NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
654674 |
6vl2   |
30716 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 1HT PHE 1 -5.674 8.668 6.593
2 H2 PHE 1 2HT PHE 1 -4.038 8.992 6.266
3 H3 PHE 1 3HT PHE 1 -5.111 10.268 6.597
4 HA PHE 1 HA PHE 1 -3.507 9.383 8.434
5 HB2 PHE 1 2HB PHE 1 -6.399 9.788 9.186
6 HB3 PHE 1 1HB PHE 1 -4.954 10.350 10.024
7 HD1 PHE 1 1HD PHE 1 -7.616 11.552 8.269
8 HD2 PHE 1 2HD PHE 1 -3.324 11.693 8.160
9 HE1 PHE 1 1HE PHE 1 -7.718 13.691 7.020
10 HE2 PHE 1 2HE PHE 1 -3.427 13.833 6.910
11 HZ PHE 1 HZ PHE 1 -5.624 14.832 6.340
12 H PHE 2 H PHE 2 -4.840 7.084 6.864
13 HA PHE 2 HA PHE 2 -6.099 5.409 8.803
14 HB2 PHE 2 2HB PHE 2 -5.573 5.334 6.009
15 HB3 PHE 2 1HB PHE 2 -4.877 3.870 6.699
16 HD1 PHE 2 1HD PHE 2 -6.300 2.028 6.752
17 HD2 PHE 2 2HD PHE 2 -7.960 5.963 7.212
18 HE1 PHE 2 1HE PHE 2 -8.570 1.048 6.943
19 HE2 PHE 2 2HE PHE 2 -10.231 4.982 7.404
20 HZ PHE 2 HZ PHE 2 -10.535 2.525 7.269
21 H SER 3 H SER 3 -5.003 3.033 8.904
22 HA SER 3 HA SER 3 -2.149 3.181 9.471
23 HB2 SER 3 2HB SER 3 -4.044 2.361 11.676
24 HB3 SER 3 1HB SER 3 -2.296 2.597 11.779
25 HG SER 3 HG SER 3 -4.357 4.506 11.476
26 H LEU 4 H LEU 4 -1.309 1.015 10.167
27 HA LEU 4 HA LEU 4 -0.979 -1.165 9.450
28 HB2 LEU 4 2HB LEU 4 -3.838 -1.473 10.383
29 HB3 LEU 4 1HB LEU 4 -2.561 -2.692 10.397
30 HG LEU 4 HG LEU 4 -2.594 -0.131 12.022
31 HD11 LEU 4 1HD1 LEU 4 -4.143 -1.859 12.854
32 HD12 LEU 4 2HD1 LEU 4 -2.767 -1.680 13.943
33 HD13 LEU 4 3HD1 LEU 4 -2.838 -3.046 12.831
34 HD21 LEU 4 1HD2 LEU 4 -0.316 -0.542 11.587
35 HD22 LEU 4 2HD2 LEU 4 -0.533 -2.292 11.592
36 HD23 LEU 4 3HD2 LEU 4 -0.580 -1.393 13.108
37 H ILE 5 H ILE 5 -1.367 0.183 7.210
38 HA ILE 5 HA ILE 5 -3.581 -0.303 5.644
39 HB ILE 5 HB ILE 5 -2.375 1.007 4.377
40 HG12 ILE 5 2HG1 ILE 5 -0.498 -1.344 3.966
41 HG13 ILE 5 1HG1 ILE 5 -1.985 -1.061 3.052
42 HG21 ILE 5 1HG2 ILE 5 0.007 0.112 6.009
43 HG22 ILE 5 2HG2 ILE 5 -0.965 1.561 6.260
44 HG23 ILE 5 3HG2 ILE 5 0.060 1.425 4.835
45 HD11 ILE 5 1HD1 ILE 5 -0.915 1.281 2.555
46 HD12 ILE 5 2HD1 ILE 5 -0.366 -0.127 1.646
47 HD13 ILE 5 3HD1 ILE 5 0.595 0.482 2.994
48 HA PRO 6 HA PRO 6 -3.474 -4.532 4.779
49 HB2 PRO 6 2HB PRO 6 -5.448 -4.625 3.005
50 HB3 PRO 6 1HB PRO 6 -5.769 -4.116 4.683
51 HG2 PRO 6 2HG PRO 6 -5.351 -2.464 2.261
52 HG3 PRO 6 1HG PRO 6 -6.593 -2.290 3.510
53 HD2 PRO 6 2HD PRO 6 -4.255 -0.808 3.418
54 HD3 PRO 6 1HD PRO 6 -5.150 -1.129 4.918
55 H SER 7 H SER 7 -3.064 -6.011 3.003
56 HA SER 7 HA SER 7 -0.956 -5.259 1.341
57 HB2 SER 7 2HB SER 7 -1.531 -7.335 0.046
58 HB3 SER 7 1HB SER 7 -1.385 -7.600 1.787
59 HG SER 7 HG SER 7 -3.330 -8.432 0.552
60 H LEU 8 H LEU 8 -4.217 -4.395 1.231
61 HA LEU 8 HA LEU 8 -4.692 -4.356 -1.575
62 HB2 LEU 8 2HB LEU 8 -6.246 -3.901 0.592
63 HB3 LEU 8 1HB LEU 8 -5.945 -2.232 0.084
64 HG LEU 8 HG LEU 8 -6.565 -3.072 -2.295
65 HD11 LEU 8 1HD1 LEU 8 -7.510 -5.132 -2.563
66 HD12 LEU 8 2HD1 LEU 8 -8.326 -5.077 -1.002
67 HD13 LEU 8 3HD1 LEU 8 -6.623 -5.526 -1.091
68 HD21 LEU 8 1HD2 LEU 8 -7.966 -1.541 -0.985
69 HD22 LEU 8 2HD2 LEU 8 -8.642 -2.900 -0.086
70 HD23 LEU 8 3HD2 LEU 8 -8.982 -2.725 -1.808
71 H VAL 9 H VAL 9 -3.838 -1.657 0.605
72 HA VAL 9 HA VAL 9 -3.268 0.104 -1.586
73 HB VAL 9 HB VAL 9 -2.671 0.308 1.370
74 HG11 VAL 9 1HG1 VAL 9 -2.266 2.261 -0.905
75 HG12 VAL 9 2HG1 VAL 9 -1.065 1.696 0.256
76 HG13 VAL 9 3HG1 VAL 9 -2.362 2.768 0.782
77 HG21 VAL 9 1HG2 VAL 9 -4.800 1.464 -0.449
78 HG22 VAL 9 2HG2 VAL 9 -4.520 2.029 1.198
79 HG23 VAL 9 3HG2 VAL 9 -5.039 0.368 0.911
80 H GLY 10 H GLY 10 -1.405 -2.054 0.445
81 HA2 GLY 10 2HA GLY 10 1.169 -1.083 -0.318
82 HA3 GLY 10 1HA GLY 10 0.829 -2.615 0.478
83 H GLY 11 H GLY 11 -1.099 -3.379 -1.648
84 HA2 GLY 11 2HA GLY 11 0.548 -4.956 -3.243
85 HA3 GLY 11 1HA GLY 11 -1.120 -4.553 -3.626
86 H LEU 12 H LEU 12 -1.083 -1.899 -4.155
87 HA LEU 12 HA LEU 12 -0.105 -1.751 -6.769
88 HB2 LEU 12 2HB LEU 12 -0.709 0.563 -6.741
89 HB3 LEU 12 1HB LEU 12 -1.890 -0.294 -5.743
90 HG LEU 12 HG LEU 12 0.054 0.334 -3.892
91 HD11 LEU 12 1HD1 LEU 12 0.647 2.687 -4.237
92 HD12 LEU 12 2HD1 LEU 12 -0.196 2.690 -5.785
93 HD13 LEU 12 3HD1 LEU 12 1.256 1.714 -5.574
94 HD21 LEU 12 1HD2 LEU 12 -2.405 0.629 -3.676
95 HD22 LEU 12 2HD2 LEU 12 -2.306 2.063 -4.696
96 HD23 LEU 12 3HD2 LEU 12 -1.521 2.049 -3.116
97 H ILE 13 H ILE 13 1.475 -1.098 -3.734
98 HA ILE 13 HA ILE 13 3.624 0.462 -4.798
99 HB ILE 13 HB ILE 13 3.689 -1.212 -2.284
100 HG12 ILE 13 2HG1 ILE 13 2.521 1.552 -2.757
101 HG13 ILE 13 1HG1 ILE 13 1.638 0.107 -2.246
102 HG21 ILE 13 1HG2 ILE 13 5.791 -0.099 -3.170
103 HG22 ILE 13 2HG2 ILE 13 5.312 0.406 -1.549
104 HG23 ILE 13 3HG2 ILE 13 4.981 1.449 -2.931
105 HD11 ILE 13 1HD1 ILE 13 3.255 0.050 -0.238
106 HD12 ILE 13 2HD1 ILE 13 2.019 1.308 -0.237
107 HD13 ILE 13 3HD1 ILE 13 3.677 1.701 -0.690
108 H SER 14 H SER 14 3.291 -2.970 -3.901
109 HA SER 14 HA SER 14 5.869 -3.828 -4.487
110 HB2 SER 14 2HB SER 14 3.223 -5.258 -4.812
111 HB3 SER 14 1HB SER 14 4.794 -6.053 -4.970
112 HG SER 14 HG SER 14 5.043 -4.792 -2.778
113 H ALA 15 H ALA 15 3.144 -3.217 -6.635
114 HA ALA 15 HA ALA 15 4.211 -4.360 -8.979
115 HB1 ALA 15 1HB ALA 15 2.361 -1.975 -8.757
116 HB2 ALA 15 2HB ALA 15 1.840 -3.659 -8.701
117 HB3 ALA 15 3HB ALA 15 2.574 -3.011 -10.168
118 H PHE 16 H PHE 16 4.583 -1.176 -7.508
119 HA PHE 16 HA PHE 16 5.931 0.044 -9.677
120 HB2 PHE 16 2HB PHE 16 4.842 1.125 -7.581
121 HB3 PHE 16 1HB PHE 16 6.392 0.805 -6.803
122 HD1 PHE 16 1HD PHE 16 4.767 2.531 -9.669
123 HD2 PHE 16 2HD PHE 16 8.325 2.121 -7.296
124 HE1 PHE 16 1HE PHE 16 5.728 4.541 -10.760
125 HE2 PHE 16 2HE PHE 16 9.285 4.130 -8.387
126 HZ PHE 16 HZ PHE 16 7.986 5.340 -10.120
127 H LYS 17 H LYS 17 7.017 -1.792 -6.867
128 HA LYS 17 HA LYS 17 9.175 -2.332 -6.163
129 HB2 LYS 17 2HB LYS 17 10.240 -3.842 -7.832
130 HB3 LYS 17 1HB LYS 17 8.527 -4.182 -7.589
131 HG2 LYS 17 2HG LYS 17 7.928 -3.059 -9.627
132 HG3 LYS 17 1HG LYS 17 9.557 -2.409 -9.817
133 HD2 LYS 17 2HD LYS 17 10.470 -4.580 -10.252
134 HD3 LYS 17 1HD LYS 17 8.974 -5.377 -9.763
135 HE2 LYS 17 2HE LYS 17 9.085 -5.335 -12.196
136 HE3 LYS 17 1HE LYS 17 7.805 -4.246 -11.661
137 HZ1 LYS 17 1HZ LYS 17 10.367 -2.971 -11.826
138 HZ2 LYS 17 2HZ LYS 17 8.872 -2.489 -12.475
139 HZ3 LYS 17 3HZ LYS 17 9.853 -3.591 -13.318
140 HN1 NH2 17 1H LYS 17 11.458 -2.609 -8.147
141 HN2 NH2 17 2H LYS 17 12.028 -1.016 -8.361
Start of MODEL 2
1 H1 PHE 1 1HT PHE 1 -8.526 5.723 15.244
2 H2 PHE 1 2HT PHE 1 -10.202 5.994 15.177
3 H3 PHE 1 3HT PHE 1 -9.191 6.603 13.956
4 HA PHE 1 HA PHE 1 -9.229 3.712 14.456
5 HB2 PHE 1 2HB PHE 1 -11.116 3.485 12.878
6 HB3 PHE 1 1HB PHE 1 -11.603 4.365 14.327
7 HD1 PHE 1 1HD PHE 1 -11.474 6.953 14.243
8 HD2 PHE 1 2HD PHE 1 -11.425 4.449 10.752
9 HE1 PHE 1 1HE PHE 1 -12.159 8.885 12.847
10 HE2 PHE 1 2HE PHE 1 -12.110 6.381 9.357
11 HZ PHE 1 HZ PHE 1 -12.477 8.599 10.404
12 H PHE 2 H PHE 2 -7.344 5.808 13.516
13 HA PHE 2 HA PHE 2 -7.175 5.376 10.633
14 HB2 PHE 2 2HB PHE 2 -6.656 7.598 11.473
15 HB3 PHE 2 1HB PHE 2 -5.426 6.936 12.551
16 HD1 PHE 2 1HD PHE 2 -3.209 6.950 11.818
17 HD2 PHE 2 2HD PHE 2 -6.377 6.863 8.917
18 HE1 PHE 2 1HE PHE 2 -1.539 7.089 9.990
19 HE2 PHE 2 2HE PHE 2 -4.706 7.002 7.090
20 HZ PHE 2 HZ PHE 2 -2.288 7.115 7.626
21 H SER 3 H SER 3 -5.310 4.458 9.620
22 HA SER 3 HA SER 3 -3.393 2.996 11.237
23 HB2 SER 3 2HB SER 3 -5.218 1.458 9.379
24 HB3 SER 3 1HB SER 3 -3.945 0.800 10.414
25 HG SER 3 HG SER 3 -6.111 0.655 11.287
26 H LEU 4 H LEU 4 -1.845 1.774 9.805
27 HA LEU 4 HA LEU 4 -0.861 3.499 7.786
28 HB2 LEU 4 2HB LEU 4 -0.147 0.700 8.645
29 HB3 LEU 4 1HB LEU 4 0.678 1.500 7.308
30 HG LEU 4 HG LEU 4 0.396 2.956 9.924
31 HD11 LEU 4 1HD1 LEU 4 1.261 0.763 10.577
32 HD12 LEU 4 2HD1 LEU 4 2.556 1.957 10.654
33 HD13 LEU 4 3HD1 LEU 4 2.472 0.834 9.297
34 HD21 LEU 4 1HD2 LEU 4 2.503 2.865 7.737
