NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
27987 |
2vxe   |
cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY -3 H1 GLY -3 60.266 -2.835 25.841
2 H2 GLY -3 H2 GLY -3 60.638 -1.827 24.526
3 H3 GLY -3 H3 GLY -3 59.053 -1.882 25.129
4 HA2 GLY -3 HA3 GLY -3 60.490 -4.110 23.791
5 HA3 GLY -3 HXT GLY -3 59.193 -3.141 23.088
No H/Q in entry = 5
Start of MODEL 1
1 H ALA -2 H ALA -2 57.096 -3.161 24.356
2 HA ALA -2 HB1 ALA -2 56.533 -5.197 26.323
3 HB1 ALA -2 HB2 ALA -2 54.567 -3.952 24.390
4 HB2 ALA -2 HB3 ALA -2 55.276 -3.030 25.716
5 HB3 ALA -2 HXT ALA -2 54.285 -4.448 26.059
No H/Q in entry = 5
Start of MODEL 1
1 H MET -1 H MET -1 56.389 -5.136 22.785
2 HB2 MET -1 HG2 MET -1 55.783 -5.749 20.641
3 HB3 MET -1 HG3 MET -1 55.115 -7.335 20.257
4 HE1 MET -1 HE2 MET -1 54.384 -3.711 20.344
5 HE2 MET -1 HE3 MET -1 54.871 -4.615 18.913
6 HE3 MET -1 HXT MET -1 53.500 -3.512 18.824
7 HA MET -1 HB1 MET -1 55.260 -7.895 22.721
8 HG3 MET -1 HD3 MET -1 53.895 -5.253 22.093
9 HG2 MET -1 HD2 MET -1 53.264 -6.888 21.891
No H/Q in entry = 9
Start of MODEL 1
1 H ALA 0 H ALA 0 56.495 -9.638 22.048
2 HA ALA 0 HB1 ALA 0 59.378 -9.464 22.065
3 HB1 ALA 0 HB2 ALA 0 57.740 -11.710 20.882
4 HB2 ALA 0 HB3 ALA 0 59.253 -11.816 21.783
5 HB3 ALA 0 HXT ALA 0 57.754 -11.413 22.621
No H/Q in entry = 5
Start of MODEL 1
1 H MET 1 H MET 1 56.955 -9.539 19.481
2 HB2 MET 1 HG2 MET 1 56.436 -10.549 17.326
3 HB3 MET 1 HG3 MET 1 57.466 -10.292 15.918
4 HE1 MET 1 HE2 MET 1 60.771 -11.995 18.603
5 HE2 MET 1 HE3 MET 1 60.383 -13.545 17.861
6 HE3 MET 1 HXT MET 1 61.817 -12.647 17.346
7 HA MET 1 HB1 MET 1 59.158 -9.216 17.463
8 HG3 MET 1 HD3 MET 1 57.662 -12.581 17.039
9 HG2 MET 1 HD2 MET 1 58.433 -11.746 18.387
No H/Q in entry = 9
Start of MODEL 1
1 H SER 2 H SER 2 58.761 -7.675 15.778
2 HG SER 2 HXT SER 2 60.263 -4.675 15.835
3 HA SER 2 HB1 SER 2 56.407 -5.858 16.179
4 HB3 SER 2 HG3 SER 2 58.543 -4.994 17.153
5 HB2 SER 2 HG2 SER 2 57.945 -3.982 15.841
No H/Q in entry = 5
Start of MODEL 1
1 H GLY 3 H GLY 3 55.737 -4.749 14.212
2 HA2 GLY 3 HA3 GLY 3 55.071 -5.757 11.956
3 HA3 GLY 3 HXT GLY 3 56.803 -5.958 11.686
No H/Q in entry = 3
Start of MODEL 1
1 H GLY 4 H GLY 4 54.960 -3.229 13.080
2 HA2 GLY 4 HA3 GLY 4 54.773 -0.996 12.376
3 HA3 GLY 4 HXT GLY 4 55.190 -1.547 10.753
No H/Q in entry = 3
Start of MODEL 1
1 H LEU 5 H LEU 5 57.054 -1.732 13.793
2 HD11 LEU 5 HD12 LEU 5 59.668 1.939 14.244
3 HD12 LEU 5 HD13 LEU 5 59.233 1.850 15.951
4 HD13 LEU 5 HD21 LEU 5 60.901 2.181 15.482
5 HD21 LEU 5 HD22 LEU 5 59.934 -0.276 17.298
6 HD22 LEU 5 HD23 LEU 5 61.179 -1.290 16.568
7 HG LEU 5 HXT LEU 5 61.075 -0.075 14.498
8 HD23 LEU 5 HXT LEU 5 61.531 0.392 16.964
9 HA LEU 5 HB1 LEU 5 58.938 0.355 12.949
10 HB3 LEU 5 HG3 LEU 5 59.113 -1.649 15.217
11 HB2 LEU 5 HG2 LEU 5 58.176 -0.156 15.305
No H/Q in entry = 11
Start of MODEL 1
1 HB2 PRO 6 HG2 PRO 6 63.139 -0.595 10.033
2 HB3 PRO 6 HG3 PRO 6 62.159 -1.587 8.940
3 HG2 PRO 6 HD2 PRO 6 61.644 1.018 9.432
4 HG3 PRO 6 HD3 PRO 6 60.393 -0.160 9.008
5 HD2 PRO 6 HD3 PRO 6 61.065 1.010 11.662
6 HD3 PRO 6 HXT PRO 6 59.484 0.556 10.988
7 HA PRO 6 HB1 PRO 6 61.294 -2.799 10.674
No H/Q in entry = 7
Start of MODEL 1
1 H GLU 7 H GLU 7 63.022 -4.012 11.433
2 HB2 GLU 7 HG2 GLU 7 64.945 -5.327 11.680
3 HB3 GLU 7 HG3 GLU 7 65.719 -5.388 13.264
4 HA GLU 7 HB1 GLU 7 64.277 -3.431 13.950
5 HG3 GLU 7 HD3 GLU 7 62.752 -5.696 12.714
6 HG2 GLU 7 HD2 GLU 7 63.486 -5.679 14.318
No H/Q in entry = 6
Start of MODEL 1
1 H LEU 8 H LEU 8 66.096 -2.241 14.400
2 HD11 LEU 8 HD12 LEU 8 67.490 -0.174 16.993
3 HD12 LEU 8 HD13 LEU 8 67.978 1.424 16.426
4 HD13 LEU 8 HD21 LEU 8 66.294 1.114 16.850
5 HD21 LEU 8 HD22 LEU 8 67.851 1.908 13.970
6 HD22 LEU 8 HD23 LEU 8 66.465 1.236 13.111
7 HG LEU 8 HXT LEU 8 65.954 -0.251 14.932
8 HD23 LEU 8 HXT LEU 8 66.215 2.249 14.532
9 HA LEU 8 HB1 LEU 8 67.339 -0.539 12.454
10 HB3 LEU 8 HG3 LEU 8 68.923 -0.109 14.354
11 HB2 LEU 8 HG2 LEU 8 68.176 -1.449 15.225
No H/Q in entry = 11
Start of MODEL 1
1 H GLY 9 H GLY 9 69.291 -0.750 11.328
2 HA2 GLY 9 HA3 GLY 9 71.229 -2.840 11.932
3 HA3 GLY 9 HXT GLY 9 71.324 -1.668 10.638
No H/Q in entry = 3
Start of MODEL 1
1 H SER 10 H SER 10 68.323 -3.059 10.284
2 HG SER 10 HXT SER 10 66.705 -5.858 10.210
3 HA SER 10 HB1 SER 10 68.872 -5.600 9.083
4 HB3 SER 10 HG3 SER 10 66.628 -5.227 8.055
5 HB2 SER 10 HG2 SER 10 66.695 -3.547 8.581
No H/Q in entry = 5
Start of MODEL 1
1 H LYS 11 H LYS 11 69.369 -6.157 6.935
2 HB2 LYS 11 HG2 LYS 11 71.176 -5.976 3.839
3 HB3 LYS 11 HG3 LYS 11 71.487 -6.344 5.532
4 HG2 LYS 11 HG3 LYS 11 69.255 -7.552 5.580
5 HG3 LYS 11 HD2 LYS 11 69.185 -7.340 3.831
6 HD2 LYS 11 HD3 LYS 11 71.496 -8.439 3.754
7 HE2 LYS 11 HE3 LYS 11 68.917 -9.812 4.483
8 HE3 LYS 11 HZ1 LYS 11 69.811 -9.845 2.950
9 HZ1 LYS 11 HZ2 LYS 11 70.747 -11.025 5.514
10 HZ2 LYS 11 HZ3 LYS 11 70.125 -11.906 4.201
11 HD3 LYS 11 HXT LYS 11 71.215 -8.904 5.432
12 HZ3 LYS 11 HXT LYS 11 71.585 -11.061 4.037
13 HA LYS 11 HB1 LYS 11 70.499 -4.069 5.208
No H/Q in entry = 13
Start of MODEL 1
1 H ILE 12 H ILE 12 69.352 -2.977 3.680
2 HB ILE 12 HG12 ILE 12 67.557 -1.249 3.224
3 HG12 ILE 12 HG13 ILE 12 65.528 -2.951 4.707
4 HG13 ILE 12 HG21 ILE 12 67.178 -2.693 5.273
5 HG21 ILE 12 HG22 ILE 12 65.916 -1.575 1.361
6 HG22 ILE 12 HG23 ILE 12 64.852 -2.418 2.488
7 HD11 ILE 12 HD12 ILE 12 66.762 -0.230 5.242
8 HD12 ILE 12 HD13 ILE 12 65.085 -0.551 4.799
9 HG23 ILE 12 HXT ILE 12 65.223 -0.711 2.734
10 HD13 ILE 12 HXT ILE 12 65.702 -1.086 6.362
11 HA ILE 12 HB1 ILE 12 66.744 -4.141 2.747
No H/Q in entry = 11
Start of MODEL 1
1 H SER 13 H SER 13 66.368 -4.106 0.545
2 HG SER 13 HXT SER 13 68.482 -4.863 -3.276
3 HA SER 13 HB1 SER 13 68.530 -3.089 -1.241
4 HB3 SER 13 HG3 SER 13 66.132 -4.883 -1.761
5 HB2 SER 13 HG2 SER 13 67.748 -5.465 -1.369
No H/Q in entry = 5
Start of MODEL 1
1 H LEU 14 H LEU 14 68.049 -1.469 -2.763
2 HD11 LEU 14 HD12 LEU 14 65.330 1.390 -0.056
3 HD12 LEU 14 HD13 LEU 14 64.478 2.806 -0.671
4 HD13 LEU 14 HD21 LEU 14 64.309 1.253 -1.488
5 HD21 LEU 14 HD22 LEU 14 67.604 2.991 -0.411
6 HD22 LEU 14 HD23 LEU 14 67.595 3.848 -1.952
7 HG LEU 14 HXT LEU 14 65.844 2.526 -2.814
8 HD23 LEU 14 HXT LEU 14 66.291 4.106 -0.792
9 HA LEU 14 HB1 LEU 14 65.369 -0.158 -2.503
10 HB3 LEU 14 HG3 LEU 14 68.016 1.298 -2.448
11 HB2 LEU 14 HG2 LEU 14 67.322 0.626 -0.973
No H/Q in entry = 11
Start of MODEL 1
1 H ILE 15 H ILE 15 64.570 0.374 -4.509
2 HB ILE 15 HG12 ILE 15 63.442 -0.020 -6.636
3 HG12 ILE 15 HG13 ILE 15 65.566 -2.085 -7.282
4 HG13 ILE 15 HG21 ILE 15 64.944 -1.838 -5.650
5 HG21 ILE 15 HG22 ILE 15 64.185 0.902 -8.820
6 HG22 ILE 15 HG23 ILE 15 65.325 -0.434 -8.982
7 HD11 ILE 15 HD12 ILE 15 62.641 -2.261 -6.491
8 HD12 ILE 15 HD13 ILE 15 63.307 -2.585 -8.091
9 HG23 ILE 15 HXT ILE 15 63.590 -0.750 -8.979
10 HD13 ILE 15 HXT ILE 15 63.703 -3.646 -6.740
11 HA ILE 15 HB1 ILE 15 66.458 0.356 -6.838
No H/Q in entry = 11
Start of MODEL 1
1 H SER 16 H SER 16 66.965 2.367 -7.574
2 HG SER 16 HXT SER 16 68.556 5.253 -6.037
3 HA SER 16 HB1 SER 16 65.290 4.709 -6.876
4 HB3 SER 16 HG3 SER 16 67.284 5.928 -7.695
5 HB2 SER 16 HG2 SER 16 67.988 4.402 -8.220
No H/Q in entry = 5
Start of MODEL 1
1 H LYS 17 H LYS 17 64.769 6.317 -8.557
2 HB2 LYS 17 HG2 LYS 17 63.143 7.554 -9.498
3 HB3 LYS 17 HG3 LYS 17 64.472 7.987 -10.574
4 HG2 LYS 17 HG3 LYS 17 63.040 7.438 -12.530
5 HG3 LYS 17 HD2 LYS 17 61.706 7.085 -11.431
6 HD2 LYS 17 HD3 LYS 17 61.886 9.417 -10.541
7 HE2 LYS 17 HE3 LYS 17 61.491 9.249 -13.554
8 HE3 LYS 17 HZ1 LYS 17 60.259 8.853 -12.340
9 HZ1 LYS 17 HZ2 LYS 17 61.683 11.455 -12.537
10 HZ2 LYS 17 HZ3 LYS 17 60.102 11.175 -13.081
11 HD3 LYS 17 HXT LYS 17 63.108 9.752 -11.769
12 HZ3 LYS 17 HXT LYS 17 60.461 11.062 -11.424
13 HA LYS 17 HB1 LYS 17 63.128 5.277 -10.585
No H/Q in entry = 13
Start of MODEL 1
1 H ALA 18 H ALA 18 66.578 5.609 -10.745
2 HA ALA 18 HB1 ALA 18 66.664 5.822 -13.690
3 HB1 ALA 18 HB2 ALA 18 69.185 5.608 -13.085
4 HB2 ALA 18 HB3 ALA 18 68.335 7.051 -12.531
5 HB3 ALA 18 HXT ALA 18 68.647 5.723 -11.407
No H/Q in entry = 5
Start of MODEL 1
1 H ASP 19 H ASP 19 65.567 3.370 -12.136
2 HA ASP 19 HB1 ASP 19 65.728 1.027 -12.136
3 HB3 ASP 19 HG3 ASP 19 66.683 0.133 -14.317
4 HB2 ASP 19 HG2 ASP 19 67.090 1.794 -14.738
No H/Q in entry = 4
Start of MODEL 1
1 H ILE 20 H ILE 20 67.797 2.570 -10.758
2 HB ILE 20 HG12 ILE 20 69.751 3.363 -9.454
3 HG12 ILE 20 HG13 ILE 20 71.141 3.056 -12.137
4 HG13 ILE 20 HG21 ILE 20 69.519 3.704 -11.928
5 HG21 ILE 20 HG22 ILE 20 72.254 1.825 -10.215
6 HG22 ILE 20 HG23 ILE 20 72.275 3.438 -9.502
7 HD11 ILE 20 HD12 ILE 20 70.558 5.404 -10.319
8 HD12 ILE 20 HD13 ILE 20 72.122 4.880 -10.944
9 HG23 ILE 20 HXT ILE 20 71.617 2.079 -8.591
10 HD13 ILE 20 HXT ILE 20 70.939 5.613 -12.028
11 HA ILE 20 HB1 ILE 20 70.224 0.849 -11.103
No H/Q in entry = 11
Start of MODEL 1
1 H ARG 21 H ARG 21 70.879 -0.516 -9.408
2 HB2 ARG 21 HG2 ARG 21 69.458 -2.719 -8.796
3 HB3 ARG 21 HG3 ARG 21 71.106 -2.704 -8.168
4 HG2 ARG 21 HD2 ARG 21 70.171 -3.088 -5.870
5 HG3 ARG 21 HD3 ARG 21 68.576 -3.271 -6.599
6 HD2 ARG 21 HD3 ARG 21 70.970 -4.952 -7.414
7 HE ARG 21 HH12 ARG 21 68.531 -4.526 -8.678
8 HH11 ARG 21 HH21 ARG 21 70.027 -7.281 -7.122
9 HH12 ARG 21 HH22 ARG 21 69.200 -8.421 -8.124
10 HD3 ARG 21 HXT ARG 21 69.770 -5.468 -6.214
11 HH21 ARG 21 HXT ARG 21 67.485 -6.037 -9.949
12 HH22 ARG 21 H1 ARG 21 67.775 -7.726 -9.707
13 HA ARG 21 HB1 ARG 21 68.915 -0.849 -7.176
No H/Q in entry = 13
Start of MODEL 1
1 H TYR 22 H TYR 22 69.551 0.080 -5.302
2 HD1 TYR 22 HD2 TYR 22 73.555 2.928 -4.183
3 HD2 TYR 22 HE1 TYR 22 69.642 2.623 -6.002
4 HE1 TYR 22 HE2 TYR 22 74.235 4.580 -5.926
5 HE2 TYR 22 HH TYR 22 70.323 4.278 -7.752
6 HH TYR 22 HXT TYR 22 73.242 4.993 -8.568
7 HA TYR 22 HB1 TYR 22 72.458 0.089 -4.565
8 HB3 TYR 22 HG3 TYR 22 71.666 1.906 -2.995
9 HB2 TYR 22 HG2 TYR 22 70.086 1.778 -3.735
No H/Q in entry = 9
Start of MODEL 1
1 H GLU 23 H GLU 23 72.981 -0.750 -2.474
2 HB2 GLU 23 HG2 GLU 23 71.687 -3.542 -2.342
3 HB3 GLU 23 HG3 GLU 23 73.238 -3.325 -1.531
4 HA GLU 23 HB1 GLU 23 70.723 -1.789 -0.804
5 HG3 GLU 23 HD3 GLU 23 70.643 -4.216 -0.237
6 HG2 GLU 23 HD2 GLU 23 72.140 -3.894 0.638
No H/Q in entry = 6
Start of MODEL 1
1 H GLY 24 H GLY 24 71.149 -1.600 1.424
2 HA2 GLY 24 HA3 GLY 24 72.909 0.385 2.311
3 HA3 GLY 24 HXT GLY 24 73.813 -1.119 2.476
No H/Q in entry = 3
Start of MODEL 1
1 H ARG 25 H ARG 25 73.624 -0.226 4.815
2 HB2 ARG 25 HG2 ARG 25 73.877 -0.065 7.088
3 HB3 ARG 25 HG3 ARG 25 72.874 -0.994 8.201
4 HG2 ARG 25 HD2 ARG 25 73.459 -3.066 6.939
5 HG3 ARG 25 HD3 ARG 25 74.547 -2.110 5.932
6 HD2 ARG 25 HD3 ARG 25 75.762 -1.407 8.032
7 HE ARG 25 HH12 ARG 25 76.014 -3.744 6.561
8 HH11 ARG 25 HH21 ARG 25 76.484 -2.946 9.937
9 HH12 ARG 25 HH22 ARG 25 77.684 -4.169 10.159
10 HD3 ARG 25 HXT ARG 25 74.765 -2.571 8.925
11 HH21 ARG 25 HXT ARG 25 77.571 -5.310 6.897
12 HH22 ARG 25 H1 ARG 25 78.295 -5.493 8.460
13 HA ARG 25 HB1 ARG 25 71.556 -1.806 6.205
No H/Q in entry = 13
Start of MODEL 1
1 H LEU 26 H LEU 26 69.724 -0.952 7.159
2 HD11 LEU 26 HD12 LEU 26 66.859 1.897 6.246
3 HD12 LEU 26 HD13 LEU 26 65.328 1.137 6.679
4 HD13 LEU 26 HD21 LEU 26 65.647 2.808 7.146
5 HD21 LEU 26 HD22 LEU 26 66.082 0.093 9.945
6 HD22 LEU 26 HD23 LEU 26 64.997 1.446 9.621
7 HG LEU 26 HXT LEU 26 67.115 2.193 8.851
8 HD23 LEU 26 HXT LEU 26 65.009 0.048 8.546
9 HA LEU 26 HB1 LEU 26 68.824 1.742 6.766
10 HB3 LEU 26 HG3 LEU 26 68.026 -0.226 8.925
11 HB2 LEU 26 HG2 LEU 26 67.491 -0.338 7.249
No H/Q in entry = 11
Start of MODEL 1
1 H TYR 27 H TYR 27 69.750 3.535 7.763
2 HD1 TYR 27 HD2 TYR 27 73.202 3.723 10.967
3 HD2 TYR 27 HE1 TYR 27 71.831 7.521 9.418
4 HE1 TYR 27 HE2 TYR 27 74.646 4.917 12.618
5 HE2 TYR 27 HH TYR 27 73.275 8.713 11.069
6 HH TYR 27 HXT TYR 27 74.695 7.173 13.733
7 HA TYR 27 HB1 TYR 27 71.036 3.224 10.435
8 HB3 TYR 27 HG3 TYR 27 71.007 5.548 8.498
9 HB2 TYR 27 HG2 TYR 27 72.176 4.241 8.430
No H/Q in entry = 9
Start of MODEL 1
1 H THR 28 H THR 28 68.734 5.402 8.748
2 HG1 THR 28 HG21 THR 28 68.641 8.828 9.248
3 HG21 THR 28 HG22 THR 28 68.731 6.722 12.611
4 HG22 THR 28 HG23 THR 28 70.138 7.002 11.587
5 HG23 THR 28 HXT THR 28 69.350 8.358 12.392
6 HA THR 28 HB1 THR 28 67.219 5.794 11.262
7 HB THR 28 HG12 THR 28 67.527 8.332 10.934
No H/Q in entry = 7
Start of MODEL 1
1 H VAL 29 H VAL 29 65.163 6.883 10.869
2 HB VAL 29 HG12 VAL 29 63.986 4.915 8.655
3 HG11 VAL 29 HG12 VAL 29 63.630 5.440 11.107
4 HG12 VAL 29 HG13 VAL 29 62.021 6.020 10.679
5 HG13 VAL 29 HG21 VAL 29 62.448 4.330 10.412
6 HG21 VAL 29 HG22 VAL 29 61.704 6.782 8.078
7 HG22 VAL 29 HG23 VAL 29 62.452 5.577 7.031
8 HG23 VAL 29 HXT VAL 29 61.372 5.067 8.327
9 HA VAL 29 HB1 VAL 29 64.408 7.283 8.014
No H/Q in entry = 9
Start of MODEL 1
1 H ASP 30 H ASP 30 62.728 8.807 7.746
2 HA ASP 30 HB1 ASP 30 61.589 10.018 10.244
3 HB3 ASP 30 HG3 ASP 30 62.243 11.519 7.706
4 HB2 ASP 30 HG2 ASP 30 63.472 11.240 8.940
No H/Q in entry = 4
Start of MODEL 1
1 HB2 PRO 31 HG2 PRO 31 56.202 8.871 9.661
2 HB3 PRO 31 HG3 PRO 31 57.177 7.397 9.508
3 HG2 PRO 31 HD2 PRO 31 57.513 9.703 11.345
4 HG3 PRO 31 HD3 PRO 31 57.808 7.981 11.624
5 HD2 PRO 31 HD3 PRO 31 59.803 9.755 11.202
6 HD3 PRO 31 HXT PRO 31 59.908 8.053 10.698
7 HA PRO 31 HB1 PRO 31 58.140 8.441 7.709
No H/Q in entry = 7
Start of MODEL 1
1 H GLN 32 H GLN 32 58.031 11.428 9.662
2 HB2 GLN 32 HG2 GLN 32 56.190 12.802 10.641
3 HB3 GLN 32 HG3 GLN 32 57.536 13.841 10.173
4 HE21 GLN 32 HE22 GLN 32 53.502 15.788 10.712
5 HE22 GLN 32 HXT GLN 32 52.326 14.598 10.423
6 HA GLN 32 HB1 GLN 32 55.713 12.460 8.173
7 HG3 GLN 32 HD3 GLN 32 55.761 15.106 8.746
8 HG2 GLN 32 HD2 GLN 32 55.783 15.374 10.489
No H/Q in entry = 8
Start of MODEL 1
1 H GLU 33 H GLU 33 59.207 12.805 8.052
2 HB2 GLU 33 HG2 GLU 33 61.293 13.249 7.185
3 HB3 GLU 33 HG3 GLU 33 61.567 14.598 6.084
4 HA GLU 33 HB1 GLU 33 59.083 15.025 6.113
5 HG3 GLU 33 HD3 GLU 33 61.889 15.168 8.525
6 HG2 GLU 33 HD2 GLU 33 60.166 14.879 8.755
No H/Q in entry = 6
Start of MODEL 1
1 H CYS 34 H CYS 34 58.345 11.774 5.818
2 HG CYS 34 HXT CYS 34 55.843 12.256 2.541
3 HA CYS 34 HB1 CYS 34 58.440 10.184 4.078
4 HB3 CYS 34 HG3 CYS 34 58.320 11.412 1.790
5 HB2 CYS 34 HG2 CYS 34 58.339 12.891 2.749
No H/Q in entry = 5
Start of MODEL 1
1 H THR 35 H THR 35 61.027 10.740 5.234
2 HG1 THR 35 HG21 THR 35 63.688 12.450 6.094
3 HG21 THR 35 HG22 THR 35 61.997 12.711 2.664
4 HG22 THR 35 HG23 THR 35 62.571 13.993 3.730
5 HG23 THR 35 HXT THR 35 63.652 13.302 2.521
6 HA THR 35 HB1 THR 35 62.809 10.484 2.833
7 HB THR 35 HG12 THR 35 64.396 11.976 4.197
No H/Q in entry = 7
Start of MODEL 1
1 H ILE 36 H ILE 36 64.772 9.300 3.267
2 HB ILE 36 HG12 ILE 36 65.319 5.838 4.849
3 HG12 ILE 36 HG13 ILE 36 64.264 7.193 2.349
4 HG13 ILE 36 HG21 ILE 36 65.979 6.876 2.606
5 HG21 ILE 36 HG22 ILE 36 63.048 6.922 5.627
6 HG22 ILE 36 HG23 ILE 36 62.686 6.926 3.901
7 HD11 ILE 36 HD12 ILE 36 63.954 4.667 2.907
8 HD12 ILE 36 HD13 ILE 36 64.579 5.101 1.316
9 HG23 ILE 36 HXT ILE 36 63.035 5.407 4.725
10 HD13 ILE 36 HXT ILE 36 65.682 4.543 2.573
11 HA ILE 36 HB1 ILE 36 65.038 8.057 5.965
No H/Q in entry = 11
Start of MODEL 1
1 H ALA 37 H ALA 37 67.220 7.119 6.282
2 HA ALA 37 HB1 ALA 37 69.265 7.986 4.277
3 HB1 ALA 37 HB2 ALA 37 68.801 9.414 6.496
4 HB2 ALA 37 HB3 ALA 37 70.437 9.184 5.879
5 HB3 ALA 37 HXT ALA 37 69.847 8.184 7.209
No H/Q in entry = 5
Start of MODEL 1
1 H LEU 38 H LEU 38 70.621 6.329 3.793
2 HD11 LEU 38 HD12 LEU 38 69.479 2.120 1.649
3 HD12 LEU 38 HD13 LEU 38 67.917 2.937 1.678
4 HD13 LEU 38 HD21 LEU 38 69.348 3.791 1.100
5 HD21 LEU 38 HD22 LEU 38 69.469 1.737 4.362
6 HD22 LEU 38 HD23 LEU 38 68.562 3.005 5.186
7 HG LEU 38 HXT LEU 38 68.768 4.501 3.392
8 HD23 LEU 38 HXT LEU 38 67.814 2.101 3.870
9 HA LEU 38 HB1 LEU 38 70.600 3.908 5.561
10 HB3 LEU 38 HG3 LEU 38 71.248 2.760 3.430
11 HB2 LEU 38 HG2 LEU 38 71.171 4.316 2.605
