Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
623310 | 5u9q RC | 30211 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -1.767 -17.334 -2.008
2 H2 GLY 1 2HT GLY 1 -1.158 -16.268 -3.181
3 H3 GLY 1 3HT GLY 1 -2.094 -17.605 -3.650
4 HA2 GLY 1 2HA GLY 1 -4.041 -16.614 -3.178
5 HA3 GLY 1 1HA GLY 1 -3.361 -15.784 -1.777
6 H VAL 2 H VAL 2 -4.637 -15.247 -4.737
7 HA VAL 2 HA VAL 2 -2.870 -13.295 -5.836
8 HB VAL 2 HB VAL 2 -5.845 -13.659 -6.263
9 HG11 VAL 2 1HG1 VAL 2 -5.221 -12.562 -8.488
10 HG12 VAL 2 2HG1 VAL 2 -3.694 -12.117 -7.728
11 HG13 VAL 2 3HG1 VAL 2 -5.215 -11.504 -7.077
12 HG21 VAL 2 1HG2 VAL 2 -5.243 -15.050 -8.133
13 HG22 VAL 2 2HG2 VAL 2 -4.349 -15.658 -6.740
14 HG23 VAL 2 3HG2 VAL 2 -3.533 -14.662 -7.945
15 H VAL 3 H VAL 3 -5.665 -13.153 -3.675
16 HA VAL 3 HA VAL 3 -6.056 -10.385 -3.623
17 HB VAL 3 HB VAL 3 -7.569 -12.069 -2.582
18 HG11 VAL 3 1HG1 VAL 3 -7.023 -13.073 -0.479
19 HG12 VAL 3 2HG1 VAL 3 -5.583 -12.070 -0.297
20 HG13 VAL 3 3HG1 VAL 3 -5.625 -13.339 -1.521
21 HG21 VAL 3 1HG2 VAL 3 -8.204 -10.664 -0.713
22 HG22 VAL 3 2HG2 VAL 3 -7.598 -9.614 -1.993
23 HG23 VAL 3 3HG2 VAL 3 -6.577 -9.992 -0.606
24 H ASP 4 H ASP 4 -3.832 -12.422 -1.764
25 HA ASP 4 HA ASP 4 -2.876 -10.568 0.065
26 HB2 ASP 4 2HB ASP 4 -2.231 -12.910 0.158
27 HB3 ASP 4 1HB ASP 4 -1.365 -12.762 -1.370
28 H ILE 5 H ILE 5 -2.096 -10.958 -3.341
29 HA ILE 5 HA ILE 5 0.112 -9.168 -3.351
30 HB ILE 5 HB ILE 5 -1.582 -9.792 -5.724
31 HG12 ILE 5 2HG1 ILE 5 0.550 -11.536 -4.452
32 HG13 ILE 5 1HG1 ILE 5 -1.175 -11.916 -4.553
33 HG21 ILE 5 1HG2 ILE 5 1.416 -9.516 -5.472
34 HG22 ILE 5 2HG2 ILE 5 0.358 -8.145 -5.803
35 HG23 ILE 5 3HG2 ILE 5 0.452 -9.484 -6.947
36 HD11 ILE 5 1HD1 ILE 5 -0.936 -11.685 -7.086
37 HD12 ILE 5 2HD1 ILE 5 -0.149 -13.088 -6.363
38 HD13 ILE 5 3HD1 ILE 5 0.808 -11.682 -6.824
39 H LEU 6 H LEU 6 -3.171 -8.864 -4.555
40 HA LEU 6 HA LEU 6 -3.090 -6.154 -5.237
41 HB2 LEU 6 2HB LEU 6 -5.153 -8.205 -4.797
42 HB3 LEU 6 1HB LEU 6 -5.708 -6.564 -4.451
43 HG LEU 6 HG LEU 6 -4.181 -7.132 -6.988
44 HD11 LEU 6 1HD1 LEU 6 -6.021 -8.777 -6.911
45 HD12 LEU 6 2HD1 LEU 6 -6.328 -7.539 -8.130
46 HD13 LEU 6 3HD1 LEU 6 -7.168 -7.478 -6.580
47 HD21 LEU 6 1HD2 LEU 6 -6.364 -5.155 -6.247
48 HD22 LEU 6 2HD2 LEU 6 -5.492 -5.203 -7.779
49 HD23 LEU 6 3HD2 LEU 6 -4.639 -4.791 -6.291
50 H LYS 7 H LYS 7 -3.704 -7.747 -2.156
51 HA LYS 7 HA LYS 7 -4.587 -5.440 -0.753
52 HB2 LYS 7 2HB LYS 7 -4.735 -7.984 -0.147
53 HB3 LYS 7 1HB LYS 7 -3.173 -7.687 0.613
54 HG2 LYS 7 2HG LYS 7 -4.580 -7.140 2.370
55 HG3 LYS 7 1HG LYS 7 -4.432 -5.565 1.606
56 HD2 LYS 7 2HD LYS 7 -6.533 -5.874 0.433
57 HD3 LYS 7 1HD LYS 7 -6.654 -7.538 1.003
58 HE2 LYS 7 2HE LYS 7 -7.060 -6.870 3.232
59 HE3 LYS 7 1HE LYS 7 -6.462 -5.236 2.944
60 HZ1 LYS 7 1HZ LYS 7 -8.389 -4.597 1.978
61 HZ2 LYS 7 2HZ LYS 7 -9.026 -5.810 2.983
62 HZ3 LYS 7 3HZ LYS 7 -8.728 -6.132 1.341
63 H GLY 8 H GLY 8 -1.459 -6.708 -1.604
64 HA2 GLY 8 2HA GLY 8 -0.029 -5.015 0.284
65 HA3 GLY 8 1HA GLY 8 0.687 -6.114 -0.889
66 H ALA 9 H ALA 9 -0.292 -5.300 -3.266
67 HA ALA 9 HA ALA 9 1.295 -3.146 -3.996
68 HB1 ALA 9 1HB ALA 9 0.141 -3.159 -6.096
69 HB2 ALA 9 2HB ALA 9 -1.285 -3.906 -5.375
70 HB3 ALA 9 3HB ALA 9 0.209 -4.830 -5.534
71 H ALA 10 H ALA 10 -2.104 -3.178 -3.006
72 HA ALA 10 HA ALA 10 -2.596 -0.431 -3.539
73 HB1 ALA 10 1HB ALA 10 -4.478 -1.896 -3.345
74 HB2 ALA 10 2HB ALA 10 -4.553 -0.786 -1.977
75 HB3 ALA 10 3HB ALA 10 -3.970 -2.434 -1.743
76 H LYS 11 H LYS 11 -2.004 -2.167 -0.477
77 HA LYS 11 HA LYS 11 -1.827 0.170 1.094
78 HB2 LYS 11 2HB LYS 11 -2.332 -1.926 2.153
79 HB3 LYS 11 1HB LYS 11 -0.819 -2.610 1.577
80 HG2 LYS 11 2HG LYS 11 0.485 -1.206 2.996
81 HG3 LYS 11 1HG LYS 11 -0.901 -0.177 3.359
82 HD2 LYS 11 2HD LYS 11 -1.932 -1.849 4.694
83 HD3 LYS 11 1HD LYS 11 -0.869 -3.111 4.072
84 HE2 LYS 11 2HE LYS 11 -0.384 -2.094 6.437
85 HE3 LYS 11 1HE LYS 11 0.962 -2.375 5.332
86 HZ1 LYS 11 1HZ LYS 11 1.116 -0.143 4.817
87 HZ2 LYS 11 2HZ LYS 11 0.753 -0.102 6.476
88 HZ3 LYS 11 3HZ LYS 11 -0.463 0.205 5.330
89 H ASP 12 H ASP 12 0.416 -1.465 -0.928
90 HA ASP 12 HA ASP 12 2.853 -0.645 0.174
91 HB2 ASP 12 2HB ASP 12 2.723 -2.242 -1.681
92 HB3 ASP 12 1HB ASP 12 2.103 -0.978 -2.742
93 H ILE 13 H ILE 13 0.377 1.095 -1.505
94 HA ILE 13 HA ILE 13 2.046 3.378 -2.151
95 HB ILE 13 HB ILE 13 -0.972 3.284 -2.129
96 HG12 ILE 13 2HG1 ILE 13 0.959 2.373 -4.290
97 HG13 ILE 13 1HG1 ILE 13 -0.158 1.339 -3.388
98 HG21 ILE 13 1HG2 ILE 13 0.937 4.775 -3.943
99 HG22 ILE 13 2HG2 ILE 13 0.323 5.462 -2.439
100 HG23 ILE 13 3HG2 ILE 13 -0.793 5.046 -3.738
101 HD11 ILE 13 1HD1 ILE 13 -0.828 3.510 -5.385
102 HD12 ILE 13 2HD1 ILE 13 -2.027 2.861 -4.266
103 HD13 ILE 13 3HD1 ILE 13 -1.260 1.801 -5.449
104 H ALA 14 H ALA 14 -0.546 2.654 0.181
105 HA ALA 14 HA ALA 14 -0.727 5.115 1.444
106 HB1 ALA 14 1HB ALA 14 -1.745 3.983 3.259
107 HB2 ALA 14 2HB ALA 14 -0.845 2.500 2.939
108 HB3 ALA 14 3HB ALA 14 -2.126 3.009 1.839
109 H GLY 15 H GLY 15 1.796 2.760 1.575
110 HA2 GLY 15 2HA GLY 15 3.013 3.483 4.023
111 HA3 GLY 15 1HA GLY 15 3.818 2.691 2.673
112 H HIS 16 H HIS 16 3.528 4.627 0.692
113 HA HIS 16 HA HIS 16 5.646 6.412 1.384
114 HB2 HIS 16 2HB HIS 16 5.860 6.473 -0.849
115 HB3 HIS 16 1HB HIS 16 4.408 5.489 -0.990
116 HD2 HIS 16 2HD HIS 16 2.043 6.944 -1.645
117 HE1 HIS 16 1HE HIS 16 3.970 10.658 -2.204
118 HE2 HIS 16 2HE HIS 16 1.787 9.396 -2.505
119 H LEU 17 H LEU 17 2.146 6.761 1.019
120 HA LEU 17 HA LEU 17 2.054 9.570 1.248
121 HB2 LEU 17 2HB LEU 17 0.120 7.317 1.484
122 HB3 LEU 17 1HB LEU 17 -0.359 8.861 2.182
123 HG LEU 17 HG LEU 17 0.810 9.031 -0.543
124 HD11 LEU 17 1HD1 LEU 17 -1.351 8.323 -1.594
125 HD12 LEU 17 2HD1 LEU 17 -1.864 7.701 -0.025
126 HD13 LEU 17 3HD1 LEU 17 -0.472 6.991 -0.843
127 HD21 LEU 17 1HD2 LEU 17 -1.761 10.114 0.658
128 HD22 LEU 17 2HD2 LEU 17 -0.984 10.660 -0.829
129 HD23 LEU 17 3HD2 LEU 17 -0.207 10.945 0.727
130 H ALA 18 H ALA 18 2.170 6.989 3.560
131 HA ALA 18 HA ALA 18 1.465 8.470 5.870
132 HB1 ALA 18 1HB ALA 18 2.662 6.596 7.079
133 HB2 ALA 18 2HB ALA 18 3.058 5.931 5.495
134 HB3 ALA 18 3HB ALA 18 1.372 6.080 5.993
135 H SER 19 H SER 19 4.420 7.947 4.114
136 HA SER 19 HA SER 19 6.211 8.919 6.062
137 HB2 SER 19 2HB SER 19 6.319 8.171 3.235
138 HB3 SER 19 1HB SER 19 7.431 9.471 3.651
139 HG SER 19 HG SER 19 7.243 6.858 4.701
140 H LYS 20 H LYS 20 4.412 10.503 3.454
141 HA LYS 20 HA LYS 20 5.612 13.003 3.532
142 HB2 LYS 20 2HB LYS 20 3.515 11.715 2.212
143 HB3 LYS 20 1HB LYS 20 2.767 13.061 3.023
144 HG2 LYS 20 2HG LYS 20 4.584 14.532 2.083
145 HG3 LYS 20 1HG LYS 20 5.052 13.131 1.134
146 HD2 LYS 20 2HD LYS 20 2.926 13.062 0.009
147 HD3 LYS 20 1HD LYS 20 2.268 14.293 1.088
148 HE2 LYS 20 2HE LYS 20 3.631 15.998 0.150
149 HE3 LYS 20 1HE LYS 20 4.677 14.829 -0.655
150 HZ1 LYS 20 1HZ LYS 20 1.798 15.190 -1.278
151 HZ2 LYS 20 2HZ LYS 20 2.918 14.232 -2.125
152 HZ3 LYS 20 3HZ LYS 20 3.056 15.925 -2.147
153 H VAL 21 H VAL 21 2.701 11.831 5.237
154 HA VAL 21 HA VAL 21 2.389 14.256 6.725
155 HB VAL 21 HB VAL 21 0.451 12.874 6.217
156 HG11 VAL 21 1HG1 VAL 21 1.802 10.711 6.326
157 HG12 VAL 21 2HG1 VAL 21 0.193 10.645 7.044
158 HG13 VAL 21 3HG1 VAL 21 1.615 10.791 8.077
159 HG21 VAL 21 1HG2 VAL 21 1.005 12.706 9.192
160 HG22 VAL 21 2HG2 VAL 21 -0.562 12.880 8.399
161 HG23 VAL 21 3HG2 VAL 21 0.591 14.214 8.374
162 H MET 22 H MET 22 4.310 11.452 7.069
163 HA MET 22 HA MET 22 4.735 11.940 9.947
164 HB2 MET 22 2HB MET 22 4.231 9.609 9.139
165 HB3 MET 22 1HB MET 22 5.767 9.643 8.272
166 HG2 MET 22 2HG MET 22 6.999 9.948 10.332
167 HG3 MET 22 1HG MET 22 5.505 10.148 11.249
168 HE1 MET 22 1HE MET 22 6.082 8.599 12.916
169 HE2 MET 22 2HE MET 22 7.608 7.976 12.296
170 HE3 MET 22 3HE MET 22 6.338 6.854 12.775
171 HN1 NH2 23 HN1 NH2 23 7.026 10.785 7.428
172 HN2 NH2 23 HN2 NH2 23 8.225 11.945 7.785
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -3.677 -15.478 -1.520
2 H2 GLY 1 2HT GLY 1 -3.554 -16.852 -0.528
3 H3 GLY 1 3HT GLY 1 -2.634 -16.744 -1.952
4 HA2 GLY 1 2HA GLY 1 -2.336 -15.062 0.477
5 HA3 GLY 1 1HA GLY 1 -1.217 -16.307 -0.081
6 H VAL 2 H VAL 2 -0.986 -15.904 -2.722
7 HA VAL 2 HA VAL 2 0.712 -13.643 -2.910
8 HB VAL 2 HB VAL 2 1.073 -15.615 -4.294
9 HG11 VAL 2 1HG1 VAL 2 -1.358 -16.180 -4.536
10 HG12 VAL 2 2HG1 VAL 2 -0.477 -16.234 -6.062
11 HG13 VAL 2 3HG1 VAL 2 -1.510 -14.854 -5.689
12 HG21 VAL 2 1HG2 VAL 2 1.655 -13.247 -5.104
13 HG22 VAL 2 2HG2 VAL 2 0.228 -13.366 -6.134
14 HG23 VAL 2 3HG2 VAL 2 1.564 -14.498 -6.344
15 H VAL 3 H VAL 3 -2.643 -14.215 -3.802
16 HA VAL 3 HA VAL 3 -3.041 -11.918 -5.389
17 HB VAL 3 HB VAL 3 -4.627 -13.817 -5.286
18 HG11 VAL 3 1HG1 VAL 3 -5.452 -12.676 -2.604
19 HG12 VAL 3 2HG1 VAL 3 -4.393 -14.077 -2.769
20 HG13 VAL 3 3HG1 VAL 3 -6.048 -14.146 -3.375
21 HG21 VAL 3 1HG2 VAL 3 -5.946 -11.251 -4.359
22 HG22 VAL 3 2HG2 VAL 3 -6.624 -12.483 -5.425
23 HG23 VAL 3 3HG2 VAL 3 -5.297 -11.465 -5.985
24 H ASP 4 H ASP 4 -2.936 -12.409 -1.933
25 HA ASP 4 HA ASP 4 -4.274 -10.161 -0.995
26 HB2 ASP 4 2HB ASP 4 -3.351 -11.958 0.444
27 HB3 ASP 4 1HB ASP 4 -1.727 -11.349 0.128
28 H ILE 5 H ILE 5 -0.938 -10.467 -2.150
29 HA ILE 5 HA ILE 5 -0.132 -7.833 -1.552
30 HB ILE 5 HB ILE 5 0.910 -9.519 -3.790
31 HG12 ILE 5 2HG1 ILE 5 1.980 -9.538 -0.968
32 HG13 ILE 5 1HG1 ILE 5 0.718 -10.672 -1.472
33 HG21 ILE 5 1HG2 ILE 5 1.697 -7.177 -3.681
34 HG22 ILE 5 2HG2 ILE 5 3.000 -8.313 -3.333
35 HG23 ILE 5 3HG2 ILE 5 2.214 -7.441 -2.016
36 HD11 ILE 5 1HD1 ILE 5 2.167 -11.460 -3.312
37 HD12 ILE 5 2HD1 ILE 5 2.942 -11.685 -1.743
38 HD13 ILE 5 3HD1 ILE 5 3.432 -10.349 -2.786
39 H LEU 6 H LEU 6 -1.463 -9.304 -4.427
40 HA LEU 6 HA LEU 6 -1.324 -7.086 -6.142
41 HB2 LEU 6 2HB LEU 6 -2.712 -9.681 -6.074
