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 |
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|
6691 |
1jdk   |
5136 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 1 1H ACE 1 -0.898 -0.947 2.811
2 2H ACE 1 2H ACE 1 0.748 -0.763 2.132
3 3H ACE 1 3H ACE 1 0.530 -1.186 3.848
4 H ILE 2 H ILE 2 -0.744 1.238 1.622
5 HA ILE 2 HA ILE 2 -0.222 3.450 3.658
6 HB ILE 2 HB ILE 2 1.209 3.165 1.170
7 1HG1 ILE 2 1HG1 ILE 2 2.235 5.385 1.775
8 2HG1 ILE 2 2HG1 ILE 2 1.072 5.557 3.081
9 1HG2 ILE 2 1HG2 ILE 2 -0.689 4.209 -0.100
10 2HG2 ILE 2 2HG2 ILE 2 -0.516 5.678 0.882
11 3HG2 ILE 2 3HG2 ILE 2 0.819 5.132 -0.166
12 1HD1 ILE 2 1HD1 ILE 2 3.334 4.689 3.837
13 2HD1 ILE 2 2HD1 ILE 2 2.061 3.509 4.216
14 3HD1 ILE 2 3HD1 ILE 2 3.135 3.244 2.824
15 H TRP 3 H TRP 3 -1.739 5.003 3.871
16 HA TRP 3 HA TRP 3 -4.514 4.303 2.835
17 1HB TRP 3 1HB TRP 3 -3.641 6.169 5.118
18 2HB TRP 3 2HB TRP 3 -5.283 6.032 4.545
19 HD1 TRP 3 HD1 TRP 3 -6.775 4.005 5.369
20 HE1 TRP 3 HE1 TRP 3 -6.484 1.912 6.956
21 HE3 TRP 3 HE3 TRP 3 -1.712 4.342 5.837
22 HZ2 TRP 3 HZ2 TRP 3 -4.204 0.669 8.150
23 HZ3 TRP 3 HZ3 TRP 3 -0.511 2.637 7.176
24 HH2 TRP 3 HH2 TRP 3 -1.739 0.830 8.314
25 H GLY 4 H GLY 4 -4.022 4.904 0.780
26 1HA GLY 4 1HA GLY 4 -5.095 7.473 -0.133
27 2HA GLY 4 2HA GLY 4 -3.331 7.601 -0.181
28 H GLU 5 H GLU 5 -2.170 5.922 -1.399
29 HA GLU 5 HA GLU 5 -3.772 4.468 -3.554
30 1HB GLU 5 1HB GLU 5 -2.917 6.824 -4.326
31 2HB GLU 5 2HB GLU 5 -1.308 6.143 -4.326
32 1HG GLU 5 1HG GLU 5 -3.726 5.192 -5.990
33 2HG GLU 5 2HG GLU 5 -2.418 6.189 -6.578
34 H SER 6 H SER 6 -3.258 2.438 -3.041
35 HA SER 6 HA SER 6 -0.356 1.571 -2.866
36 1HB SER 6 1HB SER 6 -0.540 0.240 -0.829
37 2HB SER 6 2HB SER 6 -0.740 1.956 -0.521
38 HG SER 6 HG SER 6 -2.947 1.664 -0.348
39 H GLY 7 H GLY 7 -2.430 -0.973 -1.868
40 1HA GLY 7 1HA GLY 7 -3.773 -2.484 -3.334
41 2HA GLY 7 2HA GLY 7 -2.989 -1.854 -4.765
42 H LYS 8 H LYS 8 -0.629 -2.305 -4.939
43 HA LYS 8 HA LYS 8 -0.060 -5.185 -4.351
44 1HB LYS 8 1HB LYS 8 0.400 -4.143 -6.581
45 2HB LYS 8 2HB LYS 8 1.624 -3.109 -5.861
46 1HG LYS 8 1HG LYS 8 2.911 -5.251 -5.167
47 2HG LYS 8 2HG LYS 8 1.677 -6.193 -5.986
48 1HD LYS 8 1HD LYS 8 3.532 -6.027 -7.504
49 2HD LYS 8 2HD LYS 8 2.244 -5.049 -8.170
50 1HE LYS 8 1HE LYS 8 4.339 -3.864 -8.496
51 2HE LYS 8 2HE LYS 8 3.404 -2.937 -7.331
52 1HZ LYS 8 1HZ LYS 8 5.730 -3.190 -6.697
53 2HZ LYS 8 2HZ LYS 8 5.612 -4.821 -6.673
54 H LEU 9 H LEU 9 2.054 -2.305 -3.795
55 HA LEU 9 HA LEU 9 2.602 -3.199 -0.974
56 1HB LEU 9 1HB LEU 9 4.200 -4.576 -2.345
57 2HB LEU 9 2HB LEU 9 4.872 -3.120 -3.046
58 HG LEU 9 HG LEU 9 5.655 -2.396 -0.721
59 1HD1 LEU 9 1HD1 LEU 9 5.769 -4.134 1.104
60 2HD1 LEU 9 2HD1 LEU 9 4.091 -3.708 0.733
61 3HD1 LEU 9 3HD1 LEU 9 4.768 -5.240 0.130
62 1HD2 LEU 9 1HD2 LEU 9 7.199 -3.520 -2.332
63 2HD2 LEU 9 2HD2 LEU 9 7.584 -3.981 -0.663
64 3HD2 LEU 9 3HD2 LEU 9 6.714 -5.120 -1.720
65 H ILE 10 H ILE 10 4.198 -0.991 -3.293
66 HA ILE 10 HA ILE 10 3.241 1.365 -1.650
67 HB ILE 10 HB ILE 10 5.403 0.665 -0.619
68 1HG1 ILE 10 1HG1 ILE 10 6.436 3.047 -0.592
69 2HG1 ILE 10 2HG1 ILE 10 5.187 3.518 -1.729
70 1HG2 ILE 10 1HG2 ILE 10 6.928 1.757 -3.054
71 2HG2 ILE 10 2HG2 ILE 10 7.597 1.179 -1.527
72 3HG2 ILE 10 3HG2 ILE 10 6.801 0.034 -2.618
73 1HD1 ILE 10 1HD1 ILE 10 3.420 2.876 0.001
74 2HD1 ILE 10 2HD1 ILE 10 4.712 2.303 1.088
75 3HD1 ILE 10 3HD1 ILE 10 4.597 4.029 0.671
76 1HN DAB 11 1HN DAB 11 1.870 1.885 -3.326
77 HA DAB 11 HA DAB 11 2.945 2.478 -6.037
78 1HB DAB 11 1HB DAB 11 0.855 1.369 -5.807
79 2HB DAB 11 2HB DAB 11 0.152 2.611 -4.821
80 1HG DAB 11 1HG DAB 11 1.082 3.400 -7.638
81 2HG DAB 11 2HG DAB 11 -0.292 2.324 -7.512
82 2HD DAB 11 2HD DAB 11 -0.250 5.216 -6.638
83 H THR 12 H THR 12 1.918 4.639 -3.294
84 HA THR 12 HA THR 12 2.203 7.116 -4.795
85 HB THR 12 HB THR 12 2.536 8.307 -2.601
86 HG1 THR 12 HG1 THR 12 2.232 7.075 -0.734
87 1HG2 THR 12 1HG2 THR 12 0.202 7.919 -3.454
88 2HG2 THR 12 2HG2 THR 12 0.131 6.409 -2.508
89 3HG2 THR 12 3HG2 THR 12 0.302 7.968 -1.678
90 H THR 13 H THR 13 4.629 5.775 -2.487
91 HA THR 13 HA THR 13 6.839 7.272 -4.024
92 HB THR 13 HB THR 13 8.264 6.952 -2.025
93 HG1 THR 13 HG1 THR 13 7.134 5.164 -1.182
94 1HG2 THR 13 1HG2 THR 13 7.232 8.640 -0.543
95 2HG2 THR 13 2HG2 THR 13 7.010 9.112 -2.244
96 3HG2 THR 13 3HG2 THR 13 5.648 8.422 -1.325
97 H ALA 14 H ALA 14 6.671 5.685 -5.688
98 HA ALA 14 HA ALA 14 7.534 2.845 -5.127
99 1HB ALA 14 1HB ALA 14 5.706 3.275 -6.752
100 2HB ALA 14 2HB ALA 14 6.805 4.225 -7.786
101 3HB ALA 14 3HB ALA 14 7.086 2.485 -7.541
102 HXT ALA 14 HXT ALA 14 9.439 3.241 -4.329
Start of MODEL 2
1 1H ACE 1 1H ACE 1 -12.849 4.659 -9.640
2 2H ACE 1 2H ACE 1 -11.510 5.642 -10.281
3 3H ACE 1 3H ACE 1 -11.490 3.863 -10.470
4 H ILE 2 H ILE 2 -9.315 4.741 -9.455
5 HA ILE 2 HA ILE 2 -9.346 4.948 -6.478
6 HB ILE 2 HB ILE 2 -9.578 2.456 -6.973
7 1HG1 ILE 2 1HG1 ILE 2 -7.739 1.800 -5.217
8 2HG1 ILE 2 2HG1 ILE 2 -7.359 3.512 -5.149
9 1HG2 ILE 2 1HG2 ILE 2 -6.594 2.394 -7.679
10 2HG2 ILE 2 2HG2 ILE 2 -7.715 1.030 -7.523
11 3HG2 ILE 2 3HG2 ILE 2 -7.921 2.186 -8.852
12 1HD1 ILE 2 1HD1 ILE 2 -10.135 2.226 -4.597
13 2HD1 ILE 2 2HD1 ILE 2 -8.993 2.811 -3.364
14 3HD1 ILE 2 3HD1 ILE 2 -9.793 3.968 -4.456
15 H TRP 3 H TRP 3 -8.263 6.846 -6.490
16 HA TRP 3 HA TRP 3 -5.388 6.799 -7.452
17 1HB TRP 3 1HB TRP 3 -6.872 7.860 -9.270
18 2HB TRP 3 2HB TRP 3 -7.144 9.207 -8.177
19 HD1 TRP 3 HD1 TRP 3 -5.049 10.969 -7.880
20 HE1 TRP 3 HE1 TRP 3 -2.695 11.301 -9.039
21 HE3 TRP 3 HE3 TRP 3 -4.972 6.494 -10.335
22 HZ2 TRP 3 HZ2 TRP 3 -1.121 9.661 -10.772
23 HZ3 TRP 3 HZ3 TRP 3 -3.001 5.919 -11.716
24 HH2 TRP 3 HH2 TRP 3 -1.104 7.475 -11.925
25 H GLY 4 H GLY 4 -4.553 6.859 -5.499
26 1HA GLY 4 1HA GLY 4 -4.245 9.231 -3.915
27 2HA GLY 4 2HA GLY 4 -5.598 8.389 -3.155
28 H GLU 5 H GLU 5 -5.205 6.094 -2.584
29 HA GLU 5 HA GLU 5 -2.293 5.420 -1.911
30 1HB GLU 5 1HB GLU 5 -3.607 6.549 0.070
31 2HB GLU 5 2HB GLU 5 -4.525 5.069 0.186
32 1HG GLU 5 1HG GLU 5 -1.498 5.488 0.596
33 2HG GLU 5 2HG GLU 5 -2.700 5.172 1.818
34 H SER 6 H SER 6 -2.166 3.792 -3.370
35 HA SER 6 HA SER 6 -3.695 1.311 -2.798
36 1HB SER 6 1HB SER 6 -4.582 0.884 -5.081
37 2HB SER 6 2HB SER 6 -5.271 2.346 -4.393
38 HG SER 6 HG SER 6 -4.622 2.622 -6.541
39 H GLY 7 H GLY 7 -2.838 -0.637 -4.263
40 1HA GLY 7 1HA GLY 7 -0.919 -1.518 -5.498
41 2HA GLY 7 2HA GLY 7 0.138 -0.277 -4.855
42 H LYS 8 H LYS 8 -0.768 -3.500 -4.451
43 HA LYS 8 HA LYS 8 -0.626 -3.896 -1.631
44 1HB LYS 8 1HB LYS 8 -0.287 -6.239 -1.991
45 2HB LYS 8 2HB LYS 8 -1.517 -5.595 -3.052
46 1HG LYS 8 1HG LYS 8 0.201 -5.581 -4.960
47 2HG LYS 8 2HG LYS 8 1.354 -6.372 -3.902
48 1HD LYS 8 1HD LYS 8 -1.404 -7.559 -4.674
49 2HD LYS 8 2HD LYS 8 0.088 -7.843 -5.534
50 1HE LYS 8 1HE LYS 8 -0.097 -9.773 -4.229
51 2HE LYS 8 2HE LYS 8 1.118 -8.833 -3.370
52 1HZ LYS 8 1HZ LYS 8 -1.772 -8.980 -2.665
53 2HZ LYS 8 2HZ LYS 8 -0.661 -8.106 -1.845
54 H LEU 9 H LEU 9 2.222 -4.077 -3.806
55 HA LEU 9 HA LEU 9 4.061 -4.446 -1.444
56 1HB LEU 9 1HB LEU 9 4.460 -5.679 -3.582
57 2HB LEU 9 2HB LEU 9 4.676 -4.165 -4.436
58 HG LEU 9 HG LEU 9 6.711 -3.663 -2.973
59 1HD1 LEU 9 1HD1 LEU 9 7.784 -5.564 -1.714
60 2HD1 LEU 9 2HD1 LEU 9 6.236 -5.111 -0.984
61 3HD1 LEU 9 3HD1 LEU 9 6.346 -6.577 -1.989
62 1HD2 LEU 9 1HD2 LEU 9 6.830 -6.276 -4.616
63 2HD2 LEU 9 2HD2 LEU 9 6.949 -4.623 -5.267
64 3HD2 LEU 9 3HD2 LEU 9 8.215 -5.241 -4.191
65 H ILE 10 H ILE 10 4.011 -2.018 -4.090
66 HA ILE 10 HA ILE 10 5.011 0.099 -2.126
67 HB ILE 10 HB ILE 10 5.514 1.504 -4.191
68 1HG1 ILE 10 1HG1 ILE 10 6.386 0.215 -6.199
69 2HG1 ILE 10 2HG1 ILE 10 5.457 -1.183 -5.707
70 1HG2 ILE 10 1HG2 ILE 10 7.788 0.529 -4.358
71 2HG2 ILE 10 2HG2 ILE 10 7.224 0.497 -2.684
72 3HG2 ILE 10 3HG2 ILE 10 7.220 -0.999 -3.648
73 1HD1 ILE 10 1HD1 ILE 10 4.457 0.287 -7.558
74 2HD1 ILE 10 2HD1 ILE 10 3.343 0.009 -6.209
75 3HD1 ILE 10 3HD1 ILE 10 4.198 1.575 -6.356
76 1HN DAB 11 1HN DAB 11 3.419 0.892 -1.118
77 HA DAB 11 HA DAB 11 0.715 1.432 -2.388
78 1HB DAB 11 1HB DAB 11 0.955 0.211 -0.164
79 2HB DAB 11 2HB DAB 11 1.393 1.726 0.589
80 1HG DAB 11 1HG DAB 11 -1.265 1.136 -0.905
81 2HG DAB 11 2HG DAB 11 -1.021 0.988 0.831
82 2HD DAB 11 2HD DAB 11 -0.477 3.749 -0.282
83 H THR 12 H THR 12 1.350 3.055 -3.664
84 HA THR 12 HA THR 12 1.079 5.811 -2.608
85 HB THR 12 HB THR 12 3.449 5.654 -2.142
86 HG1 THR 12 HG1 THR 12 4.091 7.422 -3.415
87 1HG2 THR 12 1HG2 THR 12 5.239 5.470 -3.821
88 2HG2 THR 12 2HG2 THR 12 4.275 3.978 -3.846
89 3HG2 THR 12 3HG2 THR 12 4.068 5.197 -5.130
90 H THR 13 H THR 13 -0.348 6.610 -3.979
91 HA THR 13 HA THR 13 -0.047 6.180 -7.004
92 HB THR 13 HB THR 13 -2.661 5.716 -5.446
93 HG1 THR 13 HG1 THR 13 -2.362 3.614 -6.130
94 1HG2 THR 13 1HG2 THR 13 -3.590 4.944 -7.632
95 2HG2 THR 13 2HG2 THR 13 -3.081 6.640 -7.762
96 3HG2 THR 13 3HG2 THR 13 -2.069 5.357 -8.464
97 H ALA 14 H ALA 14 0.791 8.254 -7.039
98 HA ALA 14 HA ALA 14 -1.276 10.477 -7.052
99 1HB ALA 14 1HB ALA 14 0.128 12.033 -5.684
100 2HB ALA 14 2HB ALA 14 -0.346 10.613 -4.733
101 3HB ALA 14 3HB ALA 14 1.312 10.738 -5.369
102 HXT ALA 14 HXT ALA 14 2.150 10.032 -7.290
Start of MODEL 3
1 1H ACE 1 1H ACE 1 -17.027 3.308 -3.893
2 2H ACE 1 2H ACE 1 -15.633 2.366 -4.476
3 3H ACE 1 3H ACE 1 -16.353 2.011 -2.876
4 H ILE 2 H ILE 2 -13.831 2.346 -2.724
5 HA ILE 2 HA ILE 2 -12.991 5.184 -2.303
6 HB ILE 2 HB ILE 2 -14.285 4.541 -0.199
7 1HG1 ILE 2 1HG1 ILE 2 -12.473 5.542 1.399
8 2HG1 ILE 2 2HG1 ILE 2 -11.434 5.640 -0.012
9 1HG2 ILE 2 1HG2 ILE 2 -13.412 2.211 0.204
10 2HG2 ILE 2 2HG2 ILE 2 -11.852 2.911 0.710
11 3HG2 ILE 2 3HG2 ILE 2 -13.328 3.279 1.617
12 1HD1 ILE 2 1HD1 ILE 2 -13.195 7.133 -1.140
13 2HD1 ILE 2 2HD1 ILE 2 -14.239 6.944 0.290
14 3HD1 ILE 2 3HD1 ILE 2 -12.680 7.788 0.433
15 H TRP 3 H TRP 3 -11.335 4.992 -3.723
16 HA TRP 3 HA TRP 3 -8.961 3.336 -2.871
17 1HB TRP 3 1HB TRP 3 -10.328 1.832 -4.376
18 2HB TRP 3 2HB TRP 3 -10.137 2.977 -5.690
19 HD1 TRP 3 HD1 TRP 3 -7.755 2.955 -7.009
20 HE1 TRP 3 HE1 TRP 3 -5.680 1.323 -7.075
21 HE3 TRP 3 HE3 TRP 3 -8.925 0.357 -2.769
22 HZ2 TRP 3 HZ2 TRP 3 -4.860 -0.853 -5.426
23 HZ3 TRP 3 HZ3 TRP 3 -7.468 -1.519 -2.079
24 HH2 TRP 3 HH2 TRP 3 -5.466 -2.117 -3.387
25 H GLY 4 H GLY 4 -7.604 4.966 -2.680
26 1HA GLY 4 1HA GLY 4 -7.304 7.131 -4.883
27 2HA GLY 4 2HA GLY 4 -6.994 7.435 -3.186
28 H GLU 5 H GLU 5 -5.182 6.401 -2.225
29 HA GLU 5 HA GLU 5 -2.952 5.547 -4.185
30 1HB GLU 5 1HB GLU 5 -2.350 7.716 -3.454
31 2HB GLU 5 2HB GLU 5 -2.669 7.369 -1.769
32 1HG GLU 5 1HG GLU 5 -0.252 7.510 -2.293
33 2HG GLU 5 2HG GLU 5 -0.683 6.018 -1.525
34 H SER 6 H SER 6 -3.270 3.438 -4.030
35 HA SER 6 HA SER 6 -2.442 1.995 -1.608
36 1HB SER 6 1HB SER 6 -5.392 1.517 -2.444
37 2HB SER 6 2HB SER 6 -4.492 0.454 -1.372
38 HG SER 6 HG SER 6 -4.665 3.229 -0.884
39 H GLY 7 H GLY 7 -2.354 -0.562 -2.138
40 1HA GLY 7 1HA GLY 7 -2.641 -1.468 -4.846
41 2HA GLY 7 2HA GLY 7 -0.994 -0.866 -4.731
42 H LYS 8 H LYS 8 0.498 -2.322 -3.945
43 HA LYS 8 HA LYS 8 -0.210 -4.501 -2.066
44 1HB LYS 8 1HB LYS 8 -1.046 -5.451 -4.273
45 2HB LYS 8 2HB LYS 8 0.569 -5.333 -4.932
46 1HG LYS 8 1HG LYS 8 0.188 -7.616 -4.330
47 2HG LYS 8 2HG LYS 8 1.392 -7.007 -3.208
48 1HD LYS 8 1HD LYS 8 -0.395 -6.718 -1.441
49 2HD LYS 8 2HD LYS 8 -1.631 -7.277 -2.554
50 1HE LYS 8 1HE LYS 8 0.794 -8.974 -1.619
51 2HE LYS 8 2HE LYS 8 -0.792 -8.999 -0.854
52 1HZ LYS 8 1HZ LYS 8 -1.751 -9.743 -2.960
53 2HZ LYS 8 2HZ LYS 8 -0.287 -9.731 -3.684
54 H LEU 9 H LEU 9 2.380 -3.758 -4.492
55 HA LEU 9 HA LEU 9 4.496 -4.745 -2.717
56 1HB LEU 9 1HB LEU 9 4.626 -4.802 -5.205
57 2HB LEU 9 2HB LEU 9 4.710 -3.053 -5.258
58 HG LEU 9 HG LEU 9 6.918 -3.150 -3.975
59 1HD1 LEU 9 1HD1 LEU 9 6.722 -5.382 -2.855
60 2HD1 LEU 9 2HD1 LEU 9 6.707 -6.207 -4.434
61 3HD1 LEU 9 3HD1 LEU 9 8.162 -5.340 -3.882
62 1HD2 LEU 9 1HD2 LEU 9 6.840 -4.692 -6.651
63 2HD2 LEU 9 2HD2 LEU 9 6.859 -2.920 -6.462
64 3HD2 LEU 9 3HD2 LEU 9 8.260 -3.877 -5.949
65 H ILE 10 H ILE 10 4.270 -1.320 -3.858
66 HA ILE 10 HA ILE 10 4.651 -0.379 -1.018
67 HB ILE 10 HB ILE 10 6.917 -0.911 -1.708
68 1HG1 ILE 10 1HG1 ILE 10 6.492 0.705 0.086
69 2HG1 ILE 10 2HG1 ILE 10 8.047 0.851 -0.693
70 1HG2 ILE 10 1HG2 ILE 10 7.045 -0.369 -4.119
71 2HG2 ILE 10 2HG2 ILE 10 6.948 1.373 -3.762
72 3HG2 ILE 10 3HG2 ILE 10 8.333 0.426 -3.198
73 1HD1 ILE 10 1HD1 ILE 10 7.177 3.094 -0.208
74 2HD1 ILE 10 2HD1 ILE 10 7.238 2.899 -1.973
75 3HD1 ILE 10 3HD1 ILE 10 5.679 2.789 -1.115
76 1HN DAB 11 1HN DAB 11 2.632 0.516 -1.138
77 HA DAB 11 HA DAB 11 2.476 3.241 -2.078
78 1HB DAB 11 1HB DAB 11 1.992 1.786 -4.336
79 2HB DAB 11 2HB DAB 11 0.389 1.645 -3.685
80 1HG DAB 11 1HG DAB 11 1.938 4.207 -4.423
81 2HG DAB 11 2HG DAB 11 0.554 3.526 -5.277
82 2HD DAB 11 2HD DAB 11 -0.441 4.104 -2.647
83 H THR 12 H THR 12 1.668 3.735 -0.085
84 HA THR 12 HA THR 12 -1.131 2.865 0.611
85 HB THR 12 HB THR 12 1.111 2.272 2.647
86 HG1 THR 12 HG1 THR 12 -0.463 0.593 1.008
87 1HG2 THR 12 1HG2 THR 12 -1.077 2.842 3.770
88 2HG2 THR 12 2HG2 THR 12 -1.920 1.638 2.760
89 3HG2 THR 12 3HG2 THR 12 -0.698 1.116 3.945
90 H THR 13 H THR 13 -1.888 4.885 0.631
91 HA THR 13 HA THR 13 -1.039 6.746 2.850
92 HB THR 13 HB THR 13 -1.146 7.867 -0.015
93 HG1 THR 13 HG1 THR 13 1.079 8.246 0.401
94 1HG2 THR 13 1HG2 THR 13 -0.314 9.220 2.636
95 2HG2 THR 13 2HG2 THR 13 -0.235 9.952 1.015
96 3HG2 THR 13 3HG2 THR 13 -1.812 9.557 1.730
97 H ALA 14 H ALA 14 -2.925 6.849 3.855
98 HA ALA 14 HA ALA 14 -5.577 6.704 2.406
99 1HB ALA 14 1HB ALA 14 -5.240 5.341 4.456
100 2HB ALA 14 2HB ALA 14 -4.955 6.810 5.426
101 3HB ALA 14 3HB ALA 14 -6.546 6.518 4.686
102 HXT ALA 14 HXT ALA 14 -5.382 8.521 1.331
Start of MODEL 4
1 1H ACE 1 1H ACE 1 -8.255 3.208 -12.654
2 2H ACE 1 2H ACE 1 -6.650 3.830 -12.198
3 3H ACE 1 3H ACE 1 -7.221 2.261 -11.554
4 H ILE 2 H ILE 2 -6.357 3.981 -9.788
5 HA ILE 2 HA ILE 2 -8.580 5.594 -8.605
6 HB ILE 2 HB ILE 2 -8.980 3.182 -7.842
7 1HG1 ILE 2 1HG1 ILE 2 -9.425 3.923 -5.364
8 2HG1 ILE 2 2HG1 ILE 2 -8.808 5.494 -5.842
9 1HG2 ILE 2 1HG2 ILE 2 -6.705 3.568 -5.825
10 2HG2 ILE 2 2HG2 ILE 2 -7.826 2.201 -5.958
