163 -4.226
117 HB3 ALA 18 HB3 ALA 18 19.233 -2.297 -2.953
118 H LYS 19 HN LYS 19 21.951 -0.983 -3.037
119 HA LYS 19 HA LYS 19 24.078 -2.187 -4.697
120 HB2 LYS 19 HB2 LYS 19 24.175 0.450 -5.309
121 HB3 LYS 19 HB1 LYS 19 23.152 -0.706 -6.161
122 HG2 LYS 19 HG2 LYS 19 22.118 0.625 -3.676
123 HG3 LYS 19 HG1 LYS 19 22.099 1.506 -5.203
124 HD2 LYS 19 HD2 LYS 19 20.999 -0.660 -6.159
125 HD3 LYS 19 HD1 LYS 19 20.644 -1.023 -4.469
126 HE2 LYS 19 HE2 LYS 19 19.738 1.360 -6.090
127 HE3 LYS 19 HE1 LYS 19 18.740 0.165 -5.261
128 HZ1 LYS 19 HZ1 LYS 19 20.507 1.355 -3.420
129 HZ2 LYS 19 HZ2 LYS 19 18.808 1.386 -3.434
130 HZ3 LYS 19 HZ3 LYS 19 19.689 2.580 -4.262
131 H PHE 20 HN PHE 20 23.367 0.015 -2.126
132 HA PHE 20 HA PHE 20 26.205 0.569 -1.652
133 HB2 PHE 20 HB2 PHE 20 23.715 1.756 -0.393
134 HB3 PHE 20 HB1 PHE 20 25.374 2.271 -0.077
135 HD1 PHE 20 HD1 PHE 20 22.586 2.344 -2.439
136 HD2 PHE 20 HD2 PHE 20 26.723 3.345 -1.861
137 HE1 PHE 20 HE1 PHE 20 22.505 3.823 -4.427
138 HE2 PHE 20 HE2 PHE 20 26.642 4.825 -3.850
139 HZ PHE 20 HZ PHE 20 24.533 5.065 -5.133
140 H CYS 21 HN CYS 21 26.592 0.761 0.842
141 HA CYS 21 HA CYS 21 27.044 -0.430 2.755
142 HB2 CYS 21 HB2 CYS 21 25.162 -1.071 4.011
143 HB3 CYS 21 HB1 CYS 21 24.549 0.209 2.967
Start of MODEL 4
1 H1 ABA 1 HT1 ABU 1 5.081 -5.723 -3.865
2 H2 ABA 1 HT2 ABU 1 5.425 -6.259 -2.289
3 H3 ABA 1 HT3 ABU 1 6.253 -4.922 -2.935
4 HA ABA 1 HA ABU 1 3.316 -4.922 -2.581
5 HB2 ABA 1 HB2 ABU 1 4.320 -3.352 -0.559
6 HG1 ABA 1 HG1 ABU 1 2.449 -5.052 -0.532
7 HG3 ABA 1 HG3 ABU 1 3.672 -6.302 -0.306
8 HG2 ABA 1 HG2 ABU 1 3.451 -5.053 0.920
9 H DBU 2 HN DHB 2 3.046 -2.375 -1.776
10 HB DBU 2 HB DHB 2 3.321 0.646 -4.504
11 HG1 DBU 2 HG1 DHB 2 1.855 -1.950 -4.815
12 HG2 DBU 2 HG2 DHB 2 3.259 -1.796 -5.870
13 HG3 DBU 2 HG3 DHB 2 1.949 -0.620 -5.969
14 HA PRO 3 HA PRO 3 5.058 2.479 -0.964
15 HB2 PRO 3 HB2 PRO 3 2.987 3.318 0.643
16 HB3 PRO 3 HB1 PRO 3 3.232 3.862 -1.029
17 HG2 PRO 3 HG2 PRO 3 1.358 1.819 0.041
18 HG3 PRO 3 HG1 PRO 3 1.125 2.999 -1.260
19 HD2 PRO 3 HD2 PRO 3 1.650 0.354 -1.731
20 HD3 PRO 3 HD1 PRO 3 2.132 1.650 -2.846
21 H ALA 4 HN ALA 4 3.347 -0.226 0.382
22 HA ALA 4 HA ALA 4 4.336 0.188 3.083
23 HB1 ALA 4 HB1 ALA 4 2.615 -1.152 3.578
24 HB2 ALA 4 HB2 ALA 4 3.378 -2.472 2.691
25 HB3 ALA 4 HB3 ALA 4 2.286 -1.364 1.859
26 H CYS 5 HN CYS 5 5.243 -1.586 0.215
27 HA CYS 5 HA CYS 5 7.086 -3.350 1.538
28 HB2 CYS 5 HB2 CYS 5 6.392 -2.707 -1.290
29 HB3 CYS 5 HB1 CYS 5 7.952 -3.469 -0.970
30 H PHE 6 HN PHE 6 7.270 -0.200 -0.010
31 HA PHE 6 HA PHE 6 10.055 0.029 -0.237
32 HB2 PHE 6 HB2 PHE 6 8.693 1.666 -1.313
33 HB3 PHE 6 HB1 PHE 6 7.902 2.101 0.203
34 HD1 PHE 6 HD1 PHE 6 11.528 1.509 -0.513
35 HD2 PHE 6 HD2 PHE 6 8.497 4.343 0.602
36 HE1 PHE 6 HE1 PHE 6 13.281 3.207 -0.063
37 HE2 PHE 6 HE2 PHE 6 10.249 6.041 1.047
38 HZ PHE 6 HZ PHE 6 12.640 5.473 0.713
39 H DBU 7 HN DHB 7 7.896 0.923 2.469
40 HB DBU 7 HB DHB 7 9.232 0.705 6.150
41 HG1 DBU 7 HG1 DHB 7 8.022 -1.377 4.373
42 HG2 DBU 7 HG2 DHB 7 6.827 -0.314 5.116
43 HG3 DBU 7 HG3 DHB 7 7.915 -1.262 6.130
44 H ILE 8 HN ILE 8 9.550 2.694 5.962
45 HA ILE 8 HA ILE 8 11.080 4.705 4.653
46 HB ILE 8 HB ILE 8 11.262 5.744 6.808
47 HG12 ILE 8 HG12 ILE 8 10.348 3.098 7.992
48 HG13 ILE 8 HG11 ILE 8 12.007 3.701 8.039
49 HG21 ILE 8 HG21 ILE 8 9.071 6.217 6.630
50 HG22 ILE 8 HG22 ILE 8 8.703 4.752 7.541
51 HG23 ILE 8 HG23 ILE 8 8.791 4.696 5.780
52 HD11 ILE 8 HD11 ILE 8 10.164 5.738 8.952
53 HD12 ILE 8 HD12 ILE 8 11.545 5.031 9.792
54 HD13 ILE 8 HD13 ILE 8 9.963 4.255 9.887
55 H GLY 9 HN GLY 9 11.943 2.044 6.844
56 HA2 GLY 9 HA2 GLY 9 14.793 2.674 6.479
57 HA3 GLY 9 HA1 GLY 9 14.124 1.593 7.696
58 H LEU 10 HN LEU 10 12.444 0.068 5.977
59 HA LEU 10 HA LEU 10 14.230 -1.917 5.108
60 HB2 LEU 10 HB2 LEU 10 11.929 -2.420 5.712
61 HB3 LEU 10 HB1 LEU 10 11.335 -1.421 4.387
62 HG LEU 10 HG LEU 10 11.432 -3.942 3.973
63 HD11 LEU 10 HD11 LEU 10 11.817 -1.742 2.301
64 HD12 LEU 10 HD12 LEU 10 11.411 -3.379 1.785
65 HD13 LEU 10 HD13 LEU 10 13.096 -2.864 1.836
66 HD21 LEU 10 HD21 LEU 10 14.374 -3.358 3.573
67 HD22 LEU 10 HD22 LEU 10 13.565 -4.921 3.459
68 HD23 LEU 10 HD23 LEU 10 13.742 -4.130 5.026
69 H GLY 11 HN GLY 11 12.470 0.597 3.337
70 HA2 GLY 11 HA2 GLY 11 13.163 -0.194 0.733
71 HA3 GLY 11 HA1 GLY 11 12.727 1.438 1.221
72 H VAL 12 HN VAL 12 14.818 1.955 3.025
73 HA VAL 12 HA VAL 12 16.829 2.819 1.240
74 HB VAL 12 HB VAL 12 16.145 3.535 3.741
75 HG11 VAL 12 HG11 VAL 12 17.698 2.809 5.379
76 HG12 VAL 12 HG12 VAL 12 18.761 2.085 4.172
77 HG13 VAL 12 HG13 VAL 12 17.210 1.332 4.549
78 HG21 VAL 12 HG21 VAL 12 17.617 4.672 1.994
79 HG22 VAL 12 HG22 VAL 12 18.981 3.833 2.733
80 HG23 VAL 12 HG23 VAL 12 18.039 4.988 3.677
81 H GLY 13 HN GLY 13 16.601 0.040 3.419
82 HA2 GLY 13 HA2 GLY 13 19.249 -0.897 3.075
83 HA3 GLY 13 HA1 GLY 13 17.875 -1.871 3.589
84 H ALA 14 HN ALA 14 16.239 -1.529 1.303
85 HA ALA 14 HA ALA 14 17.341 -3.526 -0.411
86 HB1 ALA 14 HB1 ALA 14 15.266 -2.575 -1.841
87 HB2 ALA 14 HB2 ALA 14 14.835 -1.953 -0.249
88 HB3 ALA 14 HB3 ALA 14 15.066 -3.685 -0.485
89 H LEU 15 HN LEU 15 16.874 -0.046 -0.638
90 HA LEU 15 HA LEU 15 17.955 0.098 -3.327
91 HB2 LEU 15 HB2 LEU 15 17.424 2.406 -1.464
92 HB3 LEU 15 HB1 LEU 15 17.398 2.388 -3.223
93 HG LEU 15 HG LEU 15 15.539 0.554 -1.801
94 HD11 LEU 15 HD11 LEU 15 14.863 3.466 -2.218
95 HD12 LEU 15 HD12 LEU 15 15.453 2.844 -0.676
96 HD13 LEU 15 HD13 LEU 15 13.934 2.248 -1.345
97 HD21 LEU 15 HD21 LEU 15 15.937 0.965 -4.385
98 HD22 LEU 15 HD22 LEU 15 14.883 2.352 -4.112
99 HD23 LEU 15 HD23 LEU 15 14.302 0.722 -3.771
100 H PHE 16 HN PHE 16 18.815 1.630 -0.237
101 HA PHE 16 HA PHE 16 21.445 2.330 -1.127
102 HB2 PHE 16 HB2 PHE 16 20.289 3.706 0.499
103 HB3 PHE 16 HB1 PHE 16 20.178 2.348 1.616
104 HD1 PHE 16 HD1 PHE 16 22.513 4.703 -0.033
105 HD2 PHE 16 HD2 PHE 16 22.053 1.616 2.916
106 HE1 PHE 16 HE1 PHE 16 24.767 5.226 0.862
107 HE2 PHE 16 HE2 PHE 16 24.307 2.140 3.815
108 HZ PHE 16 HZ PHE 16 25.664 3.944 2.787
109 H DAL 17 HN DAL 17 20.063 -0.304 0.745
110 HA DAL 17 HA DAL 17 21.034 -2.146 1.739
111 HB1 DAL 17 HB2 DAL 17 23.683 -0.768 1.292
112 HB2 DAL 17 HB3 DAL 17 22.675 -0.538 2.713
113 H ALA 18 HN ALA 18 20.771 -1.460 -1.241
114 HA ALA 18 HA ALA 18 21.550 -3.999 -2.225
115 HB1 ALA 18 HB1 ALA 18 20.245 -1.584 -3.270
116 HB2 ALA 18 HB2 ALA 18 19.852 -3.284 -3.526
117 HB3 ALA 18 HB3 ALA 18 21.126 -2.521 -4.478
118 H LYS 19 HN LYS 19 23.043 -0.771 -2.668
119 HA LYS 19 HA LYS 19 25.239 -2.103 -4.121
120 HB2 LYS 19 HB2 LYS 19 25.932 0.353 -4.557
121 HB3 LYS 19 HB1 LYS 19 24.536 -0.279 -5.427
122 HG2 LYS 19 HG2 LYS 19 23.947 0.929 -2.787
123 HG3 LYS 19 HG1 LYS 19 24.498 2.051 -4.031
124 HD2 LYS 19 HD2 LYS 19 22.769 1.110 -5.577
125 HD3 LYS 19 HD1 LYS 19 22.168 0.126 -4.243
126 HE2 LYS 19 HE2 LYS 19 21.680 2.142 -2.941
127 HE3 LYS 19 HE1 LYS 19 22.343 3.152 -4.224
128 HZ1 LYS 19 HZ1 LYS 19 20.649 2.146 -5.720
129 HZ2 LYS 19 HZ2 LYS 19 20.001 3.110 -4.480
130 HZ3 LYS 19 HZ3 LYS 19 19.944 1.416 -4.362
131 H PHE 20 HN PHE 20 24.411 -0.160 -1.373
132 HA PHE 20 HA PHE 20 27.173 -0.212 -0.387
133 HB2 PHE 20 HB2 PHE 20 24.730 1.249 0.653
134 HB3 PHE 20 HB1 PHE 20 26.356 1.369 1.323
135 HD1 PHE 20 HD1 PHE 20 24.153 2.302 -1.457
136 HD2 PHE 20 HD2 PHE 20 28.172 2.442 0.050
137 HE1 PHE 20 HE1 PHE 20 24.718 4.047 -3.125
138 HE2 PHE 20 HE2 PHE 20 28.737 4.187 -1.617
139 HZ PHE 20 HZ PHE 20 27.010 4.991 -3.205
140 H CYS 21 HN CYS 21 27.142 -0.465 2.127
141 HA CYS 21 HA CYS 21 27.038 -2.003 3.836
142 HB2 CYS 21 HB2 CYS 21 24.885 -2.390 4.690
143 HB3 CYS 21 HB1 CYS 21 24.692 -0.891 3.781
Start of MODEL 5
1 H1 ABA 1 HT1 ABU 1 3.718 -5.183 -3.261
2 H2 ABA 1 HT2 ABU 1 4.546 -6.022 -2.037
3 H3 ABA 1 HT3 ABU 1 5.208 -4.603 -2.696
4 HA ABA 1 HA ABU 1 2.627 -4.670 -1.242
5 HB2 ABA 1 HB2 ABU 1 4.463 -3.351 0.350
6 HG1 ABA 1 HG1 ABU 1 2.673 -5.460 0.531
7 HG3 ABA 1 HG3 ABU 1 4.211 -6.200 0.976
8 HG2 ABA 1 HG2 ABU 1 3.616 -4.799 1.866
9 H DBU 2 HN DHB 2 4.406 -3.292 -3.604
10 HB DBU 2 HB DHB 2 3.435 0.221 -5.049
11 HG1 DBU 2 HG1 DHB 2 1.903 -2.311 -5.205
12 HG2 DBU 2 HG2 DHB 2 3.310 -2.354 -6.268
13 HG3 DBU 2 HG3 DHB 2 2.092 -1.095 -6.469
14 HA PRO 3 HA PRO 3 5.652 2.185 -1.939
15 HB2 PRO 3 HB2 PRO 3 3.622 3.430 -0.544
16 HB3 PRO 3 HB1 PRO 3 3.998 3.742 -2.250
17 HG2 PRO 3 HG2 PRO 3 1.878 2.021 -1.064
18 HG3 PRO 3 HG1 PRO 3 1.808 3.088 -2.478
19 HD2 PRO 3 HD2 PRO 3 2.060 0.395 -2.717
20 HD3 PRO 3 HD1 PRO 3 2.797 1.520 -3.881
21 H ALA 4 HN ALA 4 3.347 0.137 -0.230
22 HA ALA 4 HA ALA 4 4.326 0.685 2.398
23 HB1 ALA 4 HB1 ALA 4 2.125 -0.193 2.239
24 HB2 ALA 4 HB2 ALA 4 3.101 -1.483 2.940
25 HB3 ALA 4 HB3 ALA 4 2.656 -1.542 1.235
26 H CYS 5 HN CYS 5 5.235 -1.510 -0.159
27 HA CYS 5 HA CYS 5 6.818 -3.258 1.453
28 HB2 CYS 5 HB2 CYS 5 6.373 -2.835 -1.446
29 HB3 CYS 5 HB1 CYS 5 7.915 -3.561 -0.987
30 H PHE 6 HN PHE 6 7.350 -0.165 -0.048
31 HA PHE 6 HA PHE 6 10.144 -0.122 -0.203
32 HB2 PHE 6 HB2 PHE 6 9.035 1.706 -1.183
33 HB3 PHE 6 HB1 PHE 6 8.091 2.029 0.272
34 HD1 PHE 6 HD1 PHE 6 11.678 1.840 -0.856
35 HD2 PHE 6 HD2 PHE 6 8.786 3.706 1.717
36 HE1 PHE 6 HE1 PHE 6 13.417 3.420 -0.042
37 HE2 PHE 6 HE2 PHE 6 10.519 5.282 2.523
38 HZ PHE 6 HZ PHE 6 12.831 5.140 1.645
39 H DBU 7 HN DHB 7 8.019 0.809 2.528
40 HB DBU 7 HB DHB 7 9.420 0.176 6.181
41 HG1 DBU 7 HG1 DHB 7 7.035 -0.780 5.587
42 HG2 DBU 7 HG2 DHB 7 8.321 -1.984 5.685
43 HG3 DBU 7 HG3 DHB 7 7.790 -1.388 4.112
44 H ILE 8 HN ILE 8 9.518 2.457 5.957
45 HA ILE 8 HA ILE 8 11.243 4.363 4.779
46 HB ILE 8 HB ILE 8 10.504 3.852 7.665
47 HG12 ILE 8 HG12 ILE 8 8.671 4.547 6.127
48 HG13 ILE 8 HG11 ILE 8 9.039 5.793 7.322
49 HG21 ILE 8 HG21 ILE 8 11.373 6.535 7.136
50 HG22 ILE 8 HG22 ILE 8 12.637 5.419 6.619
51 HG23 ILE 8 HG23 ILE 8 12.042 5.371 8.279
52 HD11 ILE 8 HD11 ILE 8 9.413 7.246 5.649
53 HD12 ILE 8 HD12 ILE 8 9.147 5.976 4.454
54 HD13 ILE 8 HD13 ILE 8 10.762 6.244 5.112
55 H GLY 9 HN GLY 9 11.863 1.727 7.088
56 HA2 GLY 9 HA2 GLY 9 14.720 2.324 7.108
57 HA3 GLY 9 HA1 GLY 9 13.906 1.077 8.046
58 H LEU 10 HN LEU 10 12.612 -0.397 6.176
59 HA LEU 10 HA LEU 10 14.675 -2.007 5.097
60 HB2 LEU 10 HB2 LEU 10 13.007 -3.481 4.560
61 HB3 LEU 10 HB1 LEU 10 12.104 -2.479 5.694
62 HG LEU 10 HG LEU 10 11.502 -1.043 3.626
63 HD11 LEU 10 HD11 LEU 10 12.322 -1.706 1.639
64 HD12 LEU 10 HD12 LEU 10 11.506 -3.258 1.822
65 HD13 LEU 10 HD13 LEU 10 13.148 -3.049 2.429
66 HD21 LEU 10 HD21 LEU 10 9.493 -2.101 3.679
67 HD22 LEU 10 HD22 LEU 10 10.238 -3.120 4.910
68 HD23 LEU 10 HD23 LEU 10 10.198 -3.653 3.230
69 H GLY 11 HN GLY 11 12.656 0.524 3.725
70 HA2 GLY 11 HA2 GLY 11 13.127 0.099 1.000
71 HA3 GLY 11 HA1 GLY 11 12.772 1.660 1.731
72 H VAL 12 HN VAL 12 14.974 2.063 3.333
73 HA VAL 12 HA VAL 12 16.883 2.974 1.448
74 HB VAL 12 HB VAL 12 16.327 3.674 3.967
75 HG11 VAL 12 HG11 VAL 12 18.169 2.961 5.455
76 HG12 VAL 12 HG12 VAL 12 18.766 1.882 4.194
77 HG13 VAL 12 HG13 VAL 12 17.195 1.584 4.938
78 HG21 VAL 12 HG21 VAL 12 18.282 5.054 3.869
79 HG22 VAL 12 HG22 VAL 12 17.779 4.787 2.199
80 HG23 VAL 12 HG23 VAL 12 19.138 3.882 2.867
81 H GLY 13 HN GLY 13 16.733 0.149 3.563
82 HA2 GLY 13 HA2 GLY 13 19.354 -0.809 3.094
83 HA3 GLY 13 HA1 GLY 13 17.989 -1.777 3.642
84 H ALA 14 HN ALA 14 16.268 -1.363 1.423
85 HA ALA 14 HA ALA 14 17.285 -3.342 -0.362
86 HB1 ALA 14 HB1 ALA 14 14.891 -3.143 0.089
87 HB2 ALA 14 HB2 ALA 14 15.211 -2.929 -1.632
88 HB3 ALA 14 HB3 ALA 14 14.879 -1.526 -0.615
89 H LEU 15 HN LEU 15 16.925 0.150 -0.485
90 HA LEU 15 HA LEU 15 17.915 0.310 -3.224
91 HB2 LEU 15 HB2 LEU 15 17.399 2.597 -1.328
92 HB3 LEU 15 HB1 LEU 15 17.344 2.599 -3.086
93 HG LEU 15 HG LEU 15 15.515 0.796 -1.553
94 HD11 LEU 15 HD11 LEU 15 14.969 3.697 -2.225
95 HD12 LEU 15 HD12 LEU 15 15.283 3.079 -0.603
96 HD13 LEU 15 HD13 LEU 15 13.837 2.569 -1.477
97 HD21 LEU 15 HD21 LEU 15 14.273 1.977 -3.783
98 HD22 LEU 15 HD22 LEU 15 14.910 0.335 -3.676
99 HD23 LEU 15 HD23 LEU 15 15.925 1.635 -4.298
100 H PHE 16 HN PHE 16 18.826 1.826 -0.135
101 HA PHE 16 HA PHE 16 21.454 2.510 -1.060
102 HB2 PHE 16 HB2 PHE 16 20.354 3.889 0.610
103 HB3 PHE 16 HB1 PHE 16 20.229 2.515 1.707
104 HD1 PHE 16 HD1 PHE 16 22.546 4.937 0.161
105 HD2 PHE 16 HD2 PHE 16 22.157 1.631 2.875
106 HE1 PHE 16 HE1 PHE 16 24.822 5.393 1.039
107 HE2 PHE 16 HE2 PHE 16 24.432 2.088 3.757
108 HZ PHE 16 HZ PHE 16 25.765 3.969 2.840
109 H DAL 17 HN DAL 17 20.035 -0.114 0.797
110 HA DAL 17 HA DAL 17 20.996 -1.955 1.818
111 HB1 DAL 17 HB2 DAL 17 23.669 -0.710 1.182
112 HB2 DAL 17 HB3 DAL 17 22.754 -0.380 2.646
113 H ALA 18 HN ALA 18 20.569 -1.348 -1.155
114 HA ALA 18 HA ALA 18 21.223 -3.929 -2.125
115 HB1 ALA 18 HB1 ALA 18 20.743 -2.440 -4.381
116 HB2 ALA 18 HB2 ALA 18 19.903 -1.518 -3.134
117 HB3 ALA 18 HB3 ALA 18 19.505 -3.216 -3.392
118 H LYS 19 HN LYS 19 22.781 -0.761 -2.652
119 HA LYS 19 HA LYS 19 24.852 -2.122 -4.247
120 HB2 LYS 19 HB2 LYS 19 25.527 0.320 -4.747
121 HB3 LYS 19 HB1 LYS 19 24.034 -0.278 -5.471
122 HG2 LYS 19 HG2 LYS 19 23.593 0.825 -2.801
123 HG3 LYS 19 HG1 LYS 19 24.286 2.010 -3.908
124 HD2 LYS 19 HD2 LYS 19 22.515 1.306 -5.594
125 HD3 LYS 19 HD1 LYS 19 21.749 0.406 -4.285
126 HE2 LYS 19 HE2 LYS 19 20.650 2.497 -4.248
127 HE3 LYS 19 HE1 LYS 19 21.849 2.627 -2.962
128 HZ1 LYS 19 HZ1 LYS 19 23.038 3.386 -5.385
129 HZ2 LYS 19 HZ2 LYS 19 22.751 4.336 -4.006
130 HZ3 LYS 19 HZ3 LYS 19 21.576 4.232 -5.229
131 H PHE 20 HN PHE 20 24.259 -0.195 -1.430
132 HA PHE 20 HA PHE 20 27.083 -0.306 -0.638
133 HB2 PHE 20 HB2 PHE 20 24.784 1.243 0.577
134 HB3 PHE 20 HB1 PHE 20 26.477 1.359 1.048
135 HD1 PHE 20 HD1 PHE 20 23.942 2.406 -1.326
136 HD2 PHE 20 HD2 PHE 20 28.173 2.203 -0.619