No H/Q in entry = 11
Start of MODEL 1
1 H SER 39 H SER 39 72.628 2.973 6.124
2 HG SER 39 HXT SER 39 74.990 2.074 8.163
3 HA SER 39 HB1 SER 39 75.017 4.715 5.577
4 HB3 SER 39 HG3 SER 39 74.106 4.724 7.907
5 HB2 SER 39 HG2 SER 39 75.734 4.055 7.837
No H/Q in entry = 5
Start of MODEL 1
1 H SER 40 H SER 40 77.057 3.530 5.353
2 HG SER 40 HXT SER 40 75.975 0.284 6.572
3 HA SER 40 HB1 SER 40 78.235 1.953 4.048
4 HB3 SER 40 HG3 SER 40 77.987 1.039 6.425
5 HB2 SER 40 HG2 SER 40 78.354 -0.151 5.185
No H/Q in entry = 5
Start of MODEL 1
1 H VAL 41 H VAL 41 77.082 2.401 2.072
2 HB VAL 41 HG12 VAL 41 73.996 2.228 1.875
3 HG11 VAL 41 HG12 VAL 41 75.851 3.827 1.305
4 HG12 VAL 41 HG13 VAL 41 75.461 3.582 -0.401
5 HG13 VAL 41 HG21 VAL 41 74.272 4.309 0.680
6 HG21 VAL 41 HG22 VAL 41 74.028 1.171 -0.910
7 HG22 VAL 41 HG23 VAL 41 72.721 1.200 0.270
8 HG23 VAL 41 HXT VAL 41 73.113 2.653 -0.646
9 HA VAL 41 HB1 VAL 41 75.271 0.184 1.214
No H/Q in entry = 9
Start of MODEL 1
1 H ARG 42 H ARG 42 75.465 -0.350 -1.018
2 HB2 ARG 42 HG2 ARG 42 78.462 -1.130 -3.243
3 HB3 ARG 42 HG3 ARG 42 78.534 -0.907 -1.497
4 HG2 ARG 42 HD2 ARG 42 76.348 -2.156 -1.322
5 HG3 ARG 42 HD3 ARG 42 76.479 -2.511 -3.045
6 HD2 ARG 42 HD3 ARG 42 78.706 -3.587 -2.610
7 HE ARG 42 HH12 ARG 42 76.175 -4.639 -2.194
8 HH11 ARG 42 HH21 ARG 42 79.296 -5.175 -0.702
9 HH12 ARG 42 HH22 ARG 42 78.927 -6.813 -0.290
10 HD3 ARG 42 HXT ARG 42 78.434 -3.345 -0.874
11 HH21 ARG 42 HXT ARG 42 75.745 -6.760 -1.642
12 HH22 ARG 42 H1 ARG 42 76.940 -7.703 -0.816
13 HA ARG 42 HB1 ARG 42 77.569 1.092 -2.581
No H/Q in entry = 13
Start of MODEL 1
1 H SER 43 H SER 43 77.261 0.937 -4.894
2 HG SER 43 HXT SER 43 77.379 2.391 -6.553
3 HA SER 43 HB1 SER 43 74.480 0.169 -5.697
4 HB3 SER 43 HG3 SER 43 75.322 2.536 -5.939
5 HB2 SER 43 HG2 SER 43 74.805 1.815 -7.461
No H/Q in entry = 5
Start of MODEL 1
1 H PHE 44 H PHE 44 74.188 -1.320 -7.378
2 HD1 PHE 44 HD2 PHE 44 75.835 -5.690 -7.175
3 HD2 PHE 44 HE1 PHE 44 72.490 -3.038 -6.487
4 HE1 PHE 44 HE2 PHE 44 75.433 -6.771 -4.962
5 HE2 PHE 44 HZ PHE 44 72.089 -4.119 -4.273
6 HZ PHE 44 HXT PHE 44 73.560 -5.986 -3.511
7 HA PHE 44 HB1 PHE 44 76.467 -3.118 -7.854
8 HB3 PHE 44 HG3 PHE 44 74.629 -4.405 -9.054
9 HB2 PHE 44 HG2 PHE 44 73.541 -3.103 -8.608
No H/Q in entry = 9
Start of MODEL 1
1 H GLY 45 H GLY 45 74.397 -0.974 -9.835
2 HA2 GLY 45 HA3 GLY 45 75.718 -1.642 -12.325
3 HA3 GLY 45 HXT GLY 45 76.372 -0.173 -11.612
No H/Q in entry = 3
Start of MODEL 1
1 H THR 46 H THR 46 75.457 0.681 -13.721
2 HG1 THR 46 HG21 THR 46 75.437 3.381 -15.177
3 HG21 THR 46 HG22 THR 46 73.332 2.845 -12.064
4 HG22 THR 46 HG23 THR 46 74.317 4.220 -12.569
5 HG23 THR 46 HXT THR 46 72.613 4.145 -13.014
6 HA THR 46 HB1 THR 46 72.525 1.290 -13.494
7 HB THR 46 HG12 THR 46 73.371 3.306 -14.977
No H/Q in entry = 7
Start of MODEL 1
1 H GLU 47 H GLU 47 74.379 -0.804 -15.099
2 HB2 GLU 47 HG2 GLU 47 75.510 -2.145 -16.498
3 HB3 GLU 47 HG3 GLU 47 73.912 -2.860 -16.709
4 HA GLU 47 HB1 GLU 47 74.682 -0.137 -17.775
5 HG3 GLU 47 HD3 GLU 47 75.814 -2.028 -18.918
6 HG2 GLU 47 HD2 GLU 47 74.172 -2.617 -19.181
No H/Q in entry = 6
Start of MODEL 1
1 H ASP 48 H ASP 48 71.670 -1.080 -16.200
2 HA ASP 48 HB1 ASP 48 70.221 -1.957 -18.526
3 HB3 ASP 48 HG3 ASP 48 68.243 -1.428 -17.050
4 HB2 ASP 48 HG2 ASP 48 69.361 -0.681 -15.909
No H/Q in entry = 4
Start of MODEL 1
1 H ARG 49 H ARG 49 69.928 1.190 -16.814
2 HB2 ARG 49 HG2 ARG 49 69.156 3.260 -16.394
3 HB3 ARG 49 HG3 ARG 49 68.612 4.387 -17.638
4 HG2 ARG 49 HD2 ARG 49 66.886 2.606 -18.285
5 HG3 ARG 49 HD3 ARG 49 67.302 1.806 -16.768
6 HD2 ARG 49 HD3 ARG 49 65.384 3.255 -16.355
7 HE ARG 49 HH12 ARG 49 66.704 5.727 -17.192
8 HH11 ARG 49 HH21 ARG 49 64.827 2.983 -18.283
9 HH12 ARG 49 HH22 ARG 49 64.189 3.834 -19.645
10 HD3 ARG 49 HXT ARG 49 66.798 4.001 -15.587
11 HH21 ARG 49 HXT ARG 49 65.855 6.788 -18.969
12 HH22 ARG 49 H1 ARG 49 64.764 5.964 -20.032
13 HA ARG 49 HB1 ARG 49 68.904 2.456 -19.298
No H/Q in entry = 13
Start of MODEL 1
1 H ASP 50 H ASP 50 71.929 1.730 -18.513
2 HA ASP 50 HB1 ASP 50 73.312 4.141 -17.901
3 HB3 ASP 50 HG3 ASP 50 74.181 1.828 -17.656
4 HB2 ASP 50 HG2 ASP 50 75.295 2.846 -18.559
No H/Q in entry = 4
Start of MODEL 1
1 H THR 51 H THR 51 75.012 5.111 -19.417
2 HG1 THR 51 HG21 THR 51 75.877 7.734 -19.487
3 HG21 THR 51 HG22 THR 51 74.950 7.737 -22.919
4 HG22 THR 51 HG23 THR 51 76.227 8.622 -22.083
5 HG23 THR 51 HXT THR 51 76.625 7.200 -23.045
6 HA THR 51 HB1 THR 51 73.835 6.011 -21.943
7 HB THR 51 HG12 THR 51 76.651 6.349 -20.866
No H/Q in entry = 7
Start of MODEL 1
1 H GLN 52 H GLN 52 75.090 5.769 -24.018
2 HB2 GLN 52 HG2 GLN 52 75.894 3.684 -26.809
3 HB3 GLN 52 HG3 GLN 52 74.478 4.417 -26.062
4 HE21 GLN 52 HE22 GLN 52 76.722 5.945 -28.940
5 HE22 GLN 52 HXT GLN 52 75.323 6.670 -29.574
6 HA GLN 52 HB1 GLN 52 75.720 2.953 -24.476
7 HG3 GLN 52 HD3 GLN 52 77.132 5.712 -26.707
8 HG2 GLN 52 HD2 GLN 52 75.990 6.449 -25.586
No H/Q in entry = 8
Start of MODEL 1
1 H PHE 53 H PHE 53 77.628 5.396 -23.198
2 HD1 PHE 53 HD2 PHE 53 78.360 6.510 -25.315
3 HD2 PHE 53 HE1 PHE 53 82.285 7.604 -23.863
4 HE1 PHE 53 HE2 PHE 53 78.746 7.863 -27.375
5 HE2 PHE 53 HZ PHE 53 82.669 8.957 -25.925
6 HZ PHE 53 HXT PHE 53 80.900 9.086 -27.681
7 HA PHE 53 HB1 PHE 53 80.152 4.333 -24.357
8 HB3 PHE 53 HG3 PHE 53 80.979 6.130 -22.617
9 HB2 PHE 53 HG2 PHE 53 79.297 6.624 -22.614
No H/Q in entry = 9
Start of MODEL 1
1 H GLN 54 H GLN 54 81.780 3.424 -22.903
2 HB2 GLN 54 HG2 GLN 54 83.490 2.431 -21.657
3 HB3 GLN 54 HG3 GLN 54 83.118 1.007 -20.685
4 HE21 GLN 54 HE22 GLN 54 83.245 -1.478 -23.835
5 HE22 GLN 54 HXT GLN 54 84.933 -1.335 -23.946
6 HA GLN 54 HB1 GLN 54 80.668 1.471 -21.087
7 HG3 GLN 54 HD3 GLN 54 82.263 1.424 -23.565
8 HG2 GLN 54 HD2 GLN 54 81.941 -0.009 -22.588
No H/Q in entry = 8
Start of MODEL 1
1 H ILE 55 H ILE 55 80.448 1.538 -18.872
2 HB ILE 55 HG12 ILE 55 79.091 2.201 -16.851
3 HG12 ILE 55 HG13 ILE 55 79.190 5.089 -17.777
4 HG13 ILE 55 HG21 ILE 55 78.989 3.735 -18.889
5 HG21 ILE 55 HG22 ILE 55 80.323 4.584 -15.466
6 HG22 ILE 55 HG23 ILE 55 78.600 4.240 -15.318
7 HD11 ILE 55 HD12 ILE 55 77.044 3.031 -17.295
8 HD12 ILE 55 HD13 ILE 55 77.115 4.704 -16.742
9 HG23 ILE 55 HXT ILE 55 79.787 3.060 -14.762
10 HD13 ILE 55 HXT ILE 55 76.771 4.349 -18.435
11 HA ILE 55 HB1 ILE 55 81.536 3.932 -17.416
No H/Q in entry = 11
Start of MODEL 1
1 H ALA 56 H ALA 56 82.839 3.503 -15.642
2 HA ALA 56 HB1 ALA 56 83.718 0.725 -15.226
3 HB1 ALA 56 HB2 ALA 56 85.234 2.717 -15.378
4 HB2 ALA 56 HB3 ALA 56 85.450 1.804 -13.885
5 HB3 ALA 56 HXT ALA 56 84.538 3.313 -13.871
No H/Q in entry = 5
Start of MODEL 1
1 HB2 PRO 57 HG2 PRO 57 83.017 -1.834 -10.702
2 HB3 PRO 57 HG3 PRO 57 81.345 -2.141 -11.200
3 HG2 PRO 57 HD2 PRO 57 83.471 -2.960 -12.634
4 HG3 PRO 57 HD3 PRO 57 81.918 -2.533 -13.366
5 HD2 PRO 57 HD3 PRO 57 84.462 -0.996 -13.304
6 HD3 PRO 57 HXT PRO 57 83.208 -1.077 -14.563
7 HA PRO 57 HB1 PRO 57 80.992 0.056 -11.732
No H/Q in entry = 7
Start of MODEL 1
1 H GLN 58 H GLN 58 80.929 0.731 -9.533
2 HB2 GLN 58 HG2 GLN 58 80.379 2.100 -7.762
3 HB3 GLN 58 HG3 GLN 58 81.556 3.151 -6.975
4 HE21 GLN 58 HE22 GLN 58 81.264 6.099 -7.972
5 HE22 GLN 58 HXT GLN 58 79.624 6.487 -7.765
6 HA GLN 58 HB1 GLN 58 83.289 2.287 -8.603
7 HG3 GLN 58 HD3 GLN 58 80.775 3.241 -9.904
8 HG2 GLN 58 HD2 GLN 58 81.996 4.264 -9.148
No H/Q in entry = 8
Start of MODEL 1
1 H SER 59 H SER 59 84.690 1.171 -7.307
2 HG SER 59 HXT SER 59 86.681 -0.751 -7.818
3 HA SER 59 HB1 SER 59 83.819 -1.203 -5.789
4 HB3 SER 59 HG3 SER 59 86.237 -1.359 -5.309
5 HB2 SER 59 HG2 SER 59 86.480 0.243 -5.999
No H/Q in entry = 5
Start of MODEL 1
1 H GLN 60 H GLN 60 84.756 2.150 -5.150
2 HB2 GLN 60 HG2 GLN 60 84.198 4.210 -4.137
3 HB3 GLN 60 HG3 GLN 60 84.690 4.453 -2.461
4 HE21 GLN 60 HE22 GLN 60 88.505 5.205 -3.393
5 HE22 GLN 60 HXT GLN 60 88.102 6.720 -4.045
6 HA GLN 60 HB1 GLN 60 85.165 1.978 -2.322
7 HG3 GLN 60 HD3 GLN 60 86.440 3.285 -4.646
8 HG2 GLN 60 HD2 GLN 60 86.925 3.558 -2.972
No H/Q in entry = 8
Start of MODEL 1
1 H ILE 61 H ILE 61 83.732 2.107 -0.591
2 HB ILE 61 HG12 ILE 61 82.435 1.510 1.379
3 HG12 ILE 61 HG13 ILE 61 83.210 -0.107 -0.313
4 HG13 ILE 61 HG21 ILE 61 82.324 -0.933 0.965
5 HG21 ILE 61 HG22 ILE 61 79.610 0.735 0.618
6 HG22 ILE 61 HG23 ILE 61 80.435 0.073 2.030
7 HD11 ILE 61 HD12 ILE 61 80.292 -0.929 -0.469
8 HD12 ILE 61 HD13 ILE 61 81.220 -0.160 -1.756
9 HG23 ILE 61 HXT ILE 61 80.126 1.806 1.923
10 HD13 ILE 61 HXT ILE 61 81.630 -1.792 -1.227
11 HA ILE 61 HB1 ILE 61 80.836 1.766 -1.195
No H/Q in entry = 11
Start of MODEL 1
1 H TYR 62 H TYR 62 79.262 3.200 -0.319
2 HD1 TYR 62 HD2 TYR 62 79.619 7.772 -1.166
3 HD2 TYR 62 HE1 TYR 62 77.742 4.147 -2.592
4 HE1 TYR 62 HE2 TYR 62 80.214 8.387 -3.511
5 HE2 TYR 62 HH TYR 62 78.338 4.762 -4.937
6 HH TYR 62 HXT TYR 62 80.575 7.193 -5.697
7 HA TYR 62 HB1 TYR 62 80.270 5.893 0.435
8 HB3 TYR 62 HG3 TYR 62 77.781 6.386 0.163
9 HB2 TYR 62 HG2 TYR 62 77.596 4.713 -0.330
No H/Q in entry = 9
Start of MODEL 1
1 H ASP 63 H ASP 63 80.597 6.193 2.599
2 HA ASP 63 HB1 ASP 63 79.700 4.710 4.795
3 HB3 ASP 63 HG3 ASP 63 80.025 7.718 4.713
4 HB2 ASP 63 HG2 ASP 63 81.384 6.595 4.660
No H/Q in entry = 4
Start of MODEL 1
1 H TYR 64 H TYR 64 78.028 7.448 3.214
2 HD1 TYR 64 HD2 TYR 64 74.183 9.930 4.091
3 HD2 TYR 64 HE1 TYR 64 75.465 8.253 7.866
4 HE1 TYR 64 HE2 TYR 64 72.060 10.690 5.148
5 HE2 TYR 64 HH TYR 64 73.338 9.017 8.919
6 HH TYR 64 HXT TYR 64 71.547 11.167 8.121
7 HA TYR 64 HB1 TYR 64 75.481 6.716 4.548
8 HB3 TYR 64 HG3 TYR 64 76.764 9.442 4.835
9 HB2 TYR 64 HG2 TYR 64 76.905 8.186 6.048
No H/Q in entry = 9
Start of MODEL 1
1 H ILE 65 H ILE 65 73.901 6.961 3.022
2 HB ILE 65 HG12 ILE 65 73.066 6.469 0.614
3 HG12 ILE 65 HG13 ILE 65 75.461 7.947 -0.537
4 HG13 ILE 65 HG21 ILE 65 75.551 6.684 0.689
5 HG21 ILE 65 HG22 ILE 65 73.204 8.914 -1.185
6 HG22 ILE 65 HG23 ILE 65 72.849 7.284 -1.757
7 HD11 ILE 65 HD12 ILE 65 74.153 5.309 -1.103
8 HD12 ILE 65 HD13 ILE 65 74.885 6.455 -2.224
9 HG23 ILE 65 HXT ILE 65 71.743 8.089 -0.642
10 HD13 ILE 65 HXT ILE 65 75.907 5.421 -1.226
11 HA ILE 65 HB1 ILE 65 74.125 9.278 1.117
No H/Q in entry = 11
Start of MODEL 1
1 H LEU 66 H LEU 66 72.426 10.659 1.307
2 HD11 LEU 66 HD12 LEU 66 69.883 11.789 4.870
3 HD12 LEU 66 HD13 LEU 66 68.259 12.475 4.877
4 HD13 LEU 66 HD21 LEU 66 68.529 10.856 4.233
5 HD21 LEU 66 HD22 LEU 66 69.696 14.373 2.155
6 HD22 LEU 66 HD23 LEU 66 68.228 14.349 3.132
7 HG LEU 66 HXT LEU 66 68.394 12.142 2.281
8 HD23 LEU 66 HXT LEU 66 69.807 14.256 3.912
9 HA LEU 66 HB1 LEU 66 70.025 9.890 2.865
10 HB3 LEU 66 HG3 LEU 66 70.794 12.500 1.518
11 HB2 LEU 66 HG2 LEU 66 71.294 12.046 3.148
No H/Q in entry = 11
Start of MODEL 1
1 H PHE 67 H PHE 67 67.997 9.586 1.934
2 HD1 PHE 67 HD2 PHE 67 68.093 8.922 -2.761
3 HD2 PHE 67 HE1 PHE 67 69.157 5.892 0.132
4 HE1 PHE 67 HE2 PHE 67 69.851 8.066 -4.298
5 HE2 PHE 67 HZ PHE 67 70.933 5.048 -1.404
6 HZ PHE 67 HXT PHE 67 71.280 6.136 -3.624
7 HA PHE 67 HB1 PHE 67 67.738 9.956 -1.027
8 HB3 PHE 67 HG3 PHE 67 66.460 7.629 -0.664
9 HB2 PHE 67 HG2 PHE 67 67.570 7.518 0.687
No H/Q in entry = 9
Start of MODEL 1
1 H ARG 68 H ARG 68 65.846 11.004 -1.495
2 HB2 ARG 68 HG2 ARG 68 64.138 12.364 -2.238
3 HB3 ARG 68 HG3 ARG 68 62.727 12.715 -1.241
4 HG2 ARG 68 HD2 ARG 68 64.259 13.482 0.580
5 HG3 ARG 68 HD3 ARG 68 65.622 13.245 -0.515
6 HD2 ARG 68 HD3 ARG 68 63.262 15.064 -1.122
7 HE ARG 68 HH12 ARG 68 64.325 14.720 -3.212
8 HH11 ARG 68 HH21 ARG 68 66.729 14.990 -0.683
9 HH12 ARG 68 HH22 ARG 68 68.048 14.995 -1.800
10 HD3 ARG 68 HXT ARG 68 64.818 15.626 -0.481
11 HH21 ARG 68 HXT ARG 68 66.062 14.728 -4.619
12 HH22 ARG 68 H1 ARG 68 67.678 14.848 -4.004
13 HA ARG 68 HB1 ARG 68 63.669 11.161 0.508
No H/Q in entry = 13
Start of MODEL 1
1 H GLY 69 H GLY 69 61.572 10.292 0.142
2 HA2 GLY 69 HA3 GLY 69 59.973 8.797 -0.701
3 HA3 GLY 69 HXT GLY 69 61.336 7.843 -1.282
No H/Q in entry = 3
Start of MODEL 1
1 H SER 70 H SER 70 60.929 11.146 -2.373
2 HG SER 70 HXT SER 70 60.117 13.373 -2.657
3 HA SER 70 HB1 SER 70 59.253 10.671 -4.660
4 HB3 SER 70 HG3 SER 70 60.029 12.901 -5.318
5 HB2 SER 70 HG2 SER 70 61.381 12.783 -4.196
No H/Q in entry = 5
Start of MODEL 1
1 H ASP 71 H ASP 71 62.798 10.594 -4.245
2 HA ASP 71 HB1 ASP 71 63.266 10.339 -7.135
3 HB3 ASP 71 HG3 ASP 71 64.785 11.588 -5.648
4 HB2 ASP 71 HG2 ASP 71 65.635 10.253 -6.421
No H/Q in entry = 4
Start of MODEL 1
1 H ILE 72 H ILE 72 63.211 8.165 -4.328
2 HB ILE 72 HG12 ILE 72 63.992 6.437 -3.184
3 HG12 ILE 72 HG13 ILE 72 66.007 4.951 -4.838
4 HG13 ILE 72 HG21 ILE 72 65.822 6.685 -5.098
5 HG21 ILE 72 HG22 ILE 72 64.086 3.666 -4.428
6 HG22 ILE 72 HG23 ILE 72 64.512 4.051 -2.762
7 HD11 ILE 72 HD12 ILE 72 66.238 5.474 -2.362
8 HD12 ILE 72 HD13 ILE 72 67.568 6.032 -3.380
9 HG23 ILE 72 HXT ILE 72 62.850 4.248 -3.315
10 HD13 ILE 72 HXT ILE 72 66.345 7.172 -2.816
11 HA ILE 72 HB1 ILE 72 63.841 5.870 -6.134
No H/Q in entry = 11
Start of MODEL 1
1 H LYS 73 H LYS 73 62.367 4.168 -6.404
2 HB2 LYS 73 HG2 LYS 73 60.598 4.911 -8.258
3 HB3 LYS 73 HG3 LYS 73 60.677 3.164 -8.016
4 HG2 LYS 73 HG3 LYS 73 58.224 3.120 -7.645
5 HG3 LYS 73 HD2 LYS 73 58.160 4.856 -7.951
6 HD2 LYS 73 HD3 LYS 73 59.188 4.422 -10.209
7 HE2 LYS 73 HE3 LYS 73 57.027 3.202 -11.074
8 HE3 LYS 73 HZ1 LYS 73 56.499 3.339 -9.384
9 HZ1 LYS 73 HZ2 LYS 73 57.046 5.700 -9.450
10 HZ2 LYS 73 HZ3 LYS 73 57.504 5.565 -11.081
11 HD3 LYS 73 HXT LYS 73 59.009 2.695 -9.897
12 HZ3 LYS 73 HXT LYS 73 55.885 5.320 -10.627
13 HA LYS 73 HB1 LYS 73 59.558 5.079 -5.954
No H/Q in entry = 13
Start of MODEL 1
1 H ASP 74 H ASP 74 61.759 2.423 -5.236
2 HA ASP 74 HB1 ASP 74 59.507 1.014 -3.895
3 HB3 ASP 74 HG3 ASP 74 61.267 -0.348 -5.956
4 HB2 ASP 74 HG2 ASP 74 59.659 0.283 -6.316
No H/Q in entry = 4
Start of MODEL 1
1 H ILE 75 H ILE 75 60.162 0.034 -2.045
2 HB ILE 75 HG12 ILE 75 62.476 1.544 -0.632
3 HG12 ILE 75 HG13 ILE 75 62.764 -0.549 1.534
4 HG13 ILE 75 HG21 ILE 75 64.082 -0.145 0.433
5 HG21 ILE 75 HG22 ILE 75 60.469 -0.099 0.942
6 HG22 ILE 75 HG23 ILE 75 60.866 1.594 1.242
7 HD11 ILE 75 HD12 ILE 75 63.559 2.326 1.134
8 HD12 ILE 75 HD13 ILE 75 62.775 1.575 2.524
9 HG23 ILE 75 HXT ILE 75 60.077 1.125 -0.265
10 HD13 ILE 75 HXT ILE 75 64.492 1.302 2.224
11 HA ILE 75 HB1 ILE 75 63.063 -0.622 -1.693
No H/Q in entry = 11
Start of MODEL 1
1 H ARG 76 H ARG 76 63.424 -2.559 -0.554
2 HB2 ARG 76 HG2 ARG 76 62.767 -4.946 -1.587
3 HB3 ARG 76 HG3 ARG 76 61.747 -5.994 -0.603
4 HG2 ARG 76 HD2 ARG 76 59.810 -4.461 -1.129
5 HG3 ARG 76 HD3 ARG 76 60.861 -3.631 -2.277
6 HD2 ARG 76 HD3 ARG 76 61.237 -5.805 -3.458
7 HE ARG 76 HH12 ARG 76 59.428 -4.721 -4.542
8 HH11 ARG 76 HH21 ARG 76 58.401 -5.919 -1.418
9 HH12 ARG 76 HH22 ARG 76 56.742 -5.528 -1.703
10 HD3 ARG 76 HXT ARG 76 60.062 -6.562 -2.365
11 HH21 ARG 76 HXT ARG 76 57.272 -4.232 -4.865
12 HH22 ARG 76 H1 ARG 76 56.107 -4.583 -3.631
13 HA ARG 76 HB1 ARG 76 61.123 -3.927 0.748
No H/Q in entry = 13
Start of MODEL 1
1 H VAL 77 H VAL 77 61.789 -5.080 2.537
2 HB VAL 77 HG12 VAL 77 62.179 -6.050 4.710
3 HG11 VAL 77 HG12 VAL 77 64.391 -6.941 5.524
4 HG12 VAL 77 HG13 VAL 77 64.889 -5.277 5.830
5 HG13 VAL 77 HG21 VAL 77 63.532 -5.970 6.719
6 HG21 VAL 77 HG22 VAL 77 63.532 -3.361 4.550
7 HG22 VAL 77 HG23 VAL 77 61.812 -3.741 4.452
8 HG23 VAL 77 HXT VAL 77 62.645 -3.823 6.005
9 HA VAL 77 HB1 VAL 77 64.654 -5.032 3.262
No H/Q in entry = 9
Start of MODEL 1
1 H VAL 78 H VAL 78 65.937 -6.909 3.507
2 HB VAL 78 HG12 VAL 78 67.684 -8.547 3.168
3 HG11 VAL 78 HG12 VAL 78 66.696 -10.834 1.457
4 HG12 VAL 78 HG13 VAL 78 68.377 -10.299 1.409
5 HG13 VAL 78 HG21 VAL 78 67.689 -10.909 2.914
6 HG21 VAL 78 HG22 VAL 78 66.407 -8.323 0.424
7 HG22 VAL 78 HG23 VAL 78 67.000 -7.002 1.433
8 HG23 VAL 78 HXT VAL 78 68.138 -8.141 0.713
9 HA VAL 78 HB1 VAL 78 64.941 -9.344 2.120
No H/Q in entry = 9
Start of MODEL 1