42 HB3 LEU 6 1HB LEU 6 -3.593 -8.432 -6.961
43 HG LEU 6 HG LEU 6 -0.645 -8.854 -7.447
44 HD11 LEU 6 1HD1 LEU 6 -1.498 -11.052 -7.810
45 HD12 LEU 6 2HD1 LEU 6 -1.421 -10.306 -9.406
46 HD13 LEU 6 3HD1 LEU 6 -2.967 -10.436 -8.567
47 HD21 LEU 6 1HD2 LEU 6 -2.051 -6.862 -8.316
48 HD22 LEU 6 2HD2 LEU 6 -2.824 -8.038 -9.379
49 HD23 LEU 6 3HD2 LEU 6 -1.089 -7.746 -9.501
50 H LYS 7 H LYS 7 -4.039 -8.240 -4.134
51 HA LYS 7 HA LYS 7 -5.683 -5.981 -4.706
52 HB2 LYS 7 2HB LYS 7 -6.292 -8.390 -3.848
53 HB3 LYS 7 1HB LYS 7 -6.067 -7.652 -2.263
54 HG2 LYS 7 2HG LYS 7 -8.311 -7.183 -2.633
55 HG3 LYS 7 1HG LYS 7 -7.575 -5.729 -3.289
56 HD2 LYS 7 2HD LYS 7 -7.719 -6.614 -5.548
57 HD3 LYS 7 1HD LYS 7 -8.294 -8.167 -4.943
58 HE2 LYS 7 2HE LYS 7 -9.773 -5.596 -4.374
59 HE3 LYS 7 1HE LYS 7 -10.076 -6.540 -5.833
60 HZ1 LYS 7 1HZ LYS 7 -10.853 -8.329 -4.617
61 HZ2 LYS 7 2HZ LYS 7 -11.482 -7.004 -3.759
62 HZ3 LYS 7 3HZ LYS 7 -10.111 -7.822 -3.178
63 H GLY 8 H GLY 8 -3.204 -6.678 -2.382
64 HA2 GLY 8 2HA GLY 8 -3.952 -4.524 -0.582
65 HA3 GLY 8 1HA GLY 8 -2.530 -5.554 -0.452
66 H ALA 9 H ALA 9 -2.513 -4.641 -3.567
67 HA ALA 9 HA ALA 9 -0.283 -2.956 -3.366
68 HB1 ALA 9 1HB ALA 9 -1.047 -4.260 -5.402
69 HB2 ALA 9 2HB ALA 9 -0.507 -2.611 -5.719
70 HB3 ALA 9 3HB ALA 9 -2.231 -2.981 -5.675
71 H ALA 10 H ALA 10 -3.700 -2.260 -3.274
72 HA ALA 10 HA ALA 10 -3.616 0.492 -3.887
73 HB1 ALA 10 1HB ALA 10 -5.548 -0.779 -1.950
74 HB2 ALA 10 2HB ALA 10 -5.669 -1.018 -3.693
75 HB3 ALA 10 3HB ALA 10 -5.819 0.602 -3.013
76 H LYS 11 H LYS 11 -3.713 -1.135 -0.709
77 HA LYS 11 HA LYS 11 -3.306 1.230 0.778
78 HB2 LYS 11 2HB LYS 11 -4.195 -1.095 1.541
79 HB3 LYS 11 1HB LYS 11 -2.492 -1.449 1.795
80 HG2 LYS 11 2HG LYS 11 -2.318 0.618 3.200
81 HG3 LYS 11 1HG LYS 11 -4.064 0.815 3.042
82 HD2 LYS 11 2HD LYS 11 -4.450 -1.336 4.119
83 HD3 LYS 11 1HD LYS 11 -2.715 -1.649 4.181
84 HE2 LYS 11 2HE LYS 11 -2.352 0.102 5.756
85 HE3 LYS 11 1HE LYS 11 -3.959 0.777 5.485
86 HZ1 LYS 11 1HZ LYS 11 -4.053 -1.964 6.281
87 HZ2 LYS 11 2HZ LYS 11 -4.848 -0.617 6.946
88 HZ3 LYS 11 3HZ LYS 11 -3.267 -1.001 7.435
89 H ASP 12 H ASP 12 -1.174 -0.884 -0.885
90 HA ASP 12 HA ASP 12 1.229 -0.446 0.477
91 HB2 ASP 12 2HB ASP 12 0.782 -2.026 -1.488
92 HB3 ASP 12 1HB ASP 12 1.006 -0.621 -2.529
93 H ILE 13 H ILE 13 -0.681 1.614 -1.547
94 HA ILE 13 HA ILE 13 1.430 3.532 -2.061
95 HB ILE 13 HB ILE 13 -1.569 3.744 -2.428
96 HG12 ILE 13 2HG1 ILE 13 0.590 3.259 -4.500
97 HG13 ILE 13 1HG1 ILE 13 -0.328 1.949 -3.742
98 HG21 ILE 13 1HG2 ILE 13 -0.836 5.574 -4.045
99 HG22 ILE 13 2HG2 ILE 13 0.754 5.483 -3.287
100 HG23 ILE 13 3HG2 ILE 13 -0.651 5.955 -2.333
101 HD11 ILE 13 1HD1 ILE 13 -1.398 2.553 -5.848
102 HD12 ILE 13 2HD1 ILE 13 -1.466 4.247 -5.364
103 HD13 ILE 13 3HD1 ILE 13 -2.438 3.047 -4.513
104 H ALA 14 H ALA 14 -1.277 3.178 0.177
105 HA ALA 14 HA ALA 14 -1.219 5.751 1.304
106 HB1 ALA 14 1HB ALA 14 -2.064 3.081 2.429
107 HB2 ALA 14 2HB ALA 14 -3.096 4.352 1.773
108 HB3 ALA 14 3HB ALA 14 -2.262 4.597 3.307
109 H GLY 15 H GLY 15 0.851 3.015 1.695
110 HA2 GLY 15 2HA GLY 15 1.995 3.701 4.214
111 HA3 GLY 15 1HA GLY 15 2.701 2.619 3.016
112 H HIS 16 H HIS 16 2.971 4.308 0.847
113 HA HIS 16 HA HIS 16 5.386 5.633 1.402
114 HB2 HIS 16 2HB HIS 16 5.032 4.924 -0.820
115 HB3 HIS 16 1HB HIS 16 3.487 5.755 -0.907
116 HD2 HIS 16 2HD HIS 16 4.411 7.431 -3.044
117 HE1 HIS 16 1HE HIS 16 7.274 9.483 -0.716
118 HE2 HIS 16 2HE HIS 16 6.057 9.456 -2.945
119 H LEU 17 H LEU 17 2.079 6.848 1.035
120 HA LEU 17 HA LEU 17 2.670 9.587 1.228
121 HB2 LEU 17 2HB LEU 17 0.266 7.865 1.529
122 HB3 LEU 17 1HB LEU 17 0.176 9.467 2.255
123 HG LEU 17 HG LEU 17 1.281 9.396 -0.506
124 HD11 LEU 17 1HD1 LEU 17 -1.066 9.279 -1.451
125 HD12 LEU 17 2HD1 LEU 17 -1.591 8.667 0.118
126 HD13 LEU 17 3HD1 LEU 17 -0.434 7.748 -0.845
127 HD21 LEU 17 1HD2 LEU 17 0.717 11.449 0.919
128 HD22 LEU 17 2HD2 LEU 17 -0.980 11.039 0.667
129 HD23 LEU 17 3HD2 LEU 17 0.045 11.439 -0.712
130 H ALA 18 H ALA 18 2.282 7.099 3.603
131 HA ALA 18 HA ALA 18 1.973 8.738 5.891
132 HB1 ALA 18 1HB ALA 18 1.537 6.227 5.713
133 HB2 ALA 18 2HB ALA 18 2.373 6.772 7.167
134 HB3 ALA 18 3HB ALA 18 3.283 6.021 5.856
135 H SER 19 H SER 19 4.695 7.582 4.067
136 HA SER 19 HA SER 19 6.746 8.125 5.894
137 HB2 SER 19 2HB SER 19 6.925 6.847 3.705
138 HB3 SER 19 1HB SER 19 6.982 8.412 2.899
139 HG SER 19 HG SER 19 9.068 7.945 3.306
140 H LYS 20 H LYS 20 5.048 10.199 3.599
141 HA LYS 20 HA LYS 20 6.721 12.414 3.638
142 HB2 LYS 20 2HB LYS 20 4.269 11.639 2.538
143 HB3 LYS 20 1HB LYS 20 3.905 13.049 3.490
144 HG2 LYS 20 2HG LYS 20 5.892 14.173 2.381
145 HG3 LYS 20 1HG LYS 20 5.885 12.789 1.299
146 HD2 LYS 20 2HD LYS 20 3.429 13.303 0.848
147 HD3 LYS 20 1HD LYS 20 3.709 14.841 1.665
148 HE2 LYS 20 2HE LYS 20 5.630 15.223 0.048
149 HE3 LYS 20 1HE LYS 20 5.049 13.821 -0.850
150 HZ1 LYS 20 1HZ LYS 20 3.689 16.401 -0.385
151 HZ2 LYS 20 2HZ LYS 20 2.816 15.011 -0.825
152 HZ3 LYS 20 3HZ LYS 20 4.016 15.628 -1.858
153 H VAL 21 H VAL 21 3.846 11.703 5.635
154 HA VAL 21 HA VAL 21 4.281 14.020 7.289
155 HB VAL 21 HB VAL 21 2.004 13.262 6.841
156 HG11 VAL 21 1HG1 VAL 21 2.715 10.788 8.439
157 HG12 VAL 21 2HG1 VAL 21 2.658 10.823 6.677
158 HG13 VAL 21 3HG1 VAL 21 1.194 11.127 7.612
159 HG21 VAL 21 1HG2 VAL 21 2.657 14.332 9.060
160 HG22 VAL 21 2HG2 VAL 21 2.670 12.706 9.744
161 HG23 VAL 21 3HG2 VAL 21 1.174 13.377 9.093
162 H MET 22 H MET 22 5.263 10.729 7.282
163 HA MET 22 HA MET 22 5.975 10.772 10.131
164 HB2 MET 22 2HB MET 22 4.886 8.757 9.028
165 HB3 MET 22 1HB MET 22 6.408 8.519 8.168
166 HG2 MET 22 2HG MET 22 6.549 7.157 10.127
167 HG3 MET 22 1HG MET 22 7.552 8.571 10.449
168 HE1 MET 22 1HE MET 22 5.760 6.391 12.620
169 HE2 MET 22 2HE MET 22 6.029 7.609 13.863
170 HE3 MET 22 3HE MET 22 7.291 7.276 12.679
171 HN1 NH2 23 HN1 NH2 23 7.822 9.443 7.347
172 HN2 NH2 23 HN2 NH2 23 9.281 10.223 7.759
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -3.562 -15.591 -2.741
2 H2 GLY 1 2HT GLY 1 -4.617 -14.777 -1.688
3 H3 GLY 1 3HT GLY 1 -4.374 -16.450 -1.525
4 HA2 GLY 1 2HA GLY 1 -3.157 -14.765 0.041
5 HA3 GLY 1 1HA GLY 1 -2.352 -16.229 -0.527
6 H VAL 2 H VAL 2 -1.107 -16.029 -2.577
7 HA VAL 2 HA VAL 2 0.807 -13.993 -2.439
8 HB VAL 2 HB VAL 2 0.103 -15.554 -4.930
9 HG11 VAL 2 1HG1 VAL 2 2.723 -14.460 -3.860
10 HG12 VAL 2 2HG1 VAL 2 1.771 -13.725 -5.149
11 HG13 VAL 2 3HG1 VAL 2 2.502 -15.313 -5.387
12 HG21 VAL 2 1HG2 VAL 2 1.772 -17.219 -4.022
13 HG22 VAL 2 2HG2 VAL 2 0.261 -17.150 -3.116
14 HG23 VAL 2 3HG2 VAL 2 1.705 -16.360 -2.483
15 H VAL 3 H VAL 3 -1.769 -14.408 -4.882
16 HA VAL 3 HA VAL 3 -1.361 -11.909 -6.131
17 HB VAL 3 HB VAL 3 -2.578 -13.741 -7.216
18 HG11 VAL 3 1HG1 VAL 3 -3.696 -14.561 -5.133
19 HG12 VAL 3 2HG1 VAL 3 -4.817 -14.360 -6.480
20 HG13 VAL 3 3HG1 VAL 3 -4.760 -13.156 -5.193
21 HG21 VAL 3 1HG2 VAL 3 -4.443 -11.397 -6.747
22 HG22 VAL 3 2HG2 VAL 3 -4.337 -12.409 -8.188
23 HG23 VAL 3 3HG2 VAL 3 -3.020 -11.308 -7.785
24 H ASP 4 H ASP 4 -3.167 -12.872 -3.303
25 HA ASP 4 HA ASP 4 -4.945 -10.732 -3.055
26 HB2 ASP 4 2HB ASP 4 -4.773 -12.844 -1.619
27 HB3 ASP 4 1HB ASP 4 -3.521 -11.993 -0.716
28 H ILE 5 H ILE 5 -1.558 -11.013 -2.041
29 HA ILE 5 HA ILE 5 -1.360 -8.565 -0.691
30 HB ILE 5 HB ILE 5 0.789 -9.979 -2.223
31 HG12 ILE 5 2HG1 ILE 5 0.193 -10.233 0.726
32 HG13 ILE 5 1HG1 ILE 5 -0.526 -11.327 -0.464
33 HG21 ILE 5 1HG2 ILE 5 0.861 -7.988 0.055
34 HG22 ILE 5 2HG2 ILE 5 1.432 -7.719 -1.593
35 HG23 ILE 5 3HG2 ILE 5 2.268 -8.865 -0.545
36 HD11 ILE 5 1HD1 ILE 5 2.454 -10.842 -0.196
37 HD12 ILE 5 2HD1 ILE 5 1.664 -12.048 -1.210
38 HD13 ILE 5 3HD1 ILE 5 1.605 -12.198 0.546
39 H LEU 6 H LEU 6 -0.560 -9.397 -4.002
40 HA LEU 6 HA LEU 6 0.235 -6.859 -4.875
41 HB2 LEU 6 2HB LEU 6 -0.545 -9.414 -6.103
42 HB3 LEU 6 1HB LEU 6 -0.915 -8.013 -7.112
43 HG LEU 6 HG LEU 6 1.789 -8.274 -5.798
44 HD11 LEU 6 1HD1 LEU 6 1.503 -10.366 -7.003
45 HD12 LEU 6 2HD1 LEU 6 2.573 -9.319 -7.937
46 HD13 LEU 6 3HD1 LEU 6 0.886 -9.509 -8.416
47 HD21 LEU 6 1HD2 LEU 6 1.178 -6.121 -6.827
48 HD22 LEU 6 2HD2 LEU 6 0.775 -6.944 -8.334
49 HD23 LEU 6 3HD2 LEU 6 2.445 -6.908 -7.768
50 H LYS 7 H LYS 7 -2.963 -8.349 -4.680
51 HA LYS 7 HA LYS 7 -4.351 -6.275 -6.040
52 HB2 LYS 7 2HB LYS 7 -5.058 -8.731 -5.436
53 HB3 LYS 7 1HB LYS 7 -5.671 -7.971 -3.969
54 HG2 LYS 7 2HG LYS 7 -7.517 -7.737 -5.353
55 HG3 LYS 7 1HG LYS 7 -6.691 -6.223 -5.690
56 HD2 LYS 7 2HD LYS 7 -5.695 -7.150 -7.700
57 HD3 LYS 7 1HD LYS 7 -6.336 -8.749 -7.328
58 HE2 LYS 7 2HE LYS 7 -8.181 -6.384 -7.626
59 HE3 LYS 7 1HE LYS 7 -7.631 -7.286 -9.038
60 HZ1 LYS 7 1HZ LYS 7 -9.116 -8.844 -8.595
61 HZ2 LYS 7 2HZ LYS 7 -9.672 -7.955 -7.259
62 HZ3 LYS 7 3HZ LYS 7 -8.437 -9.105 -7.063
63 H GLY 8 H GLY 8 -3.405 -6.821 -2.707
64 HA2 GLY 8 2HA GLY 8 -4.990 -4.590 -1.711
65 HA3 GLY 8 1HA GLY 8 -3.922 -5.623 -0.764
66 H ALA 9 H ALA 9 -2.274 -4.718 -3.492
67 HA ALA 9 HA ALA 9 -0.362 -3.172 -2.150
68 HB1 ALA 9 1HB ALA 9 0.175 -4.279 -4.236
69 HB2 ALA 9 2HB ALA 9 0.415 -2.543 -4.439
70 HB3 ALA 9 3HB ALA 9 -1.025 -3.318 -5.100
71 H ALA 10 H ALA 10 -3.424 -2.304 -3.487
72 HA ALA 10 HA ALA 10 -3.022 0.425 -4.019
73 HB1 ALA 10 1HB ALA 10 -5.526 -0.928 -2.986
74 HB2 ALA 10 2HB ALA 10 -5.051 -0.821 -4.682
75 HB3 ALA 10 3HB ALA 10 -5.447 0.644 -3.782
76 H LYS 11 H LYS 11 -4.169 -1.178 -1.047
77 HA LYS 11 HA LYS 11 -4.329 1.204 0.465
78 HB2 LYS 11 2HB LYS 11 -5.427 -1.077 0.936
79 HB3 LYS 11 1HB LYS 11 -3.884 -1.490 1.670
80 HG2 LYS 11 2HG LYS 11 -4.049 0.377 3.218
81 HG3 LYS 11 1HG LYS 11 -5.525 0.937 2.429
82 HD2 LYS 11 2HD LYS 11 -6.611 -1.238 3.023
83 HD3 LYS 11 1HD LYS 11 -5.160 -1.672 3.928
84 HE2 LYS 11 2HE LYS 11 -5.483 0.075 5.500
85 HE3 LYS 11 1HE LYS 11 -6.650 0.899 4.466