11 3HG2 ILE 2 3HG2 ILE 2 -6.633 2.487 -7.240
12 1HD1 ILE 2 1HD1 ILE 2 -11.195 3.985 -7.144
13 2HD1 ILE 2 2HD1 ILE 2 -11.321 5.344 -6.007
14 3HD1 ILE 2 3HD1 ILE 2 -10.651 5.609 -7.635
15 H TRP 3 H TRP 3 -7.424 7.432 -8.672
16 HA TRP 3 HA TRP 3 -4.547 7.523 -7.823
17 1HB TRP 3 1HB TRP 3 -6.351 9.705 -8.994
18 2HB TRP 3 2HB TRP 3 -4.754 10.027 -8.377
19 HD1 TRP 3 HD1 TRP 3 -2.658 9.534 -9.881
20 HE1 TRP 3 HE1 TRP 3 -2.214 8.613 -12.317
21 HE3 TRP 3 HE3 TRP 3 -7.352 7.727 -10.665
22 HZ2 TRP 3 HZ2 TRP 3 -3.844 7.192 -14.192
23 HZ3 TRP 3 HZ3 TRP 3 -7.853 6.550 -12.788
24 HH2 TRP 3 HH2 TRP 3 -6.123 6.283 -14.520
25 H GLY 4 H GLY 4 -4.820 6.927 -5.731
26 1HA GLY 4 1HA GLY 4 -5.028 9.253 -3.775
27 2HA GLY 4 2HA GLY 4 -6.196 7.949 -3.529
28 H GLU 5 H GLU 5 -5.459 6.049 -2.625
29 HA GLU 5 HA GLU 5 -2.472 5.635 -2.119
30 1HB GLU 5 1HB GLU 5 -3.664 6.753 -0.099
31 2HB GLU 5 2HB GLU 5 -4.523 5.250 0.143
32 1HG GLU 5 1HG GLU 5 -1.467 5.719 0.250
33 2HG GLU 5 2HG GLU 5 -2.538 5.512 1.611
34 H SER 6 H SER 6 -2.235 3.892 -3.398
35 HA SER 6 HA SER 6 -3.664 1.386 -2.689
36 1HB SER 6 1HB SER 6 -4.510 0.856 -5.021
37 2HB SER 6 2HB SER 6 -5.310 2.239 -4.294
38 HG SER 6 HG SER 6 -3.095 2.409 -6.070
39 H GLY 7 H GLY 7 -2.743 -0.607 -4.002
40 1HA GLY 7 1HA GLY 7 -0.806 -1.333 -5.406
41 2HA GLY 7 2HA GLY 7 0.225 -0.152 -4.618
42 H LYS 8 H LYS 8 -0.625 -3.398 -4.527
43 HA LYS 8 HA LYS 8 -0.610 -4.035 -1.728
44 1HB LYS 8 1HB LYS 8 -1.329 -5.538 -3.612
45 2HB LYS 8 2HB LYS 8 0.355 -5.813 -4.042
46 1HG LYS 8 1HG LYS 8 0.746 -6.838 -1.742
47 2HG LYS 8 2HG LYS 8 -0.940 -6.526 -1.324
48 1HD LYS 8 1HD LYS 8 -1.687 -8.017 -3.236
49 2HD LYS 8 2HD LYS 8 0.003 -8.322 -3.656
50 1HE LYS 8 1HE LYS 8 0.386 -9.360 -1.362
51 2HE LYS 8 2HE LYS 8 -1.306 -9.054 -0.943
52 1HZ LYS 8 1HZ LYS 8 -0.949 -11.302 -1.751
53 2HZ LYS 8 2HZ LYS 8 -0.365 -10.766 -3.182
54 H LEU 9 H LEU 9 2.280 -4.277 -3.891
55 HA LEU 9 HA LEU 9 4.107 -4.629 -1.554
56 1HB LEU 9 1HB LEU 9 4.499 -5.765 -3.754
57 2HB LEU 9 2HB LEU 9 4.735 -4.210 -4.529
58 HG LEU 9 HG LEU 9 6.774 -3.810 -3.043
59 1HD1 LEU 9 1HD1 LEU 9 6.366 -6.760 -2.194
60 2HD1 LEU 9 2HD1 LEU 9 7.818 -5.781 -1.870
61 3HD1 LEU 9 3HD1 LEU 9 6.274 -5.339 -1.124
62 1HD2 LEU 9 1HD2 LEU 9 8.259 -5.349 -4.330
63 2HD2 LEU 9 2HD2 LEU 9 6.861 -6.346 -4.803
64 3HD2 LEU 9 3HD2 LEU 9 7.003 -4.666 -5.378
65 H ILE 10 H ILE 10 3.850 -2.033 -4.034
66 HA ILE 10 HA ILE 10 4.944 -0.033 -1.987
67 HB ILE 10 HB ILE 10 5.617 1.398 -3.991
68 1HG1 ILE 10 1HG1 ILE 10 6.587 0.126 -5.962
69 2HG1 ILE 10 2HG1 ILE 10 5.585 -1.251 -5.565
70 1HG2 ILE 10 1HG2 ILE 10 7.873 0.374 -4.029
71 2HG2 ILE 10 2HG2 ILE 10 7.200 0.319 -2.396
72 3HG2 ILE 10 3HG2 ILE 10 7.224 -1.156 -3.391
73 1HD1 ILE 10 1HD1 ILE 10 4.454 1.562 -6.219
74 2HD1 ILE 10 2HD1 ILE 10 4.754 0.301 -7.439
75 3HD1 ILE 10 3HD1 ILE 10 3.547 0.020 -6.174
76 1HN DAB 11 1HN DAB 11 3.327 0.844 -1.070
77 HA DAB 11 HA DAB 11 0.692 1.392 -2.452
78 1HB DAB 11 1HB DAB 11 0.830 0.294 -0.157
79 2HB DAB 11 2HB DAB 11 1.331 1.823 0.525
80 1HG DAB 11 1HG DAB 11 -1.336 1.285 -0.970
81 2HG DAB 11 2HG DAB 11 -1.113 1.202 0.771
82 2HD DAB 11 2HD DAB 11 -0.497 3.886 -0.524
83 H THR 12 H THR 12 1.299 2.965 -3.756
84 HA THR 12 HA THR 12 1.863 5.760 -2.584
85 HB THR 12 HB THR 12 2.961 4.714 -5.256
86 HG1 THR 12 HG1 THR 12 4.929 4.921 -4.109
87 1HG2 THR 12 1HG2 THR 12 2.641 7.230 -5.266
88 2HG2 THR 12 2HG2 THR 12 3.554 7.352 -3.743
89 3HG2 THR 12 3HG2 THR 12 4.360 6.791 -5.228
90 H THR 13 H THR 13 0.975 5.038 -5.967
91 HA THR 13 HA THR 13 -1.883 5.719 -5.562
92 HB THR 13 HB THR 13 -0.891 7.995 -5.325
93 HG1 THR 13 HG1 THR 13 -2.888 7.922 -6.038
94 1HG2 THR 13 1HG2 THR 13 -0.025 9.295 -7.219
95 2HG2 THR 13 2HG2 THR 13 1.063 7.918 -6.937
96 3HG2 THR 13 3HG2 THR 13 -0.086 7.886 -8.299
97 H ALA 14 H ALA 14 -3.083 4.881 -7.193
98 HA ALA 14 HA ALA 14 -1.632 3.639 -9.587
99 1HB ALA 14 1HB ALA 14 -4.440 3.034 -8.473
100 2HB ALA 14 2HB ALA 14 -3.654 2.222 -9.846
101 3HB ALA 14 3HB ALA 14 -2.965 2.063 -8.221
102 HXT ALA 14 HXT ALA 14 -2.654 6.264 -11.532
Start of MODEL 5
1 1H ACE 1 1H ACE 1 6.605 1.088 -9.797
2 2H ACE 1 2H ACE 1 5.067 0.708 -8.989
3 3H ACE 1 3H ACE 1 5.213 0.548 -10.765
4 H ILE 2 H ILE 2 3.225 1.929 -10.366
5 HA ILE 2 HA ILE 2 3.695 4.839 -9.845
6 HB ILE 2 HB ILE 2 4.424 4.464 -12.256
7 1HG1 ILE 2 1HG1 ILE 2 3.131 6.553 -13.135
8 2HG1 ILE 2 2HG1 ILE 2 2.322 6.585 -11.578
9 1HG2 ILE 2 1HG2 ILE 2 2.886 4.341 -14.109
10 2HG2 ILE 2 2HG2 ILE 2 2.596 2.931 -13.073
11 3HG2 ILE 2 3HG2 ILE 2 1.466 4.310 -13.051
12 1HD1 ILE 2 1HD1 ILE 2 5.394 6.705 -12.040
13 2HD1 ILE 2 2HD1 ILE 2 4.346 8.094 -11.670
14 3HD1 ILE 2 3HD1 ILE 2 4.609 6.830 -10.446
15 H TRP 3 H TRP 3 2.244 4.834 -8.195
16 HA TRP 3 HA TRP 3 -0.690 4.489 -8.920
17 1HB TRP 3 1HB TRP 3 0.296 3.321 -6.250
18 2HB TRP 3 2HB TRP 3 -1.228 3.072 -7.030
19 HD1 TRP 3 HD1 TRP 3 -1.080 1.291 -9.385
20 HE1 TRP 3 HE1 TRP 3 0.421 -0.855 -9.744
21 HE3 TRP 3 HE3 TRP 3 2.276 2.367 -5.756
22 HZ2 TRP 3 HZ2 TRP 3 2.823 -1.796 -8.480
23 HZ3 TRP 3 HZ3 TRP 3 4.174 0.803 -5.334
24 HH2 TRP 3 HH2 TRP 3 4.442 -1.240 -6.695
25 H GLY 4 H GLY 4 -2.109 5.542 -7.449
26 1HA GLY 4 1HA GLY 4 -1.049 8.130 -6.250
27 2HA GLY 4 2HA GLY 4 -2.743 7.666 -6.309
28 H GLU 5 H GLU 5 -3.378 5.841 -4.859
29 HA GLU 5 HA GLU 5 -1.645 5.154 -2.544
30 1HB GLU 5 1HB GLU 5 -3.058 7.465 -2.025
31 2HB GLU 5 2HB GLU 5 -4.280 6.320 -1.552
32 1HG GLU 5 1HG GLU 5 -1.475 6.761 -0.396
33 2HG GLU 5 2HG GLU 5 -3.014 6.952 0.400
34 H SER 6 H SER 6 -1.896 3.028 -2.948
35 HA SER 6 HA SER 6 -4.661 1.786 -2.832
36 1HB SER 6 1HB SER 6 -4.494 0.500 -4.922
37 2HB SER 6 2HB SER 6 -4.491 2.228 -5.237
38 HG SER 6 HG SER 6 -2.160 2.078 -5.323
39 H GLY 7 H GLY 7 -2.499 -0.525 -4.041
40 1HA GLY 7 1HA GLY 7 -0.982 -1.228 -1.636
41 2HA GLY 7 2HA GLY 7 -2.554 -2.008 -1.511
42 H LYS 8 H LYS 8 0.410 -1.875 -3.305
43 HA LYS 8 HA LYS 8 -0.077 -4.692 -4.407
44 1HB LYS 8 1HB LYS 8 -0.473 -3.032 -6.247
45 2HB LYS 8 2HB LYS 8 1.106 -2.333 -5.992
46 1HG LYS 8 1HG LYS 8 1.208 -3.765 -7.941
47 2HG LYS 8 2HG LYS 8 2.219 -4.458 -6.694
48 1HD LYS 8 1HD LYS 8 1.069 -6.254 -7.806
49 2HD LYS 8 2HD LYS 8 0.442 -6.174 -6.169
50 1HE LYS 8 1HE LYS 8 -1.630 -4.956 -7.022
51 2HE LYS 8 2HE LYS 8 -0.977 -4.998 -8.668
52 1HZ LYS 8 1HZ LYS 8 -1.006 -7.416 -8.566
53 2HZ LYS 8 2HZ LYS 8 -2.501 -6.805 -8.304
54 H LEU 9 H LEU 9 2.758 -2.535 -4.648
55 HA LEU 9 HA LEU 9 4.335 -4.463 -2.863
56 1HB LEU 9 1HB LEU 9 5.237 -4.072 -5.172
57 2HB LEU 9 2HB LEU 9 5.344 -2.354 -4.852
58 HG LEU 9 HG LEU 9 7.020 -2.819 -2.990
59 1HD1 LEU 9 1HD1 LEU 9 6.968 -5.723 -4.068
60 2HD1 LEU 9 2HD1 LEU 9 8.173 -5.061 -2.935
61 3HD1 LEU 9 3HD1 LEU 9 6.481 -5.202 -2.436
62 1HD2 LEU 9 1HD2 LEU 9 7.804 -3.849 -5.796
63 2HD2 LEU 9 2HD2 LEU 9 7.757 -2.144 -5.283
64 3HD2 LEU 9 3HD2 LEU 9 8.925 -3.254 -4.545
65 H ILE 10 H ILE 10 4.520 -0.965 -3.466
66 HA ILE 10 HA ILE 10 4.176 -0.441 -0.480
67 HB ILE 10 HB ILE 10 6.448 0.123 -1.659
68 1HG1 ILE 10 1HG1 ILE 10 5.248 2.301 0.141
69 2HG1 ILE 10 2HG1 ILE 10 5.630 0.688 0.724
70 1HG2 ILE 10 1HG2 ILE 10 5.128 2.839 -2.354
71 2HG2 ILE 10 2HG2 ILE 10 6.816 2.384 -2.571
72 3HG2 ILE 10 3HG2 ILE 10 5.577 1.618 -3.562
73 1HD1 ILE 10 1HD1 ILE 10 7.523 2.126 1.226
74 2HD1 ILE 10 2HD1 ILE 10 8.027 0.930 -0.002
75 3HD1 ILE 10 3HD1 ILE 10 7.691 2.617 -0.482
76 1HN DAB 11 1HN DAB 11 2.540 0.852 0.191
77 HA DAB 11 HA DAB 11 0.238 1.331 -1.284
78 1HB DAB 11 1HB DAB 11 0.542 1.483 1.211
79 2HB DAB 11 2HB DAB 11 1.170 3.106 1.062
80 1HG DAB 11 1HG DAB 11 -1.669 2.214 0.201
81 2HG DAB 11 2HG DAB 11 -1.267 2.831 1.799
82 2HD DAB 11 2HD DAB 11 -0.425 4.831 -0.152
83 H THR 12 H THR 12 2.766 3.916 -1.022
84 HA THR 12 HA THR 12 1.120 5.714 -2.790
85 HB THR 12 HB THR 12 2.919 7.404 -2.523
86 HG1 THR 12 HG1 THR 12 4.387 7.001 -0.812
87 1HG2 THR 12 1HG2 THR 12 0.943 7.440 -0.988
88 2HG2 THR 12 2HG2 THR 12 1.794 6.365 0.152
89 3HG2 THR 12 3HG2 THR 12 2.423 7.999 -0.173
90 H THR 13 H THR 13 4.622 5.431 -3.353
91 HA THR 13 HA THR 13 4.077 4.246 -6.122
92 HB THR 13 HB THR 13 5.475 6.951 -5.608
93 HG1 THR 13 HG1 THR 13 3.103 6.662 -5.789
94 1HG2 THR 13 1HG2 THR 13 5.200 5.454 -8.291
95 2HG2 THR 13 2HG2 THR 13 5.723 7.144 -8.098
96 3HG2 THR 13 3HG2 THR 13 6.729 5.826 -7.462
97 H ALA 14 H ALA 14 5.559 2.812 -6.678
98 HA ALA 14 HA ALA 14 7.969 2.310 -4.899
99 1HB ALA 14 1HB ALA 14 6.778 0.576 -7.156
100 2HB ALA 14 2HB ALA 14 8.147 0.134 -6.109
101 3HB ALA 14 3HB ALA 14 6.538 0.357 -5.405
102 HXT ALA 14 HXT ALA 14 8.965 3.012 -8.790
Start of MODEL 6
1 1H ACE 1 1H ACE 1 -3.400 17.901 1.680
2 2H ACE 1 2H ACE 1 -4.143 17.922 0.063
3 3H ACE 1 3H ACE 1 -5.138 18.253 1.512
4 H ILE 2 H ILE 2 -6.177 16.503 0.110
5 HA ILE 2 HA ILE 2 -5.937 13.947 1.644
6 HB ILE 2 HB ILE 2 -8.198 14.928 1.036
7 1HG1 ILE 2 1HG1 ILE 2 -8.013 11.902 0.552
8 2HG1 ILE 2 2HG1 ILE 2 -7.652 12.613 2.109
9 1HG2 ILE 2 1HG2 ILE 2 -7.997 13.280 -1.581
10 2HG2 ILE 2 2HG2 ILE 2 -9.407 14.160 -0.989
11 3HG2 ILE 2 3HG2 ILE 2 -7.978 15.057 -1.524
12 1HD1 ILE 2 1HD1 ILE 2 -9.983 11.898 2.114
13 2HD1 ILE 2 2HD1 ILE 2 -9.931 13.675 2.227
14 3HD1 ILE 2 3HD1 ILE 2 -10.362 12.891 0.685
15 H TRP 3 H TRP 3 -4.989 12.079 1.095
16 HA TRP 3 HA TRP 3 -4.274 11.439 -1.766
17 1HB TRP 3 1HB TRP 3 -2.360 12.847 -0.850
18 2HB TRP 3 2HB TRP 3 -2.055 11.625 0.372
19 HD1 TRP 3 HD1 TRP 3 -1.727 12.334 -3.420
20 HE1 TRP 3 HE1 TRP 3 -0.290 10.494 -4.680
21 HE3 TRP 3 HE3 TRP 3 -1.122 9.218 0.589
22 HZ2 TRP 3 HZ2 TRP 3 0.827 8.009 -3.856
23 HZ3 TRP 3 HZ3 TRP 3 0.123 7.111 0.283
24 HH2 TRP 3 HH2 TRP 3 1.090 6.513 -1.893
25 H GLY 4 H GLY 4 -5.160 9.483 -1.899
26 1HA GLY 4 1HA GLY 4 -4.443 7.278 0.150
27 2HA GLY 4 2HA GLY 4 -6.093 7.510 -0.415
28 H GLU 5 H GLU 5 -2.868 6.508 -1.318
29 HA GLU 5 HA GLU 5 -3.994 5.060 -3.773
30 1HB GLU 5 1HB GLU 5 -2.514 7.267 -4.226
31 2HB GLU 5 2HB GLU 5 -1.162 6.210 -3.914
32 1HG GLU 5 1HG GLU 5 -3.310 5.924 -6.099
33 2HG GLU 5 2HG GLU 5 -1.663 6.448 -6.328
34 H SER 6 H SER 6 -3.762 2.951 -3.407
35 HA SER 6 HA SER 6 -1.217 1.806 -2.317
36 1HB SER 6 1HB SER 6 -2.256 0.466 -0.499
37 2HB SER 6 2HB SER 6 -2.480 2.179 -0.204
38 HG SER 6 HG SER 6 -4.591 1.961 -1.141
39 H GLY 7 H GLY 7 -1.567 -0.841 -2.250
40 1HA GLY 7 1HA GLY 7 -3.352 -2.090 -4.055
41 2HA GLY 7 2HA GLY 7 -2.063 -1.537 -5.115
42 H LYS 8 H LYS 8 -0.099 -2.625 -5.067
43 HA LYS 8 HA LYS 8 -0.143 -5.365 -3.861
44 1HB LYS 8 1HB LYS 8 0.465 -4.992 -6.248
45 2HB LYS 8 2HB LYS 8 1.872 -4.065 -5.770
46 1HG LYS 8 1HG LYS 8 2.607 -6.250 -6.418
47 2HG LYS 8 2HG LYS 8 2.878 -6.110 -4.689
48 1HD LYS 8 1HD LYS 8 0.777 -7.465 -4.250
49 2HD LYS 8 2HD LYS 8 0.474 -7.562 -5.990
50 1HE LYS 8 1HE LYS 8 2.678 -8.804 -6.299
51 2HE LYS 8 2HE LYS 8 2.981 -8.697 -4.559
52 1HZ LYS 8 1HZ LYS 8 0.637 -10.040 -5.796
53 2HZ LYS 8 2HZ LYS 8 0.920 -9.943 -4.190
54 H LEU 9 H LEU 9 2.445 -2.839 -3.813
55 HA LEU 9 HA LEU 9 2.995 -3.533 -0.907
56 1HB LEU 9 1HB LEU 9 4.430 -5.053 -2.328
57 2HB LEU 9 2HB LEU 9 5.168 -3.654 -3.077
58 HG LEU 9 HG LEU 9 6.085 -2.957 -0.792
59 1HD1 LEU 9 1HD1 LEU 9 4.496 -4.143 0.739
60 2HD1 LEU 9 2HD1 LEU 9 5.042 -5.725 0.131
61 3HD1 LEU 9 3HD1 LEU 9 6.154 -4.678 1.049
62 1HD2 LEU 9 1HD2 LEU 9 7.488 -4.200 -2.443
63 2HD2 LEU 9 2HD2 LEU 9 7.905 -4.666 -0.784
64 3HD2 LEU 9 3HD2 LEU 9 6.922 -5.758 -1.791
65 H ILE 10 H ILE 10 4.218 -1.410 -3.529
66 HA ILE 10 HA ILE 10 3.919 0.940 -1.647
67 HB ILE 10 HB ILE 10 6.231 0.111 -1.276
68 1HG1 ILE 10 1HG1 ILE 10 7.408 2.382 -1.521
69 2HG1 ILE 10 2HG1 ILE 10 5.979 2.981 -2.342
70 1HG2 ILE 10 1HG2 ILE 10 8.109 0.471 -2.770
71 2HG2 ILE 10 2HG2 ILE 10 6.954 -0.577 -3.606
72 3HG2 ILE 10 3HG2 ILE 10 7.092 1.146 -4.045
73 1HD1 ILE 10 1HD1 ILE 10 6.046 3.548 0.115
74 2HD1 ILE 10 2HD1 ILE 10 4.619 2.545 -0.237
75 3HD1 ILE 10 3HD1 ILE 10 6.056 1.817 0.534
76 1HN DAB 11 1HN DAB 11 2.135 1.595 -2.867
77 HA DAB 11 HA DAB 11 2.669 2.504 -5.730
78 1HB DAB 11 1HB DAB 11 0.723 1.001 -5.253
79 2HB DAB 11 2HB DAB 11 0.003 2.216 -4.220
80 1HG DAB 11 1HG DAB 11 0.668 2.696 -7.207
81 2HG DAB 11 2HG DAB 11 -0.835 1.979 -6.675
82 2HD DAB 11 2HD DAB 11 0.039 4.859 -6.003
83 H THR 12 H THR 12 4.048 4.164 -4.977
84 HA THR 12 HA THR 12 2.659 6.584 -3.743
85 HB THR 12 HB THR 12 4.972 7.467 -3.280
86 HG1 THR 12 HG1 THR 12 5.781 4.833 -3.906
87 1HG2 THR 12 1HG2 THR 12 4.347 4.762 -1.947
88 2HG2 THR 12 2HG2 THR 12 5.464 6.004 -1.328
89 3HG2 THR 12 3HG2 THR 12 3.723 6.350 -1.444
90 H THR 13 H THR 13 2.518 8.458 -4.718
91 HA THR 13 HA THR 13 3.042 8.611 -7.684
92 HB THR 13 HB THR 13 1.603 10.607 -5.836
93 HG1 THR 13 HG1 THR 13 0.584 8.638 -7.599
94 1HG2 THR 13 1HG2 THR 13 0.522 11.437 -7.937
95 2HG2 THR 13 2HG2 THR 13 2.278 11.692 -8.007
96 3HG2 THR 13 3HG2 THR 13 1.538 10.353 -8.921
97 H ALA 14 H ALA 14 5.112 9.055 -8.120
98 HA ALA 14 HA ALA 14 6.789 10.966 -6.521
99 1HB ALA 14 1HB ALA 14 7.789 8.866 -7.396
100 2HB ALA 14 2HB ALA 14 7.489 9.379 -9.075
101 3HB ALA 14 3HB ALA 14 8.628 10.284 -8.051
102 HXT ALA 14 HXT ALA 14 5.941 10.765 -9.875
Start of MODEL 7
1 1H ACE 1 1H ACE 1 6.694 4.511 -0.250
2 2H ACE 1 2H ACE 1 6.105 4.692 1.421
3 3H ACE 1 3H ACE 1 6.706 3.110 0.851
4 H ILE 2 H ILE 2 4.138 3.761 1.955
5 HA ILE 2 HA ILE 2 2.195 3.292 -0.319
6 HB ILE 2 HB ILE 2 3.071 1.031 0.384
7 1HG1 ILE 2 1HG1 ILE 2 0.736 -0.088 0.469
8 2HG1 ILE 2 2HG1 ILE 2 0.044 1.528 0.445
9 1HG2 ILE 2 1HG2 ILE 2 3.102 1.247 2.905
10 2HG2 ILE 2 2HG2 ILE 2 1.320 1.157 2.904
11 3HG2 ILE 2 3HG2 ILE 2 2.279 -0.201 2.302
12 1HD1 ILE 2 1HD1 ILE 2 0.223 0.412 -1.841
13 2HD1 ILE 2 2HD1 ILE 2 1.130 1.937 -1.800
14 3HD1 ILE 2 3HD1 ILE 2 1.985 0.378 -1.688
15 H TRP 3 H TRP 3 1.293 5.281 0.026
16 HA TRP 3 HA TRP 3 -0.661 5.393 2.263
17 1HB TRP 3 1HB TRP 3 -0.177 7.388 3.313
18 2HB TRP 3 2HB TRP 3 1.293 6.464 3.346
19 HD1 TRP 3 HD1 TRP 3 0.046 9.919 2.648
20 HE1 TRP 3 HE1 TRP 3 1.942 11.512 1.724
21 HE3 TRP 3 HE3 TRP 3 3.274 6.245 1.434
22 HZ2 TRP 3 HZ2 TRP 3 4.571 11.020 0.693
23 HZ3 TRP 3 HZ3 TRP 3 5.542 6.841 0.522
24 HH2 TRP 3 HH2 TRP 3 6.164 9.194 0.171