137 HE1 PHE 20 HE1 PHE 20 24.321 4.090 -3.104
138 HE2 PHE 20 HE2 PHE 20 28.552 3.889 -2.398
139 HZ PHE 20 HZ PHE 20 26.626 4.834 -3.640
140 H CYS 21 HN CYS 21 27.148 -0.444 1.913
141 HA CYS 21 HA CYS 21 27.072 -1.897 3.692
142 HB2 CYS 21 HB2 CYS 21 24.931 -2.258 4.611
143 HB3 CYS 21 HB1 CYS 21 24.744 -0.775 3.681
Start of MODEL 6
1 H1 ABA 1 HT1 ABU 1 5.958 -5.453 -3.340
2 H2 ABA 1 HT2 ABU 1 4.391 -5.790 -3.905
3 H3 ABA 1 HT3 ABU 1 4.773 -6.018 -2.265
4 HA ABA 1 HA ABU 1 3.541 -3.854 -3.189
5 HB2 ABA 1 HB2 ABU 1 4.741 -2.744 -1.102
6 HG1 ABA 1 HG1 ABU 1 3.385 -4.921 0.090
7 HG3 ABA 1 HG3 ABU 1 2.722 -3.332 -0.295
8 HG2 ABA 1 HG2 ABU 1 2.601 -4.647 -1.466
9 H DBU 2 HN DHB 2 4.173 -1.570 -3.389
10 HB DBU 2 HB DHB 2 6.801 0.128 -5.972
11 HG1 DBU 2 HG1 DHB 2 4.951 -2.298 -6.352
12 HG2 DBU 2 HG2 DHB 2 6.393 -1.995 -7.321
13 HG3 DBU 2 HG3 DHB 2 5.004 -0.917 -7.447
14 HA PRO 3 HA PRO 3 7.524 2.417 -2.302
15 HB2 PRO 3 HB2 PRO 3 5.416 4.014 -1.537
16 HB3 PRO 3 HB1 PRO 3 6.260 4.157 -3.092
17 HG2 PRO 3 HG2 PRO 3 3.663 2.855 -2.458
18 HG3 PRO 3 HG1 PRO 3 4.142 3.791 -3.884
19 HD2 PRO 3 HD2 PRO 3 4.008 1.060 -3.887
20 HD3 PRO 3 HD1 PRO 3 5.138 1.971 -4.913
21 H ALA 4 HN ALA 4 4.768 0.556 -1.269
22 HA ALA 4 HA ALA 4 5.122 1.198 1.546
23 HB1 ALA 4 HB1 ALA 4 2.945 0.442 0.133
24 HB2 ALA 4 HB2 ALA 4 3.104 0.194 1.872
25 HB3 ALA 4 HB3 ALA 4 3.461 -1.124 0.757
26 H CYS 5 HN CYS 5 6.084 -1.269 -0.725
27 HA CYS 5 HA CYS 5 6.903 -3.163 1.296
28 HB2 CYS 5 HB2 CYS 5 7.054 -3.014 -1.682
29 HB3 CYS 5 HB1 CYS 5 8.163 -4.098 -0.837
30 H PHE 6 HN PHE 6 8.306 -0.477 -0.399
31 HA PHE 6 HA PHE 6 11.024 -1.086 -0.189
32 HB2 PHE 6 HB2 PHE 6 10.644 0.810 -1.463
33 HB3 PHE 6 HB1 PHE 6 9.454 1.460 -0.334
34 HD1 PHE 6 HD1 PHE 6 12.780 0.105 0.581
35 HD2 PHE 6 HD2 PHE 6 10.406 3.639 0.037
36 HE1 PHE 6 HE1 PHE 6 14.536 1.448 1.687
37 HE2 PHE 6 HE2 PHE 6 12.168 4.992 1.142
38 HZ PHE 6 HZ PHE 6 14.235 3.897 1.969
39 H DBU 7 HN DHB 7 8.931 0.668 2.138
40 HB DBU 7 HB DHB 7 9.911 0.006 5.974
41 HG1 DBU 7 HG1 DHB 7 7.901 -1.455 5.348
42 HG2 DBU 7 HG2 DHB 7 9.402 -2.378 5.287
43 HG3 DBU 7 HG3 DHB 7 8.674 -1.778 3.796
44 H ILE 8 HN ILE 8 9.213 2.632 5.007
45 HA ILE 8 HA ILE 8 11.209 4.453 4.136
46 HB ILE 8 HB ILE 8 9.241 4.587 6.430
47 HG12 ILE 8 HG12 ILE 8 8.271 4.496 4.140
48 HG13 ILE 8 HG11 ILE 8 8.001 6.062 4.905
49 HG21 ILE 8 HG21 ILE 8 11.254 6.563 5.374
50 HG22 ILE 8 HG22 ILE 8 10.889 6.144 7.048
51 HG23 ILE 8 HG23 ILE 8 9.755 7.122 6.116
52 HD11 ILE 8 HD11 ILE 8 8.819 6.837 2.910
53 HD12 ILE 8 HD12 ILE 8 9.729 5.360 2.592
54 HD13 ILE 8 HD13 ILE 8 10.366 6.566 3.711
55 H GLY 9 HN GLY 9 10.768 2.684 7.187
56 HA2 GLY 9 HA2 GLY 9 13.051 3.833 8.466
57 HA3 GLY 9 HA1 GLY 9 12.170 2.403 8.999
58 H LEU 10 HN LEU 10 13.035 0.435 8.660
59 HA LEU 10 HA LEU 10 15.748 0.194 7.892
60 HB2 LEU 10 HB2 LEU 10 15.574 -1.983 8.569
61 HB3 LEU 10 HB1 LEU 10 14.097 -1.378 9.317
62 HG LEU 10 HG LEU 10 12.935 -1.991 7.097
63 HD11 LEU 10 HD11 LEU 10 14.422 -4.142 6.277
64 HD12 LEU 10 HD12 LEU 10 15.686 -2.970 6.656
65 HD13 LEU 10 HD13 LEU 10 14.432 -2.566 5.482
66 HD21 LEU 10 HD21 LEU 10 12.559 -4.259 7.852
67 HD22 LEU 10 HD22 LEU 10 12.781 -3.253 9.283
68 HD23 LEU 10 HD23 LEU 10 14.097 -4.278 8.715
69 H GLY 11 HN GLY 11 12.731 -0.136 6.174
70 HA2 GLY 11 HA2 GLY 11 13.204 -1.584 3.969
71 HA3 GLY 11 HA1 GLY 11 12.384 -0.033 3.887
72 H VAL 12 HN VAL 12 14.948 1.293 4.839
73 HA VAL 12 HA VAL 12 15.979 2.017 2.300
74 HB VAL 12 HB VAL 12 16.112 3.240 4.622
75 HG11 VAL 12 HG11 VAL 12 18.140 2.880 5.844
76 HG12 VAL 12 HG12 VAL 12 18.783 1.809 4.596
77 HG13 VAL 12 HG13 VAL 12 17.427 1.287 5.597
78 HG21 VAL 12 HG21 VAL 12 16.984 4.051 2.407
79 HG22 VAL 12 HG22 VAL 12 18.506 3.231 2.757
80 HG23 VAL 12 HG23 VAL 12 17.969 4.565 3.777
81 H GLY 13 HN GLY 13 17.043 -0.301 4.747
82 HA2 GLY 13 HA2 GLY 13 19.558 -0.935 3.769
83 HA3 GLY 13 HA1 GLY 13 18.504 -2.072 4.604
84 H ALA 14 HN ALA 14 16.451 -2.531 2.941
85 HA ALA 14 HA ALA 14 17.585 -4.177 0.917
86 HB1 ALA 14 HB1 ALA 14 15.147 -4.052 2.173
87 HB2 ALA 14 HB2 ALA 14 15.501 -5.039 0.753
88 HB3 ALA 14 HB3 ALA 14 14.761 -3.449 0.560
89 H LEU 15 HN LEU 15 15.945 -1.054 0.873
90 HA LEU 15 HA LEU 15 15.870 -0.694 -1.936
91 HB2 LEU 15 HB2 LEU 15 14.462 0.669 -0.608
92 HB3 LEU 15 HB1 LEU 15 15.798 1.193 0.416
93 HG LEU 15 HG LEU 15 16.817 2.281 -1.614
94 HD11 LEU 15 HD11 LEU 15 14.132 1.503 -2.769
95 HD12 LEU 15 HD12 LEU 15 15.722 1.005 -3.346
96 HD13 LEU 15 HD13 LEU 15 15.213 2.685 -3.506
97 HD21 LEU 15 HD21 LEU 15 14.013 3.275 -1.042
98 HD22 LEU 15 HD22 LEU 15 15.430 4.233 -1.474
99 HD23 LEU 15 HD23 LEU 15 15.341 3.454 0.106
100 H PHE 16 HN PHE 16 17.945 0.951 0.421
101 HA PHE 16 HA PHE 16 19.790 1.815 -1.591
102 HB2 PHE 16 HB2 PHE 16 19.354 2.234 1.267
103 HB3 PHE 16 HB1 PHE 16 21.062 2.132 0.841
104 HD1 PHE 16 HD1 PHE 16 17.866 3.750 -0.270
105 HD2 PHE 16 HD2 PHE 16 22.149 3.998 -0.051
106 HE1 PHE 16 HE1 PHE 16 17.779 6.051 -1.191
107 HE2 PHE 16 HE2 PHE 16 22.062 6.301 -0.973
108 HZ PHE 16 HZ PHE 16 19.876 7.327 -1.542
109 H DAL 17 HN DAL 17 19.545 -0.928 0.551
110 HA DAL 17 HA DAL 17 20.810 -2.854 0.697
111 HB1 DAL 17 HB2 DAL 17 23.091 -0.890 0.460
112 HB2 DAL 17 HB3 DAL 17 22.220 -1.236 1.944
113 H ALA 18 HN ALA 18 19.954 -1.869 -1.930
114 HA ALA 18 HA ALA 18 21.265 -3.809 -3.530
115 HB1 ALA 18 HB1 ALA 18 19.672 -3.317 -5.134
116 HB2 ALA 18 HB2 ALA 18 19.649 -1.599 -4.736
117 HB3 ALA 18 HB3 ALA 18 18.857 -2.762 -3.673
118 H LYS 19 HN LYS 19 21.548 -0.271 -3.363
119 HA LYS 19 HA LYS 19 23.613 -0.367 -5.463
120 HB2 LYS 19 HB2 LYS 19 23.380 2.129 -5.434
121 HB3 LYS 19 HB1 LYS 19 21.896 1.287 -5.877
122 HG2 LYS 19 HG2 LYS 19 22.070 1.620 -2.999
123 HG3 LYS 19 HG1 LYS 19 22.204 3.174 -3.819
124 HD2 LYS 19 HD2 LYS 19 20.176 2.113 -5.246
125 HD3 LYS 19 HD1 LYS 19 19.903 1.286 -3.709
126 HE2 LYS 19 HE2 LYS 19 19.851 3.426 -2.529
127 HE3 LYS 19 HE1 LYS 19 20.230 4.286 -4.022
128 HZ1 LYS 19 HZ1 LYS 19 17.764 2.800 -3.342
129 HZ2 LYS 19 HZ2 LYS 19 18.155 3.211 -4.944
130 HZ3 LYS 19 HZ3 LYS 19 17.920 4.430 -3.784
131 H PHE 20 HN PHE 20 23.125 -0.145 -2.149
132 HA PHE 20 HA PHE 20 25.937 0.616 -1.700
133 HB2 PHE 20 HB2 PHE 20 23.496 1.386 -0.085
134 HB3 PHE 20 HB1 PHE 20 25.154 1.597 0.477
135 HD1 PHE 20 HD1 PHE 20 22.547 2.833 -1.747
136 HD2 PHE 20 HD2 PHE 20 26.717 3.104 -0.757
137 HE1 PHE 20 HE1 PHE 20 22.715 4.939 -3.040
138 HE2 PHE 20 HE2 PHE 20 26.887 5.215 -2.047
139 HZ PHE 20 HZ PHE 20 24.886 6.134 -3.189
140 H CYS 21 HN CYS 21 26.456 -0.044 0.684
141 HA CYS 21 HA CYS 21 26.961 -1.819 2.060
142 HB2 CYS 21 HB2 CYS 21 25.119 -2.804 3.138
143 HB3 CYS 21 HB1 CYS 21 24.476 -1.254 2.585
Start of MODEL 7
1 H1 ABA 1 HT1 ABU 1 5.272 -4.689 -2.559
2 H2 ABA 1 HT2 ABU 1 3.822 -5.327 -3.173
3 H3 ABA 1 HT3 ABU 1 4.559 -6.036 -1.815
4 HA ABA 1 HA ABU 1 2.585 -4.608 -1.317
5 HB2 ABA 1 HB2 ABU 1 4.319 -3.170 0.302
6 HG1 ABA 1 HG1 ABU 1 4.054 -5.357 1.758
7 HG3 ABA 1 HG3 ABU 1 2.637 -4.385 1.363
8 HG2 ABA 1 HG2 ABU 1 2.982 -5.852 0.448
9 H DBU 2 HN DHB 2 5.441 -3.034 -2.689
10 HB DBU 2 HB DHB 2 4.698 0.210 -4.875
11 HG1 DBU 2 HG1 DHB 2 3.231 -1.934 -5.778
12 HG2 DBU 2 HG2 DHB 2 4.755 -2.761 -5.454
13 HG3 DBU 2 HG3 DHB 2 4.699 -1.437 -6.619
14 HA PRO 3 HA PRO 3 5.139 2.622 -1.395
15 HB2 PRO 3 HB2 PRO 3 2.356 2.398 -0.349
16 HB3 PRO 3 HB1 PRO 3 3.179 3.789 -1.083
17 HG2 PRO 3 HG2 PRO 3 1.346 2.399 -2.420
18 HG3 PRO 3 HG1 PRO 3 2.775 3.069 -3.226
19 HD2 PRO 3 HD2 PRO 3 2.196 0.233 -2.470
20 HD3 PRO 3 HD1 PRO 3 3.100 0.870 -3.863
21 H ALA 4 HN ALA 4 3.365 -0.081 0.073
22 HA ALA 4 HA ALA 4 4.275 0.605 2.748
23 HB1 ALA 4 HB1 ALA 4 3.167 -1.683 3.243
24 HB2 ALA 4 HB2 ALA 4 2.572 -1.587 1.586
25 HB3 ALA 4 HB3 ALA 4 2.128 -0.344 2.756
26 H CYS 5 HN CYS 5 5.182 -1.497 0.131
27 HA CYS 5 HA CYS 5 6.895 -3.206 1.681
28 HB2 CYS 5 HB2 CYS 5 6.318 -2.806 -1.219
29 HB3 CYS 5 HB1 CYS 5 7.829 -3.606 -0.774
30 H PHE 6 HN PHE 6 7.236 -0.176 -0.032
31 HA PHE 6 HA PHE 6 10.011 -0.095 -0.351
32 HB2 PHE 6 HB2 PHE 6 8.686 1.590 -1.401
33 HB3 PHE 6 HB1 PHE 6 8.003 2.105 0.143
34 HD1 PHE 6 HD1 PHE 6 11.537 1.273 -0.753
35 HD2 PHE 6 HD2 PHE 6 8.757 4.312 0.465
36 HE1 PHE 6 HE1 PHE 6 13.412 2.866 -0.449
37 HE2 PHE 6 HE2 PHE 6 10.632 5.907 0.768
38 HZ PHE 6 HZ PHE 6 12.960 5.184 0.310
39 H DBU 7 HN DHB 7 8.040 1.051 2.416
40 HB DBU 7 HB DHB 7 9.432 0.861 6.056
41 HG1 DBU 7 HG1 DHB 7 6.974 0.014 4.659
42 HG2 DBU 7 HG2 DHB 7 7.557 -0.556 6.222
43 HG3 DBU 7 HG3 DHB 7 8.122 -1.322 4.738
44 H ILE 8 HN ILE 8 9.876 2.945 5.670
45 HA ILE 8 HA ILE 8 11.742 4.560 4.284
46 HB ILE 8 HB ILE 8 11.110 4.307 7.230
47 HG12 ILE 8 HG12 ILE 8 10.426 6.490 5.241
48 HG13 ILE 8 HG11 ILE 8 9.344 5.142 5.606
49 HG21 ILE 8 HG21 ILE 8 12.895 5.611 7.654
50 HG22 ILE 8 HG22 ILE 8 12.254 6.831 6.553
51 HG23 ILE 8 HG23 ILE 8 13.336 5.576 5.948
52 HD11 ILE 8 HD11 ILE 8 10.352 6.370 8.040
53 HD12 ILE 8 HD12 ILE 8 8.684 6.094 7.540
54 HD13 ILE 8 HD13 ILE 8 9.530 7.551 7.020
55 H GLY 9 HN GLY 9 12.166 2.002 6.717
56 HA2 GLY 9 HA2 GLY 9 15.077 2.210 6.482
57 HA3 GLY 9 HA1 GLY 9 14.192 1.200 7.620
58 H LEU 10 HN LEU 10 12.476 -0.121 5.842
59 HA LEU 10 HA LEU 10 14.089 -2.252 4.964
60 HB2 LEU 10 HB2 LEU 10 11.742 -2.541 5.555
61 HB3 LEU 10 HB1 LEU 10 11.255 -1.496 4.222
62 HG LEU 10 HG LEU 10 11.131 -4.014 3.809
63 HD11 LEU 10 HD11 LEU 10 11.765 -1.860 2.144
64 HD12 LEU 10 HD12 LEU 10 11.187 -3.444 1.626
65 HD13 LEU 10 HD13 LEU 10 12.918 -3.115 1.693
66 HD21 LEU 10 HD21 LEU 10 13.128 -5.228 3.433
67 HD22 LEU 10 HD22 LEU 10 13.459 -4.314 4.904
68 HD23 LEU 10 HD23 LEU 10 14.105 -3.762 3.358
69 H GLY 11 HN GLY 11 12.516 0.399 3.196
70 HA2 GLY 11 HA2 GLY 11 13.324 -0.422 0.603
71 HA3 GLY 11 HA1 GLY 11 12.818 1.204 1.058
72 H VAL 12 HN VAL 12 14.799 1.578 3.087
73 HA VAL 12 HA VAL 12 16.897 2.674 1.560
74 HB VAL 12 HB VAL 12 16.614 2.029 4.500
75 HG11 VAL 12 HG11 VAL 12 18.992 1.950 3.943
76 HG12 VAL 12 HG12 VAL 12 18.632 3.437 4.821
77 HG13 VAL 12 HG13 VAL 12 18.860 3.478 3.073
78 HG21 VAL 12 HG21 VAL 12 16.009 4.262 4.737
79 HG22 VAL 12 HG22 VAL 12 15.335 3.912 3.145
80 HG23 VAL 12 HG23 VAL 12 16.877 4.758 3.282
81 H GLY 13 HN GLY 13 16.720 -0.304 3.511
82 HA2 GLY 13 HA2 GLY 13 19.387 -1.138 2.995
83 HA3 GLY 13 HA1 GLY 13 18.072 -2.173 3.548
84 H ALA 14 HN ALA 14 16.299 -1.735 1.375
85 HA ALA 14 HA ALA 14 17.296 -3.651 -0.486
86 HB1 ALA 14 HB1 ALA 14 14.954 -3.664 -0.128
87 HB2 ALA 14 HB2 ALA 14 15.158 -2.988 -1.744
88 HB3 ALA 14 HB3 ALA 14 14.826 -1.923 -0.379
89 H LEU 15 HN LEU 15 16.854 -0.168 -0.510
90 HA LEU 15 HA LEU 15 17.834 0.067 -3.255
91 HB2 LEU 15 HB2 LEU 15 16.998 2.193 -1.279
92 HB3 LEU 15 HB1 LEU 15 17.243 2.402 -3.006
93 HG LEU 15 HG LEU 15 15.210 0.548 -1.770
94 HD11 LEU 15 HD11 LEU 15 14.818 3.027 -1.457
95 HD12 LEU 15 HD12 LEU 15 13.556 2.182 -2.354
96 HD13 LEU 15 HD13 LEU 15 14.744 3.160 -3.214
97 HD21 LEU 15 HD21 LEU 15 16.176 0.007 -4.085
98 HD22 LEU 15 HD22 LEU 15 15.413 1.497 -4.637
99 HD23 LEU 15 HD23 LEU 15 14.425 0.182 -4.000
100 H PHE 16 HN PHE 16 18.536 1.714 -0.200
101 HA PHE 16 HA PHE 16 21.131 2.558 -1.057
102 HB2 PHE 16 HB2 PHE 16 19.859 3.908 0.493
103 HB3 PHE 16 HB1 PHE 16 19.774 2.576 1.642
104 HD1 PHE 16 HD1 PHE 16 22.084 4.964 -0.017
105 HD2 PHE 16 HD2 PHE 16 21.595 2.027 3.077
106 HE1 PHE 16 HE1 PHE 16 24.268 5.627 0.955
107 HE2 PHE 16 HE2 PHE 16 23.779 2.691 4.053
108 HZ PHE 16 HZ PHE 16 25.115 4.491 2.991
109 H DAL 17 HN DAL 17 19.841 -0.116 0.781
110 HA DAL 17 HA DAL 17 20.866 -1.845 1.911
111 HB1 DAL 17 HB2 DAL 17 23.499 -0.460 1.365
112 HB2 DAL 17 HB3 DAL 17 22.499 -0.156 2.780
113 H ALA 18 HN ALA 18 20.547 -1.315 -1.098
114 HA ALA 18 HA ALA 18 21.361 -3.894 -1.948
115 HB1 ALA 18 HB1 ALA 18 19.947 -1.606 -3.070
116 HB2 ALA 18 HB2 ALA 18 19.690 -3.331 -3.328
117 HB3 ALA 18 HB3 ALA 18 20.910 -2.471 -4.267
118 H LYS 19 HN LYS 19 22.823 -0.678 -2.597
119 HA LYS 19 HA LYS 19 25.001 -2.077 -4.016
120 HB2 LYS 19 HB2 LYS 19 25.677 0.317 -4.638
121 HB3 LYS 19 HB1 LYS 19 24.207 -0.313 -5.379
122 HG2 LYS 19 HG2 LYS 19 23.813 1.027 -2.774
123 HG3 LYS 19 HG1 LYS 19 24.348 2.082 -4.084
124 HD2 LYS 19 HD2 LYS 19 22.506 1.196 -5.508
125 HD3 LYS 19 HD1 LYS 19 21.942 0.237 -4.140
126 HE2 LYS 19 HE2 LYS 19 21.587 2.275 -2.827
127 HE3 LYS 19 HE1 LYS 19 22.207 3.257 -4.153
128 HZ1 LYS 19 HZ1 LYS 19 20.178 1.520 -5.079
129 HZ2 LYS 19 HZ2 LYS 19 20.236 3.217 -5.123
130 HZ3 LYS 19 HZ3 LYS 19 19.602 2.421 -3.762
131 H PHE 20 HN PHE 20 24.220 0.008 -1.357
132 HA PHE 20 HA PHE 20 27.004 -0.017 -0.429
133 HB2 PHE 20 HB2 PHE 20 24.598 1.555 0.537
134 HB3 PHE 20 HB1 PHE 20 26.221 1.670 1.215
135 HD1 PHE 20 HD1 PHE 20 24.066 2.504 -1.632
136 HD2 PHE 20 HD2 PHE 20 28.077 2.632 -0.097
137 HE1 PHE 20 HE1 PHE 20 24.688 4.133 -3.395
138 HE2 PHE 20 HE2 PHE 20 28.698 4.261 -1.861
139 HZ PHE 20 HZ PHE 20 27.004 5.011 -3.510
140 H CYS 21 HN CYS 21 27.033 -0.164 2.092
141 HA CYS 21 HA CYS 21 26.920 -1.633 3.869
142 HB2 CYS 21 HB2 CYS 21 24.793 -1.850 4.803
143 HB3 CYS 21 HB1 CYS 21 24.601 -0.431 3.774
Start of MODEL 8
1 H1 ABA 1 HT1 ABU 1 3.626 -5.542 -2.852
2 H2 ABA 1 HT2 ABU 1 4.335 -6.299 -1.506
3 H3 ABA 1 HT3 ABU 1 5.126 -5.004 -2.272
4 HA ABA 1 HA ABU 1 2.590 -4.880 -0.734
5 HB2 ABA 1 HB2 ABU 1 4.447 -3.034 0.233
6 HG1 ABA 1 HG1 ABU 1 4.487 -4.512 2.200
7 HG3 ABA 1 HG3 ABU 1 2.855 -4.412 1.540
8 HG2 ABA 1 HG2 ABU 1 3.847 -5.836 1.228
9 H DBU 2 HN DHB 2 5.057 -3.050 -2.561
10 HB DBU 2 HB DHB 2 3.354 -0.296 -4.998
11 HG1 DBU 2 HG1 DHB 2 2.596 -2.029 -6.391
12 HG2 DBU 2 HG2 DHB 2 1.983 -2.819 -4.937
13 HG3 DBU 2 HG3 DHB 2 3.608 -3.183 -5.519
14 HA PRO 3 HA PRO 3 4.906 2.427 -2.017
15 HB2 PRO 3 HB2 PRO 3 2.705 3.323 -0.614