1 H ASN 79 H ASN 79 64.478 -11.223 3.226
2 HD21 ASN 79 HD22 ASN 79 60.973 -11.993 6.610
3 HD22 ASN 79 HXT ASN 79 60.635 -10.341 6.410
4 HA ASN 79 HB1 ASN 79 64.857 -11.214 6.196
5 HB3 ASN 79 HG3 ASN 79 63.005 -12.939 6.040
6 HB2 ASN 79 HG2 ASN 79 62.949 -12.623 4.306
No H/Q in entry = 6
Start of MODEL 1
1 H ASN 80 H ASN 80 66.478 -12.521 6.923
2 HD21 ASN 80 HD22 ASN 80 70.654 -14.731 7.797
3 HD22 ASN 80 HXT ASN 80 71.304 -15.912 6.766
4 HA ASN 80 HB1 ASN 80 67.221 -14.942 5.307
5 HB3 ASN 80 HG3 ASN 80 68.902 -13.412 7.312
6 HB2 ASN 80 HG2 ASN 80 68.856 -13.003 5.597
No H/Q in entry = 6
Start of MODEL 1
1 H HIS 81 H HIS 81 66.074 -16.596 6.314
2 HD1 HIS 81 HD2 HIS 81 64.815 -16.005 11.213
3 HD2 HIS 81 HE1 HIS 81 62.875 -19.334 9.618
4 HE1 HIS 81 HE2 HIS 81 63.785 -17.239 13.170
5 HA HIS 81 HB1 HIS 81 66.547 -16.990 9.246
6 HB3 HIS 81 HG3 HIS 81 63.930 -17.500 7.828
7 HB2 HIS 81 HG2 HIS 81 64.304 -15.945 8.547
No H/Q in entry = 7
Start of MODEL 1
1 H THR 82 H THR 82 65.876 -19.329 9.847
2 HG1 THR 82 HG21 THR 82 66.406 -21.844 11.266
3 HG21 THR 82 HG22 THR 82 68.553 -19.750 9.152
4 HG22 THR 82 HG23 THR 82 69.424 -20.927 10.134
5 HG23 THR 82 HXT THR 82 69.161 -21.234 8.418
6 HA THR 82 HB1 THR 82 66.688 -21.196 7.638
7 HB THR 82 HG12 THR 82 67.555 -22.572 9.568
No H/Q in entry = 7
Start of MODEL 1
1 H LEU 83 H LEU 83 65.725 -23.398 7.824
2 HD11 LEU 83 HD12 LEU 83 62.407 -24.131 4.672
3 HD12 LEU 83 HD13 LEU 83 61.663 -22.534 4.597
4 HD13 LEU 83 HD21 LEU 83 63.420 -22.688 4.613
5 HD21 LEU 83 HD22 LEU 83 60.624 -24.071 6.766
6 HD22 LEU 83 HD23 LEU 83 61.032 -22.983 8.093
7 HG LEU 83 HXT LEU 83 62.935 -22.104 6.836
8 HD23 LEU 83 HXT LEU 83 60.460 -22.327 6.558
9 HA LEU 83 HB1 LEU 83 62.968 -23.318 9.016
10 HB3 LEU 83 HG3 LEU 83 62.667 -25.091 7.096
11 HB2 LEU 83 HG2 LEU 83 64.155 -24.386 6.463
No H/Q in entry = 11
Start of MODEL 1
1 HB2 PRO 84 HG2 PRO 84 61.682 -28.490 11.036
2 HB3 PRO 84 HG3 PRO 84 61.765 -27.076 12.104
3 HG2 PRO 84 HD2 PRO 84 60.590 -27.330 9.389
4 HG3 PRO 84 HD3 PRO 84 60.034 -26.386 10.779
5 HD2 PRO 84 HD3 PRO 84 61.330 -25.297 8.648
6 HD3 PRO 84 HXT PRO 84 61.397 -24.617 10.288
7 HA PRO 84 HB1 PRO 84 63.937 -26.932 11.349
No H/Q in entry = 7
Start of MODEL 2
1 H1 GLY -3 H1 GLY -3 60.266 -2.835 25.841
2 H2 GLY -3 H2 GLY -3 60.638 -1.827 24.526
3 H3 GLY -3 H3 GLY -3 59.053 -1.882 25.129
4 HA2 GLY -3 HA3 GLY -3 60.490 -4.110 23.791
5 HA3 GLY -3 HXT GLY -3 59.193 -3.141 23.088
No H/Q in entry = 5
Start of MODEL 2
1 H ALA -2 H ALA -2 57.096 -3.161 24.356
2 HA ALA -2 HB1 ALA -2 56.533 -5.197 26.323
3 HB1 ALA -2 HB2 ALA -2 54.567 -3.952 24.390
4 HB2 ALA -2 HB3 ALA -2 55.276 -3.030 25.716
5 HB3 ALA -2 HXT ALA -2 54.285 -4.448 26.059
No H/Q in entry = 5
Start of MODEL 2
1 H MET -1 H MET -1 56.389 -5.136 22.785
2 HB2 MET -1 HG2 MET -1 55.783 -5.749 20.641
3 HB3 MET -1 HG3 MET -1 55.115 -7.335 20.257
4 HE1 MET -1 HE2 MET -1 54.384 -3.711 20.344
5 HE2 MET -1 HE3 MET -1 54.871 -4.615 18.913
6 HE3 MET -1 HXT MET -1 53.500 -3.512 18.824
7 HA MET -1 HB1 MET -1 55.260 -7.895 22.721
8 HG3 MET -1 HD3 MET -1 53.895 -5.253 22.093
9 HG2 MET -1 HD2 MET -1 53.264 -6.888 21.891
No H/Q in entry = 9
Start of MODEL 2
1 H ALA 0 H ALA 0 56.495 -9.638 22.048
2 HA ALA 0 HB1 ALA 0 59.378 -9.464 22.065
3 HB1 ALA 0 HB2 ALA 0 57.740 -11.710 20.882
4 HB2 ALA 0 HB3 ALA 0 59.253 -11.816 21.783
5 HB3 ALA 0 HXT ALA 0 57.754 -11.413 22.621
No H/Q in entry = 5
Start of MODEL 2
1 H MET 1 H MET 1 56.955 -9.539 19.481
2 HB2 MET 1 HG2 MET 1 56.436 -10.549 17.326
3 HB3 MET 1 HG3 MET 1 57.466 -10.292 15.918
4 HE1 MET 1 HE2 MET 1 60.771 -11.995 18.603
5 HE2 MET 1 HE3 MET 1 60.383 -13.545 17.861
6 HE3 MET 1 HXT MET 1 61.817 -12.647 17.346
7 HA MET 1 HB1 MET 1 59.158 -9.216 17.463
8 HG3 MET 1 HD3 MET 1 57.662 -12.581 17.039
9 HG2 MET 1 HD2 MET 1 58.433 -11.746 18.387
No H/Q in entry = 9
Start of MODEL 2
1 H SER 2 H SER 2 58.761 -7.675 15.778
2 HG SER 2 HXT SER 2 60.263 -4.675 15.835
3 HA SER 2 HB1 SER 2 56.407 -5.858 16.179
4 HB3 SER 2 HG3 SER 2 58.543 -4.994 17.153
5 HB2 SER 2 HG2 SER 2 57.945 -3.982 15.841
No H/Q in entry = 5
Start of MODEL 2
1 H GLY 3 H GLY 3 55.737 -4.749 14.212
2 HA2 GLY 3 HA3 GLY 3 55.071 -5.757 11.956
3 HA3 GLY 3 HXT GLY 3 56.803 -5.958 11.686
No H/Q in entry = 3
Start of MODEL 2
1 H GLY 4 H GLY 4 54.960 -3.229 13.080
2 HA2 GLY 4 HA3 GLY 4 54.773 -0.996 12.376
3 HA3 GLY 4 HXT GLY 4 55.190 -1.547 10.753
No H/Q in entry = 3
Start of MODEL 2
1 H LEU 5 H LEU 5 57.054 -1.732 13.793
2 HD11 LEU 5 HD12 LEU 5 59.668 1.939 14.244
3 HD12 LEU 5 HD13 LEU 5 59.233 1.850 15.951
4 HD13 LEU 5 HD21 LEU 5 60.901 2.181 15.482
5 HD21 LEU 5 HD22 LEU 5 59.934 -0.276 17.298
6 HD22 LEU 5 HD23 LEU 5 61.179 -1.290 16.568
7 HG LEU 5 HXT LEU 5 61.075 -0.075 14.498
8 HD23 LEU 5 HXT LEU 5 61.531 0.392 16.964
9 HA LEU 5 HB1 LEU 5 58.938 0.355 12.949
10 HB3 LEU 5 HG3 LEU 5 59.113 -1.649 15.217
11 HB2 LEU 5 HG2 LEU 5 58.176 -0.156 15.305
No H/Q in entry = 11
Start of MODEL 2
1 HB2 PRO 6 HG2 PRO 6 63.139 -0.595 10.033
2 HB3 PRO 6 HG3 PRO 6 62.159 -1.587 8.940
3 HG2 PRO 6 HD2 PRO 6 61.644 1.018 9.432
4 HG3 PRO 6 HD3 PRO 6 60.393 -0.160 9.008
5 HD2 PRO 6 HD3 PRO 6 61.065 1.010 11.662
6 HD3 PRO 6 HXT PRO 6 59.484 0.556 10.988
7 HA PRO 6 HB1 PRO 6 61.294 -2.799 10.674
No H/Q in entry = 7
Start of MODEL 2
1 H GLU 7 H GLU 7 63.022 -4.012 11.433
2 HB2 GLU 7 HG2 GLU 7 64.945 -5.327 11.680
3 HB3 GLU 7 HG3 GLU 7 65.719 -5.388 13.264
4 HA GLU 7 HB1 GLU 7 64.277 -3.431 13.950
5 HG3 GLU 7 HD3 GLU 7 62.752 -5.696 12.714
6 HG2 GLU 7 HD2 GLU 7 63.486 -5.679 14.318
No H/Q in entry = 6
Start of MODEL 2
1 H LEU 8 H LEU 8 66.096 -2.241 14.400
2 HD11 LEU 8 HD12 LEU 8 67.490 -0.174 16.993
3 HD12 LEU 8 HD13 LEU 8 67.978 1.424 16.426
4 HD13 LEU 8 HD21 LEU 8 66.294 1.114 16.850
5 HD21 LEU 8 HD22 LEU 8 67.851 1.908 13.970
6 HD22 LEU 8 HD23 LEU 8 66.465 1.236 13.111
7 HG LEU 8 HXT LEU 8 65.954 -0.251 14.932
8 HD23 LEU 8 HXT LEU 8 66.215 2.249 14.532
9 HA LEU 8 HB1 LEU 8 67.339 -0.539 12.454
10 HB3 LEU 8 HG3 LEU 8 68.923 -0.109 14.354
11 HB2 LEU 8 HG2 LEU 8 68.176 -1.449 15.225
No H/Q in entry = 11
Start of MODEL 2
1 H GLY 9 H GLY 9 69.291 -0.750 11.328
2 HA2 GLY 9 HA3 GLY 9 71.229 -2.840 11.932
3 HA3 GLY 9 HXT GLY 9 71.324 -1.668 10.638
No H/Q in entry = 3
Start of MODEL 2
1 H SER 10 H SER 10 68.323 -3.059 10.284
2 HG SER 10 HXT SER 10 66.705 -5.858 10.210
3 HA SER 10 HB1 SER 10 68.872 -5.600 9.083
4 HB3 SER 10 HG3 SER 10 66.628 -5.227 8.055
5 HB2 SER 10 HG2 SER 10 66.695 -3.547 8.581
No H/Q in entry = 5
Start of MODEL 2
1 H LYS 11 H LYS 11 69.369 -6.157 6.935
2 HB2 LYS 11 HG2 LYS 11 71.176 -5.976 3.839
3 HB3 LYS 11 HG3 LYS 11 71.487 -6.344 5.532
4 HG2 LYS 11 HG3 LYS 11 69.255 -7.552 5.580
5 HG3 LYS 11 HD2 LYS 11 69.185 -7.340 3.831
6 HD2 LYS 11 HD3 LYS 11 71.496 -8.439 3.754
7 HE2 LYS 11 HE3 LYS 11 68.917 -9.812 4.483
8 HE3 LYS 11 HZ1 LYS 11 69.811 -9.845 2.950
9 HZ1 LYS 11 HZ2 LYS 11 70.747 -11.025 5.514
10 HZ2 LYS 11 HZ3 LYS 11 70.125 -11.906 4.201
11 HD3 LYS 11 HXT LYS 11 71.215 -8.904 5.432
12 HZ3 LYS 11 HXT LYS 11 71.585 -11.061 4.037
13 HA LYS 11 HB1 LYS 11 70.499 -4.069 5.208
No H/Q in entry = 13
Start of MODEL 2
1 H ILE 12 H ILE 12 69.352 -2.977 3.680
2 HB ILE 12 HG12 ILE 12 67.557 -1.249 3.224
3 HG12 ILE 12 HG13 ILE 12 65.528 -2.951 4.707
4 HG13 ILE 12 HG21 ILE 12 67.178 -2.693 5.273
5 HG21 ILE 12 HG22 ILE 12 65.916 -1.575 1.361
6 HG22 ILE 12 HG23 ILE 12 64.852 -2.418 2.488
7 HD11 ILE 12 HD12 ILE 12 66.762 -0.230 5.242
8 HD12 ILE 12 HD13 ILE 12 65.085 -0.551 4.799
9 HG23 ILE 12 HXT ILE 12 65.223 -0.711 2.734
10 HD13 ILE 12 HXT ILE 12 65.702 -1.086 6.362
11 HA ILE 12 HB1 ILE 12 66.744 -4.141 2.747
No H/Q in entry = 11
Start of MODEL 2
1 H SER 13 H SER 13 66.368 -4.106 0.545
2 HG SER 13 HXT SER 13 68.482 -4.863 -3.276
3 HA SER 13 HB1 SER 13 68.530 -3.089 -1.241
4 HB3 SER 13 HG3 SER 13 66.132 -4.883 -1.761
5 HB2 SER 13 HG2 SER 13 67.748 -5.465 -1.369
No H/Q in entry = 5
Start of MODEL 2
1 H LEU 14 H LEU 14 68.049 -1.469 -2.763
2 HD11 LEU 14 HD12 LEU 14 65.330 1.390 -0.056
3 HD12 LEU 14 HD13 LEU 14 64.478 2.806 -0.671
4 HD13 LEU 14 HD21 LEU 14 64.309 1.253 -1.488
5 HD21 LEU 14 HD22 LEU 14 67.604 2.991 -0.411
6 HD22 LEU 14 HD23 LEU 14 67.595 3.848 -1.952
7 HG LEU 14 HXT LEU 14 65.844 2.526 -2.814
8 HD23 LEU 14 HXT LEU 14 66.291 4.106 -0.792
9 HA LEU 14 HB1 LEU 14 65.369 -0.158 -2.503
10 HB3 LEU 14 HG3 LEU 14 68.016 1.298 -2.448
11 HB2 LEU 14 HG2 LEU 14 67.322 0.626 -0.973
No H/Q in entry = 11
Start of MODEL 2
1 H ILE 15 H ILE 15 64.570 0.374 -4.509
2 HB ILE 15 HG12 ILE 15 63.442 -0.020 -6.636
3 HG12 ILE 15 HG13 ILE 15 65.566 -2.085 -7.282
4 HG13 ILE 15 HG21 ILE 15 64.944 -1.838 -5.650
5 HG21 ILE 15 HG22 ILE 15 64.185 0.902 -8.820
6 HG22 ILE 15 HG23 ILE 15 65.325 -0.434 -8.982
7 HD11 ILE 15 HD12 ILE 15 62.641 -2.261 -6.491
8 HD12 ILE 15 HD13 ILE 15 63.307 -2.585 -8.091
9 HG23 ILE 15 HXT ILE 15 63.590 -0.750 -8.979
10 HD13 ILE 15 HXT ILE 15 63.703 -3.646 -6.740
11 HA ILE 15 HB1 ILE 15 66.458 0.356 -6.838
No H/Q in entry = 11
Start of MODEL 2
1 H SER 16 H SER 16 66.965 2.367 -7.574
2 HG SER 16 HXT SER 16 68.556 5.253 -6.037
3 HA SER 16 HB1 SER 16 65.290 4.709 -6.876
4 HB3 SER 16 HG3 SER 16 67.284 5.928 -7.695
5 HB2 SER 16 HG2 SER 16 67.988 4.402 -8.220
No H/Q in entry = 5
Start of MODEL 2
1 H LYS 17 H LYS 17 64.769 6.317 -8.557
2 HB2 LYS 17 HG2 LYS 17 63.143 7.554 -9.498
3 HB3 LYS 17 HG3 LYS 17 64.472 7.987 -10.574
4 HG2 LYS 17 HG3 LYS 17 63.040 7.438 -12.530
5 HG3 LYS 17 HD2 LYS 17 61.706 7.085 -11.431
6 HD2 LYS 17 HD3 LYS 17 61.886 9.417 -10.541
7 HE2 LYS 17 HE3 LYS 17 61.491 9.249 -13.554
8 HE3 LYS 17 HZ1 LYS 17 60.259 8.853 -12.340
9 HZ1 LYS 17 HZ2 LYS 17 61.683 11.455 -12.537
10 HZ2 LYS 17 HZ3 LYS 17 60.102 11.175 -13.081
11 HD3 LYS 17 HXT LYS 17 63.108 9.752 -11.769
12 HZ3 LYS 17 HXT LYS 17 60.461 11.062 -11.424
13 HA LYS 17 HB1 LYS 17 63.128 5.277 -10.585
No H/Q in entry = 13
Start of MODEL 2
1 H ALA 18 H ALA 18 66.578 5.609 -10.745
2 HA ALA 18 HB1 ALA 18 66.664 5.822 -13.690
3 HB1 ALA 18 HB2 ALA 18 69.185 5.608 -13.085
4 HB2 ALA 18 HB3 ALA 18 68.335 7.051 -12.531
5 HB3 ALA 18 HXT ALA 18 68.647 5.723 -11.407
No H/Q in entry = 5
Start of MODEL 2
1 H ASP 19 H ASP 19 65.567 3.370 -12.136
2 HA ASP 19 HB1 ASP 19 65.728 1.027 -12.136
3 HB3 ASP 19 HG3 ASP 19 66.683 0.133 -14.317
4 HB2 ASP 19 HG2 ASP 19 67.090 1.794 -14.738
No H/Q in entry = 4
Start of MODEL 2
1 H ILE 20 H ILE 20 67.797 2.570 -10.758
2 HB ILE 20 HG12 ILE 20 69.751 3.363 -9.454
3 HG12 ILE 20 HG13 ILE 20 71.141 3.056 -12.137
4 HG13 ILE 20 HG21 ILE 20 69.519 3.704 -11.928
5 HG21 ILE 20 HG22 ILE 20 72.254 1.825 -10.215
6 HG22 ILE 20 HG23 ILE 20 72.275 3.438 -9.502
7 HD11 ILE 20 HD12 ILE 20 70.558 5.404 -10.319
8 HD12 ILE 20 HD13 ILE 20 72.122 4.880 -10.944
9 HG23 ILE 20 HXT ILE 20 71.617 2.079 -8.591
10 HD13 ILE 20 HXT ILE 20 70.939 5.613 -12.028
11 HA ILE 20 HB1 ILE 20 70.224 0.849 -11.103
No H/Q in entry = 11
Start of MODEL 2
1 H ARG 21 H ARG 21 70.879 -0.516 -9.408
2 HB2 ARG 21 HG2 ARG 21 69.458 -2.719 -8.796
3 HB3 ARG 21 HG3 ARG 21 71.106 -2.704 -8.168
4 HG2 ARG 21 HD2 ARG 21 70.171 -3.088 -5.870
5 HG3 ARG 21 HD3 ARG 21 68.576 -3.271 -6.599
6 HD2 ARG 21 HD3 ARG 21 70.970 -4.952 -7.414
7 HE ARG 21 HH12 ARG 21 68.531 -4.526 -8.678
8 HH11 ARG 21 HH21 ARG 21 70.027 -7.281 -7.122
9 HH12 ARG 21 HH22 ARG 21 69.200 -8.421 -8.124
10 HD3 ARG 21 HXT ARG 21 69.770 -5.468 -6.214
11 HH21 ARG 21 HXT ARG 21 67.485 -6.037 -9.949
12 HH22 ARG 21 H1 ARG 21 67.775 -7.726 -9.707
13 HA ARG 21 HB1 ARG 21 68.915 -0.849 -7.176
No H/Q in entry = 13
Start of MODEL 2
1 H TYR 22 H TYR 22 69.551 0.080 -5.302
2 HD1 TYR 22 HD2 TYR 22 73.555 2.928 -4.183
3 HD2 TYR 22 HE1 TYR 22 69.642 2.623 -6.002
4 HE1 TYR 22 HE2 TYR 22 74.235 4.580 -5.926
5 HE2 TYR 22 HH TYR 22 70.323 4.278 -7.752
6 HH TYR 22 HXT TYR 22 73.242 4.993 -8.568
7 HA TYR 22 HB1 TYR 22 72.458 0.089 -4.565
8 HB3 TYR 22 HG3 TYR 22 71.666 1.906 -2.995
9 HB2 TYR 22 HG2 TYR 22 70.086 1.778 -3.735
No H/Q in entry = 9
Start of MODEL 2
1 H GLU 23 H GLU 23 72.981 -0.750 -2.474
2 HB2 GLU 23 HG2 GLU 23 71.687 -3.542 -2.342
3 HB3 GLU 23 HG3 GLU 23 73.238 -3.325 -1.531
4 HA GLU 23 HB1 GLU 23 70.723 -1.789 -0.804
5 HG3 GLU 23 HD3 GLU 23 70.643 -4.216 -0.237
6 HG2 GLU 23 HD2 GLU 23 72.140 -3.894 0.638
No H/Q in entry = 6
Start of MODEL 2
1 H GLY 24 H GLY 24 71.149 -1.600 1.424
2 HA2 GLY 24 HA3 GLY 24 72.909 0.385 2.311
3 HA3 GLY 24 HXT GLY 24 73.813 -1.119 2.476
No H/Q in entry = 3
Start of MODEL 2
1 H ARG 25 H ARG 25 73.624 -0.226 4.815
2 HB2 ARG 25 HG2 ARG 25 73.877 -0.065 7.088
3 HB3 ARG 25 HG3 ARG 25 72.874 -0.994 8.201
4 HG2 ARG 25 HD2 ARG 25 73.459 -3.066 6.939
5 HG3 ARG 25 HD3 ARG 25 74.547 -2.110 5.932
6 HD2 ARG 25 HD3 ARG 25 75.762 -1.407 8.032
7 HE ARG 25 HH12 ARG 25 76.014 -3.744 6.561
8 HH11 ARG 25 HH21 ARG 25 76.484 -2.946 9.937
9 HH12 ARG 25 HH22 ARG 25 77.684 -4.169 10.159
10 HD3 ARG 25 HXT ARG 25 74.765 -2.571 8.925
11 HH21 ARG 25 HXT ARG 25 77.571 -5.310 6.897
12 HH22 ARG 25 H1 ARG 25 78.295 -5.493 8.460
13 HA ARG 25 HB1 ARG 25 71.556 -1.806 6.205
No H/Q in entry = 13
Start of MODEL 2
1 H LEU 26 H LEU 26 69.724 -0.952 7.159
2 HD11 LEU 26 HD12 LEU 26 66.859 1.897 6.246
3 HD12 LEU 26 HD13 LEU 26 65.328 1.137 6.679
4 HD13 LEU 26 HD21 LEU 26 65.647 2.808 7.146
5 HD21 LEU 26 HD22 LEU 26 66.082 0.093 9.945
6 HD22 LEU 26 HD23 LEU 26 64.997 1.446 9.621
7 HG LEU 26 HXT LEU 26 67.115 2.193 8.851
8 HD23 LEU 26 HXT LEU 26 65.009 0.048 8.546
9 HA LEU 26 HB1 LEU 26 68.824 1.742 6.766
10 HB3 LEU 26 HG3 LEU 26 68.026 -0.226 8.925
11 HB2 LEU 26 HG2 LEU 26 67.491 -0.338 7.249
No H/Q in entry = 11
Start of MODEL 2
1 H TYR 27 H TYR 27 69.750 3.535 7.763
2 HD1 TYR 27 HD2 TYR 27 73.202 3.723 10.967
3 HD2 TYR 27 HE1 TYR 27 71.831 7.521 9.418
4 HE1 TYR 27 HE2 TYR 27 74.646 4.917 12.618
5 HE2 TYR 27 HH TYR 27 73.275 8.713 11.069
6 HH TYR 27 HXT TYR 27 74.695 7.173 13.733
7 HA TYR 27 HB1 TYR 27 71.036 3.224 10.435
8 HB3 TYR 27 HG3 TYR 27 71.007 5.548 8.498
9 HB2 TYR 27 HG2 TYR 27 72.176 4.241 8.430
No H/Q in entry = 9
Start of MODEL 2
1 H THR 28 H THR 28 68.734 5.402 8.748
2 HG1 THR 28 HG21 THR 28 68.641 8.828 9.248
3 HG21 THR 28 HG22 THR 28 68.731 6.722 12.611
4 HG22 THR 28 HG23 THR 28 70.138 7.002 11.587
5 HG23 THR 28 HXT THR 28 69.350 8.358 12.392
6 HA THR 28 HB1 THR 28 67.219 5.794 11.262
7 HB THR 28 HG12 THR 28 67.527 8.332 10.934
No H/Q in entry = 7
Start of MODEL 2
1 H VAL 29 H VAL 29 65.163 6.883 10.869
2 HB VAL 29 HG12 VAL 29 63.986 4.915 8.655
3 HG11 VAL 29 HG12 VAL 29 63.630 5.440 11.107
4 HG12 VAL 29 HG13 VAL 29 62.021 6.020 10.679
5 HG13 VAL 29 HG21 VAL 29 62.448 4.330 10.412
6 HG21 VAL 29 HG22 VAL 29 61.704 6.782 8.078
7 HG22 VAL 29 HG23 VAL 29 62.452 5.577 7.031
8 HG23 VAL 29 HXT VAL 29 61.372 5.067 8.327
9 HA VAL 29 HB1 VAL 29 64.408 7.283 8.014
No H/Q in entry = 9
Start of MODEL 2
1 H ASP 30 H ASP 30 62.728 8.807 7.746
2 HA ASP 30 HB1 ASP 30 61.589 10.018 10.244
3 HB3 ASP 30 HG3 ASP 30 62.243 11.519 7.706
4 HB2 ASP 30 HG2 ASP 30 63.472 11.240 8.940
No H/Q in entry = 4
Start of MODEL 2
1 HB2 PRO 31 HG2 PRO 31 56.202 8.871 9.661
2 HB3 PRO 31 HG3 PRO 31 57.177 7.397 9.508
3 HG2 PRO 31 HD2 PRO 31 57.513 9.703 11.345
4 HG3 PRO 31 HD3 PRO 31 57.808 7.981 11.624
5 HD2 PRO 31 HD3 PRO 31 59.803 9.755 11.202
6 HD3 PRO 31 HXT PRO 31 59.908 8.053 10.698
7 HA PRO 31 HB1 PRO 31 58.140 8.441 7.709
No H/Q in entry = 7
Start of MODEL 2
1 H GLN 32 H GLN 32 58.031 11.428 9.662
2 HB2 GLN 32 HG2 GLN 32 56.190 12.802 10.641
3 HB3 GLN 32 HG3 GLN 32 57.536 13.841 10.173
4 HE21 GLN 32 HE22 GLN 32 53.502 15.788 10.712
5 HE22 GLN 32 HXT GLN 32 52.326 14.598 10.423
6 HA GLN 32 HB1 GLN 32 55.713 12.460 8.173
7 HG3 GLN 32 HD3 GLN 32 55.761 15.106 8.746
8 HG2 GLN 32 HD2 GLN 32 55.783 15.374 10.489
No H/Q in entry = 8
Start of MODEL 2
1 H GLU 33 H GLU 33 59.207 12.805 8.052