35 HD22 LEU 4 2HD2 LEU 4 2.591 3.878 9.177
36 HD23 LEU 4 3HD2 LEU 4 1.318 4.147 7.988
37 H ILE 5 H ILE 5 -0.455 2.891 5.527
38 HA ILE 5 HA ILE 5 -2.746 2.310 4.116
39 HB ILE 5 HB ILE 5 -1.458 3.097 2.531
40 HG12 ILE 5 2HG1 ILE 5 0.244 0.607 2.872
41 HG13 ILE 5 1HG1 ILE 5 -1.139 0.775 1.781
42 HG21 ILE 5 1HG2 ILE 5 -0.083 4.038 4.324
43 HG22 ILE 5 2HG2 ILE 5 0.923 3.612 2.943
44 HG23 ILE 5 3HG2 ILE 5 0.887 2.566 4.362
45 HD11 ILE 5 1HD1 ILE 5 0.185 2.798 0.803
46 HD12 ILE 5 2HD1 ILE 5 0.697 1.169 0.368
47 HD13 ILE 5 3HD1 ILE 5 1.576 2.067 1.602
48 HA PRO 6 HA PRO 6 -3.122 -1.996 4.199
49 HB2 PRO 6 2HB PRO 6 -5.021 -2.292 2.367
50 HB3 PRO 6 1HB PRO 6 -5.346 -1.364 3.854
51 HG2 PRO 6 2HG PRO 6 -4.597 -0.388 1.155
52 HG3 PRO 6 1HG PRO 6 -5.894 0.193 2.211
53 HD2 PRO 6 2HD PRO 6 -3.429 1.406 2.014
54 HD3 PRO 6 1HD PRO 6 -4.421 1.470 3.487
55 H SER 7 H SER 7 -2.820 -3.886 2.849
56 HA SER 7 HA SER 7 -0.583 -3.781 1.189
57 HB2 SER 7 2HB SER 7 -1.480 -5.865 2.232
58 HB3 SER 7 1HB SER 7 -2.832 -5.816 1.095
59 HG SER 7 HG SER 7 -0.661 -5.527 -0.337
60 H LEU 8 H LEU 8 -3.720 -2.643 0.682
61 HA LEU 8 HA LEU 8 -4.065 -3.229 -2.088
62 HB2 LEU 8 2HB LEU 8 -5.688 -2.195 -0.212
63 HB3 LEU 8 1HB LEU 8 -5.184 -0.692 -0.998
64 HG LEU 8 HG LEU 8 -6.377 -3.105 -2.400
65 HD11 LEU 8 1HD1 LEU 8 -8.344 -1.747 -2.692
66 HD12 LEU 8 2HD1 LEU 8 -7.534 -0.332 -2.022
67 HD13 LEU 8 3HD1 LEU 8 -7.931 -1.697 -0.978
68 HD21 LEU 8 1HD2 LEU 8 -4.871 -2.033 -3.918
69 HD22 LEU 8 2HD2 LEU 8 -5.356 -0.427 -3.374
70 HD23 LEU 8 3HD2 LEU 8 -6.471 -1.411 -4.320
71 H VAL 9 H VAL 9 -3.080 -0.171 -0.520
72 HA VAL 9 HA VAL 9 -2.241 0.981 -3.007
73 HB VAL 9 HB VAL 9 -1.714 1.840 -0.154
74 HG11 VAL 9 1HG1 VAL 9 -1.329 4.080 -1.333
75 HG12 VAL 9 2HG1 VAL 9 -1.201 3.155 -2.828
76 HG13 VAL 9 3HG1 VAL 9 -0.053 2.877 -1.519
77 HG21 VAL 9 1HG2 VAL 9 -4.117 1.745 -0.951
78 HG22 VAL 9 2HG2 VAL 9 -3.681 2.922 -2.190
79 HG23 VAL 9 3HG2 VAL 9 -3.564 3.353 -0.484
80 H GLY 10 H GLY 10 -0.677 -0.764 -0.401
81 HA2 GLY 10 2HA GLY 10 2.001 -0.194 -1.250
82 HA3 GLY 10 1HA GLY 10 1.518 -1.396 -0.062
83 H GLY 11 H GLY 11 -0.390 -2.643 -1.951
84 HA2 GLY 11 2HA GLY 11 1.217 -4.691 -2.963
85 HA3 GLY 11 1HA GLY 11 -0.432 -4.360 -3.481
86 H LEU 12 H LEU 12 -0.206 -1.899 -4.676
87 HA LEU 12 HA LEU 12 0.668 -2.510 -7.243
88 HB2 LEU 12 2HB LEU 12 0.197 -0.284 -7.820
89 HB3 LEU 12 1HB LEU 12 -0.858 -0.590 -6.435
90 HG LEU 12 HG LEU 12 1.324 0.308 -5.116
91 HD11 LEU 12 1HD1 LEU 12 1.358 2.186 -7.446
92 HD12 LEU 12 2HD1 LEU 12 2.278 0.691 -7.590
93 HD13 LEU 12 3HD1 LEU 12 2.630 1.818 -6.283
94 HD21 LEU 12 1HD2 LEU 12 0.204 2.532 -5.091
95 HD22 LEU 12 2HD2 LEU 12 -0.941 1.207 -4.890
96 HD23 LEU 12 3HD2 LEU 12 -0.798 2.018 -6.448
97 H ILE 13 H ILE 13 2.472 -1.346 -4.506
98 HA ILE 13 HA ILE 13 4.742 -0.398 -5.975
99 HB ILE 13 HB ILE 13 4.737 -1.379 -3.119
100 HG12 ILE 13 2HG1 ILE 13 3.887 1.313 -4.240
101 HG13 ILE 13 1HG1 ILE 13 2.852 0.156 -3.389
102 HG21 ILE 13 1HG2 ILE 13 6.572 0.148 -2.854
103 HG22 ILE 13 2HG2 ILE 13 6.285 0.863 -4.440
104 HG23 ILE 13 3HG2 ILE 13 6.900 -0.785 -4.314
105 HD11 ILE 13 1HD1 ILE 13 5.179 1.732 -2.267
106 HD12 ILE 13 2HD1 ILE 13 4.463 0.358 -1.423
107 HD13 ILE 13 3HD1 ILE 13 3.491 1.790 -1.761
108 H SER 14 H SER 14 4.086 -3.377 -4.132
109 HA SER 14 HA SER 14 6.531 -4.656 -4.736
110 HB2 SER 14 2HB SER 14 5.520 -6.643 -3.873
111 HB3 SER 14 1HB SER 14 4.875 -5.297 -2.927
112 HG SER 14 HG SER 14 3.587 -7.067 -4.501
113 H ALA 15 H ALA 15 3.360 -4.715 -6.325
114 HA ALA 15 HA ALA 15 3.869 -6.706 -8.223
115 HB1 ALA 15 1HB ALA 15 2.226 -4.232 -8.765
116 HB2 ALA 15 2HB ALA 15 1.658 -5.538 -7.724
117 HB3 ALA 15 3HB ALA 15 2.003 -5.853 -9.424
118 H PHE 16 H PHE 16 4.312 -3.176 -8.498
119 HA PHE 16 HA PHE 16 5.393 -3.209 -11.102
120 HB2 PHE 16 2HB PHE 16 4.522 -1.179 -9.921
121 HB3 PHE 16 1HB PHE 16 5.970 -1.200 -8.914
122 HD1 PHE 16 1HD PHE 16 8.088 -0.455 -9.751
123 HD2 PHE 16 2HD PHE 16 4.729 -0.860 -12.398
124 HE1 PHE 16 1HE PHE 16 9.342 0.742 -11.526
125 HE2 PHE 16 2HE PHE 16 5.983 0.336 -14.173
126 HZ PHE 16 HZ PHE 16 8.290 1.137 -13.736
127 H LYS 17 H LYS 17 6.772 -3.804 -7.961
128 HA LYS 17 HA LYS 17 8.865 -4.440 -7.273
129 HB2 LYS 17 2HB LYS 17 8.526 -6.335 -8.703
130 HB3 LYS 17 1HB LYS 17 8.910 -5.390 -10.140
131 HG2 LYS 17 2HG LYS 17 11.209 -5.202 -9.525
132 HG3 LYS 17 1HG LYS 17 10.890 -5.778 -7.888
133 HD2 LYS 17 2HD LYS 17 10.204 -7.982 -8.832
134 HD3 LYS 17 1HD LYS 17 10.640 -7.399 -10.439
135 HE2 LYS 17 2HE LYS 17 12.959 -7.030 -9.678
136 HE3 LYS 17 1HE LYS 17 12.525 -7.618 -8.072
137 HZ1 LYS 17 1HZ LYS 17 11.944 -9.304 -10.402
138 HZ2 LYS 17 2HZ LYS 17 12.312 -9.755 -8.806
139 HZ3 LYS 17 3HZ LYS 17 13.544 -9.217 -9.844
140 HN1 NH2 17 1H LYS 17 11.154 -3.776 -7.336
141 HN2 NH2 17 2H LYS 17 11.626 -2.422 -8.261
Start of MODEL 3
1 H1 PHE 1 1HT PHE 1 -2.483 -3.007 10.844
2 H2 PHE 1 2HT PHE 1 -2.189 -3.014 9.171
3 H3 PHE 1 3HT PHE 1 -3.640 -2.373 9.779
4 HA PHE 1 HA PHE 1 -1.040 -1.235 10.580
5 HB2 PHE 1 2HB PHE 1 -1.594 0.483 8.712
6 HB3 PHE 1 1HB PHE 1 -0.858 -1.047 8.236
7 HD1 PHE 1 1HD PHE 1 -1.963 -2.512 6.747
8 HD2 PHE 1 2HD PHE 1 -4.151 0.670 8.626
9 HE1 PHE 1 1HE PHE 1 -3.920 -3.009 5.308
10 HE2 PHE 1 2HE PHE 1 -6.109 0.173 7.188
11 HZ PHE 1 HZ PHE 1 -5.994 -1.666 5.528
12 H PHE 2 H PHE 2 -1.818 1.379 10.280
13 HA PHE 2 HA PHE 2 -4.328 1.631 11.821
14 HB2 PHE 2 2HB PHE 2 -2.533 1.749 13.445
15 HB3 PHE 2 1HB PHE 2 -1.666 2.926 12.457
16 HD1 PHE 2 1HD PHE 2 -1.902 5.175 13.026
17 HD2 PHE 2 2HD PHE 2 -5.093 2.441 13.924
18 HE1 PHE 2 1HE PHE 2 -3.172 7.011 14.105
19 HE2 PHE 2 2HE PHE 2 -6.362 4.278 15.003
20 HZ PHE 2 HZ PHE 2 -5.402 6.563 15.093
21 H SER 3 H SER 3 -5.596 2.653 10.377
22 HA SER 3 HA SER 3 -6.363 4.252 8.912
23 HB2 SER 3 2HB SER 3 -5.924 5.676 10.906
24 HB3 SER 3 1HB SER 3 -4.298 5.988 10.289
25 HG SER 3 HG SER 3 -6.710 6.504 8.874
26 H LEU 4 H LEU 4 -5.003 6.408 7.715
27 HA LEU 4 HA LEU 4 -3.735 6.901 5.865
28 HB2 LEU 4 2HB LEU 4 -1.919 4.640 6.707
29 HB3 LEU 4 1HB LEU 4 -1.500 6.084 5.785
30 HG LEU 4 HG LEU 4 -2.440 6.064 8.670
31 HD11 LEU 4 1HD1 LEU 4 -0.103 6.759 9.150
32 HD12 LEU 4 2HD1 LEU 4 0.297 6.532 7.448
33 HD13 LEU 4 3HD1 LEU 4 -0.177 5.149 8.435
34 HD21 LEU 4 1HD2 LEU 4 -1.663 8.243 6.726
35 HD22 LEU 4 2HD2 LEU 4 -1.542 8.485 8.468
36 HD23 LEU 4 3HD2 LEU 4 -3.107 8.137 7.734
37 H ILE 5 H ILE 5 -2.451 5.543 3.974
38 HA ILE 5 HA ILE 5 -4.417 4.345 2.460
39 HB ILE 5 HB ILE 5 -2.850 4.726 0.984
40 HG12 ILE 5 2HG1 ILE 5 -1.264 2.493 2.298
41 HG13 ILE 5 1HG1 ILE 5 -2.509 2.267 1.061
42 HG21 ILE 5 1HG2 ILE 5 -0.912 4.818 3.302
43 HG22 ILE 5 2HG2 ILE 5 -1.733 6.189 2.556
44 HG23 ILE 5 3HG2 ILE 5 -0.507 5.301 1.656
45 HD11 ILE 5 1HD1 ILE 5 -1.048 3.953 -0.326
46 HD12 ILE 5 2HD1 ILE 5 -0.555 2.264 -0.221
47 HD13 ILE 5 3HD1 ILE 5 0.230 3.475 0.791
48 HA PRO 6 HA PRO 6 -4.744 0.314 3.976
49 HB2 PRO 6 2HB PRO 6 -6.383 -0.672 2.135
50 HB3 PRO 6 1HB PRO 6 -6.910 0.672 3.180
51 HG2 PRO 6 2HG PRO 6 -5.858 0.739 0.410
52 HG3 PRO 6 1HG PRO 6 -7.262 1.589 1.076
53 HD2 PRO 6 2HD PRO 6 -4.764 2.733 0.739
54 HD3 PRO 6 1HD PRO 6 -5.938 3.291 1.949
55 H SER 7 H SER 7 -4.244 -1.897 3.381
56 HA SER 7 HA SER 7 -1.808 -2.218 2.062
57 HB2 SER 7 2HB SER 7 -2.505 -4.665 1.929
58 HB3 SER 7 1HB SER 7 -2.536 -3.952 3.546
59 HG SER 7 HG SER 7 -4.873 -3.447 2.495
60 H LEU 8 H LEU 8 -4.867 -1.486 0.842
61 HA LEU 8 HA LEU 8 -4.851 -2.959 -1.598
62 HB2 LEU 8 2HB LEU 8 -6.684 -1.397 -0.345
63 HB3 LEU 8 1HB LEU 8 -6.134 -0.285 -1.605
64 HG LEU 8 HG LEU 8 -6.438 -2.365 -3.189
65 HD11 LEU 8 1HD1 LEU 8 -8.282 -3.840 -2.445
66 HD12 LEU 8 2HD1 LEU 8 -8.280 -3.042 -0.874
67 HD13 LEU 8 3HD1 LEU 8 -6.882 -3.985 -1.383
68 HD21 LEU 8 1HD2 LEU 8 -7.761 -0.287 -3.315
69 HD22 LEU 8 2HD2 LEU 8 -8.799 -0.863 -2.011
70 HD23 LEU 8 3HD2 LEU 8 -8.793 -1.694 -3.565
71 H VAL 9 H VAL 9 -4.092 0.487 -1.021