16 HB3 PRO 3 HB1 PRO 3 2.943 3.554 -2.357
17 HG2 PRO 3 HG2 PRO 3 1.277 1.553 -0.922
18 HG3 PRO 3 HG1 PRO 3 0.955 2.421 -2.433
19 HD2 PRO 3 HD2 PRO 3 1.780 -0.180 -2.382
20 HD3 PRO 3 HD1 PRO 3 2.180 0.929 -3.713
21 H ALA 4 HN ALA 4 3.337 -0.019 -0.058
22 HA ALA 4 HA ALA 4 4.426 1.041 2.432
23 HB1 ALA 4 HB1 ALA 4 2.340 0.085 2.818
24 HB2 ALA 4 HB2 ALA 4 3.425 -1.232 3.267
25 HB3 ALA 4 HB3 ALA 4 2.628 -1.244 1.694
26 H CYS 5 HN CYS 5 5.157 -1.377 0.039
27 HA CYS 5 HA CYS 5 6.931 -2.970 1.575
28 HB2 CYS 5 HB2 CYS 5 6.328 -2.609 -1.311
29 HB3 CYS 5 HB1 CYS 5 7.895 -3.316 -0.907
30 H PHE 6 HN PHE 6 7.274 0.094 -0.044
31 HA PHE 6 HA PHE 6 10.042 0.190 -0.408
32 HB2 PHE 6 HB2 PHE 6 8.355 1.884 -1.208
33 HB3 PHE 6 HB1 PHE 6 8.293 2.509 0.438
34 HD1 PHE 6 HD1 PHE 6 9.033 4.559 -1.207
35 HD2 PHE 6 HD2 PHE 6 11.532 1.289 0.028
36 HE1 PHE 6 HE1 PHE 6 11.052 5.927 -1.663
37 HE2 PHE 6 HE2 PHE 6 13.548 2.659 -0.425
38 HZ PHE 6 HZ PHE 6 13.308 4.978 -1.271
39 H DBU 7 HN DHB 7 8.111 1.189 2.444
40 HB DBU 7 HB DHB 7 9.506 0.824 6.062
41 HG1 DBU 7 HG1 DHB 7 7.995 -1.018 6.015
42 HG2 DBU 7 HG2 DHB 7 7.911 -0.985 4.254
43 HG3 DBU 7 HG3 DHB 7 6.960 0.156 5.205
44 H ILE 8 HN ILE 8 10.037 2.824 5.847
45 HA ILE 8 HA ILE 8 11.881 4.534 4.509
46 HB ILE 8 HB ILE 8 10.562 5.293 6.436
47 HG12 ILE 8 HG12 ILE 8 13.503 5.263 7.168
48 HG13 ILE 8 HG11 ILE 8 12.852 6.261 5.865
49 HG21 ILE 8 HG21 ILE 8 10.931 2.934 7.562
50 HG22 ILE 8 HG22 ILE 8 10.742 4.370 8.568
51 HG23 ILE 8 HG23 ILE 8 12.349 3.714 8.260
52 HD11 ILE 8 HD11 ILE 8 12.443 6.495 8.819
53 HD12 ILE 8 HD12 ILE 8 11.121 6.978 7.755
54 HD13 ILE 8 HD13 ILE 8 12.695 7.762 7.618
55 H GLY 9 HN GLY 9 12.271 1.812 6.753
56 HA2 GLY 9 HA2 GLY 9 15.190 2.004 6.524
57 HA3 GLY 9 HA1 GLY 9 14.301 0.972 7.640
58 H LEU 10 HN LEU 10 12.535 -0.248 5.829
59 HA LEU 10 HA LEU 10 14.093 -2.386 4.874
60 HB2 LEU 10 HB2 LEU 10 11.721 -2.593 5.476
61 HB3 LEU 10 HB1 LEU 10 11.282 -1.557 4.118
62 HG LEU 10 HG LEU 10 11.098 -4.068 3.728
63 HD11 LEU 10 HD11 LEU 10 12.985 -3.246 1.665
64 HD12 LEU 10 HD12 LEU 10 11.836 -1.966 2.054
65 HD13 LEU 10 HD13 LEU 10 11.252 -3.548 1.537
66 HD21 LEU 10 HD21 LEU 10 13.153 -5.279 3.265
67 HD22 LEU 10 HD22 LEU 10 13.265 -4.593 4.886
68 HD23 LEU 10 HD23 LEU 10 14.113 -3.825 3.544
69 H GLY 11 HN GLY 11 12.582 0.359 3.195
70 HA2 GLY 11 HA2 GLY 11 13.370 -0.400 0.574
71 HA3 GLY 11 HA1 GLY 11 12.896 1.217 1.082
72 H VAL 12 HN VAL 12 14.861 1.548 3.098
73 HA VAL 12 HA VAL 12 16.979 2.624 1.592
74 HB VAL 12 HB VAL 12 16.655 1.977 4.525
75 HG11 VAL 12 HG11 VAL 12 18.930 3.520 3.256
76 HG12 VAL 12 HG12 VAL 12 19.066 1.846 3.797
77 HG13 VAL 12 HG13 VAL 12 18.728 3.126 4.963
78 HG21 VAL 12 HG21 VAL 12 16.929 4.650 3.135
79 HG22 VAL 12 HG22 VAL 12 16.307 4.325 4.754
80 HG23 VAL 12 HG23 VAL 12 15.368 3.855 3.337
81 H GLY 13 HN GLY 13 16.756 -0.371 3.509
82 HA2 GLY 13 HA2 GLY 13 19.416 -1.231 3.018
83 HA3 GLY 13 HA1 GLY 13 18.081 -2.257 3.536
84 H ALA 14 HN ALA 14 16.345 -1.791 1.349
85 HA ALA 14 HA ALA 14 17.369 -3.682 -0.526
86 HB1 ALA 14 HB1 ALA 14 15.190 -2.526 -1.746
87 HB2 ALA 14 HB2 ALA 14 14.853 -2.260 -0.037
88 HB3 ALA 14 HB3 ALA 14 15.124 -3.896 -0.639
89 H LEU 15 HN LEU 15 16.891 -0.199 -0.521
90 HA LEU 15 HA LEU 15 17.915 0.066 -3.246
91 HB2 LEU 15 HB2 LEU 15 17.030 2.174 -1.270
92 HB3 LEU 15 HB1 LEU 15 17.296 2.393 -2.993
93 HG LEU 15 HG LEU 15 15.252 0.550 -1.762
94 HD11 LEU 15 HD11 LEU 15 14.826 3.095 -3.334
95 HD12 LEU 15 HD12 LEU 15 14.838 3.034 -1.572
96 HD13 LEU 15 HD13 LEU 15 13.609 2.149 -2.477
97 HD21 LEU 15 HD21 LEU 15 16.405 0.767 -4.428
98 HD22 LEU 15 HD22 LEU 15 14.662 1.035 -4.458
99 HD23 LEU 15 HD23 LEU 15 15.312 -0.460 -3.785
100 H PHE 16 HN PHE 16 18.569 1.688 -0.162
101 HA PHE 16 HA PHE 16 21.165 2.563 -0.987
102 HB2 PHE 16 HB2 PHE 16 19.889 3.893 0.572
103 HB3 PHE 16 HB1 PHE 16 19.779 2.543 1.699
104 HD1 PHE 16 HD1 PHE 16 22.153 4.900 0.074
105 HD2 PHE 16 HD2 PHE 16 21.547 1.998 3.181
106 HE1 PHE 16 HE1 PHE 16 24.332 5.528 1.083
107 HE2 PHE 16 HE2 PHE 16 23.724 2.626 4.192
108 HZ PHE 16 HZ PHE 16 25.117 4.390 3.143
109 H DAL 17 HN DAL 17 19.881 -0.142 0.807
110 HA DAL 17 HA DAL 17 20.906 -1.884 1.915
111 HB1 DAL 17 HB2 DAL 17 23.529 -0.462 1.420
112 HB2 DAL 17 HB3 DAL 17 22.511 -0.200 2.831
113 H ALA 18 HN ALA 18 20.601 -1.307 -1.083
114 HA ALA 18 HA ALA 18 21.438 -3.859 -1.977
115 HB1 ALA 18 HB1 ALA 18 19.805 -3.298 -3.396
116 HB2 ALA 18 HB2 ALA 18 21.009 -2.350 -4.266
117 HB3 ALA 18 HB3 ALA 18 19.993 -1.580 -3.047
118 H LYS 19 HN LYS 19 22.885 -0.626 -2.543
119 HA LYS 19 HA LYS 19 25.094 -1.977 -3.963
120 HB2 LYS 19 HB2 LYS 19 25.756 0.431 -4.532
121 HB3 LYS 19 HB1 LYS 19 24.298 -0.195 -5.301
122 HG2 LYS 19 HG2 LYS 19 23.841 1.077 -2.680
123 HG3 LYS 19 HG1 LYS 19 24.424 2.174 -3.932
124 HD2 LYS 19 HD2 LYS 19 22.626 1.338 -5.448
125 HD3 LYS 19 HD1 LYS 19 22.007 0.355 -4.121
126 HE2 LYS 19 HE2 LYS 19 21.611 2.356 -2.777
127 HE3 LYS 19 HE1 LYS 19 22.316 3.371 -4.036
128 HZ1 LYS 19 HZ1 LYS 19 20.059 1.586 -4.665
129 HZ2 LYS 19 HZ2 LYS 19 20.540 3.020 -5.438
130 HZ3 LYS 19 HZ3 LYS 19 19.770 3.084 -3.925
131 H PHE 20 HN PHE 20 24.266 0.053 -1.278
132 HA PHE 20 HA PHE 20 27.038 0.055 -0.318
133 HB2 PHE 20 HB2 PHE 20 24.605 1.558 0.686
134 HB3 PHE 20 HB1 PHE 20 26.243 1.721 1.315
135 HD1 PHE 20 HD1 PHE 20 23.951 2.588 -1.392
136 HD2 PHE 20 HD2 PHE 20 28.053 2.661 -0.118
137 HE1 PHE 20 HE1 PHE 20 24.472 4.246 -3.162
138 HE2 PHE 20 HE2 PHE 20 28.573 4.319 -1.888
139 HZ PHE 20 HZ PHE 20 26.783 5.111 -3.410
140 H CYS 21 HN CYS 21 27.030 -0.108 2.205
141 HA CYS 21 HA CYS 21 26.924 -1.592 3.968
142 HB2 CYS 21 HB2 CYS 21 24.783 -1.888 4.855
143 HB3 CYS 21 HB1 CYS 21 24.580 -0.455 3.849
Start of MODEL 9
1 H1 ABA 1 HT1 ABU 1 6.323 -5.182 -2.977
2 H2 ABA 1 HT2 ABU 1 5.176 -5.684 -4.126
3 H3 ABA 1 HT3 ABU 1 4.950 -6.047 -2.482
4 HA ABA 1 HA ABU 1 3.615 -4.125 -3.477
5 HB2 ABA 1 HB2 ABU 1 4.334 -2.747 -1.293
6 HG1 ABA 1 HG1 ABU 1 2.254 -3.633 -1.010
7 HG3 ABA 1 HG3 ABU 1 2.695 -5.155 -1.786
8 HG2 ABA 1 HG2 ABU 1 3.102 -4.879 -0.092
9 H DBU 2 HN DHB 2 3.887 -1.619 -3.236
10 HB DBU 2 HB DHB 2 6.115 0.694 -5.700
11 HG1 DBU 2 HG1 DHB 2 4.333 -1.738 -6.279
12 HG2 DBU 2 HG2 DHB 2 5.799 -1.416 -7.206
13 HG3 DBU 2 HG3 DHB 2 4.448 -0.284 -7.272
14 HA PRO 3 HA PRO 3 7.208 2.635 -2.059
15 HB2 PRO 3 HB2 PRO 3 4.496 3.622 -1.300
16 HB3 PRO 3 HB1 PRO 3 5.910 4.530 -1.874
17 HG2 PRO 3 HG2 PRO 3 3.821 4.081 -3.456
18 HG3 PRO 3 HG1 PRO 3 5.479 4.063 -4.083
19 HD2 PRO 3 HD2 PRO 3 3.656 1.756 -3.518
20 HD3 PRO 3 HD1 PRO 3 4.877 1.945 -4.797
21 H ALA 4 HN ALA 4 4.297 0.950 -0.940
22 HA ALA 4 HA ALA 4 4.851 1.217 1.848
23 HB1 ALA 4 HB1 ALA 4 3.289 -1.136 1.113
24 HB2 ALA 4 HB2 ALA 4 2.709 0.332 0.326
25 HB3 ALA 4 HB3 ALA 4 2.827 0.261 2.085
26 H CYS 5 HN CYS 5 5.832 -1.019 -0.640
27 HA CYS 5 HA CYS 5 6.854 -2.979 1.245
28 HB2 CYS 5 HB2 CYS 5 6.659 -2.753 -1.725
29 HB3 CYS 5 HB1 CYS 5 7.892 -3.826 -1.047
30 H PHE 6 HN PHE 6 7.936 -0.093 -0.213
31 HA PHE 6 HA PHE 6 10.674 -0.560 -0.557
32 HB2 PHE 6 HB2 PHE 6 9.882 1.492 -1.380
33 HB3 PHE 6 HB1 PHE 6 9.071 1.893 0.135
34 HD1 PHE 6 HD1 PHE 6 12.430 0.414 0.141
35 HD2 PHE 6 HD2 PHE 6 10.198 4.081 0.289
36 HE1 PHE 6 HE1 PHE 6 14.454 1.609 0.919
37 HE2 PHE 6 HE2 PHE 6 12.226 5.281 1.064
38 HZ PHE 6 HZ PHE 6 14.354 4.047 1.378
39 H DBU 7 HN DHB 7 8.939 0.648 2.330
40 HB DBU 7 HB DHB 7 10.637 -0.636 5.763
41 HG1 DBU 7 HG1 DHB 7 10.427 -2.692 3.827
42 HG2 DBU 7 HG2 DHB 7 8.776 -2.082 3.942
43 HG3 DBU 7 HG3 DHB 7 9.585 -2.714 5.377
44 H ILE 8 HN ILE 8 9.354 1.839 5.596
45 HA ILE 8 HA ILE 8 10.698 4.227 4.854
46 HB ILE 8 HB ILE 8 9.290 3.427 7.409
47 HG12 ILE 8 HG12 ILE 8 7.908 3.567 5.335
48 HG13 ILE 8 HG11 ILE 8 7.481 4.814 6.509
49 HG21 ILE 8 HG21 ILE 8 9.225 5.987 7.703
50 HG22 ILE 8 HG22 ILE 8 10.535 6.034 6.521
51 HG23 ILE 8 HG23 ILE 8 10.757 5.183 8.050
52 HD11 ILE 8 HD11 ILE 8 8.412 5.143 3.809
53 HD12 ILE 8 HD12 ILE 8 9.575 5.875 4.913
54 HD13 ILE 8 HD13 ILE 8 7.886 6.381 4.950
55 H GLY 9 HN GLY 9 11.291 1.823 7.394
56 HA2 GLY 9 HA2 GLY 9 13.735 3.213 8.205
57 HA3 GLY 9 HA1 GLY 9 13.016 1.819 8.999
58 H LEU 10 HN LEU 10 13.384 -0.275 8.154
59 HA LEU 10 HA LEU 10 15.976 -0.747 7.183
60 HB2 LEU 10 HB2 LEU 10 15.466 -2.968 7.402
61 HB3 LEU 10 HB1 LEU 10 14.117 -2.311 8.329
62 HG LEU 10 HG LEU 10 12.871 -2.224 6.057
63 HD11 LEU 10 HD11 LEU 10 15.407 -3.498 5.342
64 HD12 LEU 10 HD12 LEU 10 14.171 -2.795 4.297
65 HD13 LEU 10 HD13 LEU 10 14.008 -4.459 4.865
66 HD21 LEU 10 HD21 LEU 10 11.892 -3.822 7.356
67 HD22 LEU 10 HD22 LEU 10 13.442 -4.498 7.858
68 HD23 LEU 10 HD23 LEU 10 12.749 -4.945 6.299
69 H GLY 11 HN GLY 11 12.913 -0.311 5.531
70 HA2 GLY 11 HA2 GLY 11 13.206 -1.344 3.064
71 HA3 GLY 11 HA1 GLY 11 12.574 0.278 3.311
72 H VAL 12 HN VAL 12 15.075 1.318 4.387
73 HA VAL 12 HA VAL 12 16.255 2.258 2.001
74 HB VAL 12 HB VAL 12 16.374 3.434 4.194
75 HG11 VAL 12 HG11 VAL 12 16.824 1.302 5.493
76 HG12 VAL 12 HG12 VAL 12 17.847 2.671 5.930
77 HG13 VAL 12 HG13 VAL 12 18.486 1.384 4.906
78 HG21 VAL 12 HG21 VAL 12 17.984 3.946 2.370
79 HG22 VAL 12 HG22 VAL 12 19.081 2.722 3.012
80 HG23 VAL 12 HG23 VAL 12 18.714 4.164 3.961
81 H GLY 13 HN GLY 13 17.175 -0.350 4.223
82 HA2 GLY 13 HA2 GLY 13 19.685 -0.981 3.153
83 HA3 GLY 13 HA1 GLY 13 18.626 -2.121 3.978
84 H ALA 14 HN ALA 14 16.471 -2.288 2.331
85 HA ALA 14 HA ALA 14 17.433 -3.938 0.205
86 HB1 ALA 14 HB1 ALA 14 14.901 -3.383 1.486
87 HB2 ALA 14 HB2 ALA 14 15.387 -4.795 0.547
88 HB3 ALA 14 HB3 ALA 14 14.719 -3.382 -0.269
89 H LEU 15 HN LEU 15 16.144 -0.671 0.435
90 HA LEU 15 HA LEU 15 15.922 -0.279 -2.396
91 HB2 LEU 15 HB2 LEU 15 14.540 1.085 -1.019
92 HB3 LEU 15 HB1 LEU 15 15.908 1.607 -0.035
93 HG LEU 15 HG LEU 15 16.861 2.544 -2.270
94 HD11 LEU 15 HD11 LEU 15 14.065 1.787 -2.965
95 HD12 LEU 15 HD12 LEU 15 15.506 1.826 -3.984
96 HD13 LEU 15 HD13 LEU 15 14.664 3.324 -3.589
97 HD21 LEU 15 HD21 LEU 15 15.997 3.884 -0.334
98 HD22 LEU 15 HD22 LEU 15 14.395 3.835 -1.070
99 HD23 LEU 15 HD23 LEU 15 15.717 4.657 -1.896
100 H PHE 16 HN PHE 16 18.050 1.350 -0.044
101 HA PHE 16 HA PHE 16 19.986 1.818 -2.197
102 HB2 PHE 16 HB2 PHE 16 19.326 3.113 0.374
103 HB3 PHE 16 HB1 PHE 16 21.040 3.071 -0.032
104 HD1 PHE 16 HD1 PHE 16 17.686 4.084 -1.293
105 HD2 PHE 16 HD2 PHE 16 21.942 4.451 -1.744
106 HE1 PHE 16 HE1 PHE 16 17.354 5.935 -2.909
107 HE2 PHE 16 HE2 PHE 16 21.609 6.304 -3.362
108 HZ PHE 16 HZ PHE 16 19.315 7.046 -3.944
109 H DAL 17 HN DAL 17 19.599 0.062 0.800
110 HA DAL 17 HA DAL 17 20.942 -1.433 1.895
111 HB1 DAL 17 HB2 DAL 17 23.220 -0.085 0.455
112 HB2 DAL 17 HB3 DAL 17 22.538 0.475 1.967
113 H ALA 18 HN ALA 18 19.915 -1.724 -0.965
114 HA ALA 18 HA ALA 18 20.850 -4.381 -1.357
115 HB1 ALA 18 HB1 ALA 18 19.602 -4.049 -3.618
116 HB2 ALA 18 HB2 ALA 18 19.102 -2.507 -2.926
117 HB3 ALA 18 HB3 ALA 18 18.669 -4.014 -2.121
118 H LYS 19 HN LYS 19 21.521 -1.306 -2.997
119 HA LYS 19 HA LYS 19 23.550 -2.646 -4.652
120 HB2 LYS 19 HB2 LYS 19 23.540 -0.634 -6.010
121 HB3 LYS 19 HB1 LYS 19 21.885 -1.210 -5.800
122 HG2 LYS 19 HG2 LYS 19 22.617 0.574 -3.640
123 HG3 LYS 19 HG1 LYS 19 22.866 1.357 -5.197
124 HD2 LYS 19 HD2 LYS 19 20.536 0.537 -5.831
125 HD3 LYS 19 HD1 LYS 19 20.323 0.113 -4.132
126 HE2 LYS 19 HE2 LYS 19 20.988 2.518 -3.587
127 HE3 LYS 19 HE1 LYS 19 20.816 2.855 -5.308
128 HZ1 LYS 19 HZ1 LYS 19 18.741 1.987 -3.393
129 HZ2 LYS 19 HZ2 LYS 19 18.531 1.804 -5.068
130 HZ3 LYS 19 HZ3 LYS 19 18.744 3.351 -4.400
131 H PHE 20 HN PHE 20 23.102 -0.254 -2.151
132 HA PHE 20 HA PHE 20 26.004 0.252 -2.073
133 HB2 PHE 20 HB2 PHE 20 23.705 1.784 -0.845
134 HB3 PHE 20 HB1 PHE 20 25.409 2.170 -0.605
135 HD1 PHE 20 HD1 PHE 20 22.567 2.395 -2.848
136 HD2 PHE 20 HD2 PHE 20 26.838 2.773 -2.593
137 HE1 PHE 20 HE1 PHE 20 22.583 3.655 -4.982
138 HE2 PHE 20 HE2 PHE 20 26.854 4.036 -4.728
139 HZ PHE 20 HZ PHE 20 24.726 4.478 -5.922
140 H CYS 21 HN CYS 21 26.545 0.857 0.399
141 HA CYS 21 HA CYS 21 27.102 -0.068 2.441
142 HB2 CYS 21 HB2 CYS 21 25.264 -0.581 3.849
143 HB3 CYS 21 HB1 CYS 21 24.638 0.613 2.712
Start of MODEL 10
1 H1 ABA 1 HT1 ABU 1 4.713 -4.899 -2.755
2 H2 ABA 1 HT2 ABU 1 3.312 -5.846 -2.594
3 H3 ABA 1 HT3 ABU 1 4.628 -6.086 -1.547
4 HA ABA 1 HA ABU 1 2.563 -4.729 -0.768
5 HB2 ABA 1 HB2 ABU 1 4.508 -3.138 0.309
6 HG1 ABA 1 HG1 ABU 1 4.110 -6.053 1.027
7 HG3 ABA 1 HG3 ABU 1 4.567 -4.740 2.112
8 HG2 ABA 1 HG2 ABU 1 2.945 -4.790 1.421
9 H DBU 2 HN DHB 2 5.181 -3.129 -2.601
10 HB DBU 2 HB DHB 2 3.934 -0.187 -5.015
11 HG1 DBU 2 HG1 DHB 2 2.451 -2.402 -5.559
12 HG2 DBU 2 HG2 DHB 2 3.993 -3.212 -5.283
13 HG3 DBU 2 HG3 DHB 2 3.842 -2.023 -6.576
14 HA PRO 3 HA PRO 3 4.793 2.546 -1.834
15 HB2 PRO 3 HB2 PRO 3 2.168 2.371 -0.431
16 HB3 PRO 3 HB1 PRO 3 2.855 3.704 -1.380
17 HG2 PRO 3 HG2 PRO 3 0.906 2.171 -2.348
18 HG3 PRO 3 HG1 PRO 3 2.205 2.789 -3.384
19 HD2 PRO 3 HD2 PRO 3 1.804 0.023 -2.317
20 HD3 PRO 3 HD1 PRO 3 2.506 0.547 -3.865
21 H ALA 4 HN ALA 4 3.290 -0.047 0.069
22 HA ALA 4 HA ALA 4 4.489 0.888 2.546
23 HB1 ALA 4 HB1 ALA 4 2.212 -0.343 2.238
24 HB2 ALA 4 HB2 ALA 4 3.229 -0.762 3.615
25 HB3 ALA 4 HB3 ALA 4 3.201 -1.802 2.191
26 H CYS 5 HN CYS 5 5.161 -1.410 0.027
27 HA CYS 5 HA CYS 5 6.992 -3.060 1.430
28 HB2 CYS 5 HB2 CYS 5 6.293 -2.567 -1.411
29 HB3 CYS 5 HB1 CYS 5 7.886 -3.258 -1.099
30 H PHE 6 HN PHE 6 7.296 0.042 -0.172
31 HA PHE 6 HA PHE 6 10.071 0.158 -0.501
32 HB2 PHE 6 HB2 PHE 6 8.419 1.831 -1.362
33 HB3 PHE 6 HB1 PHE 6 8.255 2.450 0.279
34 HD1 PHE 6 HD1 PHE 6 9.025 4.524 -1.310
35 HD2 PHE 6 HD2 PHE 6 11.546 1.310 0.025
36 HE1 PHE 6 HE1 PHE 6 11.025 5.948 -1.651
37 HE2 PHE 6 HE2 PHE 6 13.542 2.737 -0.314
38 HZ PHE 6 HZ PHE 6 13.283 5.056 -1.151