2 HB2 GLU 33 HG2 GLU 33 61.293 13.249 7.185
3 HB3 GLU 33 HG3 GLU 33 61.567 14.598 6.084
4 HA GLU 33 HB1 GLU 33 59.083 15.025 6.113
5 HG3 GLU 33 HD3 GLU 33 61.889 15.168 8.525
6 HG2 GLU 33 HD2 GLU 33 60.166 14.879 8.755
No H/Q in entry = 6
Start of MODEL 2
1 H CYS 34 H CYS 34 58.345 11.774 5.818
2 HG CYS 34 HXT CYS 34 55.843 12.256 2.541
3 HA CYS 34 HB1 CYS 34 58.440 10.184 4.078
4 HB3 CYS 34 HG3 CYS 34 58.320 11.412 1.790
5 HB2 CYS 34 HG2 CYS 34 58.339 12.891 2.749
No H/Q in entry = 5
Start of MODEL 2
1 H THR 35 H THR 35 61.027 10.740 5.234
2 HG1 THR 35 HG21 THR 35 63.688 12.450 6.094
3 HG21 THR 35 HG22 THR 35 61.997 12.711 2.664
4 HG22 THR 35 HG23 THR 35 62.571 13.993 3.730
5 HG23 THR 35 HXT THR 35 63.652 13.302 2.521
6 HA THR 35 HB1 THR 35 62.809 10.484 2.833
7 HB THR 35 HG12 THR 35 64.396 11.976 4.197
No H/Q in entry = 7
Start of MODEL 2
1 H ILE 36 H ILE 36 64.772 9.300 3.267
2 HB ILE 36 HG12 ILE 36 65.319 5.838 4.849
3 HG12 ILE 36 HG13 ILE 36 64.264 7.193 2.349
4 HG13 ILE 36 HG21 ILE 36 65.979 6.876 2.606
5 HG21 ILE 36 HG22 ILE 36 63.048 6.922 5.627
6 HG22 ILE 36 HG23 ILE 36 62.686 6.926 3.901
7 HD11 ILE 36 HD12 ILE 36 63.954 4.667 2.907
8 HD12 ILE 36 HD13 ILE 36 64.579 5.101 1.316
9 HG23 ILE 36 HXT ILE 36 63.035 5.407 4.725
10 HD13 ILE 36 HXT ILE 36 65.682 4.543 2.573
11 HA ILE 36 HB1 ILE 36 65.038 8.057 5.965
No H/Q in entry = 11
Start of MODEL 2
1 H ALA 37 H ALA 37 67.220 7.119 6.282
2 HA ALA 37 HB1 ALA 37 69.265 7.986 4.277
3 HB1 ALA 37 HB2 ALA 37 68.801 9.414 6.496
4 HB2 ALA 37 HB3 ALA 37 70.437 9.184 5.879
5 HB3 ALA 37 HXT ALA 37 69.847 8.184 7.209
No H/Q in entry = 5
Start of MODEL 2
1 H LEU 38 H LEU 38 70.621 6.329 3.793
2 HD11 LEU 38 HD12 LEU 38 69.479 2.120 1.649
3 HD12 LEU 38 HD13 LEU 38 67.917 2.937 1.678
4 HD13 LEU 38 HD21 LEU 38 69.348 3.791 1.100
5 HD21 LEU 38 HD22 LEU 38 69.469 1.737 4.362
6 HD22 LEU 38 HD23 LEU 38 68.562 3.005 5.186
7 HG LEU 38 HXT LEU 38 68.768 4.501 3.392
8 HD23 LEU 38 HXT LEU 38 67.814 2.101 3.870
9 HA LEU 38 HB1 LEU 38 70.600 3.908 5.561
10 HB3 LEU 38 HG3 LEU 38 71.248 2.760 3.430
11 HB2 LEU 38 HG2 LEU 38 71.171 4.316 2.605
No H/Q in entry = 11
Start of MODEL 2
1 H SER 39 H SER 39 72.628 2.973 6.124
2 HG SER 39 HXT SER 39 74.990 2.074 8.163
3 HA SER 39 HB1 SER 39 75.017 4.715 5.577
4 HB3 SER 39 HG3 SER 39 74.106 4.724 7.907
5 HB2 SER 39 HG2 SER 39 75.734 4.055 7.837
No H/Q in entry = 5
Start of MODEL 2
1 H SER 40 H SER 40 77.057 3.530 5.353
2 HG SER 40 HXT SER 40 75.975 0.284 6.572
3 HA SER 40 HB1 SER 40 78.235 1.953 4.048
4 HB3 SER 40 HG3 SER 40 77.987 1.039 6.425
5 HB2 SER 40 HG2 SER 40 78.354 -0.151 5.185
No H/Q in entry = 5
Start of MODEL 2
1 H VAL 41 H VAL 41 77.082 2.401 2.072
2 HB VAL 41 HG12 VAL 41 73.996 2.228 1.875
3 HG11 VAL 41 HG12 VAL 41 75.851 3.827 1.305
4 HG12 VAL 41 HG13 VAL 41 75.461 3.582 -0.401
5 HG13 VAL 41 HG21 VAL 41 74.272 4.309 0.680
6 HG21 VAL 41 HG22 VAL 41 74.028 1.171 -0.910
7 HG22 VAL 41 HG23 VAL 41 72.721 1.200 0.270
8 HG23 VAL 41 HXT VAL 41 73.113 2.653 -0.646
9 HA VAL 41 HB1 VAL 41 75.271 0.184 1.214
No H/Q in entry = 9
Start of MODEL 2
1 H ARG 42 H ARG 42 75.465 -0.350 -1.018
2 HB2 ARG 42 HG2 ARG 42 78.462 -1.130 -3.243
3 HB3 ARG 42 HG3 ARG 42 78.534 -0.907 -1.497
4 HG2 ARG 42 HD2 ARG 42 76.348 -2.156 -1.322
5 HG3 ARG 42 HD3 ARG 42 76.479 -2.511 -3.045
6 HD2 ARG 42 HD3 ARG 42 78.706 -3.587 -2.610
7 HE ARG 42 HH12 ARG 42 76.175 -4.639 -2.194
8 HH11 ARG 42 HH21 ARG 42 79.296 -5.175 -0.702
9 HH12 ARG 42 HH22 ARG 42 78.927 -6.813 -0.290
10 HD3 ARG 42 HXT ARG 42 78.434 -3.345 -0.874
11 HH21 ARG 42 HXT ARG 42 75.745 -6.760 -1.642
12 HH22 ARG 42 H1 ARG 42 76.940 -7.703 -0.816
13 HA ARG 42 HB1 ARG 42 77.569 1.092 -2.581
No H/Q in entry = 13
Start of MODEL 2
1 H SER 43 H SER 43 77.261 0.937 -4.894
2 HG SER 43 HXT SER 43 77.379 2.391 -6.553
3 HA SER 43 HB1 SER 43 74.480 0.169 -5.697
4 HB3 SER 43 HG3 SER 43 75.322 2.536 -5.939
5 HB2 SER 43 HG2 SER 43 74.805 1.815 -7.461
No H/Q in entry = 5
Start of MODEL 2
1 H PHE 44 H PHE 44 74.188 -1.320 -7.378
2 HD1 PHE 44 HD2 PHE 44 75.835 -5.690 -7.175
3 HD2 PHE 44 HE1 PHE 44 72.490 -3.038 -6.487
4 HE1 PHE 44 HE2 PHE 44 75.433 -6.771 -4.962
5 HE2 PHE 44 HZ PHE 44 72.089 -4.119 -4.273
6 HZ PHE 44 HXT PHE 44 73.560 -5.986 -3.511
7 HA PHE 44 HB1 PHE 44 76.467 -3.118 -7.854
8 HB3 PHE 44 HG3 PHE 44 74.629 -4.405 -9.054
9 HB2 PHE 44 HG2 PHE 44 73.541 -3.103 -8.608
No H/Q in entry = 9
Start of MODEL 2
1 H GLY 45 H GLY 45 74.397 -0.974 -9.835
2 HA2 GLY 45 HA3 GLY 45 75.718 -1.642 -12.325
3 HA3 GLY 45 HXT GLY 45 76.372 -0.173 -11.612
No H/Q in entry = 3
Start of MODEL 2
1 H THR 46 H THR 46 75.457 0.681 -13.721
2 HG1 THR 46 HG21 THR 46 75.437 3.381 -15.177
3 HG21 THR 46 HG22 THR 46 73.332 2.845 -12.064
4 HG22 THR 46 HG23 THR 46 74.317 4.220 -12.569
5 HG23 THR 46 HXT THR 46 72.613 4.145 -13.014
6 HA THR 46 HB1 THR 46 72.525 1.290 -13.494
7 HB THR 46 HG12 THR 46 73.371 3.306 -14.977
No H/Q in entry = 7
Start of MODEL 2
1 H GLU 47 H GLU 47 74.379 -0.804 -15.099
2 HB2 GLU 47 HG2 GLU 47 75.510 -2.145 -16.498
3 HB3 GLU 47 HG3 GLU 47 73.912 -2.860 -16.709
4 HA GLU 47 HB1 GLU 47 74.682 -0.137 -17.775
5 HG3 GLU 47 HD3 GLU 47 75.814 -2.028 -18.918
6 HG2 GLU 47 HD2 GLU 47 74.172 -2.617 -19.181
No H/Q in entry = 6
Start of MODEL 2
1 H ASP 48 H ASP 48 71.670 -1.080 -16.200
2 HA ASP 48 HB1 ASP 48 70.221 -1.957 -18.526
3 HB3 ASP 48 HG3 ASP 48 68.243 -1.428 -17.050
4 HB2 ASP 48 HG2 ASP 48 69.361 -0.681 -15.909
No H/Q in entry = 4
Start of MODEL 2
1 H ARG 49 H ARG 49 69.928 1.190 -16.814
2 HB2 ARG 49 HG2 ARG 49 69.156 3.260 -16.394
3 HB3 ARG 49 HG3 ARG 49 68.612 4.387 -17.638
4 HG2 ARG 49 HD2 ARG 49 66.886 2.606 -18.285
5 HG3 ARG 49 HD3 ARG 49 67.302 1.806 -16.768
6 HD2 ARG 49 HD3 ARG 49 65.384 3.255 -16.355
7 HE ARG 49 HH12 ARG 49 66.704 5.727 -17.192
8 HH11 ARG 49 HH21 ARG 49 64.827 2.983 -18.283
9 HH12 ARG 49 HH22 ARG 49 64.189 3.834 -19.645
10 HD3 ARG 49 HXT ARG 49 66.798 4.001 -15.587
11 HH21 ARG 49 HXT ARG 49 65.855 6.788 -18.969
12 HH22 ARG 49 H1 ARG 49 64.764 5.964 -20.032
13 HA ARG 49 HB1 ARG 49 68.904 2.456 -19.298
No H/Q in entry = 13
Start of MODEL 2
1 H ASP 50 H ASP 50 71.929 1.730 -18.513
2 HA ASP 50 HB1 ASP 50 73.312 4.141 -17.901
3 HB3 ASP 50 HG3 ASP 50 74.181 1.828 -17.656
4 HB2 ASP 50 HG2 ASP 50 75.295 2.846 -18.559
No H/Q in entry = 4
Start of MODEL 2
1 H THR 51 H THR 51 75.012 5.111 -19.417
2 HG1 THR 51 HG21 THR 51 75.877 7.734 -19.487
3 HG21 THR 51 HG22 THR 51 74.950 7.737 -22.919
4 HG22 THR 51 HG23 THR 51 76.227 8.622 -22.083
5 HG23 THR 51 HXT THR 51 76.625 7.200 -23.045
6 HA THR 51 HB1 THR 51 73.835 6.011 -21.943
7 HB THR 51 HG12 THR 51 76.651 6.349 -20.866
No H/Q in entry = 7
Start of MODEL 2
1 H GLN 52 H GLN 52 75.090 5.769 -24.018
2 HB2 GLN 52 HG2 GLN 52 75.894 3.684 -26.809
3 HB3 GLN 52 HG3 GLN 52 74.478 4.417 -26.062
4 HE21 GLN 52 HE22 GLN 52 76.722 5.945 -28.940
5 HE22 GLN 52 HXT GLN 52 75.323 6.670 -29.574
6 HA GLN 52 HB1 GLN 52 75.720 2.953 -24.476
7 HG3 GLN 52 HD3 GLN 52 77.132 5.712 -26.707
8 HG2 GLN 52 HD2 GLN 52 75.990 6.449 -25.586
No H/Q in entry = 8
Start of MODEL 2
1 H PHE 53 H PHE 53 77.628 5.396 -23.198
2 HD1 PHE 53 HD2 PHE 53 78.360 6.510 -25.315
3 HD2 PHE 53 HE1 PHE 53 82.285 7.604 -23.863
4 HE1 PHE 53 HE2 PHE 53 78.746 7.863 -27.375
5 HE2 PHE 53 HZ PHE 53 82.669 8.957 -25.925
6 HZ PHE 53 HXT PHE 53 80.900 9.086 -27.681
7 HA PHE 53 HB1 PHE 53 80.152 4.333 -24.357
8 HB3 PHE 53 HG3 PHE 53 80.979 6.130 -22.617
9 HB2 PHE 53 HG2 PHE 53 79.297 6.624 -22.614
No H/Q in entry = 9
Start of MODEL 2
1 H GLN 54 H GLN 54 81.780 3.424 -22.903
2 HB2 GLN 54 HG2 GLN 54 83.490 2.431 -21.657
3 HB3 GLN 54 HG3 GLN 54 83.118 1.007 -20.685
4 HE21 GLN 54 HE22 GLN 54 83.245 -1.478 -23.835
5 HE22 GLN 54 HXT GLN 54 84.933 -1.335 -23.946
6 HA GLN 54 HB1 GLN 54 80.668 1.471 -21.087
7 HG3 GLN 54 HD3 GLN 54 82.263 1.424 -23.565
8 HG2 GLN 54 HD2 GLN 54 81.941 -0.009 -22.588
No H/Q in entry = 8
Start of MODEL 2
1 H ILE 55 H ILE 55 80.448 1.538 -18.872
2 HB ILE 55 HG12 ILE 55 79.091 2.201 -16.851
3 HG12 ILE 55 HG13 ILE 55 79.190 5.089 -17.777
4 HG13 ILE 55 HG21 ILE 55 78.989 3.735 -18.889
5 HG21 ILE 55 HG22 ILE 55 80.323 4.584 -15.466
6 HG22 ILE 55 HG23 ILE 55 78.600 4.240 -15.318
7 HD11 ILE 55 HD12 ILE 55 77.044 3.031 -17.295
8 HD12 ILE 55 HD13 ILE 55 77.115 4.704 -16.742
9 HG23 ILE 55 HXT ILE 55 79.787 3.060 -14.762
10 HD13 ILE 55 HXT ILE 55 76.771 4.349 -18.435
11 HA ILE 55 HB1 ILE 55 81.536 3.932 -17.416
No H/Q in entry = 11
Start of MODEL 2
1 H ALA 56 H ALA 56 82.839 3.503 -15.642
2 HA ALA 56 HB1 ALA 56 83.718 0.725 -15.226
3 HB1 ALA 56 HB2 ALA 56 85.234 2.717 -15.378
4 HB2 ALA 56 HB3 ALA 56 85.450 1.804 -13.885
5 HB3 ALA 56 HXT ALA 56 84.538 3.313 -13.871
No H/Q in entry = 5
Start of MODEL 2
1 HB2 PRO 57 HG2 PRO 57 83.017 -1.834 -10.702
2 HB3 PRO 57 HG3 PRO 57 81.345 -2.141 -11.200
3 HG2 PRO 57 HD2 PRO 57 83.471 -2.960 -12.634
4 HG3 PRO 57 HD3 PRO 57 81.918 -2.533 -13.366
5 HD2 PRO 57 HD3 PRO 57 84.462 -0.996 -13.304
6 HD3 PRO 57 HXT PRO 57 83.208 -1.077 -14.563
7 HA PRO 57 HB1 PRO 57 80.992 0.056 -11.732
No H/Q in entry = 7
Start of MODEL 2
1 H GLN 58 H GLN 58 80.929 0.731 -9.533
2 HB2 GLN 58 HG2 GLN 58 80.379 2.100 -7.762
3 HB3 GLN 58 HG3 GLN 58 81.556 3.151 -6.975
4 HE21 GLN 58 HE22 GLN 58 81.264 6.099 -7.972
5 HE22 GLN 58 HXT GLN 58 79.624 6.487 -7.765
6 HA GLN 58 HB1 GLN 58 83.289 2.287 -8.603
7 HG3 GLN 58 HD3 GLN 58 80.775 3.241 -9.904
8 HG2 GLN 58 HD2 GLN 58 81.996 4.264 -9.148
No H/Q in entry = 8
Start of MODEL 2
1 H SER 59 H SER 59 84.690 1.171 -7.307
2 HG SER 59 HXT SER 59 86.681 -0.751 -7.818
3 HA SER 59 HB1 SER 59 83.819 -1.203 -5.789
4 HB3 SER 59 HG3 SER 59 86.237 -1.359 -5.309
5 HB2 SER 59 HG2 SER 59 86.480 0.243 -5.999
No H/Q in entry = 5
Start of MODEL 2
1 H GLN 60 H GLN 60 84.756 2.150 -5.150
2 HB2 GLN 60 HG2 GLN 60 84.198 4.210 -4.137
3 HB3 GLN 60 HG3 GLN 60 84.690 4.453 -2.461
4 HE21 GLN 60 HE22 GLN 60 88.505 5.205 -3.393
5 HE22 GLN 60 HXT GLN 60 88.102 6.720 -4.045
6 HA GLN 60 HB1 GLN 60 85.165 1.978 -2.322
7 HG3 GLN 60 HD3 GLN 60 86.440 3.285 -4.646
8 HG2 GLN 60 HD2 GLN 60 86.925 3.558 -2.972
No H/Q in entry = 8
Start of MODEL 2
1 H ILE 61 H ILE 61 83.732 2.107 -0.591
2 HB ILE 61 HG12 ILE 61 82.435 1.510 1.379
3 HG12 ILE 61 HG13 ILE 61 83.210 -0.107 -0.313
4 HG13 ILE 61 HG21 ILE 61 82.324 -0.933 0.965
5 HG21 ILE 61 HG22 ILE 61 79.610 0.735 0.618
6 HG22 ILE 61 HG23 ILE 61 80.435 0.073 2.030
7 HD11 ILE 61 HD12 ILE 61 80.292 -0.929 -0.469
8 HD12 ILE 61 HD13 ILE 61 81.220 -0.160 -1.756
9 HG23 ILE 61 HXT ILE 61 80.126 1.806 1.923
10 HD13 ILE 61 HXT ILE 61 81.630 -1.792 -1.227
11 HA ILE 61 HB1 ILE 61 80.836 1.766 -1.195
No H/Q in entry = 11
Start of MODEL 2
1 H TYR 62 H TYR 62 79.262 3.200 -0.319
2 HD1 TYR 62 HD2 TYR 62 79.619 7.772 -1.166
3 HD2 TYR 62 HE1 TYR 62 77.742 4.147 -2.592
4 HE1 TYR 62 HE2 TYR 62 80.214 8.387 -3.511
5 HE2 TYR 62 HH TYR 62 78.338 4.762 -4.937
6 HH TYR 62 HXT TYR 62 80.575 7.193 -5.697
7 HA TYR 62 HB1 TYR 62 80.270 5.893 0.435
8 HB3 TYR 62 HG3 TYR 62 77.781 6.386 0.163
9 HB2 TYR 62 HG2 TYR 62 77.596 4.713 -0.330
No H/Q in entry = 9
Start of MODEL 2
1 H ASP 63 H ASP 63 80.597 6.193 2.599
2 HA ASP 63 HB1 ASP 63 79.700 4.710 4.795
3 HB3 ASP 63 HG3 ASP 63 80.025 7.718 4.713
4 HB2 ASP 63 HG2 ASP 63 81.384 6.595 4.660
No H/Q in entry = 4
Start of MODEL 2
1 H TYR 64 H TYR 64 78.028 7.448 3.214
2 HD1 TYR 64 HD2 TYR 64 74.183 9.930 4.091
3 HD2 TYR 64 HE1 TYR 64 75.465 8.253 7.866
4 HE1 TYR 64 HE2 TYR 64 72.060 10.690 5.148
5 HE2 TYR 64 HH TYR 64 73.338 9.017 8.919
6 HH TYR 64 HXT TYR 64 71.547 11.167 8.121
7 HA TYR 64 HB1 TYR 64 75.481 6.716 4.548
8 HB3 TYR 64 HG3 TYR 64 76.764 9.442 4.835
9 HB2 TYR 64 HG2 TYR 64 76.905 8.186 6.048
No H/Q in entry = 9
Start of MODEL 2
1 H ILE 65 H ILE 65 73.901 6.961 3.022
2 HB ILE 65 HG12 ILE 65 73.066 6.469 0.614
3 HG12 ILE 65 HG13 ILE 65 75.461 7.947 -0.537
4 HG13 ILE 65 HG21 ILE 65 75.551 6.684 0.689
5 HG21 ILE 65 HG22 ILE 65 73.204 8.914 -1.185
6 HG22 ILE 65 HG23 ILE 65 72.849 7.284 -1.757
7 HD11 ILE 65 HD12 ILE 65 74.153 5.309 -1.103
8 HD12 ILE 65 HD13 ILE 65 74.885 6.455 -2.224
9 HG23 ILE 65 HXT ILE 65 71.743 8.089 -0.642
10 HD13 ILE 65 HXT ILE 65 75.907 5.421 -1.226
11 HA ILE 65 HB1 ILE 65 74.125 9.278 1.117
No H/Q in entry = 11
Start of MODEL 2
1 H LEU 66 H LEU 66 72.426 10.659 1.307
2 HD11 LEU 66 HD12 LEU 66 69.883 11.789 4.870
3 HD12 LEU 66 HD13 LEU 66 68.259 12.475 4.877
4 HD13 LEU 66 HD21 LEU 66 68.529 10.856 4.233
5 HD21 LEU 66 HD22 LEU 66 69.696 14.373 2.155
6 HD22 LEU 66 HD23 LEU 66 68.228 14.349 3.132
7 HG LEU 66 HXT LEU 66 68.394 12.142 2.281
8 HD23 LEU 66 HXT LEU 66 69.807 14.256 3.912
9 HA LEU 66 HB1 LEU 66 70.025 9.890 2.865
10 HB3 LEU 66 HG3 LEU 66 70.794 12.500 1.518
11 HB2 LEU 66 HG2 LEU 66 71.294 12.046 3.148
No H/Q in entry = 11
Start of MODEL 2
1 H PHE 67 H PHE 67 67.997 9.586 1.934
2 HD1 PHE 67 HD2 PHE 67 68.093 8.922 -2.761
3 HD2 PHE 67 HE1 PHE 67 69.157 5.892 0.132
4 HE1 PHE 67 HE2 PHE 67 69.851 8.066 -4.298
5 HE2 PHE 67 HZ PHE 67 70.933 5.048 -1.404
6 HZ PHE 67 HXT PHE 67 71.280 6.136 -3.624
7 HA PHE 67 HB1 PHE 67 67.738 9.956 -1.027
8 HB3 PHE 67 HG3 PHE 67 66.460 7.629 -0.664
9 HB2 PHE 67 HG2 PHE 67 67.570 7.518 0.687
No H/Q in entry = 9
Start of MODEL 2
1 H ARG 68 H ARG 68 65.846 11.004 -1.495
2 HB2 ARG 68 HG2 ARG 68 64.138 12.364 -2.238
3 HB3 ARG 68 HG3 ARG 68 62.727 12.715 -1.241
4 HG2 ARG 68 HD2 ARG 68 64.259 13.482 0.580
5 HG3 ARG 68 HD3 ARG 68 65.622 13.245 -0.515
6 HD2 ARG 68 HD3 ARG 68 63.262 15.064 -1.122
7 HE ARG 68 HH12 ARG 68 64.325 14.720 -3.212
8 HH11 ARG 68 HH21 ARG 68 66.729 14.990 -0.683
9 HH12 ARG 68 HH22 ARG 68 68.048 14.995 -1.800
10 HD3 ARG 68 HXT ARG 68 64.818 15.626 -0.481
11 HH21 ARG 68 HXT ARG 68 66.062 14.728 -4.619
12 HH22 ARG 68 H1 ARG 68 67.678 14.848 -4.004
13 HA ARG 68 HB1 ARG 68 63.669 11.161 0.508
No H/Q in entry = 13
Start of MODEL 2
1 H GLY 69 H GLY 69 61.572 10.292 0.142
2 HA2 GLY 69 HA3 GLY 69 59.973 8.797 -0.701
3 HA3 GLY 69 HXT GLY 69 61.336 7.843 -1.282
No H/Q in entry = 3
Start of MODEL 2
1 H SER 70 H SER 70 60.929 11.146 -2.373
2 HG SER 70 HXT SER 70 60.117 13.373 -2.657
3 HA SER 70 HB1 SER 70 59.253 10.671 -4.660
4 HB3 SER 70 HG3 SER 70 60.029 12.901 -5.318
5 HB2 SER 70 HG2 SER 70 61.381 12.783 -4.196
No H/Q in entry = 5
Start of MODEL 2
1 H ASP 71 H ASP 71 62.798 10.594 -4.245
2 HA ASP 71 HB1 ASP 71 63.266 10.339 -7.135
3 HB3 ASP 71 HG3 ASP 71 64.785 11.588 -5.648
4 HB2 ASP 71 HG2 ASP 71 65.635 10.253 -6.421
No H/Q in entry = 4
Start of MODEL 2
1 H ILE 72 H ILE 72 63.211 8.165 -4.328
2 HB ILE 72 HG12 ILE 72 63.992 6.437 -3.184
3 HG12 ILE 72 HG13 ILE 72 66.007 4.951 -4.838
4 HG13 ILE 72 HG21 ILE 72 65.822 6.685 -5.098
5 HG21 ILE 72 HG22 ILE 72 64.086 3.666 -4.428
6 HG22 ILE 72 HG23 ILE 72 64.512 4.051 -2.762
7 HD11 ILE 72 HD12 ILE 72 66.238 5.474 -2.362
8 HD12 ILE 72 HD13 ILE 72 67.568 6.032 -3.380
9 HG23 ILE 72 HXT ILE 72 62.850 4.248 -3.315
10 HD13 ILE 72 HXT ILE 72 66.345 7.172 -2.816
11 HA ILE 72 HB1 ILE 72 63.841 5.870 -6.134
No H/Q in entry = 11
Start of MODEL 2
1 H LYS 73 H LYS 73 62.367 4.168 -6.404
2 HB2 LYS 73 HG2 LYS 73 60.598 4.911 -8.258
3 HB3 LYS 73 HG3 LYS 73 60.677 3.164 -8.016
4 HG2 LYS 73 HG3 LYS 73 58.224 3.120 -7.645
5 HG3 LYS 73 HD2 LYS 73 58.160 4.856 -7.951
6 HD2 LYS 73 HD3 LYS 73 59.188 4.422 -10.209
7 HE2 LYS 73 HE3 LYS 73 57.027 3.202 -11.074
8 HE3 LYS 73 HZ1 LYS 73 56.499 3.339 -9.384
9 HZ1 LYS 73 HZ2 LYS 73 57.046 5.700 -9.450
10 HZ2 LYS 73 HZ3 LYS 73 57.504 5.565 -11.081
11 HD3 LYS 73 HXT LYS 73 59.009 2.695 -9.897
12 HZ3 LYS 73 HXT LYS 73 55.885 5.320 -10.627
13 HA LYS 73 HB1 LYS 73 59.558 5.079 -5.954
No H/Q in entry = 13
Start of MODEL 2
1 H ASP 74 H ASP 74 61.759 2.423 -5.236
2 HA ASP 74 HB1 ASP 74 59.507 1.014 -3.895
3 HB3 ASP 74 HG3 ASP 74 61.267 -0.348 -5.956
4 HB2 ASP 74 HG2 ASP 74 59.659 0.283 -6.316