86 HZ1 LYS 11 1HZ LYS 11 -8.252 -0.230 5.460
87 HZ2 LYS 11 2HZ LYS 11 -7.122 -1.066 6.416
88 HZ3 LYS 11 3HZ LYS 11 -7.585 -1.687 4.904
89 H ASP 12 H ASP 12 -1.727 -0.884 -0.356
90 HA ASP 12 HA ASP 12 0.064 -0.376 1.736
91 HB2 ASP 12 2HB ASP 12 0.341 -1.994 -0.231
92 HB3 ASP 12 1HB ASP 12 0.883 -0.599 -1.161
93 H ILE 13 H ILE 13 -1.085 1.604 -0.858
94 HA ILE 13 HA ILE 13 0.981 3.507 -1.029
95 HB ILE 13 HB ILE 13 -1.999 3.924 -1.374
96 HG12 ILE 13 2HG1 ILE 13 0.117 3.329 -3.463
97 HG13 ILE 13 1HG1 ILE 13 -0.921 2.085 -2.752
98 HG21 ILE 13 1HG2 ILE 13 -1.185 5.760 -2.910
99 HG22 ILE 13 2HG2 ILE 13 0.432 5.505 -2.253
100 HG23 ILE 13 3HG2 ILE 13 -0.873 6.051 -1.199
101 HD11 ILE 13 1HD1 ILE 13 -1.954 2.810 -4.814
102 HD12 ILE 13 2HD1 ILE 13 -1.799 4.504 -4.353
103 HD13 ILE 13 3HD1 ILE 13 -2.913 3.451 -3.481
104 H ALA 14 H ALA 14 -1.649 3.116 1.271
105 HA ALA 14 HA ALA 14 -1.632 5.627 2.485
106 HB1 ALA 14 1HB ALA 14 -2.064 2.922 3.772
107 HB2 ALA 14 2HB ALA 14 -3.306 3.919 3.014
108 HB3 ALA 14 3HB ALA 14 -2.507 4.472 4.485
109 H GLY 15 H GLY 15 0.659 3.042 2.630
110 HA2 GLY 15 2HA GLY 15 2.004 3.899 5.019
111 HA3 GLY 15 1HA GLY 15 2.607 2.734 3.843
112 H HIS 16 H HIS 16 2.405 4.437 1.554
113 HA HIS 16 HA HIS 16 4.915 5.703 1.622
114 HB2 HIS 16 2HB HIS 16 3.661 4.876 -0.416
115 HB3 HIS 16 1HB HIS 16 2.712 6.350 -0.298
116 HD2 HIS 16 2HD HIS 16 4.849 5.964 -2.841
117 HE1 HIS 16 1HE HIS 16 7.114 8.886 -0.804
118 HE2 HIS 16 2HE HIS 16 6.779 7.712 -3.031
119 H LEU 17 H LEU 17 1.632 6.984 1.953
120 HA LEU 17 HA LEU 17 2.339 9.709 2.002
121 HB2 LEU 17 2HB LEU 17 -0.031 8.078 2.775
122 HB3 LEU 17 1HB LEU 17 0.077 9.701 3.452
123 HG LEU 17 HG LEU 17 0.642 9.514 0.538
124 HD11 LEU 17 1HD1 LEU 17 -2.070 8.883 1.720
125 HD12 LEU 17 2HD1 LEU 17 -1.161 7.944 0.537
126 HD13 LEU 17 3HD1 LEU 17 -1.867 9.495 0.079
127 HD21 LEU 17 1HD2 LEU 17 -0.669 11.574 0.513
128 HD22 LEU 17 2HD2 LEU 17 0.479 11.650 1.850
129 HD23 LEU 17 3HD2 LEU 17 -1.217 11.285 2.164
130 H ALA 18 H ALA 18 2.238 7.235 4.436
131 HA ALA 18 HA ALA 18 2.472 8.901 6.717
132 HB1 ALA 18 1HB ALA 18 2.965 6.906 7.930
133 HB2 ALA 18 2HB ALA 18 3.510 6.077 6.473
134 HB3 ALA 18 3HB ALA 18 1.800 6.449 6.688
135 H SER 19 H SER 19 4.718 7.524 4.455
136 HA SER 19 HA SER 19 7.063 8.103 5.960
137 HB2 SER 19 2HB SER 19 7.318 6.380 4.378
138 HB3 SER 19 1HB SER 19 6.551 7.322 3.104
139 HG SER 19 HG SER 19 8.772 7.366 2.809
140 H LYS 20 H LYS 20 5.484 9.653 3.164
141 HA LYS 20 HA LYS 20 7.308 11.724 2.803
142 HB2 LYS 20 2HB LYS 20 4.910 10.793 1.692
143 HB3 LYS 20 1HB LYS 20 4.577 12.427 2.190
144 HG2 LYS 20 2HG LYS 20 6.740 13.096 1.038
145 HG3 LYS 20 1HG LYS 20 6.714 11.473 0.369
146 HD2 LYS 20 2HD LYS 20 4.400 11.943 -0.512
147 HD3 LYS 20 1HD LYS 20 4.630 13.621 -0.019
148 HE2 LYS 20 2HE LYS 20 6.571 13.826 -1.485
149 HE3 LYS 20 1HE LYS 20 6.455 12.121 -1.920
150 HZ1 LYS 20 1HZ LYS 20 4.557 14.300 -2.564
151 HZ2 LYS 20 2HZ LYS 20 4.138 12.660 -2.705
152 HZ3 LYS 20 3HZ LYS 20 5.405 13.300 -3.639
153 H VAL 21 H VAL 21 4.214 11.686 4.594
154 HA VAL 21 HA VAL 21 4.374 14.346 5.516
155 HB VAL 21 HB VAL 21 2.311 12.914 5.511
156 HG11 VAL 21 1HG1 VAL 21 1.978 11.267 7.197
157 HG12 VAL 21 2HG1 VAL 21 3.409 11.783 8.091
158 HG13 VAL 21 3HG1 VAL 21 3.587 10.942 6.551
159 HG21 VAL 21 1HG2 VAL 21 2.635 15.048 6.882
160 HG22 VAL 21 2HG2 VAL 21 2.955 14.000 8.263
161 HG23 VAL 21 3HG2 VAL 21 1.384 13.949 7.463
162 H MET 22 H MET 22 6.192 11.624 6.347
163 HA MET 22 HA MET 22 7.173 12.975 8.790
164 HB2 MET 22 2HB MET 22 5.768 10.995 9.364
165 HB3 MET 22 1HB MET 22 6.875 9.984 8.435
166 HG2 MET 22 2HG MET 22 8.699 10.467 9.906
167 HG3 MET 22 1HG MET 22 7.806 11.768 10.694
168 HE1 MET 22 1HE MET 22 8.872 8.098 11.045
169 HE2 MET 22 2HE MET 22 7.780 8.160 9.664
170 HE3 MET 22 3HE MET 22 7.319 7.253 11.103
171 HN1 NH2 23 HN1 NH2 23 8.340 9.930 7.356
172 HN2 NH2 23 HN2 NH2 23 9.860 10.550 6.889
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -3.570 -15.213 0.822
2 H2 GLY 1 2HT GLY 1 -4.926 -15.884 0.046
3 H3 GLY 1 3HT GLY 1 -4.213 -14.464 -0.557
4 HA2 GLY 1 2HA GLY 1 -2.340 -16.620 -0.358
5 HA3 GLY 1 1HA GLY 1 -3.698 -16.990 -1.421
6 H VAL 2 H VAL 2 -3.217 -16.537 -3.473
7 HA VAL 2 HA VAL 2 -1.119 -14.813 -4.280
8 HB VAL 2 HB VAL 2 -2.040 -15.128 -6.558
9 HG11 VAL 2 1HG1 VAL 2 -1.970 -17.674 -6.496
10 HG12 VAL 2 2HG1 VAL 2 -1.856 -17.542 -4.741
11 HG13 VAL 2 3HG1 VAL 2 -0.588 -16.861 -5.761
12 HG21 VAL 2 1HG2 VAL 2 -4.042 -16.717 -6.693
13 HG22 VAL 2 2HG2 VAL 2 -4.401 -15.069 -6.177
14 HG23 VAL 2 3HG2 VAL 2 -4.311 -16.366 -4.985
15 H VAL 3 H VAL 3 -4.635 -14.401 -4.107
16 HA VAL 3 HA VAL 3 -4.840 -11.904 -5.351
17 HB VAL 3 HB VAL 3 -6.805 -13.236 -4.784
18 HG11 VAL 3 1HG1 VAL 3 -5.932 -14.141 -2.641
19 HG12 VAL 3 2HG1 VAL 3 -7.542 -13.448 -2.452
20 HG13 VAL 3 3HG1 VAL 3 -6.126 -12.550 -1.906
21 HG21 VAL 3 1HG2 VAL 3 -6.871 -10.669 -3.175
22 HG22 VAL 3 2HG2 VAL 3 -8.213 -11.446 -4.014
23 HG23 VAL 3 3HG2 VAL 3 -6.910 -10.697 -4.938
24 H ASP 4 H ASP 4 -3.830 -12.784 -2.111
25 HA ASP 4 HA ASP 4 -4.046 -10.351 -0.786
26 HB2 ASP 4 2HB ASP 4 -3.287 -12.605 0.142
27 HB3 ASP 4 1HB ASP 4 -1.686 -12.202 -0.475
28 H ILE 5 H ILE 5 -1.740 -11.394 -3.202
29 HA ILE 5 HA ILE 5 0.240 -9.448 -2.826
30 HB ILE 5 HB ILE 5 -0.611 -10.666 -5.424
31 HG12 ILE 5 2HG1 ILE 5 1.560 -11.689 -3.592
32 HG13 ILE 5 1HG1 ILE 5 -0.109 -12.266 -3.460
33 HG21 ILE 5 1HG2 ILE 5 0.924 -8.816 -5.731
34 HG22 ILE 5 2HG2 ILE 5 1.814 -10.319 -5.975
35 HG23 ILE 5 3HG2 ILE 5 1.977 -9.433 -4.458
36 HD11 ILE 5 1HD1 ILE 5 -0.057 -12.928 -5.843
37 HD12 ILE 5 2HD1 ILE 5 1.202 -13.751 -4.921
38 HD13 ILE 5 3HD1 ILE 5 1.615 -12.381 -5.954
39 H LEU 6 H LEU 6 -2.567 -9.466 -4.921
40 HA LEU 6 HA LEU 6 -2.212 -6.926 -6.066
41 HB2 LEU 6 2HB LEU 6 -4.380 -8.913 -5.840
42 HB3 LEU 6 1HB LEU 6 -4.944 -7.249 -6.018
43 HG LEU 6 HG LEU 6 -2.778 -8.326 -7.821
44 HD11 LEU 6 1HD1 LEU 6 -4.581 -8.906 -9.447
45 HD12 LEU 6 2HD1 LEU 6 -5.776 -8.621 -8.180
46 HD13 LEU 6 3HD1 LEU 6 -4.606 -9.931 -8.012
47 HD21 LEU 6 1HD2 LEU 6 -4.929 -6.198 -8.099
48 HD22 LEU 6 2HD2 LEU 6 -3.771 -6.628 -9.358
49 HD23 LEU 6 3HD2 LEU 6 -3.207 -5.910 -7.851
50 H LYS 7 H LYS 7 -3.870 -7.963 -3.116
51 HA LYS 7 HA LYS 7 -4.931 -5.407 -2.456
52 HB2 LYS 7 2HB LYS 7 -5.545 -7.803 -1.585
53 HB3 LYS 7 1HB LYS 7 -4.304 -7.461 -0.380
54 HG2 LYS 7 2HG LYS 7 -6.182 -6.580 0.669
55 HG3 LYS 7 1HG LYS 7 -5.574 -5.154 -0.156
56 HD2 LYS 7 2HD LYS 7 -7.175 -5.384 -1.923
57 HD3 LYS 7 1HD LYS 7 -7.638 -6.998 -1.385
58 HE2 LYS 7 2HE LYS 7 -9.113 -4.883 -0.748
59 HE3 LYS 7 1HE LYS 7 -8.881 -6.201 0.401
60 HZ1 LYS 7 1HZ LYS 7 -7.611 -3.544 0.346
61 HZ2 LYS 7 2HZ LYS 7 -6.826 -4.844 1.107
62 HZ3 LYS 7 3HZ LYS 7 -8.360 -4.345 1.640
63 H GLY 8 H GLY 8 -1.807 -6.790 -2.240
64 HA2 GLY 8 2HA GLY 8 -0.838 -5.261 -0.014
65 HA3 GLY 8 1HA GLY 8 0.144 -6.142 -1.181
66 H ALA 9 H ALA 9 -0.253 -5.027 -3.533
67 HA ALA 9 HA ALA 9 1.257 -2.727 -3.604
68 HB1 ALA 9 1HB ALA 9 -0.943 -3.392 -5.572
69 HB2 ALA 9 2HB ALA 9 0.648 -4.153 -5.573
70 HB3 ALA 9 3HB ALA 9 0.499 -2.422 -5.875
71 H ALA 10 H ALA 10 -2.197 -3.054 -3.095
72 HA ALA 10 HA ALA 10 -2.991 -0.399 -3.523
73 HB1 ALA 10 1HB ALA 10 -4.497 -2.393 -3.130
74 HB2 ALA 10 2HB ALA 10 -4.951 -0.932 -2.253
75 HB3 ALA 10 3HB ALA 10 -4.124 -2.243 -1.414
76 H LYS 11 H LYS 11 -1.755 -2.001 -0.606
77 HA LYS 11 HA LYS 11 -1.965 0.304 1.038
78 HB2 LYS 11 2HB LYS 11 -1.762 -2.219 1.694
79 HB3 LYS 11 1HB LYS 11 -0.037 -1.889 1.606
80 HG2 LYS 11 2HG LYS 11 -0.466 0.112 3.130
81 HG3 LYS 11 1HG LYS 11 -2.078 -0.553 3.385
82 HD2 LYS 11 2HD LYS 11 -0.669 -1.350 5.179
83 HD3 LYS 11 1HD LYS 11 -0.999 -2.711 4.108
84 HE2 LYS 11 2HE LYS 11 1.427 -1.102 3.473
85 HE3 LYS 11 1HE LYS 11 1.496 -2.084 4.937
86 HZ1 LYS 11 1HZ LYS 11 0.359 -3.738 3.110
87 HZ2 LYS 11 2HZ LYS 11 1.992 -3.754 3.580
88 HZ3 LYS 11 3HZ LYS 11 1.514 -2.901 2.190
89 H ASP 12 H ASP 12 0.363 -0.838 -1.213
90 HA ASP 12 HA ASP 12 2.683 0.436 -0.305
91 HB2 ASP 12 2HB ASP 12 2.410 -1.164 -2.296
92 HB3 ASP 12 1HB ASP 12 1.913 0.255 -3.217
93 H ILE 13 H ILE 13 -0.227 1.667 -1.718
94 HA ILE 13 HA ILE 13 0.849 4.217 -2.516
95 HB ILE 13 HB ILE 13 -2.003 3.313 -2.049
96 HG12 ILE 13 2HG1 ILE 13 -0.554 3.786 -4.667
97 HG13 ILE 13 1HG1 ILE 13 -0.594 2.200 -3.882
98 HG21 ILE 13 1HG2 ILE 13 -1.984 5.695 -1.888
99 HG22 ILE 13 2HG2 ILE 13 -2.463 5.338 -3.547
100 HG23 ILE 13 3HG2 ILE 13 -0.811 5.846 -3.196
101 HD11 ILE 13 1HD1 ILE 13 -3.011 3.828 -4.733
102 HD12 ILE 13 2HD1 ILE 13 -3.075 2.275 -3.898
103 HD13 ILE 13 3HD1 ILE 13 -2.409 2.372 -5.527
104 H ALA 14 H ALA 14 -1.355 3.222 0.115
105 HA ALA 14 HA ALA 14 -1.417 5.673 1.458
106 HB1 ALA 14 1HB ALA 14 -1.647 2.874 2.588
107 HB2 ALA 14 2HB ALA 14 -2.973 3.871 1.989
108 HB3 ALA 14 3HB ALA 14 -2.096 4.350 3.442
109 H GLY 15 H GLY 15 1.023 3.234 1.314
110 HA2 GLY 15 2HA GLY 15 2.443 3.798 3.687
111 HA3 GLY 15 1HA GLY 15 3.127 3.071 2.235
112 H HIS 16 H HIS 16 2.615 5.190 0.430
113 HA HIS 16 HA HIS 16 4.885 6.820 0.900
114 HB2 HIS 16 2HB HIS 16 4.621 7.398 -1.270
115 HB3 HIS 16 1HB HIS 16 3.336 6.193 -1.294
116 HD2 HIS 16 2HD HIS 16 0.873 7.265 -1.952
117 HE1 HIS 16 1HE HIS 16 1.753 11.314 -1.145
118 HE2 HIS 16 2HE HIS 16 -0.011 9.719 -2.038
119 H LEU 17 H LEU 17 1.420 7.323 1.362
120 HA LEU 17 HA LEU 17 1.532 10.080 1.941
121 HB2 LEU 17 2HB LEU 17 -0.417 7.864 2.322
122 HB3 LEU 17 1HB LEU 17 -0.645 9.300 3.316
123 HG LEU 17 HG LEU 17 -0.115 9.835 0.441
124 HD11 LEU 17 1HD1 LEU 17 -2.456 9.313 -0.199
125 HD12 LEU 17 2HD1 LEU 17 -2.703 8.558 1.376
126 HD13 LEU 17 3HD1 LEU 17 -1.552 7.862 0.234
127 HD21 LEU 17 1HD2 LEU 17 -1.785 11.551 0.800
128 HD22 LEU 17 2HD2 LEU 17 -0.719 11.546 2.205