39 H DBU 7 HN DHB 7 8.084 1.176 2.304
40 HB DBU 7 HB DHB 7 9.406 0.877 5.954
41 HG1 DBU 7 HG1 DHB 7 8.001 -1.129 4.296
42 HG2 DBU 7 HG2 DHB 7 6.898 0.153 4.800
43 HG3 DBU 7 HG3 DHB 7 7.757 -0.798 6.012
44 H ILE 8 HN ILE 8 9.912 2.901 5.698
45 HA ILE 8 HA ILE 8 11.781 4.586 4.362
46 HB ILE 8 HB ILE 8 10.316 5.226 6.325
47 HG12 ILE 8 HG12 ILE 8 12.097 6.659 7.353
48 HG13 ILE 8 HG11 ILE 8 13.308 5.719 6.477
49 HG21 ILE 8 HG21 ILE 8 12.505 4.020 8.013
50 HG22 ILE 8 HG22 ILE 8 11.068 3.089 7.592
51 HG23 ILE 8 HG23 ILE 8 10.911 4.582 8.516
52 HD11 ILE 8 HD11 ILE 8 12.914 6.848 4.565
53 HD12 ILE 8 HD12 ILE 8 11.945 7.969 5.520
54 HD13 ILE 8 HD13 ILE 8 11.174 6.606 4.709
55 H GLY 9 HN GLY 9 12.132 1.935 6.695
56 HA2 GLY 9 HA2 GLY 9 15.054 2.145 6.530
57 HA3 GLY 9 HA1 GLY 9 14.148 1.137 7.653
58 H LEU 10 HN LEU 10 12.430 -0.133 5.828
59 HA LEU 10 HA LEU 10 14.015 -2.292 4.970
60 HB2 LEU 10 HB2 LEU 10 11.641 -2.514 5.517
61 HB3 LEU 10 HB1 LEU 10 11.217 -1.482 4.154
62 HG LEU 10 HG LEU 10 11.049 -4.000 3.775
63 HD11 LEU 10 HD11 LEU 10 11.352 -3.617 1.543
64 HD12 LEU 10 HD12 LEU 10 12.977 -2.972 1.774
65 HD13 LEU 10 HD13 LEU 10 11.572 -1.950 2.076
66 HD21 LEU 10 HD21 LEU 10 13.031 -5.264 3.477
67 HD22 LEU 10 HD22 LEU 10 13.330 -4.340 4.950
68 HD23 LEU 10 HD23 LEU 10 14.041 -3.819 3.423
69 H GLY 11 HN GLY 11 12.546 0.410 3.186
70 HA2 GLY 11 HA2 GLY 11 13.390 -0.419 0.604
71 HA3 GLY 11 HA1 GLY 11 12.910 1.212 1.059
72 H VAL 12 HN VAL 12 14.837 1.587 3.107
73 HA VAL 12 HA VAL 12 16.985 2.624 1.617
74 HB VAL 12 HB VAL 12 16.624 2.026 4.558
75 HG11 VAL 12 HG11 VAL 12 18.989 1.925 4.210
76 HG12 VAL 12 HG12 VAL 12 18.641 3.540 4.827
77 HG13 VAL 12 HG13 VAL 12 18.949 3.301 3.107
78 HG21 VAL 12 HG21 VAL 12 16.950 4.739 3.326
79 HG22 VAL 12 HG22 VAL 12 16.019 4.261 4.746
80 HG23 VAL 12 HG23 VAL 12 15.407 3.907 3.130
81 H GLY 13 HN GLY 13 16.720 -0.323 3.602
82 HA2 GLY 13 HA2 GLY 13 19.382 -1.210 3.157
83 HA3 GLY 13 HA1 GLY 13 18.036 -2.214 3.693
84 H ALA 14 HN ALA 14 16.324 -1.742 1.471
85 HA ALA 14 HA ALA 14 17.313 -3.708 -0.343
86 HB1 ALA 14 HB1 ALA 14 14.985 -1.851 -0.831
87 HB2 ALA 14 HB2 ALA 14 14.876 -3.232 0.260
88 HB3 ALA 14 HB3 ALA 14 15.223 -3.484 -1.451
89 H LEU 15 HN LEU 15 16.950 -0.212 -0.427
90 HA LEU 15 HA LEU 15 18.016 -0.053 -3.148
91 HB2 LEU 15 HB2 LEU 15 17.150 2.132 -1.248
92 HB3 LEU 15 HB1 LEU 15 17.439 2.291 -2.973
93 HG LEU 15 HG LEU 15 15.349 0.524 -1.711
94 HD11 LEU 15 HD11 LEU 15 14.832 2.922 -3.441
95 HD12 LEU 15 HD12 LEU 15 15.115 3.118 -1.711
96 HD13 LEU 15 HD13 LEU 15 13.759 2.144 -2.279
97 HD21 LEU 15 HD21 LEU 15 14.586 0.161 -4.014
98 HD22 LEU 15 HD22 LEU 15 16.275 -0.323 -3.867
99 HD23 LEU 15 HD23 LEU 15 15.861 1.217 -4.622
100 H PHE 16 HN PHE 16 18.687 1.587 -0.067
101 HA PHE 16 HA PHE 16 21.288 2.430 -0.908
102 HB2 PHE 16 HB2 PHE 16 20.020 3.757 0.673
103 HB3 PHE 16 HB1 PHE 16 19.948 2.405 1.801
104 HD1 PHE 16 HD1 PHE 16 22.192 4.887 0.214
105 HD2 PHE 16 HD2 PHE 16 21.832 1.768 3.144
106 HE1 PHE 16 HE1 PHE 16 24.391 5.530 1.167
107 HE2 PHE 16 HE2 PHE 16 24.029 2.412 4.101
108 HZ PHE 16 HZ PHE 16 25.309 4.293 3.113
109 H DAL 17 HN DAL 17 19.985 -0.257 0.914
110 HA DAL 17 HA DAL 17 20.994 -2.056 1.940
111 HB1 DAL 17 HB2 DAL 17 23.587 -0.540 1.559
112 HB2 DAL 17 HB3 DAL 17 22.574 -0.472 2.995
113 H ALA 18 HN ALA 18 20.567 -1.535 -0.952
114 HA ALA 18 HA ALA 18 21.656 -3.966 -1.952
115 HB1 ALA 18 HB1 ALA 18 19.973 -1.768 -3.015
116 HB2 ALA 18 HB2 ALA 18 19.704 -3.510 -3.032
117 HB3 ALA 18 HB3 ALA 18 20.810 -2.777 -4.194
118 H LYS 19 HN LYS 19 22.599 -0.566 -2.424
119 HA LYS 19 HA LYS 19 24.761 -1.440 -4.226
120 HB2 LYS 19 HB2 LYS 19 24.466 1.430 -3.564
121 HB3 LYS 19 HB1 LYS 19 24.732 0.658 -5.125
122 HG2 LYS 19 HG2 LYS 19 22.098 0.718 -3.624
123 HG3 LYS 19 HG1 LYS 19 22.503 1.719 -5.018
124 HD2 LYS 19 HD2 LYS 19 22.872 -0.381 -6.342
125 HD3 LYS 19 HD1 LYS 19 22.282 -1.301 -4.955
126 HE2 LYS 19 HE2 LYS 19 20.292 -1.049 -6.090
127 HE3 LYS 19 HE1 LYS 19 20.263 0.435 -5.136
128 HZ1 LYS 19 HZ1 LYS 19 21.312 1.583 -7.015
129 HZ2 LYS 19 HZ2 LYS 19 19.798 0.930 -7.427
130 HZ3 LYS 19 HZ3 LYS 19 21.225 0.158 -7.931
131 H PHE 20 HN PHE 20 24.047 0.052 -1.188
132 HA PHE 20 HA PHE 20 26.900 0.151 -0.473
133 HB2 PHE 20 HB2 PHE 20 24.611 1.415 1.039
134 HB3 PHE 20 HB1 PHE 20 26.330 1.790 1.152
135 HD1 PHE 20 HD1 PHE 20 23.509 1.737 -1.310
136 HD2 PHE 20 HD2 PHE 20 27.224 3.544 -0.128
137 HE1 PHE 20 HE1 PHE 20 23.252 3.431 -3.101
138 HE2 PHE 20 HE2 PHE 20 26.967 5.240 -1.921
139 HZ PHE 20 HZ PHE 20 24.982 5.184 -3.407
140 H CYS 21 HN CYS 21 27.107 -0.221 2.005
141 HA CYS 21 HA CYS 21 27.166 -1.832 3.654
142 HB2 CYS 21 HB2 CYS 21 25.113 -2.226 4.697
143 HB3 CYS 21 HB1 CYS 21 24.806 -0.728 3.821
Start of MODEL 11
1 H1 ABA 1 HT1 ABU 1 3.426 -5.812 -2.794
2 H2 ABA 1 HT2 ABU 1 4.676 -6.052 -1.669
3 H3 ABA 1 HT3 ABU 1 4.789 -4.804 -2.816
4 HA ABA 1 HA ABU 1 2.548 -4.853 -0.910
5 HB2 ABA 1 HB2 ABU 1 4.439 -3.078 0.116
6 HG1 ABA 1 HG1 ABU 1 2.814 -5.157 0.983
7 HG3 ABA 1 HG3 ABU 1 4.437 -5.707 1.401
8 HG2 ABA 1 HG2 ABU 1 3.844 -4.162 2.012
9 H DBU 2 HN DHB 2 5.055 -2.946 -2.604
10 HB DBU 2 HB DHB 2 3.380 -0.082 -4.943
11 HG1 DBU 2 HG1 DHB 2 3.616 -2.933 -5.612
12 HG2 DBU 2 HG2 DHB 2 2.576 -1.744 -6.399
13 HG3 DBU 2 HG3 DHB 2 2.001 -2.615 -4.977
14 HA PRO 3 HA PRO 3 4.920 2.495 -1.841
15 HB2 PRO 3 HB2 PRO 3 2.736 3.318 -0.374
16 HB3 PRO 3 HB1 PRO 3 2.936 3.616 -2.112
17 HG2 PRO 3 HG2 PRO 3 1.328 1.535 -0.720
18 HG3 PRO 3 HG1 PRO 3 0.949 2.471 -2.176
19 HD2 PRO 3 HD2 PRO 3 1.802 -0.115 -2.287
20 HD3 PRO 3 HD1 PRO 3 2.170 1.068 -3.563
21 H ALA 4 HN ALA 4 3.366 -0.043 0.003
22 HA ALA 4 HA ALA 4 4.495 0.874 2.529
23 HB1 ALA 4 HB1 ALA 4 2.448 -1.040 1.685
24 HB2 ALA 4 HB2 ALA 4 2.598 -0.142 3.196
25 HB3 ALA 4 HB3 ALA 4 3.483 -1.652 2.975
26 H CYS 5 HN CYS 5 5.165 -1.430 0.004
27 HA CYS 5 HA CYS 5 6.940 -3.108 1.449
28 HB2 CYS 5 HB2 CYS 5 6.329 -2.620 -1.422
29 HB3 CYS 5 HB1 CYS 5 7.883 -3.371 -1.044
30 H PHE 6 HN PHE 6 7.309 -0.018 -0.148
31 HA PHE 6 HA PHE 6 10.090 0.048 -0.431
32 HB2 PHE 6 HB2 PHE 6 8.827 1.789 -1.447
33 HB3 PHE 6 HB1 PHE 6 8.078 2.235 0.086
34 HD1 PHE 6 HD1 PHE 6 11.630 1.544 -0.918
35 HD2 PHE 6 HD2 PHE 6 8.827 4.335 0.760
36 HE1 PHE 6 HE1 PHE 6 13.481 3.131 -0.459
37 HE2 PHE 6 HE2 PHE 6 10.678 5.920 1.216
38 HZ PHE 6 HZ PHE 6 13.005 5.317 0.608
39 H DBU 7 HN DHB 7 8.084 1.113 2.344
40 HB DBU 7 HB DHB 7 9.400 0.802 6.002
41 HG1 DBU 7 HG1 DHB 7 7.811 -1.043 4.233
42 HG2 DBU 7 HG2 DHB 7 6.856 0.168 5.089
43 HG3 DBU 7 HG3 DHB 7 7.836 -0.984 5.994
44 H ILE 8 HN ILE 8 9.930 2.844 5.708
45 HA ILE 8 HA ILE 8 11.863 4.443 4.359
46 HB ILE 8 HB ILE 8 10.383 5.187 6.264
47 HG12 ILE 8 HG12 ILE 8 13.339 5.607 6.784
48 HG13 ILE 8 HG11 ILE 8 12.482 6.375 5.445
49 HG21 ILE 8 HG21 ILE 8 12.478 3.822 7.972
50 HG22 ILE 8 HG22 ILE 8 10.895 3.118 7.644
51 HG23 ILE 8 HG23 ILE 8 11.017 4.645 8.517
52 HD11 ILE 8 HD11 ILE 8 11.691 7.960 6.830
53 HD12 ILE 8 HD12 ILE 8 12.603 7.236 8.154
54 HD13 ILE 8 HD13 ILE 8 10.945 6.725 7.843
55 H GLY 9 HN GLY 9 12.124 1.840 6.763
56 HA2 GLY 9 HA2 GLY 9 15.040 2.028 6.735
57 HA3 GLY 9 HA1 GLY 9 14.072 0.954 7.741
58 H LEU 10 HN LEU 10 12.513 -0.329 5.883
59 HA LEU 10 HA LEU 10 14.258 -2.321 4.900
60 HB2 LEU 10 HB2 LEU 10 12.359 -3.480 4.367
61 HB3 LEU 10 HB1 LEU 10 11.642 -2.294 5.453
62 HG LEU 10 HG LEU 10 11.319 -0.842 3.340
63 HD11 LEU 10 HD11 LEU 10 11.018 -3.189 1.666
64 HD12 LEU 10 HD12 LEU 10 12.690 -3.019 2.199
65 HD13 LEU 10 HD13 LEU 10 11.901 -1.698 1.337
66 HD21 LEU 10 HD21 LEU 10 9.626 -2.345 4.688
67 HD22 LEU 10 HD22 LEU 10 9.686 -3.362 3.247
68 HD23 LEU 10 HD23 LEU 10 9.153 -1.686 3.122
69 H GLY 11 HN GLY 11 12.600 0.380 3.305
70 HA2 GLY 11 HA2 GLY 11 13.352 -0.265 0.652
71 HA3 GLY 11 HA1 GLY 11 12.886 1.333 1.226
72 H VAL 12 HN VAL 12 14.895 1.745 3.140
73 HA VAL 12 HA VAL 12 16.982 2.752 1.541
74 HB VAL 12 HB VAL 12 16.510 2.401 4.469
75 HG11 VAL 12 HG11 VAL 12 19.194 3.173 3.285
76 HG12 VAL 12 HG12 VAL 12 18.859 1.671 4.148
77 HG13 VAL 12 HG13 VAL 12 18.762 3.216 4.994
78 HG21 VAL 12 HG21 VAL 12 16.852 4.818 4.439
79 HG22 VAL 12 HG22 VAL 12 15.726 4.379 3.154
80 HG23 VAL 12 HG23 VAL 12 17.406 4.748 2.766
81 H GLY 13 HN GLY 13 16.804 -0.156 3.589
82 HA2 GLY 13 HA2 GLY 13 19.446 -1.053 3.078
83 HA3 GLY 13 HA1 GLY 13 18.112 -2.050 3.650
84 H ALA 14 HN ALA 14 16.349 -1.636 1.462
85 HA ALA 14 HA ALA 14 17.323 -3.612 -0.348
86 HB1 ALA 14 HB1 ALA 14 14.975 -1.788 -0.842
87 HB2 ALA 14 HB2 ALA 14 14.888 -3.134 0.295
88 HB3 ALA 14 HB3 ALA 14 15.213 -3.440 -1.411
89 H LEU 15 HN LEU 15 16.916 -0.126 -0.469
90 HA LEU 15 HA LEU 15 17.911 0.031 -3.209
91 HB2 LEU 15 HB2 LEU 15 17.121 2.218 -1.282
92 HB3 LEU 15 HB1 LEU 15 17.358 2.378 -3.017
93 HG LEU 15 HG LEU 15 15.285 0.659 -1.659
94 HD11 LEU 15 HD11 LEU 15 15.262 3.366 -2.069
95 HD12 LEU 15 HD12 LEU 15 13.821 2.357 -1.943
96 HD13 LEU 15 HD13 LEU 15 14.472 2.771 -3.529
97 HD21 LEU 15 HD21 LEU 15 15.162 -0.471 -3.604
98 HD22 LEU 15 HD22 LEU 15 16.459 0.515 -4.275
99 HD23 LEU 15 HD23 LEU 15 14.783 1.037 -4.438
100 H PHE 16 HN PHE 16 18.677 1.688 -0.164
101 HA PHE 16 HA PHE 16 21.280 2.466 -1.073
102 HB2 PHE 16 HB2 PHE 16 20.083 3.857 0.509
103 HB3 PHE 16 HB1 PHE 16 19.986 2.524 1.657
104 HD1 PHE 16 HD1 PHE 16 22.444 4.627 -0.213
105 HD2 PHE 16 HD2 PHE 16 21.711 2.122 3.196
106 HE1 PHE 16 HE1 PHE 16 24.677 5.214 0.695
107 HE2 PHE 16 HE2 PHE 16 23.944 2.710 4.108
108 HZ PHE 16 HZ PHE 16 25.426 4.256 2.857
109 H DAL 17 HN DAL 17 19.948 -0.133 0.866
110 HA DAL 17 HA DAL 17 20.955 -1.916 1.937
111 HB1 DAL 17 HB2 DAL 17 23.583 -0.533 1.368
112 HB2 DAL 17 HB3 DAL 17 22.612 -0.262 2.809
113 H ALA 18 HN ALA 18 20.575 -1.357 -1.044
114 HA ALA 18 HA ALA 18 21.387 -3.910 -1.969
115 HB1 ALA 18 HB1 ALA 18 20.855 -2.498 -4.255
116 HB2 ALA 18 HB2 ALA 18 19.969 -1.574 -3.041
117 HB3 ALA 18 HB3 ALA 18 19.639 -3.294 -3.255
118 H LYS 19 HN LYS 19 22.779 -0.665 -2.521
119 HA LYS 19 HA LYS 19 24.942 -1.943 -4.063
120 HB2 LYS 19 HB2 LYS 19 25.489 0.298 -4.859
121 HB3 LYS 19 HB1 LYS 19 23.788 -0.053 -5.151
122 HG2 LYS 19 HG2 LYS 19 24.060 1.114 -2.535
123 HG3 LYS 19 HG1 LYS 19 24.883 2.134 -3.712
124 HD2 LYS 19 HD2 LYS 19 22.692 1.678 -5.139
125 HD3 LYS 19 HD1 LYS 19 21.987 1.394 -3.548
126 HE2 LYS 19 HE2 LYS 19 21.667 3.714 -3.939
127 HE3 LYS 19 HE1 LYS 19 23.063 3.631 -2.864
128 HZ1 LYS 19 HZ1 LYS 19 23.594 5.112 -4.619
129 HZ2 LYS 19 HZ2 LYS 19 23.074 4.012 -5.806
130 HZ3 LYS 19 HZ3 LYS 19 24.473 3.689 -4.897
131 H PHE 20 HN PHE 20 24.218 -0.040 -1.269
132 HA PHE 20 HA PHE 20 27.031 -0.034 -0.420
133 HB2 PHE 20 HB2 PHE 20 24.632 1.507 0.591
134 HB3 PHE 20 HB1 PHE 20 26.239 1.582 1.309
135 HD1 PHE 20 HD1 PHE 20 24.105 2.689 -1.404
136 HD2 PHE 20 HD2 PHE 20 28.176 2.408 -0.067
137 HE1 PHE 20 HE1 PHE 20 24.773 4.381 -3.085
138 HE2 PHE 20 HE2 PHE 20 28.846 4.102 -1.750
139 HZ PHE 20 HZ PHE 20 27.144 5.091 -3.258
140 H CYS 21 HN CYS 21 27.067 -0.145 2.117
141 HA CYS 21 HA CYS 21 27.007 -1.561 3.922
142 HB2 CYS 21 HB2 CYS 21 24.870 -1.997 4.808
143 HB3 CYS 21 HB1 CYS 21 24.638 -0.538 3.848
Start of MODEL 12
1 H1 ABA 1 HT1 ABU 1 5.792 -6.337 -2.661
2 H2 ABA 1 HT2 ABU 1 4.994 -7.225 -1.452
3 H3 ABA 1 HT3 ABU 1 6.667 -6.949 -1.342
4 HA ABA 1 HA ABU 1 5.579 -5.484 0.171
5 HB2 ABA 1 HB2 ABU 1 6.949 -3.776 -0.389
6 HG1 ABA 1 HG1 ABU 1 7.259 -5.173 -3.062
7 HG3 ABA 1 HG3 ABU 1 8.426 -4.098 -2.291
8 HG2 ABA 1 HG2 ABU 1 8.077 -5.674 -1.582
9 H DBU 2 HN DHB 2 4.372 -3.134 -0.104
10 HB DBU 2 HB DHB 2 0.310 -3.171 -0.986
11 HG1 DBU 2 HG1 DHB 2 0.048 -5.282 0.075
12 HG2 DBU 2 HG2 DHB 2 1.778 -5.403 0.396
13 HG3 DBU 2 HG3 DHB 2 1.148 -5.797 -1.204
14 HA PRO 3 HA PRO 3 1.738 0.792 -2.340
15 HB2 PRO 3 HB2 PRO 3 0.719 2.252 -0.236
16 HB3 PRO 3 HB1 PRO 3 -0.275 1.326 -1.379
17 HG2 PRO 3 HG2 PRO 3 0.619 0.608 1.370
18 HG3 PRO 3 HG1 PRO 3 -0.940 0.320 0.575
19 HD2 PRO 3 HD2 PRO 3 0.927 -1.639 0.851
20 HD3 PRO 3 HD1 PRO 3 -0.181 -1.565 -0.538
21 H ALA 4 HN ALA 4 3.171 0.042 0.755
22 HA ALA 4 HA ALA 4 4.930 2.405 0.564
23 HB1 ALA 4 HB1 ALA 4 5.466 1.880 2.959
24 HB2 ALA 4 HB2 ALA 4 4.238 0.615 2.900
25 HB3 ALA 4 HB3 ALA 4 3.777 2.303 2.677
26 H CYS 5 HN CYS 5 5.090 -0.361 -0.803
27 HA CYS 5 HA CYS 5 6.960 -2.062 0.040
28 HB2 CYS 5 HB2 CYS 5 6.699 -0.763 -2.660
29 HB3 CYS 5 HB1 CYS 5 7.937 -1.979 -2.352
30 H PHE 6 HN PHE 6 7.580 1.285 -0.844
31 HA PHE 6 HA PHE 6 10.383 1.173 -0.967
32 HB2 PHE 6 HB2 PHE 6 9.498 3.183 -1.737
33 HB3 PHE 6 HB1 PHE 6 8.407 3.348 -0.361
34 HD1 PHE 6 HD1 PHE 6 12.096 2.703 -0.613
35 HD2 PHE 6 HD2 PHE 6 8.973 5.261 0.858
36 HE1 PHE 6 HE1 PHE 6 13.782 4.086 0.566
37 HE2 PHE 6 HE2 PHE 6 10.661 6.643 2.036
38 HZ PHE 6 HZ PHE 6 13.066 6.055 1.891
39 H DBU 7 HN DHB 7 8.247 1.926 1.815
40 HB DBU 7 HB DHB 7 9.106 0.917 5.450
41 HG1 DBU 7 HG1 DHB 7 7.526 -0.295 3.165
42 HG2 DBU 7 HG2 DHB 7 6.636 0.755 4.268
43 HG3 DBU 7 HG3 DHB 7 7.421 -0.703 4.878
44 H ILE 8 HN ILE 8 9.825 3.154 5.415
45 HA ILE 8 HA ILE 8 12.121 4.547 4.524
46 HB ILE 8 HB ILE 8 10.977 4.141 7.294
47 HG12 ILE 8 HG12 ILE 8 10.957 6.576 5.488
48 HG13 ILE 8 HG11 ILE 8 9.646 5.392 5.526
49 HG21 ILE 8 HG21 ILE 8 12.621 6.493 6.983
50 HG22 ILE 8 HG22 ILE 8 13.559 5.051 6.590
51 HG23 ILE 8 HG23 ILE 8 12.769 5.189 8.161
52 HD11 ILE 8 HD11 ILE 8 8.927 7.014 7.069
53 HD12 ILE 8 HD12 ILE 8 10.554 7.269 7.699
54 HD13 ILE 8 HD13 ILE 8 9.674 5.795 8.101
55 H GLY 9 HN GLY 9 11.751 1.763 6.707
56 HA2 GLY 9 HA2 GLY 9 14.615 1.524 7.089
57 HA3 GLY 9 HA1 GLY 9 13.379 0.432 7.708
58 H LEU 10 HN LEU 10 12.076 -0.395 5.503
59 HA LEU 10 HA LEU 10 13.803 -2.349 4.415
60 HB2 LEU 10 HB2 LEU 10 11.916 -3.265 3.518