No H/Q in entry = 4
Start of MODEL 2
1 H ILE 75 H ILE 75 60.162 0.034 -2.045
2 HB ILE 75 HG12 ILE 75 62.476 1.544 -0.632
3 HG12 ILE 75 HG13 ILE 75 62.764 -0.549 1.534
4 HG13 ILE 75 HG21 ILE 75 64.082 -0.145 0.433
5 HG21 ILE 75 HG22 ILE 75 60.469 -0.099 0.942
6 HG22 ILE 75 HG23 ILE 75 60.866 1.594 1.242
7 HD11 ILE 75 HD12 ILE 75 63.559 2.326 1.134
8 HD12 ILE 75 HD13 ILE 75 62.775 1.575 2.524
9 HG23 ILE 75 HXT ILE 75 60.077 1.125 -0.265
10 HD13 ILE 75 HXT ILE 75 64.492 1.302 2.224
11 HA ILE 75 HB1 ILE 75 63.063 -0.622 -1.693
No H/Q in entry = 11
Start of MODEL 2
1 H ARG 76 H ARG 76 63.424 -2.559 -0.554
2 HB2 ARG 76 HG2 ARG 76 62.767 -4.946 -1.587
3 HB3 ARG 76 HG3 ARG 76 61.747 -5.994 -0.603
4 HG2 ARG 76 HD2 ARG 76 59.810 -4.461 -1.129
5 HG3 ARG 76 HD3 ARG 76 60.861 -3.631 -2.277
6 HD2 ARG 76 HD3 ARG 76 61.237 -5.805 -3.458
7 HE ARG 76 HH12 ARG 76 59.428 -4.721 -4.542
8 HH11 ARG 76 HH21 ARG 76 58.401 -5.919 -1.418
9 HH12 ARG 76 HH22 ARG 76 56.742 -5.528 -1.703
10 HD3 ARG 76 HXT ARG 76 60.062 -6.562 -2.365
11 HH21 ARG 76 HXT ARG 76 57.272 -4.232 -4.865
12 HH22 ARG 76 H1 ARG 76 56.107 -4.583 -3.631
13 HA ARG 76 HB1 ARG 76 61.123 -3.927 0.748
No H/Q in entry = 13
Start of MODEL 2
1 H VAL 77 H VAL 77 61.789 -5.080 2.537
2 HB VAL 77 HG12 VAL 77 62.179 -6.050 4.710
3 HG11 VAL 77 HG12 VAL 77 64.391 -6.941 5.524
4 HG12 VAL 77 HG13 VAL 77 64.889 -5.277 5.830
5 HG13 VAL 77 HG21 VAL 77 63.532 -5.970 6.719
6 HG21 VAL 77 HG22 VAL 77 63.532 -3.361 4.550
7 HG22 VAL 77 HG23 VAL 77 61.812 -3.741 4.452
8 HG23 VAL 77 HXT VAL 77 62.645 -3.823 6.005
9 HA VAL 77 HB1 VAL 77 64.654 -5.032 3.262
No H/Q in entry = 9
Start of MODEL 2
1 H VAL 78 H VAL 78 65.937 -6.909 3.507
2 HB VAL 78 HG12 VAL 78 67.684 -8.547 3.168
3 HG11 VAL 78 HG12 VAL 78 66.696 -10.834 1.457
4 HG12 VAL 78 HG13 VAL 78 68.377 -10.299 1.409
5 HG13 VAL 78 HG21 VAL 78 67.689 -10.909 2.914
6 HG21 VAL 78 HG22 VAL 78 66.407 -8.323 0.424
7 HG22 VAL 78 HG23 VAL 78 67.000 -7.002 1.433
8 HG23 VAL 78 HXT VAL 78 68.138 -8.141 0.713
9 HA VAL 78 HB1 VAL 78 64.941 -9.344 2.120
No H/Q in entry = 9
Start of MODEL 2
1 H ASN 79 H ASN 79 64.478 -11.223 3.226
2 HD21 ASN 79 HD22 ASN 79 60.973 -11.993 6.610
3 HD22 ASN 79 HXT ASN 79 60.635 -10.341 6.410
4 HA ASN 79 HB1 ASN 79 64.857 -11.214 6.196
5 HB3 ASN 79 HG3 ASN 79 63.005 -12.939 6.040
6 HB2 ASN 79 HG2 ASN 79 62.949 -12.623 4.306
No H/Q in entry = 6
Start of MODEL 2
1 H ASN 80 H ASN 80 66.478 -12.521 6.923
2 HD21 ASN 80 HD22 ASN 80 70.654 -14.731 7.797
3 HD22 ASN 80 HXT ASN 80 71.304 -15.912 6.766
4 HA ASN 80 HB1 ASN 80 67.221 -14.942 5.307
5 HB3 ASN 80 HG3 ASN 80 68.902 -13.412 7.312
6 HB2 ASN 80 HG2 ASN 80 68.856 -13.003 5.597
No H/Q in entry = 6
Start of MODEL 2
1 H HIS 81 H HIS 81 66.074 -16.596 6.314
2 HD1 HIS 81 HD2 HIS 81 64.815 -16.005 11.213
3 HD2 HIS 81 HE1 HIS 81 62.875 -19.334 9.618
4 HE1 HIS 81 HE2 HIS 81 63.785 -17.239 13.170
5 HA HIS 81 HB1 HIS 81 66.547 -16.990 9.246
6 HB3 HIS 81 HG3 HIS 81 63.930 -17.500 7.828
7 HB2 HIS 81 HG2 HIS 81 64.304 -15.945 8.547
No H/Q in entry = 7
Start of MODEL 2
1 H THR 82 H THR 82 65.876 -19.329 9.847
2 HG1 THR 82 HG21 THR 82 66.406 -21.844 11.266
3 HG21 THR 82 HG22 THR 82 68.553 -19.750 9.152
4 HG22 THR 82 HG23 THR 82 69.424 -20.927 10.134
5 HG23 THR 82 HXT THR 82 69.161 -21.234 8.418
6 HA THR 82 HB1 THR 82 66.688 -21.196 7.638
7 HB THR 82 HG12 THR 82 67.555 -22.572 9.568
No H/Q in entry = 7
Start of MODEL 2
1 H LEU 83 H LEU 83 65.725 -23.398 7.824
2 HD11 LEU 83 HD12 LEU 83 62.407 -24.131 4.672
3 HD12 LEU 83 HD13 LEU 83 61.663 -22.534 4.597
4 HD13 LEU 83 HD21 LEU 83 63.420 -22.688 4.613
5 HD21 LEU 83 HD22 LEU 83 60.624 -24.071 6.766
6 HD22 LEU 83 HD23 LEU 83 61.032 -22.983 8.093
7 HG LEU 83 HXT LEU 83 62.935 -22.104 6.836
8 HD23 LEU 83 HXT LEU 83 60.460 -22.327 6.558
9 HA LEU 83 HB1 LEU 83 62.968 -23.318 9.016
10 HB3 LEU 83 HG3 LEU 83 62.667 -25.091 7.096
11 HB2 LEU 83 HG2 LEU 83 64.155 -24.386 6.463
No H/Q in entry = 11
Start of MODEL 2
1 HB2 PRO 84 HG2 PRO 84 61.682 -28.490 11.036
2 HB3 PRO 84 HG3 PRO 84 61.765 -27.076 12.104
3 HG2 PRO 84 HD2 PRO 84 60.590 -27.330 9.389
4 HG3 PRO 84 HD3 PRO 84 60.034 -26.386 10.779
5 HD2 PRO 84 HD3 PRO 84 61.330 -25.297 8.648
6 HD3 PRO 84 HXT PRO 84 61.397 -24.617 10.288
7 HA PRO 84 HB1 PRO 84 63.937 -26.932 11.349
No H/Q in entry = 7
Start of MODEL 3
1 H1 GLY -3 H1 GLY -3 49.188 -17.633 23.565
2 H2 GLY -3 H2 GLY -3 50.368 -18.565 24.355
3 H3 GLY -3 H3 GLY -3 48.954 -19.302 23.780
4 HA2 GLY -3 HA3 GLY -3 49.001 -18.908 26.234
5 HA3 GLY -3 HXT GLY -3 47.608 -18.238 25.384
No H/Q in entry = 5
Start of MODEL 3
1 H ALA -2 H ALA -2 51.000 -17.190 25.904
2 HA ALA -2 HB1 ALA -2 50.011 -14.428 26.440
3 HB1 ALA -2 HB2 ALA -2 51.349 -14.398 28.528
4 HB2 ALA -2 HB3 ALA -2 51.794 -16.083 28.259
5 HB3 ALA -2 HXT ALA -2 50.114 -15.656 28.584
No H/Q in entry = 5
Start of MODEL 3
1 H MET -1 H MET -1 51.730 -12.824 26.228
2 HB2 MET -1 HG2 MET -1 52.730 -11.027 25.192
3 HB3 MET -1 HG3 MET -1 54.069 -11.208 24.058
4 HE1 MET -1 HE2 MET -1 53.612 -10.461 21.723
5 HE2 MET -1 HE3 MET -1 55.035 -11.438 22.076
6 HE3 MET -1 HXT MET -1 54.351 -11.445 20.452
7 HA MET -1 HB1 MET -1 53.913 -13.709 24.408
8 HG3 MET -1 HD3 MET -1 51.765 -11.039 22.994
9 HG2 MET -1 HD2 MET -1 51.412 -12.614 23.702
No H/Q in entry = 9
Start of MODEL 3
1 H ALA 0 H ALA 0 56.069 -13.567 24.995
2 HA ALA 0 HB1 ALA 0 56.804 -13.369 27.781
3 HB1 ALA 0 HB2 ALA 0 57.990 -14.711 26.070
4 HB2 ALA 0 HB3 ALA 0 59.091 -13.579 26.855
5 HB3 ALA 0 HXT ALA 0 58.468 -13.229 25.243
No H/Q in entry = 5
Start of MODEL 3
1 H MET 1 H MET 1 56.856 -11.077 25.081
2 HB2 MET 1 HG2 MET 1 58.134 -9.363 23.953
3 HB3 MET 1 HG3 MET 1 58.659 -7.899 24.787
4 HE1 MET 1 HE2 MET 1 62.342 -10.305 25.761
5 HE2 MET 1 HE3 MET 1 62.246 -11.303 24.312
6 HE3 MET 1 HXT MET 1 63.347 -9.919 24.366
7 HA MET 1 HB1 MET 1 57.869 -8.952 26.948
8 HG3 MET 1 HD3 MET 1 59.672 -10.713 25.287
9 HG2 MET 1 HD2 MET 1 60.133 -9.300 26.236
No H/Q in entry = 9
Start of MODEL 3
1 H SER 2 H SER 2 56.816 -6.893 26.821
2 HG SER 2 HXT SER 2 54.484 -5.955 28.579
3 HA SER 2 HB1 SER 2 53.979 -6.914 26.343
4 HB3 SER 2 HG3 SER 2 54.176 -4.522 26.853
5 HB2 SER 2 HG2 SER 2 55.912 -4.583 26.557
No H/Q in entry = 5
Start of MODEL 3
1 H GLY 3 H GLY 3 56.735 -5.837 24.383
2 HA2 GLY 3 HA3 GLY 3 55.842 -4.292 22.387
3 HA3 GLY 3 HXT GLY 3 54.977 -5.780 22.001
No H/Q in entry = 3
Start of MODEL 3
1 H GLY 4 H GLY 4 56.455 -5.339 19.991
2 HA2 GLY 4 HA3 GLY 4 58.089 -6.527 18.720
3 HA3 GLY 4 HXT GLY 4 58.763 -7.159 20.223
No H/Q in entry = 3
Start of MODEL 3
1 H LEU 5 H LEU 5 60.710 -6.378 18.706
2 HD11 LEU 5 HD12 LEU 5 61.953 -2.545 21.909
3 HD12 LEU 5 HD13 LEU 5 63.217 -1.431 21.386
4 HD13 LEU 5 HD21 LEU 5 61.897 -1.843 20.292
5 HD21 LEU 5 HD22 LEU 5 64.040 -4.107 22.438
6 HD22 LEU 5 HD23 LEU 5 65.114 -4.498 21.095
7 HG LEU 5 HXT LEU 5 63.794 -3.126 19.577
8 HD23 LEU 5 HXT LEU 5 65.058 -2.854 21.729
9 HA LEU 5 HB1 LEU 5 61.280 -3.493 18.921
10 HB3 LEU 5 HG3 LEU 5 63.045 -5.507 20.341
11 HB2 LEU 5 HG2 LEU 5 61.742 -4.652 21.167
No H/Q in entry = 11
Start of MODEL 3
1 HB2 PRO 6 HG2 PRO 6 62.902 -3.384 13.622
2 HB3 PRO 6 HG3 PRO 6 61.679 -4.654 13.813
3 HG2 PRO 6 HD2 PRO 6 61.797 -1.945 15.022
4 HG3 PRO 6 HD3 PRO 6 60.400 -2.868 14.449
5 HD2 PRO 6 HD3 PRO 6 61.035 -2.599 17.079
6 HD3 PRO 6 HXT PRO 6 60.182 -4.013 16.419
7 HA PRO 6 HB1 PRO 6 63.197 -5.575 15.280
No H/Q in entry = 7
Start of MODEL 3
1 H GLU 7 H GLU 7 65.361 -5.565 15.876
2 HB2 GLU 7 HG2 GLU 7 67.661 -5.941 15.532
3 HB3 GLU 7 HG3 GLU 7 68.798 -4.827 16.292
4 HA GLU 7 HB1 GLU 7 66.863 -3.278 16.749
5 HG3 GLU 7 HD3 GLU 7 66.403 -6.121 17.629
6 HG2 GLU 7 HD2 GLU 7 67.470 -4.943 18.393
No H/Q in entry = 6
Start of MODEL 3
1 H LEU 8 H LEU 8 68.052 -1.773 15.590
2 HD11 LEU 8 HD12 LEU 8 69.182 2.415 14.606
3 HD12 LEU 8 HD13 LEU 8 67.714 2.588 15.568
4 HD13 LEU 8 HD21 LEU 8 69.027 1.559 16.140
5 HD21 LEU 8 HD22 LEU 8 67.597 1.594 12.600
6 HD22 LEU 8 HD23 LEU 8 66.370 0.407 13.039
7 HG LEU 8 HXT LEU 8 67.288 0.132 15.234
8 HD23 LEU 8 HXT LEU 8 66.347 2.010 13.773
9 HA LEU 8 HB1 LEU 8 67.581 -1.300 12.800
10 HB3 LEU 8 HG3 LEU 8 69.454 0.348 13.129
11 HB2 LEU 8 HG2 LEU 8 69.731 -0.357 14.721
No H/Q in entry = 11
Start of MODEL 3
1 H GLY 9 H GLY 9 69.899 -0.862 11.504
2 HA2 GLY 9 HA3 GLY 9 71.833 -3.026 11.773
3 HA3 GLY 9 HXT GLY 9 71.806 -1.797 10.529
No H/Q in entry = 3
Start of MODEL 3
1 H SER 10 H SER 10 68.740 -3.084 10.483
2 HG SER 10 HXT SER 10 66.833 -3.913 10.922
3 HA SER 10 HB1 SER 10 69.029 -5.595 9.153
4 HB3 SER 10 HG3 SER 10 66.716 -5.130 8.415
5 HB2 SER 10 HG2 SER 10 66.916 -3.436 8.856
No H/Q in entry = 5
Start of MODEL 3
1 H LYS 11 H LYS 11 69.300 -6.113 6.962
2 HB2 LYS 11 HG2 LYS 11 70.938 -5.954 3.776
3 HB3 LYS 11 HG3 LYS 11 71.316 -6.388 5.440
4 HG2 LYS 11 HG3 LYS 11 69.010 -7.444 5.583
5 HG3 LYS 11 HD2 LYS 11 68.865 -7.185 3.846
6 HD2 LYS 11 HD3 LYS 11 71.204 -8.660 5.067
7 HE2 LYS 11 HE3 LYS 11 70.099 -9.068 2.302
8 HE3 LYS 11 HZ1 LYS 11 71.092 -7.633 2.626
9 HZ1 LYS 11 HZ2 LYS 11 72.768 -9.066 3.625
10 HZ2 LYS 11 HZ3 LYS 11 71.831 -10.439 3.274
11 HD3 LYS 11 HXT LYS 11 69.725 -9.482 4.568
12 HZ3 LYS 11 HXT LYS 11 72.484 -9.515 2.011
13 HA LYS 11 HB1 LYS 11 70.460 -4.046 5.228
No H/Q in entry = 13
Start of MODEL 3
1 H ILE 12 H ILE 12 69.336 -2.891 3.714
2 HB ILE 12 HG12 ILE 12 67.628 -1.056 3.273
3 HG12 ILE 12 HG13 ILE 12 65.548 -2.620 4.836
4 HG13 ILE 12 HG21 ILE 12 67.222 -2.435 5.358
5 HG21 ILE 12 HG22 ILE 12 65.925 -1.325 1.455
6 HG22 ILE 12 HG23 ILE 12 64.842 -2.076 2.627
7 HD11 ILE 12 HD12 ILE 12 66.943 0.031 5.322
8 HD12 ILE 12 HD13 ILE 12 65.254 -0.182 4.863
9 HG23 ILE 12 HXT ILE 12 65.322 -0.390 2.824
10 HD13 ILE 12 HXT ILE 12 65.816 -0.740 6.438
11 HA ILE 12 HB1 ILE 12 66.639 -3.902 2.860
No H/Q in entry = 11
Start of MODEL 3
1 H SER 13 H SER 13 66.227 -3.881 0.663
2 HG SER 13 HXT SER 13 68.326 -4.486 -3.133
3 HA SER 13 HB1 SER 13 68.415 -3.011 -1.174
4 HB3 SER 13 HG3 SER 13 65.931 -4.704 -1.625
5 HB2 SER 13 HG2 SER 13 67.523 -5.350 -1.237
No H/Q in entry = 5
Start of MODEL 3
1 H LEU 14 H LEU 14 67.992 -1.399 -2.721
2 HD11 LEU 14 HD12 LEU 14 65.364 1.597 -0.066
3 HD12 LEU 14 HD13 LEU 14 64.556 3.026 -0.709
4 HD13 LEU 14 HD21 LEU 14 64.349 1.465 -1.503
5 HD21 LEU 14 HD22 LEU 14 67.737 3.103 -0.468
6 HD22 LEU 14 HD23 LEU 14 67.674 3.995 -1.988
7 HG LEU 14 HXT LEU 14 65.927 2.685 -2.836
8 HD23 LEU 14 HXT LEU 14 66.420 4.236 -0.771
9 HA LEU 14 HB1 LEU 14 65.362 0.017 -2.499
10 HB3 LEU 14 HG3 LEU 14 68.054 1.386 -2.456
11 HB2 LEU 14 HG2 LEU 14 67.342 0.756 -0.972
No H/Q in entry = 11
Start of MODEL 3
1 H ILE 15 H ILE 15 64.593 0.470 -4.535
2 HB ILE 15 HG12 ILE 15 63.497 0.054 -6.680
3 HG12 ILE 15 HG13 ILE 15 65.635 -2.020 -7.250
4 HG13 ILE 15 HG21 ILE 15 64.971 -1.753 -5.638
5 HG21 ILE 15 HG22 ILE 15 64.368 0.956 -8.861
6 HG22 ILE 15 HG23 ILE 15 65.394 -0.473 -8.990
7 HD11 ILE 15 HD12 ILE 15 62.659 -2.071 -6.719
8 HD12 ILE 15 HD13 ILE 15 63.529 -2.715 -8.112
9 HG23 ILE 15 HXT ILE 15 63.639 -0.643 -9.004
10 HD13 ILE 15 HXT ILE 15 63.659 -3.513 -6.544
11 HA ILE 15 HB1 ILE 15 66.516 0.428 -6.834
No H/Q in entry = 11
Start of MODEL 3
1 H SER 16 H SER 16 67.030 2.434 -7.588
2 HG SER 16 HXT SER 16 68.725 5.189 -6.117
3 HA SER 16 HB1 SER 16 65.355 4.780 -6.906
4 HB3 SER 16 HG3 SER 16 67.359 5.990 -7.741
5 HB2 SER 16 HG2 SER 16 68.065 4.448 -8.218
No H/Q in entry = 5
Start of MODEL 3
1 H LYS 17 H LYS 17 64.847 6.390 -8.590
2 HB2 LYS 17 HG2 LYS 17 63.214 7.623 -9.536
3 HB3 LYS 17 HG3 LYS 17 64.551 8.061 -10.600
4 HG2 LYS 17 HG3 LYS 17 63.135 7.517 -12.568
5 HG3 LYS 17 HD2 LYS 17 61.793 7.156 -11.481
6 HD2 LYS 17 HD3 LYS 17 61.975 9.489 -10.576
7 HE2 LYS 17 HE3 LYS 17 61.479 9.125 -13.553
8 HE3 LYS 17 HZ1 LYS 17 60.275 9.090 -12.249
9 HZ1 LYS 17 HZ2 LYS 17 60.898 11.366 -11.679
10 HZ2 LYS 17 HZ3 LYS 17 62.000 11.402 -12.971
11 HD3 LYS 17 HXT LYS 17 63.187 9.827 -11.812
12 HZ3 LYS 17 HXT LYS 17 60.334 11.274 -13.275
13 HA LYS 17 HB1 LYS 17 63.210 5.348 -10.623
No H/Q in entry = 13
Start of MODEL 3
1 H ALA 18 H ALA 18 66.659 5.676 -10.769
2 HA ALA 18 HB1 ALA 18 66.759 5.906 -13.712
3 HB1 ALA 18 HB2 ALA 18 69.282 5.662 -13.079
4 HB2 ALA 18 HB3 ALA 18 68.437 7.120 -12.562
5 HB3 ALA 18 HXT ALA 18 68.719 5.809 -11.412
No H/Q in entry = 5
Start of MODEL 3
1 H ASP 19 H ASP 19 65.651 3.446 -12.174
2 HA ASP 19 HB1 ASP 19 65.805 1.102 -12.194
3 HB3 ASP 19 HG3 ASP 19 66.765 0.218 -14.371
4 HB2 ASP 19 HG2 ASP 19 67.196 1.877 -14.779
No H/Q in entry = 4
Start of MODEL 3
1 H ILE 20 H ILE 20 67.867 2.631 -10.788
2 HB ILE 20 HG12 ILE 20 69.827 3.408 -9.464
3 HG12 ILE 20 HG13 ILE 20 71.197 3.139 -12.163
4 HG13 ILE 20 HG21 ILE 20 69.578 3.783 -11.931
5 HG21 ILE 20 HG22 ILE 20 72.342 1.919 -10.285
6 HG22 ILE 20 HG23 ILE 20 72.332 3.486 -9.477
7 HD11 ILE 20 HD12 ILE 20 70.589 5.486 -10.344
8 HD12 ILE 20 HD13 ILE 20 72.173 4.940 -10.893
9 HG23 ILE 20 HXT ILE 20 71.695 2.065 -8.651
10 HD13 ILE 20 HXT ILE 20 71.049 5.675 -12.035
11 HA ILE 20 HB1 ILE 20 70.293 0.906 -11.130
No H/Q in entry = 11
Start of MODEL 3
1 H ARG 21 H ARG 21 70.926 -0.475 -9.439
2 HB2 ARG 21 HG2 ARG 21 69.479 -2.667 -8.848
3 HB3 ARG 21 HG3 ARG 21 71.123 -2.670 -8.211
4 HG2 ARG 21 HD2 ARG 21 70.221 -3.108 -5.938
5 HG3 ARG 21 HD3 ARG 21 68.594 -3.173 -6.616
6 HD2 ARG 21 HD3 ARG 21 69.335 -5.051 -8.107
7 HE ARG 21 HH12 ARG 21 69.859 -6.008 -5.391
8 HH11 ARG 21 HH21 ARG 21 67.439 -4.646 -7.522
9 HH12 ARG 21 HH22 ARG 21 66.125 -5.309 -6.615
10 HD3 ARG 21 HXT ARG 21 70.901 -5.037 -7.274
11 HH21 ARG 21 HXT ARG 21 68.127 -6.843 -4.250
12 HH22 ARG 21 H1 ARG 21 66.507 -6.539 -4.783
13 HA ARG 21 HB1 ARG 21 68.944 -0.801 -7.221
No H/Q in entry = 13
Start of MODEL 3
1 H TYR 22 H TYR 22 69.575 0.109 -5.335
2 HD1 TYR 22 HD2 TYR 22 73.609 2.909 -4.215
3 HD2 TYR 22 HE1 TYR 22 69.686 2.660 -6.021
4 HE1 TYR 22 HE2 TYR 22 74.306 4.554 -5.956
5 HE2 TYR 22 HH TYR 22 70.385 4.310 -7.769
6 HH TYR 22 HXT TYR 22 73.069 6.250 -7.495
7 HA TYR 22 HB1 TYR 22 72.477 0.085 -4.581
8 HB3 TYR 22 HG3 TYR 22 71.710 1.915 -3.020
9 HB2 TYR 22 HG2 TYR 22 70.126 1.806 -3.756
No H/Q in entry = 9
Start of MODEL 3
1 H GLU 23 H GLU 23 72.979 -0.758 -2.490
2 HB2 GLU 23 HG2 GLU 23 71.644 -3.531 -2.335
3 HB3 GLU 23 HG3 GLU 23 73.197 -3.323 -1.525
4 HA GLU 23 HB1 GLU 23 70.699 -1.749 -0.818
5 HG3 GLU 23 HD3 GLU 23 70.593 -4.186 -0.234
6 HG2 GLU 23 HD2 GLU 23 72.081 -3.849 0.652
No H/Q in entry = 6
Start of MODEL 3
1 H GLY 24 H GLY 24 71.126 -1.547 1.414
2 HA2 GLY 24 HA3 GLY 24 72.862 0.448 2.291
3 HA3 GLY 24 HXT GLY 24 73.807 -1.033 2.432
No H/Q in entry = 3
Start of MODEL 3
1 H ARG 25 H ARG 25 73.661 -0.197 4.773
2 HB2 ARG 25 HG2 ARG 25 73.954 -0.043 7.065
3 HB3 ARG 25 HG3 ARG 25 73.003 -1.039 8.166
4 HG2 ARG 25 HD2 ARG 25 74.418 -2.169 5.741
5 HG3 ARG 25 HD3 ARG 25 75.164 -2.098 7.338
6 HD2 ARG 25 HD3 ARG 25 73.255 -3.420 8.260
7 HE ARG 25 HH12 ARG 25 74.315 -5.103 6.113
8 HH11 ARG 25 HH21 ARG 25 75.131 -3.318 9.011
9 HH12 ARG 25 HH22 ARG 25 76.518 -4.294 9.341
10 HD3 ARG 25 HXT ARG 25 72.599 -3.562 6.617
11 HH21 ARG 25 HXT ARG 25 76.120 -6.337 6.580
12 HH22 ARG 25 H1 ARG 25 77.075 -5.984 7.981
13 HA ARG 25 HB1 ARG 25 71.637 -1.802 6.198
No H/Q in entry = 13
Start of MODEL 3
1 H LEU 26 H LEU 26 69.844 -0.964 7.250
2 HD11 LEU 26 HD12 LEU 26 66.902 1.873 6.497
3 HD12 LEU 26 HD13 LEU 26 65.365 1.197 7.034
4 HD13 LEU 26 HD21 LEU 26 65.812 2.840 7.489
5 HD21 LEU 26 HD22 LEU 26 66.323 -0.011 10.176
6 HD22 LEU 26 HD23 LEU 26 65.238 1.365 9.977
7 HG LEU 26 HXT LEU 26 67.305 2.136 9.114
8 HD23 LEU 26 HXT LEU 26 65.170 0.017 8.842
9 HA LEU 26 HB1 LEU 26 68.902 1.720 6.888
10 HB3 LEU 26 HG3 LEU 26 68.222 -0.274 9.065
11 HB2 LEU 26 HG2 LEU 26 67.592 -0.350 7.421
No H/Q in entry = 11
Start of MODEL 3
1 H TYR 27 H TYR 27 69.867 3.523 7.835