129 HD23 LEU 17 3HD2 LEU 17 -2.310 10.794 2.304
130 H ALA 18 H ALA 18 2.016 7.217 3.839
131 HA ALA 18 HA ALA 18 1.921 8.406 6.409
132 HB1 ALA 18 1HB ALA 18 3.362 5.923 5.451
133 HB2 ALA 18 2HB ALA 18 1.736 5.987 6.132
134 HB3 ALA 18 3HB ALA 18 3.131 6.367 7.142
135 H SER 19 H SER 19 4.375 8.037 3.978
136 HA SER 19 HA SER 19 6.624 8.671 5.540
137 HB2 SER 19 2HB SER 19 6.710 7.654 3.267
138 HB3 SER 19 1HB SER 19 6.224 9.207 2.593
139 HG SER 19 HG SER 19 8.506 8.752 4.227
140 H LYS 20 H LYS 20 4.313 10.689 3.780
141 HA LYS 20 HA LYS 20 5.653 13.115 3.874
142 HB2 LYS 20 2HB LYS 20 3.186 12.099 3.038
143 HB3 LYS 20 1HB LYS 20 2.790 13.327 4.206
144 HG2 LYS 20 2HG LYS 20 4.418 14.848 2.980
145 HG3 LYS 20 1HG LYS 20 4.408 13.607 1.739
146 HD2 LYS 20 2HD LYS 20 1.920 13.805 1.605
147 HD3 LYS 20 1HD LYS 20 2.015 15.158 2.732
148 HE2 LYS 20 2HE LYS 20 3.582 16.293 1.115
149 HE3 LYS 20 1HE LYS 20 3.240 15.000 -0.034
150 HZ1 LYS 20 1HZ LYS 20 1.789 17.285 0.293
151 HZ2 LYS 20 2HZ LYS 20 0.862 16.110 1.098
152 HZ3 LYS 20 3HZ LYS 20 1.282 15.893 -0.534
153 H VAL 21 H VAL 21 3.255 11.764 6.149
154 HA VAL 21 HA VAL 21 3.502 13.934 7.993
155 HB VAL 21 HB VAL 21 1.442 12.665 7.920
156 HG11 VAL 21 1HG1 VAL 21 3.132 10.301 8.794
157 HG12 VAL 21 2HG1 VAL 21 2.453 10.523 7.181
158 HG13 VAL 21 3HG1 VAL 21 1.383 10.297 8.564
159 HG21 VAL 21 1HG2 VAL 21 1.134 12.321 10.265
160 HG22 VAL 21 2HG2 VAL 21 2.366 13.575 10.133
161 HG23 VAL 21 3HG2 VAL 21 2.834 11.916 10.502
162 H MET 22 H MET 22 5.330 11.120 7.362
163 HA MET 22 HA MET 22 6.512 11.038 10.043
164 HB2 MET 22 2HB MET 22 5.921 8.953 8.688
165 HB3 MET 22 1HB MET 22 7.297 9.359 7.662
166 HG2 MET 22 2HG MET 22 8.745 9.390 9.709
167 HG3 MET 22 1HG MET 22 7.362 8.822 10.644
168 HE1 MET 22 1HE MET 22 9.721 7.221 11.017
169 HE2 MET 22 2HE MET 22 10.493 7.699 9.508
170 HE3 MET 22 3HE MET 22 10.202 5.994 9.838
171 HN1 NH2 23 HN1 NH2 23 8.240 10.702 6.923
172 HN2 NH2 23 HN2 NH2 23 6.442 13.661 3.653
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -0.492 -16.310 -1.459
2 H2 GLY 1 2HT GLY 1 -1.724 -17.122 -0.618
3 H3 GLY 1 3HT GLY 1 -1.519 -15.447 -0.423
4 HA2 GLY 1 2HA GLY 1 -2.369 -16.829 -2.910
5 HA3 GLY 1 1HA GLY 1 -3.403 -15.873 -1.848
6 H VAL 2 H VAL 2 -1.741 -15.744 -4.667
7 HA VAL 2 HA VAL 2 -0.312 -13.376 -4.725
8 HB VAL 2 HB VAL 2 -2.175 -14.297 -6.922
9 HG11 VAL 2 1HG1 VAL 2 0.440 -12.760 -6.888
10 HG12 VAL 2 2HG1 VAL 2 -1.147 -12.117 -7.305
11 HG13 VAL 2 3HG1 VAL 2 -0.379 -13.311 -8.350
12 HG21 VAL 2 1HG2 VAL 2 -0.912 -16.232 -6.277
13 HG22 VAL 2 2HG2 VAL 2 0.562 -15.284 -6.079
14 HG23 VAL 2 3HG2 VAL 2 -0.099 -15.563 -7.690
15 H VAL 3 H VAL 3 -3.804 -13.867 -4.841
16 HA VAL 3 HA VAL 3 -4.631 -11.302 -5.556
17 HB VAL 3 HB VAL 3 -6.162 -13.221 -5.359
18 HG11 VAL 3 1HG1 VAL 3 -6.802 -14.123 -3.247
19 HG12 VAL 3 2HG1 VAL 3 -6.005 -12.819 -2.366
20 HG13 VAL 3 3HG1 VAL 3 -5.041 -14.035 -3.204
21 HG21 VAL 3 1HG2 VAL 3 -8.028 -12.007 -4.395
22 HG22 VAL 3 2HG2 VAL 3 -6.982 -10.842 -5.209
23 HG23 VAL 3 3HG2 VAL 3 -6.936 -10.992 -3.452
24 H ASP 4 H ASP 4 -3.782 -12.609 -2.371
25 HA ASP 4 HA ASP 4 -4.513 -10.444 -0.777
26 HB2 ASP 4 2HB ASP 4 -3.631 -12.729 -0.049
27 HB3 ASP 4 1HB ASP 4 -2.017 -12.076 -0.327
28 H ILE 5 H ILE 5 -1.684 -10.917 -2.808
29 HA ILE 5 HA ILE 5 -0.198 -8.709 -1.840
30 HB ILE 5 HB ILE 5 -0.003 -9.834 -4.597
31 HG12 ILE 5 2HG1 ILE 5 1.244 -10.929 -2.059
32 HG13 ILE 5 1HG1 ILE 5 -0.074 -11.699 -2.955
33 HG21 ILE 5 1HG2 ILE 5 2.269 -9.118 -4.483
34 HG22 ILE 5 2HG2 ILE 5 2.167 -8.856 -2.742
35 HG23 ILE 5 3HG2 ILE 5 1.314 -7.779 -3.848
36 HD11 ILE 5 1HD1 ILE 5 1.426 -11.735 -4.978
37 HD12 ILE 5 2HD1 ILE 5 1.993 -12.743 -3.647
38 HD13 ILE 5 3HD1 ILE 5 2.740 -11.174 -3.945
39 H LEU 6 H LEU 6 -2.123 -9.150 -4.739
40 HA LEU 6 HA LEU 6 -1.947 -6.552 -5.749
41 HB2 LEU 6 2HB LEU 6 -3.659 -8.912 -6.158
42 HB3 LEU 6 1HB LEU 6 -4.472 -7.382 -6.502
43 HG LEU 6 HG LEU 6 -1.707 -7.913 -7.587
44 HD11 LEU 6 1HD1 LEU 6 -3.080 -9.833 -8.270
45 HD12 LEU 6 2HD1 LEU 6 -2.773 -8.778 -9.649
46 HD13 LEU 6 3HD1 LEU 6 -4.341 -8.742 -8.844
47 HD21 LEU 6 1HD2 LEU 6 -2.530 -6.356 -9.349
48 HD22 LEU 6 2HD2 LEU 6 -2.609 -5.630 -7.743
49 HD23 LEU 6 3HD2 LEU 6 -4.075 -6.246 -8.506
50 H LYS 7 H LYS 7 -4.210 -7.965 -3.419
51 HA LYS 7 HA LYS 7 -5.857 -5.658 -3.181
52 HB2 LYS 7 2HB LYS 7 -6.280 -8.148 -2.484
53 HB3 LYS 7 1HB LYS 7 -5.547 -7.635 -0.963
54 HG2 LYS 7 2HG LYS 7 -7.769 -7.114 -0.553
55 HG3 LYS 7 1HG LYS 7 -7.211 -5.587 -1.216
56 HD2 LYS 7 2HD LYS 7 -8.082 -6.165 -3.412
57 HD3 LYS 7 1HD LYS 7 -8.516 -7.780 -2.854
58 HE2 LYS 7 2HE LYS 7 -10.410 -6.049 -2.931
59 HE3 LYS 7 1HE LYS 7 -10.220 -6.943 -1.423
60 HZ1 LYS 7 1HZ LYS 7 -9.179 -4.223 -1.995
61 HZ2 LYS 7 2HZ LYS 7 -8.900 -5.088 -0.562
62 HZ3 LYS 7 3HZ LYS 7 -10.476 -4.605 -0.972
63 H GLY 8 H GLY 8 -3.014 -6.841 -1.458
64 HA2 GLY 8 2HA GLY 8 -3.095 -4.680 0.483
65 HA3 GLY 8 1HA GLY 8 -1.858 -5.928 0.353
66 H ALA 9 H ALA 9 -1.812 -5.214 -2.655
67 HA ALA 9 HA ALA 9 0.504 -3.643 -2.638
68 HB1 ALA 9 1HB ALA 9 -0.171 -5.069 -4.536
69 HB2 ALA 9 2HB ALA 9 0.159 -3.415 -5.054
70 HB3 ALA 9 3HB ALA 9 -1.507 -3.969 -4.878
71 H ALA 10 H ALA 10 -2.895 -2.736 -3.005
72 HA ALA 10 HA ALA 10 -2.559 -0.054 -3.732
73 HB1 ALA 10 1HB ALA 10 -4.716 -1.455 -2.151
74 HB2 ALA 10 2HB ALA 10 -4.750 -0.975 -3.848
75 HB3 ALA 10 3HB ALA 10 -4.813 0.252 -2.582
76 H LYS 11 H LYS 11 -2.754 -1.537 -0.507
77 HA LYS 11 HA LYS 11 -2.472 0.906 0.900
78 HB2 LYS 11 2HB LYS 11 -3.503 -0.940 2.021
79 HB3 LYS 11 1HB LYS 11 -2.083 -1.938 1.748
80 HG2 LYS 11 2HG LYS 11 -0.756 -0.663 3.260
81 HG3 LYS 11 1HG LYS 11 -1.947 0.637 3.314
82 HD2 LYS 11 2HD LYS 11 -3.474 -0.666 4.583
83 HD3 LYS 11 1HD LYS 11 -2.609 -2.163 4.234
84 HE2 LYS 11 2HE LYS 11 -0.794 -1.570 5.653
85 HE3 LYS 11 1HE LYS 11 -1.320 0.111 5.751
86 HZ1 LYS 11 1HZ LYS 11 -2.032 -0.814 7.737
87 HZ2 LYS 11 2HZ LYS 11 -2.514 -2.274 7.014
88 HZ3 LYS 11 3HZ LYS 11 -3.428 -0.862 6.776
89 H ASP 12 H ASP 12 -0.258 -1.272 -0.565
90 HA ASP 12 HA ASP 12 2.076 -0.747 0.885
91 HB2 ASP 12 2HB ASP 12 1.710 -2.425 -1.032
92 HB3 ASP 12 1HB ASP 12 2.029 -1.070 -2.113
93 H ILE 13 H ILE 13 0.252 1.182 -1.332
94 HA ILE 13 HA ILE 13 2.397 3.125 -1.729
95 HB ILE 13 HB ILE 13 -0.504 3.223 -2.591
96 HG12 ILE 13 2HG1 ILE 13 1.941 2.520 -4.240
97 HG13 ILE 13 1HG1 ILE 13 0.903 1.297 -3.491
98 HG21 ILE 13 1HG2 ILE 13 0.480 5.433 -2.562
99 HG22 ILE 13 2HG2 ILE 13 0.433 4.887 -4.239
100 HG23 ILE 13 3HG2 ILE 13 1.949 4.840 -3.338
101 HD11 ILE 13 1HD1 ILE 13 -1.051 2.278 -4.693
102 HD12 ILE 13 2HD1 ILE 13 0.180 1.660 -5.794
103 HD13 ILE 13 3HD1 ILE 13 0.045 3.395 -5.507
104 H ALA 14 H ALA 14 -0.580 2.754 0.112
105 HA ALA 14 HA ALA 14 -0.877 5.405 0.992
106 HB1 ALA 14 1HB ALA 14 -1.568 2.924 2.572
107 HB2 ALA 14 2HB ALA 14 -2.560 3.550 1.255
108 HB3 ALA 14 3HB ALA 14 -2.309 4.519 2.706
109 H GLY 15 H GLY 15 1.330 2.911 1.909
110 HA2 GLY 15 2HA GLY 15 2.061 3.987 4.465
111 HA3 GLY 15 1HA GLY 15 2.952 2.772 3.551
112 H HIS 16 H HIS 16 3.121 4.456 1.157
113 HA HIS 16 HA HIS 16 5.550 5.815 1.774
114 HB2 HIS 16 2HB HIS 16 5.436 4.891 -0.381
115 HB3 HIS 16 1HB HIS 16 3.856 5.597 -0.678
116 HD2 HIS 16 2HD HIS 16 4.115 7.788 -2.325
117 HE1 HIS 16 1HE HIS 16 7.928 9.069 -1.042
118 HE2 HIS 16 2HE HIS 16 6.007 9.561 -2.629
119 H LEU 17 H LEU 17 2.235 6.851 1.120
120 HA LEU 17 HA LEU 17 2.776 9.625 1.068
121 HB2 LEU 17 2HB LEU 17 0.358 7.896 1.286
122 HB3 LEU 17 1HB LEU 17 0.194 9.585 1.757
123 HG LEU 17 HG LEU 17 1.625 9.144 -0.807
124 HD11 LEU 17 1HD1 LEU 17 -1.306 8.462 -0.463
125 HD12 LEU 17 2HD1 LEU 17 -0.034 7.414 -1.090
126 HD13 LEU 17 3HD1 LEU 17 -0.561 8.816 -2.021
127 HD21 LEU 17 1HD2 LEU 17 0.317 11.079 -1.476
128 HD22 LEU 17 2HD2 LEU 17 0.936 11.375 0.148
129 HD23 LEU 17 3HD2 LEU 17 -0.746 10.896 -0.079
130 H ALA 18 H ALA 18 2.039 7.354 3.591
131 HA ALA 18 HA ALA 18 1.504 9.211 5.660
132 HB1 ALA 18 1HB ALA 18 2.034 7.273 7.171
133 HB2 ALA 18 2HB ALA 18 2.476 6.349 5.735
134 HB3 ALA 18 3HB ALA 18 0.819 6.917 5.943
135 H SER 19 H SER 19 4.387 7.801 4.329
136 HA SER 19 HA SER 19 6.183 8.520 6.376
137 HB2 SER 19 2HB SER 19 6.735 6.871 4.635
138 HB3 SER 19 1HB SER 19 6.716 8.148 3.422
139 HG SER 19 HG SER 19 8.691 7.417 5.064
140 H LYS 20 H LYS 20 5.070 10.217 3.471
141 HA LYS 20 HA LYS 20 6.843 12.356 3.511
142 HB2 LYS 20 2HB LYS 20 4.632 11.472 2.042
143 HB3 LYS 20 1HB LYS 20 4.173 13.039 2.643
144 HG2 LYS 20 2HG LYS 20 6.425 13.884 1.828
145 HG3 LYS 20 1HG LYS 20 6.546 12.334 1.013
146 HD2 LYS 20 2HD LYS 20 4.400 12.789 -0.155
147 HD3 LYS 20 1HD LYS 20 4.366 14.383 0.600
148 HE2 LYS 20 2HE LYS 20 5.296 14.603 -1.636
149 HE3 LYS 20 1HE LYS 20 6.581 14.876 -0.459
150 HZ1 LYS 20 1HZ LYS 20 6.612 13.063 -2.508
151 HZ2 LYS 20 2HZ LYS 20 6.317 12.117 -1.127
152 HZ3 LYS 20 3HZ LYS 20 7.689 13.118 -1.199
153 H VAL 21 H VAL 21 3.569 12.090 4.918
154 HA VAL 21 HA VAL 21 3.775 14.652 6.204
155 HB VAL 21 HB VAL 21 1.613 13.731 5.405
156 HG11 VAL 21 1HG1 VAL 21 1.779 11.864 7.777
157 HG12 VAL 21 2HG1 VAL 21 2.240 11.359 6.150
158 HG13 VAL 21 3HG1 VAL 21 0.584 11.871 6.479
159 HG21 VAL 21 1HG2 VAL 21 1.846 15.405 7.320
160 HG22 VAL 21 2HG2 VAL 21 1.616 14.043 8.417
161 HG23 VAL 21 3HG2 VAL 21 0.338 14.491 7.288
162 H MET 22 H MET 22 4.650 11.430 6.970
163 HA MET 22 HA MET 22 4.991 12.147 9.825
164 HB2 MET 22 2HB MET 22 3.497 10.154 9.172
165 HB3 MET 22 1HB MET 22 4.999 9.337 8.738
166 HG2 MET 22 2HG MET 22 4.626 8.721 10.996
167 HG3 MET 22 1HG MET 22 5.833 10.004 11.083
168 HE1 MET 22 1HE MET 22 5.426 10.512 13.501
169 HE2 MET 22 2HE MET 22 4.439 11.937 13.809
170 HE3 MET 22 3HE MET 22 5.645 11.971 12.526
171 HN1 NH2 23 HN1 NH2 23 6.570 9.678 7.732