61 HB3 LEU 10 HB1 LEU 10 11.135 -2.177 4.663
62 HG LEU 10 HG LEU 10 11.180 -0.438 2.752
63 HD11 LEU 10 HD11 LEU 10 12.546 -2.579 1.497
64 HD12 LEU 10 HD12 LEU 10 12.042 -1.055 0.767
65 HD13 LEU 10 HD13 LEU 10 10.975 -2.458 0.706
66 HD21 LEU 10 HD21 LEU 10 9.006 -1.021 2.282
67 HD22 LEU 10 HD22 LEU 10 9.274 -2.145 3.614
68 HD23 LEU 10 HD23 LEU 10 9.420 -2.702 1.947
69 H GLY 11 HN GLY 11 12.523 0.689 3.104
70 HA2 GLY 11 HA2 GLY 11 13.535 0.399 0.480
71 HA3 GLY 11 HA1 GLY 11 13.133 1.928 1.257
72 H VAL 12 HN VAL 12 14.935 1.608 3.466
73 HA VAL 12 HA VAL 12 17.255 2.790 2.397
74 HB VAL 12 HB VAL 12 16.608 1.520 5.058
75 HG11 VAL 12 HG11 VAL 12 18.897 1.180 5.085
76 HG12 VAL 12 HG12 VAL 12 18.813 2.842 5.672
77 HG13 VAL 12 HG13 VAL 12 19.216 2.521 3.985
78 HG21 VAL 12 HG21 VAL 12 15.717 3.818 4.163
79 HG22 VAL 12 HG22 VAL 12 17.353 4.382 4.503
80 HG23 VAL 12 HG23 VAL 12 16.359 3.728 5.804
81 H GLY 13 HN GLY 13 16.626 -0.523 3.548
82 HA2 GLY 13 HA2 GLY 13 19.229 -1.520 3.016
83 HA3 GLY 13 HA1 GLY 13 17.771 -2.492 3.201
84 H ALA 14 HN ALA 14 16.272 -1.313 1.090
85 HA ALA 14 HA ALA 14 17.231 -2.841 -1.119
86 HB1 ALA 14 HB1 ALA 14 15.314 -1.684 -2.320
87 HB2 ALA 14 HB2 ALA 14 14.988 -0.843 -0.805
88 HB3 ALA 14 HB3 ALA 14 14.868 -2.600 -0.881
89 H LEU 15 HN LEU 15 17.178 0.579 -0.306
90 HA LEU 15 HA LEU 15 18.400 1.362 -2.832
91 HB2 LEU 15 HB2 LEU 15 17.855 3.056 -0.393
92 HB3 LEU 15 HB1 LEU 15 18.074 3.594 -2.052
93 HG LEU 15 HG LEU 15 15.914 1.633 -1.446
94 HD11 LEU 15 HD11 LEU 15 15.712 4.629 -1.049
95 HD12 LEU 15 HD12 LEU 15 15.662 3.420 0.235
96 HD13 LEU 15 HD13 LEU 15 14.369 3.490 -0.964
97 HD21 LEU 15 HD21 LEU 15 14.865 3.247 -3.255
98 HD22 LEU 15 HD22 LEU 15 16.054 2.038 -3.740
99 HD23 LEU 15 HD23 LEU 15 16.546 3.716 -3.512
100 H PHE 16 HN PHE 16 19.157 1.899 0.591
101 HA PHE 16 HA PHE 16 21.878 2.590 0.051
102 HB2 PHE 16 HB2 PHE 16 20.717 3.565 1.931
103 HB3 PHE 16 HB1 PHE 16 20.413 1.972 2.617
104 HD1 PHE 16 HD1 PHE 16 23.081 4.412 1.765
105 HD2 PHE 16 HD2 PHE 16 22.081 0.784 3.831
106 HE1 PHE 16 HE1 PHE 16 25.288 4.452 2.898
107 HE2 PHE 16 HE2 PHE 16 24.286 0.823 4.969
108 HZ PHE 16 HZ PHE 16 25.891 2.657 4.501
109 H DAL 17 HN DAL 17 20.182 -0.317 1.003
110 HA DAL 17 HA DAL 17 20.941 -2.425 1.565
111 HB1 DAL 17 HB2 DAL 17 23.741 -1.290 1.459
112 HB2 DAL 17 HB3 DAL 17 22.728 -1.289 2.896
113 H ALA 18 HN ALA 18 20.810 -1.029 -1.167
114 HA ALA 18 HA ALA 18 21.354 -3.341 -2.710
115 HB1 ALA 18 HB1 ALA 18 19.817 -2.225 -3.894
116 HB2 ALA 18 HB2 ALA 18 21.156 -1.269 -4.529
117 HB3 ALA 18 HB3 ALA 18 20.238 -0.687 -3.140
118 H LYS 19 HN LYS 19 23.183 -0.272 -2.403
119 HA LYS 19 HA LYS 19 25.244 -1.457 -4.149
120 HB2 LYS 19 HB2 LYS 19 26.204 0.888 -4.139
121 HB3 LYS 19 HB1 LYS 19 24.638 0.715 -4.929
122 HG2 LYS 19 HG2 LYS 19 24.244 1.239 -2.122
123 HG3 LYS 19 HG1 LYS 19 25.310 2.462 -2.812
124 HD2 LYS 19 HD2 LYS 19 23.577 2.521 -4.764
125 HD3 LYS 19 HD1 LYS 19 22.493 1.763 -3.598
126 HE2 LYS 19 HE2 LYS 19 23.971 4.380 -3.198
127 HE3 LYS 19 HE1 LYS 19 22.249 4.209 -3.533
128 HZ1 LYS 19 HZ1 LYS 19 21.845 3.779 -1.413
129 HZ2 LYS 19 HZ2 LYS 19 23.451 4.206 -1.067
130 HZ3 LYS 19 HZ3 LYS 19 23.042 2.581 -1.345
131 H PHE 20 HN PHE 20 24.604 -0.150 -1.000
132 HA PHE 20 HA PHE 20 27.331 -0.779 -0.112
133 HB2 PHE 20 HB2 PHE 20 25.096 0.686 1.322
134 HB3 PHE 20 HB1 PHE 20 26.730 0.448 1.935
135 HD1 PHE 20 HD1 PHE 20 24.609 2.359 -0.319
136 HD2 PHE 20 HD2 PHE 20 28.677 1.494 0.756
137 HE1 PHE 20 HE1 PHE 20 25.363 4.372 -1.553
138 HE2 PHE 20 HE2 PHE 20 29.431 3.510 -0.478
139 HZ PHE 20 HZ PHE 20 27.774 4.950 -1.631
140 H CYS 21 HN CYS 21 27.243 -1.664 2.254
141 HA CYS 21 HA CYS 21 26.891 -3.568 3.510
142 HB2 CYS 21 HB2 CYS 21 24.716 -3.789 4.331
143 HB3 CYS 21 HB1 CYS 21 24.733 -2.114 3.777
Start of MODEL 13
1 H1 ABA 1 HT1 ABU 1 3.617 -4.854 -2.591
2 H2 ABA 1 HT2 ABU 1 4.681 -3.798 -3.391
3 H3 ABA 1 HT3 ABU 1 3.005 -3.676 -3.646
4 HA ABA 1 HA ABU 1 2.603 -2.756 -1.577
5 HB2 ABA 1 HB2 ABU 1 4.714 -2.709 0.035
6 HG1 ABA 1 HG1 ABU 1 3.914 -5.157 0.713
7 HG3 ABA 1 HG3 ABU 1 2.866 -3.757 0.939
8 HG2 ABA 1 HG2 ABU 1 2.647 -4.804 -0.463
9 H DBU 2 HN DHB 2 4.482 -2.227 -4.110
10 HB DBU 2 HB DHB 2 5.735 1.105 -5.515
11 HG1 DBU 2 HG1 DHB 2 3.651 -1.036 -6.083
12 HG2 DBU 2 HG2 DHB 2 5.159 -1.088 -6.998
13 HG3 DBU 2 HG3 DHB 2 4.106 0.322 -7.112
14 HA PRO 3 HA PRO 3 7.405 2.676 -1.924
15 HB2 PRO 3 HB2 PRO 3 4.869 3.724 -0.761
16 HB3 PRO 3 HB1 PRO 3 6.248 4.607 -1.442
17 HG2 PRO 3 HG2 PRO 3 3.950 4.373 -2.768
18 HG3 PRO 3 HG1 PRO 3 5.514 4.358 -3.601
19 HD2 PRO 3 HD2 PRO 3 3.665 2.080 -3.027
20 HD3 PRO 3 HD1 PRO 3 4.756 2.332 -4.409
21 H ALA 4 HN ALA 4 4.547 1.065 -0.567
22 HA ALA 4 HA ALA 4 5.477 1.079 2.136
23 HB1 ALA 4 HB1 ALA 4 3.599 -0.280 2.619
24 HB2 ALA 4 HB2 ALA 4 3.524 -0.900 0.969
25 HB3 ALA 4 HB3 ALA 4 3.070 0.771 1.305
26 H CYS 5 HN CYS 5 5.931 -1.009 -0.615
27 HA CYS 5 HA CYS 5 6.928 -3.255 0.861
28 HB2 CYS 5 HB2 CYS 5 6.665 -2.505 -1.999
29 HB3 CYS 5 HB1 CYS 5 7.929 -3.673 -1.599
30 H PHE 6 HN PHE 6 8.359 -0.446 -0.721
31 HA PHE 6 HA PHE 6 11.041 -1.247 -0.665
32 HB2 PHE 6 HB2 PHE 6 10.758 0.696 -1.879
33 HB3 PHE 6 HB1 PHE 6 9.631 1.387 -0.713
34 HD1 PHE 6 HD1 PHE 6 12.929 -0.138 0.086
35 HD2 PHE 6 HD2 PHE 6 10.683 3.501 -0.315
36 HE1 PHE 6 HE1 PHE 6 14.766 1.117 1.172
37 HE2 PHE 6 HE2 PHE 6 12.531 4.757 0.764
38 HZ PHE 6 HZ PHE 6 14.573 3.565 1.507
39 H DBU 7 HN DHB 7 9.174 0.581 1.790
40 HB DBU 7 HB DHB 7 10.301 -0.258 5.562
41 HG1 DBU 7 HG1 DHB 7 8.270 -1.717 4.949
42 HG2 DBU 7 HG2 DHB 7 9.781 -2.620 4.843
43 HG3 DBU 7 HG3 DHB 7 9.019 -2.001 3.378
44 H ILE 8 HN ILE 8 9.566 2.363 4.787
45 HA ILE 8 HA ILE 8 11.433 4.267 3.833
46 HB ILE 8 HB ILE 8 9.677 4.237 6.295
47 HG12 ILE 8 HG12 ILE 8 9.431 5.817 3.720
48 HG13 ILE 8 HG11 ILE 8 8.650 4.251 3.961
49 HG21 ILE 8 HG21 ILE 8 11.519 5.745 6.732
50 HG22 ILE 8 HG22 ILE 8 10.119 6.721 6.286
51 HG23 ILE 8 HG23 ILE 8 11.402 6.432 5.112
52 HD11 ILE 8 HD11 ILE 8 8.275 6.404 6.019
53 HD12 ILE 8 HD12 ILE 8 7.204 5.070 5.592
54 HD13 ILE 8 HD13 ILE 8 7.339 6.468 4.524
55 H GLY 9 HN GLY 9 11.346 2.333 6.817
56 HA2 GLY 9 HA2 GLY 9 13.826 3.468 7.790
57 HA3 GLY 9 HA1 GLY 9 12.901 2.171 8.538
58 H LEU 10 HN LEU 10 13.433 0.074 8.143
59 HA LEU 10 HA LEU 10 16.032 -0.530 7.268
60 HB2 LEU 10 HB2 LEU 10 15.597 -2.678 7.918
61 HB3 LEU 10 HB1 LEU 10 14.281 -1.870 8.760
62 HG LEU 10 HG LEU 10 13.349 -3.786 7.658
63 HD11 LEU 10 HD11 LEU 10 12.567 -1.132 7.012
64 HD12 LEU 10 HD12 LEU 10 11.560 -2.576 7.071
65 HD13 LEU 10 HD13 LEU 10 12.345 -2.114 5.561
66 HD21 LEU 10 HD21 LEU 10 15.390 -3.455 5.824
67 HD22 LEU 10 HD22 LEU 10 13.958 -3.024 4.889
68 HD23 LEU 10 HD23 LEU 10 14.060 -4.602 5.669
69 H GLY 11 HN GLY 11 13.043 -0.258 5.552
70 HA2 GLY 11 HA2 GLY 11 13.343 -1.809 3.328
71 HA3 GLY 11 HA1 GLY 11 12.638 -0.199 3.294
72 H VAL 12 HN VAL 12 15.228 0.988 4.218
73 HA VAL 12 HA VAL 12 16.290 1.677 1.698
74 HB VAL 12 HB VAL 12 16.536 2.996 3.837
75 HG11 VAL 12 HG11 VAL 12 18.089 2.356 5.484
76 HG12 VAL 12 HG12 VAL 12 18.891 1.203 4.415
77 HG13 VAL 12 HG13 VAL 12 17.297 0.833 5.076
78 HG21 VAL 12 HG21 VAL 12 17.877 3.523 1.848
79 HG22 VAL 12 HG22 VAL 12 19.068 2.306 2.311
80 HG23 VAL 12 HG23 VAL 12 18.843 3.745 3.307
81 H GLY 13 HN GLY 13 17.245 -0.751 4.090
82 HA2 GLY 13 HA2 GLY 13 19.686 -1.515 2.895
83 HA3 GLY 13 HA1 GLY 13 18.714 -2.521 3.963
84 H ALA 14 HN ALA 14 16.361 -2.669 2.413
85 HA ALA 14 HA ALA 14 17.078 -4.755 0.605
86 HB1 ALA 14 HB1 ALA 14 14.404 -3.501 0.348
87 HB2 ALA 14 HB2 ALA 14 14.805 -4.158 1.934
88 HB3 ALA 14 HB3 ALA 14 14.841 -5.201 0.513
89 H LEU 15 HN LEU 15 16.120 -1.398 0.251
90 HA LEU 15 HA LEU 15 16.260 -1.523 -2.659
91 HB2 LEU 15 HB2 LEU 15 14.542 -0.105 -2.132
92 HB3 LEU 15 HB1 LEU 15 15.278 0.399 -0.614
93 HG LEU 15 HG LEU 15 16.867 1.251 -2.903
94 HD11 LEU 15 HD11 LEU 15 14.754 3.073 -3.056
95 HD12 LEU 15 HD12 LEU 15 13.988 1.486 -3.118
96 HD13 LEU 15 HD13 LEU 15 15.233 1.912 -4.292
97 HD21 LEU 15 HD21 LEU 15 15.854 2.227 -0.329
98 HD22 LEU 15 HD22 LEU 15 15.937 3.479 -1.570
99 HD23 LEU 15 HD23 LEU 15 17.384 2.569 -1.137
100 H PHE 16 HN PHE 16 17.602 0.799 -0.331
101 HA PHE 16 HA PHE 16 19.778 1.466 -2.072
102 HB2 PHE 16 HB2 PHE 16 18.617 2.473 0.364
103 HB3 PHE 16 HB1 PHE 16 20.370 2.382 0.519
104 HD1 PHE 16 HD1 PHE 16 18.484 2.862 -2.646
105 HD2 PHE 16 HD2 PHE 16 20.922 4.703 0.372
106 HE1 PHE 16 HE1 PHE 16 18.719 4.881 -4.067
107 HE2 PHE 16 HE2 PHE 16 21.158 6.724 -1.048
108 HZ PHE 16 HZ PHE 16 20.056 6.811 -3.268
109 H DAL 17 HN DAL 17 19.352 -0.758 0.598
110 HA DAL 17 HA DAL 17 20.785 -2.256 1.586
111 HB1 DAL 17 HB2 DAL 17 23.217 -0.808 0.735
112 HB2 DAL 17 HB3 DAL 17 22.092 0.084 1.761
113 H ALA 18 HN ALA 18 20.235 -2.020 -1.474
114 HA ALA 18 HA ALA 18 21.617 -4.410 -2.167
115 HB1 ALA 18 HB1 ALA 18 20.545 -2.695 -4.335
116 HB2 ALA 18 HB2 ALA 18 19.392 -3.209 -3.103
117 HB3 ALA 18 HB3 ALA 18 20.293 -4.412 -4.024
118 H LYS 19 HN LYS 19 22.070 -0.987 -3.124
119 HA LYS 19 HA LYS 19 24.624 -1.800 -4.366
120 HB2 LYS 19 HB2 LYS 19 24.420 0.666 -5.260
121 HB3 LYS 19 HB1 LYS 19 23.506 -0.639 -6.017
122 HG2 LYS 19 HG2 LYS 19 22.347 0.968 -3.741
123 HG3 LYS 19 HG1 LYS 19 22.216 1.520 -5.411
124 HD2 LYS 19 HD2 LYS 19 21.492 -1.197 -5.478
125 HD3 LYS 19 HD1 LYS 19 20.695 -0.541 -4.047
126 HE2 LYS 19 HE2 LYS 19 20.550 1.251 -6.363
127 HE3 LYS 19 HE1 LYS 19 19.762 -0.302 -6.639
128 HZ1 LYS 19 HZ1 LYS 19 18.065 0.664 -5.568
129 HZ2 LYS 19 HZ2 LYS 19 19.044 1.844 -4.836
130 HZ3 LYS 19 HZ3 LYS 19 18.938 0.288 -4.163
131 H PHE 20 HN PHE 20 23.195 0.559 -2.128
132 HA PHE 20 HA PHE 20 25.909 1.051 -1.052
133 HB2 PHE 20 HB2 PHE 20 23.735 3.141 -1.261
134 HB3 PHE 20 HB1 PHE 20 25.421 3.383 -0.805
135 HD1 PHE 20 HD1 PHE 20 23.097 2.738 -3.577
136 HD2 PHE 20 HD2 PHE 20 27.210 3.306 -2.481
137 HE1 PHE 20 HE1 PHE 20 23.688 3.051 -5.964
138 HE2 PHE 20 HE2 PHE 20 27.803 3.619 -4.868
139 HZ PHE 20 HZ PHE 20 26.041 3.491 -6.611
140 H CYS 21 HN CYS 21 26.030 0.479 1.048
141 HA CYS 21 HA CYS 21 23.575 0.727 2.684
142 HB2 CYS 21 HB2 CYS 21 25.317 -1.585 2.255
143 HB3 CYS 21 HB1 CYS 21 25.080 -1.199 3.958
Start of MODEL 14
1 H1 ABA 1 HT1 ABU 1 5.011 -6.954 -2.367
2 H2 ABA 1 HT2 ABU 1 6.655 -6.911 -1.942
3 H3 ABA 1 HT3 ABU 1 6.097 -6.026 -3.280
4 HA ABA 1 HA ABU 1 5.704 -5.487 -0.409
5 HB2 ABA 1 HB2 ABU 1 7.060 -3.727 -0.824
6 HG1 ABA 1 HG1 ABU 1 8.582 -3.943 -2.600
7 HG3 ABA 1 HG3 ABU 1 7.980 -5.589 -2.402
8 HG2 ABA 1 HG2 ABU 1 7.352 -4.569 -3.699
9 H DBU 2 HN DHB 2 4.457 -3.154 -0.404
10 HB DBU 2 HB DHB 2 0.387 -3.145 -1.225
11 HG1 DBU 2 HG1 DHB 2 0.810 -5.674 -1.708
12 HG2 DBU 2 HG2 DHB 2 0.391 -5.313 -0.033
13 HG3 DBU 2 HG3 DHB 2 2.074 -5.593 -0.480
14 HA PRO 3 HA PRO 3 1.756 0.950 -2.201
15 HB2 PRO 3 HB2 PRO 3 0.739 2.185 0.042
16 HB3 PRO 3 HB1 PRO 3 -0.255 1.358 -1.174
17 HG2 PRO 3 HG2 PRO 3 0.685 0.389 1.481
18 HG3 PRO 3 HG1 PRO 3 -0.884 0.164 0.686
19 HD2 PRO 3 HD2 PRO 3 0.999 -1.796 0.740
20 HD3 PRO 3 HD1 PRO 3 -0.124 -1.593 -0.625
21 H ALA 4 HN ALA 4 3.225 -0.096 0.785
22 HA ALA 4 HA ALA 4 4.958 2.294 0.828
23 HB1 ALA 4 HB1 ALA 4 5.228 0.486 3.092
24 HB2 ALA 4 HB2 ALA 4 3.566 1.035 2.879
25 HB3 ALA 4 HB3 ALA 4 4.866 2.213 3.071
26 H CYS 5 HN CYS 5 5.134 -0.306 -0.828
27 HA CYS 5 HA CYS 5 7.016 -2.072 -0.190
28 HB2 CYS 5 HB2 CYS 5 6.728 -0.481 -2.727
29 HB3 CYS 5 HB1 CYS 5 7.977 -1.715 -2.565
30 H PHE 6 HN PHE 6 7.653 1.348 -0.806
31 HA PHE 6 HA PHE 6 10.468 1.231 -0.822
32 HB2 PHE 6 HB2 PHE 6 9.119 3.226 -1.471
33 HB3 PHE 6 HB1 PHE 6 8.719 3.472 0.226
34 HD1 PHE 6 HD1 PHE 6 9.880 5.760 -0.708
35 HD2 PHE 6 HD2 PHE 6 11.926 2.100 0.223
36 HE1 PHE 6 HE1 PHE 6 11.992 7.019 -0.392
37 HE2 PHE 6 HE2 PHE 6 14.040 3.363 0.549
38 HZ PHE 6 HZ PHE 6 14.069 5.822 0.236
39 H DBU 7 HN DHB 7 8.187 1.801 1.887
40 HB DBU 7 HB DHB 7 9.080 0.465 5.470
41 HG1 DBU 7 HG1 DHB 7 6.658 0.097 4.235
42 HG2 DBU 7 HG2 DHB 7 7.621 -1.297 4.724
43 HG3 DBU 7 HG3 DHB 7 7.682 -0.725 3.058
44 H ILE 8 HN ILE 8 9.496 2.796 5.612
45 HA ILE 8 HA ILE 8 11.614 4.527 4.890
46 HB ILE 8 HB ILE 8 10.442 3.822 7.585
47 HG12 ILE 8 HG12 ILE 8 8.945 4.968 5.955
48 HG13 ILE 8 HG11 ILE 8 9.330 5.997 7.338
49 HG21 ILE 8 HG21 ILE 8 12.496 5.899 6.782
50 HG22 ILE 8 HG22 ILE 8 12.671 4.628 7.993
51 HG23 ILE 8 HG23 ILE 8 11.578 5.981 8.286
52 HD11 ILE 8 HD11 ILE 8 9.556 7.310 5.303
53 HD12 ILE 8 HD12 ILE 8 10.624 6.096 4.597
54 HD13 ILE 8 HD13 ILE 8 11.160 7.042 5.987
55 H GLY 9 HN GLY 9 11.553 1.588 6.899
56 HA2 GLY 9 HA2 GLY 9 14.410 1.741 7.392
57 HA3 GLY 9 HA1 GLY 9 13.319 0.479 7.947
58 H LEU 10 HN LEU 10 12.276 -0.653 5.818
59 HA LEU 10 HA LEU 10 14.363 -2.207 4.726
60 HB2 LEU 10 HB2 LEU 10 12.604 -3.171 3.281
61 HB3 LEU 10 HB1 LEU 10 12.098 -3.080 4.967
62 HG LEU 10 HG LEU 10 11.205 -0.685 4.158
63 HD11 LEU 10 HD11 LEU 10 10.950 -2.436 1.694
64 HD12 LEU 10 HD12 LEU 10 12.069 -1.082 1.835
65 HD13 LEU 10 HD13 LEU 10 10.331 -0.797 1.890
66 HD21 LEU 10 HD21 LEU 10 9.139 -2.344 3.319
67 HD22 LEU 10 HD22 LEU 10 9.439 -1.841 4.982
68 HD23 LEU 10 HD23 LEU 10 10.077 -3.378 4.397
69 H GLY 11 HN GLY 11 12.662 0.625 3.531
70 HA2 GLY 11 HA2 GLY 11 13.366 0.523 0.834
71 HA3 GLY 11 HA1 GLY 11 13.066 2.000 1.739
72 H VAL 12 HN VAL 12 15.173 1.890 3.581
73 HA VAL 12 HA VAL 12 17.277 2.958 2.020
74 HB VAL 12 HB VAL 12 16.623 3.180 4.614
75 HG11 VAL 12 HG11 VAL 12 18.214 2.020 6.024
76 HG12 VAL 12 HG12 VAL 12 19.007 1.308 4.619
77 HG13 VAL 12 HG13 VAL 12 17.368 0.818 5.050
78 HG21 VAL 12 HG21 VAL 12 18.595 4.465 4.833
79 HG22 VAL 12 HG22 VAL 12 18.273 4.462 3.099
80 HG23 VAL 12 HG23 VAL 12 19.511 3.398 3.766
81 H GLY 13 HN GLY 13 16.774 -0.196 3.539