72 HA VAL 9 HA VAL 9 -2.975 0.818 -3.641
73 HB VAL 9 HB VAL 9 -2.712 2.573 -1.190
74 HG11 VAL 9 1HG1 VAL 9 -2.331 4.333 -2.987
75 HG12 VAL 9 2HG1 VAL 9 -2.146 3.005 -4.132
76 HG13 VAL 9 3HG1 VAL 9 -1.020 3.170 -2.785
77 HG21 VAL 9 1HG2 VAL 9 -4.531 3.875 -2.364
78 HG22 VAL 9 2HG2 VAL 9 -5.046 2.299 -1.763
79 HG23 VAL 9 3HG2 VAL 9 -4.700 2.518 -3.479
80 H GLY 10 H GLY 10 -1.707 0.064 -0.459
81 HA2 GLY 10 2HA GLY 10 1.042 0.481 -1.103
82 HA3 GLY 10 1HA GLY 10 0.423 -0.402 0.288
83 H GLY 11 H GLY 11 -1.197 -2.175 -1.447
84 HA2 GLY 11 2HA GLY 11 0.535 -4.346 -1.670
85 HA3 GLY 11 1HA GLY 11 -1.012 -4.213 -2.497
86 H LEU 12 H LEU 12 -0.447 -1.985 -4.140
87 HA LEU 12 HA LEU 12 0.671 -3.193 -6.382
88 HB2 LEU 12 2HB LEU 12 0.481 -1.118 -7.459
89 HB3 LEU 12 1HB LEU 12 -0.744 -1.035 -6.189
90 HG LEU 12 HG LEU 12 1.209 0.007 -4.759
91 HD11 LEU 12 1HD1 LEU 12 2.518 -0.317 -7.268
92 HD12 LEU 12 2HD1 LEU 12 3.128 0.497 -5.831
93 HD13 LEU 12 3HD1 LEU 12 2.250 1.412 -7.055
94 HD21 LEU 12 1HD2 LEU 12 0.505 2.238 -5.482
95 HD22 LEU 12 2HD2 LEU 12 -0.886 1.155 -5.479
96 HD23 LEU 12 3HD2 LEU 12 -0.102 1.579 -7.000
97 H ILE 13 H ILE 13 2.226 -1.587 -3.716
98 HA ILE 13 HA ILE 13 4.699 -0.952 -4.891
99 HB ILE 13 HB ILE 13 4.201 -1.862 -2.047
100 HG12 ILE 13 2HG1 ILE 13 4.193 0.955 -3.175
101 HG13 ILE 13 1HG1 ILE 13 2.719 0.022 -2.872
102 HG21 ILE 13 1HG2 ILE 13 6.564 -1.791 -2.571
103 HG22 ILE 13 2HG2 ILE 13 6.177 -0.354 -1.625
104 HG23 ILE 13 3HG2 ILE 13 6.387 -0.231 -3.371
105 HD11 ILE 13 1HD1 ILE 13 4.819 0.593 -0.759
106 HD12 ILE 13 2HD1 ILE 13 3.231 -0.134 -0.512
107 HD13 ILE 13 3HD1 ILE 13 3.361 1.561 -0.981
108 H SER 14 H SER 14 3.499 -3.953 -3.451
109 HA SER 14 HA SER 14 5.874 -5.423 -3.421
110 HB2 SER 14 2HB SER 14 4.518 -7.363 -3.251
111 HB3 SER 14 1HB SER 14 3.589 -6.073 -2.478
112 HG SER 14 HG SER 14 2.256 -7.165 -3.905
113 H ALA 15 H ALA 15 3.378 -5.307 -5.972
114 HA ALA 15 HA ALA 15 4.714 -6.926 -7.831
115 HB1 ALA 15 1HB ALA 15 2.298 -6.101 -7.902
116 HB2 ALA 15 2HB ALA 15 3.163 -6.119 -9.438
117 HB3 ALA 15 3HB ALA 15 2.939 -4.601 -8.571
118 H PHE 16 H PHE 16 4.719 -3.386 -7.453
119 HA PHE 16 HA PHE 16 6.438 -2.833 -9.616
120 HB2 PHE 16 2HB PHE 16 4.964 -1.263 -8.075
121 HB3 PHE 16 1HB PHE 16 6.466 -1.111 -7.167
122 HD1 PHE 16 1HD PHE 16 4.607 0.131 -9.922
123 HD2 PHE 16 2HD PHE 16 8.625 -0.632 -8.609
124 HE1 PHE 16 1HE PHE 16 5.462 1.744 -11.601
125 HE2 PHE 16 2HE PHE 16 9.480 0.981 -10.288
126 HZ PHE 16 HZ PHE 16 7.898 2.168 -11.783
127 H LYS 17 H LYS 17 7.051 -3.595 -6.225
128 HA LYS 17 HA LYS 17 9.793 -2.998 -6.140
129 HB2 LYS 17 2HB LYS 17 8.352 -3.527 -4.161
130 HB3 LYS 17 1HB LYS 17 8.383 -5.222 -4.650
131 HG2 LYS 17 2HG LYS 17 10.772 -5.341 -4.375
132 HG3 LYS 17 1HG LYS 17 10.890 -3.596 -4.155
133 HD2 LYS 17 2HD LYS 17 10.992 -4.404 -1.952
134 HD3 LYS 17 1HD LYS 17 9.292 -3.973 -2.128
135 HE2 LYS 17 2HE LYS 17 9.554 -6.206 -1.092
136 HE3 LYS 17 1HE LYS 17 8.738 -6.313 -2.650
137 HZ1 LYS 17 1HZ LYS 17 11.468 -6.465 -3.141
138 HZ2 LYS 17 2HZ LYS 17 10.313 -7.700 -3.305
139 HZ3 LYS 17 3HZ LYS 17 11.155 -7.511 -1.843
140 HN1 NH2 17 1H LYS 17 11.655 -4.497 -6.291
141 HN2 NH2 17 2H LYS 17 11.567 -5.858 -7.317
Start of MODEL 4
1 H1 PHE 1 1HT PHE 1 -11.888 6.246 12.668
2 H2 PHE 1 2HT PHE 1 -11.154 5.401 11.389
3 H3 PHE 1 3HT PHE 1 -10.928 7.078 11.544
4 HA PHE 1 HA PHE 1 -9.327 6.880 13.075
5 HB2 PHE 1 2HB PHE 1 -9.445 5.374 14.944
6 HB3 PHE 1 1HB PHE 1 -11.082 5.967 14.666
7 HD1 PHE 1 1HD PHE 1 -12.530 4.525 12.979
8 HD2 PHE 1 2HD PHE 1 -9.104 3.066 15.123
9 HE1 PHE 1 1HE PHE 1 -13.323 2.195 12.663
10 HE2 PHE 1 2HE PHE 1 -9.897 0.739 14.806
11 HZ PHE 1 HZ PHE 1 -12.005 0.303 13.577
12 H PHE 2 H PHE 2 -9.718 5.428 10.429
13 HA PHE 2 HA PHE 2 -8.582 2.977 10.200
14 HB2 PHE 2 2HB PHE 2 -7.505 5.100 8.392
15 HB3 PHE 2 1HB PHE 2 -8.149 3.508 8.000
16 HD1 PHE 2 1HD PHE 2 -10.551 3.121 7.798
17 HD2 PHE 2 2HD PHE 2 -8.996 7.004 8.779
18 HE1 PHE 2 1HE PHE 2 -12.765 4.129 7.317
19 HE2 PHE 2 2HE PHE 2 -11.211 8.012 8.298
20 HZ PHE 2 HZ PHE 2 -13.095 6.574 7.567
21 H SER 3 H SER 3 -6.714 2.039 10.728
22 HA SER 3 HA SER 3 -4.641 3.565 12.027
23 HB2 SER 3 2HB SER 3 -4.964 0.640 11.349
24 HB3 SER 3 1HB SER 3 -3.496 1.283 12.095
25 HG SER 3 HG SER 3 -6.093 1.046 13.109
26 H LEU 4 H LEU 4 -2.305 2.393 11.273
27 HA LEU 4 HA LEU 4 -1.351 3.880 9.190
28 HB2 LEU 4 2HB LEU 4 -0.509 1.135 10.126
29 HB3 LEU 4 1HB LEU 4 0.395 2.046 8.919
30 HG LEU 4 HG LEU 4 -0.333 3.340 11.541
31 HD11 LEU 4 1HD1 LEU 4 0.734 1.297 12.249
32 HD12 LEU 4 2HD1 LEU 4 1.933 2.585 12.366
33 HD13 LEU 4 3HD1 LEU 4 1.980 1.457 11.010
34 HD21 LEU 4 1HD2 LEU 4 1.880 3.665 9.489
35 HD22 LEU 4 2HD2 LEU 4 1.876 4.494 11.046
36 HD23 LEU 4 3HD2 LEU 4 0.599 4.815 9.875
37 H ILE 5 H ILE 5 -0.935 3.515 6.971
38 HA ILE 5 HA ILE 5 -3.016 2.509 5.476
39 HB ILE 5 HB ILE 5 -1.918 3.708 4.017
40 HG12 ILE 5 2HG1 ILE 5 -1.204 1.456 3.137
41 HG13 ILE 5 1HG1 ILE 5 -0.101 2.769 2.723
42 HG21 ILE 5 1HG2 ILE 5 0.441 4.474 4.428
43 HG22 ILE 5 2HG2 ILE 5 0.463 3.432 5.850
44 HG23 ILE 5 3HG2 ILE 5 -0.671 4.781 5.762
45 HD11 ILE 5 1HD1 ILE 5 0.704 1.676 5.260
46 HD12 ILE 5 2HD1 ILE 5 1.592 1.701 3.739
47 HD13 ILE 5 3HD1 ILE 5 0.512 0.358 4.105
48 HA PRO 6 HA PRO 6 -2.478 -1.765 5.361
49 HB2 PRO 6 2HB PRO 6 -4.214 -2.359 3.433
50 HB3 PRO 6 1HB PRO 6 -4.767 -1.619 4.958
51 HG2 PRO 6 2HG PRO 6 -4.201 -0.344 2.344
52 HG3 PRO 6 1HG PRO 6 -5.603 -0.112 3.398
53 HD2 PRO 6 2HD PRO 6 -3.447 1.599 3.316
54 HD3 PRO 6 1HD PRO 6 -4.452 1.379 4.764
55 H SER 7 H SER 7 -1.781 -3.499 3.950
56 HA SER 7 HA SER 7 0.478 -2.918 2.442
57 HB2 SER 7 2HB SER 7 0.218 -5.221 1.523
58 HB3 SER 7 1HB SER 7 0.038 -5.166 3.280
59 HG SER 7 HG SER 7 -1.605 -6.366 2.031
60 H LEU 8 H LEU 8 -2.768 -2.296 1.734
61 HA LEU 8 HA LEU 8 -3.017 -2.848 -0.991
62 HB2 LEU 8 2HB LEU 8 -4.716 -1.790 0.678
63 HB3 LEU 8 1HB LEU 8 -4.028 -0.252 0.134
64 HG LEU 8 HG LEU 8 -4.416 -1.316 -2.274
65 HD11 LEU 8 1HD1 LEU 8 -6.471 -2.684 -2.315
66 HD12 LEU 8 2HD1 LEU 8 -6.509 -2.684 -0.553
67 HD13 LEU 8 3HD1 LEU 8 -5.195 -3.494 -1.406
68 HD21 LEU 8 1HD2 LEU 8 -6.651 -0.183 -0.559
69 HD22 LEU 8 2HD2 LEU 8 -6.628 -0.207 -2.322
70 HD23 LEU 8 3HD2 LEU 8 -5.450 0.762 -1.438
71 H VAL 9 H VAL 9 -1.419 -0.106 0.580
72 HA VAL 9 HA VAL 9 -0.851 1.267 -1.871
73 HB VAL 9 HB VAL 9 0.384 1.525 0.878
74 HG11 VAL 9 1HG1 VAL 9 0.644 3.165 -1.651
75 HG12 VAL 9 2HG1 VAL 9 1.935 2.447 -0.689
76 HG13 VAL 9 3HG1 VAL 9 1.023 3.817 -0.056
77 HG21 VAL 9 1HG2 VAL 9 -1.069 3.653 0.803
78 HG22 VAL 9 2HG2 VAL 9 -1.918 2.123 1.015
79 HG23 VAL 9 3HG2 VAL 9 -1.889 2.903 -0.566
80 H GLY 10 H GLY 10 0.877 -1.044 0.152
81 HA2 GLY 10 2HA GLY 10 3.358 -0.829 -1.256
82 HA3 GLY 10 1HA GLY 10 2.923 -2.078 -0.097
83 H GLY 11 H GLY 11 0.455 -2.734 -1.610
84 HA2 GLY 11 2HA GLY 11 1.371 -4.897 -3.101
85 HA3 GLY 11 1HA GLY 11 -0.235 -4.194 -3.247
86 H LEU 12 H LEU 12 0.277 -1.708 -4.291
87 HA LEU 12 HA LEU 12 0.516 -2.187 -7.019
88 HB2 LEU 12 2HB LEU 12 0.580 0.183 -7.320
89 HB3 LEU 12 1HB LEU 12 -0.445 -0.131 -5.913
90 HG LEU 12 HG LEU 12 2.024 0.087 -4.728
91 HD11 LEU 12 1HD1 LEU 12 2.003 2.316 -6.759
92 HD12 LEU 12 2HD1 LEU 12 2.832 0.800 -7.103
93 HD13 LEU 12 3HD1 LEU 12 3.324 1.778 -5.722
94 HD21 LEU 12 1HD2 LEU 12 -0.098 1.208 -4.062
95 HD22 LEU 12 2HD2 LEU 12 0.137 2.381 -5.358
96 HD23 LEU 12 3HD2 LEU 12 1.276 2.311 -4.014
97 H ILE 13 H ILE 13 3.010 -1.677 -4.636
98 HA ILE 13 HA ILE 13 5.112 -0.958 -6.404
99 HB ILE 13 HB ILE 13 5.411 -2.467 -3.803
100 HG12 ILE 13 2HG1 ILE 13 5.086 0.518 -4.269
101 HG13 ILE 13 1HG1 ILE 13 3.895 -0.537 -3.495
102 HG21 ILE 13 1HG2 ILE 13 7.570 -1.447 -3.722
103 HG22 ILE 13 2HG2 ILE 13 7.177 -0.346 -5.042
104 HG23 ILE 13 3HG2 ILE 13 7.396 -2.066 -5.364
105 HD11 ILE 13 1HD1 ILE 13 5.163 0.571 -1.751
106 HD12 ILE 13 2HD1 ILE 13 6.688 0.095 -2.498