172 HN2 NH2 23 HN2 NH2 23 8.158 10.188 8.090
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -1.715 -16.694 -1.643
2 H2 GLY 1 2HT GLY 1 -0.800 -17.218 -0.310
3 H3 GLY 1 3HT GLY 1 -0.049 -16.381 -1.584
4 HA2 GLY 1 2HA GLY 1 -2.248 -15.045 -0.195
5 HA3 GLY 1 1HA GLY 1 -0.699 -15.172 0.640
6 H VAL 2 H VAL 2 -0.030 -15.298 -2.581
7 HA VAL 2 HA VAL 2 1.263 -12.799 -2.673
8 HB VAL 2 HB VAL 2 1.407 -13.248 -5.143
9 HG11 VAL 2 1HG1 VAL 2 3.123 -14.130 -3.680
10 HG12 VAL 2 2HG1 VAL 2 2.708 -15.385 -4.847
11 HG13 VAL 2 3HG1 VAL 2 2.085 -15.473 -3.199
12 HG21 VAL 2 1HG2 VAL 2 -0.175 -15.720 -4.369
13 HG22 VAL 2 2HG2 VAL 2 0.523 -15.397 -5.955
14 HG23 VAL 2 3HG2 VAL 2 -0.788 -14.387 -5.346
15 H VAL 3 H VAL 3 -1.973 -13.800 -3.574
16 HA VAL 3 HA VAL 3 -2.701 -11.584 -5.150
17 HB VAL 3 HB VAL 3 -4.036 -13.652 -5.016
18 HG11 VAL 3 1HG1 VAL 3 -3.688 -13.939 -2.530
19 HG12 VAL 3 2HG1 VAL 3 -5.355 -14.162 -3.059
20 HG13 VAL 3 3HG1 VAL 3 -4.871 -12.656 -2.279
21 HG21 VAL 3 1HG2 VAL 3 -5.013 -11.355 -5.615
22 HG22 VAL 3 2HG2 VAL 3 -5.683 -11.333 -3.984
23 HG23 VAL 3 3HG2 VAL 3 -6.170 -12.591 -5.121
24 H ASP 4 H ASP 4 -2.629 -12.080 -1.667
25 HA ASP 4 HA ASP 4 -4.146 -9.873 -0.846
26 HB2 ASP 4 2HB ASP 4 -3.372 -11.650 0.681
27 HB3 ASP 4 1HB ASP 4 -1.715 -11.073 0.504
28 H ILE 5 H ILE 5 -0.666 -10.129 -1.534
29 HA ILE 5 HA ILE 5 -0.036 -7.451 -0.910
30 HB ILE 5 HB ILE 5 1.406 -9.174 -2.881
31 HG12 ILE 5 2HG1 ILE 5 1.951 -9.074 0.089
32 HG13 ILE 5 1HG1 ILE 5 0.873 -10.288 -0.616
33 HG21 ILE 5 1HG2 ILE 5 2.140 -6.837 -2.762
34 HG22 ILE 5 2HG2 ILE 5 3.365 -7.897 -2.065
35 HG23 ILE 5 3HG2 ILE 5 2.299 -6.969 -1.010
36 HD11 ILE 5 1HD1 ILE 5 3.771 -9.828 -1.385
37 HD12 ILE 5 2HD1 ILE 5 2.695 -11.010 -2.129
38 HD13 ILE 5 3HD1 ILE 5 3.154 -11.180 -0.435
39 H LEU 6 H LEU 6 -0.779 -9.061 -3.924
40 HA LEU 6 HA LEU 6 -0.449 -6.876 -5.652
41 HB2 LEU 6 2HB LEU 6 -1.706 -9.537 -5.751
42 HB3 LEU 6 1HB LEU 6 -2.464 -8.355 -6.822
43 HG LEU 6 HG LEU 6 0.539 -8.646 -6.753
44 HD11 LEU 6 1HD1 LEU 6 -0.362 -10.903 -7.148
45 HD12 LEU 6 2HD1 LEU 6 0.346 -10.252 -8.626
46 HD13 LEU 6 3HD1 LEU 6 -1.405 -10.271 -8.422
47 HD21 LEU 6 1HD2 LEU 6 -0.402 -6.713 -7.934
48 HD22 LEU 6 2HD2 LEU 6 -1.478 -7.770 -8.849
49 HD23 LEU 6 3HD2 LEU 6 0.266 -7.850 -9.104
50 H LYS 7 H LYS 7 -3.413 -8.129 -4.111
51 HA LYS 7 HA LYS 7 -5.053 -5.991 -5.036
52 HB2 LYS 7 2HB LYS 7 -5.678 -8.392 -4.185
53 HB3 LYS 7 1HB LYS 7 -5.738 -7.597 -2.613
54 HG2 LYS 7 2HG LYS 7 -7.915 -7.255 -3.339
55 HG3 LYS 7 1HG LYS 7 -7.156 -5.786 -3.931
56 HD2 LYS 7 2HD LYS 7 -6.908 -6.748 -6.150
57 HD3 LYS 7 1HD LYS 7 -7.500 -8.308 -5.580
58 HE2 LYS 7 2HE LYS 7 -9.696 -7.461 -5.221
59 HE3 LYS 7 1HE LYS 7 -9.154 -5.789 -5.362
60 HZ1 LYS 7 1HZ LYS 7 -10.291 -6.701 -7.368
61 HZ2 LYS 7 2HZ LYS 7 -8.974 -7.755 -7.574
62 HZ3 LYS 7 3HZ LYS 7 -8.743 -6.074 -7.661
63 H GLY 8 H GLY 8 -3.031 -6.501 -2.238
64 HA2 GLY 8 2HA GLY 8 -4.164 -4.365 -0.672
65 HA3 GLY 8 1HA GLY 8 -2.665 -5.226 -0.337
66 H ALA 9 H ALA 9 -2.240 -4.427 -3.411
67 HA ALA 9 HA ALA 9 -0.333 -2.422 -2.943
68 HB1 ALA 9 1HB ALA 9 -1.794 -3.055 -5.517
69 HB2 ALA 9 2HB ALA 9 -0.334 -3.863 -4.944
70 HB3 ALA 9 3HB ALA 9 -0.284 -2.155 -5.379
71 H ALA 10 H ALA 10 -3.765 -2.248 -3.505
72 HA ALA 10 HA ALA 10 -3.960 0.433 -4.351
73 HB1 ALA 10 1HB ALA 10 -5.803 -1.278 -4.419
74 HB2 ALA 10 2HB ALA 10 -6.287 0.283 -3.756
75 HB3 ALA 10 3HB ALA 10 -5.975 -1.075 -2.675
76 H LYS 11 H LYS 11 -4.379 -0.961 -1.091
77 HA LYS 11 HA LYS 11 -4.519 1.566 0.186
78 HB2 LYS 11 2HB LYS 11 -5.343 -0.767 1.008
79 HB3 LYS 11 1HB LYS 11 -3.701 -0.910 1.623
80 HG2 LYS 11 2HG LYS 11 -4.003 1.286 2.796
81 HG3 LYS 11 1HG LYS 11 -5.694 1.266 2.292
82 HD2 LYS 11 2HD LYS 11 -5.981 -0.922 3.453
83 HD3 LYS 11 1HD LYS 11 -4.317 -0.804 4.028
84 HE2 LYS 11 2HE LYS 11 -6.515 1.205 4.604
85 HE3 LYS 11 1HE LYS 11 -5.916 -0.005 5.739
86 HZ1 LYS 11 1HZ LYS 11 -4.229 1.306 6.263
87 HZ2 LYS 11 2HZ LYS 11 -4.902 2.530 5.295
88 HZ3 LYS 11 3HZ LYS 11 -3.761 1.455 4.639
89 H ASP 12 H ASP 12 -1.941 -0.466 -0.808
90 HA ASP 12 HA ASP 12 0.105 0.335 0.922
91 HB2 ASP 12 2HB ASP 12 0.215 -1.474 -0.855
92 HB3 ASP 12 1HB ASP 12 0.443 -0.185 -2.037
93 H ILE 13 H ILE 13 -1.526 1.994 -1.641
94 HA ILE 13 HA ILE 13 0.399 3.956 -2.280
95 HB ILE 13 HB ILE 13 -2.621 4.187 -2.286
96 HG12 ILE 13 2HG1 ILE 13 -0.747 3.508 -4.571
97 HG13 ILE 13 1HG1 ILE 13 -1.579 2.277 -3.609
98 HG21 ILE 13 1HG2 ILE 13 -1.629 6.379 -2.458
99 HG22 ILE 13 2HG2 ILE 13 -2.109 5.894 -4.085
100 HG23 ILE 13 3HG2 ILE 13 -0.417 5.798 -3.600
101 HD11 ILE 13 1HD1 ILE 13 -2.780 2.934 -5.737
102 HD12 ILE 13 2HD1 ILE 13 -3.015 4.534 -5.032
103 HD13 ILE 13 3HD1 ILE 13 -3.739 3.119 -4.269
104 H ALA 14 H ALA 14 -2.350 4.116 -0.006
105 HA ALA 14 HA ALA 14 -1.744 6.660 1.029
106 HB1 ALA 14 1HB ALA 14 -3.223 6.047 2.890
107 HB2 ALA 14 2HB ALA 14 -3.167 4.358 2.382
108 HB3 ALA 14 3HB ALA 14 -3.926 5.566 1.345
109 H GLY 15 H GLY 15 -0.403 3.537 1.642
110 HA2 GLY 15 2HA GLY 15 0.757 4.119 4.196
111 HA3 GLY 15 1HA GLY 15 1.174 2.768 3.146
112 H HIS 16 H HIS 16 1.903 4.245 0.844
113 HA HIS 16 HA HIS 16 4.607 4.747 1.318
114 HB2 HIS 16 2HB HIS 16 3.902 4.247 -0.899
115 HB3 HIS 16 1HB HIS 16 2.795 5.610 -0.907
116 HD2 HIS 16 2HD HIS 16 3.978 7.438 -2.615
117 HE1 HIS 16 1HE HIS 16 7.918 7.164 -1.124
118 HE2 HIS 16 2HE HIS 16 6.411 8.372 -2.772
119 H LEU 17 H LEU 17 1.934 7.055 0.891
120 HA LEU 17 HA LEU 17 3.474 9.382 1.279
121 HB2 LEU 17 2HB LEU 17 0.575 8.682 1.305
122 HB3 LEU 17 1HB LEU 17 1.047 10.222 2.018
123 HG LEU 17 HG LEU 17 2.293 9.650 -0.614
124 HD11 LEU 17 1HD1 LEU 17 -0.683 10.190 -0.382
125 HD12 LEU 17 2HD1 LEU 17 0.049 8.704 -0.987
126 HD13 LEU 17 3HD1 LEU 17 0.251 10.213 -1.878
127 HD21 LEU 17 1HD2 LEU 17 1.981 11.985 -0.924
128 HD22 LEU 17 2HD2 LEU 17 2.326 11.819 0.797
129 HD23 LEU 17 3HD2 LEU 17 0.665 12.049 0.251
130 H ALA 18 H ALA 18 1.853 7.214 3.449
131 HA ALA 18 HA ALA 18 1.984 8.803 5.790
132 HB1 ALA 18 1HB ALA 18 1.936 5.786 5.584
133 HB2 ALA 18 2HB ALA 18 0.504 6.815 5.524
134 HB3 ALA 18 3HB ALA 18 1.485 6.753 6.989
135 H SER 19 H SER 19 4.172 6.621 4.203
136 HA SER 19 HA SER 19 5.991 6.272 6.321
137 HB2 SER 19 2HB SER 19 7.151 6.151 3.631
138 HB3 SER 19 1HB SER 19 7.055 4.910 4.875
139 HG SER 19 HG SER 19 5.779 4.480 2.977
140 H LYS 20 H LYS 20 5.968 8.585 3.603
141 HA LYS 20 HA LYS 20 8.446 9.784 4.425
142 HB2 LYS 20 2HB LYS 20 8.254 11.101 2.506
143 HB3 LYS 20 1HB LYS 20 7.426 9.625 2.066
144 HG2 LYS 20 2HG LYS 20 5.272 10.617 2.620
145 HG3 LYS 20 1HG LYS 20 6.107 12.086 3.061
146 HD2 LYS 20 2HD LYS 20 7.110 11.974 0.654
147 HD3 LYS 20 1HD LYS 20 5.747 10.901 0.337
148 HE2 LYS 20 2HE LYS 20 4.866 13.000 -0.215
149 HE3 LYS 20 1HE LYS 20 4.325 12.797 1.451
150 HZ1 LYS 20 1HZ LYS 20 5.373 14.677 1.908
151 HZ2 LYS 20 2HZ LYS 20 6.072 14.748 0.361
152 HZ3 LYS 20 3HZ LYS 20 6.846 13.892 1.608
153 H VAL 21 H VAL 21 5.057 10.815 4.421
154 HA VAL 21 HA VAL 21 5.396 13.319 5.592
155 HB VAL 21 HB VAL 21 3.256 12.168 4.647
156 HG11 VAL 21 1HG1 VAL 21 3.437 10.393 6.529
157 HG12 VAL 21 2HG1 VAL 21 1.844 11.072 6.188
158 HG13 VAL 21 3HG1 VAL 21 2.768 11.643 7.578
159 HG21 VAL 21 1HG2 VAL 21 3.318 14.028 7.037
160 HG22 VAL 21 2HG2 VAL 21 1.845 13.687 6.128
161 HG23 VAL 21 3HG2 VAL 21 3.212 14.469 5.333
162 H MET 22 H MET 22 5.799 10.211 6.966
163 HA MET 22 HA MET 22 5.799 11.339 9.703
164 HB2 MET 22 2HB MET 22 4.299 9.341 9.138
165 HB3 MET 22 1HB MET 22 5.789 8.406 8.998
166 HG2 MET 22 2HG MET 22 6.406 9.006 11.297
167 HG3 MET 22 1HG MET 22 4.954 9.996 11.443
168 HE1 MET 22 1HE MET 22 5.436 5.493 11.709
169 HE2 MET 22 2HE MET 22 6.518 6.772 12.257
170 HE3 MET 22 3HE MET 22 6.302 6.490 10.532
171 HN1 NH2 23 HN1 NH2 23 7.688 9.170 7.537
172 HN2 NH2 23 HN2 NH2 23 9.165 9.405 8.357
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -4.297 -15.607 -5.172
2 H2 GLY 1 2HT GLY 1 -4.975 -16.042 -3.676
3 H3 GLY 1 3HT GLY 1 -4.322 -17.234 -4.696
4 HA2 GLY 1 2HA GLY 1 -3.005 -16.176 -2.639
5 HA3 GLY 1 1HA GLY 1 -2.216 -16.843 -4.068
6 H VAL 2 H VAL 2 -2.324 -15.155 -6.000
7 HA VAL 2 HA VAL 2 -0.589 -13.058 -5.382
8 HB VAL 2 HB VAL 2 -1.254 -12.152 -7.637
9 HG11 VAL 2 1HG1 VAL 2 0.506 -13.893 -7.319
10 HG12 VAL 2 2HG1 VAL 2 -0.334 -14.055 -8.862
11 HG13 VAL 2 3HG1 VAL 2 -0.727 -15.137 -7.526
12 HG21 VAL 2 1HG2 VAL 2 -2.811 -13.535 -8.973
13 HG22 VAL 2 2HG2 VAL 2 -3.620 -12.855 -7.562
14 HG23 VAL 2 3HG2 VAL 2 -3.120 -14.547 -7.562
15 H VAL 3 H VAL 3 -4.095 -13.182 -5.426
16 HA VAL 3 HA VAL 3 -4.666 -10.436 -5.411
17 HB VAL 3 HB VAL 3 -6.378 -12.189 -5.701
18 HG11 VAL 3 1HG1 VAL 3 -6.073 -12.637 -2.719
19 HG12 VAL 3 2HG1 VAL 3 -5.400 -13.712 -3.944
20 HG13 VAL 3 3HG1 VAL 3 -7.147 -13.500 -3.821
21 HG21 VAL 3 1HG2 VAL 3 -6.969 -9.880 -4.909
22 HG22 VAL 3 2HG2 VAL 3 -6.908 -10.480 -3.251
23 HG23 VAL 3 3HG2 VAL 3 -8.109 -11.114 -4.374
24 H ASP 4 H ASP 4 -3.696 -12.621 -2.828
25 HA ASP 4 HA ASP 4 -4.272 -10.961 -0.628
26 HB2 ASP 4 2HB ASP 4 -3.599 -13.419 -0.600
27 HB3 ASP 4 1HB ASP 4 -1.936 -12.866 -0.790
28 H ILE 5 H ILE 5 -1.403 -11.218 -2.692
29 HA ILE 5 HA ILE 5 0.146 -9.341 -1.228
30 HB ILE 5 HB ILE 5 0.498 -10.034 -4.112
31 HG12 ILE 5 2HG1 ILE 5 1.689 -11.544 -1.780
32 HG13 ILE 5 1HG1 ILE 5 0.199 -12.066 -2.578
33 HG21 ILE 5 1HG2 ILE 5 1.893 -8.213 -3.203
34 HG22 ILE 5 2HG2 ILE 5 2.870 -9.628 -3.594
35 HG23 ILE 5 3HG2 ILE 5 2.444 -9.285 -1.918
36 HD11 ILE 5 1HD1 ILE 5 1.435 -12.071 -4.757
37 HD12 ILE 5 2HD1 ILE 5 2.064 -13.238 -3.594
38 HD13 ILE 5 3HD1 ILE 5 2.918 -11.719 -3.869
39 H LEU 6 H LEU 6 -1.768 -9.162 -4.149
40 HA LEU 6 HA LEU 6 -1.258 -6.522 -4.880
41 HB2 LEU 6 2HB LEU 6 -3.281 -8.554 -5.472
42 HB3 LEU 6 1HB LEU 6 -3.937 -6.915 -5.535