25 H GLY 4 H GLY 4 -2.460 6.020 1.433
26 1HA GLY 4 1HA GLY 4 -4.018 7.576 0.192
27 2HA GLY 4 2HA GLY 4 -2.706 8.120 -0.818
28 H GLU 5 H GLU 5 -1.676 5.928 -1.844
29 HA GLU 5 HA GLU 5 -3.920 4.736 -3.606
30 1HB GLU 5 1HB GLU 5 -2.498 6.361 -4.845
31 2HB GLU 5 2HB GLU 5 -1.039 5.475 -4.463
32 1HG GLU 5 1HG GLU 5 -3.373 4.361 -6.147
33 2HG GLU 5 2HG GLU 5 -2.033 5.251 -6.811
34 H SER 6 H SER 6 -4.192 2.692 -2.884
35 HA SER 6 HA SER 6 -1.874 1.239 -1.480
36 1HB SER 6 1HB SER 6 -3.399 -0.369 -0.464
37 2HB SER 6 2HB SER 6 -3.697 1.271 0.044
38 HG SER 6 HG SER 6 -5.419 1.373 -1.463
39 H GLY 7 H GLY 7 -3.993 -1.117 -2.648
40 1HA GLY 7 1HA GLY 7 -3.931 -2.516 -4.619
41 2HA GLY 7 2HA GLY 7 -2.789 -1.438 -5.385
42 H LYS 8 H LYS 8 -0.582 -1.511 -4.421
43 HA LYS 8 HA LYS 8 0.303 -4.388 -3.796
44 1HB LYS 8 1HB LYS 8 2.207 -4.172 -5.251
45 2HB LYS 8 2HB LYS 8 0.739 -3.869 -6.143
46 1HG LYS 8 1HG LYS 8 1.203 -1.364 -6.051
47 2HG LYS 8 2HG LYS 8 2.698 -1.680 -5.168
48 1HD LYS 8 1HD LYS 8 3.551 -3.058 -7.123
49 2HD LYS 8 2HD LYS 8 2.045 -2.745 -7.995
50 1HE LYS 8 1HE LYS 8 2.543 -0.236 -7.920
51 2HE LYS 8 2HE LYS 8 4.065 -0.582 -7.084
52 1HZ LYS 8 1HZ LYS 8 3.328 -1.551 -9.792
53 2HZ LYS 8 2HZ LYS 8 4.368 -0.332 -9.462
54 H LEU 9 H LEU 9 3.003 -3.885 -3.365
55 HA LEU 9 HA LEU 9 2.862 -2.863 -0.554
56 1HB LEU 9 1HB LEU 9 4.929 -3.941 -0.117
57 2HB LEU 9 2HB LEU 9 3.841 -4.994 -0.954
58 HG LEU 9 HG LEU 9 5.284 -4.167 -3.151
59 1HD1 LEU 9 1HD1 LEU 9 6.803 -2.629 -1.821
60 2HD1 LEU 9 2HD1 LEU 9 7.352 -4.009 -0.852
61 3HD1 LEU 9 3HD1 LEU 9 7.704 -3.941 -2.596
62 1HD2 LEU 9 1HD2 LEU 9 6.216 -6.366 -1.194
63 2HD2 LEU 9 2HD2 LEU 9 4.969 -6.543 -2.452
64 3HD2 LEU 9 3HD2 LEU 9 6.654 -6.241 -2.917
65 H ILE 10 H ILE 10 4.054 -1.399 -3.467
66 HA ILE 10 HA ILE 10 4.914 0.989 -1.873
67 HB ILE 10 HB ILE 10 6.978 -0.251 -1.926
68 1HG1 ILE 10 1HG1 ILE 10 6.975 2.227 -1.793
69 2HG1 ILE 10 2HG1 ILE 10 8.474 1.471 -2.267
70 1HG2 ILE 10 1HG2 ILE 10 7.211 -0.023 -4.982
71 2HG2 ILE 10 2HG2 ILE 10 8.459 -0.591 -3.859
72 3HG2 ILE 10 3HG2 ILE 10 6.964 -1.523 -4.059
73 1HD1 ILE 10 1HD1 ILE 10 8.125 2.156 -4.671
74 2HD1 ILE 10 2HD1 ILE 10 6.584 2.935 -4.226
75 3HD1 ILE 10 3HD1 ILE 10 8.121 3.543 -3.566
76 1HN DAB 11 1HN DAB 11 3.226 2.156 -2.673
77 HA DAB 11 HA DAB 11 3.308 2.958 -5.563
78 1HB DAB 11 1HB DAB 11 1.868 0.830 -5.384
79 2HB DAB 11 2HB DAB 11 0.733 1.692 -4.379
80 1HG DAB 11 1HG DAB 11 1.490 2.498 -7.275
81 2HG DAB 11 2HG DAB 11 0.199 1.384 -6.892
82 2HD DAB 11 2HD DAB 11 0.167 4.384 -6.335
83 H THR 12 H THR 12 3.430 5.075 -5.222
84 HA THR 12 HA THR 12 1.285 6.485 -3.521
85 HB THR 12 HB THR 12 4.255 7.275 -3.593
86 HG1 THR 12 HG1 THR 12 4.025 6.753 -1.358
87 1HG2 THR 12 1HG2 THR 12 3.638 8.937 -1.847
88 2HG2 THR 12 2HG2 THR 12 2.699 9.280 -3.308
89 3HG2 THR 12 3HG2 THR 12 1.925 8.461 -1.924
90 H THR 13 H THR 13 0.044 6.944 -5.240
91 HA THR 13 HA THR 13 1.060 9.032 -7.223
92 HB THR 13 HB THR 13 -0.526 6.538 -8.099
93 HG1 THR 13 HG1 THR 13 1.389 6.200 -9.312
94 1HG2 THR 13 1HG2 THR 13 0.606 8.863 -9.801
95 2HG2 THR 13 2HG2 THR 13 -0.156 7.382 -10.429
96 3HG2 THR 13 3HG2 THR 13 -1.124 8.549 -9.504
97 H ALA 14 H ALA 14 -0.069 10.655 -6.355
98 HA ALA 14 HA ALA 14 -2.906 10.386 -5.409
99 1HB ALA 14 1HB ALA 14 -2.677 12.772 -4.741
100 2HB ALA 14 2HB ALA 14 -1.308 11.814 -4.150
101 3HB ALA 14 3HB ALA 14 -1.100 12.886 -5.557
102 HXT ALA 14 HXT ALA 14 -1.348 12.437 -7.729
Start of MODEL 8
1 1H ACE 1 1H ACE 1 -2.282 17.787 2.207
2 2H ACE 1 2H ACE 1 -4.015 18.134 2.426
3 3H ACE 1 3H ACE 1 -3.304 16.686 3.180
4 H ILE 2 H ILE 2 -2.046 15.364 1.458
5 HA ILE 2 HA ILE 2 -4.027 14.516 -0.617
6 HB ILE 2 HB ILE 2 -2.619 16.303 -1.751
7 1HG1 ILE 2 1HG1 ILE 2 -2.240 14.876 -3.907
8 2HG1 ILE 2 2HG1 ILE 2 -2.866 13.516 -2.994
9 1HG2 ILE 2 1HG2 ILE 2 -0.321 14.283 -1.972
10 2HG2 ILE 2 2HG2 ILE 2 -0.425 15.908 -2.669
11 3HG2 ILE 2 3HG2 ILE 2 -0.313 15.713 -0.911
12 1HD1 ILE 2 1HD1 ILE 2 -5.043 14.828 -2.627
13 2HD1 ILE 2 2HD1 ILE 2 -4.334 16.208 -3.499
14 3HD1 ILE 2 3HD1 ILE 2 -4.643 14.681 -4.356
15 H TRP 3 H TRP 3 -4.334 12.578 0.388
16 HA TRP 3 HA TRP 3 -2.097 10.577 0.160
17 1HB TRP 3 1HB TRP 3 -1.950 11.614 2.506
18 2HB TRP 3 2HB TRP 3 -3.510 10.899 2.875
19 HD1 TRP 3 HD1 TRP 3 0.212 10.033 2.223
20 HE1 TRP 3 HE1 TRP 3 0.809 7.540 2.863
21 HE3 TRP 3 HE3 TRP 3 -4.562 8.549 3.304
22 HZ2 TRP 3 HZ2 TRP 3 -0.768 5.303 3.674
23 HZ3 TRP 3 HZ3 TRP 3 -4.955 6.211 3.981
24 HH2 TRP 3 HH2 TRP 3 -3.093 4.611 4.165
25 H GLY 4 H GLY 4 -3.080 9.211 -1.154
26 1HA GLY 4 1HA GLY 4 -5.310 7.473 -0.294
27 2HA GLY 4 2HA GLY 4 -5.932 8.690 -1.407
28 H GLU 5 H GLU 5 -3.423 6.196 -1.084
29 HA GLU 5 HA GLU 5 -3.948 5.177 -3.842
30 1HB GLU 5 1HB GLU 5 -2.190 7.216 -3.952
31 2HB GLU 5 2HB GLU 5 -1.028 6.062 -3.362
32 1HG GLU 5 1HG GLU 5 -2.652 5.985 -5.985
33 2HG GLU 5 2HG GLU 5 -0.964 6.363 -5.828
34 H SER 6 H SER 6 -3.836 3.005 -3.621
35 HA SER 6 HA SER 6 -1.633 1.712 -2.062
36 1HB SER 6 1HB SER 6 -3.103 0.303 -0.618
37 2HB SER 6 2HB SER 6 -3.328 2.007 -0.265
38 HG SER 6 HG SER 6 -5.175 1.946 -1.667
39 H GLY 7 H GLY 7 -1.913 -0.902 -2.288
40 1HA GLY 7 1HA GLY 7 -3.333 -2.029 -4.454
41 2HA GLY 7 2HA GLY 7 -1.890 -1.394 -5.232
42 H LYS 8 H LYS 8 0.052 -2.480 -4.923
43 HA LYS 8 HA LYS 8 -0.138 -5.259 -3.711
44 1HB LYS 8 1HB LYS 8 1.993 -4.091 -5.577
45 2HB LYS 8 2HB LYS 8 2.015 -5.717 -4.933
46 1HG LYS 8 1HG LYS 8 -0.176 -4.599 -6.792
47 2HG LYS 8 2HG LYS 8 1.205 -5.560 -7.292
48 1HD LYS 8 1HD LYS 8 0.398 -7.490 -5.850
49 2HD LYS 8 2HD LYS 8 -1.024 -6.541 -5.398
50 1HE LYS 8 1HE LYS 8 -1.719 -6.405 -7.840
51 2HE LYS 8 2HE LYS 8 -0.302 -7.360 -8.297
52 1HZ LYS 8 1HZ LYS 8 -2.451 -8.275 -6.458
53 2HZ LYS 8 2HZ LYS 8 -1.141 -9.157 -6.877
54 H LEU 9 H LEU 9 2.559 -2.856 -3.718
55 HA LEU 9 HA LEU 9 2.821 -3.176 -0.733
56 1HB LEU 9 1HB LEU 9 4.116 -5.119 -1.695
57 2HB LEU 9 2HB LEU 9 5.123 -4.006 -2.593
58 HG LEU 9 HG LEU 9 5.944 -3.017 -0.381
59 1HD1 LEU 9 1HD1 LEU 9 5.590 -4.346 1.733
60 2HD1 LEU 9 2HD1 LEU 9 4.069 -3.656 1.151
61 3HD1 LEU 9 3HD1 LEU 9 4.410 -5.385 0.896
62 1HD2 LEU 9 1HD2 LEU 9 6.414 -6.045 -0.768
63 2HD2 LEU 9 2HD2 LEU 9 7.270 -4.735 -1.619
64 3HD2 LEU 9 3HD2 LEU 9 7.468 -4.927 0.132
65 H ILE 10 H ILE 10 4.675 -1.834 -3.454
66 HA ILE 10 HA ILE 10 5.056 0.704 -1.785
67 HB ILE 10 HB ILE 10 7.188 -0.351 -2.375
68 1HG1 ILE 10 1HG1 ILE 10 8.380 1.808 -2.989
69 2HG1 ILE 10 2HG1 ILE 10 6.828 2.566 -3.288
70 1HG2 ILE 10 1HG2 ILE 10 6.867 -0.950 -4.842
71 2HG2 ILE 10 2HG2 ILE 10 6.962 0.786 -5.238
72 3HG2 ILE 10 3HG2 ILE 10 8.339 -0.026 -4.504
73 1HD1 ILE 10 1HD1 ILE 10 6.244 2.333 -0.841
74 2HD1 ILE 10 2HD1 ILE 10 7.745 1.405 -0.562
75 3HD1 ILE 10 3HD1 ILE 10 7.822 3.117 -1.038
76 1HN DAB 11 1HN DAB 11 2.880 1.253 -2.208
77 HA DAB 11 HA DAB 11 2.725 3.159 -4.567
78 1HB DAB 11 1HB DAB 11 1.454 0.847 -4.989
79 2HB DAB 11 2HB DAB 11 0.253 1.454 -3.879
80 1HG DAB 11 1HG DAB 11 1.142 2.636 -6.579
81 2HG DAB 11 2HG DAB 11 -0.390 1.871 -6.213
82 2HD DAB 11 2HD DAB 11 0.467 4.634 -5.127
83 H THR 12 H THR 12 2.986 4.876 -3.211
84 HA THR 12 HA THR 12 0.638 5.588 -1.445
85 HB THR 12 HB THR 12 2.139 4.436 0.098
86 HG1 THR 12 HG1 THR 12 2.283 6.151 1.580
87 1HG2 THR 12 1HG2 THR 12 4.300 5.356 0.881
88 2HG2 THR 12 2HG2 THR 12 4.435 4.921 -0.837
89 3HG2 THR 12 3HG2 THR 12 4.265 6.629 -0.361
90 H THR 13 H THR 13 0.100 7.639 -1.524
91 HA THR 13 HA THR 13 1.794 9.598 -3.178
92 HB THR 13 HB THR 13 -1.227 9.563 -2.599
93 HG1 THR 13 HG1 THR 13 -0.237 8.127 -4.160
94 1HG2 THR 13 1HG2 THR 13 -0.506 11.959 -2.783
95 2HG2 THR 13 2HG2 THR 13 0.378 11.598 -4.289
96 3HG2 THR 13 3HG2 THR 13 -1.397 11.455 -4.232
97 H ALA 14 H ALA 14 3.029 10.791 -1.880
98 HA ALA 14 HA ALA 14 2.349 11.360 0.989
99 1HB ALA 14 1HB ALA 14 4.606 12.418 1.067
100 2HB ALA 14 2HB ALA 14 4.691 10.806 0.335
101 3HB ALA 14 3HB ALA 14 4.781 12.256 -0.697
102 HXT ALA 14 HXT ALA 14 1.103 14.510 0.896
Start of MODEL 9
1 1H ACE 1 1H ACE 1 -2.802 18.020 1.465
2 2H ACE 1 2H ACE 1 -1.980 16.744 2.395
3 3H ACE 1 3H ACE 1 -1.095 17.642 1.126
4 H ILE 2 H ILE 2 -0.886 15.113 0.829
5 HA ILE 2 HA ILE 2 -3.051 13.883 -0.813
6 HB ILE 2 HB ILE 2 -1.796 15.441 -2.409
7 1HG1 ILE 2 1HG1 ILE 2 -1.679 13.624 -4.294
8 2HG1 ILE 2 2HG1 ILE 2 -2.218 12.484 -3.075
9 1HG2 ILE 2 1HG2 ILE 2 0.270 14.833 -3.492
10 2HG2 ILE 2 2HG2 ILE 2 0.588 14.965 -1.753
11 3HG2 ILE 2 3HG2 ILE 2 0.454 13.362 -2.521
12 1HD1 ILE 2 1HD1 ILE 2 -4.125 13.436 -4.420
13 2HD1 ILE 2 2HD1 ILE 2 -4.313 13.935 -2.721
14 3HD1 ILE 2 3HD1 ILE 2 -3.688 15.087 -3.926
15 H TRP 3 H TRP 3 -3.189 12.125 0.483
16 HA TRP 3 HA TRP 3 -0.900 10.164 0.435
17 1HB TRP 3 1HB TRP 3 -0.564 11.626 2.503
18 2HB TRP 3 2HB TRP 3 -2.076 11.012 3.147
19 HD1 TRP 3 HD1 TRP 3 -2.003 8.515 4.246
20 HE1 TRP 3 HE1 TRP 3 -0.089 6.804 4.880
21 HE3 TRP 3 HE3 TRP 3 1.706 10.793 1.590
22 HZ2 TRP 3 HZ2 TRP 3 2.685 6.647 4.216
23 HZ3 TRP 3 HZ3 TRP 3 3.976 9.804 1.604
24 HH2 TRP 3 HH2 TRP 3 4.458 7.763 2.898
25 H GLY 4 H GLY 4 -1.997 8.608 -0.538
26 1HA GLY 4 1HA GLY 4 -3.830 6.812 0.588
27 2HA GLY 4 2HA GLY 4 -4.930 8.028 -0.044
28 H GLU 5 H GLU 5 -2.213 5.959 -1.090
29 HA GLU 5 HA GLU 5 -3.799 5.023 -3.454
30 1HB GLU 5 1HB GLU 5 -2.475 7.235 -4.150
31 2HB GLU 5 2HB GLU 5 -1.065 6.213 -4.179
32 1HG GLU 5 1HG GLU 5 -3.629 5.994 -5.871
33 2HG GLU 5 2HG GLU 5 -2.051 6.474 -6.439
34 H SER 6 H SER 6 -3.597 2.926 -2.978
35 HA SER 6 HA SER 6 -0.849 1.696 -2.544
36 1HB SER 6 1HB SER 6 -1.543 0.303 -0.627
37 2HB SER 6 2HB SER 6 -1.713 1.998 -0.235
38 HG SER 6 HG SER 6 -3.805 0.277 -1.123
39 H GLY 7 H GLY 7 -1.284 -0.943 -2.407
40 1HA GLY 7 1HA GLY 7 -3.295 -2.110 -4.077
41 2HA GLY 7 2HA GLY 7 -2.003 -1.659 -5.194
42 H LYS 8 H LYS 8 -0.049 -2.789 -5.089
43 HA LYS 8 HA LYS 8 -0.107 -5.481 -3.715
44 1HB LYS 8 1HB LYS 8 1.920 -4.326 -5.712
45 2HB LYS 8 2HB LYS 8 2.043 -5.916 -4.978
46 1HG LYS 8 1HG LYS 8 -0.179 -6.580 -5.960
47 2HG LYS 8 2HG LYS 8 -0.319 -5.021 -6.755
48 1HD LYS 8 1HD LYS 8 1.957 -7.055 -7.252
49 2HD LYS 8 2HD LYS 8 0.490 -6.932 -8.214
50 1HE LYS 8 1HE LYS 8 1.091 -4.549 -8.872
51 2HE LYS 8 2HE LYS 8 2.591 -4.674 -7.941
52 1HZ LYS 8 1HZ LYS 8 2.985 -5.175 -10.238
53 2HZ LYS 8 2HZ LYS 8 3.264 -6.520 -9.350
54 H LEU 9 H LEU 9 2.441 -2.939 -3.906
55 HA LEU 9 HA LEU 9 3.076 -3.433 -0.947
56 1HB LEU 9 1HB LEU 9 4.784 -4.550 -2.404
57 2HB LEU 9 2HB LEU 9 5.117 -3.029 -3.206
58 HG LEU 9 HG LEU 9 5.909 -2.062 -0.974
59 1HD1 LEU 9 1HD1 LEU 9 4.744 -3.577 0.645
60 2HD1 LEU 9 2HD1 LEU 9 5.659 -4.979 0.037
61 3HD1 LEU 9 3HD1 LEU 9 6.496 -3.656 0.888
62 1HD2 LEU 9 1HD2 LEU 9 8.108 -3.240 -1.021
63 2HD2 LEU 9 2HD2 LEU 9 7.405 -4.574 -1.968
64 3HD2 LEU 9 3HD2 LEU 9 7.522 -2.939 -2.666
65 H ILE 10 H ILE 10 4.504 -0.974 -3.135
66 HA ILE 10 HA ILE 10 2.765 1.162 -1.813
67 HB ILE 10 HB ILE 10 4.582 2.687 -1.714
68 1HG1 ILE 10 1HG1 ILE 10 7.076 1.406 -1.818
69 2HG1 ILE 10 2HG1 ILE 10 6.276 0.683 -3.191
70 1HG2 ILE 10 1HG2 ILE 10 4.096 1.251 0.268
71 2HG2 ILE 10 2HG2 ILE 10 5.421 0.168 -0.202
72 3HG2 ILE 10 3HG2 ILE 10 5.766 1.858 0.233
73 1HD1 ILE 10 1HD1 ILE 10 5.795 3.066 -4.088
74 2HD1 ILE 10 2HD1 ILE 10 6.654 3.720 -2.677
75 3HD1 ILE 10 3HD1 ILE 10 7.525 2.728 -3.871
76 1HN DAB 11 1HN DAB 11 1.382 1.681 -3.373
77 HA DAB 11 HA DAB 11 2.041 1.589 -6.250
78 1HB DAB 11 1HB DAB 11 -0.121 0.956 -5.603
79 2HB DAB 11 2HB DAB 11 -0.450 2.417 -4.719
80 1HG DAB 11 1HG DAB 11 -0.011 2.554 -7.765
81 2HG DAB 11 2HG DAB 11 -1.531 1.971 -7.123
82 2HD DAB 11 2HD DAB 11 -0.440 4.809 -6.758
83 H THR 12 H THR 12 1.325 4.505 -4.203
84 HA THR 12 HA THR 12 3.163 6.086 -5.957
85 HB THR 12 HB THR 12 0.257 7.039 -5.835
86 HG1 THR 12 HG1 THR 12 0.558 6.791 -8.138
87 1HG2 THR 12 1HG2 THR 12 1.850 8.987 -5.888
88 2HG2 THR 12 2HG2 THR 12 2.689 8.272 -7.288
89 3HG2 THR 12 3HG2 THR 12 0.998 8.811 -7.435
90 H THR 13 H THR 13 0.602 6.983 -3.590
91 HA THR 13 HA THR 13 2.809 8.009 -1.717
92 HB THR 13 HB THR 13 1.988 9.889 -2.954
93 HG1 THR 13 HG1 THR 13 2.536 10.116 -0.813
94 1HG2 THR 13 1HG2 THR 13 -0.861 9.421 -1.869
95 2HG2 THR 13 2HG2 THR 13 -0.277 10.869 -2.712
96 3HG2 THR 13 3HG2 THR 13 -0.367 9.317 -3.574
97 H ALA 14 H ALA 14 2.557 5.886 -0.839
98 HA ALA 14 HA ALA 14 0.845 5.955 1.608
99 1HB ALA 14 1HB ALA 14 -0.813 4.935 0.014
100 2HB ALA 14 2HB ALA 14 0.341 3.636 -0.378
101 3HB ALA 14 3HB ALA 14 -0.327 3.780 1.267
102 HXT ALA 14 HXT ALA 14 3.715 3.165 0.870
Start of MODEL 10
1 1H ACE 1 1H ACE 1 -5.364 -4.384 1.527
2 2H ACE 1 2H ACE 1 -4.703 -4.805 -0.074
3 3H ACE 1 3H ACE 1 -3.598 -4.520 1.291
4 H ILE 2 H ILE 2 -3.345 -2.389 2.038
5 HA ILE 2 HA ILE 2 -3.671 -0.266 -0.030
6 HB ILE 2 HB ILE 2 -5.846 -0.221 1.300
7 1HG1 ILE 2 1HG1 ILE 2 -5.780 2.402 1.565
8 2HG1 ILE 2 2HG1 ILE 2 -4.143 2.296 0.941
9 1HG2 ILE 2 1HG2 ILE 2 -4.339 1.160 3.583
10 2HG2 ILE 2 2HG2 ILE 2 -6.082 0.873 3.435
11 3HG2 ILE 2 3HG2 ILE 2 -4.981 -0.502 3.646
12 1HD1 ILE 2 1HD1 ILE 2 -5.779 2.727 -0.900
13 2HD1 ILE 2 2HD1 ILE 2 -5.102 1.096 -1.139
14 3HD1 ILE 2 3HD1 ILE 2 -6.729 1.287 -0.451
15 H TRP 3 H TRP 3 -1.503 0.001 -0.238
16 HA TRP 3 HA TRP 3 0.062 0.983 2.234
17 1HB TRP 3 1HB TRP 3 1.298 -0.501 -0.132
18 2HB TRP 3 2HB TRP 3 2.125 0.110 1.270
19 HD1 TRP 3 HD1 TRP 3 2.170 -1.469 3.469
20 HE1 TRP 3 HE1 TRP 3 1.579 -4.021 3.901
21 HE3 TRP 3 HE3 TRP 3 -0.649 -2.073 -0.681
22 HZ2 TRP 3 HZ2 TRP 3 0.088 -5.957 2.391
23 HZ3 TRP 3 HZ3 TRP 3 -1.585 -4.331 -1.217
24 HH2 TRP 3 HH2 TRP 3 -1.220 -6.232 0.306
25 H GLY 4 H GLY 4 -0.596 3.018 1.790
26 1HA GLY 4 1HA GLY 4 0.355 5.252 1.126
27 2HA GLY 4 2HA GLY 4 1.132 4.543 -0.249
28 H GLU 5 H GLU 5 -0.703 3.510 -1.819
29 HA GLU 5 HA GLU 5 -3.030 5.405 -2.067
30 1HB GLU 5 1HB GLU 5 -2.388 6.704 -3.683
31 2HB GLU 5 2HB GLU 5 -0.768 6.160 -3.450
32 1HG GLU 5 1HG GLU 5 -2.746 5.229 -5.613
33 2HG GLU 5 2HG GLU 5 -1.430 6.328 -5.831
34 H SER 6 H SER 6 -1.910 2.291 -2.958
35 HA SER 6 HA SER 6 -4.715 1.419 -3.368
36 1HB SER 6 1HB SER 6 -4.716 0.678 -5.654
37 2HB SER 6 2HB SER 6 -4.201 2.355 -5.686