82 HA2 GLY 13 HA2 GLY 13 19.335 -1.271 2.970
83 HA3 GLY 13 HA1 GLY 13 17.875 -2.205 3.288
84 H ALA 14 HN ALA 14 16.311 -1.136 1.145
85 HA ALA 14 HA ALA 14 17.158 -2.850 -0.972
86 HB1 ALA 14 HB1 ALA 14 14.777 -2.350 -0.474
87 HB2 ALA 14 HB2 ALA 14 15.199 -2.011 -2.153
88 HB3 ALA 14 HB3 ALA 14 15.042 -0.688 -0.998
89 H LEU 15 HN LEU 15 17.224 0.618 -0.406
90 HA LEU 15 HA LEU 15 18.400 1.161 -3.021
91 HB2 LEU 15 HB2 LEU 15 17.858 3.048 -0.727
92 HB3 LEU 15 HB1 LEU 15 18.138 3.469 -2.411
93 HG LEU 15 HG LEU 15 15.835 1.777 -1.439
94 HD11 LEU 15 HD11 LEU 15 14.451 3.716 -1.677
95 HD12 LEU 15 HD12 LEU 15 15.768 4.639 -2.402
96 HD13 LEU 15 HD13 LEU 15 15.835 4.198 -0.696
97 HD21 LEU 15 HD21 LEU 15 15.816 3.194 -4.055
98 HD22 LEU 15 HD22 LEU 15 15.178 1.605 -3.636
99 HD23 LEU 15 HD23 LEU 15 16.905 1.813 -3.928
100 H PHE 16 HN PHE 16 19.211 2.012 0.330
101 HA PHE 16 HA PHE 16 21.940 2.609 -0.291
102 HB2 PHE 16 HB2 PHE 16 20.824 3.751 1.531
103 HB3 PHE 16 HB1 PHE 16 20.496 2.216 2.335
104 HD1 PHE 16 HD1 PHE 16 23.173 4.577 1.333
105 HD2 PHE 16 HD2 PHE 16 22.182 1.035 3.549
106 HE1 PHE 16 HE1 PHE 16 25.396 4.645 2.433
107 HE2 PHE 16 HE2 PHE 16 24.404 1.102 4.653
108 HZ PHE 16 HZ PHE 16 26.011 2.908 4.094
109 H DAL 17 HN DAL 17 20.186 -0.162 0.907
110 HA DAL 17 HA DAL 17 20.891 -2.239 1.629
111 HB1 DAL 17 HB2 DAL 17 23.721 -1.216 1.367
112 HB2 DAL 17 HB3 DAL 17 22.748 -1.069 2.825
113 H ALA 18 HN ALA 18 20.751 -1.032 -1.207
114 HA ALA 18 HA ALA 18 21.151 -3.470 -2.589
115 HB1 ALA 18 HB1 ALA 18 20.145 -0.816 -3.176
116 HB2 ALA 18 HB2 ALA 18 19.680 -2.372 -3.863
117 HB3 ALA 18 HB3 ALA 18 21.050 -1.488 -4.532
118 H LYS 19 HN LYS 19 23.157 -0.492 -2.544
119 HA LYS 19 HA LYS 19 25.122 -1.930 -4.215
120 HB2 LYS 19 HB2 LYS 19 26.209 0.351 -4.407
121 HB3 LYS 19 HB1 LYS 19 24.627 0.203 -5.169
122 HG2 LYS 19 HG2 LYS 19 24.610 1.047 -2.328
123 HG3 LYS 19 HG1 LYS 19 25.274 2.214 -3.471
124 HD2 LYS 19 HD2 LYS 19 23.225 1.981 -4.861
125 HD3 LYS 19 HD1 LYS 19 22.553 0.888 -3.651
126 HE2 LYS 19 HE2 LYS 19 22.699 2.662 -1.955
127 HE3 LYS 19 HE1 LYS 19 23.390 3.758 -3.148
128 HZ1 LYS 19 HZ1 LYS 19 21.103 2.760 -4.301
129 HZ2 LYS 19 HZ2 LYS 19 21.326 4.320 -3.664
130 HZ3 LYS 19 HZ3 LYS 19 20.669 3.089 -2.694
131 H PHE 20 HN PHE 20 24.602 -0.307 -1.193
132 HA PHE 20 HA PHE 20 27.309 -0.977 -0.281
133 HB2 PHE 20 HB2 PHE 20 25.147 0.681 1.051
134 HB3 PHE 20 HB1 PHE 20 26.789 0.452 1.649
135 HD1 PHE 20 HD1 PHE 20 24.667 2.227 -0.716
136 HD2 PHE 20 HD2 PHE 20 28.735 1.320 0.322
137 HE1 PHE 20 HE1 PHE 20 25.449 4.100 -2.142
138 HE2 PHE 20 HE2 PHE 20 29.516 3.193 -1.103
139 HZ PHE 20 HZ PHE 20 27.873 4.584 -2.335
140 H CYS 21 HN CYS 21 27.225 -1.644 2.149
141 HA CYS 21 HA CYS 21 26.828 -3.380 3.602
142 HB2 CYS 21 HB2 CYS 21 24.642 -3.510 4.428
143 HB3 CYS 21 HB1 CYS 21 24.707 -1.886 3.746
Start of MODEL 15
1 H1 ABA 1 HT1 ABU 1 4.632 -4.122 -4.923
2 H2 ABA 1 HT2 ABU 1 4.892 -5.335 -3.761
3 H3 ABA 1 HT3 ABU 1 6.035 -4.095 -3.970
4 HA ABA 1 HA ABU 1 3.294 -3.848 -2.864
5 HB2 ABA 1 HB2 ABU 1 5.215 -2.651 -1.209
6 HG1 ABA 1 HG1 ABU 1 4.750 -4.820 0.155
7 HG3 ABA 1 HG3 ABU 1 3.389 -3.767 -0.229
8 HG2 ABA 1 HG2 ABU 1 3.663 -5.233 -1.170
9 H DBU 2 HN DHB 2 6.275 -2.121 -3.810
10 HB DBU 2 HB DHB 2 5.415 1.399 -5.632
11 HG1 DBU 2 HG1 DHB 2 4.640 -1.480 -6.385
12 HG2 DBU 2 HG2 DHB 2 5.300 -0.290 -7.506
13 HG3 DBU 2 HG3 DHB 2 3.680 -0.073 -6.842
14 HA PRO 3 HA PRO 3 6.845 3.016 -1.898
15 HB2 PRO 3 HB2 PRO 3 4.612 3.909 -0.547
16 HB3 PRO 3 HB1 PRO 3 5.121 4.507 -2.138
17 HG2 PRO 3 HG2 PRO 3 3.018 2.522 -1.446
18 HG3 PRO 3 HG1 PRO 3 3.024 3.776 -2.699
19 HD2 PRO 3 HD2 PRO 3 3.474 1.146 -3.260
20 HD3 PRO 3 HD1 PRO 3 4.212 2.465 -4.197
21 H ALA 4 HN ALA 4 4.671 0.488 -0.826
22 HA ALA 4 HA ALA 4 5.538 0.694 1.951
23 HB1 ALA 4 HB1 ALA 4 3.981 -1.134 2.358
24 HB2 ALA 4 HB2 ALA 4 3.761 -1.367 0.624
25 HB3 ALA 4 HB3 ALA 4 3.189 0.112 1.395
26 H CYS 5 HN CYS 5 6.220 -1.169 -0.915
27 HA CYS 5 HA CYS 5 7.524 -3.354 0.362
28 HB2 CYS 5 HB2 CYS 5 7.329 -2.304 -2.415
29 HB3 CYS 5 HB1 CYS 5 8.689 -3.367 -2.044
30 H PHE 6 HN PHE 6 8.599 -0.197 -0.804
31 HA PHE 6 HA PHE 6 11.367 -0.608 -0.660
32 HB2 PHE 6 HB2 PHE 6 10.872 1.423 -1.639
33 HB3 PHE 6 HB1 PHE 6 9.580 1.783 -0.496
34 HD1 PHE 6 HD1 PHE 6 12.948 0.624 0.513
35 HD2 PHE 6 HD2 PHE 6 10.334 4.005 0.114
36 HE1 PHE 6 HE1 PHE 6 14.496 1.972 1.895
37 HE2 PHE 6 HE2 PHE 6 11.888 5.365 1.489
38 HZ PHE 6 HZ PHE 6 13.970 4.352 2.379
39 H DBU 7 HN DHB 7 9.127 0.619 1.865
40 HB DBU 7 HB DHB 7 10.167 -0.502 5.591
41 HG1 DBU 7 HG1 DHB 7 9.961 -2.758 4.128
42 HG2 DBU 7 HG2 DHB 7 8.654 -1.881 3.337
43 HG3 DBU 7 HG3 DHB 7 8.557 -2.241 5.060
44 H ILE 8 HN ILE 8 9.293 2.181 5.010
45 HA ILE 8 HA ILE 8 11.090 4.254 4.320
46 HB ILE 8 HB ILE 8 9.218 3.923 6.667
47 HG12 ILE 8 HG12 ILE 8 9.018 5.706 4.226
48 HG13 ILE 8 HG11 ILE 8 8.315 4.087 4.288
49 HG21 ILE 8 HG21 ILE 8 10.848 5.489 7.410
50 HG22 ILE 8 HG22 ILE 8 9.520 6.469 6.787
51 HG23 ILE 8 HG23 ILE 8 10.972 6.231 5.814
52 HD11 ILE 8 HD11 ILE 8 7.524 6.558 5.783
53 HD12 ILE 8 HD12 ILE 8 7.279 4.993 6.559
54 HD13 ILE 8 HD13 ILE 8 6.506 5.341 5.013
55 H GLY 9 HN GLY 9 10.981 2.084 7.137
56 HA2 GLY 9 HA2 GLY 9 13.317 3.284 8.344
57 HA3 GLY 9 HA1 GLY 9 12.464 1.855 8.910
58 H LEU 10 HN LEU 10 13.209 -0.147 8.380
59 HA LEU 10 HA LEU 10 15.888 -0.425 7.565
60 HB2 LEU 10 HB2 LEU 10 15.657 -2.640 8.060
61 HB3 LEU 10 HB1 LEU 10 14.234 -2.035 8.898
62 HG LEU 10 HG LEU 10 13.558 -3.961 7.636
63 HD11 LEU 10 HD11 LEU 10 11.664 -2.926 7.050
64 HD12 LEU 10 HD12 LEU 10 12.442 -2.249 5.620
65 HD13 LEU 10 HD13 LEU 10 12.497 -1.375 7.153
66 HD21 LEU 10 HD21 LEU 10 14.416 -4.555 5.628
67 HD22 LEU 10 HD22 LEU 10 15.605 -3.283 5.906
68 HD23 LEU 10 HD23 LEU 10 14.164 -2.947 4.949
69 H GLY 11 HN GLY 11 12.930 -0.330 5.784
70 HA2 GLY 11 HA2 GLY 11 13.411 -1.643 3.454
71 HA3 GLY 11 HA1 GLY 11 12.599 -0.087 3.530
72 H VAL 12 HN VAL 12 15.111 1.142 4.656
73 HA VAL 12 HA VAL 12 16.189 2.105 2.226
74 HB VAL 12 HB VAL 12 16.263 3.287 4.450
75 HG11 VAL 12 HG11 VAL 12 17.911 2.673 6.071
76 HG12 VAL 12 HG12 VAL 12 18.650 1.501 4.978
77 HG13 VAL 12 HG13 VAL 12 17.055 1.186 5.663
78 HG21 VAL 12 HG21 VAL 12 18.447 4.296 4.035
79 HG22 VAL 12 HG22 VAL 12 17.677 3.937 2.490
80 HG23 VAL 12 HG23 VAL 12 18.954 2.887 3.104
81 H GLY 13 HN GLY 13 17.244 -0.409 4.485
82 HA2 GLY 13 HA2 GLY 13 19.770 -0.917 3.326
83 HA3 GLY 13 HA1 GLY 13 18.844 -2.057 4.298
84 H ALA 14 HN ALA 14 16.608 -2.499 2.812
85 HA ALA 14 HA ALA 14 17.578 -4.239 0.770
86 HB1 ALA 14 HB1 ALA 14 14.774 -3.657 0.488
87 HB2 ALA 14 HB2 ALA 14 15.173 -3.876 2.191
88 HB3 ALA 14 HB3 ALA 14 15.546 -5.148 1.027
89 H LEU 15 HN LEU 15 15.938 -1.115 0.787
90 HA LEU 15 HA LEU 15 15.686 -0.906 -2.047
91 HB2 LEU 15 HB2 LEU 15 14.507 0.331 -0.002
92 HB3 LEU 15 HB1 LEU 15 15.759 1.524 -0.339
93 HG LEU 15 HG LEU 15 13.780 2.059 -1.644
94 HD11 LEU 15 HD11 LEU 15 15.949 2.458 -2.711
95 HD12 LEU 15 HD12 LEU 15 14.771 1.949 -3.920
96 HD13 LEU 15 HD13 LEU 15 15.971 0.804 -3.322
97 HD21 LEU 15 HD21 LEU 15 12.460 0.281 -2.149
98 HD22 LEU 15 HD22 LEU 15 13.809 -0.850 -2.051
99 HD23 LEU 15 HD23 LEU 15 13.524 0.057 -3.537
100 H PHE 16 HN PHE 16 17.700 0.973 0.225
101 HA PHE 16 HA PHE 16 19.474 1.693 -1.991
102 HB2 PHE 16 HB2 PHE 16 18.860 3.578 -0.710
103 HB3 PHE 16 HB1 PHE 16 19.116 2.727 0.814
104 HD1 PHE 16 HD1 PHE 16 20.730 4.468 -1.986
105 HD2 PHE 16 HD2 PHE 16 21.375 2.263 1.643
106 HE1 PHE 16 HE1 PHE 16 23.090 5.234 -1.943
107 HE2 PHE 16 HE2 PHE 16 23.736 3.031 1.688
108 HZ PHE 16 HZ PHE 16 24.592 4.517 -0.105
109 H DAL 17 HN DAL 17 19.449 -0.140 0.991
110 HA DAL 17 HA DAL 17 21.023 -1.464 2.006
111 HB1 DAL 17 HB2 DAL 17 23.042 0.106 0.393
112 HB2 DAL 17 HB3 DAL 17 22.425 0.588 1.967
113 H ALA 18 HN ALA 18 19.804 -1.923 -0.720
114 HA ALA 18 HA ALA 18 20.950 -4.457 -1.210
115 HB1 ALA 18 HB1 ALA 18 18.726 -4.343 -1.822
116 HB2 ALA 18 HB2 ALA 18 19.512 -4.187 -3.392
117 HB3 ALA 18 HB3 ALA 18 18.902 -2.754 -2.567
118 H LYS 19 HN LYS 19 21.302 -1.364 -2.965
119 HA LYS 19 HA LYS 19 23.252 -2.682 -4.741
120 HB2 LYS 19 HB2 LYS 19 23.041 -0.687 -6.165
121 HB3 LYS 19 HB1 LYS 19 21.469 -1.431 -5.885
122 HG2 LYS 19 HG2 LYS 19 22.081 0.518 -3.820
123 HG3 LYS 19 HG1 LYS 19 22.154 1.249 -5.422
124 HD2 LYS 19 HD2 LYS 19 19.913 0.201 -5.914
125 HD3 LYS 19 HD1 LYS 19 19.834 -0.289 -4.220
126 HE2 LYS 19 HE2 LYS 19 20.211 2.160 -3.625
127 HE3 LYS 19 HE1 LYS 19 19.937 2.525 -5.329
128 HZ1 LYS 19 HZ1 LYS 19 17.775 2.450 -4.939
129 HZ2 LYS 19 HZ2 LYS 19 18.041 2.022 -3.316
130 HZ3 LYS 19 HZ3 LYS 19 17.904 0.815 -4.505
131 H PHE 20 HN PHE 20 22.786 -0.177 -2.406
132 HA PHE 20 HA PHE 20 25.629 0.557 -2.495
133 HB2 PHE 20 HB2 PHE 20 23.250 1.881 -1.169
134 HB3 PHE 20 HB1 PHE 20 24.914 2.439 -1.013
135 HD1 PHE 20 HD1 PHE 20 21.985 2.266 -3.174
136 HD2 PHE 20 HD2 PHE 20 26.169 3.230 -3.025
137 HE1 PHE 20 HE1 PHE 20 21.781 3.480 -5.326
138 HE2 PHE 20 HE2 PHE 20 25.964 4.446 -5.177
139 HZ PHE 20 HZ PHE 20 23.770 4.571 -6.328
140 H CYS 21 HN CYS 21 26.360 1.168 -0.153
141 HA CYS 21 HA CYS 21 27.135 0.323 1.836
142 HB2 CYS 21 HB2 CYS 21 25.489 -0.140 3.454
143 HB3 CYS 21 HB1 CYS 21 24.668 0.931 2.320
Start of MODEL 16
1 H1 ABA 1 HT1 ABU 1 4.534 -6.327 -2.372
2 H2 ABA 1 HT2 ABU 1 5.750 -5.394 -3.106
3 H3 ABA 1 HT3 ABU 1 4.336 -5.783 -3.966
4 HA ABA 1 HA ABU 1 3.030 -4.305 -2.799
5 HB2 ABA 1 HB2 ABU 1 4.132 -3.223 -0.671
6 HG1 ABA 1 HG1 ABU 1 2.130 -4.754 -0.771
7 HG3 ABA 1 HG3 ABU 1 3.234 -6.118 -0.587
8 HG2 ABA 1 HG2 ABU 1 3.086 -4.922 0.701
9 H DBU 2 HN DHB 2 3.726 -1.848 -1.946
10 HB DBU 2 HB DHB 2 5.660 0.622 -4.675
11 HG1 DBU 2 HG1 DHB 2 4.010 -1.748 -5.524
12 HG2 DBU 2 HG2 DHB 2 5.741 -1.912 -5.820
13 HG3 DBU 2 HG3 DHB 2 4.841 -0.585 -6.559
14 HA PRO 3 HA PRO 3 5.438 2.824 -0.889
15 HB2 PRO 3 HB2 PRO 3 2.647 2.566 0.125
16 HB3 PRO 3 HB1 PRO 3 3.511 4.005 -0.453
17 HG2 PRO 3 HG2 PRO 3 1.638 2.823 -1.931
18 HG3 PRO 3 HG1 PRO 3 3.083 3.540 -2.661
19 HD2 PRO 3 HD2 PRO 3 2.432 0.653 -2.223
20 HD3 PRO 3 HD1 PRO 3 3.350 1.416 -3.541
21 H ALA 4 HN ALA 4 3.571 0.023 0.241
22 HA ALA 4 HA ALA 4 4.535 0.349 2.971
23 HB1 ALA 4 HB1 ALA 4 2.797 -1.761 1.673
24 HB2 ALA 4 HB2 ALA 4 2.257 -0.424 2.690
25 HB3 ALA 4 HB3 ALA 4 3.216 -1.732 3.386
26 H CYS 5 HN CYS 5 5.251 -1.525 0.113
27 HA CYS 5 HA CYS 5 6.865 -3.487 1.450
28 HB2 CYS 5 HB2 CYS 5 6.294 -2.754 -1.381
29 HB3 CYS 5 HB1 CYS 5 7.768 -3.667 -1.047
30 H PHE 6 HN PHE 6 7.468 -0.404 -0.172
31 HA PHE 6 HA PHE 6 10.276 -0.512 -0.228
32 HB2 PHE 6 HB2 PHE 6 9.212 1.207 -1.479
33 HB3 PHE 6 HB1 PHE 6 8.348 1.805 -0.062
34 HD1 PHE 6 HD1 PHE 6 11.899 1.083 -1.096
35 HD2 PHE 6 HD2 PHE 6 9.189 3.708 0.959
36 HE1 PHE 6 HE1 PHE 6 13.779 2.624 -0.574
37 HE2 PHE 6 HE2 PHE 6 11.065 5.243 1.472
38 HZ PHE 6 HZ PHE 6 13.357 4.702 0.705
39 H DBU 7 HN DHB 7 8.077 0.826 2.262
40 HB DBU 7 HB DHB 7 9.229 0.626 6.035
41 HG1 DBU 7 HG1 DHB 7 7.853 -1.363 4.250
42 HG2 DBU 7 HG2 DHB 7 6.771 -0.182 4.991
43 HG3 DBU 7 HG3 DHB 7 7.749 -1.243 6.008
44 H ILE 8 HN ILE 8 9.552 2.824 5.538
45 HA ILE 8 HA ILE 8 11.465 4.435 4.217
46 HB ILE 8 HB ILE 8 10.600 4.331 7.114
47 HG12 ILE 8 HG12 ILE 8 9.947 6.330 4.928
48 HG13 ILE 8 HG11 ILE 8 8.918 4.949 5.316
49 HG21 ILE 8 HG21 ILE 8 12.834 5.334 6.939
50 HG22 ILE 8 HG22 ILE 8 11.635 6.583 7.270
51 HG23 ILE 8 HG23 ILE 8 12.276 6.387 5.639
52 HD11 ILE 8 HD11 ILE 8 8.228 5.848 7.311
53 HD12 ILE 8 HD12 ILE 8 8.610 7.360 6.487
54 HD13 ILE 8 HD13 ILE 8 9.773 6.646 7.604
55 H GLY 9 HN GLY 9 11.786 2.073 6.859
56 HA2 GLY 9 HA2 GLY 9 14.647 2.471 7.062
57 HA3 GLY 9 HA1 GLY 9 13.691 1.277 7.934
58 H LEU 10 HN LEU 10 12.604 -0.321 6.177
59 HA LEU 10 HA LEU 10 14.732 -1.907 5.203
60 HB2 LEU 10 HB2 LEU 10 13.125 -3.468 4.738
61 HB3 LEU 10 HB1 LEU 10 12.173 -2.436 5.804
62 HG LEU 10 HG LEU 10 11.565 -1.138 3.638
63 HD11 LEU 10 HD11 LEU 10 13.162 -3.350 2.618
64 HD12 LEU 10 HD12 LEU 10 12.588 -1.907 1.780
65 HD13 LEU 10 HD13 LEU 10 11.551 -3.329 1.902
66 HD21 LEU 10 HD21 LEU 10 9.600 -2.155 4.035
67 HD22 LEU 10 HD22 LEU 10 10.443 -3.398 4.961
68 HD23 LEU 10 HD23 LEU 10 10.180 -3.613 3.230
69 H GLY 11 HN GLY 11 12.684 0.507 3.701
70 HA2 GLY 11 HA2 GLY 11 13.133 -0.050 1.001
71 HA3 GLY 11 HA1 GLY 11 12.795 1.548 1.657
72 H VAL 12 HN VAL 12 15.003 2.019 3.217
73 HA VAL 12 HA VAL 12 16.910 2.826 1.287
74 HB VAL 12 HB VAL 12 16.371 3.648 3.773
75 HG11 VAL 12 HG11 VAL 12 18.146 2.972 5.318
76 HG12 VAL 12 HG12 VAL 12 18.832 1.903 4.095
77 HG13 VAL 12 HG13 VAL 12 17.249 1.549 4.787
78 HG21 VAL 12 HG21 VAL 12 19.235 3.869 2.961
79 HG22 VAL 12 HG22 VAL 12 18.102 5.136 3.433
80 HG23 VAL 12 HG23 VAL 12 18.012 4.430 1.818
81 H GLY 13 HN GLY 13 16.828 0.141 3.604
82 HA2 GLY 13 HA2 GLY 13 19.434 -0.841 3.077
83 HA3 GLY 13 HA1 GLY 13 18.110 -1.764 3.782
84 H ALA 14 HN ALA 14 16.269 -1.523 1.640
85 HA ALA 14 HA ALA 14 17.161 -3.653 -0.033
86 HB1 ALA 14 HB1 ALA 14 14.715 -1.935 0.118
87 HB2 ALA 14 HB2 ALA 14 14.866 -3.686 0.271
88 HB3 ALA 14 HB3 ALA 14 14.985 -2.925 -1.315
89 H LEU 15 HN LEU 15 16.840 -0.181 -0.407
90 HA LEU 15 HA LEU 15 17.716 -0.284 -3.203
91 HB2 LEU 15 HB2 LEU 15 16.984 2.088 -1.481
92 HB3 LEU 15 HB1 LEU 15 17.126 2.052 -3.235
93 HG LEU 15 HG LEU 15 15.143 0.483 -1.593
94 HD11 LEU 15 HD11 LEU 15 14.912 3.049 -1.969
95 HD12 LEU 15 HD12 LEU 15 13.517 2.015 -2.279
96 HD13 LEU 15 HD13 LEU 15 14.501 2.599 -3.623
97 HD21 LEU 15 HD21 LEU 15 15.968 -0.646 -3.689
98 HD22 LEU 15 HD22 LEU 15 15.373 0.737 -4.605
99 HD23 LEU 15 HD23 LEU 15 14.244 -0.281 -3.711
100 H PHE 16 HN PHE 16 18.562 1.645 -0.342
101 HA PHE 16 HA PHE 16 21.144 2.328 -1.380
102 HB2 PHE 16 HB2 PHE 16 19.992 3.862 0.103