2 HD1 TYR 27 HD2 TYR 27 73.169 3.825 11.178
3 HD2 TYR 27 HE1 TYR 27 71.995 7.561 9.342
4 HE1 TYR 27 HE2 TYR 27 74.566 5.073 12.827
5 HE2 TYR 27 HH TYR 27 73.392 8.808 10.994
6 HH TYR 27 HXT TYR 27 74.254 8.186 13.526
7 HA TYR 27 HB1 TYR 27 71.150 3.262 10.514
8 HB3 TYR 27 HG3 TYR 27 71.093 5.562 8.548
9 HB2 TYR 27 HG2 TYR 27 72.290 4.280 8.513
No H/Q in entry = 9
Start of MODEL 3
1 H THR 28 H THR 28 68.829 5.387 8.788
2 HG1 THR 28 HG21 THR 28 68.616 8.777 9.245
3 HG21 THR 28 HG22 THR 28 68.658 6.800 12.694
4 HG22 THR 28 HG23 THR 28 70.092 6.948 11.679
5 HG23 THR 28 HXT THR 28 69.358 8.389 12.383
6 HA THR 28 HB1 THR 28 67.261 5.739 11.276
7 HB THR 28 HG12 THR 28 67.497 8.288 10.934
No H/Q in entry = 7
Start of MODEL 3
1 H VAL 29 H VAL 29 65.155 6.654 10.844
2 HB VAL 29 HG12 VAL 29 64.172 4.697 8.527
3 HG11 VAL 29 HG12 VAL 29 63.739 5.041 10.974
4 HG12 VAL 29 HG13 VAL 29 62.127 5.627 10.563
5 HG13 VAL 29 HG21 VAL 29 62.578 3.961 10.203
6 HG21 VAL 29 HG22 VAL 29 61.791 6.430 7.945
7 HG22 VAL 29 HG23 VAL 29 62.636 5.301 6.888
8 HG23 VAL 29 HXT VAL 29 61.556 4.693 8.140
9 HA VAL 29 HB1 VAL 29 64.447 7.112 7.985
No H/Q in entry = 9
Start of MODEL 3
1 H ASP 30 H ASP 30 62.699 8.552 7.729
2 HA ASP 30 HB1 ASP 30 61.371 9.542 10.230
3 HB3 ASP 30 HG3 ASP 30 62.011 11.260 7.836
4 HB2 ASP 30 HG2 ASP 30 63.243 10.944 9.059
No H/Q in entry = 4
Start of MODEL 3
1 HB2 PRO 31 HG2 PRO 31 56.105 8.113 9.299
2 HB3 PRO 31 HG3 PRO 31 57.174 6.714 9.095
3 HG2 PRO 31 HD2 PRO 31 57.280 8.898 11.100
4 HG3 PRO 31 HD3 PRO 31 57.672 7.181 11.275
5 HD2 PRO 31 HD3 PRO 31 59.566 9.100 11.075
6 HD3 PRO 31 HXT PRO 31 59.803 7.447 10.467
7 HA PRO 31 HB1 PRO 31 58.152 7.938 7.423
No H/Q in entry = 7
Start of MODEL 3
1 H GLN 32 H GLN 32 57.846 10.795 9.528
2 HB2 GLN 32 HG2 GLN 32 55.935 12.033 10.558
3 HB3 GLN 32 HG3 GLN 32 57.237 13.153 10.152
4 HE21 GLN 32 HE22 GLN 32 54.830 16.381 10.284
5 HE22 GLN 32 HXT GLN 32 54.773 16.312 11.979
6 HA GLN 32 HB1 GLN 32 55.490 11.789 8.073
7 HG3 GLN 32 HD3 GLN 32 54.321 13.496 9.389
8 HG2 GLN 32 HD2 GLN 32 55.626 14.613 8.987
No H/Q in entry = 8
Start of MODEL 3
1 H GLU 33 H GLU 33 58.967 12.347 8.044
2 HB2 GLU 33 HG2 GLU 33 61.035 12.961 7.258
3 HB3 GLU 33 HG3 GLU 33 61.249 14.345 6.185
4 HA GLU 33 HB1 GLU 33 58.738 14.609 6.162
5 HG3 GLU 33 HD3 GLU 33 59.948 14.374 8.923
6 HG2 GLU 33 HD2 GLU 33 60.004 15.758 7.832
No H/Q in entry = 6
Start of MODEL 3
1 H CYS 34 H CYS 34 58.226 11.332 5.758
2 HG CYS 34 HXT CYS 34 56.200 10.251 3.306
3 HA CYS 34 HB1 CYS 34 58.467 9.802 3.980
4 HB3 CYS 34 HG3 CYS 34 58.326 11.085 1.724
5 HB2 CYS 34 HG2 CYS 34 58.228 12.535 2.723
No H/Q in entry = 5
Start of MODEL 3
1 H THR 35 H THR 35 60.988 10.490 5.218
2 HG1 THR 35 HG21 THR 35 63.464 12.365 6.166
3 HG21 THR 35 HG22 THR 35 61.785 12.696 2.882
4 HG22 THR 35 HG23 THR 35 62.757 13.942 3.662
5 HG23 THR 35 HXT THR 35 63.462 12.938 2.395
6 HA THR 35 HB1 THR 35 62.835 10.379 2.856
7 HB THR 35 HG12 THR 35 64.307 11.926 4.314
No H/Q in entry = 7
Start of MODEL 3
1 H ILE 36 H ILE 36 64.824 9.262 3.294
2 HB ILE 36 HG12 ILE 36 65.450 5.797 4.850
3 HG12 ILE 36 HG13 ILE 36 64.363 7.145 2.361
4 HG13 ILE 36 HG21 ILE 36 66.085 6.862 2.615
5 HG21 ILE 36 HG22 ILE 36 63.155 6.820 5.639
6 HG22 ILE 36 HG23 ILE 36 62.792 6.832 3.913
7 HD11 ILE 36 HD12 ILE 36 64.047 4.640 2.824
8 HD12 ILE 36 HD13 ILE 36 64.824 5.060 1.298
9 HG23 ILE 36 HXT ILE 36 63.176 5.313 4.723
10 HD13 ILE 36 HXT ILE 36 65.797 4.498 2.658
11 HA ILE 36 HB1 ILE 36 65.117 8.000 5.980
No H/Q in entry = 11
Start of MODEL 3
1 H ALA 37 H ALA 37 67.317 7.121 6.303
2 HA ALA 37 HB1 ALA 37 69.344 7.989 4.280
3 HB1 ALA 37 HB2 ALA 37 68.886 9.450 6.470
4 HB2 ALA 37 HB3 ALA 37 70.527 9.202 5.871
5 HB3 ALA 37 HXT ALA 37 69.920 8.229 7.214
No H/Q in entry = 5
Start of MODEL 3
1 H LEU 38 H LEU 38 70.698 6.330 3.803
2 HD11 LEU 38 HD12 LEU 38 69.536 3.662 1.176
3 HD12 LEU 38 HD13 LEU 38 69.334 2.021 1.788
4 HD13 LEU 38 HD21 LEU 38 67.951 3.113 1.718
5 HD21 LEU 38 HD22 LEU 38 69.577 1.713 4.418
6 HD22 LEU 38 HD23 LEU 38 68.695 2.972 5.283
7 HG LEU 38 HXT LEU 38 68.827 4.477 3.484
8 HD23 LEU 38 HXT LEU 38 67.905 2.075 3.986
9 HA LEU 38 HB1 LEU 38 70.700 3.930 5.600
10 HB3 LEU 38 HG3 LEU 38 71.323 2.761 3.467
11 HB2 LEU 38 HG2 LEU 38 71.213 4.309 2.629
No H/Q in entry = 11
Start of MODEL 3
1 H SER 39 H SER 39 72.732 2.994 6.137
2 HG SER 39 HXT SER 39 74.617 2.711 9.026
3 HA SER 39 HB1 SER 39 75.122 4.712 5.527
4 HB3 SER 39 HG3 SER 39 74.259 4.740 7.877
5 HB2 SER 39 HG2 SER 39 75.882 4.064 7.775
No H/Q in entry = 5
Start of MODEL 3
1 H SER 40 H SER 40 77.154 3.504 5.294
2 HG SER 40 HXT SER 40 76.104 0.204 6.604
3 HA SER 40 HB1 SER 40 78.305 1.909 3.987
4 HB3 SER 40 HG3 SER 40 78.061 1.006 6.369
5 HB2 SER 40 HG2 SER 40 78.409 -0.192 5.130
No H/Q in entry = 5
Start of MODEL 3
1 H VAL 41 H VAL 41 77.170 2.342 2.006
2 HB VAL 41 HG12 VAL 41 74.080 2.245 1.813
3 HG11 VAL 41 HG12 VAL 41 75.956 3.800 1.248
4 HG12 VAL 41 HG13 VAL 41 75.616 3.522 -0.463
5 HG13 VAL 41 HG21 VAL 41 74.409 4.299 0.562
6 HG21 VAL 41 HG22 VAL 41 74.091 1.167 -0.967
7 HG22 VAL 41 HG23 VAL 41 72.786 1.225 0.215
8 HG23 VAL 41 HXT VAL 41 73.202 2.667 -0.705
9 HA VAL 41 HB1 VAL 41 75.300 0.160 1.179
No H/Q in entry = 9
Start of MODEL 3
1 H ARG 42 H ARG 42 75.482 -0.412 -1.043
2 HB2 ARG 42 HG2 ARG 42 78.445 -1.292 -3.272
3 HB3 ARG 42 HG3 ARG 42 78.532 -1.055 -1.529
4 HG2 ARG 42 HD2 ARG 42 76.316 -2.243 -1.330
5 HG3 ARG 42 HD3 ARG 42 76.421 -2.612 -3.051
6 HD2 ARG 42 HD3 ARG 42 78.616 -3.752 -2.631
7 HE ARG 42 HH12 ARG 42 75.995 -4.647 -1.684
8 HH11 ARG 42 HH21 ARG 42 79.359 -5.546 -2.041
9 HH12 ARG 42 HH22 ARG 42 79.006 -7.238 -2.062
10 HD3 ARG 42 HXT ARG 42 78.375 -3.487 -0.894
11 HH21 ARG 42 HXT ARG 42 75.588 -6.843 -1.715
12 HH22 ARG 42 H1 ARG 42 76.896 -7.967 -1.879
13 HA ARG 42 HB1 ARG 42 77.619 0.960 -2.626
No H/Q in entry = 13
Start of MODEL 3
1 H SER 43 H SER 43 77.305 0.791 -4.937
2 HG SER 43 HXT SER 43 76.981 2.821 -7.421
3 HA SER 43 HB1 SER 43 74.500 0.092 -5.727
4 HB3 SER 43 HG3 SER 43 75.386 2.450 -5.942
5 HB2 SER 43 HG2 SER 43 74.832 1.760 -7.464
No H/Q in entry = 5
Start of MODEL 3
1 H PHE 44 H PHE 44 74.179 -1.383 -7.412
2 HD1 PHE 44 HD2 PHE 44 75.757 -5.765 -7.237
3 HD2 PHE 44 HE1 PHE 44 72.474 -3.037 -6.549
4 HE1 PHE 44 HE2 PHE 44 75.342 -6.824 -5.015
5 HE2 PHE 44 HZ PHE 44 72.059 -4.096 -4.327
6 HZ PHE 44 HXT PHE 44 73.493 -5.989 -3.560
7 HA PHE 44 HB1 PHE 44 76.438 -3.189 -7.950
8 HB3 PHE 44 HG3 PHE 44 74.587 -4.466 -9.114
9 HB2 PHE 44 HG2 PHE 44 73.505 -3.154 -8.684
No H/Q in entry = 9
Start of MODEL 3
1 H GLY 45 H GLY 45 74.344 -1.007 -9.862
2 HA2 GLY 45 HA3 GLY 45 75.617 -1.637 -12.388
3 HA3 GLY 45 HXT GLY 45 76.288 -0.182 -11.661
No H/Q in entry = 3
Start of MODEL 3
1 H THR 46 H THR 46 75.354 0.763 -13.696
2 HG1 THR 46 HG21 THR 46 75.250 3.875 -14.839
3 HG21 THR 46 HG22 THR 46 73.154 2.819 -11.931
4 HG22 THR 46 HG23 THR 46 74.674 3.676 -12.189
5 HG23 THR 46 HXT THR 46 73.147 4.445 -12.614
6 HA THR 46 HB1 THR 46 72.423 1.358 -13.415
7 HB THR 46 HG12 THR 46 73.141 3.489 -14.654
No H/Q in entry = 7
Start of MODEL 3
1 H GLU 47 H GLU 47 74.268 -0.644 -15.150
2 HB2 GLU 47 HG2 GLU 47 73.993 -2.532 -16.575
3 HB3 GLU 47 HG3 GLU 47 74.479 -2.311 -18.257
4 HA GLU 47 HB1 GLU 47 74.525 0.183 -17.791
5 HG3 GLU 47 HD3 GLU 47 76.037 -1.414 -15.814
6 HG2 GLU 47 HD2 GLU 47 76.507 -1.092 -17.483
No H/Q in entry = 6
Start of MODEL 3
1 H ASP 48 H ASP 48 71.550 -0.867 -16.224
2 HA ASP 48 HB1 ASP 48 70.097 -1.697 -18.565
3 HB3 ASP 48 HG3 ASP 48 68.123 -1.261 -17.055
4 HB2 ASP 48 HG2 ASP 48 69.236 -0.529 -15.899
No H/Q in entry = 4
Start of MODEL 3
1 H ARG 49 H ARG 49 69.746 1.384 -16.744
2 HB2 ARG 49 HG2 ARG 49 68.880 3.348 -16.244
3 HB3 ARG 49 HG3 ARG 49 68.437 4.593 -17.412
4 HG2 ARG 49 HD2 ARG 49 66.680 2.929 -18.275
5 HG3 ARG 49 HD3 ARG 49 66.986 2.015 -16.798
6 HD2 ARG 49 HD3 ARG 49 65.123 3.485 -16.335
7 HE ARG 49 HH12 ARG 49 66.633 5.328 -18.034
8 HH11 ARG 49 HH21 ARG 49 64.148 5.099 -15.579
9 HH12 ARG 49 HH22 ARG 49 63.402 6.583 -16.058
10 HD3 ARG 49 HXT ARG 49 66.531 4.189 -15.518
11 HH21 ARG 49 HXT ARG 49 65.635 7.240 -18.614
12 HH22 ARG 49 H1 ARG 49 64.233 7.784 -17.756
13 HA ARG 49 HB1 ARG 49 68.691 2.710 -19.183
No H/Q in entry = 13
Start of MODEL 3
1 H ASP 50 H ASP 50 71.733 2.022 -18.419
2 HA ASP 50 HB1 ASP 50 73.079 4.437 -17.759
3 HB3 ASP 50 HG3 ASP 50 73.997 2.135 -17.609
4 HB2 ASP 50 HG2 ASP 50 75.076 3.207 -18.493
No H/Q in entry = 4
Start of MODEL 3
1 H THR 51 H THR 51 74.753 5.470 -19.282
2 HG1 THR 51 HG21 THR 51 73.981 8.290 -20.037
3 HG21 THR 51 HG22 THR 51 74.500 8.343 -22.578
4 HG22 THR 51 HG23 THR 51 75.841 9.153 -21.769
5 HG23 THR 51 HXT THR 51 76.154 7.795 -22.849
6 HA THR 51 HB1 THR 51 73.458 6.511 -21.693
7 HB THR 51 HG12 THR 51 76.312 6.824 -20.715
No H/Q in entry = 7
Start of MODEL 3
1 H GLN 52 H GLN 52 74.628 6.429 -23.828
2 HB2 GLN 52 HG2 GLN 52 75.414 4.593 -26.800
3 HB3 GLN 52 HG3 GLN 52 73.944 5.111 -25.980
4 HE21 GLN 52 HE22 GLN 52 77.011 6.730 -28.264
5 HE22 GLN 52 HXT GLN 52 75.946 7.237 -29.484
6 HA GLN 52 HB1 GLN 52 75.262 3.658 -24.503
7 HG3 GLN 52 HD3 GLN 52 76.462 6.791 -26.015
8 HG2 GLN 52 HD2 GLN 52 74.833 7.297 -25.575
No H/Q in entry = 8
Start of MODEL 3
1 H PHE 53 H PHE 53 77.206 6.032 -23.146
2 HD1 PHE 53 HD2 PHE 53 78.387 7.000 -25.515
3 HD2 PHE 53 HE1 PHE 53 81.825 8.377 -23.282
4 HE1 PHE 53 HE2 PHE 53 79.048 8.457 -27.431
5 HE2 PHE 53 HZ PHE 53 82.486 9.831 -25.200
6 HZ PHE 53 HXT PHE 53 81.098 9.872 -27.273
7 HA PHE 53 HB1 PHE 53 79.687 5.011 -24.425
8 HB3 PHE 53 HG3 PHE 53 80.511 6.613 -22.434
9 HB2 PHE 53 HG2 PHE 53 78.863 7.196 -22.564
No H/Q in entry = 9
Start of MODEL 3
1 H GLN 54 H GLN 54 81.422 4.233 -22.837
2 HB2 GLN 54 HG2 GLN 54 82.294 1.929 -22.801
3 HB3 GLN 54 HG3 GLN 54 83.156 2.904 -21.610
4 HE21 GLN 54 HE22 GLN 54 83.404 -1.398 -21.842
5 HE22 GLN 54 HXT GLN 54 85.077 -1.165 -22.005
6 HA GLN 54 HB1 GLN 54 80.271 2.021 -21.288
7 HG3 GLN 54 HD3 GLN 54 81.939 0.163 -21.159
8 HG2 GLN 54 HD2 GLN 54 82.655 1.157 -19.889
No H/Q in entry = 8
Start of MODEL 3
1 H ILE 55 H ILE 55 79.975 2.000 -19.096
2 HB ILE 55 HG12 ILE 55 78.715 2.538 -16.998
3 HG12 ILE 55 HG13 ILE 55 78.965 5.483 -17.683
4 HG13 ILE 55 HG21 ILE 55 78.678 4.241 -18.901
5 HG21 ILE 55 HG22 ILE 55 79.908 3.344 -14.931
6 HG22 ILE 55 HG23 ILE 55 79.725 4.993 -15.529
7 HD11 ILE 55 HD12 ILE 55 76.720 3.517 -17.308
8 HD12 ILE 55 HD13 ILE 55 76.878 5.156 -16.676
9 HG23 ILE 55 HXT ILE 55 78.298 4.033 -15.136
10 HD13 ILE 55 HXT ILE 55 76.499 4.901 -18.379
11 HA ILE 55 HB1 ILE 55 81.248 4.170 -17.455
No H/Q in entry = 11
Start of MODEL 3
1 H ALA 56 H ALA 56 82.595 3.510 -15.800
2 HA ALA 56 HB1 ALA 56 83.230 0.637 -15.588
3 HB1 ALA 56 HB2 ALA 56 84.940 2.453 -15.750
4 HB2 ALA 56 HB3 ALA 56 85.132 1.481 -14.290
5 HB3 ALA 56 HXT ALA 56 84.384 3.076 -14.196
No H/Q in entry = 5
Start of MODEL 3
1 HB2 PRO 57 HG2 PRO 57 82.856 -1.887 -10.962
2 HB3 PRO 57 HG3 PRO 57 81.169 -2.218 -11.392
3 HG2 PRO 57 HD2 PRO 57 83.249 -3.026 -12.900
4 HG3 PRO 57 HD3 PRO 57 81.663 -2.624 -13.575
5 HD2 PRO 57 HD3 PRO 57 84.188 -1.057 -13.626
6 HD3 PRO 57 HXT PRO 57 82.888 -1.164 -14.834
7 HA PRO 57 HB1 PRO 57 80.771 -0.030 -11.928
No H/Q in entry = 7
Start of MODEL 3
1 H GLN 58 H GLN 58 80.787 0.657 -9.731
2 HB2 GLN 58 HG2 GLN 58 80.292 2.024 -7.946
3 HB3 GLN 58 HG3 GLN 58 81.484 3.095 -7.210
4 HE21 GLN 58 HE22 GLN 58 80.553 6.193 -9.569
5 HE22 GLN 58 HXT GLN 58 79.071 6.423 -8.773
6 HA GLN 58 HB1 GLN 58 83.161 2.252 -8.908
7 HG3 GLN 58 HD3 GLN 58 80.638 3.162 -10.122
8 HG2 GLN 58 HD2 GLN 58 81.802 4.246 -9.360
No H/Q in entry = 8
Start of MODEL 3
1 H SER 59 H SER 59 84.597 1.329 -7.512
2 HG SER 59 HXT SER 59 86.650 -1.221 -4.701
3 HA SER 59 HB1 SER 59 83.854 -1.119 -6.012
4 HB3 SER 59 HG3 SER 59 86.492 0.368 -6.166
5 HB2 SER 59 HG2 SER 59 85.969 -0.793 -7.382
No H/Q in entry = 5
Start of MODEL 3
1 H GLN 60 H GLN 60 84.716 2.264 -5.427
2 HB2 GLN 60 HG2 GLN 60 85.673 4.018 -4.230
3 HB3 GLN 60 HG3 GLN 60 83.951 4.397 -4.202
4 HE21 GLN 60 HE22 GLN 60 85.461 3.617 -0.086
5 HE22 GLN 60 HXT GLN 60 87.157 3.563 -0.123
6 HA GLN 60 HB1 GLN 60 85.196 2.136 -2.608
7 HG3 GLN 60 HD3 GLN 60 84.161 4.555 -1.663
8 HG2 GLN 60 HD2 GLN 60 84.961 5.833 -2.579
No H/Q in entry = 8
Start of MODEL 3
1 H ILE 61 H ILE 61 83.795 2.184 -0.851
2 HB ILE 61 HG12 ILE 61 82.567 1.520 1.130
3 HG12 ILE 61 HG13 ILE 61 83.318 -0.064 -0.598
4 HG13 ILE 61 HG21 ILE 61 82.474 -0.922 0.687
5 HG21 ILE 61 HG22 ILE 61 79.705 0.894 0.454
6 HG22 ILE 61 HG23 ILE 61 80.547 -0.056 1.679
7 HD11 ILE 61 HD12 ILE 61 80.399 -0.892 -0.707
8 HD12 ILE 61 HD13 ILE 61 81.318 -0.135 -2.008
9 HG23 ILE 61 HXT ILE 61 80.361 1.686 1.886
10 HD13 ILE 61 HXT ILE 61 81.721 -1.768 -1.478
11 HA ILE 61 HB1 ILE 61 80.897 1.775 -1.398
No H/Q in entry = 11
Start of MODEL 3
1 H TYR 62 H TYR 62 79.304 3.136 -0.432
2 HD1 TYR 62 HD2 TYR 62 79.282 3.896 -2.417
3 HD2 TYR 62 HE1 TYR 62 77.870 7.895 -1.575
4 HE1 TYR 62 HE2 TYR 62 79.771 4.564 -4.772
5 HE2 TYR 62 HH TYR 62 78.358 8.563 -3.929
6 HH TYR 62 HXT TYR 62 78.858 6.410 -6.393
7 HA TYR 62 HB1 TYR 62 80.246 5.872 0.249
8 HB3 TYR 62 HG3 TYR 62 77.717 6.255 0.076
9 HB2 TYR 62 HG2 TYR 62 77.604 4.580 -0.430
No H/Q in entry = 9
Start of MODEL 3
1 H ASP 63 H ASP 63 80.659 6.182 2.404
2 HA ASP 63 HB1 ASP 63 79.831 4.723 4.647
3 HB3 ASP 63 HG3 ASP 63 80.243 6.904 5.847
4 HB2 ASP 63 HG2 ASP 63 80.347 7.684 4.269
No H/Q in entry = 4
Start of MODEL 3
1 H TYR 64 H TYR 64 78.106 7.433 3.074
2 HD1 TYR 64 HD2 TYR 64 74.252 9.885 4.003
3 HD2 TYR 64 HE1 TYR 64 75.629 8.265 7.770
4 HE1 TYR 64 HE2 TYR 64 72.146 10.639 5.097
5 HE2 TYR 64 HH TYR 64 73.519 9.023 8.859
6 HH TYR 64 HXT TYR 64 71.728 11.068 8.196
7 HA TYR 64 HB1 TYR 64 75.589 6.693 4.459
8 HB3 TYR 64 HG3 TYR 64 76.858 9.431 4.705
9 HB2 TYR 64 HG2 TYR 64 77.031 8.185 5.924
No H/Q in entry = 9
Start of MODEL 3
1 H ILE 65 H ILE 65 73.972 6.935 2.968
2 HB ILE 65 HG12 ILE 65 73.088 6.427 0.575
3 HG12 ILE 65 HG13 ILE 65 75.476 7.894 -0.606
4 HG13 ILE 65 HG21 ILE 65 75.569 6.614 0.602
5 HG21 ILE 65 HG22 ILE 65 73.221 8.848 -1.259
6 HG22 ILE 65 HG23 ILE 65 72.807 7.216 -1.787
7 HD11 ILE 65 HD12 ILE 65 74.122 5.290 -1.206
8 HD12 ILE 65 HD13 ILE 65 74.893 6.432 -2.307
9 HG23 ILE 65 HXT ILE 65 71.756 8.073 -0.658
10 HD13 ILE 65 HXT ILE 65 75.879 5.357 -1.318
11 HA ILE 65 HB1 ILE 65 74.160 9.237 1.042
No H/Q in entry = 11
Start of MODEL 3
1 H LEU 66 H LEU 66 72.463 10.618 1.251
2 HD11 LEU 66 HD12 LEU 66 69.946 11.780 4.822
3 HD12 LEU 66 HD13 LEU 66 68.321 12.465 4.835
4 HD13 LEU 66 HD21 LEU 66 68.587 10.838 4.207
5 HD21 LEU 66 HD22 LEU 66 70.247 14.254 3.323
6 HD22 LEU 66 HD23 LEU 66 69.091 14.352 1.995
7 HG LEU 66 HXT LEU 66 68.435 12.099 2.240
8 HD23 LEU 66 HXT LEU 66 68.516 14.279 3.660
9 HA LEU 66 HB1 LEU 66 70.087 9.858 2.848
10 HB3 LEU 66 HG3 LEU 66 70.826 12.452 1.451
11 HB2 LEU 66 HG2 LEU 66 71.344 12.027 3.083
No H/Q in entry = 11
Start of MODEL 3
1 H PHE 67 H PHE 67 68.050 9.527 1.949
2 HD1 PHE 67 HD2 PHE 67 68.191 8.767 -2.681
3 HD2 PHE 67 HE1 PHE 67 69.039 5.714 0.259
4 HE1 PHE 67 HE2 PHE 67 69.934 7.810 -4.171
5 HE2 PHE 67 HZ PHE 67 70.801 4.767 -1.232
6 HZ PHE 67 HXT PHE 67 71.250 5.816 -3.452
7 HA PHE 67 HB1 PHE 67 67.763 9.826 -1.018
8 HB3 PHE 67 HG3 PHE 67 66.452 7.536 -0.581
9 HB2 PHE 67 HG2 PHE 67 67.552 7.449 0.780
No H/Q in entry = 9
Start of MODEL 3
1 H ARG 68 H ARG 68 65.913 10.953 -1.468
2 HB2 ARG 68 HG2 ARG 68 64.227 12.348 -2.211
3 HB3 ARG 68 HG3 ARG 68 62.817 12.711 -1.218
4 HG2 ARG 68 HD2 ARG 68 64.364 13.418 0.625
5 HG3 ARG 68 HD3 ARG 68 65.718 13.196 -0.484
6 HD2 ARG 68 HD3 ARG 68 63.366 15.027 -1.074
7 HE ARG 68 HH12 ARG 68 65.308 13.970 -2.760
8 HH11 ARG 68 HH21 ARG 68 64.574 17.187 -1.595
9 HH12 ARG 68 HH22 ARG 68 65.201 17.950 -3.014
10 HD3 ARG 68 HXT ARG 68 64.895 15.584 -0.369