38 HG SER 6 HG SER 6 -2.099 1.699 -5.974
39 H GLY 7 H GLY 7 -4.241 -1.077 -4.611
40 1HA GLY 7 1HA GLY 7 -3.082 -2.614 -2.273
41 2HA GLY 7 2HA GLY 7 -3.947 -3.292 -3.634
42 H LYS 8 H LYS 8 -0.947 -1.552 -2.987
43 HA LYS 8 HA LYS 8 0.760 -3.660 -4.326
44 1HB LYS 8 1HB LYS 8 0.102 -2.014 -6.154
45 2HB LYS 8 2HB LYS 8 0.801 -0.693 -5.232
46 1HG LYS 8 1HG LYS 8 3.073 -1.855 -5.362
47 2HG LYS 8 2HG LYS 8 2.360 -3.139 -6.326
48 1HD LYS 8 1HD LYS 8 2.447 -0.151 -7.124
49 2HD LYS 8 2HD LYS 8 3.628 -1.357 -7.613
50 1HE LYS 8 1HE LYS 8 1.814 -2.670 -8.824
51 2HE LYS 8 2HE LYS 8 0.626 -1.438 -8.369
52 1HZ LYS 8 1HZ LYS 8 1.477 -1.016 -10.556
53 2HZ LYS 8 2HZ LYS 8 1.932 0.206 -9.568
54 H LEU 9 H LEU 9 2.394 -3.967 -2.944
55 HA LEU 9 HA LEU 9 2.733 -2.595 -0.497
56 1HB LEU 9 1HB LEU 9 4.684 -3.925 -0.018
57 2HB LEU 9 2HB LEU 9 3.351 -4.817 -0.679
58 HG LEU 9 HG LEU 9 4.630 -4.735 -2.996
59 1HD1 LEU 9 1HD1 LEU 9 6.994 -4.092 -1.100
60 2HD1 LEU 9 2HD1 LEU 9 7.146 -4.641 -2.788
61 3HD1 LEU 9 3HD1 LEU 9 6.418 -3.072 -2.436
62 1HD2 LEU 9 1HD2 LEU 9 4.310 -6.808 -1.638
63 2HD2 LEU 9 2HD2 LEU 9 5.918 -6.788 -2.382
64 3HD2 LEU 9 3HD2 LEU 9 5.737 -6.412 -0.650
65 H ILE 10 H ILE 10 4.225 -1.445 -3.369
66 HA ILE 10 HA ILE 10 5.400 0.811 -1.717
67 HB ILE 10 HB ILE 10 7.276 -0.757 -2.070
68 1HG1 ILE 10 1HG1 ILE 10 8.978 0.967 -2.859
69 2HG1 ILE 10 2HG1 ILE 10 7.657 2.041 -3.286
70 1HG2 ILE 10 1HG2 ILE 10 6.869 -1.574 -4.443
71 2HG2 ILE 10 2HG2 ILE 10 7.405 0.014 -5.051
72 3HG2 ILE 10 3HG2 ILE 10 8.521 -1.010 -4.143
73 1HD1 ILE 10 1HD1 ILE 10 6.967 2.144 -0.851
74 2HD1 ILE 10 2HD1 ILE 10 8.208 0.928 -0.443
75 3HD1 ILE 10 3HD1 ILE 10 8.689 2.537 -1.035
76 1HN DAB 11 1HN DAB 11 3.533 2.000 -2.313
77 HA DAB 11 HA DAB 11 3.964 3.546 -4.837
78 1HB DAB 11 1HB DAB 11 2.514 1.621 -5.575
79 2HB DAB 11 2HB DAB 11 1.275 2.064 -4.424
80 1HG DAB 11 1HG DAB 11 2.305 3.958 -6.655
81 2HG DAB 11 2HG DAB 11 1.023 2.806 -6.920
82 2HD DAB 11 2HD DAB 11 0.824 5.323 -5.197
83 H THR 12 H THR 12 4.409 5.219 -3.441
84 HA THR 12 HA THR 12 2.104 6.219 -1.659
85 HB THR 12 HB THR 12 5.083 6.924 -1.376
86 HG1 THR 12 HG1 THR 12 4.445 4.761 -0.862
87 1HG2 THR 12 1HG2 THR 12 2.687 7.519 0.487
88 2HG2 THR 12 2HG2 THR 12 4.401 7.837 0.848
89 3HG2 THR 12 3HG2 THR 12 3.591 8.734 -0.454
90 H THR 13 H THR 13 0.908 7.385 -2.953
91 HA THR 13 HA THR 13 2.084 9.879 -4.264
92 HB THR 13 HB THR 13 0.143 7.990 -5.738
93 HG1 THR 13 HG1 THR 13 2.876 8.601 -6.159
94 1HG2 THR 13 1HG2 THR 13 -0.197 10.393 -6.415
95 2HG2 THR 13 2HG2 THR 13 1.550 10.564 -6.728
96 3HG2 THR 13 3HG2 THR 13 0.566 9.460 -7.720
97 H ALA 14 H ALA 14 1.129 11.398 -3.100
98 HA ALA 14 HA ALA 14 -1.618 11.077 -1.889
99 1HB ALA 14 1HB ALA 14 0.407 13.395 -1.664
100 2HB ALA 14 2HB ALA 14 -1.096 13.215 -0.731
101 3HB ALA 14 3HB ALA 14 0.218 12.042 -0.518
102 HXT ALA 14 HXT ALA 14 -2.754 10.965 -3.652
Start of MODEL 11
1 1H ACE 1 1H ACE 1 -5.210 -3.431 -3.248
2 2H ACE 1 2H ACE 1 -4.970 -3.147 -1.508
3 3H ACE 1 3H ACE 1 -6.592 -3.573 -2.133
4 H ILE 2 H ILE 2 -6.572 -1.459 -0.652
5 HA ILE 2 HA ILE 2 -6.156 1.065 -2.220
6 HB ILE 2 HB ILE 2 -8.395 0.147 -2.984
7 1HG1 ILE 2 1HG1 ILE 2 -9.593 2.456 -2.783
8 2HG1 ILE 2 2HG1 ILE 2 -8.183 3.001 -1.890
9 1HG2 ILE 2 1HG2 ILE 2 -9.620 1.105 -0.340
10 2HG2 ILE 2 2HG2 ILE 2 -10.449 0.434 -1.752
11 3HG2 ILE 2 3HG2 ILE 2 -9.384 -0.605 -0.787
12 1HD1 ILE 2 1HD1 ILE 2 -8.173 1.819 -4.767
13 2HD1 ILE 2 2HD1 ILE 2 -8.067 3.546 -4.355
14 3HD1 ILE 2 3HD1 ILE 2 -6.734 2.450 -3.928
15 H TRP 3 H TRP 3 -4.733 1.808 -0.739
16 HA TRP 3 HA TRP 3 -5.874 2.873 1.852
17 1HB TRP 3 1HB TRP 3 -4.958 0.594 2.419
18 2HB TRP 3 2HB TRP 3 -3.370 1.078 1.840
19 HD1 TRP 3 HD1 TRP 3 -1.866 2.595 3.497
20 HE1 TRP 3 HE1 TRP 3 -2.044 3.406 6.010
21 HE3 TRP 3 HE3 TRP 3 -6.761 1.310 4.169
22 HZ2 TRP 3 HZ2 TRP 3 -4.179 3.412 7.910
23 HZ3 TRP 3 HZ3 TRP 3 -7.822 1.747 6.359
24 HH2 TRP 3 HH2 TRP 3 -6.554 2.780 8.199
25 H GLY 4 H GLY 4 -5.560 4.908 1.259
26 1HA GLY 4 1HA GLY 4 -4.201 6.992 1.106
27 2HA GLY 4 2HA GLY 4 -2.745 6.060 0.878
28 H GLU 5 H GLU 5 -2.712 4.805 -1.208
29 HA GLU 5 HA GLU 5 -3.860 6.361 -3.566
30 1HB GLU 5 1HB GLU 5 -1.729 7.271 -3.354
31 2HB GLU 5 2HB GLU 5 -0.925 5.764 -3.037
32 1HG GLU 5 1HG GLU 5 -2.222 6.372 -5.771
33 2HG GLU 5 2HG GLU 5 -0.644 6.983 -5.349
34 H SER 6 H SER 6 -2.300 3.291 -2.774
35 HA SER 6 HA SER 6 -4.486 1.764 -4.013
36 1HB SER 6 1HB SER 6 -3.407 0.640 -5.883
37 2HB SER 6 2HB SER 6 -3.405 2.377 -6.158
38 HG SER 6 HG SER 6 -1.262 2.463 -5.571
39 H GLY 7 H GLY 7 -2.293 -0.514 -4.393
40 1HA GLY 7 1HA GLY 7 -1.231 -1.098 -1.740
41 2HA GLY 7 2HA GLY 7 -2.863 -1.752 -1.776
42 H LYS 8 H LYS 8 0.342 -2.063 -3.033
43 HA LYS 8 HA LYS 8 -0.190 -4.924 -3.809
44 1HB LYS 8 1HB LYS 8 0.890 -4.842 -6.003
45 2HB LYS 8 2HB LYS 8 -0.650 -4.020 -5.929
46 1HG LYS 8 1HG LYS 8 0.504 -1.780 -5.884
47 2HG LYS 8 2HG LYS 8 2.075 -2.556 -5.986
48 1HD LYS 8 1HD LYS 8 -0.137 -2.834 -8.117
49 2HD LYS 8 2HD LYS 8 1.150 -1.636 -8.158
50 1HE LYS 8 1HE LYS 8 2.902 -3.481 -8.220
51 2HE LYS 8 2HE LYS 8 1.616 -4.696 -8.228
52 1HZ LYS 8 1HZ LYS 8 2.341 -4.230 -10.450
53 2HZ LYS 8 2HZ LYS 8 0.788 -3.745 -10.293
54 H LEU 9 H LEU 9 2.547 -2.632 -4.130
55 HA LEU 9 HA LEU 9 4.229 -4.530 -2.382
56 1HB LEU 9 1HB LEU 9 5.411 -2.668 -4.509
57 2HB LEU 9 2HB LEU 9 6.255 -3.857 -3.541
58 HG LEU 9 HG LEU 9 4.172 -4.420 -5.714
59 1HD1 LEU 9 1HD1 LEU 9 6.285 -3.493 -6.655
60 2HD1 LEU 9 2HD1 LEU 9 7.242 -4.746 -5.826
61 3HD1 LEU 9 3HD1 LEU 9 6.099 -5.194 -7.118
62 1HD2 LEU 9 1HD2 LEU 9 4.198 -6.317 -4.054
63 2HD2 LEU 9 2HD2 LEU 9 4.907 -6.844 -5.587
64 3HD2 LEU 9 3HD2 LEU 9 5.965 -6.459 -4.207
65 H ILE 10 H ILE 10 4.510 -1.195 -3.492
66 HA ILE 10 HA ILE 10 4.015 -0.101 -0.740
67 HB ILE 10 HB ILE 10 6.423 -0.746 -0.649
68 1HG1 ILE 10 1HG1 ILE 10 7.301 1.490 0.271
69 2HG1 ILE 10 2HG1 ILE 10 5.796 2.232 -0.245
70 1HG2 ILE 10 1HG2 ILE 10 7.149 1.547 -2.562
71 2HG2 ILE 10 2HG2 ILE 10 8.241 0.459 -1.697
72 3HG2 ILE 10 3HG2 ILE 10 7.209 -0.183 -2.985
73 1HD1 ILE 10 1HD1 ILE 10 4.523 0.670 1.312
74 2HD1 ILE 10 2HD1 ILE 10 6.050 -0.154 1.727
75 3HD1 ILE 10 3HD1 ILE 10 5.799 1.548 2.187
76 1HN DAB 11 1HN DAB 11 2.184 0.949 -1.594
77 HA DAB 11 HA DAB 11 2.805 3.469 -3.134
78 1HB DAB 11 1HB DAB 11 2.153 1.469 -4.754
79 2HB DAB 11 2HB DAB 11 0.531 1.659 -4.148
80 1HG DAB 11 1HG DAB 11 2.266 3.723 -5.654
81 2HG DAB 11 2HG DAB 11 0.905 2.833 -6.303
82 2HD DAB 11 2HD DAB 11 0.627 4.999 -4.118
83 H THR 12 H THR 12 2.431 4.362 -1.090
84 HA THR 12 HA THR 12 -0.536 4.725 -0.419
85 HB THR 12 HB THR 12 1.734 4.263 1.619
86 HG1 THR 12 HG1 THR 12 0.394 2.486 2.133
87 1HG2 THR 12 1HG2 THR 12 -0.019 4.321 3.388
88 2HG2 THR 12 2HG2 THR 12 0.060 5.897 2.579
89 3HG2 THR 12 3HG2 THR 12 -1.262 4.766 2.199
90 H THR 13 H THR 13 -0.869 6.690 -1.111
91 HA THR 13 HA THR 13 0.721 9.029 0.020
92 HB THR 13 HB THR 13 0.134 8.759 -2.998
93 HG1 THR 13 HG1 THR 13 2.423 8.840 -3.076
94 1HG2 THR 13 1HG2 THR 13 1.615 11.002 -1.461
95 2HG2 THR 13 2HG2 THR 13 1.469 10.866 -3.231
96 3HG2 THR 13 3HG2 THR 13 0.023 11.168 -2.245
97 H ALA 14 H ALA 14 -0.947 9.567 1.319
98 HA ALA 14 HA ALA 14 -3.803 9.703 0.342
99 1HB ALA 14 1HB ALA 14 -2.613 10.352 3.119
100 2HB ALA 14 2HB ALA 14 -4.341 10.247 2.710
101 3HB ALA 14 3HB ALA 14 -3.324 8.797 2.616
102 HXT ALA 14 HXT ALA 14 -3.964 12.983 -0.510
Start of MODEL 12
1 1H ACE 1 1H ACE 1 4.408 13.963 2.246
2 2H ACE 1 2H ACE 1 4.064 13.398 0.594
3 3H ACE 1 3H ACE 1 3.808 15.115 1.029
4 H ILE 2 H ILE 2 1.741 14.166 -0.066
5 HA ILE 2 HA ILE 2 -0.174 12.806 1.796
6 HB ILE 2 HB ILE 2 -0.275 15.031 2.689
7 1HG1 ILE 2 1HG1 ILE 2 -2.247 13.525 2.813
8 2HG1 ILE 2 2HG1 ILE 2 -2.542 15.225 3.079
9 1HG2 ILE 2 1HG2 ILE 2 0.186 16.571 0.816
10 2HG2 ILE 2 2HG2 ILE 2 -1.391 16.202 0.077
11 3HG2 ILE 2 3HG2 ILE 2 -1.312 17.010 1.651
12 1HD1 ILE 2 1HD1 ILE 2 -4.392 14.249 1.769
13 2HD1 ILE 2 2HD1 ILE 2 -3.561 15.463 0.778
14 3HD1 ILE 2 3HD1 ILE 2 -3.285 13.728 0.479
15 H TRP 3 H TRP 3 -0.449 11.191 0.332
16 HA TRP 3 HA TRP 3 -2.117 11.807 -2.077
17 1HB TRP 3 1HB TRP 3 0.501 11.978 -2.657
18 2HB TRP 3 2HB TRP 3 0.483 10.240 -2.619
19 HD1 TRP 3 HD1 TRP 3 -1.030 13.328 -4.491
20 HE1 TRP 3 HE1 TRP 3 -1.427 12.777 -7.039
21 HE3 TRP 3 HE3 TRP 3 0.017 8.362 -4.163
22 HZ2 TRP 3 HZ2 TRP 3 -1.138 10.397 -8.584
23 HZ3 TRP 3 HZ3 TRP 3 0.113 7.020 -6.247
24 HH2 TRP 3 HH2 TRP 3 -0.469 8.019 -8.417
25 H GLY 4 H GLY 4 -3.686 10.339 -1.881
26 1HA GLY 4 1HA GLY 4 -3.329 7.784 -0.227
27 2HA GLY 4 2HA GLY 4 -4.844 8.459 -0.739
28 H GLU 5 H GLU 5 -2.295 6.320 -1.580
29 HA GLU 5 HA GLU 5 -4.034 4.968 -3.630
30 1HB GLU 5 1HB GLU 5 -2.621 6.832 -4.829
31 2HB GLU 5 2HB GLU 5 -1.217 5.840 -4.534
32 1HG GLU 5 1HG GLU 5 -3.708 5.121 -6.222
33 2HG GLU 5 2HG GLU 5 -2.166 5.638 -6.847
34 H SER 6 H SER 6 -3.921 2.886 -3.017
35 HA SER 6 HA SER 6 -1.266 1.672 -2.173
36 1HB SER 6 1HB SER 6 -2.239 0.408 -0.275
37 2HB SER 6 2HB SER 6 -2.354 2.135 -0.013
38 HG SER 6 HG SER 6 -4.537 2.005 -0.793
39 H GLY 7 H GLY 7 -1.436 -0.923 -2.219
40 1HA GLY 7 1HA GLY 7 -3.424 -2.271 -3.687
41 2HA GLY 7 2HA GLY 7 -2.391 -1.629 -4.957
42 H LYS 8 H LYS 8 -0.290 -2.459 -5.173
43 HA LYS 8 HA LYS 8 0.059 -5.259 -4.296
44 1HB LYS 8 1HB LYS 8 2.085 -5.351 -5.652
45 2HB LYS 8 2HB LYS 8 0.655 -4.831 -6.511
46 1HG LYS 8 1HG LYS 8 1.472 -2.434 -6.476
47 2HG LYS 8 2HG LYS 8 2.918 -2.936 -5.607
48 1HD LYS 8 1HD LYS 8 3.555 -4.458 -7.523
49 2HD LYS 8 2HD LYS 8 2.117 -3.935 -8.409
50 1HE LYS 8 1HE LYS 8 2.972 -1.534 -8.373
51 2HE LYS 8 2HE LYS 8 4.407 -2.060 -7.481
52 1HZ LYS 8 1HZ LYS 8 3.624 -2.989 -10.194
53 2HZ LYS 8 2HZ LYS 8 4.803 -1.906 -9.860
54 H LEU 9 H LEU 9 2.385 -2.567 -3.763
55 HA LEU 9 HA LEU 9 2.680 -3.344 -0.931
56 1HB LEU 9 1HB LEU 9 4.833 -4.038 -0.662
57 2HB LEU 9 2HB LEU 9 4.139 -5.060 -1.885
58 HG LEU 9 HG LEU 9 6.297 -2.897 -2.265
59 1HD1 LEU 9 1HD1 LEU 9 7.766 -4.816 -2.812
60 2HD1 LEU 9 2HD1 LEU 9 7.069 -4.997 -1.192
61 3HD1 LEU 9 3HD1 LEU 9 6.427 -5.960 -2.546
62 1HD2 LEU 9 1HD2 LEU 9 5.030 -4.693 -4.462
63 2HD2 LEU 9 2HD2 LEU 9 4.932 -2.919 -4.380
64 3HD2 LEU 9 3HD2 LEU 9 6.492 -3.696 -4.669
65 H ILE 10 H ILE 10 4.412 -1.350 -3.399
66 HA ILE 10 HA ILE 10 3.875 1.072 -1.578
67 HB ILE 10 HB ILE 10 6.556 0.368 -2.869
68 1HG1 ILE 10 1HG1 ILE 10 6.272 -0.668 -0.656
69 2HG1 ILE 10 2HG1 ILE 10 7.531 0.538 -0.641
70 1HG2 ILE 10 1HG2 ILE 10 6.298 2.767 -3.333
71 2HG2 ILE 10 2HG2 ILE 10 5.825 3.103 -1.654
72 3HG2 ILE 10 3HG2 ILE 10 7.476 2.559 -2.037
73 1HD1 ILE 10 1HD1 ILE 10 5.966 2.177 0.538
74 2HD1 ILE 10 2HD1 ILE 10 4.689 0.940 0.534
75 3HD1 ILE 10 3HD1 ILE 10 6.185 0.666 1.448
76 1HN DAB 11 1HN DAB 11 2.029 1.390 -2.874
77 HA DAB 11 HA DAB 11 2.471 2.214 -5.741
78 1HB DAB 11 1HB DAB 11 0.616 0.681 -4.910
79 2HB DAB 11 2HB DAB 11 -0.137 2.045 -4.121
80 1HG DAB 11 1HG DAB 11 0.438 1.926 -7.160
81 2HG DAB 11 2HG DAB 11 -1.007 1.242 -6.448
82 2HD DAB 11 2HD DAB 11 -0.320 4.232 -6.474
83 H THR 12 H THR 12 2.323 4.028 -2.701
84 HA THR 12 HA THR 12 1.089 6.421 -3.907
85 HB THR 12 HB THR 12 0.639 5.966 -1.600
86 HG1 THR 12 HG1 THR 12 0.901 8.018 -0.937
87 1HG2 THR 12 1HG2 THR 12 2.814 5.010 -0.727
88 2HG2 THR 12 2HG2 THR 12 3.578 6.611 -0.895
89 3HG2 THR 12 3HG2 THR 12 2.239 6.377 0.253
90 H THR 13 H THR 13 1.978 8.066 -4.824
91 HA THR 13 HA THR 13 4.946 8.715 -4.634
92 HB THR 13 HB THR 13 3.489 8.363 -7.335
93 HG1 THR 13 HG1 THR 13 5.537 6.891 -6.046
94 1HG2 THR 13 1HG2 THR 13 5.749 8.738 -8.354
95 2HG2 THR 13 2HG2 THR 13 5.234 10.181 -7.455
96 3HG2 THR 13 3HG2 THR 13 6.447 9.078 -6.751
97 H ALA 14 H ALA 14 4.519 10.540 -3.516
98 HA ALA 14 HA ALA 14 2.320 12.452 -4.267
99 1HB ALA 14 1HB ALA 14 4.449 12.677 -2.041
100 2HB ALA 14 2HB ALA 14 3.019 13.716 -2.248
101 3HB ALA 14 3HB ALA 14 2.813 11.999 -1.859
102 HXT ALA 14 HXT ALA 14 5.979 14.077 -5.032
Start of MODEL 13
1 1H ACE 1 1H ACE 1 4.460 14.145 1.319
2 2H ACE 1 2H ACE 1 4.216 13.293 -0.226
3 3H ACE 1 3H ACE 1 3.945 15.059 -0.121
4 H ILE 2 H ILE 2 1.957 13.852 -1.158
5 HA ILE 2 HA ILE 2 -0.076 12.902 0.819
6 HB ILE 2 HB ILE 2 -0.120 15.454 0.964
7 1HG1 ILE 2 1HG1 ILE 2 -2.733 15.553 0.878
8 2HG1 ILE 2 2HG1 ILE 2 -2.675 13.862 0.411
9 1HG2 ILE 2 1HG2 ILE 2 0.022 16.071 -1.476
10 2HG2 ILE 2 2HG2 ILE 2 -1.651 15.495 -1.693
11 3HG2 ILE 2 3HG2 ILE 2 -1.311 16.849 -0.602
12 1HD1 ILE 2 1HD1 ILE 2 -1.454 15.094 2.992
13 2HD1 ILE 2 2HD1 ILE 2 -2.975 14.179 2.897
14 3HD1 ILE 2 3HD1 ILE 2 -1.423 13.357 2.601
15 H TRP 3 H TRP 3 -0.342 10.997 -0.232
16 HA TRP 3 HA TRP 3 -1.782 11.041 -2.870
17 1HB TRP 3 1HB TRP 3 0.719 11.052 -3.412
18 2HB TRP 3 2HB TRP 3 0.871 9.488 -2.650
19 HD1 TRP 3 HD1 TRP 3 0.096 7.346 -4.129
20 HE1 TRP 3 HE1 TRP 3 -0.475 6.978 -6.682
21 HE3 TRP 3 HE3 TRP 3 -0.605 12.268 -5.273
22 HZ2 TRP 3 HZ2 TRP 3 -1.101 8.765 -8.816
23 HZ3 TRP 3 HZ3 TRP 3 -1.138 12.887 -7.606
24 HH2 TRP 3 HH2 TRP 3 -1.382 11.165 -9.350
25 H GLY 4 H GLY 4 -3.478 9.880 -2.276
26 1HA GLY 4 1HA GLY 4 -3.316 7.523 -0.305
27 2HA GLY 4 2HA GLY 4 -4.784 8.284 -0.862
28 H GLU 5 H GLU 5 -2.287 6.003 -1.686
29 HA GLU 5 HA GLU 5 -4.151 4.585 -3.634
30 1HB GLU 5 1HB GLU 5 -2.668 6.272 -4.875
31 2HB GLU 5 2HB GLU 5 -1.257 5.358 -4.401
32 1HG GLU 5 1HG GLU 5 -3.601 4.290 -6.117
33 2HG GLU 5 2HG GLU 5 -2.173 5.039 -6.773
34 H SER 6 H SER 6 -4.271 2.618 -2.738
35 HA SER 6 HA SER 6 -1.767 1.320 -1.438
36 1HB SER 6 1HB SER 6 -3.162 0.060 0.109
37 2HB SER 6 2HB SER 6 -3.193 1.785 0.381
38 HG SER 6 HG SER 6 -5.257 0.811 0.455
39 H GLY 7 H GLY 7 -1.356 0.530 -3.845
40 1HA GLY 7 1HA GLY 7 -3.211 -1.491 -4.930
41 2HA GLY 7 2HA GLY 7 -1.655 -1.026 -5.569
42 H LYS 8 H LYS 8 0.188 -2.181 -4.937
43 HA LYS 8 HA LYS 8 -0.328 -4.910 -3.650
44 1HB LYS 8 1HB LYS 8 1.955 -4.016 -5.496
45 2HB LYS 8 2HB LYS 8 1.882 -5.567 -4.675
46 1HG LYS 8 1HG LYS 8 -0.283 -6.134 -5.854
47 2HG LYS 8 2HG LYS 8 -0.250 -4.575 -6.660
48 1HD LYS 8 1HD LYS 8 0.546 -6.138 -8.257
49 2HD LYS 8 2HD LYS 8 1.946 -5.187 -7.779
50 1HE LYS 8 1HE LYS 8 2.704 -7.095 -6.253
51 2HE LYS 8 2HE LYS 8 1.268 -8.023 -6.707