43 HG LEU 6 HG LEU 6 -1.331 -7.594 -6.903
44 HD11 LEU 6 1HD1 LEU 6 -4.131 -7.861 -8.039
45 HD12 LEU 6 2HD1 LEU 6 -2.997 -9.182 -7.758
46 HD13 LEU 6 3HD1 LEU 6 -2.641 -7.959 -8.978
47 HD21 LEU 6 1HD2 LEU 6 -3.484 -5.493 -7.314
48 HD22 LEU 6 2HD2 LEU 6 -2.069 -5.684 -8.348
49 HD23 LEU 6 3HD2 LEU 6 -1.869 -5.223 -6.659
50 H LYS 7 H LYS 7 -3.636 -7.823 -2.594
51 HA LYS 7 HA LYS 7 -4.972 -5.407 -2.045
52 HB2 LYS 7 2HB LYS 7 -5.557 -7.852 -1.368
53 HB3 LYS 7 1HB LYS 7 -4.558 -7.540 0.038
54 HG2 LYS 7 2HG LYS 7 -6.698 -5.561 -0.720
55 HG3 LYS 7 1HG LYS 7 -7.152 -7.043 0.117
56 HD2 LYS 7 2HD LYS 7 -6.360 -6.273 2.088
57 HD3 LYS 7 1HD LYS 7 -4.826 -5.819 1.356
58 HE2 LYS 7 2HE LYS 7 -6.002 -3.849 2.292
59 HE3 LYS 7 1HE LYS 7 -5.807 -3.718 0.545
60 HZ1 LYS 7 1HZ LYS 7 -8.241 -4.411 2.072
61 HZ2 LYS 7 2HZ LYS 7 -8.095 -4.771 0.418
62 HZ3 LYS 7 3HZ LYS 7 -8.021 -3.159 0.950
63 H GLY 8 H GLY 8 -2.112 -6.905 -0.592
64 HA2 GLY 8 2HA GLY 8 -1.784 -4.898 1.432
65 HA3 GLY 8 1HA GLY 8 -0.598 -6.113 0.966
66 H ALA 9 H ALA 9 -0.219 -5.552 -1.699
67 HA ALA 9 HA ALA 9 1.636 -3.448 -1.640
68 HB1 ALA 9 1HB ALA 9 1.748 -3.715 -4.072
69 HB2 ALA 9 2HB ALA 9 0.253 -4.651 -4.050
70 HB3 ALA 9 3HB ALA 9 1.705 -5.292 -3.282
71 H ALA 10 H ALA 10 -1.766 -3.531 -2.516
72 HA ALA 10 HA ALA 10 -1.933 -1.025 -3.796
73 HB1 ALA 10 1HB ALA 10 -3.740 -2.661 -3.925
74 HB2 ALA 10 2HB ALA 10 -4.345 -1.149 -3.249
75 HB3 ALA 10 3HB ALA 10 -4.019 -2.521 -2.189
76 H LYS 11 H LYS 11 -2.688 -1.914 -0.421
77 HA LYS 11 HA LYS 11 -3.081 0.748 0.439
78 HB2 LYS 11 2HB LYS 11 -3.878 -1.403 1.571
79 HB3 LYS 11 1HB LYS 11 -2.248 -1.499 2.224
80 HG2 LYS 11 2HG LYS 11 -2.513 0.780 3.180
81 HG3 LYS 11 1HG LYS 11 -4.177 0.803 2.594
82 HD2 LYS 11 2HD LYS 11 -4.819 -0.982 4.035
83 HD3 LYS 11 1HD LYS 11 -3.142 -1.385 4.405
84 HE2 LYS 11 2HE LYS 11 -4.405 1.275 5.116
85 HE3 LYS 11 1HE LYS 11 -4.346 -0.096 6.224
86 HZ1 LYS 11 1HZ LYS 11 -1.805 0.387 5.048
87 HZ2 LYS 11 2HZ LYS 11 -2.237 0.330 6.690
88 HZ3 LYS 11 3HZ LYS 11 -2.380 1.782 5.821
89 H ASP 12 H ASP 12 -0.284 -1.185 -0.027
90 HA ASP 12 HA ASP 12 1.538 0.040 1.707
91 HB2 ASP 12 2HB ASP 12 1.892 -2.002 0.191
92 HB3 ASP 12 1HB ASP 12 2.229 -0.843 -1.094
93 H ILE 13 H ILE 13 0.020 1.143 -1.201
94 HA ILE 13 HA ILE 13 1.895 3.245 -1.786
95 HB ILE 13 HB ILE 13 -0.975 2.851 -2.672
96 HG12 ILE 13 2HG1 ILE 13 1.600 2.324 -4.184
97 HG13 ILE 13 1HG1 ILE 13 0.741 1.067 -3.281
98 HG21 ILE 13 1HG2 ILE 13 -0.449 5.146 -3.013
99 HG22 ILE 13 2HG2 ILE 13 -0.138 4.374 -4.567
100 HG23 ILE 13 3HG2 ILE 13 1.206 4.776 -3.498
101 HD11 ILE 13 1HD1 ILE 13 -0.494 2.748 -5.485
102 HD12 ILE 13 2HD1 ILE 13 -1.258 1.403 -4.638
103 HD13 ILE 13 3HD1 ILE 13 0.119 1.108 -5.700
104 H ALA 14 H ALA 14 -1.394 3.193 -0.392
105 HA ALA 14 HA ALA 14 -1.545 5.928 0.207
106 HB1 ALA 14 1HB ALA 14 -3.425 4.205 0.258
107 HB2 ALA 14 2HB ALA 14 -3.418 5.388 1.566
108 HB3 ALA 14 3HB ALA 14 -2.827 3.751 1.854
109 H GLY 15 H GLY 15 0.115 3.331 1.766
110 HA2 GLY 15 2HA GLY 15 0.445 4.604 4.321
111 HA3 GLY 15 1HA GLY 15 1.325 3.194 3.735
112 H HIS 16 H HIS 16 2.328 4.386 1.340
113 HA HIS 16 HA HIS 16 4.747 5.451 2.210
114 HB2 HIS 16 2HB HIS 16 4.547 4.508 0.010
115 HB3 HIS 16 1HB HIS 16 3.360 5.724 -0.435
116 HD2 HIS 16 2HD HIS 16 4.809 7.289 -2.223
117 HE1 HIS 16 1HE HIS 16 8.208 7.898 0.205
118 HE2 HIS 16 2HE HIS 16 7.096 8.528 -1.989
119 H LEU 17 H LEU 17 1.841 7.124 1.044
120 HA LEU 17 HA LEU 17 2.827 9.730 1.102
121 HB2 LEU 17 2HB LEU 17 0.083 8.539 1.402
122 HB3 LEU 17 1HB LEU 17 0.340 10.277 1.497
123 HG LEU 17 HG LEU 17 1.597 10.043 -0.742
124 HD11 LEU 17 1HD1 LEU 17 0.186 7.369 -0.564
125 HD12 LEU 17 2HD1 LEU 17 1.903 7.663 -0.836
126 HD13 LEU 17 3HD1 LEU 17 0.730 8.069 -2.087
127 HD21 LEU 17 1HD2 LEU 17 -0.622 11.075 -0.564
128 HD22 LEU 17 2HD2 LEU 17 -1.382 9.483 -0.588
129 HD23 LEU 17 3HD2 LEU 17 -0.538 10.079 -2.018
130 H ALA 18 H ALA 18 1.382 7.758 3.591
131 HA ALA 18 HA ALA 18 1.213 9.751 5.596
132 HB1 ALA 18 1HB ALA 18 1.547 6.785 6.053
133 HB2 ALA 18 2HB ALA 18 0.012 7.517 5.590
134 HB3 ALA 18 3HB ALA 18 0.774 7.958 7.118
135 H SER 19 H SER 19 3.701 7.575 4.521
136 HA SER 19 HA SER 19 5.441 7.978 6.734
137 HB2 SER 19 2HB SER 19 5.871 5.991 5.590
138 HB3 SER 19 1HB SER 19 5.733 6.759 4.012
139 HG SER 19 HG SER 19 7.831 6.892 5.898
140 H LYS 20 H LYS 20 5.348 9.277 3.414
141 HA LYS 20 HA LYS 20 7.626 10.860 3.553
142 HB2 LYS 20 2HB LYS 20 5.593 10.247 1.737
143 HB3 LYS 20 1HB LYS 20 5.500 11.972 1.943
144 HG2 LYS 20 2HG LYS 20 8.011 12.040 1.596
145 HG3 LYS 20 1HG LYS 20 7.846 10.360 1.111
146 HD2 LYS 20 2HD LYS 20 6.094 11.130 -0.566
147 HD3 LYS 20 1HD LYS 20 6.621 12.775 -0.213
148 HE2 LYS 20 2HE LYS 20 8.141 10.548 -1.542
149 HE3 LYS 20 1HE LYS 20 7.961 12.228 -2.050
150 HZ1 LYS 20 1HZ LYS 20 9.482 12.953 -0.487
151 HZ2 LYS 20 2HZ LYS 20 10.168 11.490 -1.011
152 HZ3 LYS 20 3HZ LYS 20 9.338 11.560 0.469
153 H VAL 21 H VAL 21 4.209 11.740 4.117
154 HA VAL 21 HA VAL 21 4.731 14.430 4.814
155 HB VAL 21 HB VAL 21 2.499 13.533 4.136
156 HG11 VAL 21 1HG1 VAL 21 2.766 11.482 5.652
157 HG12 VAL 21 2HG1 VAL 21 1.183 12.257 5.658
158 HG13 VAL 21 3HG1 VAL 21 2.309 12.541 6.986
159 HG21 VAL 21 1HG2 VAL 21 2.470 14.834 6.875
160 HG22 VAL 21 2HG2 VAL 21 1.248 14.980 5.612
161 HG23 VAL 21 3HG2 VAL 21 2.839 15.708 5.389
162 H MET 22 H MET 22 5.183 11.501 6.513
163 HA MET 22 HA MET 22 5.209 12.837 9.133
164 HB2 MET 22 2HB MET 22 4.063 10.625 8.865
165 HB3 MET 22 1HB MET 22 5.632 9.910 8.496
166 HG2 MET 22 2HG MET 22 6.496 10.559 10.674
167 HG3 MET 22 1HG MET 22 5.009 11.434 11.040
168 HE1 MET 22 1HE MET 22 3.290 10.459 12.515
169 HE2 MET 22 2HE MET 22 4.874 10.221 13.252
170 HE3 MET 22 3HE MET 22 3.672 8.935 13.330
171 HN1 NH2 23 HN1 NH2 23 7.403 10.431 7.567
172 HN2 NH2 23 HN2 NH2 23 8.835 11.197 8.089
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -0.143 -16.696 -2.219
2 H2 GLY 1 2HT GLY 1 -1.542 -17.462 -1.634
3 H3 GLY 1 3HT GLY 1 -0.156 -17.358 -0.658
4 HA2 GLY 1 2HA GLY 1 -2.272 -15.637 -0.635
5 HA3 GLY 1 1HA GLY 1 -0.689 -15.348 0.089
6 H VAL 2 H VAL 2 -1.281 -15.720 -3.361
7 HA VAL 2 HA VAL 2 0.159 -13.379 -4.040
8 HB VAL 2 HB VAL 2 -1.801 -15.014 -5.668
9 HG11 VAL 2 1HG1 VAL 2 -1.587 -12.876 -6.728
10 HG12 VAL 2 2HG1 VAL 2 -0.499 -13.963 -7.590
11 HG13 VAL 2 3HG1 VAL 2 0.147 -12.821 -6.412
12 HG21 VAL 2 1HG2 VAL 2 0.116 -16.320 -4.915
13 HG22 VAL 2 2HG2 VAL 2 1.223 -15.041 -5.414
14 HG23 VAL 2 3HG2 VAL 2 0.319 -15.947 -6.627
15 H VAL 3 H VAL 3 -3.319 -14.077 -3.863
16 HA VAL 3 HA VAL 3 -4.264 -11.618 -4.828
17 HB VAL 3 HB VAL 3 -5.720 -13.564 -4.518
18 HG11 VAL 3 1HG1 VAL 3 -4.629 -14.343 -2.400
19 HG12 VAL 3 2HG1 VAL 3 -6.388 -14.289 -2.291
20 HG13 VAL 3 3HG1 VAL 3 -5.420 -13.015 -1.550
21 HG21 VAL 3 1HG2 VAL 3 -7.633 -12.384 -3.687
22 HG22 VAL 3 2HG2 VAL 3 -6.592 -11.165 -4.421
23 HG23 VAL 3 3HG2 VAL 3 -6.635 -11.348 -2.667
24 H ASP 4 H ASP 4 -3.025 -12.552 -1.692
25 HA ASP 4 HA ASP 4 -4.010 -10.398 -0.162
26 HB2 ASP 4 2HB ASP 4 -2.905 -12.487 0.720
27 HB3 ASP 4 1HB ASP 4 -1.360 -11.798 0.228
28 H ILE 5 H ILE 5 -1.030 -10.772 -2.055
29 HA ILE 5 HA ILE 5 0.085 -8.268 -1.372
30 HB ILE 5 HB ILE 5 0.559 -9.755 -3.920
31 HG12 ILE 5 2HG1 ILE 5 2.083 -10.164 -1.344
32 HG13 ILE 5 1HG1 ILE 5 0.700 -11.180 -1.777
33 HG21 ILE 5 1HG2 ILE 5 2.285 -7.938 -2.223
34 HG22 ILE 5 2HG2 ILE 5 1.559 -7.522 -3.776
35 HG23 ILE 5 3HG2 ILE 5 2.816 -8.756 -3.692
36 HD11 ILE 5 1HD1 ILE 5 1.822 -11.728 -3.933
37 HD12 ILE 5 2HD1 ILE 5 2.757 -12.254 -2.533
38 HD13 ILE 5 3HD1 ILE 5 3.226 -10.798 -3.410
39 H LEU 6 H LEU 6 -1.836 -9.354 -4.083
40 HA LEU 6 HA LEU 6 -1.861 -7.023 -5.608
41 HB2 LEU 6 2HB LEU 6 -3.370 -9.498 -5.481
42 HB3 LEU 6 1HB LEU 6 -4.442 -8.141 -5.850
43 HG LEU 6 HG LEU 6 -1.824 -8.575 -7.309
44 HD11 LEU 6 1HD1 LEU 6 -4.593 -9.607 -7.985
45 HD12 LEU 6 2HD1 LEU 6 -3.149 -10.573 -7.679
46 HD13 LEU 6 3HD1 LEU 6 -3.247 -9.567 -9.124
47 HD21 LEU 6 1HD2 LEU 6 -3.166 -7.250 -9.055
48 HD22 LEU 6 2HD2 LEU 6 -2.662 -6.360 -7.622
49 HD23 LEU 6 3HD2 LEU 6 -4.324 -6.929 -7.766
50 H LYS 7 H LYS 7 -3.955 -7.985 -2.910
51 HA LYS 7 HA LYS 7 -5.634 -5.694 -3.029
52 HB2 LYS 7 2HB LYS 7 -5.945 -8.018 -1.842
53 HB3 LYS 7 1HB LYS 7 -5.173 -7.194 -0.489
54 HG2 LYS 7 2HG LYS 7 -7.397 -6.661 -0.092
55 HG3 LYS 7 1HG LYS 7 -6.916 -5.282 -1.065
56 HD2 LYS 7 2HD LYS 7 -7.882 -6.248 -3.050
57 HD3 LYS 7 1HD LYS 7 -8.163 -7.786 -2.231
58 HE2 LYS 7 2HE LYS 7 -10.162 -6.138 -2.480
59 HE3 LYS 7 1HE LYS 7 -9.906 -6.915 -0.919
60 HZ1 LYS 7 1HZ LYS 7 -8.762 -4.269 -1.598
61 HZ2 LYS 7 2HZ LYS 7 -8.888 -4.991 -0.065
62 HZ3 LYS 7 3HZ LYS 7 -10.283 -4.448 -0.869
63 H GLY 8 H GLY 8 -2.505 -6.321 -1.691
64 HA2 GLY 8 2HA GLY 8 -2.547 -4.060 0.129
65 HA3 GLY 8 1HA GLY 8 -1.172 -5.107 -0.212
66 H ALA 9 H ALA 9 -1.783 -4.651 -3.181
67 HA ALA 9 HA ALA 9 0.175 -2.765 -3.743
68 HB1 ALA 9 1HB ALA 9 -2.230 -3.336 -5.488
69 HB2 ALA 9 2HB ALA 9 -0.833 -4.407 -5.363
70 HB3 ALA 9 3HB ALA 9 -0.640 -2.777 -6.009
71 H ALA 10 H ALA 10 -3.322 -2.318 -3.385
72 HA ALA 10 HA ALA 10 -3.421 0.393 -4.152
73 HB1 ALA 10 1HB ALA 10 -5.384 -1.184 -3.839
74 HB2 ALA 10 2HB ALA 10 -5.597 0.434 -3.170
75 HB3 ALA 10 3HB ALA 10 -5.213 -0.918 -2.104
76 H LYS 11 H LYS 11 -3.183 -1.103 -0.926
77 HA LYS 11 HA LYS 11 -2.956 1.346 0.466
78 HB2 LYS 11 2HB LYS 11 -3.685 -0.612 1.651
79 HB3 LYS 11 1HB LYS 11 -2.192 -1.444 1.243
80 HG2 LYS 11 2HG LYS 11 -0.886 -0.028 2.641
81 HG3 LYS 11 1HG LYS 11 -2.202 1.136 2.806
82 HD2 LYS 11 2HD LYS 11 -3.528 -0.510 4.056
83 HD3 LYS 11 1HD LYS 11 -2.245 -1.706 3.863
84 HE2 LYS 11 2HE LYS 11 -2.258 -0.469 6.089
85 HE3 LYS 11 1HE LYS 11 -0.730 -0.432 5.210