11 HH21 ARG 68 HXT ARG 68 66.106 15.000 -4.574
12 HH22 ARG 68 H1 ARG 68 66.059 16.728 -4.683
13 HA ARG 68 HB1 ARG 68 63.719 11.119 0.516
No H/Q in entry = 13
Start of MODEL 3
1 H GLY 69 H GLY 69 61.627 10.257 0.133
2 HA2 GLY 69 HA3 GLY 69 60.021 8.789 -0.742
3 HA3 GLY 69 HXT GLY 69 61.381 7.838 -1.335
No H/Q in entry = 3
Start of MODEL 3
1 H SER 70 H SER 70 60.992 11.161 -2.371
2 HG SER 70 HXT SER 70 60.329 13.990 -5.646
3 HA SER 70 HB1 SER 70 59.318 10.738 -4.667
4 HB3 SER 70 HG3 SER 70 61.475 12.820 -4.197
5 HB2 SER 70 HG2 SER 70 59.849 12.909 -3.528
No H/Q in entry = 5
Start of MODEL 3
1 H ASP 71 H ASP 71 62.863 10.633 -4.255
2 HA ASP 71 HB1 ASP 71 63.328 10.408 -7.148
3 HB3 ASP 71 HG3 ASP 71 64.855 11.629 -5.641
4 HB2 ASP 71 HG2 ASP 71 65.696 10.302 -6.437
No H/Q in entry = 4
Start of MODEL 3
1 H ILE 72 H ILE 72 63.238 8.203 -4.371
2 HB ILE 72 HG12 ILE 72 63.936 6.461 -3.224
3 HG12 ILE 72 HG13 ILE 72 65.989 4.934 -4.787
4 HG13 ILE 72 HG21 ILE 72 65.845 6.667 -5.074
5 HG21 ILE 72 HG22 ILE 72 63.993 3.699 -4.488
6 HG22 ILE 72 HG23 ILE 72 64.407 4.052 -2.812
7 HD11 ILE 72 HD12 ILE 72 66.061 5.546 -2.286
8 HD12 ILE 72 HD13 ILE 72 67.494 5.917 -3.251
9 HG23 ILE 72 HXT ILE 72 62.759 4.305 -3.385
10 HD13 ILE 72 HXT ILE 72 66.355 7.196 -2.829
11 HA ILE 72 HB1 ILE 72 63.898 5.924 -6.181
No H/Q in entry = 11
Start of MODEL 3
1 H LYS 73 H LYS 73 62.435 4.229 -6.522
2 HB2 LYS 73 HG2 LYS 73 60.726 4.908 -8.449
3 HB3 LYS 73 HG3 LYS 73 60.832 3.172 -8.158
4 HG2 LYS 73 HG3 LYS 73 58.829 3.465 -9.408
5 HG3 LYS 73 HD2 LYS 73 58.301 3.247 -7.740
6 HD2 LYS 73 HD3 LYS 73 58.089 5.668 -7.456
7 HE2 LYS 73 HE3 LYS 73 56.297 4.163 -8.690
8 HE3 LYS 73 HZ1 LYS 73 56.101 5.927 -8.705
9 HZ1 LYS 73 HZ2 LYS 73 57.350 6.002 -10.783
10 HZ2 LYS 73 HZ3 LYS 73 57.480 4.311 -10.785
11 HD3 LYS 73 HXT LYS 73 58.700 5.933 -9.090
12 HZ3 LYS 73 HXT LYS 73 55.956 5.045 -10.949
13 HA LYS 73 HB1 LYS 73 59.608 5.127 -6.193
No H/Q in entry = 13
Start of MODEL 3
1 H ASP 74 H ASP 74 61.792 2.500 -5.337
2 HA ASP 74 HB1 ASP 74 59.518 1.142 -3.986
3 HB3 ASP 74 HG3 ASP 74 61.307 -0.331 -5.938
4 HB2 ASP 74 HG2 ASP 74 59.741 0.339 -6.398
No H/Q in entry = 4
Start of MODEL 3
1 H ILE 75 H ILE 75 60.155 0.330 -2.062
2 HB ILE 75 HG12 ILE 75 62.504 1.826 -0.708
3 HG12 ILE 75 HG13 ILE 75 62.697 -0.171 1.557
4 HG13 ILE 75 HG21 ILE 75 64.042 0.141 0.459
5 HG21 ILE 75 HG22 ILE 75 60.414 0.311 0.888
6 HG22 ILE 75 HG23 ILE 75 60.874 1.993 1.156
7 HD11 ILE 75 HD12 ILE 75 63.562 2.662 1.043
8 HD12 ILE 75 HD13 ILE 75 62.770 1.981 2.464
9 HG23 ILE 75 HXT ILE 75 60.094 1.521 -0.354
10 HD13 ILE 75 HXT ILE 75 64.480 1.665 2.172
11 HA ILE 75 HB1 ILE 75 63.036 -0.397 -1.667
No H/Q in entry = 11
Start of MODEL 3
1 H ARG 76 H ARG 76 63.348 -2.276 -0.420
2 HB2 ARG 76 HG2 ARG 76 62.710 -4.731 -1.315
3 HB3 ARG 76 HG3 ARG 76 61.590 -5.678 -0.336
4 HG2 ARG 76 HD2 ARG 76 59.756 -4.096 -1.057
5 HG3 ARG 76 HD3 ARG 76 60.907 -3.380 -2.186
6 HD2 ARG 76 HD3 ARG 76 61.261 -5.682 -3.174
7 HE ARG 76 HH12 ARG 76 59.244 -3.842 -3.671
8 HH11 ARG 76 HH21 ARG 76 59.432 -7.335 -3.813
9 HH12 ARG 76 HH22 ARG 76 58.238 -7.446 -5.058
10 HD3 ARG 76 HXT ARG 76 59.917 -6.249 -2.164
11 HH21 ARG 76 HXT ARG 76 57.707 -4.037 -5.280
12 HH22 ARG 76 H1 ARG 76 57.271 -5.601 -5.881
13 HA ARG 76 HB1 ARG 76 60.992 -3.546 0.890
No H/Q in entry = 13
Start of MODEL 3
1 H VAL 77 H VAL 77 61.613 -4.390 2.831
2 HB VAL 77 HG12 VAL 77 61.952 -5.076 5.124
3 HG11 VAL 77 HG12 VAL 77 63.991 -6.068 6.114
4 HG12 VAL 77 HG13 VAL 77 64.792 -4.499 6.030
5 HG13 VAL 77 HG21 VAL 77 63.400 -4.722 7.089
6 HG21 VAL 77 HG22 VAL 77 63.530 -2.575 4.549
7 HG22 VAL 77 HG23 VAL 77 61.782 -2.805 4.556
8 HG23 VAL 77 HXT VAL 77 62.668 -2.735 6.079
9 HA VAL 77 HB1 VAL 77 64.485 -4.518 3.531
No H/Q in entry = 9
Start of MODEL 3
1 H VAL 78 H VAL 78 65.588 -6.460 3.992
2 HB VAL 78 HG12 VAL 78 67.152 -8.290 3.877
3 HG11 VAL 78 HG12 VAL 78 65.909 -10.709 2.552
4 HG12 VAL 78 HG13 VAL 78 67.634 -10.360 2.439
5 HG13 VAL 78 HG21 VAL 78 66.896 -10.658 4.013
6 HG21 VAL 78 HG22 VAL 78 65.777 -8.342 1.177
7 HG22 VAL 78 HG23 VAL 78 66.608 -6.983 1.934
8 HG23 VAL 78 HXT VAL 78 67.531 -8.370 1.358
9 HA VAL 78 HB1 VAL 78 64.310 -8.962 3.021
No H/Q in entry = 9
Start of MODEL 3
1 H ASN 79 H ASN 79 63.584 -10.504 4.438
2 HD21 ASN 79 HD22 ASN 79 63.221 -8.910 8.394
3 HD22 ASN 79 HXT ASN 79 62.227 -7.600 7.973
4 HA ASN 79 HB1 ASN 79 64.345 -10.250 7.333
5 HB3 ASN 79 HG3 ASN 79 62.068 -11.295 7.677
6 HB2 ASN 79 HG2 ASN 79 61.810 -11.161 5.937
No H/Q in entry = 6
Start of MODEL 3
1 H ASN 80 H ASN 80 65.085 -12.108 8.356
2 HD21 ASN 80 HD22 ASN 80 68.798 -12.389 8.595
3 HD22 ASN 80 HXT ASN 80 69.268 -12.072 6.995
4 HA ASN 80 HB1 ASN 80 65.428 -14.551 6.661
5 HB3 ASN 80 HG3 ASN 80 67.209 -15.032 8.387
6 HB2 ASN 80 HG2 ASN 80 66.825 -13.481 9.134
No H/Q in entry = 6
Start of MODEL 3
1 H HIS 81 H HIS 81 64.344 -16.400 7.238
2 HD1 HIS 81 HD2 HIS 81 62.010 -15.257 6.073
3 HD2 HIS 81 HE1 HIS 81 59.817 -15.550 9.607
4 HE1 HIS 81 HE2 HIS 81 60.510 -13.218 6.157
5 HA HIS 81 HB1 HIS 81 62.974 -16.464 9.911
6 HB3 HIS 81 HG3 HIS 81 61.278 -17.832 8.677
7 HB2 HIS 81 HG2 HIS 81 62.186 -17.560 7.201
No H/Q in entry = 7
Start of MODEL 3
1 H THR 82 H THR 82 63.237 -18.340 11.124
2 HG1 THR 82 HG21 THR 82 66.399 -18.253 12.285
3 HG21 THR 82 HG22 THR 82 65.595 -21.970 12.090
4 HG22 THR 82 HG23 THR 82 67.008 -21.139 11.439
5 HG23 THR 82 HXT THR 82 66.630 -21.020 13.157
6 HA THR 82 HB1 THR 82 64.878 -20.546 9.912
7 HB THR 82 HG12 THR 82 64.818 -19.579 12.788
No H/Q in entry = 7
Start of MODEL 3
1 H LEU 83 H LEU 83 64.088 -22.623 10.218
2 HD11 LEU 83 HD12 LEU 83 59.783 -23.892 8.296
3 HD12 LEU 83 HD13 LEU 83 60.349 -25.561 8.213
4 HD13 LEU 83 HD21 LEU 83 58.800 -25.191 8.972
5 HD21 LEU 83 HD22 LEU 83 61.544 -26.539 10.390
6 HD22 LEU 83 HD23 LEU 83 60.836 -25.915 11.880
7 HG LEU 83 HXT LEU 83 59.913 -24.037 10.798
8 HD23 LEU 83 HXT LEU 83 59.802 -26.639 10.648
9 HA LEU 83 HB1 LEU 83 61.517 -22.899 11.736
10 HB3 LEU 83 HG3 LEU 83 62.590 -24.790 9.649
11 HB2 LEU 83 HG2 LEU 83 61.813 -23.281 9.171
No H/Q in entry = 11
Start of MODEL 3
1 HB2 PRO 84 HG2 PRO 84 61.886 -25.654 16.084
2 HB3 PRO 84 HG3 PRO 84 63.451 -24.931 16.498
3 HG2 PRO 84 HD2 PRO 84 61.207 -23.476 16.178
4 HG3 PRO 84 HD3 PRO 84 62.824 -22.852 15.818
5 HD2 PRO 84 HD3 PRO 84 60.700 -23.782 13.951
6 HD3 PRO 84 HXT PRO 84 61.888 -22.471 13.761
7 HA PRO 84 HB1 PRO 84 64.297 -25.334 14.411
No H/Q in entry = 7
Start of MODEL 4
1 H1 GLY -3 H1 GLY -3 42.130 -1.022 24.444
2 H2 GLY -3 H2 GLY -3 42.149 -1.043 26.139
3 H3 GLY -3 H3 GLY -3 43.598 -0.832 25.278
4 HA2 GLY -3 HA3 GLY -3 41.929 -3.282 25.404
5 HA3 GLY -3 HXT GLY -3 43.554 -3.066 26.056
No H/Q in entry = 5
Start of MODEL 4
1 H ALA -2 H ALA -2 45.017 -4.091 24.788
2 HA ALA -2 HB1 ALA -2 44.961 -3.653 21.848
3 HB1 ALA -2 HB2 ALA -2 47.013 -4.970 23.656
4 HB2 ALA -2 HB3 ALA -2 46.988 -3.250 23.270
5 HB3 ALA -2 HXT ALA -2 47.270 -4.436 21.996
No H/Q in entry = 5
Start of MODEL 4
1 H MET -1 H MET -1 44.245 -5.240 20.490
2 HB2 MET -1 HG2 MET -1 43.614 -6.421 18.823
3 HB3 MET -1 HG3 MET -1 43.155 -8.123 18.870
4 HE1 MET -1 HE2 MET -1 39.369 -5.506 20.742
5 HE2 MET -1 HE3 MET -1 40.559 -5.573 22.038
6 HE3 MET -1 HXT MET -1 39.987 -4.011 21.438
7 HA MET -1 HB1 MET -1 43.233 -7.771 21.485
8 HG3 MET -1 HD3 MET -1 41.341 -7.303 20.587
9 HG2 MET -1 HD2 MET -1 41.065 -7.084 18.861
No H/Q in entry = 9
Start of MODEL 4
1 H ALA 0 H ALA 0 46.207 -6.760 19.845
2 HA ALA 0 HB1 ALA 0 47.162 -9.555 19.593
3 HB1 ALA 0 HB2 ALA 0 48.985 -8.494 18.363
4 HB2 ALA 0 HB3 ALA 0 48.497 -6.904 18.950
5 HB3 ALA 0 HXT ALA 0 47.458 -7.788 17.831
No H/Q in entry = 5
Start of MODEL 4
1 H MET 1 H MET 1 48.062 -10.460 21.395
2 HB2 MET 1 HG2 MET 1 49.403 -11.833 22.722
3 HB3 MET 1 HG3 MET 1 49.875 -11.268 24.326
4 HE1 MET 1 HE2 MET 1 48.441 -11.436 26.509
5 HE2 MET 1 HE3 MET 1 48.145 -13.048 27.154
6 HE3 MET 1 HXT MET 1 49.581 -12.748 26.180
7 HA MET 1 HB1 MET 1 49.007 -8.983 23.684
8 HG3 MET 1 HD3 MET 1 47.077 -11.281 23.160
9 HG2 MET 1 HD2 MET 1 47.505 -10.532 24.699
No H/Q in entry = 9
Start of MODEL 4
1 H SER 2 H SER 2 50.621 -10.324 20.829
2 HG SER 2 HXT SER 2 54.639 -11.186 19.366
3 HA SER 2 HB1 SER 2 53.255 -9.324 21.861
4 HB3 SER 2 HG3 SER 2 52.589 -11.391 19.737
5 HB2 SER 2 HG2 SER 2 52.985 -11.766 21.413
No H/Q in entry = 5
Start of MODEL 4
1 H GLY 3 H GLY 3 54.507 -7.996 20.492
2 HA2 GLY 3 HA3 GLY 3 53.839 -5.962 19.028
3 HA3 GLY 3 HXT GLY 3 53.294 -7.188 17.883
No H/Q in entry = 3
Start of MODEL 4
1 H GLY 4 H GLY 4 55.075 -5.718 16.715
2 HA2 GLY 4 HA3 GLY 4 57.095 -7.054 15.639
3 HA3 GLY 4 HXT GLY 4 57.804 -6.778 17.230
No H/Q in entry = 3
Start of MODEL 4
1 H LEU 5 H LEU 5 59.375 -5.646 15.603
2 HD11 LEU 5 HD12 LEU 5 61.142 -1.986 18.573
3 HD12 LEU 5 HD13 LEU 5 62.394 -3.228 18.588
4 HD13 LEU 5 HD21 LEU 5 62.306 -2.082 17.251
5 HD21 LEU 5 HD22 LEU 5 59.223 -4.050 18.607
6 HD22 LEU 5 HD23 LEU 5 59.812 -5.451 17.712
7 HG LEU 5 HXT LEU 5 61.371 -4.193 16.507
8 HD23 LEU 5 HXT LEU 5 60.781 -4.767 19.017
9 HA LEU 5 HB1 LEU 5 58.497 -2.989 14.681
10 HB3 LEU 5 HG3 LEU 5 58.878 -2.630 17.079
11 HB2 LEU 5 HG2 LEU 5 60.153 -1.835 16.162
No H/Q in entry = 11
Start of MODEL 4
1 HB2 PRO 6 HG2 PRO 6 62.606 -1.123 11.290
2 HB3 PRO 6 HG3 PRO 6 61.110 -1.789 10.610
3 HG2 PRO 6 HD2 PRO 6 61.490 0.024 12.931
4 HG3 PRO 6 HD3 PRO 6 60.202 -0.007 11.719
5 HD2 PRO 6 HD3 PRO 6 59.902 -0.976 14.242
6 HD3 PRO 6 HXT PRO 6 59.002 -1.600 12.841
7 HA PRO 6 HB1 PRO 6 61.703 -3.691 11.763
No H/Q in entry = 7
Start of MODEL 4
1 H GLU 7 H GLU 7 63.516 -4.697 12.575
2 HB2 GLU 7 HG2 GLU 7 65.647 -5.696 12.499
3 HB3 GLU 7 HG3 GLU 7 66.677 -5.545 13.924
4 HA GLU 7 HB1 GLU 7 65.102 -3.773 14.782
5 HG3 GLU 7 HD3 GLU 7 63.743 -6.315 13.916
6 HG2 GLU 7 HD2 GLU 7 64.724 -6.090 15.365
No H/Q in entry = 6
Start of MODEL 4
1 H LEU 8 H LEU 8 66.703 -2.244 14.827
2 HD11 LEU 8 HD12 LEU 8 67.882 0.009 17.064
3 HD12 LEU 8 HD13 LEU 8 68.440 1.549 16.409
4 HD13 LEU 8 HD21 LEU 8 66.756 1.357 16.896
5 HD21 LEU 8 HD22 LEU 8 67.180 1.319 13.111
6 HD22 LEU 8 HD23 LEU 8 66.047 1.993 14.281
7 HG LEU 8 HXT LEU 8 66.347 -0.196 15.079
8 HD23 LEU 8 HXT LEU 8 67.764 2.373 14.398
9 HA LEU 8 HB1 LEU 8 67.437 -0.625 12.575
10 HB3 LEU 8 HG3 LEU 8 69.204 0.175 14.176
11 HB2 LEU 8 HG2 LEU 8 68.749 -1.138 15.262
No H/Q in entry = 11
Start of MODEL 4
1 H GLY 9 H GLY 9 69.387 -0.618 11.335
2 HA2 GLY 9 HA3 GLY 9 71.502 -2.574 11.783
3 HA3 GLY 9 HXT GLY 9 71.414 -1.410 10.481
No H/Q in entry = 3
Start of MODEL 4
1 H SER 10 H SER 10 68.488 -2.989 10.378
2 HG SER 10 HXT SER 10 66.573 -4.203 10.812
3 HA SER 10 HB1 SER 10 69.075 -5.516 9.183
4 HB3 SER 10 HG3 SER 10 66.757 -5.224 8.246
5 HB2 SER 10 HG2 SER 10 66.786 -3.560 8.820
No H/Q in entry = 5
Start of MODEL 4
1 H LYS 11 H LYS 11 69.396 -6.111 7.002
2 HB2 LYS 11 HG2 LYS 11 71.109 -5.971 3.854
3 HB3 LYS 11 HG3 LYS 11 71.466 -6.326 5.541
4 HG2 LYS 11 HG3 LYS 11 69.223 -7.510 5.664
5 HG3 LYS 11 HD2 LYS 11 69.106 -7.316 3.917
6 HD2 LYS 11 HD3 LYS 11 71.398 -8.441 3.780
7 HE2 LYS 11 HE3 LYS 11 68.821 -9.763 4.591
8 HE3 LYS 11 HZ1 LYS 11 69.706 -9.869 3.056
9 HZ1 LYS 11 HZ2 LYS 11 71.483 -11.048 4.220
10 HZ2 LYS 11 HZ3 LYS 11 70.585 -10.999 5.661
11 HD3 LYS 11 HXT LYS 11 71.172 -8.878 5.473
12 HZ3 LYS 11 HXT LYS 11 70.016 -11.891 4.333
13 HA LYS 11 HB1 LYS 11 70.491 -4.046 5.227
No H/Q in entry = 13
Start of MODEL 4
1 H ILE 12 H ILE 12 69.327 -2.967 3.702
2 HB ILE 12 HG12 ILE 12 67.471 -1.254 3.312
3 HG12 ILE 12 HG13 ILE 12 65.485 -3.040 4.755
4 HG13 ILE 12 HG21 ILE 12 67.123 -2.737 5.334
5 HG21 ILE 12 HG22 ILE 12 65.847 -1.568 1.439
6 HG22 ILE 12 HG23 ILE 12 64.801 -2.473 2.533
7 HD11 ILE 12 HD12 ILE 12 66.568 -0.252 5.226
8 HD12 ILE 12 HD13 ILE 12 64.887 -0.730 4.980
9 HG23 ILE 12 HXT ILE 12 65.120 -0.764 2.830
10 HD13 ILE 12 HXT ILE 12 65.720 -1.168 6.471
11 HA ILE 12 HB1 ILE 12 66.726 -4.153 2.780
No H/Q in entry = 11
Start of MODEL 4
1 H SER 13 H SER 13 66.329 -4.059 0.579
2 HG SER 13 HXT SER 13 67.106 -5.191 -3.654
3 HA SER 13 HB1 SER 13 68.503 -3.036 -1.192
4 HB3 SER 13 HG3 SER 13 66.104 -4.823 -1.733
5 HB2 SER 13 HG2 SER 13 67.716 -5.410 -1.331
No H/Q in entry = 5
Start of MODEL 4
1 H LEU 14 H LEU 14 68.040 -1.400 -2.694
2 HD11 LEU 14 HD12 LEU 14 65.289 1.511 -0.042
3 HD12 LEU 14 HD13 LEU 14 64.416 2.889 -0.713
4 HD13 LEU 14 HD21 LEU 14 64.273 1.302 -1.469
5 HD21 LEU 14 HD22 LEU 14 67.548 3.116 -0.456
6 HD22 LEU 14 HD23 LEU 14 67.527 3.922 -2.024
7 HG LEU 14 HXT LEU 14 65.788 2.553 -2.840
8 HD23 LEU 14 HXT LEU 14 66.222 4.203 -0.870
9 HA LEU 14 HB1 LEU 14 65.343 -0.110 -2.487
10 HB3 LEU 14 HG3 LEU 14 67.982 1.361 -2.411
11 HB2 LEU 14 HG2 LEU 14 67.262 0.711 -0.939
No H/Q in entry = 11
Start of MODEL 4
1 H ILE 15 H ILE 15 64.567 0.434 -4.500
2 HB ILE 15 HG12 ILE 15 63.466 0.006 -6.638
3 HG12 ILE 15 HG13 ILE 15 65.613 -2.043 -7.253
4 HG13 ILE 15 HG21 ILE 15 64.973 -1.795 -5.630
5 HG21 ILE 15 HG22 ILE 15 64.295 0.937 -8.818
6 HG22 ILE 15 HG23 ILE 15 65.350 -0.468 -8.970
7 HD11 ILE 15 HD12 ILE 15 62.662 -2.179 -6.580
8 HD12 ILE 15 HD13 ILE 15 63.434 -2.654 -8.093
9 HG23 ILE 15 HXT ILE 15 63.599 -0.676 -8.971
10 HD13 ILE 15 HXT ILE 15 63.714 -3.593 -6.627
11 HA ILE 15 HB1 ILE 15 66.481 0.405 -6.809
No H/Q in entry = 11
Start of MODEL 4
1 H SER 16 H SER 16 66.964 2.409 -7.588
2 HG SER 16 HXT SER 16 68.715 5.043 -6.190
3 HA SER 16 HB1 SER 16 65.269 4.743 -6.909
4 HB3 SER 16 HG3 SER 16 67.242 5.984 -7.676
5 HB2 SER 16 HG2 SER 16 67.956 4.493 -8.285
No H/Q in entry = 5
Start of MODEL 4
1 H LYS 17 H LYS 17 64.728 6.325 -8.606
2 HB2 LYS 17 HG2 LYS 17 63.073 7.524 -9.567
3 HB3 LYS 17 HG3 LYS 17 64.413 7.982 -10.617
4 HG2 LYS 17 HG3 LYS 17 63.028 7.410 -12.600
5 HG3 LYS 17 HD2 LYS 17 61.681 7.029 -11.527
6 HD2 LYS 17 HD3 LYS 17 61.806 9.364 -10.627
7 HE2 LYS 17 HE3 LYS 17 61.470 9.246 -13.649
8 HE3 LYS 17 HZ1 LYS 17 60.235 8.731 -12.481
9 HZ1 LYS 17 HZ2 LYS 17 60.353 10.922 -11.453
10 HZ2 LYS 17 HZ3 LYS 17 61.500 11.419 -12.600
11 HD3 LYS 17 HXT LYS 17 63.036 9.721 -11.840
12 HZ3 LYS 17 HXT LYS 17 59.916 11.049 -13.091
13 HA LYS 17 HB1 LYS 17 63.119 5.246 -10.642
No H/Q in entry = 13
Start of MODEL 4
1 H ALA 18 H ALA 18 66.563 5.631 -10.768
2 HA ALA 18 HB1 ALA 18 66.681 5.849 -13.710
3 HB1 ALA 18 HB2 ALA 18 69.207 5.613 -13.037
4 HB2 ALA 18 HB3 ALA 18 68.346 7.083 -12.581
5 HB3 ALA 18 HXT ALA 18 68.609 5.808 -11.388
No H/Q in entry = 5
Start of MODEL 4
1 H ASP 19 H ASP 19 65.594 3.381 -12.165
2 HA ASP 19 HB1 ASP 19 65.782 1.040 -12.162
3 HB3 ASP 19 HG3 ASP 19 66.676 0.132 -14.322
4 HB2 ASP 19 HG2 ASP 19 67.226 1.751 -14.742
No H/Q in entry = 4
Start of MODEL 4
1 H ILE 20 H ILE 20 67.829 2.619 -10.776
2 HB ILE 20 HG12 ILE 20 69.766 3.421 -9.438
3 HG12 ILE 20 HG13 ILE 20 71.173 3.176 -12.120
4 HG13 ILE 20 HG21 ILE 20 69.530 3.769 -11.920
5 HG21 ILE 20 HG22 ILE 20 72.309 1.975 -10.247
6 HG22 ILE 20 HG23 ILE 20 72.264 3.534 -9.424
7 HD11 ILE 20 HD12 ILE 20 70.425 5.527 -10.353
8 HD12 ILE 20 HD13 ILE 20 72.052 5.006 -10.790
9 HG23 ILE 20 HXT ILE 20 71.646 2.093 -8.617
10 HD13 ILE 20 HXT ILE 20 70.988 5.692 -12.017
11 HA ILE 20 HB1 ILE 20 70.274 0.922 -11.094
No H/Q in entry = 11
Start of MODEL 4
1 H ARG 21 H ARG 21 70.925 -0.437 -9.389
2 HB2 ARG 21 HG2 ARG 21 69.495 -2.644 -8.789
3 HB3 ARG 21 HG3 ARG 21 71.139 -2.630 -8.150
4 HG2 ARG 21 HD2 ARG 21 70.258 -3.079 -5.883
5 HG3 ARG 21 HD3 ARG 21 68.620 -3.124 -6.536
6 HD2 ARG 21 HD3 ARG 21 69.319 -5.007 -8.043
7 HE ARG 21 HH12 ARG 21 68.665 -5.107 -5.347
8 HH11 ARG 21 HH21 ARG 21 70.716 -7.037 -7.425
9 HH12 ARG 21 HH22 ARG 21 70.478 -8.472 -6.491
10 HD3 ARG 21 HXT ARG 21 70.894 -5.017 -7.227
11 HH21 ARG 21 HXT ARG 21 68.387 -6.986 -4.173
12 HH22 ARG 21 H1 ARG 21 69.174 -8.446 -4.670
13 HA ARG 21 HB1 ARG 21 68.943 -0.775 -7.172
No H/Q in entry = 13