52 1HZ LYS 8 1HZ LYS 8 3.359 -7.085 -8.600
53 2HZ LYS 8 2HZ LYS 8 2.036 -7.950 -9.018
54 H LEU 9 H LEU 9 2.567 -2.765 -3.665
55 HA LEU 9 HA LEU 9 2.622 -2.838 -0.639
56 1HB LEU 9 1HB LEU 9 3.884 -4.890 -1.387
57 2HB LEU 9 2HB LEU 9 4.973 -3.886 -2.319
58 HG LEU 9 HG LEU 9 5.719 -2.747 -0.147
59 1HD1 LEU 9 1HD1 LEU 9 3.757 -3.226 1.335
60 2HD1 LEU 9 2HD1 LEU 9 4.064 -4.978 1.224
61 3HD1 LEU 9 3HD1 LEU 9 5.232 -3.906 2.038
62 1HD2 LEU 9 1HD2 LEU 9 7.053 -4.583 -1.193
63 2HD2 LEU 9 2HD2 LEU 9 7.165 -4.650 0.575
64 3HD2 LEU 9 3HD2 LEU 9 6.123 -5.807 -0.291
65 H ILE 10 H ILE 10 4.758 -1.790 -3.328
66 HA ILE 10 HA ILE 10 4.912 0.985 -1.991
67 HB ILE 10 HB ILE 10 7.070 -0.439 -3.608
68 1HG1 ILE 10 1HG1 ILE 10 7.074 -0.842 -1.165
69 2HG1 ILE 10 2HG1 ILE 10 8.499 0.011 -1.704
70 1HG2 ILE 10 1HG2 ILE 10 7.065 2.584 -3.100
71 2HG2 ILE 10 2HG2 ILE 10 8.480 1.614 -3.572
72 3HG2 ILE 10 3HG2 ILE 10 7.105 1.746 -4.667
73 1HD1 ILE 10 1HD1 ILE 10 7.499 2.213 -0.819
74 2HD1 ILE 10 2HD1 ILE 10 6.111 1.295 -0.195
75 3HD1 ILE 10 3HD1 ILE 10 7.738 0.982 0.439
76 1HN DAB 11 1HN DAB 11 2.964 1.588 -2.756
77 HA DAB 11 HA DAB 11 2.966 2.472 -5.695
78 1HB DAB 11 1HB DAB 11 1.469 0.440 -5.151
79 2HB DAB 11 2HB DAB 11 0.492 1.471 -4.128
80 1HG DAB 11 1HG DAB 11 1.010 1.974 -7.143
81 2HG DAB 11 2HG DAB 11 -0.301 0.983 -6.552
82 2HD DAB 11 2HD DAB 11 -0.058 4.016 -6.110
83 H THR 12 H THR 12 4.121 4.177 -4.130
84 HA THR 12 HA THR 12 2.006 6.353 -3.751
85 HB THR 12 HB THR 12 4.426 5.885 -1.897
86 HG1 THR 12 HG1 THR 12 2.750 5.373 -0.417
87 1HG2 THR 12 1HG2 THR 12 3.338 7.547 -0.388
88 2HG2 THR 12 2HG2 THR 12 3.675 8.320 -1.951
89 3HG2 THR 12 3HG2 THR 12 2.017 7.799 -1.552
90 H THR 13 H THR 13 2.330 7.788 -5.274
91 HA THR 13 HA THR 13 5.112 8.958 -5.773
92 HB THR 13 HB THR 13 3.244 8.034 -8.044
93 HG1 THR 13 HG1 THR 13 4.522 6.454 -6.881
94 1HG2 THR 13 1HG2 THR 13 5.133 8.662 -9.568
95 2HG2 THR 13 2HG2 THR 13 4.528 10.100 -8.719
96 3HG2 THR 13 3HG2 THR 13 6.052 9.333 -8.199
97 H ALA 14 H ALA 14 4.451 10.687 -4.533
98 HA ALA 14 HA ALA 14 1.952 12.220 -5.089
99 1HB ALA 14 1HB ALA 14 4.326 12.954 -3.256
100 2HB ALA 14 2HB ALA 14 2.733 13.748 -3.297
101 3HB ALA 14 3HB ALA 14 2.863 12.060 -2.775
102 HXT ALA 14 HXT ALA 14 5.304 13.058 -5.301
Start of MODEL 14
1 1H ACE 1 1H ACE 1 -2.427 17.104 1.251
2 2H ACE 1 2H ACE 1 -2.293 16.321 -0.343
3 3H ACE 1 3H ACE 1 -3.582 17.524 -0.038
4 H ILE 2 H ILE 2 -4.505 15.349 -1.012
5 HA ILE 2 HA ILE 2 -5.223 13.278 1.025
6 HB ILE 2 HB ILE 2 -6.750 15.001 1.692
7 1HG1 ILE 2 1HG1 ILE 2 -7.337 12.605 1.997
8 2HG1 ILE 2 2HG1 ILE 2 -8.644 13.755 2.108
9 1HG2 ILE 2 1HG2 ILE 2 -8.750 15.780 0.482
10 2HG2 ILE 2 2HG2 ILE 2 -7.269 16.314 -0.330
11 3HG2 ILE 2 3HG2 ILE 2 -8.224 14.969 -1.003
12 1HD1 ILE 2 1HD1 ILE 2 -9.414 11.726 0.935
13 2HD1 ILE 2 2HD1 ILE 2 -9.486 13.102 -0.182
14 3HD1 ILE 2 3HD1 ILE 2 -8.171 11.908 -0.324
15 H TRP 3 H TRP 3 -4.367 11.711 -0.254
16 HA TRP 3 HA TRP 3 -5.930 10.960 -2.720
17 1HB TRP 3 1HB TRP 3 -4.100 12.511 -3.538
18 2HB TRP 3 2HB TRP 3 -2.887 11.405 -2.917
19 HD1 TRP 3 HD1 TRP 3 -2.341 9.210 -4.418
20 HE1 TRP 3 HE1 TRP 3 -3.000 8.366 -6.832
21 HE3 TRP 3 HE3 TRP 3 -6.090 12.591 -5.209
22 HZ2 TRP 3 HZ2 TRP 3 -4.976 9.194 -8.717
23 HZ3 TRP 3 HZ3 TRP 3 -7.319 12.527 -7.352
24 HH2 TRP 3 HH2 TRP 3 -6.772 10.859 -9.080
25 H GLY 4 H GLY 4 -6.480 8.984 -2.111
26 1HA GLY 4 1HA GLY 4 -4.704 7.170 -0.405
27 2HA GLY 4 2HA GLY 4 -6.355 6.845 -0.862
28 H GLU 5 H GLU 5 -3.134 6.239 -1.600
29 HA GLU 5 HA GLU 5 -3.889 4.630 -4.109
30 1HB GLU 5 1HB GLU 5 -2.434 6.821 -4.499
31 2HB GLU 5 2HB GLU 5 -1.097 5.898 -3.865
32 1HG GLU 5 1HG GLU 5 -2.837 5.289 -6.335
33 2HG GLU 5 2HG GLU 5 -1.212 5.912 -6.353
34 H SER 6 H SER 6 -3.729 2.547 -3.537
35 HA SER 6 HA SER 6 -1.321 1.543 -2.003
36 1HB SER 6 1HB SER 6 -2.560 0.294 -0.302
37 2HB SER 6 2HB SER 6 -2.873 2.016 -0.155
38 HG SER 6 HG SER 6 -4.775 0.830 -0.012
39 H GLY 7 H GLY 7 -3.402 -1.005 -2.009
40 1HA GLY 7 1HA GLY 7 -3.831 -2.784 -3.605
41 2HA GLY 7 2HA GLY 7 -3.147 -1.826 -4.904
42 H LYS 8 H LYS 8 -0.774 -1.529 -4.762
43 HA LYS 8 HA LYS 8 0.629 -4.196 -4.362
44 1HB LYS 8 1HB LYS 8 0.744 -2.846 -6.551
45 2HB LYS 8 2HB LYS 8 1.618 -1.586 -5.695
46 1HG LYS 8 1HG LYS 8 3.476 -3.326 -5.203
47 2HG LYS 8 2HG LYS 8 2.536 -4.506 -6.101
48 1HD LYS 8 1HD LYS 8 4.194 -3.731 -7.608
49 2HD LYS 8 2HD LYS 8 2.700 -2.993 -8.170
50 1HE LYS 8 1HE LYS 8 3.375 -0.805 -7.011
51 2HE LYS 8 2HE LYS 8 4.854 -1.582 -6.430
52 1HZ LYS 8 1HZ LYS 8 5.211 -0.315 -8.449
53 2HZ LYS 8 2HZ LYS 8 4.109 -1.193 -9.280
54 H LEU 9 H LEU 9 2.570 -4.344 -3.161
55 HA LEU 9 HA LEU 9 2.647 -3.018 -0.618
56 1HB LEU 9 1HB LEU 9 4.658 -4.254 -0.095
57 2HB LEU 9 2HB LEU 9 3.434 -5.216 -0.855
58 HG LEU 9 HG LEU 9 4.837 -4.890 -3.106
59 1HD1 LEU 9 1HD1 LEU 9 6.491 -3.189 -2.276
60 2HD1 LEU 9 2HD1 LEU 9 7.039 -4.303 -1.007
61 3HD1 LEU 9 3HD1 LEU 9 7.316 -4.683 -2.726
62 1HD2 LEU 9 1HD2 LEU 9 5.866 -6.691 -0.818
63 2HD2 LEU 9 2HD2 LEU 9 4.531 -7.073 -1.933
64 3HD2 LEU 9 3HD2 LEU 9 6.183 -6.919 -2.557
65 H ILE 10 H ILE 10 3.996 -1.670 -3.432
66 HA ILE 10 HA ILE 10 5.140 0.596 -1.791
67 HB ILE 10 HB ILE 10 7.073 -0.833 -2.156
68 1HG1 ILE 10 1HG1 ILE 10 7.310 1.587 -1.756
69 2HG1 ILE 10 2HG1 ILE 10 8.673 0.812 -2.523
70 1HG2 ILE 10 1HG2 ILE 10 6.758 -1.861 -4.396
71 2HG2 ILE 10 2HG2 ILE 10 7.042 -0.292 -5.184
72 3HG2 ILE 10 3HG2 ILE 10 8.334 -1.064 -4.253
73 1HD1 ILE 10 1HD1 ILE 10 8.310 3.047 -3.506
74 2HD1 ILE 10 2HD1 ILE 10 8.049 1.815 -4.756
75 3HD1 ILE 10 3HD1 ILE 10 6.652 2.626 -3.999
76 1HN DAB 11 1HN DAB 11 3.343 1.800 -2.324
77 HA DAB 11 HA DAB 11 3.206 2.817 -5.149
78 1HB DAB 11 1HB DAB 11 1.637 0.738 -4.913
79 2HB DAB 11 2HB DAB 11 0.623 1.698 -3.868
80 1HG DAB 11 1HG DAB 11 1.379 2.376 -6.795
81 2HG DAB 11 2HG DAB 11 -0.070 1.525 -6.313
82 2HD DAB 11 2HD DAB 11 0.508 4.478 -5.632
83 H THR 12 H THR 12 3.548 4.848 -4.664
84 HA THR 12 HA THR 12 1.634 6.361 -2.892
85 HB THR 12 HB THR 12 3.390 5.740 -1.306
86 HG1 THR 12 HG1 THR 12 3.820 7.872 -0.642
87 1HG2 THR 12 1HG2 THR 12 5.411 7.421 -2.929
88 2HG2 THR 12 2HG2 THR 12 5.669 6.704 -1.320
89 3HG2 THR 12 3HG2 THR 12 5.471 5.650 -2.737
90 H THR 13 H THR 13 1.138 8.286 -3.681
91 HA THR 13 HA THR 13 2.431 9.188 -6.304
92 HB THR 13 HB THR 13 -0.244 10.030 -5.062
93 HG1 THR 13 HG1 THR 13 0.019 7.838 -5.818
94 1HG2 THR 13 1HG2 THR 13 0.861 10.552 -7.903
95 2HG2 THR 13 2HG2 THR 13 -0.786 10.920 -7.333
96 3HG2 THR 13 3HG2 THR 13 0.602 11.792 -6.648
97 H ALA 14 H ALA 14 4.181 10.336 -5.740
98 HA ALA 14 HA ALA 14 3.829 12.929 -4.159
99 1HB ALA 14 1HB ALA 14 6.100 10.892 -3.606
100 2HB ALA 14 2HB ALA 14 5.946 12.515 -2.887
101 3HB ALA 14 3HB ALA 14 4.740 11.265 -2.517
102 HXT ALA 14 HXT ALA 14 5.509 14.372 -6.705
Start of MODEL 15
1 1H ACE 1 1H ACE 1 -9.587 4.907 -12.805
2 2H ACE 1 2H ACE 1 -7.965 5.640 -12.850
3 3H ACE 1 3H ACE 1 -8.148 3.860 -12.861
4 H ILE 2 H ILE 2 -6.531 4.805 -11.058
5 HA ILE 2 HA ILE 2 -7.900 5.255 -8.424
6 HB ILE 2 HB ILE 2 -7.967 2.758 -8.774
7 1HG1 ILE 2 1HG1 ILE 2 -7.065 2.203 -6.384
8 2HG1 ILE 2 2HG1 ILE 2 -6.633 3.899 -6.262
9 1HG2 ILE 2 1HG2 ILE 2 -4.963 2.620 -8.182
10 2HG2 ILE 2 2HG2 ILE 2 -6.093 1.277 -8.384
11 3HG2 ILE 2 3HG2 ILE 2 -5.700 2.308 -9.773
12 1HD1 ILE 2 1HD1 ILE 2 -9.473 2.771 -6.839
13 2HD1 ILE 2 2HD1 ILE 2 -8.899 3.387 -5.272
14 3HD1 ILE 2 3HD1 ILE 2 -9.100 4.502 -6.647
15 H TRP 3 H TRP 3 -6.910 7.206 -8.204
16 HA TRP 3 HA TRP 3 -3.891 7.170 -7.727
17 1HB TRP 3 1HB TRP 3 -3.556 9.284 -8.702
18 2HB TRP 3 2HB TRP 3 -4.240 8.192 -9.870
19 HD1 TRP 3 HD1 TRP 3 -4.756 11.625 -8.347
20 HE1 TRP 3 HE1 TRP 3 -6.863 12.881 -9.351
21 HE3 TRP 3 HE3 TRP 3 -6.767 7.574 -10.619
22 HZ2 TRP 3 HZ2 TRP 3 -9.076 12.003 -10.946
23 HZ3 TRP 3 HZ3 TRP 3 -8.915 7.811 -11.870
24 HH2 TRP 3 HH2 TRP 3 -10.043 9.994 -12.022
25 H GLY 4 H GLY 4 -4.195 6.842 -5.627
26 1HA GLY 4 1HA GLY 4 -4.606 9.283 -3.891
27 2HA GLY 4 2HA GLY 4 -5.846 8.047 -3.654
28 H GLU 5 H GLU 5 -5.122 5.918 -2.983
29 HA GLU 5 HA GLU 5 -2.295 5.522 -2.052
30 1HB GLU 5 1HB GLU 5 -3.546 6.792 -0.138
31 2HB GLU 5 2HB GLU 5 -4.465 5.330 0.129
32 1HG GLU 5 1HG GLU 5 -1.415 5.743 0.393
33 2HG GLU 5 2HG GLU 5 -2.568 5.559 1.689
34 H SER 6 H SER 6 -2.206 3.809 -3.411
35 HA SER 6 HA SER 6 -3.550 1.318 -2.540
36 1HB SER 6 1HB SER 6 -4.662 0.688 -4.664
37 2HB SER 6 2HB SER 6 -5.333 2.190 -4.051
38 HG SER 6 HG SER 6 -3.818 3.272 -5.503
39 H GLY 7 H GLY 7 -2.812 -0.635 -4.107
40 1HA GLY 7 1HA GLY 7 -0.937 -1.461 -5.477
41 2HA GLY 7 2HA GLY 7 0.142 -0.248 -4.816
42 H LYS 8 H LYS 8 -0.752 -3.475 -4.507
43 HA LYS 8 HA LYS 8 -0.647 -4.063 -1.737
44 1HB LYS 8 1HB LYS 8 -1.269 -5.628 -3.620
45 2HB LYS 8 2HB LYS 8 0.432 -5.817 -4.018
46 1HG LYS 8 1HG LYS 8 0.802 -6.785 -1.644
47 2HG LYS 8 2HG LYS 8 -0.919 -6.592 -1.351
48 1HD LYS 8 1HD LYS 8 -0.619 -8.879 -1.908
49 2HD LYS 8 2HD LYS 8 -1.404 -8.165 -3.311
50 1HE LYS 8 1HE LYS 8 0.861 -8.057 -4.502
51 2HE LYS 8 2HE LYS 8 1.640 -8.742 -3.068
52 1HZ LYS 8 1HZ LYS 8 1.166 -10.446 -4.672
53 2HZ LYS 8 2HZ LYS 8 0.271 -10.723 -3.331
54 H LEU 9 H LEU 9 2.265 -4.160 -3.862
55 HA LEU 9 HA LEU 9 4.084 -4.476 -1.488
56 1HB LEU 9 1HB LEU 9 5.040 -3.909 -4.336
57 2HB LEU 9 2HB LEU 9 5.964 -4.555 -2.998
58 HG LEU 9 HG LEU 9 3.684 -5.942 -4.498
59 1HD1 LEU 9 1HD1 LEU 9 5.760 -5.721 -5.865
60 2HD1 LEU 9 2HD1 LEU 9 6.721 -6.500 -4.585
61 3HD1 LEU 9 3HD1 LEU 9 5.468 -7.421 -5.454
62 1HD2 LEU 9 1HD2 LEU 9 5.495 -7.144 -2.282
63 2HD2 LEU 9 2HD2 LEU 9 3.748 -6.824 -2.145
64 3HD2 LEU 9 3HD2 LEU 9 4.329 -8.063 -3.268
65 H ILE 10 H ILE 10 3.909 -2.047 -4.065
66 HA ILE 10 HA ILE 10 4.956 0.091 -2.139
67 HB ILE 10 HB ILE 10 5.366 1.506 -4.216
68 1HG1 ILE 10 1HG1 ILE 10 6.133 0.255 -6.275
69 2HG1 ILE 10 2HG1 ILE 10 5.254 -1.165 -5.753
70 1HG2 ILE 10 1HG2 ILE 10 7.096 -0.996 -3.767
71 2HG2 ILE 10 2HG2 ILE 10 7.629 0.539 -4.494
72 3HG2 ILE 10 3HG2 ILE 10 7.140 0.495 -2.796
73 1HD1 ILE 10 1HD1 ILE 10 4.132 0.318 -7.532
74 2HD1 ILE 10 2HD1 ILE 10 3.097 -0.012 -6.134
75 3HD1 ILE 10 3HD1 ILE 10 3.907 1.575 -6.293
76 1HN DAB 11 1HN DAB 11 3.405 0.912 -1.056
77 HA DAB 11 HA DAB 11 0.695 1.578 -2.287
78 1HB DAB 11 1HB DAB 11 0.838 0.280 -0.092
79 2HB DAB 11 2HB DAB 11 1.372 1.743 0.701
80 1HG DAB 11 1HG DAB 11 -1.316 1.312 -0.783
81 2HG DAB 11 2HG DAB 11 -1.070 1.223 0.955
82 2HD DAB 11 2HD DAB 11 -0.419 3.904 -0.314
83 H THR 12 H THR 12 1.356 3.247 -3.471
84 HA THR 12 HA THR 12 2.045 5.897 -2.054
85 HB THR 12 HB THR 12 3.015 5.040 -4.844
86 HG1 THR 12 HG1 THR 12 4.350 5.370 -2.367
87 1HG2 THR 12 1HG2 THR 12 4.481 7.070 -4.709
88 2HG2 THR 12 2HG2 THR 12 2.770 7.542 -4.703
89 3HG2 THR 12 3HG2 THR 12 3.704 7.562 -3.185
90 H THR 13 H THR 13 0.863 5.108 -5.351
91 HA THR 13 HA THR 13 -1.725 6.598 -4.748
92 HB THR 13 HB THR 13 -1.676 7.743 -6.985
93 HG1 THR 13 HG1 THR 13 0.428 8.090 -7.837
94 1HG2 THR 13 1HG2 THR 13 -1.172 9.053 -4.915
95 2HG2 THR 13 2HG2 THR 13 0.560 8.680 -5.092
96 3HG2 THR 13 3HG2 THR 13 -0.273 9.656 -6.325
97 H ALA 14 H ALA 14 -0.216 4.862 -7.507
98 HA ALA 14 HA ALA 14 -2.846 3.387 -7.943
99 1HB ALA 14 1HB ALA 14 -1.931 2.822 -10.180
100 2HB ALA 14 2HB ALA 14 -1.863 4.571 -9.899
101 3HB ALA 14 3HB ALA 14 -0.376 3.593 -9.781
102 HXT ALA 14 HXT ALA 14 0.533 2.706 -7.684
Start of MODEL 16
1 1H ACE 1 1H ACE 1 0.109 4.529 -11.568
2 2H ACE 1 2H ACE 1 0.250 5.879 -12.722
3 3H ACE 1 3H ACE 1 1.332 5.809 -11.310
4 H ILE 2 H ILE 2 0.171 5.725 -9.208
5 HA ILE 2 HA ILE 2 -1.842 7.925 -9.035
6 HB ILE 2 HB ILE 2 -3.191 5.757 -9.283
7 1HG1 ILE 2 1HG1 ILE 2 -4.830 6.439 -7.336
8 2HG1 ILE 2 2HG1 ILE 2 -3.698 7.737 -7.005
9 1HG2 ILE 2 1HG2 ILE 2 -1.936 4.244 -7.722
10 2HG2 ILE 2 2HG2 ILE 2 -2.567 5.174 -6.337
11 3HG2 ILE 2 3HG2 ILE 2 -3.681 4.307 -7.409
12 1HD1 ILE 2 1HD1 ILE 2 -5.133 7.191 -9.710
13 2HD1 ILE 2 2HD1 ILE 2 -5.567 8.454 -8.537
14 3HD1 ILE 2 3HD1 ILE 2 -4.026 8.558 -9.427
15 H TRP 3 H TRP 3 -0.550 9.250 -7.902
16 HA TRP 3 HA TRP 3 1.083 8.253 -5.547
17 1HB TRP 3 1HB TRP 3 1.049 10.975 -6.969
18 2HB TRP 3 2HB TRP 3 1.888 10.693 -5.467
19 HD1 TRP 3 HD1 TRP 3 4.238 9.534 -5.495
20 HE1 TRP 3 HE1 TRP 3 5.872 8.483 -7.290
21 HE3 TRP 3 HE3 TRP 3 0.927 9.566 -9.359
22 HZ2 TRP 3 HZ2 TRP 3 5.559 7.798 -10.044
23 HZ3 TRP 3 HZ3 TRP 3 1.635 8.671 -11.560
24 HH2 TRP 3 HH2 TRP 3 3.913 7.796 -11.893
25 H GLY 4 H GLY 4 -0.636 7.651 -4.348
26 1HA GLY 4 1HA GLY 4 -1.548 9.601 -2.279
27 2HA GLY 4 2HA GLY 4 -2.886 9.127 -3.336
28 H GLU 5 H GLU 5 -3.097 6.682 -3.659
29 HA GLU 5 HA GLU 5 -1.978 4.909 -1.600
30 1HB GLU 5 1HB GLU 5 -4.418 6.223 -0.784
31 2HB GLU 5 2HB GLU 5 -4.938 4.627 -1.225
32 1HG GLU 5 1HG GLU 5 -2.805 5.377 0.879
33 2HG GLU 5 2HG GLU 5 -4.414 4.784 1.176
34 H SER 6 H SER 6 -1.875 2.880 -2.361
35 HA SER 6 HA SER 6 -3.712 1.964 -4.632
36 1HB SER 6 1HB SER 6 -1.834 1.072 -5.967
37 2HB SER 6 2HB SER 6 -1.713 2.809 -5.800
38 HG SER 6 HG SER 6 -0.201 2.487 -4.109
39 H GLY 7 H GLY 7 -1.527 -0.442 -4.356
40 1HA GLY 7 1HA GLY 7 -1.934 -1.733 -1.826
41 2HA GLY 7 2HA GLY 7 -3.402 -2.105 -2.716
42 H LYS 8 H LYS 8 0.133 -2.266 -3.056
43 HA LYS 8 HA LYS 8 -0.026 -5.120 -4.048
44 1HB LYS 8 1HB LYS 8 1.341 -2.949 -5.767
45 2HB LYS 8 2HB LYS 8 1.641 -4.673 -5.924
46 1HG LYS 8 1HG LYS 8 -0.807 -5.058 -6.471
47 2HG LYS 8 2HG LYS 8 -1.084 -3.318 -6.380
48 1HD LYS 8 1HD LYS 8 0.608 -2.942 -8.226
49 2HD LYS 8 2HD LYS 8 0.879 -4.685 -8.329
50 1HE LYS 8 1HE LYS 8 -1.566 -5.034 -8.942
51 2HE LYS 8 2HE LYS 8 -1.841 -3.288 -8.838
52 1HZ LYS 8 1HZ LYS 8 -1.431 -3.948 -11.096
53 2HZ LYS 8 2HZ LYS 8 -0.215 -2.972 -10.603
54 H LEU 9 H LEU 9 2.573 -2.671 -4.009
55 HA LEU 9 HA LEU 9 3.876 -4.078 -1.625
56 1HB LEU 9 1HB LEU 9 5.010 -4.841 -3.736
57 2HB LEU 9 2HB LEU 9 5.323 -3.178 -4.187
58 HG LEU 9 HG LEU 9 6.760 -2.920 -2.076
59 1HD1 LEU 9 1HD1 LEU 9 7.598 -5.010 -0.943
60 2HD1 LEU 9 2HD1 LEU 9 5.863 -4.792 -0.669
61 3HD1 LEU 9 3HD1 LEU 9 6.426 -5.992 -1.858
62 1HD2 LEU 9 1HD2 LEU 9 7.778 -3.341 -4.319
63 2HD2 LEU 9 2HD2 LEU 9 8.719 -4.133 -3.042