107 HD13 ILE 13 3HD1 ILE 13 5.638 -1.127 -1.780
108 H SER 14 H SER 14 3.915 -4.066 -5.204
109 HA SER 14 HA SER 14 5.947 -5.696 -6.283
110 HB2 SER 14 2HB SER 14 4.309 -6.486 -4.612
111 HB3 SER 14 1HB SER 14 3.028 -6.369 -5.825
112 HG SER 14 HG SER 14 5.389 -7.940 -6.056
113 H ALA 15 H ALA 15 2.812 -4.667 -7.614
114 HA ALA 15 HA ALA 15 2.964 -6.102 -10.030
115 HB1 ALA 15 1HB ALA 15 0.903 -5.016 -9.173
116 HB2 ALA 15 2HB ALA 15 1.253 -4.575 -10.845
117 HB3 ALA 15 3HB ALA 15 1.607 -3.442 -9.541
118 H PHE 16 H PHE 16 4.101 -2.869 -9.141
119 HA PHE 16 HA PHE 16 4.917 -2.049 -11.711
120 HB2 PHE 16 2HB PHE 16 4.681 -0.452 -9.893
121 HB3 PHE 16 1HB PHE 16 5.961 -1.257 -8.983
122 HD1 PHE 16 1HD PHE 16 8.088 -0.312 -9.107
123 HD2 PHE 16 2HD PHE 16 5.405 0.128 -12.434
124 HE1 PHE 16 1HE PHE 16 9.784 1.052 -10.295
125 HE2 PHE 16 2HE PHE 16 7.102 1.492 -13.621
126 HZ PHE 16 HZ PHE 16 9.291 1.955 -12.551
127 H LYS 17 H LYS 17 6.447 -4.029 -9.259
128 HA LYS 17 HA LYS 17 8.281 -5.159 -11.095
129 HB2 LYS 17 2HB LYS 17 10.361 -4.259 -10.316
130 HB3 LYS 17 1HB LYS 17 9.324 -2.891 -10.722
131 HG2 LYS 17 2HG LYS 17 8.619 -2.898 -8.252
132 HG3 LYS 17 1HG LYS 17 9.991 -3.971 -7.979
133 HD2 LYS 17 2HD LYS 17 10.210 -1.263 -9.323
134 HD3 LYS 17 1HD LYS 17 10.512 -1.534 -7.608
135 HE2 LYS 17 2HE LYS 17 12.030 -2.707 -9.951
136 HE3 LYS 17 1HE LYS 17 12.646 -1.619 -8.709
137 HZ1 LYS 17 1HZ LYS 17 13.356 -3.639 -7.941
138 HZ2 LYS 17 2HZ LYS 17 11.996 -4.477 -8.521
139 HZ3 LYS 17 3HZ LYS 17 11.872 -3.510 -7.129
140 HN1 NH2 17 1H LYS 17 9.317 -7.025 -10.160
141 HN2 NH2 17 2H LYS 17 8.985 -7.531 -8.566
Start of MODEL 5
1 H1 PHE 1 1HT PHE 1 -5.172 -2.484 9.107
2 H2 PHE 1 2HT PHE 1 -4.099 -3.577 9.843
3 H3 PHE 1 3HT PHE 1 -3.503 -2.348 8.832
4 HA PHE 1 HA PHE 1 -4.052 -2.274 11.613
5 HB2 PHE 1 2HB PHE 1 -3.042 0.014 9.943
6 HB3 PHE 1 1HB PHE 1 -2.523 -0.503 11.548
7 HD1 PHE 1 1HD PHE 1 -1.980 -3.306 11.340
8 HD2 PHE 1 2HD PHE 1 -1.277 -0.226 8.428
9 HE1 PHE 1 1HE PHE 1 -0.185 -4.679 10.321
10 HE2 PHE 1 2HE PHE 1 0.519 -1.600 7.409
11 HZ PHE 1 HZ PHE 1 1.064 -3.827 8.356
12 H PHE 2 H PHE 2 -4.202 0.777 11.321
13 HA PHE 2 HA PHE 2 -6.886 1.285 10.391
14 HB2 PHE 2 2HB PHE 2 -7.332 0.212 12.577
15 HB3 PHE 2 1HB PHE 2 -6.329 1.431 13.363
16 HD1 PHE 2 1HD PHE 2 -7.337 3.393 14.145
17 HD2 PHE 2 2HD PHE 2 -9.233 1.158 11.004
18 HE1 PHE 2 1HE PHE 2 -9.272 4.941 14.211
19 HE2 PHE 2 2HE PHE 2 -11.168 2.707 11.071
20 HZ PHE 2 HZ PHE 2 -11.188 4.598 12.674
21 H SER 3 H SER 3 -4.445 2.388 9.666
22 HA SER 3 HA SER 3 -4.963 5.173 10.089
23 HB2 SER 3 2HB SER 3 -2.278 4.292 11.116
24 HB3 SER 3 1HB SER 3 -3.128 5.818 11.385
25 HG SER 3 HG SER 3 -3.883 4.913 13.115
26 H LEU 4 H LEU 4 -3.483 6.540 8.856
27 HA LEU 4 HA LEU 4 -2.481 7.033 6.842
28 HB2 LEU 4 2HB LEU 4 -0.843 4.582 7.530
29 HB3 LEU 4 1HB LEU 4 -0.374 5.877 6.429
30 HG LEU 4 HG LEU 4 -1.064 6.392 9.330
31 HD11 LEU 4 1HD1 LEU 4 0.798 4.913 9.457
32 HD12 LEU 4 2HD1 LEU 4 1.482 6.533 9.585
33 HD13 LEU 4 3HD1 LEU 4 1.577 5.653 8.059
34 HD21 LEU 4 1HD2 LEU 4 0.272 7.941 7.102
35 HD22 LEU 4 2HD2 LEU 4 0.495 8.385 8.793
36 HD23 LEU 4 3HD2 LEU 4 -1.117 8.411 8.081
37 H ILE 5 H ILE 5 -1.739 5.988 4.660
38 HA ILE 5 HA ILE 5 -3.931 4.858 3.433
39 HB ILE 5 HB ILE 5 -2.729 5.524 1.733
40 HG12 ILE 5 2HG1 ILE 5 -2.242 3.068 1.468
41 HG13 ILE 5 1HG1 ILE 5 -1.010 4.117 0.765
42 HG21 ILE 5 1HG2 ILE 5 -1.378 6.883 3.181
43 HG22 ILE 5 2HG2 ILE 5 -0.315 6.156 1.976
44 HG23 ILE 5 3HG2 ILE 5 -0.369 5.501 3.612
45 HD11 ILE 5 1HD1 ILE 5 -0.316 3.641 3.513
46 HD12 ILE 5 2HD1 ILE 5 0.562 3.170 2.059
47 HD13 ILE 5 3HD1 ILE 5 -0.655 2.093 2.739
48 HA PRO 6 HA PRO 6 -3.829 0.664 4.417
49 HB2 PRO 6 2HB PRO 6 -5.601 -0.243 2.650
50 HB3 PRO 6 1HB PRO 6 -6.087 0.915 3.915
51 HG2 PRO 6 2HG PRO 6 -5.380 1.413 1.081
52 HG3 PRO 6 1HG PRO 6 -6.760 2.041 1.996
53 HD2 PRO 6 2HD PRO 6 -4.447 3.465 1.549
54 HD3 PRO 6 1HD PRO 6 -5.476 3.716 2.975
55 H SER 7 H SER 7 -3.289 -1.431 3.537
56 HA SER 7 HA SER 7 -0.981 -1.479 1.989
57 HB2 SER 7 2HB SER 7 -1.823 -3.350 3.447
58 HB3 SER 7 1HB SER 7 -3.020 -3.712 2.197
59 HG SER 7 HG SER 7 -0.989 -3.685 0.793
60 H LEU 8 H LEU 8 -4.155 -0.785 1.065
61 HA LEU 8 HA LEU 8 -4.456 -2.025 -1.418
62 HB2 LEU 8 2HB LEU 8 -6.040 -0.398 -0.117
63 HB3 LEU 8 1HB LEU 8 -5.234 0.855 -1.073
64 HG LEU 8 HG LEU 8 -5.747 -0.750 -3.096
65 HD11 LEU 8 1HD1 LEU 8 -7.941 -1.933 -2.724
66 HD12 LEU 8 2HD1 LEU 8 -7.756 -1.628 -0.999
67 HD13 LEU 8 3HD1 LEU 8 -6.592 -2.647 -1.843
68 HD21 LEU 8 1HD2 LEU 8 -7.846 0.912 -1.669
69 HD22 LEU 8 2HD2 LEU 8 -7.991 0.352 -3.335
70 HD23 LEU 8 3HD2 LEU 8 -6.706 1.475 -2.891
71 H VAL 9 H VAL 9 -2.749 0.992 -0.647
72 HA VAL 9 HA VAL 9 -1.970 1.489 -3.364
73 HB VAL 9 HB VAL 9 -0.684 2.573 -0.855
74 HG11 VAL 9 1HG1 VAL 9 0.510 2.961 -2.996
75 HG12 VAL 9 2HG1 VAL 9 -0.126 4.462 -2.325
76 HG13 VAL 9 3HG1 VAL 9 -0.954 3.677 -3.669
77 HG21 VAL 9 1HG2 VAL 9 -2.304 4.466 -1.152
78 HG22 VAL 9 2HG2 VAL 9 -3.088 2.949 -0.714
79 HG23 VAL 9 3HG2 VAL 9 -3.131 3.514 -2.384
80 H GLY 10 H GLY 10 -0.209 0.341 -0.486
81 HA2 GLY 10 2HA GLY 10 2.274 -0.108 -1.670
82 HA3 GLY 10 1HA GLY 10 1.661 -0.981 -0.271
83 H GLY 11 H GLY 11 -0.667 -1.975 -1.841
84 HA2 GLY 11 2HA GLY 11 0.280 -4.489 -2.554
85 HA3 GLY 11 1HA GLY 11 -1.247 -3.808 -3.104
86 H LEU 12 H LEU 12 -0.473 -1.740 -4.725
87 HA LEU 12 HA LEU 12 0.336 -3.130 -7.072
88 HB2 LEU 12 2HB LEU 12 -0.058 -1.126 -8.241
89 HB3 LEU 12 1HB LEU 12 -1.216 -1.095 -6.907
90 HG LEU 12 HG LEU 12 0.936 0.131 -5.738
91 HD11 LEU 12 1HD1 LEU 12 0.886 1.293 -8.520
92 HD12 LEU 12 2HD1 LEU 12 2.014 0.004 -8.105
93 HD13 LEU 12 3HD1 LEU 12 2.076 1.540 -7.242
94 HD21 LEU 12 1HD2 LEU 12 -0.274 2.278 -6.309
95 HD22 LEU 12 2HD2 LEU 12 -1.307 1.013 -5.644
96 HD23 LEU 12 3HD2 LEU 12 -1.311 1.332 -7.378
97 H ILE 13 H ILE 13 2.038 -1.273 -4.669
98 HA ILE 13 HA ILE 13 4.377 -0.769 -6.256
99 HB ILE 13 HB ILE 13 4.181 -0.856 -3.237
100 HG12 ILE 13 2HG1 ILE 13 3.541 1.362 -5.208
101 HG13 ILE 13 1HG1 ILE 13 2.434 0.617 -4.047
102 HG21 ILE 13 1HG2 ILE 13 6.453 -0.751 -4.403
103 HG22 ILE 13 2HG2 ILE 13 6.105 0.568 -3.286
104 HG23 ILE 13 3HG2 ILE 13 5.956 0.823 -5.025
105 HD11 ILE 13 1HD1 ILE 13 3.127 2.675 -3.051
106 HD12 ILE 13 2HD1 ILE 13 4.816 2.387 -3.465
107 HD13 ILE 13 3HD1 ILE 13 4.035 1.411 -2.222
108 H SER 14 H SER 14 3.662 -3.059 -3.611
109 HA SER 14 HA SER 14 6.080 -4.457 -3.661
110 HB2 SER 14 2HB SER 14 3.353 -5.621 -3.058
111 HB3 SER 14 1HB SER 14 4.916 -6.229 -2.499
112 HG SER 14 HG SER 14 5.036 -4.637 -1.084
113 H ALA 15 H ALA 15 3.040 -5.154 -5.386
114 HA ALA 15 HA ALA 15 3.826 -7.478 -6.700
115 HB1 ALA 15 1HB ALA 15 1.533 -6.818 -6.811
116 HB2 ALA 15 2HB ALA 15 2.148 -6.758 -8.462
117 HB3 ALA 15 3HB ALA 15 1.947 -5.268 -7.542
118 H PHE 16 H PHE 16 4.377 -4.094 -7.555
119 HA PHE 16 HA PHE 16 5.460 -4.531 -10.122
120 HB2 PHE 16 2HB PHE 16 4.725 -2.316 -9.280
121 HB3 PHE 16 1HB PHE 16 6.102 -2.300 -8.180
122 HD1 PHE 16 1HD PHE 16 8.210 -1.542 -8.910
123 HD2 PHE 16 2HD PHE 16 5.210 -2.597 -11.799
124 HE1 PHE 16 1HE PHE 16 9.656 -0.673 -10.728
125 HE2 PHE 16 2HE PHE 16 6.656 -1.728 -13.617
126 HZ PHE 16 HZ PHE 16 8.879 -0.767 -13.082
127 H LYS 17 H LYS 17 6.910 -4.475 -6.902
128 HA LYS 17 HA LYS 17 9.055 -6.159 -7.633
129 HB2 LYS 17 2HB LYS 17 9.918 -4.215 -8.817
130 HB3 LYS 17 1HB LYS 17 9.726 -3.218 -7.373
131 HG2 LYS 17 2HG LYS 17 11.422 -4.414 -6.200
132 HG3 LYS 17 1HG LYS 17 11.434 -5.714 -7.394
133 HD2 LYS 17 2HD LYS 17 13.375 -4.223 -7.702
134 HD3 LYS 17 1HD LYS 17 12.296 -4.147 -9.095
135 HE2 LYS 17 2HE LYS 17 11.449 -2.036 -8.481
136 HE3 LYS 17 1HE LYS 17 12.007 -2.196 -6.815
137 HZ1 LYS 17 1HZ LYS 17 14.291 -2.094 -7.621
138 HZ2 LYS 17 2HZ LYS 17 13.423 -0.699 -8.052
139 HZ3 LYS 17 3HZ LYS 17 13.735 -1.900 -9.211
140 HN1 NH2 17 1H LYS 17 9.979 -7.004 -5.727