103 HB3 PHE 16 HB1 PHE 16 19.924 2.640 1.372
104 HD1 PHE 16 HD1 PHE 16 22.255 4.711 -0.660
105 HD2 PHE 16 HD2 PHE 16 21.767 2.219 2.802
106 HE1 PHE 16 HE1 PHE 16 24.511 5.377 0.133
107 HE2 PHE 16 HE2 PHE 16 24.021 2.888 3.601
108 HZ PHE 16 HZ PHE 16 25.392 4.468 2.266
109 H DAL 17 HN DAL 17 19.849 -0.105 0.791
110 HA DAL 17 HA DAL 17 20.874 -1.790 1.989
111 HB1 DAL 17 HB2 DAL 17 23.483 -0.429 1.294
112 HB2 DAL 17 HB3 DAL 17 22.516 -0.064 2.717
113 H ALA 18 HN ALA 18 20.321 -1.646 -0.936
114 HA ALA 18 HA ALA 18 21.342 -4.210 -1.642
115 HB1 ALA 18 HB1 ALA 18 19.658 -2.136 -2.952
116 HB2 ALA 18 HB2 ALA 18 19.327 -3.845 -2.666
117 HB3 ALA 18 HB3 ALA 18 20.398 -3.360 -3.982
118 H LYS 19 HN LYS 19 22.292 -0.921 -2.582
119 HA LYS 19 HA LYS 19 24.380 -2.058 -4.318
120 HB2 LYS 19 HB2 LYS 19 24.515 0.680 -4.635
121 HB3 LYS 19 HB1 LYS 19 23.601 -0.413 -5.675
122 HG2 LYS 19 HG2 LYS 19 21.625 -0.121 -4.192
123 HG3 LYS 19 HG1 LYS 19 22.539 1.035 -3.232
124 HD2 LYS 19 HD2 LYS 19 21.260 2.346 -4.750
125 HD3 LYS 19 HD1 LYS 19 22.896 2.333 -5.411
126 HE2 LYS 19 HE2 LYS 19 22.319 0.681 -7.047
127 HE3 LYS 19 HE1 LYS 19 20.776 0.347 -6.260
128 HZ1 LYS 19 HZ1 LYS 19 21.225 3.106 -7.040
129 HZ2 LYS 19 HZ2 LYS 19 19.823 2.155 -7.163
130 HZ3 LYS 19 HZ3 LYS 19 21.057 2.010 -8.322
131 H PHE 20 HN PHE 20 23.823 -0.625 -1.321
132 HA PHE 20 HA PHE 20 26.715 -0.258 -0.865
133 HB2 PHE 20 HB2 PHE 20 24.546 1.364 0.472
134 HB3 PHE 20 HB1 PHE 20 26.286 1.646 0.505
135 HD1 PHE 20 HD1 PHE 20 23.305 1.596 -1.706
136 HD2 PHE 20 HD2 PHE 20 27.379 2.856 -1.233
137 HE1 PHE 20 HE1 PHE 20 23.108 2.971 -3.749
138 HE2 PHE 20 HE2 PHE 20 27.187 4.243 -3.283
139 HZ PHE 20 HZ PHE 20 25.049 4.302 -4.542
140 H CYS 21 HN CYS 21 26.971 -0.095 1.664
141 HA CYS 21 HA CYS 21 27.041 -1.306 3.621
142 HB2 CYS 21 HB2 CYS 21 24.972 -1.589 4.715
143 HB3 CYS 21 HB1 CYS 21 24.688 -0.240 3.620
Start of MODEL 17
1 H1 ABA 1 HT1 ABU 1 6.130 -4.332 -5.956
2 H2 ABA 1 HT2 ABU 1 4.728 -5.290 -5.879
3 H3 ABA 1 HT3 ABU 1 6.142 -5.782 -5.077
4 HA ABA 1 HA ABU 1 4.170 -4.610 -3.809
5 HB2 ABA 1 HB2 ABU 1 6.037 -5.419 -2.602
6 HG1 ABA 1 HG1 ABU 1 8.181 -5.116 -3.235
7 HG3 ABA 1 HG3 ABU 1 7.525 -4.336 -4.673
8 HG2 ABA 1 HG2 ABU 1 8.006 -3.363 -3.283
9 H DBU 2 HN DHB 2 6.723 -2.303 -3.574
10 HB DBU 2 HB DHB 2 5.488 1.166 -5.535
11 HG1 DBU 2 HG1 DHB 2 3.725 -0.692 -6.445
12 HG2 DBU 2 HG2 DHB 2 5.231 -1.541 -6.792
13 HG3 DBU 2 HG3 DHB 2 4.912 0.028 -7.532
14 HA PRO 3 HA PRO 3 7.511 2.424 -1.898
15 HB2 PRO 3 HB2 PRO 3 5.457 3.857 -0.830
16 HB3 PRO 3 HB1 PRO 3 6.115 4.166 -2.450
17 HG2 PRO 3 HG2 PRO 3 3.638 2.727 -1.655
18 HG3 PRO 3 HG1 PRO 3 3.933 3.795 -3.036
19 HD2 PRO 3 HD2 PRO 3 3.891 1.042 -3.201
20 HD3 PRO 3 HD1 PRO 3 4.757 2.099 -4.335
21 H ALA 4 HN ALA 4 4.613 0.678 -0.866
22 HA ALA 4 HA ALA 4 5.100 0.883 1.934
23 HB1 ALA 4 HB1 ALA 4 3.606 -1.401 1.632
24 HB2 ALA 4 HB2 ALA 4 3.214 -0.502 0.167
25 HB3 ALA 4 HB3 ALA 4 2.948 0.231 1.749
26 H CYS 5 HN CYS 5 6.228 -1.265 -0.578
27 HA CYS 5 HA CYS 5 7.226 -3.255 1.273
28 HB2 CYS 5 HB2 CYS 5 8.289 -3.200 -1.472
29 HB3 CYS 5 HB1 CYS 5 7.554 -4.528 -0.569
30 H PHE 6 HN PHE 6 8.353 -0.328 -0.199
31 HA PHE 6 HA PHE 6 11.121 -0.768 -0.206
32 HB2 PHE 6 HB2 PHE 6 10.482 1.200 -1.277
33 HB3 PHE 6 HB1 PHE 6 9.395 1.674 0.026
34 HD1 PHE 6 HD1 PHE 6 12.780 0.388 0.682
35 HD2 PHE 6 HD2 PHE 6 10.358 3.911 0.282
36 HE1 PHE 6 HE1 PHE 6 14.577 1.730 1.718
37 HE2 PHE 6 HE2 PHE 6 12.164 5.266 1.313
38 HZ PHE 6 HZ PHE 6 14.276 4.177 2.032
39 H DBU 7 HN DHB 7 9.046 0.631 2.362
40 HB DBU 7 HB DHB 7 10.218 -0.258 6.088
41 HG1 DBU 7 HG1 DHB 7 9.191 -2.356 5.799
42 HG2 DBU 7 HG2 DHB 7 9.740 -2.388 4.122
43 HG3 DBU 7 HG3 DHB 7 8.203 -1.625 4.533
44 H ILE 8 HN ILE 8 9.334 2.371 5.379
45 HA ILE 8 HA ILE 8 11.147 4.390 4.552
46 HB ILE 8 HB ILE 8 9.324 4.195 6.956
47 HG12 ILE 8 HG12 ILE 8 8.245 4.228 4.706
48 HG13 ILE 8 HG11 ILE 8 7.894 5.688 5.633
49 HG21 ILE 8 HG21 ILE 8 9.975 6.885 6.194
50 HG22 ILE 8 HG22 ILE 8 11.473 5.999 6.480
51 HG23 ILE 8 HG23 ILE 8 10.247 6.090 7.744
52 HD11 ILE 8 HD11 ILE 8 9.852 5.354 3.356
53 HD12 ILE 8 HD12 ILE 8 9.916 6.734 4.452
54 HD13 ILE 8 HD13 ILE 8 8.483 6.462 3.461
55 H GLY 9 HN GLY 9 11.012 2.354 7.461
56 HA2 GLY 9 HA2 GLY 9 13.348 3.527 8.649
57 HA3 GLY 9 HA1 GLY 9 12.536 2.056 9.173
58 H LEU 10 HN LEU 10 13.463 0.151 8.750
59 HA LEU 10 HA LEU 10 16.093 -0.017 7.768
60 HB2 LEU 10 HB2 LEU 10 15.976 -2.239 8.314
61 HB3 LEU 10 HB1 LEU 10 14.549 -1.692 9.193
62 HG LEU 10 HG LEU 10 13.261 -2.152 6.995
63 HD11 LEU 10 HD11 LEU 10 15.974 -3.129 6.369
64 HD12 LEU 10 HD12 LEU 10 14.668 -2.656 5.280
65 HD13 LEU 10 HD13 LEU 10 14.684 -4.272 5.991
66 HD21 LEU 10 HD21 LEU 10 13.115 -3.525 9.075
67 HD22 LEU 10 HD22 LEU 10 14.471 -4.495 8.501
68 HD23 LEU 10 HD23 LEU 10 12.947 -4.498 7.614
69 H GLY 11 HN GLY 11 12.994 -0.233 6.197
70 HA2 GLY 11 HA2 GLY 11 13.358 -1.578 3.893
71 HA3 GLY 11 HA1 GLY 11 12.518 -0.034 3.942
72 H VAL 12 HN VAL 12 15.161 1.183 4.882
73 HA VAL 12 HA VAL 12 16.029 2.209 2.409
74 HB VAL 12 HB VAL 12 16.393 3.298 4.629
75 HG11 VAL 12 HG11 VAL 12 18.167 2.513 6.082
76 HG12 VAL 12 HG12 VAL 12 18.601 1.240 4.940
77 HG13 VAL 12 HG13 VAL 12 17.059 1.172 5.796
78 HG21 VAL 12 HG21 VAL 12 19.099 2.833 3.405
79 HG22 VAL 12 HG22 VAL 12 18.373 4.343 3.955
80 HG23 VAL 12 HG23 VAL 12 17.839 3.605 2.446
81 H GLY 13 HN GLY 13 17.200 -0.496 4.382
82 HA2 GLY 13 HA2 GLY 13 19.590 -1.035 3.040
83 HA3 GLY 13 HA1 GLY 13 18.609 -2.241 3.871
84 H ALA 14 HN ALA 14 16.290 -2.191 2.377
85 HA ALA 14 HA ALA 14 17.039 -3.762 0.115
86 HB1 ALA 14 HB1 ALA 14 15.000 -4.439 1.003
87 HB2 ALA 14 HB2 ALA 14 14.472 -3.471 -0.374
88 HB3 ALA 14 HB3 ALA 14 14.441 -2.785 1.251
89 H LEU 15 HN LEU 15 15.969 -0.451 0.584
90 HA LEU 15 HA LEU 15 15.632 0.130 -2.205
91 HB2 LEU 15 HB2 LEU 15 14.414 1.473 -0.667
92 HB3 LEU 15 HB1 LEU 15 15.866 1.865 0.254
93 HG LEU 15 HG LEU 15 16.753 2.920 -1.917
94 HD11 LEU 15 HD11 LEU 15 14.159 1.938 -2.753
95 HD12 LEU 15 HD12 LEU 15 15.471 2.592 -3.735
96 HD13 LEU 15 HD13 LEU 15 14.285 3.678 -3.008
97 HD21 LEU 15 HD21 LEU 15 15.462 3.997 0.190
98 HD22 LEU 15 HD22 LEU 15 14.316 4.420 -1.083
99 HD23 LEU 15 HD23 LEU 15 15.990 4.965 -1.186
100 H PHE 16 HN PHE 16 17.972 1.474 0.122
101 HA PHE 16 HA PHE 16 19.830 1.962 -2.099
102 HB2 PHE 16 HB2 PHE 16 19.394 3.126 0.587
103 HB3 PHE 16 HB1 PHE 16 21.070 3.033 0.047
104 HD1 PHE 16 HD1 PHE 16 17.763 4.512 -0.592
105 HD2 PHE 16 HD2 PHE 16 21.829 4.231 -1.939
106 HE1 PHE 16 HE1 PHE 16 17.407 6.475 -2.067
107 HE2 PHE 16 HE2 PHE 16 21.476 6.194 -3.416
108 HZ PHE 16 HZ PHE 16 19.264 7.316 -3.480
109 H DAL 17 HN DAL 17 19.472 0.055 0.808
110 HA DAL 17 HA DAL 17 20.758 -1.587 1.750
111 HB1 DAL 17 HB2 DAL 17 23.058 -0.271 0.314
112 HB2 DAL 17 HB3 DAL 17 22.445 0.242 1.878
113 H ALA 18 HN ALA 18 19.580 -1.705 -1.021
114 HA ALA 18 HA ALA 18 20.444 -4.337 -1.656
115 HB1 ALA 18 HB1 ALA 18 18.223 -3.907 -2.238
116 HB2 ALA 18 HB2 ALA 18 19.044 -3.834 -3.797
117 HB3 ALA 18 HB3 ALA 18 18.611 -2.344 -2.958
118 H LYS 19 HN LYS 19 21.096 -1.166 -3.119
119 HA LYS 19 HA LYS 19 22.911 -2.458 -5.041
120 HB2 LYS 19 HB2 LYS 19 22.791 -0.436 -6.320
121 HB3 LYS 19 HB1 LYS 19 21.142 -0.801 -5.817
122 HG2 LYS 19 HG2 LYS 19 22.576 0.824 -3.853
123 HG3 LYS 19 HG1 LYS 19 22.460 1.611 -5.426
124 HD2 LYS 19 HD2 LYS 19 19.965 0.917 -5.369
125 HD3 LYS 19 HD1 LYS 19 20.224 0.653 -3.644
126 HE2 LYS 19 HE2 LYS 19 19.431 2.918 -3.923
127 HE3 LYS 19 HE1 LYS 19 21.142 2.996 -3.504
128 HZ1 LYS 19 HZ1 LYS 19 21.728 3.631 -5.595
129 HZ2 LYS 19 HZ2 LYS 19 20.183 4.335 -5.521
130 HZ3 LYS 19 HZ3 LYS 19 20.411 2.861 -6.336
131 H PHE 20 HN PHE 20 22.788 -0.491 -2.232
132 HA PHE 20 HA PHE 20 25.703 -0.034 -2.362
133 HB2 PHE 20 HB2 PHE 20 23.633 1.585 -0.848
134 HB3 PHE 20 HB1 PHE 20 25.369 1.895 -0.894
135 HD1 PHE 20 HD1 PHE 20 23.472 3.990 -1.727
136 HD2 PHE 20 HD2 PHE 20 25.210 0.778 -3.985
137 HE1 PHE 20 HE1 PHE 20 23.179 5.298 -3.814
138 HE2 PHE 20 HE2 PHE 20 24.915 2.083 -6.070
139 HZ PHE 20 HZ PHE 20 23.901 4.344 -5.986
140 H CYS 21 HN CYS 21 26.409 0.432 0.071
141 HA CYS 21 HA CYS 21 27.017 -0.611 2.030
142 HB2 CYS 21 HB2 CYS 21 25.245 -1.076 3.541
143 HB3 CYS 21 HB1 CYS 21 24.639 0.212 2.500
Start of MODEL 18
1 H1 ABA 1 HT1 ABU 1 6.149 -6.042 -3.374
2 H2 ABA 1 HT2 ABU 1 5.009 -5.130 -4.245
3 H3 ABA 1 HT3 ABU 1 4.493 -6.236 -3.063
4 HA ABA 1 HA ABU 1 5.495 -4.933 -1.323
5 HB2 ABA 1 HB2 ABU 1 7.078 -3.384 -1.758
6 HG1 ABA 1 HG1 ABU 1 6.615 -4.212 -4.640
7 HG3 ABA 1 HG3 ABU 1 7.992 -3.258 -4.087
8 HG2 ABA 1 HG2 ABU 1 7.783 -4.915 -3.520
9 H DBU 2 HN DHB 2 4.641 -2.537 -0.774
10 HB DBU 2 HB DHB 2 0.566 -1.763 -0.976
11 HG1 DBU 2 HG1 DHB 2 1.852 -4.542 -0.944
12 HG2 DBU 2 HG2 DHB 2 0.403 -4.188 -1.885
13 HG3 DBU 2 HG3 DHB 2 0.361 -4.080 -0.125
14 HA PRO 3 HA PRO 3 2.425 2.160 -1.297
15 HB2 PRO 3 HB2 PRO 3 2.016 3.008 1.279
16 HB3 PRO 3 HB1 PRO 3 0.705 2.537 0.180
17 HG2 PRO 3 HG2 PRO 3 1.989 0.983 2.369
18 HG3 PRO 3 HG1 PRO 3 0.283 1.071 1.895
19 HD2 PRO 3 HD2 PRO 3 1.893 -1.029 1.212
20 HD3 PRO 3 HD1 PRO 3 0.533 -0.489 0.203
21 H ALA 4 HN ALA 4 4.176 0.394 1.160
22 HA ALA 4 HA ALA 4 6.279 2.465 1.195
23 HB1 ALA 4 HB1 ALA 4 6.398 0.184 3.078
24 HB2 ALA 4 HB2 ALA 4 5.064 1.315 3.313
25 HB3 ALA 4 HB3 ALA 4 6.730 1.894 3.354
26 H CYS 5 HN CYS 5 5.699 0.171 -0.788
27 HA CYS 5 HA CYS 5 7.260 -1.947 -0.828
28 HB2 CYS 5 HB2 CYS 5 6.970 0.170 -2.925
29 HB3 CYS 5 HB1 CYS 5 8.044 -1.199 -3.202
30 H PHE 6 HN PHE 6 8.590 1.317 -1.361
31 HA PHE 6 HA PHE 6 11.278 0.517 -1.553
32 HB2 PHE 6 HB2 PHE 6 10.956 2.707 -2.241
33 HB3 PHE 6 HB1 PHE 6 9.883 3.082 -0.893
34 HD1 PHE 6 HD1 PHE 6 13.112 1.317 -0.474
35 HD2 PHE 6 HD2 PHE 6 11.056 5.077 -0.166
36 HE1 PHE 6 HE1 PHE 6 14.999 2.234 0.843
37 HE2 PHE 6 HE2 PHE 6 12.949 6.003 1.142
38 HZ PHE 6 HZ PHE 6 14.919 4.584 1.648
39 H DBU 7 HN DHB 7 9.416 1.689 1.281
40 HB DBU 7 HB DHB 7 10.456 -0.029 4.769
41 HG1 DBU 7 HG1 DHB 7 9.064 -1.809 4.148
42 HG2 DBU 7 HG2 DHB 7 9.760 -1.736 2.528
43 HG3 DBU 7 HG3 DHB 7 8.327 -0.782 2.916
44 H ILE 8 HN ILE 8 9.869 2.903 4.407
45 HA ILE 8 HA ILE 8 11.999 4.711 3.943
46 HB ILE 8 HB ILE 8 10.025 4.494 6.221
47 HG12 ILE 8 HG12 ILE 8 9.081 4.985 3.979
48 HG13 ILE 8 HG11 ILE 8 8.942 6.376 5.057
49 HG21 ILE 8 HG21 ILE 8 12.313 5.726 6.611
50 HG22 ILE 8 HG22 ILE 8 10.810 6.520 7.080
51 HG23 ILE 8 HG23 ILE 8 11.608 6.965 5.572
52 HD11 ILE 8 HD11 ILE 8 11.479 6.560 3.788
53 HD12 ILE 8 HD12 ILE 8 10.082 7.615 3.568
54 HD13 ILE 8 HD13 ILE 8 10.295 6.206 2.529
55 H GLY 9 HN GLY 9 11.404 2.353 6.535
56 HA2 GLY 9 HA2 GLY 9 13.874 3.000 7.900
57 HA3 GLY 9 HA1 GLY 9 12.757 1.704 8.315
58 H LEU 10 HN LEU 10 13.024 -0.336 7.414
59 HA LEU 10 HA LEU 10 15.643 -1.113 6.747
60 HB2 LEU 10 HB2 LEU 10 14.253 -2.767 7.679
61 HB3 LEU 10 HB1 LEU 10 12.953 -2.446 6.533
62 HG LEU 10 HG LEU 10 14.334 -4.542 6.117
63 HD11 LEU 10 HD11 LEU 10 13.107 -2.785 4.371
64 HD12 LEU 10 HD12 LEU 10 13.671 -4.404 3.956
65 HD13 LEU 10 HD13 LEU 10 14.700 -3.004 3.644
66 HD21 LEU 10 HD21 LEU 10 16.385 -3.089 4.648
67 HD22 LEU 10 HD22 LEU 10 16.568 -4.404 5.808
68 HD23 LEU 10 HD23 LEU 10 16.456 -2.739 6.373
69 H GLY 11 HN GLY 11 12.782 -0.481 4.790
70 HA2 GLY 11 HA2 GLY 11 13.239 -1.352 2.335
71 HA3 GLY 11 HA1 GLY 11 12.753 0.314 2.597
72 H VAL 12 HN VAL 12 15.302 0.945 3.973
73 HA VAL 12 HA VAL 12 16.755 1.962 1.799
74 HB VAL 12 HB VAL 12 16.884 2.749 4.183
75 HG11 VAL 12 HG11 VAL 12 17.084 0.395 5.103
76 HG12 VAL 12 HG12 VAL 12 18.242 1.548 5.767
77 HG13 VAL 12 HG13 VAL 12 18.755 0.392 4.536
78 HG21 VAL 12 HG21 VAL 12 19.661 2.024 3.301
79 HG22 VAL 12 HG22 VAL 12 19.057 3.557 3.931
80 HG23 VAL 12 HG23 VAL 12 18.679 3.073 2.277
81 H GLY 13 HN GLY 13 17.284 -0.957 3.766
82 HA2 GLY 13 HA2 GLY 13 19.644 -1.780 2.436
83 HA3 GLY 13 HA1 GLY 13 18.594 -2.816 3.400
84 H ALA 14 HN ALA 14 16.224 -2.194 1.766
85 HA ALA 14 HA ALA 14 16.405 -4.306 -0.095
86 HB1 ALA 14 HB1 ALA 14 14.402 -2.226 0.601
87 HB2 ALA 14 HB2 ALA 14 14.211 -3.973 0.459
88 HB3 ALA 14 HB3 ALA 14 14.245 -2.969 -0.991
89 H LEU 15 HN LEU 15 16.422 -0.780 -0.559
90 HA LEU 15 HA LEU 15 17.206 -1.199 -3.364
91 HB2 LEU 15 HB2 LEU 15 16.029 0.661 -3.876
92 HB3 LEU 15 HB1 LEU 15 15.305 0.464 -2.283
93 HG LEU 15 HG LEU 15 17.889 1.989 -2.536
94 HD11 LEU 15 HD11 LEU 15 15.113 2.954 -3.239
95 HD12 LEU 15 HD12 LEU 15 16.595 3.128 -4.182
96 HD13 LEU 15 HD13 LEU 15 16.378 4.059 -2.700
97 HD21 LEU 15 HD21 LEU 15 17.440 2.272 -0.342
98 HD22 LEU 15 HD22 LEU 15 15.941 1.366 -0.520
99 HD23 LEU 15 HD23 LEU 15 15.956 3.108 -0.779
100 H PHE 16 HN PHE 16 18.067 0.669 -0.489
101 HA PHE 16 HA PHE 16 20.530 1.633 -1.627
102 HB2 PHE 16 HB2 PHE 16 19.070 2.737 0.208
103 HB3 PHE 16 HB1 PHE 16 19.887 1.634 1.313
104 HD1 PHE 16 HD1 PHE 16 20.814 3.804 -1.605
105 HD2 PHE 16 HD2 PHE 16 21.748 2.516 2.382
106 HE1 PHE 16 HE1 PHE 16 22.778 5.318 -1.580
107 HE2 PHE 16 HE2 PHE 16 23.715 4.028 2.410
108 HZ PHE 16 HZ PHE 16 24.229 5.430 0.429
109 H DAL 17 HN DAL 17 19.532 -1.027 0.419
110 HA DAL 17 HA DAL 17 20.681 -2.834 1.260
111 HB1 DAL 17 HB2 DAL 17 23.307 -1.470 1.120
112 HB2 DAL 17 HB3 DAL 17 22.084 -0.721 2.144
113 H ALA 18 HN ALA 18 20.714 -1.911 -1.733
114 HA ALA 18 HA ALA 18 22.038 -4.241 -2.700
115 HB1 ALA 18 HB1 ALA 18 21.630 -2.189 -4.711
116 HB2 ALA 18 HB2 ALA 18 20.203 -2.387 -3.694
117 HB3 ALA 18 HB3 ALA 18 20.869 -3.773 -4.558
118 H LYS 19 HN LYS 19 22.890 -0.757 -2.818
119 HA LYS 19 HA LYS 19 25.562 -1.555 -3.792
120 HB2 LYS 19 HB2 LYS 19 25.653 1.058 -4.135
121 HB3 LYS 19 HB1 LYS 19 24.819 0.027 -5.297
122 HG2 LYS 19 HG2 LYS 19 23.351 1.171 -2.930