64 3HD2 LEU 9 3HD2 LEU 9 7.641 -5.100 -4.079
65 H ILE 10 H ILE 10 4.939 -1.277 -3.471
66 HA ILE 10 HA ILE 10 4.728 0.451 -1.092
67 HB ILE 10 HB ILE 10 6.526 0.835 -2.781
68 1HG1 ILE 10 1HG1 ILE 10 5.004 3.398 -2.037
69 2HG1 ILE 10 2HG1 ILE 10 5.796 2.386 -0.843
70 1HG2 ILE 10 1HG2 ILE 10 4.517 2.570 -4.384
71 2HG2 ILE 10 2HG2 ILE 10 6.242 2.396 -4.697
72 3HG2 ILE 10 3HG2 ILE 10 5.162 1.021 -4.968
73 1HD1 ILE 10 1HD1 ILE 10 7.304 4.200 -1.429
74 2HD1 ILE 10 2HD1 ILE 10 8.014 2.664 -1.997
75 3HD1 ILE 10 3HD1 ILE 10 7.248 3.783 -3.159
76 1HN DAB 11 1HN DAB 11 2.969 1.289 -0.315
77 HA DAB 11 HA DAB 11 0.443 1.473 -1.889
78 1HB DAB 11 1HB DAB 11 0.650 0.591 0.482
79 2HB DAB 11 2HB DAB 11 0.811 2.228 1.069
80 1HG DAB 11 1HG DAB 11 -1.602 1.134 -0.545
81 2HG DAB 11 2HG DAB 11 -1.484 1.084 1.208
82 2HD DAB 11 2HD DAB 11 -1.190 3.882 0.392
83 H THR 12 H THR 12 2.380 4.062 -0.186
84 HA THR 12 HA THR 12 0.520 6.117 -1.298
85 HB THR 12 HB THR 12 1.132 6.360 0.991
86 HG1 THR 12 HG1 THR 12 1.648 8.543 0.837
87 1HG2 THR 12 1HG2 THR 12 4.014 7.113 0.177
88 2HG2 THR 12 2HG2 THR 12 3.294 7.207 1.796
89 3HG2 THR 12 3HG2 THR 12 3.563 5.622 1.043
90 H THR 13 H THR 13 4.089 5.708 -1.703
91 HA THR 13 HA THR 13 3.959 7.618 -4.071
92 HB THR 13 HB THR 13 6.382 6.354 -2.678
93 HG1 THR 13 HG1 THR 13 5.020 7.880 -1.529
94 1HG2 THR 13 1HG2 THR 13 6.985 7.108 -5.026
95 2HG2 THR 13 2HG2 THR 13 6.315 8.720 -4.667
96 3HG2 THR 13 3HG2 THR 13 7.732 8.125 -3.777
97 H ALA 14 H ALA 14 2.596 6.081 -5.217
98 HA ALA 14 HA ALA 14 4.121 3.807 -6.616
99 1HB ALA 14 1HB ALA 14 2.091 3.089 -5.370
100 2HB ALA 14 2HB ALA 14 1.073 4.205 -6.308
101 3HB ALA 14 3HB ALA 14 1.887 2.843 -7.113
102 HXT ALA 14 HXT ALA 14 1.586 6.045 -7.350
Start of MODEL 17
1 1H ACE 1 1H ACE 1 -12.143 3.564 -9.035
2 2H ACE 1 2H ACE 1 -13.030 5.086 -8.777
3 3H ACE 1 3H ACE 1 -11.562 5.082 -9.784
4 H ILE 2 H ILE 2 -9.642 4.138 -8.603
5 HA ILE 2 HA ILE 2 -9.249 5.635 -6.032
6 HB ILE 2 HB ILE 2 -10.081 3.358 -5.336
7 1HG1 ILE 2 1HG1 ILE 2 -8.208 3.011 -3.545
8 2HG1 ILE 2 2HG1 ILE 2 -7.395 4.382 -4.276
9 1HG2 ILE 2 1HG2 ILE 2 -8.679 1.376 -5.238
10 2HG2 ILE 2 2HG2 ILE 2 -8.896 1.837 -6.936
11 3HG2 ILE 2 3HG2 ILE 2 -7.357 2.171 -6.105
12 1HD1 ILE 2 1HD1 ILE 2 -9.467 5.813 -3.777
13 2HD1 ILE 2 2HD1 ILE 2 -10.277 4.372 -3.112
14 3HD1 ILE 2 3HD1 ILE 2 -8.833 5.030 -2.308
15 H TRP 3 H TRP 3 -7.863 7.029 -7.015
16 HA TRP 3 HA TRP 3 -5.166 5.901 -7.925
17 1HB TRP 3 1HB TRP 3 -4.920 7.551 -9.601
18 2HB TRP 3 2HB TRP 3 -6.346 6.600 -9.889
19 HD1 TRP 3 HD1 TRP 3 -5.183 10.196 -9.516
20 HE1 TRP 3 HE1 TRP 3 -7.155 11.940 -9.846
21 HE3 TRP 3 HE3 TRP 3 -8.942 6.823 -9.207
22 HZ2 TRP 3 HZ2 TRP 3 -10.007 11.662 -9.919
23 HZ3 TRP 3 HZ3 TRP 3 -11.308 7.603 -9.385
24 HH2 TRP 3 HH2 TRP 3 -11.820 9.987 -9.733
25 H GLY 4 H GLY 4 -4.401 6.061 -5.911
26 1HA GLY 4 1HA GLY 4 -2.951 8.509 -5.171
27 2HA GLY 4 2HA GLY 4 -4.399 8.440 -4.169
28 H GLU 5 H GLU 5 -4.727 6.338 -3.011
29 HA GLU 5 HA GLU 5 -2.064 5.146 -2.013
30 1HB GLU 5 1HB GLU 5 -3.625 6.838 -0.423
31 2HB GLU 5 2HB GLU 5 -4.312 5.307 0.020
32 1HG GLU 5 1HG GLU 5 -1.380 6.208 0.240
33 2HG GLU 5 2HG GLU 5 -2.543 6.065 1.532
34 H SER 6 H SER 6 -2.370 3.565 -3.568
35 HA SER 6 HA SER 6 -4.176 1.284 -2.774
36 1HB SER 6 1HB SER 6 -5.230 0.974 -4.987
37 2HB SER 6 2HB SER 6 -5.753 2.431 -4.158
38 HG SER 6 HG SER 6 -3.687 2.385 -6.106
39 H GLY 7 H GLY 7 -2.168 -0.189 -2.589
40 1HA GLY 7 1HA GLY 7 -1.048 -1.153 -5.122
41 2HA GLY 7 2HA GLY 7 0.049 -0.032 -4.328
42 H LYS 8 H LYS 8 -0.813 -3.262 -4.471
43 HA LYS 8 HA LYS 8 -0.463 -4.264 -1.844
44 1HB LYS 8 1HB LYS 8 0.452 -5.678 -4.405
45 2HB LYS 8 2HB LYS 8 0.209 -6.449 -2.857
46 1HG LYS 8 1HG LYS 8 -2.006 -5.202 -4.607
47 2HG LYS 8 2HG LYS 8 -1.605 -6.890 -4.435
48 1HD LYS 8 1HD LYS 8 -3.386 -6.863 -3.021
49 2HD LYS 8 2HD LYS 8 -2.126 -6.564 -1.835
50 1HE LYS 8 1HE LYS 8 -2.675 -4.034 -1.988
51 2HE LYS 8 2HE LYS 8 -3.925 -4.411 -3.174
52 1HZ LYS 8 1HZ LYS 8 -4.798 -4.214 -0.931
53 2HZ LYS 8 2HZ LYS 8 -3.837 -5.416 -0.380
54 H LEU 9 H LEU 9 2.294 -3.899 -4.152
55 HA LEU 9 HA LEU 9 4.259 -4.603 -1.984
56 1HB LEU 9 1HB LEU 9 4.629 -5.347 -4.337
57 2HB LEU 9 2HB LEU 9 4.719 -3.682 -4.873
58 HG LEU 9 HG LEU 9 6.788 -3.352 -3.409
59 1HD1 LEU 9 1HD1 LEU 9 6.634 -6.422 -3.023
60 2HD1 LEU 9 2HD1 LEU 9 8.024 -5.392 -2.597
61 3HD1 LEU 9 3HD1 LEU 9 6.489 -5.196 -1.738
62 1HD2 LEU 9 1HD2 LEU 9 6.980 -5.573 -5.548
63 2HD2 LEU 9 2HD2 LEU 9 6.974 -3.819 -5.858
64 3HD2 LEU 9 3HD2 LEU 9 8.322 -4.554 -4.971
65 H ILE 10 H ILE 10 4.320 -1.732 -4.091
66 HA ILE 10 HA ILE 10 5.004 -0.029 -1.685
67 HB ILE 10 HB ILE 10 6.308 0.153 -3.922
68 1HG1 ILE 10 1HG1 ILE 10 5.524 2.797 -2.579
69 2HG1 ILE 10 2HG1 ILE 10 6.491 1.574 -1.773
70 1HG2 ILE 10 1HG2 ILE 10 5.665 1.910 -5.550
71 2HG2 ILE 10 2HG2 ILE 10 4.361 0.715 -5.504
72 3HG2 ILE 10 3HG2 ILE 10 4.176 2.275 -4.675
73 1HD1 ILE 10 1HD1 ILE 10 8.225 1.651 -3.596
74 2HD1 ILE 10 2HD1 ILE 10 7.323 2.976 -4.378
75 3HD1 ILE 10 3HD1 ILE 10 8.010 3.206 -2.751
76 1HN DAB 11 1HN DAB 11 3.521 1.074 -0.616
77 HA DAB 11 HA DAB 11 0.742 0.852 -1.027
78 1HB DAB 11 1HB DAB 11 1.905 1.445 1.103
79 2HB DAB 11 2HB DAB 11 2.089 3.103 0.580
80 1HG DAB 11 1HG DAB 11 -0.664 1.688 0.836
81 2HG DAB 11 2HG DAB 11 0.137 2.446 2.210
82 2HD DAB 11 2HD DAB 11 0.115 4.559 0.377
83 H THR 12 H THR 12 2.598 3.635 -2.293
84 HA THR 12 HA THR 12 0.260 5.210 -3.040
85 HB THR 12 HB THR 12 3.023 5.389 -4.370
86 HG1 THR 12 HG1 THR 12 3.237 7.069 -2.818
87 1HG2 THR 12 1HG2 THR 12 0.808 7.526 -4.105
88 2HG2 THR 12 2HG2 THR 12 2.431 7.768 -4.793
89 3HG2 THR 12 3HG2 THR 12 1.269 6.710 -5.620
90 H THR 13 H THR 13 2.329 3.461 -5.441
91 HA THR 13 HA THR 13 -0.131 2.364 -6.799
92 HB THR 13 HB THR 13 1.753 4.212 -8.400
93 HG1 THR 13 HG1 THR 13 -0.867 4.517 -7.393
94 1HG2 THR 13 1HG2 THR 13 0.071 3.946 -10.241
95 2HG2 THR 13 2HG2 THR 13 0.785 2.372 -9.833
96 3HG2 THR 13 3HG2 THR 13 -0.855 2.779 -9.264
97 H ALA 14 H ALA 14 0.478 0.304 -6.709
98 HA ALA 14 HA ALA 14 3.353 -0.556 -7.231
99 1HB ALA 14 1HB ALA 14 0.977 -2.246 -6.238
100 2HB ALA 14 2HB ALA 14 2.676 -2.761 -6.351
101 3HB ALA 14 3HB ALA 14 2.216 -1.482 -5.211
102 HXT ALA 14 HXT ALA 14 0.666 -2.153 -9.843
Start of MODEL 18
1 1H ACE 1 1H ACE 1 -7.561 3.752 -11.027
2 2H ACE 1 2H ACE 1 -8.087 5.063 -12.113
3 3H ACE 1 3H ACE 1 -6.354 4.840 -11.776
4 H ILE 2 H ILE 2 -5.894 4.826 -9.355
5 HA ILE 2 HA ILE 2 -6.951 7.368 -8.167
6 HB ILE 2 HB ILE 2 -8.442 5.478 -7.288
7 1HG1 ILE 2 1HG1 ILE 2 -8.347 6.406 -4.837
8 2HG1 ILE 2 2HG1 ILE 2 -7.062 7.458 -5.402
9 1HG2 ILE 2 1HG2 ILE 2 -7.826 4.102 -5.403
10 2HG2 ILE 2 2HG2 ILE 2 -6.693 3.743 -6.720
11 3HG2 ILE 2 3HG2 ILE 2 -6.181 4.759 -5.346
12 1HD1 ILE 2 1HD1 ILE 2 -9.330 8.560 -5.482
13 2HD1 ILE 2 2HD1 ILE 2 -8.695 8.424 -7.141
14 3HD1 ILE 2 3HD1 ILE 2 -9.941 7.290 -6.564
15 H TRP 3 H TRP 3 -5.045 8.389 -8.370
16 HA TRP 3 HA TRP 3 -2.455 7.099 -7.486
17 1HB TRP 3 1HB TRP 3 -2.946 9.799 -8.858
18 2HB TRP 3 2HB TRP 3 -1.384 9.199 -8.364
19 HD1 TRP 3 HD1 TRP 3 -0.130 7.396 -9.883
20 HE1 TRP 3 HE1 TRP 3 -0.566 6.258 -12.232
21 HE3 TRP 3 HE3 TRP 3 -4.987 8.839 -10.315
22 HZ2 TRP 3 HZ2 TRP 3 -2.864 6.109 -13.932
23 HZ3 TRP 3 HZ3 TRP 3 -6.281 8.158 -12.325
24 HH2 TRP 3 HH2 TRP 3 -5.232 6.811 -14.099
25 H GLY 4 H GLY 4 -3.118 6.920 -5.389
26 1HA GLY 4 1HA GLY 4 -2.098 9.129 -3.580
27 2HA GLY 4 2HA GLY 4 -3.807 8.747 -3.367
28 H GLU 5 H GLU 5 -4.332 6.519 -2.794
29 HA GLU 5 HA GLU 5 -2.063 4.971 -1.426
30 1HB GLU 5 1HB GLU 5 -3.738 6.385 0.147
31 2HB GLU 5 2HB GLU 5 -4.805 5.028 -0.084
32 1HG GLU 5 1HG GLU 5 -2.044 5.140 1.243
33 2HG GLU 5 2HG GLU 5 -3.579 4.747 1.969
34 H SER 6 H SER 6 -1.901 3.473 -3.012
35 HA SER 6 HA SER 6 -3.913 1.342 -3.102
36 1HB SER 6 1HB SER 6 -4.377 1.299 -5.574
37 2HB SER 6 2HB SER 6 -5.023 2.735 -4.797
38 HG SER 6 HG SER 6 -3.199 3.885 -5.533
39 H GLY 7 H GLY 7 -2.978 -0.707 -4.283
40 1HA GLY 7 1HA GLY 7 -1.110 -1.712 -5.464
41 2HA GLY 7 2HA GLY 7 0.002 -0.498 -4.880
42 H LYS 8 H LYS 8 -0.627 -3.688 -4.478
43 HA LYS 8 HA LYS 8 -0.557 -4.084 -1.613
44 1HB LYS 8 1HB LYS 8 0.435 -5.950 -3.846
45 2HB LYS 8 2HB LYS 8 0.312 -6.412 -2.157
46 1HG LYS 8 1HG LYS 8 -2.160 -5.932 -2.166
47 2HG LYS 8 2HG LYS 8 -2.096 -5.527 -3.872
48 1HD LYS 8 1HD LYS 8 -1.325 -8.275 -2.683
49 2HD LYS 8 2HD LYS 8 -2.909 -7.865 -3.328
50 1HE LYS 8 1HE LYS 8 -1.891 -7.426 -5.619
51 2HE LYS 8 2HE LYS 8 -0.297 -7.873 -4.992
52 1HZ LYS 8 1HZ LYS 8 -2.675 -9.654 -5.013
53 2HZ LYS 8 2HZ LYS 8 -1.203 -10.062 -4.430
54 H LEU 9 H LEU 9 2.262 -4.091 -3.861
55 HA LEU 9 HA LEU 9 4.212 -4.338 -1.602
56 1HB LEU 9 1HB LEU 9 4.977 -3.563 -4.461
57 2HB LEU 9 2HB LEU 9 6.013 -4.208 -3.208
58 HG LEU 9 HG LEU 9 3.753 -5.675 -4.657
59 1HD1 LEU 9 1HD1 LEU 9 5.578 -6.968 -5.796
60 2HD1 LEU 9 2HD1 LEU 9 5.720 -5.231 -6.128
61 3HD1 LEU 9 3HD1 LEU 9 6.813 -6.002 -4.951
62 1HD2 LEU 9 1HD2 LEU 9 4.032 -6.670 -2.362
63 2HD2 LEU 9 2HD2 LEU 9 4.625 -7.805 -3.586
64 3HD2 LEU 9 3HD2 LEU 9 5.783 -6.852 -2.623
65 H ILE 10 H ILE 10 3.594 -1.797 -3.991
66 HA ILE 10 HA ILE 10 4.668 0.328 -2.007
67 HB ILE 10 HB ILE 10 4.784 0.406 -5.062
68 1HG1 ILE 10 1HG1 ILE 10 6.636 -0.856 -4.048
69 2HG1 ILE 10 2HG1 ILE 10 7.202 0.619 -4.787
70 1HG2 ILE 10 1HG2 ILE 10 5.846 2.659 -4.937
71 2HG2 ILE 10 2HG2 ILE 10 4.146 2.693 -4.470
72 3HG2 ILE 10 3HG2 ILE 10 5.404 2.786 -3.219
73 1HD1 ILE 10 1HD1 ILE 10 7.364 1.706 -2.459
74 2HD1 ILE 10 2HD1 ILE 10 6.870 0.155 -1.740
75 3HD1 ILE 10 3HD1 ILE 10 8.392 0.268 -2.646
76 1HN DAB 11 1HN DAB 11 2.741 0.362 -0.914
77 HA DAB 11 HA DAB 11 0.204 1.097 -2.111
78 1HB DAB 11 1HB DAB 11 0.593 0.027 0.160
79 2HB DAB 11 2HB DAB 11 1.011 1.593 0.819
80 1HG DAB 11 1HG DAB 11 -1.704 0.903 -0.527
81 2HG DAB 11 2HG DAB 11 -1.382 0.698 1.193
82 2HD DAB 11 2HD DAB 11 -0.811 3.489 0.472
83 H THR 12 H THR 12 2.777 3.273 -0.858
84 HA THR 12 HA THR 12 1.022 5.723 -1.243
85 HB THR 12 HB THR 12 2.995 7.057 -0.527
86 HG1 THR 12 HG1 THR 12 4.557 5.495 -1.152
87 1HG2 THR 12 1HG2 THR 12 2.248 4.867 1.508
88 2HG2 THR 12 2HG2 THR 12 2.964 6.456 1.870
89 3HG2 THR 12 3HG2 THR 12 1.319 6.358 1.198
90 H THR 13 H THR 13 0.636 5.935 -3.348
91 HA THR 13 HA THR 13 2.854 5.790 -5.412
92 HB THR 13 HB THR 13 1.068 6.011 -7.134
93 HG1 THR 13 HG1 THR 13 -1.057 5.535 -6.347
94 1HG2 THR 13 1HG2 THR 13 1.855 3.727 -6.467
95 2HG2 THR 13 2HG2 THR 13 0.630 3.667 -5.178
96 3HG2 THR 13 3HG2 THR 13 0.126 3.720 -6.884
97 H ALA 14 H ALA 14 0.245 8.228 -4.792
98 HA ALA 14 HA ALA 14 2.338 10.428 -5.179
99 1HB ALA 14 1HB ALA 14 1.277 10.083 -7.440
100 2HB ALA 14 2HB ALA 14 -0.329 10.399 -6.734
101 3HB ALA 14 3HB ALA 14 0.901 11.680 -6.759
102 HXT ALA 14 HXT ALA 14 0.920 11.434 -2.257
Start of MODEL 19
1 1H ACE 1 1H ACE 1 -10.615 -3.854 -5.229
2 2H ACE 1 2H ACE 1 -10.583 -4.331 -3.503
3 3H ACE 1 3H ACE 1 -12.056 -3.622 -4.209
4 H ILE 2 H ILE 2 -8.609 -2.818 -4.158
5 HA ILE 2 HA ILE 2 -9.161 0.097 -3.842
6 HB ILE 2 HB ILE 2 -9.259 -0.912 -1.477
7 1HG1 ILE 2 1HG1 ILE 2 -7.795 1.057 -0.498
8 2HG1 ILE 2 2HG1 ILE 2 -7.550 1.523 -2.171
9 1HG2 ILE 2 1HG2 ILE 2 -7.272 -1.282 -0.150
10 2HG2 ILE 2 2HG2 ILE 2 -7.268 -2.418 -1.512
11 3HG2 ILE 2 3HG2 ILE 2 -6.199 -0.996 -1.534
12 1HD1 ILE 2 1HD1 ILE 2 -9.503 2.724 -1.122
13 2HD1 ILE 2 2HD1 ILE 2 -10.116 1.682 -2.431
14 3HD1 ILE 2 3HD1 ILE 2 -10.287 1.179 -0.733
15 H TRP 3 H TRP 3 -8.032 0.763 -5.565
16 HA TRP 3 HA TRP 3 -5.067 0.058 -5.779
17 1HB TRP 3 1HB TRP 3 -6.437 -1.511 -7.253
18 2HB TRP 3 2HB TRP 3 -6.915 -0.130 -8.221
19 HD1 TRP 3 HD1 TRP 3 -4.974 1.002 -9.812
20 HE1 TRP 3 HE1 TRP 3 -2.785 0.017 -10.921
21 HE3 TRP 3 HE3 TRP 3 -4.523 -3.027 -6.712
22 HZ2 TRP 3 HZ2 TRP 3 -1.219 -2.316 -10.405
23 HZ3 TRP 3 HZ3 TRP 3 -2.668 -4.620 -7.082
24 HH2 TRP 3 HH2 TRP 3 -1.046 -4.273 -8.903
25 H GLY 4 H GLY 4 -4.499 2.020 -5.161
26 1HA GLY 4 1HA GLY 4 -4.558 4.322 -7.015
27 2HA GLY 4 2HA GLY 4 -5.677 4.634 -5.680
28 H GLU 5 H GLU 5 -4.790 4.590 -3.512
29 HA GLU 5 HA GLU 5 -1.774 5.217 -3.382
30 1HB GLU 5 1HB GLU 5 -3.495 7.153 -2.797
31 2HB GLU 5 2HB GLU 5 -3.642 6.348 -1.253
32 1HG GLU 5 1HG GLU 5 -1.089 7.504 -2.557
33 2HG GLU 5 2HG GLU 5 -2.001 8.201 -1.244
34 H SER 6 H SER 6 -1.938 2.853 -3.455
35 HA SER 6 HA SER 6 -1.048 1.506 -1.181
36 1HB SER 6 1HB SER 6 -2.852 -0.087 -0.426
37 2HB SER 6 2HB SER 6 -3.102 1.573 0.088
38 HG SER 6 HG SER 6 -4.996 0.715 -0.715
39 H GLY 7 H GLY 7 -3.419 -0.468 -2.911
40 1HA GLY 7 1HA GLY 7 -3.256 -1.415 -5.149
41 2HA GLY 7 2HA GLY 7 -1.613 -0.877 -5.329
42 H LYS 8 H LYS 8 -0.027 -1.984 -3.908
43 HA LYS 8 HA LYS 8 -0.674 -4.741 -2.970
44 1HB LYS 8 1HB LYS 8 0.800 -6.037 -4.456
45 2HB LYS 8 2HB LYS 8 -0.610 -5.365 -5.240
46 1HG LYS 8 1HG LYS 8 0.827 -3.530 -6.265
47 2HG LYS 8 2HG LYS 8 2.258 -4.266 -5.540
48 1HD LYS 8 1HD LYS 8 1.858 -6.383 -6.827
49 2HD LYS 8 2HD LYS 8 0.365 -5.719 -7.498
50 1HE LYS 8 1HE LYS 8 1.692 -3.858 -8.621
51 2HE LYS 8 2HE LYS 8 3.191 -4.530 -7.959
52 1HZ LYS 8 1HZ LYS 8 2.765 -5.267 -10.221
53 2HZ LYS 8 2HZ LYS 8 1.334 -5.941 -9.803
54 H LEU 9 H LEU 9 2.250 -2.830 -3.866
55 HA LEU 9 HA LEU 9 3.325 -3.417 -1.060
56 1HB LEU 9 1HB LEU 9 4.365 -5.004 -2.704
57 2HB LEU 9 2HB LEU 9 4.940 -3.654 -3.660
58 HG LEU 9 HG LEU 9 6.366 -2.899 -1.671
59 1HD1 LEU 9 1HD1 LEU 9 5.154 -4.001 0.227
60 2HD1 LEU 9 2HD1 LEU 9 5.526 -5.612 -0.433
61 3HD1 LEU 9 3HD1 LEU 9 6.833 -4.560 0.168
62 1HD2 LEU 9 1HD2 LEU 9 7.335 -4.228 -3.552
63 2HD2 LEU 9 2HD2 LEU 9 8.115 -4.648 -2.016
64 3HD2 LEU 9 3HD2 LEU 9 6.910 -5.749 -2.731
65 H ILE 10 H ILE 10 4.554 -1.545 -3.793
66 HA ILE 10 HA ILE 10 5.179 0.743 -2.050
67 HB ILE 10 HB ILE 10 6.473 0.279 -4.187
68 1HG1 ILE 10 1HG1 ILE 10 5.738 3.225 -3.820
69 2HG1 ILE 10 2HG1 ILE 10 6.663 2.316 -2.637
70 1HG2 ILE 10 1HG2 ILE 10 5.889 1.405 -6.326
71 2HG2 ILE 10 2HG2 ILE 10 4.569 0.302 -5.928
72 3HG2 ILE 10 3HG2 ILE 10 4.392 2.052 -5.660
73 1HD1 ILE 10 1HD1 ILE 10 8.228 3.523 -4.070
74 2HD1 ILE 10 2HD1 ILE 10 8.430 1.776 -4.359
75 3HD1 ILE 10 3HD1 ILE 10 7.558 2.785 -5.544