141 HN2 NH2 17 2H LYS 17 9.673 -6.371 -4.173
Start of MODEL 6
1 H1 PHE 1 1HT PHE 1 4.125 5.316 7.687
2 H2 PHE 1 2HT PHE 1 3.221 5.437 9.121
3 H3 PHE 1 3HT PHE 1 2.516 5.850 7.631
4 HA PHE 1 HA PHE 1 3.337 3.308 7.198
5 HB2 PHE 1 2HB PHE 1 2.406 3.667 10.055
6 HB3 PHE 1 1HB PHE 1 2.314 2.121 9.211
7 HD1 PHE 1 1HD PHE 1 4.160 0.679 9.266
8 HD2 PHE 1 2HD PHE 1 4.742 4.880 9.957
9 HE1 PHE 1 1HE PHE 1 6.553 0.267 9.770
10 HE2 PHE 1 2HE PHE 1 7.135 4.466 10.460
11 HZ PHE 1 HZ PHE 1 8.040 2.159 10.366
12 H PHE 2 H PHE 2 1.852 3.676 5.554
13 HA PHE 2 HA PHE 2 -0.681 4.705 5.658
14 HB2 PHE 2 2HB PHE 2 -0.262 2.247 4.005
15 HB3 PHE 2 1HB PHE 2 -0.997 3.787 3.567
16 HD1 PHE 2 1HD PHE 2 0.336 5.659 2.815
17 HD2 PHE 2 2HD PHE 2 2.197 2.009 4.104
18 HE1 PHE 2 1HE PHE 2 2.494 6.423 1.861
19 HE2 PHE 2 2HE PHE 2 4.354 2.771 3.150
20 HZ PHE 2 HZ PHE 2 4.503 4.979 2.029
21 H SER 3 H SER 3 -1.819 4.205 7.522
22 HA SER 3 HA SER 3 -2.413 1.400 8.119
23 HB2 SER 3 2HB SER 3 -1.992 2.544 10.107
24 HB3 SER 3 1HB SER 3 -2.803 4.012 9.549
25 HG SER 3 HG SER 3 -3.804 2.035 10.986
26 H LEU 4 H LEU 4 -4.786 1.049 8.843
27 HA LEU 4 HA LEU 4 -7.013 0.914 8.317
28 HB2 LEU 4 2HB LEU 4 -6.658 3.464 6.733
29 HB3 LEU 4 1HB LEU 4 -8.152 2.806 7.391
30 HG LEU 4 HG LEU 4 -5.787 3.665 9.083
31 HD11 LEU 4 1HD1 LEU 4 -6.677 5.655 8.108
32 HD12 LEU 4 2HD1 LEU 4 -7.397 5.547 9.714
33 HD13 LEU 4 3HD1 LEU 4 -8.336 5.088 8.293
34 HD21 LEU 4 1HD2 LEU 4 -7.694 3.627 10.840
35 HD22 LEU 4 2HD2 LEU 4 -7.042 2.077 10.313
36 HD23 LEU 4 3HD2 LEU 4 -8.576 2.656 9.662
37 H ILE 5 H ILE 5 -5.257 2.192 5.451
38 HA ILE 5 HA ILE 5 -6.785 0.950 3.522
39 HB ILE 5 HB ILE 5 -5.425 2.172 2.323
40 HG12 ILE 5 2HG1 ILE 5 -3.217 0.229 3.078
41 HG13 ILE 5 1HG1 ILE 5 -4.367 -0.008 1.754
42 HG21 ILE 5 1HG2 ILE 5 -3.346 3.183 3.282
43 HG22 ILE 5 2HG2 ILE 5 -3.563 2.162 4.701
44 HG23 ILE 5 3HG2 ILE 5 -4.766 3.390 4.305
45 HD11 ILE 5 1HD1 ILE 5 -2.149 2.014 1.991
46 HD12 ILE 5 2HD1 ILE 5 -3.528 2.330 0.938
47 HD13 ILE 5 3HD1 ILE 5 -2.510 0.919 0.658
48 HA PRO 6 HA PRO 6 -5.890 -3.258 3.864
49 HB2 PRO 6 2HB PRO 6 -7.169 -4.116 1.701
50 HB3 PRO 6 1HB PRO 6 -8.066 -3.331 3.026
51 HG2 PRO 6 2HG PRO 6 -7.100 -2.186 0.469
52 HG3 PRO 6 1HG PRO 6 -8.690 -2.001 1.227
53 HD2 PRO 6 2HD PRO 6 -6.652 -0.137 1.409
54 HD3 PRO 6 1HD PRO 6 -7.928 -0.309 2.631
55 H SER 7 H SER 7 -4.765 -4.978 2.744
56 HA SER 7 HA SER 7 -2.343 -4.218 1.591
57 HB2 SER 7 2HB SER 7 -2.026 -6.536 1.060
58 HB3 SER 7 1HB SER 7 -2.934 -6.488 2.576
59 HG SER 7 HG SER 7 -3.693 -7.904 0.748
60 H LEU 8 H LEU 8 -5.481 -4.074 0.348
61 HA LEU 8 HA LEU 8 -5.002 -4.744 -2.384
62 HB2 LEU 8 2HB LEU 8 -7.240 -4.243 -0.979
63 HB3 LEU 8 1HB LEU 8 -7.032 -2.661 -1.743
64 HG LEU 8 HG LEU 8 -6.638 -4.100 -3.926
65 HD11 LEU 8 1HD1 LEU 8 -7.927 -6.177 -3.940
66 HD12 LEU 8 2HD1 LEU 8 -8.364 -5.948 -2.247
67 HD13 LEU 8 3HD1 LEU 8 -6.688 -6.270 -2.690
68 HD21 LEU 8 1HD2 LEU 8 -9.105 -4.027 -4.344
69 HD22 LEU 8 2HD2 LEU 8 -8.484 -2.527 -3.656
70 HD23 LEU 8 3HD2 LEU 8 -9.351 -3.673 -2.633
71 H VAL 9 H VAL 9 -5.329 -1.530 -0.856
72 HA VAL 9 HA VAL 9 -4.311 -0.179 -3.172
73 HB VAL 9 HB VAL 9 -4.714 0.798 -0.336
74 HG11 VAL 9 1HG1 VAL 9 -4.037 2.207 -2.925
75 HG12 VAL 9 2HG1 VAL 9 -3.164 2.277 -1.394
76 HG13 VAL 9 3HG1 VAL 9 -4.742 3.050 -1.544
77 HG21 VAL 9 1HG2 VAL 9 -6.824 0.151 -1.279
78 HG22 VAL 9 2HG2 VAL 9 -6.413 0.859 -2.841
79 HG23 VAL 9 3HG2 VAL 9 -6.722 1.904 -1.453
80 H GLY 10 H GLY 10 -2.962 -1.413 -0.192
81 HA2 GLY 10 2HA GLY 10 -0.448 -0.074 -0.395
82 HA3 GLY 10 1HA GLY 10 -0.819 -1.432 0.657
83 H GLY 11 H GLY 11 -1.776 -3.044 -1.653
84 HA2 GLY 11 2HA GLY 11 0.522 -4.520 -2.183
85 HA3 GLY 11 1HA GLY 11 -0.949 -4.585 -3.148
86 H LEU 12 H LEU 12 -0.890 -1.838 -4.029
87 HA LEU 12 HA LEU 12 0.759 -2.132 -6.311
88 HB2 LEU 12 2HB LEU 12 -0.014 0.022 -6.984
89 HB3 LEU 12 1HB LEU 12 -1.366 -0.772 -6.166
90 HG LEU 12 HG LEU 12 -0.146 0.474 -4.052
91 HD11 LEU 12 1HD1 LEU 12 0.685 2.598 -4.634
92 HD12 LEU 12 2HD1 LEU 12 -0.021 2.536 -6.248
93 HD13 LEU 12 3HD1 LEU 12 1.388 1.550 -5.864
94 HD21 LEU 12 1HD2 LEU 12 -1.969 2.077 -4.161
95 HD22 LEU 12 2HD2 LEU 12 -2.568 0.525 -4.743
96 HD23 LEU 12 3HD2 LEU 12 -2.162 1.800 -5.891
97 H ILE 13 H ILE 13 1.289 -0.690 -3.180
98 HA ILE 13 HA ILE 13 3.563 0.885 -3.948
99 HB ILE 13 HB ILE 13 2.600 -0.097 -1.252
100 HG12 ILE 13 2HG1 ILE 13 2.605 2.687 -2.453
101 HG13 ILE 13 1HG1 ILE 13 1.218 1.593 -2.548
102 HG21 ILE 13 1HG2 ILE 13 4.946 0.242 -0.998
103 HG22 ILE 13 2HG2 ILE 13 4.197 1.736 -0.433
104 HG23 ILE 13 3HG2 ILE 13 4.927 1.667 -2.037
105 HD11 ILE 13 1HD1 ILE 13 2.511 2.696 -0.040
106 HD12 ILE 13 2HD1 ILE 13 1.299 1.416 -0.029
107 HD13 ILE 13 3HD1 ILE 13 0.882 3.020 -0.630
108 H SER 14 H SER 14 3.212 -2.193 -2.171
109 HA SER 14 HA SER 14 5.918 -2.800 -1.901
110 HB2 SER 14 2HB SER 14 3.738 -4.832 -2.410
111 HB3 SER 14 1HB SER 14 5.244 -5.067 -1.515
112 HG SER 14 HG SER 14 3.670 -2.972 -0.651
113 H ALA 15 H ALA 15 3.694 -3.528 -4.571
114 HA ALA 15 HA ALA 15 5.447 -5.068 -6.131
115 HB1 ALA 15 1HB ALA 15 3.312 -3.182 -7.152
116 HB2 ALA 15 2HB ALA 15 2.988 -4.801 -6.532
117 HB3 ALA 15 3HB ALA 15 3.968 -4.593 -7.983
118 H PHE 16 H PHE 16 4.775 -1.570 -6.234
119 HA PHE 16 HA PHE 16 6.635 -0.963 -8.266
120 HB2 PHE 16 2HB PHE 16 4.858 0.591 -7.651
121 HB3 PHE 16 1HB PHE 16 5.552 0.779 -6.040
122 HD1 PHE 16 1HD PHE 16 5.915 1.590 -9.607
123 HD2 PHE 16 2HD PHE 16 7.655 1.995 -5.701
124 HE1 PHE 16 1HE PHE 16 7.413 3.372 -10.460
125 HE2 PHE 16 2HE PHE 16 9.154 3.777 -6.555
126 HZ PHE 16 HZ PHE 16 9.033 4.465 -8.934
127 H LYS 17 H LYS 17 6.903 -1.094 -4.746
128 HA LYS 17 HA LYS 17 9.456 0.036 -4.472
129 HB2 LYS 17 2HB LYS 17 7.757 -0.598 -2.648
130 HB3 LYS 17 1HB LYS 17 8.440 -2.221 -2.751
131 HG2 LYS 17 2HG LYS 17 10.676 -1.334 -2.261
132 HG3 LYS 17 1HG LYS 17 10.027 0.306 -2.206
133 HD2 LYS 17 2HD LYS 17 8.439 -0.552 -0.381
134 HD3 LYS 17 1HD LYS 17 9.472 -1.980 -0.308
135 HE2 LYS 17 2HE LYS 17 10.277 0.893 0.209
136 HE3 LYS 17 1HE LYS 17 10.278 -0.442 1.361
137 HZ1 LYS 17 1HZ LYS 17 11.961 -1.544 0.006
138 HZ2 LYS 17 2HZ LYS 17 12.498 -0.022 0.537
139 HZ3 LYS 17 3HZ LYS 17 11.976 -0.231 -1.067
140 HN1 NH2 17 1H LYS 17 11.563 -1.048 -4.206
141 HN2 NH2 17 2H LYS 17 11.860 -2.543 -4.972
Start of MODEL 7
1 H1 PHE 1 1HT PHE 1 -3.197 -3.606 11.163
2 H2 PHE 1 2HT PHE 1 -2.574 -3.724 9.586
3 H3 PHE 1 3HT PHE 1 -4.122 -3.073 9.845
4 HA PHE 1 HA PHE 1 -2.148 -1.678 11.351
5 HB2 PHE 1 2HB PHE 1 -1.880 -1.694 8.329
6 HB3 PHE 1 1HB PHE 1 -0.997 -0.649 9.441
7 HD1 PHE 1 1HD PHE 1 0.548 -1.699 11.155
8 HD2 PHE 1 2HD PHE 1 -1.159 -3.923 7.900
9 HE1 PHE 1 1HE PHE 1 2.260 -3.467 11.464
10 HE2 PHE 1 2HE PHE 1 0.552 -5.690 8.210
11 HZ PHE 1 HZ PHE 1 2.262 -5.462 9.992
12 H PHE 2 H PHE 2 -2.731 0.514 11.406
13 HA PHE 2 HA PHE 2 -5.256 1.184 10.010
14 HB2 PHE 2 2HB PHE 2 -5.004 0.891 12.699
15 HB3 PHE 2 1HB PHE 2 -4.612 2.601 12.538
16 HD1 PHE 2 1HD PHE 2 -7.180 0.937 13.634
17 HD2 PHE 2 2HD PHE 2 -6.303 3.300 10.154
18 HE1 PHE 2 1HE PHE 2 -9.589 1.460 13.380
19 HE2 PHE 2 2HE PHE 2 -8.712 3.820 9.901
20 HZ PHE 2 HZ PHE 2 -10.356 2.901 11.513
21 H SER 3 H SER 3 -2.750 1.672 8.851
22 HA SER 3 HA SER 3 -1.992 4.422 9.376
23 HB2 SER 3 2HB SER 3 -1.151 2.555 7.142
24 HB3 SER 3 1HB SER 3 -0.393 4.099 7.551
25 HG SER 3 HG SER 3 -0.067 1.652 8.668
26 H LEU 4 H LEU 4 -1.681 5.745 7.177
27 HA LEU 4 HA LEU 4 -4.191 6.643 6.389
28 HB2 LEU 4 2HB LEU 4 -1.528 6.817 4.965
29 HB3 LEU 4 1HB LEU 4 -2.968 7.694 4.452
30 HG LEU 4 HG LEU 4 -2.104 7.915 7.318
31 HD11 LEU 4 1HD1 LEU 4 -0.706 9.912 6.610
32 HD12 LEU 4 2HD1 LEU 4 -0.807 9.302 4.959
33 HD13 LEU 4 3HD1 LEU 4 -0.016 8.340 6.206
34 HD21 LEU 4 1HD2 LEU 4 -3.301 9.872 5.327
35 HD22 LEU 4 2HD2 LEU 4 -3.075 10.161 7.052
36 HD23 LEU 4 3HD2 LEU 4 -4.221 8.938 6.506
37 H ILE 5 H ILE 5 -2.311 5.759 3.641