123 HG3 LYS 19 HG1 LYS 19 23.571 2.127 -4.392
124 HD2 LYS 19 HD2 LYS 19 22.709 -0.293 -5.405
125 HD3 LYS 19 HD1 LYS 19 21.783 -0.160 -3.908
126 HE2 LYS 19 HE2 LYS 19 21.966 2.298 -5.569
127 HE3 LYS 19 HE1 LYS 19 20.976 0.985 -6.207
128 HZ1 LYS 19 HZ1 LYS 19 20.250 2.809 -4.286
129 HZ2 LYS 19 HZ2 LYS 19 20.519 1.368 -3.427
130 HZ3 LYS 19 HZ3 LYS 19 19.410 1.400 -4.713
131 H PHE 20 HN PHE 20 23.918 0.433 -1.359
132 HA PHE 20 HA PHE 20 26.420 0.431 0.220
133 HB2 PHE 20 HB2 PHE 20 24.450 2.722 0.128
134 HB3 PHE 20 HB1 PHE 20 26.047 2.701 0.879
135 HD1 PHE 20 HD1 PHE 20 24.204 2.779 -2.306
136 HD2 PHE 20 HD2 PHE 20 28.080 2.864 -0.459
137 HE1 PHE 20 HE1 PHE 20 25.206 3.511 -4.449
138 HE2 PHE 20 HE2 PHE 20 29.085 3.599 -2.606
139 HZ PHE 20 HZ PHE 20 27.648 3.923 -4.601
140 H CYS 21 HN CYS 21 26.136 -0.518 2.155
141 HA CYS 21 HA CYS 21 23.440 -0.405 3.370
142 HB2 CYS 21 HB2 CYS 21 25.098 -2.718 2.714
143 HB3 CYS 21 HB1 CYS 21 24.617 -2.682 4.409
Start of MODEL 19
1 H1 ABA 1 HT1 ABU 1 3.179 -3.328 -4.216
2 H2 ABA 1 HT2 ABU 1 2.408 -2.240 -3.164
3 H3 ABA 1 HT3 ABU 1 2.307 -3.914 -2.885
4 HA ABA 1 HA ABU 1 3.863 -3.053 -1.353
5 HB2 ABA 1 HB2 ABU 1 4.372 -5.119 -2.993
6 HG1 ABA 1 HG1 ABU 1 5.634 -4.248 -4.719
7 HG3 ABA 1 HG3 ABU 1 6.375 -3.012 -3.706
8 HG2 ABA 1 HG2 ABU 1 6.913 -4.679 -3.590
9 H DBU 2 HN DHB 2 3.775 -1.531 -4.385
10 HB DBU 2 HB DHB 2 5.558 1.598 -5.656
11 HG1 DBU 2 HG1 DHB 2 4.744 -0.006 -7.491
12 HG2 DBU 2 HG2 DHB 2 3.434 1.016 -6.898
13 HG3 DBU 2 HG3 DHB 2 3.575 -0.651 -6.338
14 HA PRO 3 HA PRO 3 7.429 2.324 -1.719
15 HB2 PRO 3 HB2 PRO 3 5.783 3.904 -0.236
16 HB3 PRO 3 HB1 PRO 3 6.289 4.314 -1.886
17 HG2 PRO 3 HG2 PRO 3 3.698 3.290 -0.901
18 HG3 PRO 3 HG1 PRO 3 4.052 4.341 -2.281
19 HD2 PRO 3 HD2 PRO 3 3.509 1.580 -2.407
20 HD3 PRO 3 HD1 PRO 3 4.192 2.568 -3.713
21 H ALA 4 HN ALA 4 4.549 0.644 -0.652
22 HA ALA 4 HA ALA 4 5.191 0.541 2.126
23 HB1 ALA 4 HB1 ALA 4 2.913 0.175 1.388
24 HB2 ALA 4 HB2 ALA 4 3.493 -1.296 2.168
25 HB3 ALA 4 HB3 ALA 4 3.411 -1.204 0.410
26 H CYS 5 HN CYS 5 5.996 -1.464 -0.627
27 HA CYS 5 HA CYS 5 7.089 -3.617 0.924
28 HB2 CYS 5 HB2 CYS 5 7.019 -2.922 -1.980
29 HB3 CYS 5 HB1 CYS 5 8.128 -4.164 -1.413
30 H PHE 6 HN PHE 6 8.304 -0.716 -0.653
31 HA PHE 6 HA PHE 6 11.045 -1.281 -0.591
32 HB2 PHE 6 HB2 PHE 6 10.548 0.635 -1.804
33 HB3 PHE 6 HB1 PHE 6 9.418 1.235 -0.591
34 HD1 PHE 6 HD1 PHE 6 12.794 -0.081 0.171
35 HD2 PHE 6 HD2 PHE 6 10.375 3.434 -0.306
36 HE1 PHE 6 HE1 PHE 6 14.586 1.283 1.198
37 HE2 PHE 6 HE2 PHE 6 12.171 4.805 0.713
38 HZ PHE 6 HZ PHE 6 14.277 3.731 1.465
39 H DBU 7 HN DHB 7 9.010 0.365 1.846
40 HB DBU 7 HB DHB 7 10.140 -0.324 5.632
41 HG1 DBU 7 HG1 DHB 7 8.596 -2.151 5.414
42 HG2 DBU 7 HG2 DHB 7 9.864 -2.727 4.330
43 HG3 DBU 7 HG3 DHB 7 8.448 -1.904 3.673
44 H ILE 8 HN ILE 8 9.247 2.271 4.712
45 HA ILE 8 HA ILE 8 11.097 4.215 3.796
46 HB ILE 8 HB ILE 8 9.203 4.216 6.152
47 HG12 ILE 8 HG12 ILE 8 8.160 4.081 3.909
48 HG13 ILE 8 HG11 ILE 8 7.850 5.647 4.663
49 HG21 ILE 8 HG21 ILE 8 11.141 6.253 5.114
50 HG22 ILE 8 HG22 ILE 8 10.676 5.899 6.778
51 HG23 ILE 8 HG23 ILE 8 9.584 6.805 5.731
52 HD11 ILE 8 HD11 ILE 8 8.508 6.183 2.452
53 HD12 ILE 8 HD12 ILE 8 9.803 4.985 2.457
54 HD13 ILE 8 HD13 ILE 8 9.959 6.457 3.417
55 H GLY 9 HN GLY 9 10.860 2.390 6.831
56 HA2 GLY 9 HA2 GLY 9 13.173 3.630 8.000
57 HA3 GLY 9 HA1 GLY 9 12.320 2.221 8.618
58 H LEU 10 HN LEU 10 13.137 0.221 8.262
59 HA LEU 10 HA LEU 10 15.829 -0.074 7.494
60 HB2 LEU 10 HB2 LEU 10 15.580 -2.268 8.103
61 HB3 LEU 10 HB1 LEU 10 14.117 -1.633 8.855
62 HG LEU 10 HG LEU 10 12.977 -2.123 6.583
63 HD11 LEU 10 HD11 LEU 10 14.387 -4.339 5.774
64 HD12 LEU 10 HD12 LEU 10 15.685 -3.223 6.200
65 HD13 LEU 10 HD13 LEU 10 14.480 -2.755 4.999
66 HD21 LEU 10 HD21 LEU 10 13.377 -4.779 7.394
67 HD22 LEU 10 HD22 LEU 10 12.108 -3.688 7.952
68 HD23 LEU 10 HD23 LEU 10 13.619 -3.818 8.854
69 H GLY 11 HN GLY 11 12.826 -0.355 5.705
70 HA2 GLY 11 HA2 GLY 11 13.349 -1.762 3.486
71 HA3 GLY 11 HA1 GLY 11 12.533 -0.206 3.416
72 H VAL 12 HN VAL 12 15.056 1.079 4.481
73 HA VAL 12 HA VAL 12 16.149 1.927 2.013
74 HB VAL 12 HB VAL 12 16.273 3.219 4.149
75 HG11 VAL 12 HG11 VAL 12 16.940 1.025 5.422
76 HG12 VAL 12 HG12 VAL 12 17.621 2.565 5.947
77 HG13 VAL 12 HG13 VAL 12 18.583 1.467 4.955
78 HG21 VAL 12 HG21 VAL 12 18.403 4.168 3.688
79 HG22 VAL 12 HG22 VAL 12 17.890 3.470 2.152
80 HG23 VAL 12 HG23 VAL 12 19.064 2.621 3.158
81 H GLY 13 HN GLY 13 17.219 -0.524 4.360
82 HA2 GLY 13 HA2 GLY 13 19.723 -1.121 3.262
83 HA3 GLY 13 HA1 GLY 13 18.718 -2.256 4.162
84 H ALA 14 HN ALA 14 16.512 -2.456 2.504
85 HA ALA 14 HA ALA 14 17.461 -4.267 0.506
86 HB1 ALA 14 HB1 ALA 14 15.248 -4.395 1.772
87 HB2 ALA 14 HB2 ALA 14 15.178 -4.705 0.037
88 HB3 ALA 14 HB3 ALA 14 14.668 -3.141 0.675
89 H LEU 15 HN LEU 15 16.258 -0.961 0.497
90 HA LEU 15 HA LEU 15 16.304 -0.793 -2.402
91 HB2 LEU 15 HB2 LEU 15 14.589 0.505 -1.466
92 HB3 LEU 15 HB1 LEU 15 15.628 1.116 -0.180
93 HG LEU 15 HG LEU 15 16.839 1.859 -2.632
94 HD11 LEU 15 HD11 LEU 15 13.920 1.802 -2.753
95 HD12 LEU 15 HD12 LEU 15 15.093 2.022 -4.052
96 HD13 LEU 15 HD13 LEU 15 14.593 3.400 -3.069
97 HD21 LEU 15 HD21 LEU 15 17.210 3.476 -1.100
98 HD22 LEU 15 HD22 LEU 15 15.748 3.071 -0.200
99 HD23 LEU 15 HD23 LEU 15 15.653 4.129 -1.608
100 H PHE 16 HN PHE 16 17.806 1.264 0.090
101 HA PHE 16 HA PHE 16 19.898 2.071 -1.718
102 HB2 PHE 16 HB2 PHE 16 19.213 3.715 -0.158
103 HB3 PHE 16 HB1 PHE 16 19.341 2.594 1.197
104 HD1 PHE 16 HD1 PHE 16 21.272 4.559 -1.283
105 HD2 PHE 16 HD2 PHE 16 21.440 2.126 2.252
106 HE1 PHE 16 HE1 PHE 16 23.634 5.236 -0.934
107 HE2 PHE 16 HE2 PHE 16 23.805 2.806 2.606
108 HZ PHE 16 HZ PHE 16 24.900 4.359 1.011
109 H DAL 17 HN DAL 17 19.556 -0.256 0.877
110 HA DAL 17 HA DAL 17 21.022 -1.759 1.804
111 HB1 DAL 17 HB2 DAL 17 23.199 -0.176 0.462
112 HB2 DAL 17 HB3 DAL 17 22.527 0.204 2.037
113 H ALA 18 HN ALA 18 19.936 -1.723 -1.078
114 HA ALA 18 HA ALA 18 20.944 -4.271 -1.823
115 HB1 ALA 18 HB1 ALA 18 19.735 -3.271 -4.094
116 HB2 ALA 18 HB2 ALA 18 18.939 -2.374 -2.802
117 HB3 ALA 18 HB3 ALA 18 18.911 -4.136 -2.796
118 H LYS 19 HN LYS 19 21.550 -0.991 -3.050
119 HA LYS 19 HA LYS 19 23.589 -2.073 -4.870
120 HB2 LYS 19 HB2 LYS 19 23.537 0.171 -5.908
121 HB3 LYS 19 HB1 LYS 19 21.949 -0.596 -5.911
122 HG2 LYS 19 HG2 LYS 19 22.461 0.958 -3.482
123 HG3 LYS 19 HG1 LYS 19 22.495 1.940 -4.947
124 HD2 LYS 19 HD2 LYS 19 20.304 0.773 -5.593
125 HD3 LYS 19 HD1 LYS 19 20.250 0.195 -3.927
126 HE2 LYS 19 HE2 LYS 19 19.031 2.186 -3.785
127 HE3 LYS 19 HE1 LYS 19 20.649 2.712 -3.319
128 HZ1 LYS 19 HZ1 LYS 19 19.209 3.147 -5.843
129 HZ2 LYS 19 HZ2 LYS 19 20.906 3.092 -5.858
130 HZ3 LYS 19 HZ3 LYS 19 20.099 4.248 -4.909
131 H PHE 20 HN PHE 20 23.088 0.022 -2.134
132 HA PHE 20 HA PHE 20 25.965 0.620 -1.988
133 HB2 PHE 20 HB2 PHE 20 23.609 1.912 -0.603
134 HB3 PHE 20 HB1 PHE 20 25.296 2.316 -0.289
135 HD1 PHE 20 HD1 PHE 20 22.529 2.552 -2.676
136 HD2 PHE 20 HD2 PHE 20 26.690 3.384 -2.019
137 HE1 PHE 20 HE1 PHE 20 22.534 4.068 -4.637
138 HE2 PHE 20 HE2 PHE 20 26.696 4.902 -3.979
139 HZ PHE 20 HZ PHE 20 24.618 5.245 -5.288
140 H CYS 21 HN CYS 21 26.488 0.954 0.525
141 HA CYS 21 HA CYS 21 27.110 -0.183 2.441
142 HB2 CYS 21 HB2 CYS 21 25.310 -0.940 3.790
143 HB3 CYS 21 HB1 CYS 21 24.619 0.343 2.799
Start of MODEL 20
1 H1 ABA 1 HT1 ABU 1 5.929 -5.662 -4.057
2 H2 ABA 1 HT2 ABU 1 7.263 -4.658 -3.744
3 H3 ABA 1 HT3 ABU 1 6.592 -4.724 -5.304
4 HA ABA 1 HA ABU 1 4.543 -3.736 -4.500
5 HB2 ABA 1 HB2 ABU 1 5.051 -2.687 -2.054
6 HG1 ABA 1 HG1 ABU 1 4.007 -5.283 -1.557
7 HG3 ABA 1 HG3 ABU 1 3.104 -3.784 -1.778
8 HG2 ABA 1 HG2 ABU 1 3.463 -4.812 -3.167
9 H DBU 2 HN DHB 2 4.611 -1.291 -3.432
10 HB DBU 2 HB DHB 2 6.510 1.740 -5.391
11 HG1 DBU 2 HG1 DHB 2 6.207 0.616 -7.496
12 HG2 DBU 2 HG2 DHB 2 4.568 0.493 -6.858
13 HG3 DBU 2 HG3 DHB 2 5.680 -0.867 -6.701
14 HA PRO 3 HA PRO 3 7.398 2.912 -1.369
15 HB2 PRO 3 HB2 PRO 3 4.603 3.459 -0.490
16 HB3 PRO 3 HB1 PRO 3 5.930 4.594 -0.813
17 HG2 PRO 3 HG2 PRO 3 3.895 4.311 -2.508
18 HG3 PRO 3 HG1 PRO 3 5.548 4.606 -3.076
19 HD2 PRO 3 HD2 PRO 3 3.968 2.066 -3.117
20 HD3 PRO 3 HD1 PRO 3 5.190 2.656 -4.268
21 H ALA 4 HN ALA 4 4.634 0.770 -0.724
22 HA ALA 4 HA ALA 4 5.163 0.475 2.069
23 HB1 ALA 4 HB1 ALA 4 2.975 -0.010 0.797
24 HB2 ALA 4 HB2 ALA 4 3.446 -1.140 2.065
25 HB3 ALA 4 HB3 ALA 4 3.718 -1.551 0.372
26 H CYS 5 HN CYS 5 6.294 -1.104 -0.831
27 HA CYS 5 HA CYS 5 7.477 -3.335 0.577
28 HB2 CYS 5 HB2 CYS 5 7.356 -2.423 -2.264
29 HB3 CYS 5 HB1 CYS 5 8.645 -3.534 -1.789
30 H PHE 6 HN PHE 6 8.500 -0.200 -0.646
31 HA PHE 6 HA PHE 6 11.278 -0.556 -0.543
32 HB2 PHE 6 HB2 PHE 6 10.704 1.457 -1.524
33 HB3 PHE 6 HB1 PHE 6 9.442 1.797 -0.342
34 HD1 PHE 6 HD1 PHE 6 12.836 0.699 0.624
35 HD2 PHE 6 HD2 PHE 6 10.198 4.054 0.176
36 HE1 PHE 6 HE1 PHE 6 14.396 2.089 1.951
37 HE2 PHE 6 HE2 PHE 6 11.764 5.456 1.495
38 HZ PHE 6 HZ PHE 6 13.862 4.476 2.381
39 H DBU 7 HN DHB 7 9.058 0.651 2.010
40 HB DBU 7 HB DHB 7 10.160 -0.430 5.725
41 HG1 DBU 7 HG1 DHB 7 9.482 -2.266 3.427
42 HG2 DBU 7 HG2 DHB 7 8.113 -1.759 4.416
43 HG3 DBU 7 HG3 DHB 7 9.450 -2.645 5.149
44 H ILE 8 HN ILE 8 9.301 2.254 5.156
45 HA ILE 8 HA ILE 8 11.113 4.303 4.418
46 HB ILE 8 HB ILE 8 9.264 4.021 6.789
47 HG12 ILE 8 HG12 ILE 8 8.220 4.164 4.534
48 HG13 ILE 8 HG11 ILE 8 7.882 5.599 5.505
49 HG21 ILE 8 HG21 ILE 8 10.220 5.849 7.684
50 HG22 ILE 8 HG22 ILE 8 9.935 6.736 6.187
51 HG23 ILE 8 HG23 ILE 8 11.435 5.836 6.407
52 HD11 ILE 8 HD11 ILE 8 9.653 5.300 3.115
53 HD12 ILE 8 HD12 ILE 8 10.124 6.465 4.353
54 HD13 ILE 8 HD13 ILE 8 8.563 6.619 3.546
55 H GLY 9 HN GLY 9 11.015 2.147 7.251
56 HA2 GLY 9 HA2 GLY 9 13.380 3.331 8.418
57 HA3 GLY 9 HA1 GLY 9 12.527 1.908 9.002
58 H LEU 10 HN LEU 10 13.250 -0.096 8.463
59 HA LEU 10 HA LEU 10 15.915 -0.414 7.629
60 HB2 LEU 10 HB2 LEU 10 15.643 -2.630 8.110
61 HB3 LEU 10 HB1 LEU 10 14.229 -2.005 8.949
62 HG LEU 10 HG LEU 10 13.519 -3.907 7.672
63 HD11 LEU 10 HD11 LEU 10 11.649 -2.816 7.112
64 HD12 LEU 10 HD12 LEU 10 12.435 -2.174 5.669
65 HD13 LEU 10 HD13 LEU 10 12.524 -1.288 7.192
66 HD21 LEU 10 HD21 LEU 10 14.132 -2.884 4.994
67 HD22 LEU 10 HD22 LEU 10 14.369 -4.498 5.663
68 HD23 LEU 10 HD23 LEU 10 15.575 -3.242 5.942
69 H GLY 11 HN GLY 11 12.958 -0.240 5.855
70 HA2 GLY 11 HA2 GLY 11 13.423 -1.568 3.523
71 HA3 GLY 11 HA1 GLY 11 12.605 -0.015 3.607
72 H VAL 12 HN VAL 12 15.112 1.224 4.723
73 HA VAL 12 HA VAL 12 16.169 2.205 2.300
74 HB VAL 12 HB VAL 12 16.278 3.366 4.531
75 HG11 VAL 12 HG11 VAL 12 17.818 2.691 6.182
76 HG12 VAL 12 HG12 VAL 12 18.707 1.656 5.060
77 HG13 VAL 12 HG13 VAL 12 17.112 1.168 5.640
78 HG21 VAL 12 HG21 VAL 12 17.630 4.268 2.776
79 HG22 VAL 12 HG22 VAL 12 18.785 2.939 2.889
80 HG23 VAL 12 HG23 VAL 12 18.693 4.139 4.177
81 H GLY 13 HN GLY 13 17.275 -0.293 4.548
82 HA2 GLY 13 HA2 GLY 13 19.759 -0.819 3.313
83 HA3 GLY 13 HA1 GLY 13 18.885 -1.924 4.364
84 H ALA 14 HN ALA 14 16.594 -2.436 2.977
85 HA ALA 14 HA ALA 14 17.507 -4.263 0.986
86 HB1 ALA 14 HB1 ALA 14 14.631 -3.511 1.079
87 HB2 ALA 14 HB2 ALA 14 15.320 -4.213 2.543
88 HB3 ALA 14 HB3 ALA 14 15.378 -5.108 1.024
89 H LEU 15 HN LEU 15 15.858 -1.158 0.921
90 HA LEU 15 HA LEU 15 15.429 -1.066 -1.886
91 HB2 LEU 15 HB2 LEU 15 14.349 0.285 0.055
92 HB3 LEU 15 HB1 LEU 15 15.728 1.360 -0.144
93 HG LEU 15 HG LEU 15 14.068 2.273 -1.545
94 HD11 LEU 15 HD11 LEU 15 16.275 1.964 -2.650
95 HD12 LEU 15 HD12 LEU 15 14.938 1.953 -3.802
96 HD13 LEU 15 HD13 LEU 15 15.697 0.437 -3.316
97 HD21 LEU 15 HD21 LEU 15 12.969 -0.258 -1.485
98 HD22 LEU 15 HD22 LEU 15 13.484 -0.111 -3.166
99 HD23 LEU 15 HD23 LEU 15 12.376 1.075 -2.476
100 H PHE 16 HN PHE 16 17.591 1.000 0.051
101 HA PHE 16 HA PHE 16 19.285 1.347 -2.319
102 HB2 PHE 16 HB2 PHE 16 19.833 2.764 0.245
103 HB3 PHE 16 HB1 PHE 16 19.981 3.344 -1.414
104 HD1 PHE 16 HD1 PHE 16 17.657 2.677 1.365
105 HD2 PHE 16 HD2 PHE 16 18.066 4.257 -2.606
106 HE1 PHE 16 HE1 PHE 16 15.409 3.711 1.546
107 HE2 PHE 16 HE2 PHE 16 15.817 5.290 -2.428
108 HZ PHE 16 HZ PHE 16 14.488 5.017 -0.351
109 H DAL 17 HN DAL 17 19.328 -0.058 0.888
110 HA DAL 17 HA DAL 17 20.896 -1.320 1.990
111 HB1 DAL 17 HB2 DAL 17 22.866 0.234 0.310
112 HB2 DAL 17 HB3 DAL 17 22.224 0.759 1.858
113 H ALA 18 HN ALA 18 19.663 -2.145 -0.537
114 HA ALA 18 HA ALA 18 21.102 -4.567 -0.936
115 HB1 ALA 18 HB1 ALA 18 18.650 -4.374 -1.150
116 HB2 ALA 18 HB2 ALA 18 19.389 -5.067 -2.594
117 HB3 ALA 18 HB3 ALA 18 18.868 -3.382 -2.592
118 H LYS 19 HN LYS 19 20.850 -1.580 -2.835
119 HA LYS 19 HA LYS 19 22.659 -2.726 -4.861
120 HB2 LYS 19 HB2 LYS 19 21.943 -0.180 -5.714
121 HB3 LYS 19 HB1 LYS 19 21.218 -1.694 -6.253
122 HG2 LYS 19 HG2 LYS 19 19.640 -1.518 -4.267
123 HG3 LYS 19 HG1 LYS 19 20.253 0.112 -4.018
124 HD2 LYS 19 HD2 LYS 19 18.263 0.324 -5.338
125 HD3 LYS 19 HD1 LYS 19 19.621 0.598 -6.432
126 HE2 LYS 19 HE2 LYS 19 19.464 -1.628 -7.320
127 HE3 LYS 19 HE1 LYS 19 18.310 -2.107 -6.074
128 HZ1 LYS 19 HZ1 LYS 19 17.674 0.159 -7.835
129 HZ2 LYS 19 HZ2 LYS 19 16.625 -0.917 -7.043
130 HZ3 LYS 19 HZ3 LYS 19 17.480 -1.420 -8.421
131 H PHE 20 HN PHE 20 22.508 -0.682 -2.206
132 HA PHE 20 HA PHE 20 25.201 0.387 -2.763
133 HB2 PHE 20 HB2 PHE 20 23.039 1.810 -1.192
134 HB3 PHE 20 HB1 PHE 20 24.612 2.449 -1.674
135 HD1 PHE 20 HD1 PHE 20 21.644 0.793 -3.232
136 HD2 PHE 20 HD2 PHE 20 24.672 3.814 -3.566
137 HE1 PHE 20 HE1 PHE 20 20.664 1.527 -5.383
138 HE2 PHE 20 HE2 PHE 20 23.695 4.557 -5.724
139 HZ PHE 20 HZ PHE 20 21.690 3.412 -6.634
140 H CYS 21 HN CYS 21 26.078 1.218 -0.538
141 HA CYS 21 HA CYS 21 26.996 0.546 1.466
142 HB2 CYS 21 HB2 CYS 21 25.453 0.230 3.214
143 HB3 CYS 21 HB1 CYS 21 24.555 1.192 2.042