76 1HN DAB 11 1HN DAB 11 4.092 2.574 -1.495
77 HA DAB 11 HA DAB 11 1.283 2.714 -1.602
78 1HB DAB 11 1HB DAB 11 2.956 3.977 -0.072
79 2HB DAB 11 2HB DAB 11 3.007 5.243 -1.275
80 1HG DAB 11 1HG DAB 11 0.498 4.240 0.246
81 2HG DAB 11 2HG DAB 11 1.470 5.641 0.693
82 2HD DAB 11 2HD DAB 11 0.468 5.974 -2.060
83 H THR 12 H THR 12 3.404 4.482 -3.947
84 HA THR 12 HA THR 12 0.981 5.582 -5.370
85 HB THR 12 HB THR 12 2.827 7.070 -5.117
86 HG1 THR 12 HG1 THR 12 3.001 7.605 -7.337
87 1HG2 THR 12 1HG2 THR 12 4.950 6.958 -6.351
88 2HG2 THR 12 2HG2 THR 12 4.865 5.566 -5.253
89 3HG2 THR 12 3HG2 THR 12 4.573 5.348 -6.995
90 H THR 13 H THR 13 -0.058 3.698 -5.907
91 HA THR 13 HA THR 13 0.944 2.278 -8.422
92 HB THR 13 HB THR 13 -0.072 0.799 -5.917
93 HG1 THR 13 HG1 THR 13 2.035 1.317 -5.708
94 1HG2 THR 13 1HG2 THR 13 0.801 -0.361 -8.648
95 2HG2 THR 13 2HG2 THR 13 0.447 -1.303 -7.177
96 3HG2 THR 13 3HG2 THR 13 -0.848 -0.389 -7.968
97 H ALA 14 H ALA 14 -0.475 3.581 -9.503
98 HA ALA 14 HA ALA 14 -3.479 3.011 -9.161
99 1HB ALA 14 1HB ALA 14 -2.894 5.340 -8.367
100 2HB ALA 14 2HB ALA 14 -2.194 5.716 -9.959
101 3HB ALA 14 3HB ALA 14 -3.934 5.372 -9.804
102 HXT ALA 14 HXT ALA 14 -3.957 2.535 -12.489
Start of MODEL 20
1 1H ACE 1 1H ACE 1 -5.556 4.901 10.158
2 2H ACE 1 2H ACE 1 -5.214 3.632 8.957
3 3H ACE 1 3H ACE 1 -3.870 4.451 9.808
4 H ILE 2 H ILE 2 -3.551 4.474 7.287
5 HA ILE 2 HA ILE 2 -4.791 6.842 5.919
6 HB ILE 2 HB ILE 2 -2.987 7.819 7.379
7 1HG1 ILE 2 1HG1 ILE 2 -1.960 9.281 5.465
8 2HG1 ILE 2 2HG1 ILE 2 -2.941 8.335 4.360
9 1HG2 ILE 2 1HG2 ILE 2 -0.633 7.803 6.841
10 2HG2 ILE 2 2HG2 ILE 2 -1.141 6.129 7.128
11 3HG2 ILE 2 3HG2 ILE 2 -0.862 6.712 5.469
12 1HD1 ILE 2 1HD1 ILE 2 -4.068 10.475 5.084
13 2HD1 ILE 2 2HD1 ILE 2 -5.030 9.087 5.651
14 3HD1 ILE 2 3HD1 ILE 2 -3.983 9.972 6.788
15 H TRP 3 H TRP 3 -5.584 5.547 4.349
16 HA TRP 3 HA TRP 3 -3.609 3.927 2.640
17 1HB TRP 3 1HB TRP 3 -5.168 2.419 3.984
18 2HB TRP 3 2HB TRP 3 -6.518 3.042 3.055
19 HD1 TRP 3 HD1 TRP 3 -3.571 0.617 2.939
20 HE1 TRP 3 HE1 TRP 3 -3.660 -0.963 0.827
21 HE3 TRP 3 HE3 TRP 3 -7.366 3.067 0.527
22 HZ2 TRP 3 HZ2 TRP 3 -5.210 -0.934 -1.564
23 HZ3 TRP 3 HZ3 TRP 3 -8.091 2.247 -1.675
24 HH2 TRP 3 HH2 TRP 3 -7.036 0.276 -2.708
25 H GLY 4 H GLY 4 -3.315 5.430 1.143
26 1HA GLY 4 1HA GLY 4 -5.683 6.957 -0.146
27 2HA GLY 4 2HA GLY 4 -4.021 7.479 -0.203
28 H GLU 5 H GLU 5 -2.578 6.296 -1.542
29 HA GLU 5 HA GLU 5 -3.906 4.884 -3.951
30 1HB GLU 5 1HB GLU 5 -3.159 7.219 -4.507
31 2HB GLU 5 2HB GLU 5 -1.516 6.825 -4.102
32 1HG GLU 5 1HG GLU 5 -3.188 5.688 -6.387
33 2HG GLU 5 2HG GLU 5 -1.933 6.888 -6.517
34 H SER 6 H SER 6 -3.547 2.855 -3.172
35 HA SER 6 HA SER 6 -0.830 1.732 -3.389
36 1HB SER 6 1HB SER 6 -0.600 0.835 -1.023
37 2HB SER 6 2HB SER 6 -0.493 2.581 -1.120
38 HG SER 6 HG SER 6 -2.843 1.123 -0.454
39 H GLY 7 H GLY 7 -0.973 -0.765 -2.381
40 1HA GLY 7 1HA GLY 7 -3.317 -2.289 -2.492
41 2HA GLY 7 2HA GLY 7 -3.001 -2.049 -4.205
42 H LYS 8 H LYS 8 -0.809 -2.674 -4.970
43 HA LYS 8 HA LYS 8 -0.199 -5.430 -4.120
44 1HB LYS 8 1HB LYS 8 -0.193 -4.630 -6.496
45 2HB LYS 8 2HB LYS 8 1.259 -3.686 -6.188
46 1HG LYS 8 1HG LYS 8 2.499 -5.840 -5.617
47 2HG LYS 8 2HG LYS 8 1.026 -6.760 -5.926
48 1HD LYS 8 1HD LYS 8 1.001 -5.928 -8.310
49 2HD LYS 8 2HD LYS 8 2.463 -4.996 -8.032
50 1HE LYS 8 1HE LYS 8 2.274 -8.083 -7.770
51 2HE LYS 8 2HE LYS 8 2.792 -7.234 -9.224
52 1HZ LYS 8 1HZ LYS 8 4.621 -6.257 -7.950
53 2HZ LYS 8 2HZ LYS 8 4.157 -7.045 -6.595
54 H LEU 9 H LEU 9 2.043 -2.574 -4.163
55 HA LEU 9 HA LEU 9 3.481 -3.802 -1.748
56 1HB LEU 9 1HB LEU 9 4.589 -4.275 -4.019
57 2HB LEU 9 2HB LEU 9 4.997 -2.584 -4.146
58 HG LEU 9 HG LEU 9 5.802 -4.346 -1.751
59 1HD1 LEU 9 1HD1 LEU 9 7.447 -3.876 -4.327
60 2HD1 LEU 9 2HD1 LEU 9 8.007 -4.750 -2.878
61 3HD1 LEU 9 3HD1 LEU 9 6.678 -5.409 -3.846
62 1HD2 LEU 9 1HD2 LEU 9 6.151 -1.967 -1.227
63 2HD2 LEU 9 2HD2 LEU 9 7.725 -2.727 -1.467
64 3HD2 LEU 9 3HD2 LEU 9 7.039 -1.706 -2.755
65 H ILE 10 H ILE 10 4.654 -0.876 -3.143
66 HA ILE 10 HA ILE 10 2.889 0.840 -1.383
67 HB ILE 10 HB ILE 10 4.850 0.043 0.024
68 1HG1 ILE 10 1HG1 ILE 10 5.257 2.388 1.065
69 2HG1 ILE 10 2HG1 ILE 10 4.230 3.042 -0.200
70 1HG2 ILE 10 1HG2 ILE 10 6.767 0.425 -1.624
71 2HG2 ILE 10 2HG2 ILE 10 6.600 2.170 -1.332
72 3HG2 ILE 10 3HG2 ILE 10 7.017 1.086 0.003
73 1HD1 ILE 10 1HD1 ILE 10 3.402 0.861 1.854
74 2HD1 ILE 10 2HD1 ILE 10 3.008 2.591 1.966
75 3HD1 ILE 10 3HD1 ILE 10 2.309 1.606 0.660
76 1HN DAB 11 1HN DAB 11 1.980 1.783 -3.141
77 HA DAB 11 HA DAB 11 3.611 3.219 -5.180
78 1HB DAB 11 1HB DAB 11 1.651 2.098 -5.901
79 2HB DAB 11 2HB DAB 11 0.601 2.881 -4.757
80 1HG DAB 11 1HG DAB 11 2.072 4.671 -6.775
81 2HG DAB 11 2HG DAB 11 0.848 3.604 -7.402
82 2HD DAB 11 2HD DAB 11 0.377 5.947 -5.517
83 H THR 12 H THR 12 1.296 4.434 -2.656
84 HA THR 12 HA THR 12 2.917 6.998 -2.566
85 HB THR 12 HB THR 12 -0.121 6.970 -2.491
86 HG1 THR 12 HG1 THR 12 1.758 7.979 -4.367
87 1HG2 THR 12 1HG2 THR 12 1.847 9.353 -2.404
88 2HG2 THR 12 2HG2 THR 12 0.076 9.464 -2.564
89 3HG2 THR 12 3HG2 THR 12 0.791 8.826 -1.069
90 H THR 13 H THR 13 0.107 5.606 -0.751
91 HA THR 13 HA THR 13 1.804 5.070 1.644
92 HB THR 13 HB THR 13 1.405 7.498 1.896
93 HG1 THR 13 HG1 THR 13 0.649 7.299 4.026
94 1HG2 THR 13 1HG2 THR 13 -0.763 8.441 2.615
95 2HG2 THR 13 2HG2 THR 13 -0.938 7.784 0.972
96 3HG2 THR 13 3HG2 THR 13 -1.586 6.885 2.367
97 H ALA 14 H ALA 14 1.058 3.449 2.796
98 HA ALA 14 HA ALA 14 -1.755 2.325 2.248
99 1HB ALA 14 1HB ALA 14 -0.825 0.063 2.629
100 2HB ALA 14 2HB ALA 14 0.060 0.875 1.327
101 3HB ALA 14 3HB ALA 14 0.796 0.731 2.942
102 HXT ALA 14 HXT ALA 14 0.740 2.349 4.646
Start of MODEL 21
1 1H ACE 1 1H ACE 1 4.879 14.032 0.952
2 2H ACE 1 2H ACE 1 4.357 13.400 -0.627
3 3H ACE 1 3H ACE 1 3.999 15.094 -0.173
4 H ILE 2 H ILE 2 1.966 13.656 -0.991
5 HA ILE 2 HA ILE 2 0.399 12.410 1.198
6 HB ILE 2 HB ILE 2 -0.445 15.244 0.411
7 1HG1 ILE 2 1HG1 ILE 2 0.796 15.299 2.521
8 2HG1 ILE 2 2HG1 ILE 2 -0.875 15.639 2.836
9 1HG2 ILE 2 1HG2 ILE 2 -2.691 14.889 1.490
10 2HG2 ILE 2 2HG2 ILE 2 -2.490 13.941 0.016
11 3HG2 ILE 2 3HG2 ILE 2 -2.356 13.142 1.598
12 1HD1 ILE 2 1HD1 ILE 2 -1.226 13.293 3.731
13 2HD1 ILE 2 2HD1 ILE 2 0.495 12.935 3.437
14 3HD1 ILE 2 3HD1 ILE 2 0.035 14.193 4.600
15 H TRP 3 H TRP 3 -0.213 10.724 -0.005
16 HA TRP 3 HA TRP 3 -1.760 11.126 -2.548
17 1HB TRP 3 1HB TRP 3 0.697 11.101 -3.246
18 2HB TRP 3 2HB TRP 3 0.835 9.462 -2.638
19 HD1 TRP 3 HD1 TRP 3 -0.136 7.488 -4.226
20 HE1 TRP 3 HE1 TRP 3 -1.082 7.340 -6.690
21 HE3 TRP 3 HE3 TRP 3 -0.694 12.511 -4.931
22 HZ2 TRP 3 HZ2 TRP 3 -1.893 9.310 -8.590
23 HZ3 TRP 3 HZ3 TRP 3 -1.554 13.325 -7.102
24 HH2 TRP 3 HH2 TRP 3 -2.147 11.752 -8.901
25 H GLY 4 H GLY 4 -3.480 9.971 -1.985
26 1HA GLY 4 1HA GLY 4 -3.359 7.477 -0.225
27 2HA GLY 4 2HA GLY 4 -4.810 8.263 -0.775
28 H GLU 5 H GLU 5 -2.288 6.030 -1.670
29 HA GLU 5 HA GLU 5 -4.164 4.591 -3.574
30 1HB GLU 5 1HB GLU 5 -2.797 6.345 -4.872
31 2HB GLU 5 2HB GLU 5 -1.341 5.455 -4.493
32 1HG GLU 5 1HG GLU 5 -3.758 4.368 -6.095
33 2HG GLU 5 2HG GLU 5 -2.362 5.125 -6.814
34 H SER 6 H SER 6 -4.152 2.606 -2.706
35 HA SER 6 HA SER 6 -1.534 1.407 -1.551
36 1HB SER 6 1HB SER 6 -2.759 0.140 0.123
37 2HB SER 6 2HB SER 6 -2.815 1.869 0.373
38 HG SER 6 HG SER 6 -4.906 1.852 -0.634
39 H GLY 7 H GLY 7 -1.263 0.535 -3.934
40 1HA GLY 7 1HA GLY 7 -3.178 -1.470 -4.899
41 2HA GLY 7 2HA GLY 7 -1.622 -1.073 -5.587
42 H LYS 8 H LYS 8 0.214 -2.247 -4.929
43 HA LYS 8 HA LYS 8 -0.368 -4.918 -3.555
44 1HB LYS 8 1HB LYS 8 0.442 -4.923 -5.940
45 2HB LYS 8 2HB LYS 8 1.971 -4.231 -5.419
46 1HG LYS 8 1HG LYS 8 2.282 -6.273 -3.878
47 2HG LYS 8 2HG LYS 8 0.795 -6.951 -4.509
48 1HD LYS 8 1HD LYS 8 3.307 -6.273 -6.174
49 2HD LYS 8 2HD LYS 8 2.944 -7.859 -5.539
50 1HE LYS 8 1HE LYS 8 1.205 -6.382 -7.634
51 2HE LYS 8 2HE LYS 8 2.425 -7.596 -7.996
52 1HZ LYS 8 1HZ LYS 8 0.015 -8.086 -6.337
53 2HZ LYS 8 2HZ LYS 8 1.158 -9.201 -6.680
54 H LEU 9 H LEU 9 2.751 -3.151 -3.749
55 HA LEU 9 HA LEU 9 2.866 -3.156 -0.671
56 1HB LEU 9 1HB LEU 9 5.361 -3.445 -2.416
57 2HB LEU 9 2HB LEU 9 5.254 -3.524 -0.672
58 HG LEU 9 HG LEU 9 4.115 -5.530 -2.670
59 1HD1 LEU 9 1HD1 LEU 9 5.969 -7.052 -1.934
60 2HD1 LEU 9 2HD1 LEU 9 6.605 -5.550 -2.628
61 3HD1 LEU 9 3HD1 LEU 9 6.606 -5.781 -0.862
62 1HD2 LEU 9 1HD2 LEU 9 2.770 -5.615 -0.532
63 2HD2 LEU 9 2HD2 LEU 9 3.745 -7.084 -0.695
64 3HD2 LEU 9 3HD2 LEU 9 4.260 -5.794 0.423
65 H ILE 10 H ILE 10 4.840 -1.692 -3.233
66 HA ILE 10 HA ILE 10 4.420 1.064 -1.946
67 HB ILE 10 HB ILE 10 6.519 1.795 -2.940
68 1HG1 ILE 10 1HG1 ILE 10 8.135 -0.420 -3.509
69 2HG1 ILE 10 2HG1 ILE 10 6.652 -0.897 -4.297
70 1HG2 ILE 10 1HG2 ILE 10 6.913 -0.638 -1.134
71 2HG2 ILE 10 2HG2 ILE 10 8.034 0.727 -1.359
72 3HG2 ILE 10 3HG2 ILE 10 6.450 1.000 -0.612
73 1HD1 ILE 10 1HD1 ILE 10 8.211 1.735 -4.780
74 2HD1 ILE 10 2HD1 ILE 10 8.134 0.328 -5.869
75 3HD1 ILE 10 3HD1 ILE 10 6.689 1.328 -5.603
76 1HN DAB 11 1HN DAB 11 2.825 2.099 -2.924
77 HA DAB 11 HA DAB 11 2.849 2.403 -5.968
78 1HB DAB 11 1HB DAB 11 1.244 0.573 -5.244
79 2HB DAB 11 2HB DAB 11 0.326 1.731 -4.306
80 1HG DAB 11 1HG DAB 11 0.810 2.000 -7.356
81 2HG DAB 11 2HG DAB 11 -0.498 1.046 -6.699
82 2HD DAB 11 2HD DAB 11 -0.293 4.086 -6.579
83 H THR 12 H THR 12 3.672 4.450 -5.796
84 HA THR 12 HA THR 12 1.753 6.568 -4.914
85 HB THR 12 HB THR 12 2.921 6.178 -2.820
86 HG1 THR 12 HG1 THR 12 3.550 8.342 -2.527
87 1HG2 THR 12 1HG2 THR 12 5.267 6.831 -2.395
88 2HG2 THR 12 2HG2 THR 12 5.235 5.488 -3.560
89 3HG2 THR 12 3HG2 THR 12 5.545 7.151 -4.124
90 H THR 13 H THR 13 1.681 8.156 -6.270
91 HA THR 13 HA THR 13 4.084 8.961 -7.977
92 HB THR 13 HB THR 13 2.657 9.141 -10.031
93 HG1 THR 13 HG1 THR 13 0.890 7.514 -8.537
94 1HG2 THR 13 1HG2 THR 13 2.746 6.782 -10.736
95 2HG2 THR 13 2HG2 THR 13 4.213 7.183 -9.814
96 3HG2 THR 13 3HG2 THR 13 2.913 6.231 -9.052
97 H ALA 14 H ALA 14 4.037 10.570 -6.285
98 HA ALA 14 HA ALA 14 1.820 12.629 -6.350
99 1HB ALA 14 1HB ALA 14 2.768 11.937 -4.154
100 2HB ALA 14 2HB ALA 14 4.381 12.524 -4.632
101 3HB ALA 14 3HB ALA 14 3.029 13.667 -4.447
102 HXT ALA 14 HXT ALA 14 3.188 14.788 -8.574
Start of MODEL 22
1 1H ACE 1 1H ACE 1 3.023 13.247 -11.518
2 2H ACE 1 2H ACE 1 1.513 13.406 -12.447
3 3H ACE 1 3H ACE 1 1.455 13.395 -10.667
4 H ILE 2 H ILE 2 2.704 11.396 -9.787
5 HA ILE 2 HA ILE 2 1.311 8.970 -10.819
6 HB ILE 2 HB ILE 2 3.494 9.092 -12.137
7 1HG1 ILE 2 1HG1 ILE 2 4.024 6.549 -11.750
8 2HG1 ILE 2 2HG1 ILE 2 2.717 6.575 -10.580
9 1HG2 ILE 2 1HG2 ILE 2 5.611 8.322 -11.272
10 2HG2 ILE 2 2HG2 ILE 2 5.112 9.734 -10.321
11 3HG2 ILE 2 3HG2 ILE 2 4.962 8.095 -9.638
12 1HD1 ILE 2 1HD1 ILE 2 1.135 7.366 -12.452
13 2HD1 ILE 2 2HD1 ILE 2 2.514 7.372 -13.578
14 3HD1 ILE 2 3HD1 ILE 2 1.955 5.840 -12.870
15 H TRP 3 H TRP 3 0.163 8.700 -8.984
16 HA TRP 3 HA TRP 3 1.672 7.975 -6.447
17 1HB TRP 3 1HB TRP 3 1.121 10.366 -6.164
18 2HB TRP 3 2HB TRP 3 -0.585 10.055 -6.455
19 HD1 TRP 3 HD1 TRP 3 -2.036 8.967 -4.424
20 HE1 TRP 3 HE1 TRP 3 -1.637 8.520 -1.853
21 HE3 TRP 3 HE3 TRP 3 2.990 9.862 -4.449
22 HZ2 TRP 3 HZ2 TRP 3 0.700 8.502 -0.213
23 HZ3 TRP 3 HZ3 TRP 3 4.267 9.574 -2.353
24 HH2 TRP 3 HH2 TRP 3 3.139 8.916 -0.265
25 H GLY 4 H GLY 4 1.092 5.925 -6.374
26 1HA GLY 4 1HA GLY 4 -1.859 5.037 -6.742
27 2HA GLY 4 2HA GLY 4 -0.483 4.047 -7.163
28 H GLU 5 H GLU 5 -2.426 5.242 -4.599
29 HA GLU 5 HA GLU 5 -1.054 3.369 -2.569
30 1HB GLU 5 1HB GLU 5 -0.436 5.615 -1.962
31 2HB GLU 5 2HB GLU 5 -2.086 6.196 -2.037
32 1HG GLU 5 1HG GLU 5 -1.167 5.916 0.292
33 2HG GLU 5 2HG GLU 5 -2.712 5.166 0.007
34 H SER 6 H SER 6 -2.574 2.049 -3.835
35 HA SER 6 HA SER 6 -4.928 1.384 -2.040
36 1HB SER 6 1HB SER 6 -6.594 1.258 -3.878
37 2HB SER 6 2HB SER 6 -6.090 2.895 -3.480
38 HG SER 6 HG SER 6 -6.172 2.499 -5.720
39 H GLY 7 H GLY 7 -3.577 -0.734 -1.626
40 1HA GLY 7 1HA GLY 7 -2.969 -2.931 -2.147
41 2HA GLY 7 2HA GLY 7 -3.905 -2.823 -3.630
42 H LYS 8 H LYS 8 -0.832 -1.658 -2.216
43 HA LYS 8 HA LYS 8 0.643 -2.285 -4.821
44 1HB LYS 8 1HB LYS 8 -0.096 0.184 -4.717
45 2HB LYS 8 2HB LYS 8 0.819 0.375 -3.242
46 1HG LYS 8 1HG LYS 8 2.152 1.330 -4.950
47 2HG LYS 8 2HG LYS 8 2.956 -0.151 -4.518
48 1HD LYS 8 1HD LYS 8 3.100 -0.070 -6.887
49 2HD LYS 8 2HD LYS 8 1.889 -1.286 -6.566
50 1HE LYS 8 1HE LYS 8 1.072 0.028 -8.417
51 2HE LYS 8 2HE LYS 8 0.052 0.464 -7.051
52 1HZ LYS 8 1HZ LYS 8 2.400 2.025 -8.006
53 2HZ LYS 8 2HZ LYS 8 1.460 2.444 -6.741
54 H LEU 9 H LEU 9 2.681 -3.006 -4.563
55 HA LEU 9 HA LEU 9 3.594 -4.059 -2.020
56 1HB LEU 9 1HB LEU 9 5.486 -4.921 -3.042
57 2HB LEU 9 2HB LEU 9 4.181 -5.097 -4.179
58 HG LEU 9 HG LEU 9 6.438 -2.992 -4.361
59 1HD1 LEU 9 1HD1 LEU 9 7.275 -5.326 -4.660
60 2HD1 LEU 9 2HD1 LEU 9 6.071 -5.621 -5.939
61 3HD1 LEU 9 3HD1 LEU 9 7.366 -4.421 -6.181
62 1HD2 LEU 9 1HD2 LEU 9 4.265 -3.675 -6.459
63 2HD2 LEU 9 2HD2 LEU 9 4.462 -2.125 -5.602
64 3HD2 LEU 9 3HD2 LEU 9 5.691 -2.650 -6.756
65 H ILE 10 H ILE 10 4.365 -1.031 -3.484
66 HA ILE 10 HA ILE 10 5.958 -0.197 -1.036
67 HB ILE 10 HB ILE 10 7.557 -0.564 -3.012
68 1HG1 ILE 10 1HG1 ILE 10 8.831 1.666 -2.509
69 2HG1 ILE 10 2HG1 ILE 10 7.495 2.079 -1.453
70 1HG2 ILE 10 1HG2 ILE 10 7.952 1.155 -4.685
71 2HG2 ILE 10 2HG2 ILE 10 6.288 0.578 -4.887
72 3HG2 ILE 10 3HG2 ILE 10 6.609 2.151 -4.110
73 1HD1 ILE 10 1HD1 ILE 10 9.289 -0.451 -1.230
74 2HD1 ILE 10 2HD1 ILE 10 9.426 1.012 -0.231
75 3HD1 ILE 10 3HD1 ILE 10 7.995 -0.033 -0.077
76 1HN DAB 11 1HN DAB 11 4.206 0.691 -0.108
77 HA DAB 11 HA DAB 11 2.027 1.953 -1.317
78 1HB DAB 11 1HB DAB 11 2.587 1.280 1.266
79 2HB DAB 11 2HB DAB 11 2.799 2.999 1.448
80 1HG DAB 11 1HG DAB 11 0.309 1.483 0.438
81 2HG DAB 11 2HG DAB 11 0.519 2.187 2.038
82 2HD DAB 11 2HD DAB 11 0.750 4.428 0.259
83 H THR 12 H THR 12 4.961 3.776 -0.346
84 HA THR 12 HA THR 12 3.696 6.364 -1.266
85 HB THR 12 HB THR 12 4.898 6.531 0.785
86 HG1 THR 12 HG1 THR 12 6.302 8.215 0.115
87 1HG2 THR 12 1HG2 THR 12 7.566 5.871 -0.622
88 2HG2 THR 12 2HG2 THR 12 7.341 6.423 1.051
89 3HG2 THR 12 3HG2 THR 12 6.755 4.818 0.564