38 HA ILE 5 HA ILE 5 -4.389 4.653 2.212
39 HB ILE 5 HB ILE 5 -2.869 4.898 0.657
40 HG12 ILE 5 2HG1 ILE 5 -1.292 2.709 2.047
41 HG13 ILE 5 1HG1 ILE 5 -2.520 2.461 0.797
42 HG21 ILE 5 1HG2 ILE 5 -1.724 6.419 2.186
43 HG22 ILE 5 2HG2 ILE 5 -0.544 5.552 1.206
44 HG23 ILE 5 3HG2 ILE 5 -0.827 5.066 2.877
45 HD11 ILE 5 1HD1 ILE 5 -1.055 4.032 -0.656
46 HD12 ILE 5 2HD1 ILE 5 -0.482 2.385 -0.394
47 HD13 ILE 5 3HD1 ILE 5 0.210 3.715 0.531
48 HA PRO 6 HA PRO 6 -4.861 0.637 3.738
49 HB2 PRO 6 2HB PRO 6 -6.502 -0.326 1.886
50 HB3 PRO 6 1HB PRO 6 -7.004 1.049 2.903
51 HG2 PRO 6 2HG PRO 6 -5.887 1.050 0.155
52 HG3 PRO 6 1HG PRO 6 -7.296 1.931 0.770
53 HD2 PRO 6 2HD PRO 6 -4.794 3.052 0.485
54 HD3 PRO 6 1HD PRO 6 -5.972 3.608 1.694
55 H SER 7 H SER 7 -4.422 -1.594 3.183
56 HA SER 7 HA SER 7 -1.982 -2.015 1.904
57 HB2 SER 7 2HB SER 7 -2.704 -4.433 1.832
58 HB3 SER 7 1HB SER 7 -2.836 -3.681 3.427
59 HG SER 7 HG SER 7 -4.825 -4.370 3.280
60 H LEU 8 H LEU 8 -4.998 -1.211 0.622
61 HA LEU 8 HA LEU 8 -4.973 -2.732 -1.792
62 HB2 LEU 8 2HB LEU 8 -6.819 -1.166 -0.620
63 HB3 LEU 8 1HB LEU 8 -6.194 -0.016 -1.810
64 HG LEU 8 HG LEU 8 -7.204 -2.810 -2.433
65 HD11 LEU 8 1HD1 LEU 8 -9.108 -1.696 -3.439
66 HD12 LEU 8 2HD1 LEU 8 -8.410 -0.111 -3.105
67 HD13 LEU 8 3HD1 LEU 8 -8.956 -1.132 -1.775
68 HD21 LEU 8 1HD2 LEU 8 -5.504 -2.214 -4.019
69 HD22 LEU 8 2HD2 LEU 8 -6.104 -0.559 -4.136
70 HD23 LEU 8 3HD2 LEU 8 -7.048 -1.889 -4.808
71 H VAL 9 H VAL 9 -4.160 0.710 -1.264
72 HA VAL 9 HA VAL 9 -2.962 0.957 -3.860
73 HB VAL 9 HB VAL 9 -2.823 2.764 -1.436
74 HG11 VAL 9 1HG1 VAL 9 -2.198 4.478 -3.201
75 HG12 VAL 9 2HG1 VAL 9 -1.959 3.132 -4.315
76 HG13 VAL 9 3HG1 VAL 9 -0.957 3.269 -2.869
77 HG21 VAL 9 1HG2 VAL 9 -5.097 2.517 -2.268
78 HG22 VAL 9 2HG2 VAL 9 -4.554 2.760 -3.928
79 HG23 VAL 9 3HG2 VAL 9 -4.484 4.091 -2.773
80 H GLY 10 H GLY 10 -1.813 0.270 -0.622
81 HA2 GLY 10 2HA GLY 10 0.959 0.644 -1.160
82 HA3 GLY 10 1HA GLY 10 0.275 -0.219 0.213
83 H GLY 11 H GLY 11 -1.275 -2.009 -1.584
84 HA2 GLY 11 2HA GLY 11 0.453 -4.189 -1.686
85 HA3 GLY 11 1HA GLY 11 -1.042 -4.058 -2.604
86 H LEU 12 H LEU 12 -0.305 -1.800 -4.195
87 HA LEU 12 HA LEU 12 0.983 -3.092 -6.337
88 HB2 LEU 12 2HB LEU 12 0.727 -1.090 -7.527
89 HB3 LEU 12 1HB LEU 12 -0.582 -1.027 -6.342
90 HG LEU 12 HG LEU 12 1.246 0.193 -4.855
91 HD11 LEU 12 1HD1 LEU 12 3.120 0.918 -5.886
92 HD12 LEU 12 2HD1 LEU 12 2.210 1.533 -7.264
93 HD13 LEU 12 3HD1 LEU 12 2.714 -0.154 -7.224
94 HD21 LEU 12 1HD2 LEU 12 0.407 2.345 -5.704
95 HD22 LEU 12 2HD2 LEU 12 -0.898 1.162 -5.638
96 HD23 LEU 12 3HD2 LEU 12 -0.145 1.559 -7.183
97 H ILE 13 H ILE 13 2.221 -1.181 -3.689
98 HA ILE 13 HA ILE 13 4.736 -0.492 -4.739
99 HB ILE 13 HB ILE 13 4.086 -1.154 -1.859
100 HG12 ILE 13 2HG1 ILE 13 3.894 1.501 -3.320
101 HG13 ILE 13 1HG1 ILE 13 2.503 0.489 -2.906
102 HG21 ILE 13 1HG2 ILE 13 5.915 0.431 -1.389
103 HG22 ILE 13 2HG2 ILE 13 6.173 0.652 -3.120
104 HG23 ILE 13 3HG2 ILE 13 6.493 -0.914 -2.374
105 HD11 ILE 13 1HD1 ILE 13 4.458 1.772 -0.976
106 HD12 ILE 13 2HD1 ILE 13 3.220 0.610 -0.499
107 HD13 ILE 13 3HD1 ILE 13 2.752 2.170 -1.177
108 H SER 14 H SER 14 3.768 -3.311 -2.781
109 HA SER 14 HA SER 14 6.328 -4.557 -2.874
110 HB2 SER 14 2HB SER 14 5.088 -6.574 -2.080
111 HB3 SER 14 1HB SER 14 4.759 -5.128 -1.118
112 HG SER 14 HG SER 14 2.814 -4.903 -2.147
113 H ALA 15 H ALA 15 3.320 -5.054 -4.712
114 HA ALA 15 HA ALA 15 4.199 -7.198 -6.293
115 HB1 ALA 15 1HB ALA 15 1.832 -6.159 -6.043
116 HB2 ALA 15 2HB ALA 15 2.297 -6.828 -7.607
117 HB3 ALA 15 3HB ALA 15 2.338 -5.083 -7.347
118 H PHE 16 H PHE 16 4.289 -3.695 -6.930
119 HA PHE 16 HA PHE 16 5.488 -3.860 -9.474
120 HB2 PHE 16 2HB PHE 16 4.362 -1.837 -8.438
121 HB3 PHE 16 1HB PHE 16 5.842 -1.594 -7.509
122 HD1 PHE 16 1HD PHE 16 4.253 -1.309 -10.772
123 HD2 PHE 16 2HD PHE 16 8.010 -1.186 -8.696
124 HE1 PHE 16 1HE PHE 16 5.295 -0.190 -12.725
125 HE2 PHE 16 2HE PHE 16 9.053 -0.067 -10.648
126 HZ PHE 16 HZ PHE 16 7.696 0.431 -12.663
127 H LYS 17 H LYS 17 6.796 -4.031 -6.245
128 HA LYS 17 HA LYS 17 9.277 -5.060 -7.136
129 HB2 LYS 17 2HB LYS 17 9.566 -2.625 -7.718
130 HB3 LYS 17 1HB LYS 17 9.443 -2.266 -5.996
131 HG2 LYS 17 2HG LYS 17 11.378 -3.690 -5.529
132 HG3 LYS 17 1HG LYS 17 11.482 -4.139 -7.232
133 HD2 LYS 17 2HD LYS 17 11.949 -1.830 -7.858
134 HD3 LYS 17 1HD LYS 17 11.726 -1.302 -6.189
135 HE2 LYS 17 2HE LYS 17 13.658 -2.546 -5.459
136 HE3 LYS 17 1HE LYS 17 13.813 -3.328 -7.033
137 HZ1 LYS 17 1HZ LYS 17 15.340 -1.636 -7.175
138 HZ2 LYS 17 2HZ LYS 17 14.396 -0.545 -6.278
139 HZ3 LYS 17 3HZ LYS 17 13.981 -0.911 -7.884
140 HN1 NH2 17 1H LYS 17 8.109 -3.025 -4.386
141 HN2 NH2 17 2H LYS 17 8.524 -4.168 -3.190
Start of MODEL 8
1 H1 PHE 1 1HT PHE 1 -3.782 4.883 17.244
2 H2 PHE 1 2HT PHE 1 -5.238 4.792 16.373
3 H3 PHE 1 3HT PHE 1 -4.672 6.293 16.934
4 HA PHE 1 HA PHE 1 -2.774 6.178 15.468
5 HB2 PHE 1 2HB PHE 1 -2.990 3.534 15.579
6 HB3 PHE 1 1HB PHE 1 -3.971 3.769 14.134
7 HD1 PHE 1 1HD PHE 1 -2.870 3.772 12.073
8 HD2 PHE 1 2HD PHE 1 -0.730 4.977 15.598
9 HE1 PHE 1 1HE PHE 1 -0.804 4.043 10.727
10 HE2 PHE 1 2HE PHE 1 1.336 5.247 14.251
11 HZ PHE 1 HZ PHE 1 1.298 4.780 11.816
12 H PHE 2 H PHE 2 -3.789 5.145 12.778
13 HA PHE 2 HA PHE 2 -6.245 6.602 12.324
14 HB2 PHE 2 2HB PHE 2 -4.315 8.325 12.398
15 HB3 PHE 2 1HB PHE 2 -3.823 7.628 10.855
16 HD1 PHE 2 1HD PHE 2 -5.134 7.957 8.848
17 HD2 PHE 2 2HD PHE 2 -6.519 9.430 12.637
18 HE1 PHE 2 1HE PHE 2 -6.872 9.297 7.691
19 HE2 PHE 2 2HE PHE 2 -8.257 10.770 11.482
20 HZ PHE 2 HZ PHE 2 -8.434 10.702 9.009
21 H SER 3 H SER 3 -6.485 4.238 11.747
22 HA SER 3 HA SER 3 -6.535 2.507 10.214
23 HB2 SER 3 2HB SER 3 -6.932 4.941 8.462
24 HB3 SER 3 1HB SER 3 -7.226 3.280 7.934
25 HG SER 3 HG SER 3 -9.131 3.664 8.765
26 H LEU 4 H LEU 4 -5.755 2.232 7.619
27 HA LEU 4 HA LEU 4 -3.160 3.181 7.024
28 HB2 LEU 4 2HB LEU 4 -1.909 1.053 7.403
29 HB3 LEU 4 1HB LEU 4 -2.419 1.842 8.893
30 HG LEU 4 HG LEU 4 -4.589 0.239 8.386
31 HD11 LEU 4 1HD1 LEU 4 -3.704 -1.989 7.787
32 HD12 LEU 4 2HD1 LEU 4 -2.115 -1.280 7.505
33 HD13 LEU 4 3HD1 LEU 4 -3.472 -0.840 6.471
34 HD21 LEU 4 1HD2 LEU 4 -2.053 -0.385 9.928
35 HD22 LEU 4 2HD2 LEU 4 -3.549 -1.305 10.090
36 HD23 LEU 4 3HD2 LEU 4 -3.509 0.397 10.546
37 H ILE 5 H ILE 5 -2.529 2.594 4.966
38 HA ILE 5 HA ILE 5 -4.438 1.770 3.160
39 HB ILE 5 HB ILE 5 -2.895 2.624 1.868
40 HG12 ILE 5 2HG1 ILE 5 -1.200 0.188 2.508
41 HG13 ILE 5 1HG1 ILE 5 -2.447 0.256 1.256
42 HG21 ILE 5 1HG2 ILE 5 -0.960 2.141 4.139
43 HG22 ILE 5 2HG2 ILE 5 -1.832 3.634 3.792
44 HG23 ILE 5 3HG2 ILE 5 -0.571 3.076 2.696
45 HD11 ILE 5 1HD1 ILE 5 -0.477 0.690 0.052
46 HD12 ILE 5 2HD1 ILE 5 0.212 1.666 1.349
47 HD13 ILE 5 3HD1 ILE 5 -1.105 2.308 0.366
48 HA PRO 6 HA PRO 6 -4.581 -2.529 3.492
49 HB2 PRO 6 2HB PRO 6 -6.141 -3.044 1.406
50 HB3 PRO 6 1HB PRO 6 -6.750 -2.071 2.769
51 HG2 PRO 6 2HG PRO 6 -5.672 -1.185 0.155
52 HG3 PRO 6 1HG PRO 6 -7.127 -0.623 0.993
53 HD2 PRO 6 2HD PRO 6 -4.694 0.693 1.050
54 HD3 PRO 6 1HD PRO 6 -5.905 0.827 2.342
55 H SER 7 H SER 7 -3.964 -4.468 2.337
56 HA SER 7 HA SER 7 -1.494 -4.315 1.052
57 HB2 SER 7 2HB SER 7 -1.700 -6.628 0.670
58 HB3 SER 7 1HB SER 7 -2.713 -6.365 2.094
59 HG SER 7 HG SER 7 -4.151 -5.912 -0.112
60 H LEU 8 H LEU 8 -4.560 -3.408 -0.022
61 HA LEU 8 HA LEU 8 -4.433 -4.178 -2.762
62 HB2 LEU 8 2HB LEU 8 -6.374 -3.115 -1.231
63 HB3 LEU 8 1HB LEU 8 -5.828 -1.646 -2.051
64 HG LEU 8 HG LEU 8 -6.665 -4.221 -3.425
65 HD11 LEU 8 1HD1 LEU 8 -8.022 -1.510 -3.403
66 HD12 LEU 8 2HD1 LEU 8 -8.505 -2.852 -2.365
67 HD13 LEU 8 3HD1 LEU 8 -8.634 -3.003 -4.117
68 HD21 LEU 8 1HD2 LEU 8 -6.562 -2.668 -5.459
69 HD22 LEU 8 2HD2 LEU 8 -5.007 -3.143 -4.775
70 HD23 LEU 8 3HD2 LEU 8 -5.669 -1.545 -4.434
71 H VAL 9 H VAL 9 -3.835 -0.980 -1.278
72 HA VAL 9 HA VAL 9 -2.694 0.071 -3.687
73 HB VAL 9 HB VAL 9 -2.681 1.103 -0.845