86 HZ1 LYS 11 1HZ LYS 11 -1.277 1.760 5.998
87 HZ2 LYS 11 2HZ LYS 11 -2.796 1.700 5.238
88 HZ3 LYS 11 3HZ LYS 11 -1.377 1.734 4.305
89 H ASP 12 H ASP 12 -0.713 -0.608 -1.249
90 HA ASP 12 HA ASP 12 1.702 0.130 -0.041
91 HB2 ASP 12 2HB ASP 12 1.329 -1.576 -1.910
92 HB3 ASP 12 1HB ASP 12 1.332 -0.207 -3.020
93 H ILE 13 H ILE 13 -0.519 1.887 -2.031
94 HA ILE 13 HA ILE 13 1.371 4.012 -2.665
95 HB ILE 13 HB ILE 13 -1.621 3.830 -3.097
96 HG12 ILE 13 2HG1 ILE 13 0.647 3.486 -5.084
97 HG13 ILE 13 1HG1 ILE 13 -0.166 2.127 -4.291
98 HG21 ILE 13 1HG2 ILE 13 -0.952 6.141 -3.095
99 HG22 ILE 13 2HG2 ILE 13 -1.101 5.653 -4.784
100 HG23 ILE 13 3HG2 ILE 13 0.494 5.783 -4.041
101 HD11 ILE 13 1HD1 ILE 13 -1.604 4.249 -5.912
102 HD12 ILE 13 2HD1 ILE 13 -2.298 2.768 -5.253
103 HD13 ILE 13 3HD1 ILE 13 -1.111 2.682 -6.555
104 H ALA 14 H ALA 14 -1.663 3.743 -0.798
105 HA ALA 14 HA ALA 14 -1.587 6.314 0.323
106 HB1 ALA 14 1HB ALA 14 -3.536 4.693 0.340
107 HB2 ALA 14 2HB ALA 14 -3.245 5.538 1.860
108 HB3 ALA 14 3HB ALA 14 -2.728 3.863 1.670
109 H GLY 15 H GLY 15 0.154 3.429 1.091
110 HA2 GLY 15 2HA GLY 15 0.916 4.173 3.758
111 HA3 GLY 15 1HA GLY 15 1.632 2.889 2.789
112 H HIS 16 H HIS 16 2.273 4.590 0.537
113 HA HIS 16 HA HIS 16 4.854 5.430 1.275
114 HB2 HIS 16 2HB HIS 16 4.501 4.842 -0.989
115 HB3 HIS 16 1HB HIS 16 3.159 5.968 -1.133
116 HD2 HIS 16 2HD HIS 16 3.974 8.278 -2.392
117 HE1 HIS 16 1HE HIS 16 8.010 8.258 -1.152
118 HE2 HIS 16 2HE HIS 16 6.274 9.508 -2.520
119 H LEU 17 H LEU 17 1.840 7.226 0.799
120 HA LEU 17 HA LEU 17 2.927 9.805 1.120
121 HB2 LEU 17 2HB LEU 17 0.199 8.590 1.275
122 HB3 LEU 17 1HB LEU 17 0.425 10.230 1.871
123 HG LEU 17 HG LEU 17 1.666 9.707 -0.769
124 HD11 LEU 17 1HD1 LEU 17 -1.333 9.593 -0.366
125 HD12 LEU 17 2HD1 LEU 17 -0.310 8.381 -1.136
126 HD13 LEU 17 3HD1 LEU 17 -0.574 9.938 -1.919
127 HD21 LEU 17 1HD2 LEU 17 0.780 11.914 -1.245
128 HD22 LEU 17 2HD2 LEU 17 1.462 11.948 0.381
129 HD23 LEU 17 3HD2 LEU 17 -0.284 11.840 0.158
130 H ALA 18 H ALA 18 1.724 7.427 3.357
131 HA ALA 18 HA ALA 18 1.652 9.061 5.670
132 HB1 ALA 18 1HB ALA 18 1.750 6.851 6.887
133 HB2 ALA 18 2HB ALA 18 1.912 6.071 5.315
134 HB3 ALA 18 3HB ALA 18 0.452 6.981 5.702
135 H SER 19 H SER 19 4.120 7.232 4.050
136 HA SER 19 HA SER 19 6.056 7.133 6.060
137 HB2 SER 19 2HB SER 19 7.572 6.518 4.382
138 HB3 SER 19 1HB SER 19 6.016 6.006 3.732
139 HG SER 19 HG SER 19 7.174 8.545 3.222
140 H LYS 20 H LYS 20 5.312 9.662 3.690
141 HA LYS 20 HA LYS 20 7.523 11.301 4.135
142 HB2 LYS 20 2HB LYS 20 5.208 11.250 2.561
143 HB3 LYS 20 1HB LYS 20 5.098 12.721 3.484
144 HG2 LYS 20 2HG LYS 20 7.499 13.192 2.812
145 HG3 LYS 20 1HG LYS 20 7.299 11.851 1.698
146 HD2 LYS 20 2HD LYS 20 5.361 12.991 0.663
147 HD3 LYS 20 1HD LYS 20 5.612 14.358 1.751
148 HE2 LYS 20 2HE LYS 20 6.690 14.942 -0.305
149 HE3 LYS 20 1HE LYS 20 7.979 14.503 0.816
150 HZ1 LYS 20 1HZ LYS 20 7.464 12.137 -0.239
151 HZ2 LYS 20 2HZ LYS 20 8.594 13.214 -0.911
152 HZ3 LYS 20 3HZ LYS 20 7.025 13.111 -1.556
153 H VAL 21 H VAL 21 4.228 11.476 5.527
154 HA VAL 21 HA VAL 21 4.966 13.616 7.296
155 HB VAL 21 HB VAL 21 2.659 13.293 6.349
156 HG11 VAL 21 1HG1 VAL 21 2.719 10.779 6.802
157 HG12 VAL 21 2HG1 VAL 21 1.227 11.606 7.243
158 HG13 VAL 21 3HG1 VAL 21 2.397 11.173 8.489
159 HG21 VAL 21 1HG2 VAL 21 3.139 14.709 8.348
160 HG22 VAL 21 2HG2 VAL 21 2.849 13.309 9.378
161 HG23 VAL 21 3HG2 VAL 21 1.535 13.978 8.411
162 H MET 22 H MET 22 5.082 10.188 7.408
163 HA MET 22 HA MET 22 5.065 10.011 10.304
164 HB2 MET 22 2HB MET 22 4.178 8.154 8.977
165 HB3 MET 22 1HB MET 22 5.738 7.957 8.183
166 HG2 MET 22 2HG MET 22 5.457 6.319 10.013
167 HG3 MET 22 1HG MET 22 6.788 7.424 10.349
168 HE1 MET 22 1HE MET 22 2.649 7.150 12.166
169 HE2 MET 22 2HE MET 22 3.219 6.646 10.578
170 HE3 MET 22 3HE MET 22 2.761 8.325 10.850
171 HN1 NH2 23 HN1 NH2 23 7.585 9.175 7.847
172 HN2 NH2 23 HN2 NH2 23 8.896 9.597 8.854
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -2.766 -17.677 -3.496
2 H2 GLY 1 2HT GLY 1 -2.534 -17.580 -1.815
3 H3 GLY 1 3HT GLY 1 -1.753 -16.480 -2.849
4 HA2 GLY 1 2HA GLY 1 -4.689 -16.629 -2.861
5 HA3 GLY 1 1HA GLY 1 -3.868 -15.747 -1.572
6 H VAL 2 H VAL 2 -5.279 -15.345 -4.492
7 HA VAL 2 HA VAL 2 -3.432 -13.608 -5.818
8 HB VAL 2 HB VAL 2 -6.435 -13.678 -6.156
9 HG11 VAL 2 1HG1 VAL 2 -5.251 -11.825 -7.272
10 HG12 VAL 2 2HG1 VAL 2 -5.857 -12.982 -8.458
11 HG13 VAL 2 3HG1 VAL 2 -4.147 -12.977 -8.023
12 HG21 VAL 2 1HG2 VAL 2 -4.317 -15.393 -7.495
13 HG22 VAL 2 2HG2 VAL 2 -6.044 -15.415 -7.850
14 HG23 VAL 2 3HG2 VAL 2 -5.460 -15.965 -6.280
15 H VAL 3 H VAL 3 -6.290 -13.076 -3.767
16 HA VAL 3 HA VAL 3 -6.336 -10.276 -3.883
17 HB VAL 3 HB VAL 3 -8.166 -11.596 -2.923
18 HG11 VAL 3 1HG1 VAL 3 -6.604 -13.260 -1.812
19 HG12 VAL 3 2HG1 VAL 3 -7.952 -12.721 -0.809
20 HG13 VAL 3 3HG1 VAL 3 -6.339 -12.055 -0.552
21 HG21 VAL 3 1HG2 VAL 3 -6.986 -9.865 -0.740
22 HG22 VAL 3 2HG2 VAL 3 -8.688 -10.108 -1.131
23 HG23 VAL 3 3HG2 VAL 3 -7.658 -9.180 -2.219
24 H ASP 4 H ASP 4 -4.406 -12.489 -1.953
25 HA ASP 4 HA ASP 4 -3.407 -10.724 -0.028
26 HB2 ASP 4 2HB ASP 4 -3.066 -13.204 -0.064
27 HB3 ASP 4 1HB ASP 4 -1.884 -12.977 -1.352
28 H ILE 5 H ILE 5 -2.191 -11.472 -3.284
29 HA ILE 5 HA ILE 5 0.074 -9.811 -3.188
30 HB ILE 5 HB ILE 5 -1.511 -10.490 -5.630
31 HG12 ILE 5 2HG1 ILE 5 0.774 -12.104 -4.488
32 HG13 ILE 5 1HG1 ILE 5 -0.912 -12.466 -4.092
33 HG21 ILE 5 1HG2 ILE 5 1.405 -9.841 -5.147
34 HG22 ILE 5 2HG2 ILE 5 0.235 -8.838 -6.005
35 HG23 ILE 5 3HG2 ILE 5 0.748 -10.379 -6.693
36 HD11 ILE 5 1HD1 ILE 5 -0.233 -13.842 -5.983
37 HD12 ILE 5 2HD1 ILE 5 0.318 -12.416 -6.863
38 HD13 ILE 5 3HD1 ILE 5 -1.401 -12.641 -6.537
39 H LEU 6 H LEU 6 -3.154 -9.264 -4.425
40 HA LEU 6 HA LEU 6 -2.784 -6.632 -5.335
41 HB2 LEU 6 2HB LEU 6 -5.053 -8.421 -4.761
42 HB3 LEU 6 1HB LEU 6 -5.430 -6.707 -4.565
43 HG LEU 6 HG LEU 6 -3.964 -7.676 -7.019
44 HD11 LEU 6 1HD1 LEU 6 -6.948 -7.720 -6.497
45 HD12 LEU 6 2HD1 LEU 6 -5.925 -9.068 -6.994
46 HD13 LEU 6 3HD1 LEU 6 -6.249 -7.746 -8.117
47 HD21 LEU 6 1HD2 LEU 6 -4.717 -5.638 -7.964
48 HD22 LEU 6 2HD2 LEU 6 -4.286 -5.201 -6.312
49 HD23 LEU 6 3HD2 LEU 6 -5.977 -5.439 -6.748
50 H LYS 7 H LYS 7 -3.382 -7.948 -2.155
51 HA LYS 7 HA LYS 7 -4.142 -5.516 -0.890
52 HB2 LYS 7 2HB LYS 7 -4.380 -7.998 -0.097
53 HB3 LYS 7 1HB LYS 7 -2.774 -7.732 0.579
54 HG2 LYS 7 2HG LYS 7 -4.163 -7.060 2.333
55 HG3 LYS 7 1HG LYS 7 -3.807 -5.533 1.544
56 HD2 LYS 7 2HD LYS 7 -5.932 -5.428 0.521
57 HD3 LYS 7 1HD LYS 7 -6.238 -7.148 0.769
58 HE2 LYS 7 2HE LYS 7 -7.357 -5.332 2.351
59 HE3 LYS 7 1HE LYS 7 -6.794 -6.870 3.002
60 HZ1 LYS 7 1HZ LYS 7 -4.578 -5.584 3.279
61 HZ2 LYS 7 2HZ LYS 7 -5.821 -5.370 4.417
62 HZ3 LYS 7 3HZ LYS 7 -5.565 -4.207 3.206
63 H GLY 8 H GLY 8 -1.106 -6.927 -1.800
64 HA2 GLY 8 2HA GLY 8 0.527 -5.373 -0.015
65 HA3 GLY 8 1HA GLY 8 1.089 -6.307 -1.399
66 H ALA 9 H ALA 9 -0.429 -5.122 -3.426
67 HA ALA 9 HA ALA 9 1.150 -2.919 -4.136
68 HB1 ALA 9 1HB ALA 9 -1.577 -3.768 -5.134
69 HB2 ALA 9 2HB ALA 9 -0.014 -4.201 -5.826
70 HB3 ALA 9 3HB ALA 9 -0.581 -2.532 -5.901
71 H ALA 10 H ALA 10 -2.143 -3.045 -2.796
72 HA ALA 10 HA ALA 10 -2.690 -0.299 -2.829
73 HB1 ALA 10 1HB ALA 10 -4.340 -0.790 -1.075
74 HB2 ALA 10 2HB ALA 10 -3.596 -2.367 -0.811
75 HB3 ALA 10 3HB ALA 10 -4.390 -2.011 -2.345
76 H LYS 11 H LYS 11 -1.221 -2.296 -0.273
77 HA LYS 11 HA LYS 11 -0.807 -0.138 1.513
78 HB2 LYS 11 2HB LYS 11 -0.915 -2.504 2.228
79 HB3 LYS 11 1HB LYS 11 0.624 -2.768 1.420
80 HG2 LYS 11 2HG LYS 11 1.764 -1.244 2.882
81 HG3 LYS 11 1HG LYS 11 0.242 -0.673 3.562
82 HD2 LYS 11 2HD LYS 11 1.053 -2.185 5.187
83 HD3 LYS 11 1HD LYS 11 -0.134 -3.128 4.289
84 HE2 LYS 11 2HE LYS 11 1.614 -4.176 2.968
85 HE3 LYS 11 1HE LYS 11 2.838 -3.134 3.694
86 HZ1 LYS 11 1HZ LYS 11 3.021 -5.031 4.948
87 HZ2 LYS 11 2HZ LYS 11 1.358 -5.375 4.890
88 HZ3 LYS 11 3HZ LYS 11 1.936 -4.129 5.890
89 H ASP 12 H ASP 12 0.932 -1.347 -1.191
90 HA ASP 12 HA ASP 12 3.522 -0.449 -0.628
91 HB2 ASP 12 2HB ASP 12 2.682 -1.821 -2.641
92 HB3 ASP 12 1HB ASP 12 2.270 -0.269 -3.366
93 H ILE 13 H ILE 13 0.610 1.245 -1.414
94 HA ILE 13 HA ILE 13 1.995 3.746 -2.039
95 HB ILE 13 HB ILE 13 -0.975 3.341 -1.676
96 HG12 ILE 13 2HG1 ILE 13 0.672 2.977 -4.203
97 HG13 ILE 13 1HG1 ILE 13 -0.076 1.664 -3.283
98 HG21 ILE 13 1HG2 ILE 13 -1.169 5.312 -2.998
99 HG22 ILE 13 2HG2 ILE 13 0.517 5.225 -3.511
100 HG23 ILE 13 3HG2 ILE 13 0.122 5.659 -1.847
101 HD11 ILE 13 1HD1 ILE 13 -1.503 3.947 -4.679
102 HD12 ILE 13 2HD1 ILE 13 -2.299 2.780 -3.623
103 HD13 ILE 13 3HD1 ILE 13 -1.549 2.240 -5.124
104 H ALA 14 H ALA 14 0.254 2.218 0.589
105 HA ALA 14 HA ALA 14 -0.349 4.387 2.206
106 HB1 ALA 14 1HB ALA 14 -1.010 2.048 2.691
107 HB2 ALA 14 2HB ALA 14 -0.267 2.833 4.086
108 HB3 ALA 14 3HB ALA 14 0.661 1.685 3.120
109 H GLY 15 H GLY 15 2.727 3.000 1.450
110 HA2 GLY 15 2HA GLY 15 4.169 4.121 3.666
111 HA3 GLY 15 1HA GLY 15 4.872 3.435 2.204
112 H HIS 16 H HIS 16 3.327 5.157 0.425
113 HA HIS 16 HA HIS 16 5.122 7.366 0.294
114 HB2 HIS 16 2HB HIS 16 4.241 6.433 -1.737
115 HB3 HIS 16 1HB HIS 16 2.598 6.741 -1.199
116 HD2 HIS 16 2HD HIS 16 2.249 8.563 -3.414
117 HE1 HIS 16 1HE HIS 16 4.865 11.492 -1.866
118 HE2 HIS 16 2HE HIS 16 3.103 11.022 -3.633
119 H LEU 17 H LEU 17 1.628 7.139 0.944
120 HA LEU 17 HA LEU 17 1.304 9.884 1.540
121 HB2 LEU 17 2HB LEU 17 -0.315 7.399 1.803
122 HB3 LEU 17 1HB LEU 17 -0.801 8.781 2.781
123 HG LEU 17 HG LEU 17 -0.196 9.412 -0.059
124 HD11 LEU 17 1HD1 LEU 17 -1.296 7.275 -0.406
125 HD12 LEU 17 2HD1 LEU 17 -2.431 8.566 -0.803
126 HD13 LEU 17 3HD1 LEU 17 -2.575 7.708 0.730
127 HD21 LEU 17 1HD2 LEU 17 -2.513 10.035 1.805
128 HD22 LEU 17 2HD2 LEU 17 -2.265 10.754 0.214
129 HD23 LEU 17 3HD2 LEU 17 -1.117 11.074 1.514