90 H THR 13 H THR 13 3.464 6.239 -3.389
91 HA THR 13 HA THR 13 5.657 5.214 -5.236
92 HB THR 13 HB THR 13 2.759 6.042 -5.791
93 HG1 THR 13 HG1 THR 13 3.187 4.119 -4.562
94 1HG2 THR 13 1HG2 THR 13 4.760 4.652 -7.695
95 2HG2 THR 13 2HG2 THR 13 3.020 4.889 -7.996
96 3HG2 THR 13 3HG2 THR 13 4.098 6.296 -7.902
97 H ALA 14 H ALA 14 7.198 6.734 -5.440
98 HA ALA 14 HA ALA 14 6.691 9.658 -5.496
99 1HB ALA 14 1HB ALA 14 9.152 9.859 -5.825
100 2HB ALA 14 2HB ALA 14 8.779 8.721 -4.518
101 3HB ALA 14 3HB ALA 14 9.291 8.108 -6.110
102 HXT ALA 14 HXT ALA 14 7.933 7.469 -7.873
Start of MODEL 23
1 1H ACE 1 1H ACE 1 6.185 3.761 -6.416
2 2H ACE 1 2H ACE 1 5.205 2.483 -7.194
3 3H ACE 1 3H ACE 1 6.323 3.469 -8.164
4 H ILE 2 H ILE 2 3.563 3.770 -6.017
5 HA ILE 2 HA ILE 2 2.394 5.931 -7.826
6 HB ILE 2 HB ILE 2 1.143 3.676 -7.417
7 1HG1 ILE 2 1HG1 ILE 2 -0.616 6.185 -7.284
8 2HG1 ILE 2 2HG1 ILE 2 0.386 5.853 -8.683
9 1HG2 ILE 2 1HG2 ILE 2 -0.050 5.174 -4.981
10 2HG2 ILE 2 2HG2 ILE 2 -0.668 3.690 -5.685
11 3HG2 ILE 2 3HG2 ILE 2 0.921 3.683 -4.901
12 1HD1 ILE 2 1HD1 ILE 2 -1.836 4.953 -9.114
13 2HD1 ILE 2 2HD1 ILE 2 -0.681 3.600 -9.002
14 3HD1 ILE 2 3HD1 ILE 2 -1.786 3.943 -7.646
15 H TRP 3 H TRP 3 1.957 7.918 -7.143
16 HA TRP 3 HA TRP 3 2.666 8.710 -4.270
17 1HB TRP 3 1HB TRP 3 2.455 10.346 -6.870
18 2HB TRP 3 2HB TRP 3 2.310 11.116 -5.320
19 HD1 TRP 3 HD1 TRP 3 4.383 11.966 -4.213
20 HE1 TRP 3 HE1 TRP 3 7.011 11.735 -4.421
21 HE3 TRP 3 HE3 TRP 3 4.363 8.154 -7.615
22 HZ2 TRP 3 HZ2 TRP 3 8.696 9.929 -5.851
23 HZ3 TRP 3 HZ3 TRP 3 6.515 7.207 -8.354
24 HH2 TRP 3 HH2 TRP 3 8.647 8.076 -7.489
25 H GLY 4 H GLY 4 0.887 7.801 -3.348
26 1HA GLY 4 1HA GLY 4 -1.329 9.372 -2.577
27 2HA GLY 4 2HA GLY 4 -1.943 8.599 -4.042
28 H GLU 5 H GLU 5 -2.766 6.566 -3.810
29 HA GLU 5 HA GLU 5 -1.769 4.632 -1.840
30 1HB GLU 5 1HB GLU 5 -3.825 6.390 -0.785
31 2HB GLU 5 2HB GLU 5 -4.664 4.908 -1.096
32 1HG GLU 5 1HG GLU 5 -2.247 5.345 0.752
33 2HG GLU 5 2HG GLU 5 -3.884 4.961 1.202
34 H SER 6 H SER 6 -2.148 2.599 -2.526
35 HA SER 6 HA SER 6 -4.585 1.919 -4.173
36 1HB SER 6 1HB SER 6 -3.438 0.993 -6.108
37 2HB SER 6 2HB SER 6 -3.025 2.692 -5.944
38 HG SER 6 HG SER 6 -1.074 2.012 -4.897
39 H GLY 7 H GLY 7 -2.391 -0.542 -4.610
40 1HA GLY 7 1HA GLY 7 -2.557 -1.870 -1.928
41 2HA GLY 7 2HA GLY 7 -3.760 -2.507 -3.055
42 H LYS 8 H LYS 8 -0.316 -1.848 -2.678
43 HA LYS 8 HA LYS 8 0.475 -4.410 -4.045
44 1HB LYS 8 1HB LYS 8 1.836 -3.370 -5.809
45 2HB LYS 8 2HB LYS 8 0.173 -2.880 -5.980
46 1HG LYS 8 1HG LYS 8 0.717 -0.623 -4.934
47 2HG LYS 8 2HG LYS 8 2.397 -1.117 -4.748
48 1HD LYS 8 1HD LYS 8 2.594 -1.399 -7.258
49 2HD LYS 8 2HD LYS 8 0.909 -0.896 -7.440
50 1HE LYS 8 1HE LYS 8 1.464 1.354 -6.384
51 2HE LYS 8 2HE LYS 8 3.152 0.855 -6.207
52 1HZ LYS 8 1HZ LYS 8 2.852 2.132 -8.206
53 2HZ LYS 8 2HZ LYS 8 3.283 0.607 -8.615
54 H LEU 9 H LEU 9 3.188 -3.940 -4.353
55 HA LEU 9 HA LEU 9 4.166 -4.253 -1.615
56 1HB LEU 9 1HB LEU 9 6.397 -4.540 -2.514
57 2HB LEU 9 2HB LEU 9 5.184 -5.478 -3.326
58 HG LEU 9 HG LEU 9 5.236 -3.600 -5.214
59 1HD1 LEU 9 1HD1 LEU 9 6.665 -1.897 -4.053
60 2HD1 LEU 9 2HD1 LEU 9 7.981 -3.077 -3.877
61 3HD1 LEU 9 3HD1 LEU 9 7.490 -2.501 -5.489
62 1HD2 LEU 9 1HD2 LEU 9 7.605 -5.545 -4.833
63 2HD2 LEU 9 2HD2 LEU 9 6.019 -5.951 -5.535
64 3HD2 LEU 9 3HD2 LEU 9 7.088 -4.811 -6.372
65 H ILE 10 H ILE 10 3.809 -1.371 -3.391
66 HA ILE 10 HA ILE 10 4.942 0.214 -1.079
67 HB ILE 10 HB ILE 10 6.762 0.139 -2.813
68 1HG1 ILE 10 1HG1 ILE 10 7.190 2.716 -2.747
69 2HG1 ILE 10 2HG1 ILE 10 5.669 2.847 -1.878
70 1HG2 ILE 10 1HG2 ILE 10 5.494 0.370 -4.970
71 2HG2 ILE 10 2HG2 ILE 10 5.123 2.063 -4.564
72 3HG2 ILE 10 3HG2 ILE 10 6.800 1.555 -4.799
73 1HD1 ILE 10 1HD1 ILE 10 7.670 2.727 -0.350
74 2HD1 ILE 10 2HD1 ILE 10 6.625 1.315 -0.063
75 3HD1 ILE 10 3HD1 ILE 10 8.118 1.140 -1.020
76 1HN DAB 11 1HN DAB 11 2.896 0.563 -0.353
77 HA DAB 11 HA DAB 11 0.664 1.387 -2.048
78 1HB DAB 11 1HB DAB 11 0.531 0.149 0.155
79 2HB DAB 11 2HB DAB 11 0.845 1.636 1.018
80 1HG DAB 11 1HG DAB 11 -1.562 1.097 -0.857
81 2HG DAB 11 2HG DAB 11 -1.565 0.851 0.884
82 2HD DAB 11 2HD DAB 11 -0.876 3.672 0.235
83 H THR 12 H THR 12 2.685 3.431 0.165
84 HA THR 12 HA THR 12 1.657 5.910 -1.330
85 HB THR 12 HB THR 12 2.326 5.760 1.673
86 HG1 THR 12 HG1 THR 12 0.078 6.289 1.785
87 1HG2 THR 12 1HG2 THR 12 1.387 8.085 1.760
88 2HG2 THR 12 2HG2 THR 12 2.824 8.042 0.717
89 3HG2 THR 12 3HG2 THR 12 1.200 8.103 -0.011
90 H THR 13 H THR 13 3.333 6.155 -2.685
91 HA THR 13 HA THR 13 6.201 5.825 -1.792
92 HB THR 13 HB THR 13 5.148 6.600 -4.578
93 HG1 THR 13 HG1 THR 13 5.903 4.098 -3.483
94 1HG2 THR 13 1HG2 THR 13 7.882 5.425 -3.723
95 2HG2 THR 13 2HG2 THR 13 7.340 5.734 -5.392
96 3HG2 THR 13 3HG2 THR 13 7.608 7.095 -4.285
97 H ALA 14 H ALA 14 7.211 7.484 -0.898
98 HA ALA 14 HA ALA 14 6.472 10.397 -1.598
99 1HB ALA 14 1HB ALA 14 5.902 9.785 0.755
100 2HB ALA 14 2HB ALA 14 7.584 9.277 1.060
101 3HB ALA 14 3HB ALA 14 7.213 10.980 0.702
102 HXT ALA 14 HXT ALA 14 7.739 10.067 -3.326
Start of MODEL 24
1 1H ACE 1 1H ACE 1 4.270 12.907 -2.347
2 2H ACE 1 2H ACE 1 4.942 11.380 -2.973
3 3H ACE 1 3H ACE 1 3.929 12.399 -4.022
4 H ILE 2 H ILE 2 2.417 12.730 -1.330
5 HA ILE 2 HA ILE 2 0.902 10.070 -1.342
6 HB ILE 2 HB ILE 2 1.829 10.664 0.850
7 1HG1 ILE 2 1HG1 ILE 2 -0.222 9.939 2.177
8 2HG1 ILE 2 2HG1 ILE 2 -1.198 10.117 0.733
9 1HG2 ILE 2 1HG2 ILE 2 -0.519 12.621 1.294
10 2HG2 ILE 2 2HG2 ILE 2 0.701 12.119 2.456
11 3HG2 ILE 2 3HG2 ILE 2 1.176 13.129 1.082
12 1HD1 ILE 2 1HD1 ILE 2 0.113 8.243 -0.369
13 2HD1 ILE 2 2HD1 ILE 2 1.191 8.168 1.055
14 3HD1 ILE 2 3HD1 ILE 2 -0.528 7.740 1.205
15 H TRP 3 H TRP 3 0.045 10.680 -3.374
16 HA TRP 3 HA TRP 3 -2.802 11.689 -2.963
17 1HB TRP 3 1HB TRP 3 -2.970 12.886 -5.078
18 2HB TRP 3 2HB TRP 3 -2.057 13.675 -3.829
19 HD1 TRP 3 HD1 TRP 3 -1.698 12.445 -7.451
20 HE1 TRP 3 HE1 TRP 3 0.560 13.370 -8.504
21 HE3 TRP 3 HE3 TRP 3 0.309 13.980 -3.094
22 HZ2 TRP 3 HZ2 TRP 3 2.846 14.685 -7.356
23 HZ3 TRP 3 HZ3 TRP 3 2.523 15.166 -3.094
24 HH2 TRP 3 HH2 TRP 3 3.763 15.496 -5.201
25 H GLY 4 H GLY 4 -3.464 9.696 -2.956
26 1HA GLY 4 1HA GLY 4 -4.623 7.967 -4.490
27 2HA GLY 4 2HA GLY 4 -3.163 7.898 -5.470
28 H GLU 5 H GLU 5 -4.725 6.564 -2.818
29 HA GLU 5 HA GLU 5 -2.160 5.276 -1.688
30 1HB GLU 5 1HB GLU 5 -3.790 6.676 -0.087
31 2HB GLU 5 2HB GLU 5 -4.748 5.219 -0.060
32 1HG GLU 5 1HG GLU 5 -1.854 5.645 0.871
33 2HG GLU 5 2HG GLU 5 -3.264 5.347 1.851
34 H SER 6 H SER 6 -1.965 3.603 -3.071
35 HA SER 6 HA SER 6 -3.780 1.316 -2.832
36 1HB SER 6 1HB SER 6 -3.752 2.610 -5.665
37 2HB SER 6 2HB SER 6 -4.334 0.982 -5.343
38 HG SER 6 HG SER 6 -5.322 3.129 -3.827
39 H GLY 7 H GLY 7 -2.910 -0.684 -4.206
40 1HA GLY 7 1HA GLY 7 -1.044 -1.674 -5.393
41 2HA GLY 7 2HA GLY 7 0.049 -0.421 -4.863
42 H LYS 8 H LYS 8 -0.823 -3.614 -4.290
43 HA LYS 8 HA LYS 8 -0.422 -3.867 -1.447
44 1HB LYS 8 1HB LYS 8 -0.185 -6.243 -1.734
45 2HB LYS 8 2HB LYS 8 -1.513 -5.604 -2.670
46 1HG LYS 8 1HG LYS 8 -0.057 -5.774 -4.792
47 2HG LYS 8 2HG LYS 8 1.230 -6.447 -3.804
48 1HD LYS 8 1HD LYS 8 0.194 -8.305 -4.837
49 2HD LYS 8 2HD LYS 8 -0.282 -8.384 -3.146
50 1HE LYS 8 1HE LYS 8 -2.557 -7.387 -3.755
51 2HE LYS 8 2HE LYS 8 -2.051 -7.277 -5.447
52 1HZ LYS 8 1HZ LYS 8 -3.312 -9.269 -5.062
53 2HZ LYS 8 2HZ LYS 8 -1.784 -9.682 -5.473
54 H LEU 9 H LEU 9 2.095 -4.073 -3.970
55 HA LEU 9 HA LEU 9 4.280 -4.593 -2.014
56 1HB LEU 9 1HB LEU 9 4.336 -5.426 -4.372
57 2HB LEU 9 2HB LEU 9 4.359 -3.780 -4.976
58 HG LEU 9 HG LEU 9 6.608 -3.410 -3.874
59 1HD1 LEU 9 1HD1 LEU 9 7.949 -5.409 -3.114
60 2HD1 LEU 9 2HD1 LEU 9 6.556 -5.138 -2.058
61 3HD1 LEU 9 3HD1 LEU 9 6.510 -6.449 -3.263
62 1HD2 LEU 9 1HD2 LEU 9 7.898 -4.731 -5.558
63 2HD2 LEU 9 2HD2 LEU 9 6.484 -5.771 -5.865
64 3HD2 LEU 9 3HD2 LEU 9 6.436 -4.040 -6.285
65 H ILE 10 H ILE 10 3.188 -1.695 -3.770
66 HA ILE 10 HA ILE 10 4.660 0.042 -1.778
67 HB ILE 10 HB ILE 10 6.097 -0.167 -3.884
68 1HG1 ILE 10 1HG1 ILE 10 6.598 2.406 -3.914
69 2HG1 ILE 10 2HG1 ILE 10 5.322 2.564 -2.723
70 1HG2 ILE 10 1HG2 ILE 10 4.350 0.146 -5.691
71 2HG2 ILE 10 2HG2 ILE 10 4.212 1.860 -5.221
72 3HG2 ILE 10 3HG2 ILE 10 5.747 1.229 -5.836
73 1HD1 ILE 10 1HD1 ILE 10 7.614 2.383 -1.686
74 2HD1 ILE 10 2HD1 ILE 10 6.641 0.982 -1.181
75 3HD1 ILE 10 3HD1 ILE 10 7.872 0.804 -2.457
76 1HN DAB 11 1HN DAB 11 2.843 0.547 -0.722
77 HA DAB 11 HA DAB 11 0.325 1.280 -1.930
78 1HB DAB 11 1HB DAB 11 0.774 0.438 0.442
79 2HB DAB 11 2HB DAB 11 1.197 2.069 0.911
80 1HG DAB 11 1HG DAB 11 -1.536 1.207 -0.294
81 2HG DAB 11 2HG DAB 11 -1.177 1.231 1.433
82 2HD DAB 11 2HD DAB 11 -0.658 3.897 0.266
83 H THR 12 H THR 12 2.929 3.479 -0.884
84 HA THR 12 HA THR 12 1.367 5.964 -1.459
85 HB THR 12 HB THR 12 4.416 5.734 -1.050
86 HG1 THR 12 HG1 THR 12 2.313 6.444 0.715
87 1HG2 THR 12 1HG2 THR 12 3.868 7.915 -2.100
88 2HG2 THR 12 2HG2 THR 12 2.575 8.207 -0.918
89 3HG2 THR 12 3HG2 THR 12 4.273 8.143 -0.387
90 H THR 13 H THR 13 0.679 6.090 -3.486
91 HA THR 13 HA THR 13 2.675 5.994 -5.827
92 HB THR 13 HB THR 13 0.784 5.285 -7.299
93 HG1 THR 13 HG1 THR 13 -0.815 5.948 -5.641
94 1HG2 THR 13 1HG2 THR 13 1.334 3.261 -5.040
95 2HG2 THR 13 2HG2 THR 13 0.729 2.887 -6.669
96 3HG2 THR 13 3HG2 THR 13 2.377 3.532 -6.460
97 H ALA 14 H ALA 14 3.036 8.009 -6.397
98 HA ALA 14 HA ALA 14 1.116 10.257 -5.944
99 1HB ALA 14 1HB ALA 14 3.573 10.552 -5.620
100 2HB ALA 14 2HB ALA 14 3.871 10.221 -7.344
101 3HB ALA 14 3HB ALA 14 2.960 11.665 -6.855
102 HXT ALA 14 HXT ALA 14 -0.550 9.713 -7.094
Start of MODEL 25
1 1H ACE 1 1H ACE 1 6.007 14.758 -3.090
2 2H ACE 1 2H ACE 1 5.640 16.285 -3.936
3 3H ACE 1 3H ACE 1 5.450 16.174 -2.168
4 H ILE 2 H ILE 2 4.463 13.388 -3.783
5 HA ILE 2 HA ILE 2 1.589 13.895 -3.198
6 HB ILE 2 HB ILE 2 1.937 14.938 -5.481
7 1HG1 ILE 2 1HG1 ILE 2 -0.164 13.767 -6.536
8 2HG1 ILE 2 2HG1 ILE 2 -0.204 12.790 -5.078
9 1HG2 ILE 2 1HG2 ILE 2 2.109 12.133 -6.697
10 2HG2 ILE 2 2HG2 ILE 2 2.031 13.685 -7.544
11 3HG2 ILE 2 3HG2 ILE 2 3.462 13.283 -6.578
12 1HD1 ILE 2 1HD1 ILE 2 -0.288 15.895 -5.208
13 2HD1 ILE 2 2HD1 ILE 2 -1.681 14.829 -4.918
14 3HD1 ILE 2 3HD1 ILE 2 -0.388 14.954 -3.699
15 H TRP 3 H TRP 3 1.472 12.198 -1.812
16 HA TRP 3 HA TRP 3 1.986 9.379 -2.925
17 1HB TRP 3 1HB TRP 3 2.307 10.218 0.002
18 2HB TRP 3 2HB TRP 3 2.484 8.610 -0.649
19 HD1 TRP 3 HD1 TRP 3 4.884 7.990 -1.881
20 HE1 TRP 3 HE1 TRP 3 7.254 9.165 -1.923
21 HE3 TRP 3 HE3 TRP 3 3.258 12.510 -0.327
22 HZ2 TRP 3 HZ2 TRP 3 8.133 11.814 -1.240
23 HZ3 TRP 3 HZ3 TRP 3 4.912 14.362 0.032
24 HH2 TRP 3 HH2 TRP 3 7.307 14.005 -0.430
25 H GLY 4 H GLY 4 -0.038 9.227 -3.622
26 1HA GLY 4 1HA GLY 4 -2.519 9.596 -1.927
27 2HA GLY 4 2HA GLY 4 -2.510 8.973 -3.553
28 H GLU 5 H GLU 5 -3.098 6.866 -3.698
29 HA GLU 5 HA GLU 5 -2.377 4.916 -1.535
30 1HB GLU 5 1HB GLU 5 -5.026 6.079 -1.545
31 2HB GLU 5 2HB GLU 5 -5.243 4.453 -2.104
32 1HG GLU 5 1HG GLU 5 -3.856 5.293 0.537
33 2HG GLU 5 2HG GLU 5 -5.494 4.728 0.370
34 H SER 6 H SER 6 -1.948 2.952 -2.279
35 HA SER 6 HA SER 6 -2.974 2.012 -4.999
36 1HB SER 6 1HB SER 6 0.050 1.797 -4.475
37 2HB SER 6 2HB SER 6 -0.843 1.219 -5.872
38 HG SER 6 HG SER 6 -1.581 3.495 -6.064
39 H GLY 7 H GLY 7 -0.621 -0.206 -3.736
40 1HA GLY 7 1HA GLY 7 -2.179 -1.393 -1.570
41 2HA GLY 7 2HA GLY 7 -2.781 -2.085 -3.059
42 H LYS 8 H LYS 8 -1.225 -3.242 -4.409
43 HA LYS 8 HA LYS 8 0.053 -5.348 -2.987
44 1HB LYS 8 1HB LYS 8 0.495 -4.541 -5.914
45 2HB LYS 8 2HB LYS 8 1.104 -6.025 -5.205
46 1HG LYS 8 1HG LYS 8 -1.230 -6.765 -4.624
47 2HG LYS 8 2HG LYS 8 -1.883 -5.294 -5.350
48 1HD LYS 8 1HD LYS 8 -0.861 -5.937 -7.579
49 2HD LYS 8 2HD LYS 8 -0.213 -7.413 -6.856
50 1HE LYS 8 1HE LYS 8 -2.578 -8.186 -6.312
51 2HE LYS 8 2HE LYS 8 -3.226 -6.705 -7.035
52 1HZ LYS 8 1HZ LYS 8 -3.232 -8.566 -8.578
53 2HZ LYS 8 2HZ LYS 8 -1.612 -8.756 -8.457
54 H LEU 9 H LEU 9 2.016 -2.896 -4.785
55 HA LEU 9 HA LEU 9 4.513 -3.928 -3.527
56 1HB LEU 9 1HB LEU 9 4.440 -3.069 -5.871
57 2HB LEU 9 2HB LEU 9 4.050 -1.463 -5.288
58 HG LEU 9 HG LEU 9 6.303 -1.375 -4.093
59 1HD1 LEU 9 1HD1 LEU 9 6.883 -4.010 -5.616
60 2HD1 LEU 9 2HD1 LEU 9 8.093 -3.016 -4.767
61 3HD1 LEU 9 3HD1 LEU 9 6.810 -3.816 -3.847
62 1HD2 LEU 9 1HD2 LEU 9 5.970 -0.324 -6.334
63 2HD2 LEU 9 2HD2 LEU 9 7.617 -0.962 -6.175
64 3HD2 LEU 9 3HD2 LEU 9 6.413 -1.848 -7.144
65 H ILE 10 H ILE 10 2.967 -0.693 -3.314
66 HA ILE 10 HA ILE 10 3.502 -0.543 -0.391
67 HB ILE 10 HB ILE 10 5.687 0.234 -1.660
68 1HG1 ILE 10 1HG1 ILE 10 5.968 2.246 0.050
69 2HG1 ILE 10 2HG1 ILE 10 4.411 1.736 0.671
70 1HG2 ILE 10 1HG2 ILE 10 4.226 2.905 -2.017
71 2HG2 ILE 10 2HG2 ILE 10 5.937 2.550 -2.344
72 3HG2 ILE 10 3HG2 ILE 10 4.676 1.788 -3.332
73 1HD1 ILE 10 1HD1 ILE 10 5.424 -0.614 1.069
74 2HD1 ILE 10 2HD1 ILE 10 6.968 -0.019 0.413
75 3HD1 ILE 10 3HD1 ILE 10 6.326 0.670 1.917
76 1HN DAB 11 1HN DAB 11 1.624 0.329 0.452
77 HA DAB 11 HA DAB 11 -0.393 1.455 -1.216
78 1HB DAB 11 1HB DAB 11 -0.569 0.352 1.178
79 2HB DAB 11 2HB DAB 11 -0.461 1.981 1.798
80 1HG DAB 11 1HG DAB 11 -2.552 0.900 -0.222
81 2HG DAB 11 2HG DAB 11 -2.800 1.037 1.513
82 2HD DAB 11 2HD DAB 11 -2.212 3.721 0.653
83 H THR 12 H THR 12 1.877 3.377 0.892
84 HA THR 12 HA THR 12 0.567 5.947 0.064
85 HB THR 12 HB THR 12 2.426 7.089 1.278
86 HG1 THR 12 HG1 THR 12 3.713 5.781 2.601
87 1HG2 THR 12 1HG2 THR 12 1.720 6.479 3.564
88 2HG2 THR 12 2HG2 THR 12 0.304 6.550 2.490
89 3HG2 THR 12 3HG2 THR 12 0.975 4.972 2.979
90 H THR 13 H THR 13 0.661 5.789 -2.144
91 HA THR 13 HA THR 13 2.878 7.224 -3.416
92 HB THR 13 HB THR 13 3.930 4.946 -3.437
93 HG1 THR 13 HG1 THR 13 4.484 6.425 -4.945
94 1HG2 THR 13 1HG2 THR 13 1.848 3.509 -3.863
95 2HG2 THR 13 2HG2 THR 13 1.846 4.100 -5.540
96 3HG2 THR 13 3HG2 THR 13 3.229 3.157 -4.934
97 H ALA 14 H ALA 14 2.170 8.241 -5.253
98 HA ALA 14 HA ALA 14 -0.775 8.181 -5.808
99 1HB ALA 14 1HB ALA 14 0.420 10.353 -5.672
100 2HB ALA 14 2HB ALA 14 1.429 9.923 -7.077
101 3HB ALA 14 3HB ALA 14 -0.327 10.147 -7.266
102 HXT ALA 14 HXT ALA 14 2.037 7.856 -7.806
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