74 HG11 VAL 9 1HG1 VAL 9 -0.800 2.099 -1.954
75 HG12 VAL 9 2HG1 VAL 9 -2.101 3.289 -2.013
76 HG13 VAL 9 3HG1 VAL 9 -1.720 2.327 -3.441
77 HG21 VAL 9 1HG2 VAL 9 -4.905 1.013 -1.828
78 HG22 VAL 9 2HG2 VAL 9 -4.318 1.767 -3.310
79 HG23 VAL 9 3HG2 VAL 9 -4.365 2.691 -1.810
80 H GLY 10 H GLY 10 -1.432 -1.435 -0.783
81 HA2 GLY 10 2HA GLY 10 1.298 -0.739 -1.205
82 HA3 GLY 10 1HA GLY 10 0.705 -2.007 -0.139
83 H GLY 11 H GLY 11 -0.785 -3.292 -2.358
84 HA2 GLY 11 2HA GLY 11 1.132 -5.185 -3.144
85 HA3 GLY 11 1HA GLY 11 -0.461 -4.993 -3.868
86 H LEU 12 H LEU 12 -0.231 -2.413 -4.925
87 HA LEU 12 HA LEU 12 1.051 -2.937 -7.374
88 HB2 LEU 12 2HB LEU 12 0.285 -0.857 -8.072
89 HB3 LEU 12 1HB LEU 12 -0.839 -1.234 -6.762
90 HG LEU 12 HG LEU 12 0.991 0.005 -5.281
91 HD11 LEU 12 1HD1 LEU 12 2.188 0.319 -7.750
92 HD12 LEU 12 2HD1 LEU 12 2.483 1.346 -6.350
93 HD13 LEU 12 3HD1 LEU 12 1.311 1.838 -7.572
94 HD21 LEU 12 1HD2 LEU 12 -1.100 1.276 -7.061
95 HD22 LEU 12 2HD2 LEU 12 -0.253 2.177 -5.803
96 HD23 LEU 12 3HD2 LEU 12 -1.262 0.796 -5.372
97 H ILE 13 H ILE 13 2.213 -1.458 -4.424
98 HA ILE 13 HA ILE 13 4.507 -0.195 -5.549
99 HB ILE 13 HB ILE 13 3.922 -1.137 -2.733
100 HG12 ILE 13 2HG1 ILE 13 3.964 1.639 -3.966
101 HG13 ILE 13 1HG1 ILE 13 2.494 0.693 -3.694
102 HG21 ILE 13 1HG2 ILE 13 6.238 0.434 -3.890
103 HG22 ILE 13 2HG2 ILE 13 6.310 -1.045 -2.933
104 HG23 ILE 13 3HG2 ILE 13 5.825 0.471 -2.177
105 HD11 ILE 13 1HD1 ILE 13 2.661 2.098 -1.789
106 HD12 ILE 13 2HD1 ILE 13 4.397 1.822 -1.637
107 HD13 ILE 13 3HD1 ILE 13 3.261 0.533 -1.241
108 H SER 14 H SER 14 4.008 -3.329 -3.938
109 HA SER 14 HA SER 14 6.652 -4.242 -4.026
110 HB2 SER 14 2HB SER 14 5.161 -5.518 -2.722
111 HB3 SER 14 1HB SER 14 3.990 -5.656 -4.039
112 HG SER 14 HG SER 14 5.527 -7.498 -3.512
113 H ALA 15 H ALA 15 4.070 -4.420 -6.441
114 HA ALA 15 HA ALA 15 5.423 -6.058 -8.299
115 HB1 ALA 15 1HB ALA 15 3.001 -5.617 -8.405
116 HB2 ALA 15 2HB ALA 15 3.792 -5.211 -9.928
117 HB3 ALA 15 3HB ALA 15 3.328 -3.932 -8.807
118 H PHE 16 H PHE 16 5.200 -2.523 -7.987
119 HA PHE 16 HA PHE 16 6.733 -1.889 -10.265
120 HB2 PHE 16 2HB PHE 16 5.355 -0.211 -9.179
121 HB3 PHE 16 1HB PHE 16 6.305 -0.343 -7.700
122 HD1 PHE 16 1HD PHE 16 7.986 1.239 -7.364
123 HD2 PHE 16 2HD PHE 16 6.851 0.204 -11.376
124 HE1 PHE 16 1HE PHE 16 9.587 2.913 -8.249
125 HE2 PHE 16 2HE PHE 16 8.453 1.879 -12.261
126 HZ PHE 16 HZ PHE 16 9.820 3.233 -10.697
127 H LYS 17 H LYS 17 7.610 -2.814 -7.011
128 HA LYS 17 HA LYS 17 10.183 -1.911 -6.734
129 HB2 LYS 17 2HB LYS 17 8.878 -3.364 -5.117
130 HB3 LYS 17 1HB LYS 17 9.372 -4.749 -6.092
131 HG2 LYS 17 2HG LYS 17 11.734 -4.189 -5.730
132 HG3 LYS 17 1HG LYS 17 11.267 -2.770 -4.793
133 HD2 LYS 17 2HD LYS 17 10.304 -4.114 -3.064
134 HD3 LYS 17 1HD LYS 17 10.394 -5.570 -4.055
135 HE2 LYS 17 2HE LYS 17 12.878 -5.392 -4.040
136 HE3 LYS 17 1HE LYS 17 12.747 -3.996 -2.969
137 HZ1 LYS 17 1HZ LYS 17 11.310 -5.632 -1.571
138 HZ2 LYS 17 2HZ LYS 17 13.005 -5.688 -1.473
139 HZ3 LYS 17 3HZ LYS 17 12.167 -6.822 -2.422
140 HN1 NH2 17 1H LYS 17 9.057 -4.328 -9.036
141 HN2 NH2 17 2H LYS 17 10.593 -4.669 -9.698
Start of MODEL 9
1 H1 PHE 1 1HT PHE 1 -5.783 9.641 9.240
2 H2 PHE 1 2HT PHE 1 -6.899 9.678 10.521
3 H3 PHE 1 3HT PHE 1 -6.871 8.359 9.451
4 HA PHE 1 HA PHE 1 -4.311 8.739 10.601
5 HB2 PHE 1 2HB PHE 1 -6.693 8.911 12.374
6 HB3 PHE 1 1HB PHE 1 -5.433 7.792 12.892
7 HD1 PHE 1 1HD PHE 1 -3.540 8.604 14.017
8 HD2 PHE 1 2HD PHE 1 -5.916 11.300 11.662
9 HE1 PHE 1 1HE PHE 1 -2.180 10.512 14.830
10 HE2 PHE 1 2HE PHE 1 -4.555 13.208 12.476
11 HZ PHE 1 HZ PHE 1 -2.688 12.814 14.060
12 H PHE 2 H PHE 2 -6.258 7.178 8.794
13 HA PHE 2 HA PHE 2 -6.466 4.549 9.872
14 HB2 PHE 2 2HB PHE 2 -7.784 5.541 7.915
15 HB3 PHE 2 1HB PHE 2 -6.352 5.230 6.934
16 HD1 PHE 2 1HD PHE 2 -5.462 2.878 6.743
17 HD2 PHE 2 2HD PHE 2 -9.248 3.771 8.564
18 HE1 PHE 2 1HE PHE 2 -6.134 0.503 6.509
19 HE2 PHE 2 2HE PHE 2 -9.920 1.396 8.330
20 HZ PHE 2 HZ PHE 2 -8.363 -0.239 7.303
21 H SER 3 H SER 3 -4.464 3.908 10.675
22 HA SER 3 HA SER 3 -2.157 3.868 8.883
23 HB2 SER 3 2HB SER 3 -1.289 2.628 11.122
24 HB3 SER 3 1HB SER 3 -1.321 4.386 10.947
25 HG SER 3 HG SER 3 -3.429 4.315 11.895
26 H LEU 4 H LEU 4 -0.819 1.658 9.398
27 HA LEU 4 HA LEU 4 -0.617 -0.555 8.818
28 HB2 LEU 4 2HB LEU 4 -3.446 -0.833 9.844
29 HB3 LEU 4 1HB LEU 4 -2.207 -2.084 9.758
30 HG LEU 4 HG LEU 4 -2.019 0.424 11.453
31 HD11 LEU 4 1HD1 LEU 4 -2.312 -1.159 13.352
32 HD12 LEU 4 2HD1 LEU 4 -2.617 -2.456 12.197
33 HD13 LEU 4 3HD1 LEU 4 -3.734 -1.097 12.313
34 HD21 LEU 4 1HD2 LEU 4 0.193 -0.244 10.965
35 HD22 LEU 4 2HD2 LEU 4 -0.223 -1.958 10.988
36 HD23 LEU 4 3HD2 LEU 4 -0.144 -1.048 12.497
37 H ILE 5 H ILE 5 -0.839 0.604 6.592
38 HA ILE 5 HA ILE 5 -3.115 0.468 5.043
39 HB ILE 5 HB ILE 5 -1.703 1.491 3.722
40 HG12 ILE 5 2HG1 ILE 5 -0.251 -1.159 3.425
41 HG13 ILE 5 1HG1 ILE 5 -1.668 -0.669 2.486
42 HG21 ILE 5 1HG2 ILE 5 0.760 1.520 4.183
43 HG22 ILE 5 2HG2 ILE 5 0.494 0.274 5.401
44 HG23 ILE 5 3HG2 ILE 5 -0.226 1.871 5.600
45 HD11 ILE 5 1HD1 ILE 5 0.111 -0.095 1.068
46 HD12 ILE 5 2HD1 ILE 5 1.128 0.443 2.404
47 HD13 ILE 5 3HD1 ILE 5 -0.237 1.430 1.882
48 HA PRO 6 HA PRO 6 -3.780 -3.737 4.329
49 HB2 PRO 6 2HB PRO 6 -5.683 -3.548 2.484
50 HB3 PRO 6 1HB PRO 6 -5.953 -2.908 4.126
51 HG2 PRO 6 2HG PRO 6 -5.149 -1.480 1.655
52 HG3 PRO 6 1HG PRO 6 -6.387 -1.024 2.837
53 HD2 PRO 6 2HD PRO 6 -3.826 0.012 2.803
54 HD3 PRO 6 1HD PRO 6 -4.810 -0.097 4.278
55 H SER 7 H SER 7 -3.596 -5.359 2.660
56 HA SER 7 HA SER 7 -1.350 -5.102 1.027
57 HB2 SER 7 2HB SER 7 -2.327 -7.109 -0.190
58 HB3 SER 7 1HB SER 7 -2.137 -7.305 1.557
59 HG SER 7 HG SER 7 -4.376 -7.354 0.043
60 H LEU 8 H LEU 8 -4.405 -3.697 0.769
61 HA LEU 8 HA LEU 8 -4.806 -3.749 -2.049
62 HB2 LEU 8 2HB LEU 8 -6.300 -2.906 0.049
63 HB3 LEU 8 1HB LEU 8 -5.720 -1.349 -0.556
64 HG LEU 8 HG LEU 8 -6.428 -2.319 -2.905
65 HD11 LEU 8 1HD1 LEU 8 -8.226 -3.908 -2.847
66 HD12 LEU 8 2HD1 LEU 8 -8.324 -3.828 -1.089
67 HD13 LEU 8 3HD1 LEU 8 -6.932 -4.587 -1.860
68 HD21 LEU 8 1HD2 LEU 8 -8.410 -1.392 -0.800
69 HD22 LEU 8 2HD2 LEU 8 -8.726 -1.405 -2.535
70 HD23 LEU 8 3HD2 LEU 8 -7.466 -0.361 -1.876
71 H VAL 9 H VAL 9 -3.564 -1.103 0.006
72 HA VAL 9 HA VAL 9 -2.648 0.400 -2.260
73 HB VAL 9 HB VAL 9 -2.101 0.690 0.699
74 HG11 VAL 9 1HG1 VAL 9 -1.347 2.408 -1.676
75 HG12 VAL 9 2HG1 VAL 9 -0.276 1.743 -0.442
76 HG13 VAL 9 3HG1 VAL 9 -1.403 3.033 -0.028
77 HG21 VAL 9 1HG2 VAL 9 -4.463 1.017 -0.166
78 HG22 VAL 9 2HG2 VAL 9 -3.841 2.341 -1.151
79 HG23 VAL 9 3HG2 VAL 9 -3.758 2.437 0.608
80 H GLY 10 H GLY 10 -1.212 -1.886 -0.023
81 HA2 GLY 10 2HA GLY 10 1.495 -1.380 -0.819
82 HA3 GLY 10 1HA GLY 10 0.933 -2.722 0.168
83 H GLY 11 H GLY 11 -1.075 -3.502 -1.869
84 HA2 GLY 11 2HA GLY 11 0.350 -5.484 -3.209
85 HA3 GLY 11 1HA GLY 11 -1.254 -4.923 -3.668
86 H LEU 12 H LEU 12 -0.877 -2.399 -4.536
87 HA LEU 12 HA LEU 12 0.300 -2.786 -7.094
88 HB2 LEU 12 2HB LEU 12 -0.366 -0.529 -7.566
89 HB3 LEU 12 1HB LEU 12 -1.645 -1.276 -6.600
90 HG LEU 12 HG LEU 12 0.000 -0.230 -4.644
91 HD11 LEU 12 1HD1 LEU 12 1.381 0.946 -6.307
92 HD12 LEU 12 2HD1 LEU 12 0.467 2.103 -5.340
93 HD13 LEU 12 3HD1 LEU 12 -0.060 1.712 -6.976
94 HD21 LEU 12 1HD2 LEU 12 -1.735 1.621 -4.560
95 HD22 LEU 12 2HD2 LEU 12 -2.399 -0.013 -4.601
96 HD23 LEU 12 3HD2 LEU 12 -2.393 0.973 -6.062
97 H ILE 13 H ILE 13 1.465 -1.498 -4.080
98 HA ILE 13 HA ILE 13 3.654 -0.002 -5.113
99 HB ILE 13 HB ILE 13 3.177 -1.271 -2.410
100 HG12 ILE 13 2HG1 ILE 13 1.767 0.730 -3.417
101 HG13 ILE 13 1HG1 ILE 13 2.331 0.799 -1.742
102 HG21 ILE 13 1HG2 ILE 13 5.528 -1.056 -2.531
103 HG22 ILE 13 2HG2 ILE 13 5.002 0.426 -1.734
104 HG23 ILE 13 3HG2 ILE 13 5.431 0.450 -3.444
105 HD11 ILE 13 1HD1 ILE 13 2.727 2.872 -3.276
106 HD12 ILE 13 2HD1 ILE 13 4.033 1.912 -3.969
107 HD13 ILE 13 3HD1 ILE 13 4.051 2.317 -2.254