130 H ALA 18 H ALA 18 2.139 7.091 3.411
131 HA ALA 18 HA ALA 18 1.718 8.167 5.994
132 HB1 ALA 18 1HB ALA 18 3.382 6.361 6.674
133 HB2 ALA 18 2HB ALA 18 3.474 5.939 4.964
134 HB3 ALA 18 3HB ALA 18 1.941 5.801 5.825
135 H SER 19 H SER 19 4.322 8.307 3.697
136 HA SER 19 HA SER 19 6.331 9.271 5.416
137 HB2 SER 19 2HB SER 19 6.868 8.364 3.220
138 HB3 SER 19 1HB SER 19 5.967 9.660 2.440
139 HG SER 19 HG SER 19 8.490 9.646 3.479
140 H LYS 20 H LYS 20 3.887 10.931 3.447
141 HA LYS 20 HA LYS 20 4.801 13.539 3.789
142 HB2 LYS 20 2HB LYS 20 2.702 12.186 2.527
143 HB3 LYS 20 1HB LYS 20 1.928 13.290 3.628
144 HG2 LYS 20 2HG LYS 20 3.503 15.083 2.718
145 HG3 LYS 20 1HG LYS 20 3.853 13.906 1.462
146 HD2 LYS 20 2HD LYS 20 1.409 13.773 0.953
147 HD3 LYS 20 1HD LYS 20 1.145 15.078 2.112
148 HE2 LYS 20 2HE LYS 20 2.719 15.190 -0.471
149 HE3 LYS 20 1HE LYS 20 1.283 16.120 -0.039
150 HZ1 LYS 20 1HZ LYS 20 3.335 17.411 0.182
151 HZ2 LYS 20 2HZ LYS 20 3.909 16.305 1.336
152 HZ3 LYS 20 3HZ LYS 20 2.532 17.244 1.666
153 H VAL 21 H VAL 21 2.298 11.738 5.610
154 HA VAL 21 HA VAL 21 1.894 13.863 7.475
155 HB VAL 21 HB VAL 21 0.192 12.101 6.891
156 HG11 VAL 21 1HG1 VAL 21 1.769 10.391 8.828
157 HG12 VAL 21 2HG1 VAL 21 1.886 10.215 7.077
158 HG13 VAL 21 3HG1 VAL 21 0.349 9.928 7.891
159 HG21 VAL 21 1HG2 VAL 21 0.003 13.567 8.890
160 HG22 VAL 21 2HG2 VAL 21 0.899 12.373 9.830
161 HG23 VAL 21 3HG2 VAL 21 -0.691 11.971 9.178
162 H MET 22 H MET 22 4.141 11.274 7.221
163 HA MET 22 HA MET 22 4.867 11.358 10.052
164 HB2 MET 22 2HB MET 22 4.849 9.213 8.753
165 HB3 MET 22 1HB MET 22 6.192 9.837 7.796
166 HG2 MET 22 2HG MET 22 7.154 8.503 9.546
167 HG3 MET 22 1HG MET 22 7.442 10.188 9.980
168 HE1 MET 22 1HE MET 22 6.488 6.894 11.535
169 HE2 MET 22 2HE MET 22 6.657 7.714 13.085
170 HE3 MET 22 3HE MET 22 7.837 8.004 11.809
171 HN1 NH2 23 HN1 NH2 23 6.766 11.758 6.999
172 HN2 NH2 23 HN2 NH2 23 7.801 12.952 7.643
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -5.978 -16.687 -1.775
2 H2 GLY 1 2HT GLY 1 -6.457 -16.618 -3.404
3 H3 GLY 1 3HT GLY 1 -6.165 -15.186 -2.540
4 HA2 GLY 1 2HA GLY 1 -3.811 -16.369 -2.228
5 HA3 GLY 1 1HA GLY 1 -4.291 -17.016 -3.798
6 H VAL 2 H VAL 2 -5.568 -15.086 -5.069
7 HA VAL 2 HA VAL 2 -3.560 -13.296 -5.896
8 HB VAL 2 HB VAL 2 -5.304 -12.226 -7.222
9 HG11 VAL 2 1HG1 VAL 2 -4.440 -14.447 -7.926
10 HG12 VAL 2 2HG1 VAL 2 -6.116 -14.206 -8.417
11 HG13 VAL 2 3HG1 VAL 2 -5.743 -15.221 -7.024
12 HG21 VAL 2 1HG2 VAL 2 -7.146 -13.794 -5.396
13 HG22 VAL 2 2HG2 VAL 2 -7.678 -13.078 -6.918
14 HG23 VAL 2 3HG2 VAL 2 -7.089 -12.045 -5.617
15 H VAL 3 H VAL 3 -6.058 -13.044 -3.461
16 HA VAL 3 HA VAL 3 -6.237 -10.303 -3.091
17 HB VAL 3 HB VAL 3 -7.605 -11.964 -1.871
18 HG11 VAL 3 1HG1 VAL 3 -6.696 -13.228 -0.044
19 HG12 VAL 3 2HG1 VAL 3 -5.160 -12.365 -0.128
20 HG13 VAL 3 3HG1 VAL 3 -5.614 -13.484 -1.413
21 HG21 VAL 3 1HG2 VAL 3 -7.710 -10.736 0.200
22 HG22 VAL 3 2HG2 VAL 3 -7.247 -9.587 -1.054
23 HG23 VAL 3 3HG2 VAL 3 -6.028 -10.227 0.048
24 H ASP 4 H ASP 4 -3.755 -12.552 -1.963
25 HA ASP 4 HA ASP 4 -2.351 -10.919 -0.211
26 HB2 ASP 4 2HB ASP 4 -1.805 -13.276 -0.512
27 HB3 ASP 4 1HB ASP 4 -1.263 -12.962 -2.160
28 H ILE 5 H ILE 5 -2.148 -11.106 -3.746
29 HA ILE 5 HA ILE 5 0.014 -9.343 -4.079
30 HB ILE 5 HB ILE 5 -2.261 -9.718 -5.981
31 HG12 ILE 5 2HG1 ILE 5 0.283 -11.350 -5.832
32 HG13 ILE 5 1HG1 ILE 5 -1.243 -11.883 -5.113
33 HG21 ILE 5 1HG2 ILE 5 0.663 -9.052 -6.396
34 HG22 ILE 5 2HG2 ILE 5 -0.671 -7.904 -6.513
35 HG23 ILE 5 3HG2 ILE 5 -0.542 -9.228 -7.671
36 HD11 ILE 5 1HD1 ILE 5 -2.323 -11.616 -7.363
37 HD12 ILE 5 2HD1 ILE 5 -1.065 -12.852 -7.331
38 HD13 ILE 5 3HD1 ILE 5 -0.731 -11.271 -8.038
39 H LEU 6 H LEU 6 -3.443 -8.783 -4.239
40 HA LEU 6 HA LEU 6 -3.417 -6.039 -4.736
41 HB2 LEU 6 2HB LEU 6 -5.343 -8.027 -3.731
42 HB3 LEU 6 1HB LEU 6 -5.646 -6.386 -3.150
43 HG LEU 6 HG LEU 6 -5.088 -6.879 -6.072
44 HD11 LEU 6 1HD1 LEU 6 -6.907 -8.415 -5.505
45 HD12 LEU 6 2HD1 LEU 6 -7.549 -7.046 -6.413
46 HD13 LEU 6 3HD1 LEU 6 -7.764 -7.123 -4.664
47 HD21 LEU 6 1HD2 LEU 6 -6.705 -4.816 -4.535
48 HD22 LEU 6 2HD2 LEU 6 -6.492 -4.841 -6.286
49 HD23 LEU 6 3HD2 LEU 6 -5.105 -4.561 -5.234
50 H LYS 7 H LYS 7 -3.370 -7.793 -1.647
51 HA LYS 7 HA LYS 7 -3.441 -5.512 0.021
52 HB2 LYS 7 2HB LYS 7 -3.787 -8.036 0.573
53 HB3 LYS 7 1HB LYS 7 -2.041 -8.032 0.819
54 HG2 LYS 7 2HG LYS 7 -2.847 -7.487 2.947
55 HG3 LYS 7 1HG LYS 7 -2.488 -5.907 2.272
56 HD2 LYS 7 2HD LYS 7 -4.761 -5.421 1.882
57 HD3 LYS 7 1HD LYS 7 -5.237 -7.117 1.976
58 HE2 LYS 7 2HE LYS 7 -5.699 -5.516 4.016
59 HE3 LYS 7 1HE LYS 7 -5.127 -7.159 4.304
60 HZ1 LYS 7 1HZ LYS 7 -3.351 -4.792 4.083
61 HZ2 LYS 7 2HZ LYS 7 -2.903 -6.369 4.534
62 HZ3 LYS 7 3HZ LYS 7 -3.895 -5.439 5.553
63 H GLY 8 H GLY 8 -0.922 -6.971 -1.836
64 HA2 GLY 8 2HA GLY 8 1.258 -5.804 -0.331
65 HA3 GLY 8 1HA GLY 8 1.381 -6.648 -1.873
66 H ALA 9 H ALA 9 -0.018 -5.309 -3.635
67 HA ALA 9 HA ALA 9 1.484 -2.991 -4.178
68 HB1 ALA 9 1HB ALA 9 0.065 -2.694 -6.076
69 HB2 ALA 9 2HB ALA 9 -1.239 -3.617 -5.329
70 HB3 ALA 9 3HB ALA 9 0.234 -4.435 -5.851
71 H ALA 10 H ALA 10 -1.466 -3.515 -2.416
72 HA ALA 10 HA ALA 10 -2.483 -0.876 -2.472
73 HB1 ALA 10 1HB ALA 10 -3.694 -1.603 -0.376
74 HB2 ALA 10 2HB ALA 10 -2.822 -3.132 -0.490
75 HB3 ALA 10 3HB ALA 10 -3.932 -2.653 -1.773
76 H LYS 11 H LYS 11 -0.572 -2.582 0.019
77 HA LYS 11 HA LYS 11 -0.218 -0.322 1.662
78 HB2 LYS 11 2HB LYS 11 0.192 -2.296 2.799
79 HB3 LYS 11 1HB LYS 11 1.081 -2.987 1.450
80 HG2 LYS 11 2HG LYS 11 3.023 -1.702 1.916
81 HG3 LYS 11 1HG LYS 11 2.134 -0.606 2.974
82 HD2 LYS 11 2HD LYS 11 1.872 -2.312 4.651
83 HD3 LYS 11 1HD LYS 11 2.491 -3.555 3.564
84 HE2 LYS 11 2HE LYS 11 4.047 -1.207 4.691
85 HE3 LYS 11 1HE LYS 11 4.260 -2.908 5.110
86 HZ1 LYS 11 1HZ LYS 11 5.150 -1.452 2.769
87 HZ2 LYS 11 2HZ LYS 11 4.504 -2.991 2.454
88 HZ3 LYS 11 3HZ LYS 11 5.819 -2.820 3.517
89 H ASP 12 H ASP 12 1.353 -1.382 -1.204
90 HA ASP 12 HA ASP 12 3.829 -0.095 -0.978
91 HB2 ASP 12 2HB ASP 12 3.046 -1.663 -2.830
92 HB3 ASP 12 1HB ASP 12 2.222 -0.271 -3.530
93 H ILE 13 H ILE 13 0.624 1.121 -1.464
94 HA ILE 13 HA ILE 13 1.562 3.775 -2.281
95 HB ILE 13 HB ILE 13 -1.279 2.973 -1.652
96 HG12 ILE 13 2HG1 ILE 13 0.283 2.625 -4.234
97 HG13 ILE 13 1HG1 ILE 13 -0.420 1.334 -3.247
98 HG21 ILE 13 1HG2 ILE 13 -1.848 4.820 -3.053
99 HG22 ILE 13 2HG2 ILE 13 -0.202 4.952 -3.670
100 HG23 ILE 13 3HG2 ILE 13 -0.557 5.404 -2.003
101 HD11 ILE 13 1HD1 ILE 13 -1.876 3.459 -4.838
102 HD12 ILE 13 2HD1 ILE 13 -2.676 2.480 -3.608
103 HD13 ILE 13 3HD1 ILE 13 -1.970 1.708 -5.028
104 H ALA 14 H ALA 14 -0.273 2.298 0.394
105 HA ALA 14 HA ALA 14 -0.690 4.514 1.980
106 HB1 ALA 14 1HB ALA 14 -1.618 2.352 2.565
107 HB2 ALA 14 2HB ALA 14 -0.640 2.935 3.912
108 HB3 ALA 14 3HB ALA 14 -0.004 1.694 2.832
109 H GLY 15 H GLY 15 2.275 2.875 1.300
110 HA2 GLY 15 2HA GLY 15 3.789 3.790 3.532
111 HA3 GLY 15 1HA GLY 15 4.447 3.201 2.008
112 H HIS 16 H HIS 16 3.124 5.093 0.319
113 HA HIS 16 HA HIS 16 4.969 7.259 0.491
114 HB2 HIS 16 2HB HIS 16 4.381 6.737 -1.695
115 HB3 HIS 16 1HB HIS 16 2.682 6.560 -1.286
116 HD2 HIS 16 2HD HIS 16 1.216 8.770 -2.035
117 HE1 HIS 16 1HE HIS 16 4.338 11.613 -1.983
118 HE2 HIS 16 2HE HIS 16 1.870 11.262 -2.467
119 H LEU 17 H LEU 17 1.470 6.969 1.012
120 HA LEU 17 HA LEU 17 1.014 9.674 1.648
121 HB2 LEU 17 2HB LEU 17 -0.449 7.102 1.943
122 HB3 LEU 17 1HB LEU 17 -0.983 8.436 2.960
123 HG LEU 17 HG LEU 17 -0.518 9.140 0.110
124 HD11 LEU 17 1HD1 LEU 17 -1.515 6.938 -0.203
125 HD12 LEU 17 2HD1 LEU 17 -2.715 8.176 -0.576
126 HD13 LEU 17 3HD1 LEU 17 -2.785 7.314 0.961
127 HD21 LEU 17 1HD2 LEU 17 -1.481 10.678 1.842
128 HD22 LEU 17 2HD2 LEU 17 -2.863 9.591 1.989
129 HD23 LEU 17 3HD2 LEU 17 -2.561 10.433 0.468
130 H ALA 18 H ALA 18 2.059 6.945 3.516
131 HA ALA 18 HA ALA 18 1.656 8.036 6.099
132 HB1 ALA 18 1HB ALA 18 3.734 6.008 5.249
133 HB2 ALA 18 2HB ALA 18 2.058 5.614 5.634
134 HB3 ALA 18 3HB ALA 18 3.119 6.269 6.882
135 H SER 19 H SER 19 4.178 8.261 3.722
136 HA SER 19 HA SER 19 6.193 9.357 5.354
137 HB2 SER 19 2HB SER 19 7.349 9.839 3.350
138 HB3 SER 19 1HB SER 19 6.405 8.397 2.988
139 HG SER 19 HG SER 19 4.768 10.228 2.407
140 H LYS 20 H LYS 20 3.554 10.826 3.508
141 HA LYS 20 HA LYS 20 4.308 13.488 3.656
142 HB2 LYS 20 2HB LYS 20 2.164 11.956 2.729
143 HB3 LYS 20 1HB LYS 20 1.459 13.042 3.892
144 HG2 LYS 20 2HG LYS 20 2.737 14.915 2.741
145 HG3 LYS 20 1HG LYS 20 3.054 13.724 1.489
146 HD2 LYS 20 2HD LYS 20 0.662 13.397 1.121
147 HD3 LYS 20 1HD LYS 20 0.295 14.518 2.432
148 HE2 LYS 20 2HE LYS 20 1.496 16.315 1.177
149 HE3 LYS 20 1HE LYS 20 1.719 15.186 -0.160
150 HZ1 LYS 20 1HZ LYS 20 -0.963 15.090 0.532
151 HZ2 LYS 20 2HZ LYS 20 -0.281 15.755 -0.875
152 HZ3 LYS 20 3HZ LYS 20 -0.551 16.734 0.488
153 H VAL 21 H VAL 21 2.205 11.610 5.846
154 HA VAL 21 HA VAL 21 1.883 13.756 7.700
155 HB VAL 21 HB VAL 21 0.189 12.037 7.576
156 HG11 VAL 21 1HG1 VAL 21 1.701 10.213 6.836
157 HG12 VAL 21 2HG1 VAL 21 0.675 9.712 8.180
158 HG13 VAL 21 3HG1 VAL 21 2.366 10.122 8.468
159 HG21 VAL 21 1HG2 VAL 21 1.674 11.612 10.182
160 HG22 VAL 21 2HG2 VAL 21 -0.069 11.565 9.911
161 HG23 VAL 21 3HG2 VAL 21 0.797 13.099 9.820
162 H MET 22 H MET 22 4.340 11.453 7.122
163 HA MET 22 HA MET 22 5.443 11.640 9.829
164 HB2 MET 22 2HB MET 22 5.400 9.493 8.421
165 HB3 MET 22 1HB MET 22 6.696 10.228 7.477
166 HG2 MET 22 2HG MET 22 7.752 8.902 9.179
167 HG3 MET 22 1HG MET 22 7.936 10.588 9.663
168 HE1 MET 22 1HE MET 22 7.513 7.332 11.063
169 HE2 MET 22 2HE MET 22 7.252 7.931 12.699
170 HE3 MET 22 3HE MET 22 8.527 8.632 11.705
171 HN1 NH2 23 HN1 NH2 23 7.022 11.967 6.599
172 HN2 NH2 23 HN2 NH2 23 7.952 13.327 7.040