108 H SER 14 H SER 14 3.204 -3.376 -4.229
109 HA SER 14 HA SER 14 5.866 -4.218 -4.137
110 HB2 SER 14 2HB SER 14 3.405 -5.691 -5.108
111 HB3 SER 14 1HB SER 14 4.968 -6.455 -4.791
112 HG SER 14 HG SER 14 4.677 -6.194 -2.696
113 H ALA 15 H ALA 15 3.643 -4.224 -6.931
114 HA ALA 15 HA ALA 15 5.606 -5.048 -8.804
115 HB1 ALA 15 1HB ALA 15 3.048 -3.515 -9.318
116 HB2 ALA 15 2HB ALA 15 3.156 -5.268 -9.166
117 HB3 ALA 15 3HB ALA 15 3.967 -4.448 -10.499
118 H PHE 16 H PHE 16 4.314 -1.866 -7.904
119 HA PHE 16 HA PHE 16 5.753 -0.361 -9.804
120 HB2 PHE 16 2HB PHE 16 3.809 0.473 -8.468
121 HB3 PHE 16 1HB PHE 16 4.864 0.536 -7.056
122 HD1 PHE 16 1HD PHE 16 4.693 1.703 -10.615
123 HD2 PHE 16 2HD PHE 16 6.098 2.482 -6.630
124 HE1 PHE 16 1HE PHE 16 5.533 3.920 -11.344
125 HE2 PHE 16 2HE PHE 16 6.936 4.699 -7.359
126 HZ PHE 16 HZ PHE 16 6.654 5.417 -9.716
127 H LYS 17 H LYS 17 6.554 -1.468 -6.550
128 HA LYS 17 HA LYS 17 8.895 0.034 -6.158
129 HB2 LYS 17 2HB LYS 17 7.778 -1.243 -4.368
130 HB3 LYS 17 1HB LYS 17 8.255 -2.749 -5.152
131 HG2 LYS 17 2HG LYS 17 10.560 -2.360 -4.756
132 HG3 LYS 17 1HG LYS 17 10.293 -0.658 -4.379
133 HD2 LYS 17 2HD LYS 17 8.929 -2.728 -2.688
134 HD3 LYS 17 1HD LYS 17 10.649 -2.432 -2.434
135 HE2 LYS 17 2HE LYS 17 8.479 -0.312 -2.375
136 HE3 LYS 17 1HE LYS 17 9.274 -1.003 -0.960
137 HZ1 LYS 17 1HZ LYS 17 11.028 0.305 -1.248
138 HZ2 LYS 17 2HZ LYS 17 10.112 1.171 -2.387
139 HZ3 LYS 17 3HZ LYS 17 11.151 -0.072 -2.898
140 HN1 NH2 17 1H LYS 17 8.634 -3.358 -7.381
141 HN2 NH2 17 2H LYS 17 10.129 -3.319 -8.202
Start of MODEL 10
1 H1 PHE 1 1HT PHE 1 -8.829 4.944 13.396
2 H2 PHE 1 2HT PHE 1 -9.645 5.748 12.143
3 H3 PHE 1 3HT PHE 1 -9.440 6.505 13.649
4 HA PHE 1 HA PHE 1 -7.899 7.410 12.031
5 HB2 PHE 1 2HB PHE 1 -6.273 5.683 13.884
6 HB3 PHE 1 1HB PHE 1 -6.035 7.376 13.451
7 HD1 PHE 1 1HD PHE 1 -7.894 9.048 14.176
8 HD2 PHE 1 2HD PHE 1 -7.407 5.128 15.866
9 HE1 PHE 1 1HE PHE 1 -9.196 9.743 16.169
10 HE2 PHE 1 2HE PHE 1 -8.709 5.825 17.858
11 HZ PHE 1 HZ PHE 1 -9.604 8.132 18.009
12 H PHE 2 H PHE 2 -7.653 6.723 9.961
13 HA PHE 2 HA PHE 2 -7.269 4.224 8.946
14 HB2 PHE 2 2HB PHE 2 -5.618 6.408 7.753
15 HB3 PHE 2 1HB PHE 2 -6.689 5.251 6.970
16 HD1 PHE 2 1HD PHE 2 -6.448 8.498 7.012
17 HD2 PHE 2 2HD PHE 2 -9.150 5.574 8.623
18 HE1 PHE 2 1HE PHE 2 -8.270 10.181 7.008
19 HE2 PHE 2 2HE PHE 2 -10.973 7.256 8.620
20 HZ PHE 2 HZ PHE 2 -10.532 9.560 7.812
21 H SER 3 H SER 3 -5.965 2.813 10.034
22 HA SER 3 HA SER 3 -3.395 3.426 11.053
23 HB2 SER 3 2HB SER 3 -4.397 0.698 10.223
24 HB3 SER 3 1HB SER 3 -3.152 1.067 11.421
25 HG SER 3 HG SER 3 -5.429 0.625 12.142
26 H LEU 4 H LEU 4 -1.722 1.439 10.151
27 HA LEU 4 HA LEU 4 -0.425 2.581 7.986
28 HB2 LEU 4 2HB LEU 4 -0.403 -0.317 8.863
29 HB3 LEU 4 1HB LEU 4 0.780 0.425 7.786
30 HG LEU 4 HG LEU 4 0.237 1.651 10.483
31 HD11 LEU 4 1HD1 LEU 4 1.943 -0.771 9.871
32 HD12 LEU 4 2HD1 LEU 4 0.703 -0.601 11.114
33 HD13 LEU 4 3HD1 LEU 4 2.235 0.258 11.275
34 HD21 LEU 4 1HD2 LEU 4 2.655 2.280 10.205
35 HD22 LEU 4 2HD2 LEU 4 1.622 2.921 8.931
36 HD23 LEU 4 3HD2 LEU 4 2.632 1.510 8.619
37 H ILE 5 H ILE 5 -0.281 2.059 5.773
38 HA ILE 5 HA ILE 5 -2.646 1.649 4.424
39 HB ILE 5 HB ILE 5 -1.347 2.409 2.840
40 HG12 ILE 5 2HG1 ILE 5 -1.294 -0.004 2.101
41 HG13 ILE 5 1HG1 ILE 5 0.086 0.945 1.549
42 HG21 ILE 5 1HG2 ILE 5 0.213 3.195 4.494
43 HG22 ILE 5 2HG2 ILE 5 1.136 2.567 3.130
44 HG23 ILE 5 3HG2 ILE 5 0.971 1.605 4.598
45 HD11 ILE 5 1HD1 ILE 5 1.508 -0.440 2.602
46 HD12 ILE 5 2HD1 ILE 5 0.140 -1.456 3.056
47 HD13 ILE 5 3HD1 ILE 5 0.687 -0.180 4.141
48 HA PRO 6 HA PRO 6 -3.337 -2.612 4.457
49 HB2 PRO 6 2HB PRO 6 -5.270 -2.744 2.638
50 HB3 PRO 6 1HB PRO 6 -5.513 -1.815 4.140
51 HG2 PRO 6 2HG PRO 6 -4.716 -0.860 1.446
52 HG3 PRO 6 1HG PRO 6 -5.960 -0.202 2.522
53 HD2 PRO 6 2HD PRO 6 -3.421 0.837 2.321
54 HD3 PRO 6 1HD PRO 6 -4.390 0.942 3.807
55 H SER 7 H SER 7 -3.209 -4.505 3.053
56 HA SER 7 HA SER 7 -0.965 -4.553 1.412
57 HB2 SER 7 2HB SER 7 -1.704 -6.667 2.116
58 HB3 SER 7 1HB SER 7 -3.380 -6.337 1.659
59 HG SER 7 HG SER 7 -2.652 -7.562 0.029
60 H LEU 8 H LEU 8 -3.971 -3.093 0.904
61 HA LEU 8 HA LEU 8 -4.194 -3.517 -1.936
62 HB2 LEU 8 2HB LEU 8 -5.948 -2.675 -0.086
63 HB3 LEU 8 1HB LEU 8 -5.416 -1.102 -0.695
64 HG LEU 8 HG LEU 8 -5.792 -2.224 -3.059
65 HD11 LEU 8 1HD1 LEU 8 -7.826 -3.742 -1.414
66 HD12 LEU 8 2HD1 LEU 8 -6.293 -4.461 -1.903
67 HD13 LEU 8 3HD1 LEU 8 -7.450 -3.935 -3.125
68 HD21 LEU 8 1HD2 LEU 8 -8.257 -1.532 -2.876
69 HD22 LEU 8 2HD2 LEU 8 -7.067 -0.308 -2.429
70 HD23 LEU 8 3HD2 LEU 8 -7.926 -1.201 -1.174
71 H VAL 9 H VAL 9 -3.345 -0.581 -0.062
72 HA VAL 9 HA VAL 9 -2.378 0.770 -2.401
73 HB VAL 9 HB VAL 9 -1.946 1.444 0.517
74 HG11 VAL 9 1HG1 VAL 9 -1.655 3.756 -0.443
75 HG12 VAL 9 2HG1 VAL 9 -1.639 3.026 -2.048
76 HG13 VAL 9 3HG1 VAL 9 -0.373 2.628 -0.885
77 HG21 VAL 9 1HG2 VAL 9 -4.302 1.400 0.128
78 HG22 VAL 9 2HG2 VAL 9 -4.122 2.129 -1.468
79 HG23 VAL 9 3HG2 VAL 9 -3.831 3.094 -0.020
80 H GLY 10 H GLY 10 -0.903 -1.059 0.221
81 HA2 GLY 10 2HA GLY 10 1.794 -0.410 -0.442
82 HA3 GLY 10 1HA GLY 10 1.270 -1.726 0.602
83 H GLY 11 H GLY 11 -0.498 -2.813 -1.516
84 HA2 GLY 11 2HA GLY 11 1.259 -4.703 -2.632
85 HA3 GLY 11 1HA GLY 11 -0.402 -4.432 -3.143
86 H LEU 12 H LEU 12 -0.114 -1.721 -3.992
87 HA LEU 12 HA LEU 12 0.685 -2.094 -6.649
88 HB2 LEU 12 2HB LEU 12 0.191 0.165 -6.995
89 HB3 LEU 12 1HB LEU 12 -0.814 -0.255 -5.604
90 HG LEU 12 HG LEU 12 1.380 0.516 -4.266
91 HD11 LEU 12 1HD1 LEU 12 2.781 1.978 -5.346
92 HD12 LEU 12 2HD1 LEU 12 1.507 2.593 -6.397
93 HD13 LEU 12 3HD1 LEU 12 2.288 1.058 -6.766
94 HD21 LEU 12 1HD2 LEU 12 -0.582 2.488 -5.479
95 HD22 LEU 12 2HD2 LEU 12 0.319 2.696 -3.978
96 HD23 LEU 12 3HD2 LEU 12 -0.931 1.459 -4.091
97 H ILE 13 H ILE 13 2.544 -1.202 -3.834
98 HA ILE 13 HA ILE 13 4.774 -0.079 -5.206
99 HB ILE 13 HB ILE 13 4.575 -1.388 -2.483
100 HG12 ILE 13 2HG1 ILE 13 4.788 1.540 -3.246
101 HG13 ILE 13 1HG1 ILE 13 3.247 0.728 -2.935
102 HG21 ILE 13 1HG2 ILE 13 6.816 0.108 -3.860
103 HG22 ILE 13 2HG2 ILE 13 6.875 -1.494 -3.123
104 HG23 ILE 13 3HG2 ILE 13 6.727 -0.060 -2.107
105 HD11 ILE 13 1HD1 ILE 13 5.550 1.082 -0.997
106 HD12 ILE 13 2HD1 ILE 13 4.154 0.053 -0.679
107 HD13 ILE 13 3HD1 ILE 13 3.941 1.792 -0.879
108 H SER 14 H SER 14 4.005 -3.349 -4.067
109 HA SER 14 HA SER 14 6.491 -4.493 -4.900
110 HB2 SER 14 2HB SER 14 5.188 -5.588 -3.175
111 HB3 SER 14 1HB SER 14 3.810 -5.754 -4.271
112 HG SER 14 HG SER 14 6.010 -6.750 -5.428
113 H ALA 15 H ALA 15 3.289 -4.161 -6.362
114 HA ALA 15 HA ALA 15 3.667 -5.830 -8.587
115 HB1 ALA 15 1HB ALA 15 1.958 -3.385 -8.141
116 HB2 ALA 15 2HB ALA 15 1.459 -5.076 -8.165
117 HB3 ALA 15 3HB ALA 15 1.938 -4.276 -9.663
118 H PHE 16 H PHE 16 4.193 -2.318 -8.255
119 HA PHE 16 HA PHE 16 5.191 -1.930 -10.869
120 HB2 PHE 16 2HB PHE 16 4.360 -0.125 -9.329
121 HB3 PHE 16 1HB PHE 16 5.862 -0.294 -8.418
122 HD1 PHE 16 1HD PHE 16 7.900 0.657 -9.203
123 HD2 PHE 16 2HD PHE 16 4.462 0.504 -11.774
124 HE1 PHE 16 1HE PHE 16 9.058 2.119 -10.839
125 HE2 PHE 16 2HE PHE 16 5.618 1.965 -13.409
126 HZ PHE 16 HZ PHE 16 7.916 2.774 -12.942
127 H LYS 17 H LYS 17 6.689 -2.899 -7.853
128 HA LYS 17 HA LYS 17 9.384 -2.476 -8.495
129 HB2 LYS 17 2HB LYS 17 8.369 -3.177 -6.250
130 HB3 LYS 17 1HB LYS 17 8.377 -4.821 -6.886
131 HG2 LYS 17 2HG LYS 17 10.457 -4.775 -5.857
132 HG3 LYS 17 1HG LYS 17 10.898 -4.236 -7.478
133 HD2 LYS 17 2HD LYS 17 10.788 -1.894 -6.758
134 HD3 LYS 17 1HD LYS 17 10.266 -2.395 -5.150
135 HE2 LYS 17 2HE LYS 17 12.412 -3.729 -4.977
136 HE3 LYS 17 1HE LYS 17 12.937 -2.943 -6.466
137 HZ1 LYS 17 1HZ LYS 17 13.566 -1.906 -4.212
138 HZ2 LYS 17 2HZ LYS 17 11.969 -1.329 -4.202
139 HZ3 LYS 17 3HZ LYS 17 13.027 -0.890 -5.458
140 HN1 NH2 17 1H LYS 17 7.278 -5.276 -9.251
141 HN2 NH2 17 2H LYS 17 8.387 -6.010 -10.320
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