Start of MODEL 4
1 H TYR 22 H TYR 22 69.567 0.159 -5.295
2 HD1 TYR 22 HD2 TYR 22 73.583 2.984 -4.210
3 HD2 TYR 22 HE1 TYR 22 69.641 2.698 -5.968
4 HE1 TYR 22 HE2 TYR 22 74.248 4.623 -5.970
5 HE2 TYR 22 HH TYR 22 70.306 4.340 -7.736
6 HH TYR 22 HXT TYR 22 72.344 6.355 -7.696
7 HA TYR 22 HB1 TYR 22 72.468 0.146 -4.532
8 HB3 TYR 22 HG3 TYR 22 71.705 1.983 -2.987
9 HB2 TYR 22 HG2 TYR 22 70.113 1.860 -3.703
No H/Q in entry = 9
Start of MODEL 4
1 H GLU 23 H GLU 23 72.968 -0.716 -2.452
2 HB2 GLU 23 HG2 GLU 23 71.622 -3.480 -2.307
3 HB3 GLU 23 HG3 GLU 23 73.174 -3.282 -1.493
4 HA GLU 23 HB1 GLU 23 70.683 -1.702 -0.782
5 HG3 GLU 23 HD3 GLU 23 70.564 -4.138 -0.209
6 HG2 GLU 23 HD2 GLU 23 72.054 -3.817 0.678
No H/Q in entry = 6
Start of MODEL 4
1 H GLY 24 H GLY 24 71.101 -1.506 1.447
2 HA2 GLY 24 HA3 GLY 24 72.868 0.453 2.349
3 HA3 GLY 24 HXT GLY 24 73.779 -1.048 2.490
No H/Q in entry = 3
Start of MODEL 4
1 H ARG 25 H ARG 25 73.605 -0.186 4.840
2 HB2 ARG 25 HG2 ARG 25 73.866 -0.029 7.107
3 HB3 ARG 25 HG3 ARG 25 72.864 -0.954 8.226
4 HG2 ARG 25 HD2 ARG 25 73.436 -3.029 6.955
5 HG3 ARG 25 HD3 ARG 25 74.533 -2.074 5.956
6 HD2 ARG 25 HD3 ARG 25 75.748 -1.387 8.059
7 HE ARG 25 HH12 ARG 25 75.982 -3.728 6.593
8 HH11 ARG 25 HH21 ARG 25 76.443 -2.933 9.971
9 HH12 ARG 25 HH22 ARG 25 77.629 -4.169 10.202
10 HD3 ARG 25 HXT ARG 25 74.735 -2.539 8.950
11 HH21 ARG 25 HXT ARG 25 77.521 -5.311 6.939
12 HH22 ARG 25 H1 ARG 25 78.234 -5.501 8.506
13 HA ARG 25 HB1 ARG 25 71.540 -1.766 6.232
No H/Q in entry = 13
Start of MODEL 4
1 H LEU 26 H LEU 26 69.699 -0.914 7.164
2 HD11 LEU 26 HD12 LEU 26 65.924 1.329 6.382
3 HD12 LEU 26 HD13 LEU 26 65.338 2.686 7.343
4 HD13 LEU 26 HD21 LEU 26 66.985 2.697 6.713
5 HD21 LEU 26 HD22 LEU 26 65.900 -0.020 9.805
6 HD22 LEU 26 HD23 LEU 26 64.868 1.382 9.523
7 HG LEU 26 HXT LEU 26 67.091 2.125 9.064
8 HD23 LEU 26 HXT LEU 26 64.969 0.103 8.312
9 HA LEU 26 HB1 LEU 26 68.818 1.791 6.808
10 HB3 LEU 26 HG3 LEU 26 67.997 -0.239 8.901
11 HB2 LEU 26 HG2 LEU 26 67.445 -0.260 7.227
No H/Q in entry = 11
Start of MODEL 4
1 H TYR 27 H TYR 27 69.794 3.546 7.817
2 HD1 TYR 27 HD2 TYR 27 72.979 3.786 11.298
3 HD2 TYR 27 HE1 TYR 27 71.979 7.508 9.336
4 HE1 TYR 27 HE2 TYR 27 74.333 5.037 12.982
5 HE2 TYR 27 HH TYR 27 73.332 8.758 11.022
6 HH TYR 27 HXT TYR 27 74.066 8.141 13.625
7 HA TYR 27 HB1 TYR 27 71.013 3.208 10.514
8 HB3 TYR 27 HG3 TYR 27 71.051 5.516 8.555
9 HB2 TYR 27 HG2 TYR 27 72.232 4.220 8.574
No H/Q in entry = 9
Start of MODEL 4
1 H THR 28 H THR 28 68.765 5.416 8.794
2 HG1 THR 28 HG21 THR 28 69.708 7.518 9.426
3 HG21 THR 28 HG22 THR 28 68.822 6.712 12.602
4 HG22 THR 28 HG23 THR 28 70.174 7.033 11.515
5 HG23 THR 28 HXT THR 28 69.403 8.362 12.380
6 HA THR 28 HB1 THR 28 67.213 5.801 11.291
7 HB THR 28 HG12 THR 28 67.503 8.319 11.018
No H/Q in entry = 7
Start of MODEL 4
1 H VAL 29 H VAL 29 65.138 6.812 10.874
2 HB VAL 29 HG12 VAL 29 64.052 4.833 8.624
3 HG11 VAL 29 HG12 VAL 29 63.626 5.391 11.089
4 HG12 VAL 29 HG13 VAL 29 61.980 5.798 10.604
5 HG13 VAL 29 HG21 VAL 29 62.586 4.158 10.375
6 HG21 VAL 29 HG22 VAL 29 61.724 6.636 8.034
7 HG22 VAL 29 HG23 VAL 29 62.518 5.458 6.988
8 HG23 VAL 29 HXT VAL 29 61.435 4.912 8.269
9 HA VAL 29 HB1 VAL 29 64.406 7.221 8.015
No H/Q in entry = 9
Start of MODEL 4
1 H ASP 30 H ASP 30 62.702 8.708 7.744
2 HA ASP 30 HB1 ASP 30 61.475 9.841 10.237
3 HB3 ASP 30 HG3 ASP 30 62.086 11.432 7.751
4 HB2 ASP 30 HG2 ASP 30 63.354 11.121 8.938
No H/Q in entry = 4
Start of MODEL 4
1 HB2 PRO 31 HG2 PRO 31 56.132 8.571 9.527
2 HB3 PRO 31 HG3 PRO 31 57.147 7.124 9.382
3 HG2 PRO 31 HD2 PRO 31 57.384 9.421 11.246
4 HG3 PRO 31 HD3 PRO 31 57.717 7.704 11.517
5 HD2 PRO 31 HD3 PRO 31 59.675 9.533 11.154
6 HD3 PRO 31 HXT PRO 31 59.834 7.840 10.637
7 HA PRO 31 HB1 PRO 31 58.120 8.212 7.614
No H/Q in entry = 7
Start of MODEL 4
1 H GLN 32 H GLN 32 57.901 11.180 9.587
2 HB2 GLN 32 HG2 GLN 32 57.351 13.357 10.233
3 HB3 GLN 32 HG3 GLN 32 55.884 14.126 9.624
4 HE21 GLN 32 HE22 GLN 32 53.890 10.356 10.507
5 HE22 GLN 32 HXT GLN 32 52.506 11.160 9.941
6 HA GLN 32 HB1 GLN 32 55.572 12.155 8.079
7 HG3 GLN 32 HD3 GLN 32 55.583 12.775 11.754
8 HG2 GLN 32 HD2 GLN 32 55.919 11.333 10.796
No H/Q in entry = 8
Start of MODEL 4
1 H GLU 33 H GLU 33 59.055 12.620 8.011
2 HB2 GLU 33 HG2 GLU 33 61.133 13.152 7.199
3 HB3 GLU 33 HG3 GLU 33 61.382 14.497 6.087
4 HA GLU 33 HB1 GLU 33 58.879 14.838 6.075
5 HG3 GLU 33 HD3 GLU 33 60.076 14.654 8.821
6 HG2 GLU 33 HD2 GLU 33 60.217 16.003 7.694
No H/Q in entry = 6
Start of MODEL 4
1 H CYS 34 H CYS 34 58.276 11.563 5.761
2 HG CYS 34 HXT CYS 34 55.959 12.158 3.422
3 HA CYS 34 HB1 CYS 34 58.461 9.984 4.019
4 HB3 CYS 34 HG3 CYS 34 58.332 11.212 1.732
5 HB2 CYS 34 HG2 CYS 34 58.282 12.689 2.695
No H/Q in entry = 5
Start of MODEL 4
1 H THR 35 H THR 35 61.003 10.614 5.220
2 HG1 THR 35 HG21 THR 35 63.481 12.176 6.197
3 HG21 THR 35 HG22 THR 35 61.884 12.724 2.801
4 HG22 THR 35 HG23 THR 35 62.726 13.988 3.697
5 HG23 THR 35 HXT THR 35 63.573 13.083 2.444
6 HA THR 35 HB1 THR 35 62.836 10.437 2.850
7 HB THR 35 HG12 THR 35 64.354 11.952 4.289
No H/Q in entry = 7
Start of MODEL 4
1 H ILE 36 H ILE 36 64.803 9.277 3.289
2 HB ILE 36 HG12 ILE 36 65.366 5.807 4.856
3 HG12 ILE 36 HG13 ILE 36 64.301 7.168 2.364
4 HG13 ILE 36 HG21 ILE 36 66.018 6.852 2.615
5 HG21 ILE 36 HG22 ILE 36 63.093 6.873 5.645
6 HG22 ILE 36 HG23 ILE 36 62.727 6.889 3.920
7 HD11 ILE 36 HD12 ILE 36 65.519 4.439 2.898
8 HD12 ILE 36 HD13 ILE 36 63.814 4.768 2.591
9 HG23 ILE 36 HXT ILE 36 63.084 5.365 4.732
10 HD13 ILE 36 HXT ILE 36 65.005 5.030 1.317
11 HA ILE 36 HB1 ILE 36 65.076 8.020 5.979
No H/Q in entry = 11
Start of MODEL 4
1 H ALA 37 H ALA 37 67.263 7.096 6.296
2 HA ALA 37 HB1 ALA 37 69.301 7.969 4.283
3 HB1 ALA 37 HB2 ALA 37 68.861 9.397 6.494
4 HB2 ALA 37 HB3 ALA 37 70.502 9.130 5.901
5 HB3 ALA 37 HXT ALA 37 69.870 8.147 7.224
No H/Q in entry = 5
Start of MODEL 4
1 H LEU 38 H LEU 38 70.678 6.333 3.794
2 HD11 LEU 38 HD12 LEU 38 69.572 3.933 1.108
3 HD12 LEU 38 HD13 LEU 38 69.423 2.219 1.490
4 HD13 LEU 38 HD21 LEU 38 68.004 3.264 1.558
5 HD21 LEU 38 HD22 LEU 38 69.493 2.314 4.980
6 HD22 LEU 38 HD23 LEU 38 67.873 2.416 4.295
7 HG LEU 38 HXT LEU 38 68.820 4.398 3.503
8 HD23 LEU 38 HXT LEU 38 69.093 1.405 3.523
9 HA LEU 38 HB1 LEU 38 70.665 3.887 5.526
10 HB3 LEU 38 HG3 LEU 38 71.378 2.798 3.367
11 HB2 LEU 38 HG2 LEU 38 71.231 4.369 2.580
No H/Q in entry = 11
Start of MODEL 4
1 H SER 39 H SER 39 72.680 3.019 6.166
2 HG SER 39 HXT SER 39 75.059 2.112 8.216
3 HA SER 39 HB1 SER 39 75.073 4.745 5.596
4 HB3 SER 39 HG3 SER 39 74.171 4.748 7.927
5 HB2 SER 39 HG2 SER 39 75.798 4.076 7.851
No H/Q in entry = 5
Start of MODEL 4
1 H SER 40 H SER 40 77.104 3.573 5.324
2 HG SER 40 HXT SER 40 76.500 -0.957 5.328
3 HA SER 40 HB1 SER 40 78.275 1.993 4.020
4 HB3 SER 40 HG3 SER 40 78.050 1.090 6.409
5 HB2 SER 40 HG2 SER 40 78.428 -0.098 5.168
No H/Q in entry = 5
Start of MODEL 4
1 H VAL 41 H VAL 41 77.188 2.351 2.023
2 HB VAL 41 HG12 VAL 41 74.084 2.292 1.801
3 HG11 VAL 41 HG12 VAL 41 76.016 3.801 1.234
4 HG12 VAL 41 HG13 VAL 41 75.649 3.534 -0.473
5 HG13 VAL 41 HG21 VAL 41 74.470 4.331 0.569
6 HG21 VAL 41 HG22 VAL 41 74.138 1.187 -0.970
7 HG22 VAL 41 HG23 VAL 41 72.812 1.261 0.189
8 HG23 VAL 41 HXT VAL 41 73.256 2.695 -0.734
9 HA VAL 41 HB1 VAL 41 75.285 0.186 1.234
No H/Q in entry = 9
Start of MODEL 4
1 H ARG 42 H ARG 42 75.517 -0.498 -0.927
2 HB2 ARG 42 HG2 ARG 42 78.261 -1.455 -1.344
3 HB3 ARG 42 HG3 ARG 42 76.987 -2.198 -2.312
4 HG2 ARG 42 HD2 ARG 42 78.228 -1.280 -4.364
5 HG3 ARG 42 HD3 ARG 42 79.578 -0.973 -3.272
6 HD2 ARG 42 HD3 ARG 42 78.251 -3.689 -3.597
7 HE ARG 42 HH12 ARG 42 79.826 -2.733 -1.531
8 HH11 ARG 42 HH21 ARG 42 80.337 -5.106 -4.053
9 HH12 ARG 42 HH22 ARG 42 81.448 -6.023 -3.100
10 HD3 ARG 42 HXT ARG 42 79.749 -3.204 -4.413
11 HH21 ARG 42 HXT ARG 42 81.265 -3.952 -0.337
12 HH22 ARG 42 H1 ARG 42 81.969 -5.381 -1.018
13 HA ARG 42 HB1 ARG 42 77.754 0.736 -2.506
No H/Q in entry = 13
Start of MODEL 4
1 H SER 43 H SER 43 77.430 0.674 -4.818
2 HG SER 43 HXT SER 43 77.026 2.132 -8.023
3 HA SER 43 HB1 SER 43 74.596 0.181 -5.665
4 HB3 SER 43 HG3 SER 43 75.618 2.483 -5.823
5 HB2 SER 43 HG2 SER 43 75.071 1.850 -7.372
No H/Q in entry = 5
Start of MODEL 4
1 H PHE 44 H PHE 44 74.217 -1.294 -7.325
2 HD1 PHE 44 HD2 PHE 44 75.658 -5.778 -7.345
3 HD2 PHE 44 HE1 PHE 44 72.530 -2.954 -6.380
4 HE1 PHE 44 HE2 PHE 44 75.294 -6.928 -5.160
5 HE2 PHE 44 HZ PHE 44 72.165 -4.104 -4.196
6 HZ PHE 44 HXT PHE 44 73.547 -6.091 -3.585
7 HA PHE 44 HB1 PHE 44 76.405 -3.170 -7.912
8 HB3 PHE 44 HG3 PHE 44 74.476 -4.339 -9.102
9 HB2 PHE 44 HG2 PHE 44 73.460 -3.013 -8.567
No H/Q in entry = 9
Start of MODEL 4
1 H GLY 45 H GLY 45 74.366 -0.896 -9.771
2 HA2 GLY 45 HA3 GLY 45 75.605 -1.513 -12.317
3 HA3 GLY 45 HXT GLY 45 76.325 -0.096 -11.564
No H/Q in entry = 3
Start of MODEL 4
1 H THR 46 H THR 46 75.419 0.941 -13.554
2 HG1 THR 46 HG21 THR 46 75.369 3.844 -14.853
3 HG21 THR 46 HG22 THR 46 73.113 3.046 -11.777
4 HG22 THR 46 HG23 THR 46 74.656 3.889 -11.911
5 HG23 THR 46 HXT THR 46 73.173 4.675 -12.447
6 HA THR 46 HB1 THR 46 72.504 1.602 -13.262
7 HB THR 46 HG12 THR 46 73.323 3.741 -14.488
No H/Q in entry = 7
Start of MODEL 4
1 H GLU 47 H GLU 47 74.331 -0.368 -15.066
2 HB2 GLU 47 HG2 GLU 47 75.389 -1.616 -16.614
3 HB3 GLU 47 HG3 GLU 47 73.774 -2.302 -16.786
4 HA GLU 47 HB1 GLU 47 74.524 0.483 -17.701
5 HG3 GLU 47 HD3 GLU 47 75.568 -1.340 -19.034
6 HG2 GLU 47 HD2 GLU 47 73.907 -1.893 -19.248
No H/Q in entry = 6
Start of MODEL 4
1 H ASP 48 H ASP 48 71.580 -0.536 -16.054
2 HA ASP 48 HB1 ASP 48 69.982 -1.188 -18.351
3 HB3 ASP 48 HG3 ASP 48 68.106 -0.707 -16.735
4 HB2 ASP 48 HG2 ASP 48 69.308 -0.083 -15.606
No H/Q in entry = 4
Start of MODEL 4
1 H ARG 49 H ARG 49 69.910 1.835 -16.407
2 HB2 ARG 49 HG2 ARG 49 69.222 3.864 -15.782
3 HB3 ARG 49 HG3 ARG 49 68.658 5.116 -16.888
4 HG2 ARG 49 HD2 ARG 49 67.268 2.444 -16.708
5 HG3 ARG 49 HD3 ARG 49 66.861 3.765 -15.614
6 HD2 ARG 49 HD3 ARG 49 66.874 4.086 -18.632
7 HE ARG 49 HH12 ARG 49 66.824 5.969 -16.595
8 HH11 ARG 49 HH21 ARG 49 64.504 4.935 -19.003
9 HH12 ARG 49 HH22 ARG 49 63.731 6.480 -19.064
10 HD3 ARG 49 HXT ARG 49 65.422 3.664 -17.706
11 HH21 ARG 49 HXT ARG 49 65.794 7.948 -16.709
12 HH22 ARG 49 H1 ARG 49 64.452 8.169 -17.782
13 HA ARG 49 HB1 ARG 49 68.749 3.303 -18.713
No H/Q in entry = 13
Start of MODEL 4
1 H ASP 50 H ASP 50 71.803 2.452 -18.190
2 HA ASP 50 HB1 ASP 50 73.282 4.811 -17.568
3 HB3 ASP 50 HG3 ASP 50 74.102 2.466 -17.467
4 HB2 ASP 50 HG2 ASP 50 75.185 3.497 -18.395
No H/Q in entry = 4
Start of MODEL 4
1 H THR 51 H THR 51 74.905 5.789 -19.180
2 HG1 THR 51 HG21 THR 51 77.345 7.569 -20.340
3 HG21 THR 51 HG22 THR 51 73.834 8.690 -20.202
4 HG22 THR 51 HG23 THR 51 74.955 8.191 -18.935
5 HG23 THR 51 HXT THR 51 75.405 9.477 -20.055
6 HA THR 51 HB1 THR 51 73.533 6.853 -21.537
7 HB THR 51 HG12 THR 51 75.767 7.995 -21.818
No H/Q in entry = 7
Start of MODEL 4
1 H GLN 52 H GLN 52 74.530 6.677 -23.732
2 HB2 GLN 52 HG2 GLN 52 75.346 4.856 -26.706
3 HB3 GLN 52 HG3 GLN 52 73.863 5.285 -25.860
4 HE21 GLN 52 HE22 GLN 52 74.220 9.011 -27.294
5 HE22 GLN 52 HXT GLN 52 74.400 8.586 -28.928
6 HA GLN 52 HB1 GLN 52 75.281 3.931 -24.392
7 HG3 GLN 52 HD3 GLN 52 76.237 7.145 -25.837
8 HG2 GLN 52 HD2 GLN 52 74.538 7.524 -25.559
No H/Q in entry = 8
Start of MODEL 4
1 H PHE 53 H PHE 53 77.134 6.447 -23.127
2 HD1 PHE 53 HD2 PHE 53 78.194 7.429 -25.526
3 HD2 PHE 53 HE1 PHE 53 81.750 8.839 -23.510
4 HE1 PHE 53 HE2 PHE 53 78.790 8.792 -27.530
5 HE2 PHE 53 HZ PHE 53 82.346 10.199 -25.516
6 HZ PHE 53 HXT PHE 53 80.867 10.176 -27.525
7 HA PHE 53 HB1 PHE 53 79.638 5.449 -24.389
8 HB3 PHE 53 HG3 PHE 53 80.428 7.188 -22.501
9 HB2 PHE 53 HG2 PHE 53 78.761 7.710 -22.647
No H/Q in entry = 9
Start of MODEL 4
1 H GLN 54 H GLN 54 81.403 4.778 -22.812
2 HB2 GLN 54 HG2 GLN 54 83.151 3.991 -21.469
3 HB3 GLN 54 HG3 GLN 54 82.926 2.483 -20.583
4 HE21 GLN 54 HE22 GLN 54 83.661 0.201 -23.798
5 HE22 GLN 54 HXT GLN 54 85.309 0.605 -23.778
6 HA GLN 54 HB1 GLN 54 80.471 2.602 -21.153
7 HG3 GLN 54 HD3 GLN 54 82.225 2.909 -23.504
8 HG2 GLN 54 HD2 GLN 54 82.061 1.397 -22.609
No H/Q in entry = 8
Start of MODEL 4
1 H ILE 55 H ILE 55 80.272 2.482 -18.907
2 HB ILE 55 HG12 ILE 55 78.831 2.616 -16.852
3 HG12 ILE 55 HG13 ILE 55 78.086 3.786 -18.879
4 HG13 ILE 55 HG21 ILE 55 76.952 4.085 -17.567
5 HG21 ILE 55 HG22 ILE 55 79.214 5.257 -15.464
6 HG22 ILE 55 HG23 ILE 55 77.655 4.435 -15.383
7 HD11 ILE 55 HD12 ILE 55 78.693 6.181 -17.243
8 HD12 ILE 55 HD13 ILE 55 78.722 5.975 -18.995
9 HG23 ILE 55 HXT ILE 55 79.104 3.640 -14.769
10 HD13 ILE 55 HXT ILE 55 77.194 6.271 -18.167
11 HA ILE 55 HB1 ILE 55 80.580 5.050 -17.382
No H/Q in entry = 11
Start of MODEL 4
1 H ALA 56 H ALA 56 81.969 5.039 -15.635
2 HA ALA 56 HB1 ALA 56 83.485 2.537 -15.086
3 HB1 ALA 56 HB2 ALA 56 84.474 4.839 -15.673
4 HB2 ALA 56 HB3 ALA 56 85.156 4.026 -14.264
5 HB3 ALA 56 HXT ALA 56 83.990 5.332 -14.050
No H/Q in entry = 5
Start of MODEL 4
1 HB2 PRO 57 HG2 PRO 57 81.741 -0.118 -10.560
2 HB3 PRO 57 HG3 PRO 57 80.427 0.115 -11.730
3 HG2 PRO 57 HD2 PRO 57 83.280 -0.561 -12.198
4 HG3 PRO 57 HD3 PRO 57 81.831 -1.113 -13.052
5 HD2 PRO 57 HD3 PRO 57 83.513 0.780 -14.039
6 HD3 PRO 57 HXT PRO 57 81.779 0.720 -14.421
7 HA PRO 57 HB1 PRO 57 80.825 2.356 -11.382
No H/Q in entry = 7
Start of MODEL 4
1 H GLN 58 H GLN 58 81.349 2.749 -9.188
2 HB2 GLN 58 HG2 GLN 58 81.597 4.017 -7.280
3 HB3 GLN 58 HG3 GLN 58 83.176 4.519 -6.673
4 HE21 GLN 58 HE22 GLN 58 83.720 7.545 -7.503
5 HE22 GLN 58 HXT GLN 58 85.285 7.428 -8.148
6 HA GLN 58 HB1 GLN 58 84.218 3.309 -8.635
7 HG3 GLN 58 HD3 GLN 58 81.975 6.219 -8.146
8 HG2 GLN 58 HD2 GLN 58 82.248 5.112 -9.492
No H/Q in entry = 8
Start of MODEL 4
1 H SER 59 H SER 59 85.358 1.752 -7.570
2 HG SER 59 HXT SER 59 88.009 0.480 -5.687
3 HA SER 59 HB1 SER 59 84.162 -0.549 -6.296
4 HB3 SER 59 HG3 SER 59 86.437 -0.385 -7.346
5 HB2 SER 59 HG2 SER 59 86.478 -1.056 -5.717
No H/Q in entry = 5
Start of MODEL 4
1 H GLN 60 H GLN 60 85.238 2.599 -5.109
2 HB2 GLN 60 HG2 GLN 60 86.176 4.073 -3.571
3 HB3 GLN 60 HG3 GLN 60 84.495 4.599 -3.662
4 HE21 GLN 60 HE22 GLN 60 84.746 6.656 -0.183
5 HE22 GLN 60 HXT GLN 60 85.669 7.868 -0.929
6 HA GLN 60 HB1 GLN 60 85.376 2.032 -2.308
7 HG3 GLN 60 HD3 GLN 60 86.020 4.043 -1.100
8 HG2 GLN 60 HD2 GLN 60 84.346 4.588 -1.204
No H/Q in entry = 8
Start of MODEL 4
1 H ILE 61 H ILE 61 83.795 2.141 -0.675
2 HB ILE 61 HG12 ILE 61 82.304 1.436 1.117
3 HG12 ILE 61 HG13 ILE 61 83.221 -0.084 -0.582
4 HG13 ILE 61 HG21 ILE 61 82.173 -0.977 0.514
5 HG21 ILE 61 HG22 ILE 61 79.565 0.727 0.038
6 HG22 ILE 61 HG23 ILE 61 80.240 0.032 1.511
7 HD11 ILE 61 HD12 ILE 61 80.319 -0.769 -1.145
8 HD12 ILE 61 HD13 ILE 61 81.434 0.030 -2.253
9 HG23 ILE 61 HXT ILE 61 79.938 1.767 1.413
10 HD13 ILE 61 HXT ILE 61 81.704 -1.650 -1.790
11 HA ILE 61 HB1 ILE 61 80.966 1.907 -1.571
No H/Q in entry = 11
Start of MODEL 4
1 H TYR 62 H TYR 62 79.300 3.189 -0.495
2 HD1 TYR 62 HD2 TYR 62 79.495 7.611 -1.683
3 HD2 TYR 62 HE1 TYR 62 77.643 3.787 -2.478
4 HE1 TYR 62 HE2 TYR 62 79.962 7.892 -4.119
5 HE2 TYR 62 HH TYR 62 78.110 4.067 -4.914
6 HH TYR 62 HXT TYR 62 78.782 6.876 -6.353
7 HA TYR 62 HB1 TYR 62 80.252 5.906 0.247
8 HB3 TYR 62 HG3 TYR 62 77.839 6.431 -0.058
9 HB2 TYR 62 HG2 TYR 62 77.523 4.726 -0.323
No H/Q in entry = 9
Start of MODEL 4
1 H ASP 63 H ASP 63 80.657 6.162 2.411
2 HA ASP 63 HB1 ASP 63 79.797 4.646 4.603
3 HB3 ASP 63 HG3 ASP 63 81.532 6.367 4.665
4 HB2 ASP 63 HG2 ASP 63 80.328 6.692 5.909
No H/Q in entry = 4
Start of MODEL 4
1 H TYR 64 H TYR 64 78.094 7.389 3.076
2 HD1 TYR 64 HD2 TYR 64 74.225 9.820 4.031
3 HD2 TYR 64 HE1 TYR 64 75.628 8.197 7.787
4 HE1 TYR 64 HE2 TYR 64 72.117 10.553 5.134
5 HE2 TYR 64 HH TYR 64 73.517 8.936 8.886
6 HH TYR 64 HXT TYR 64 71.479 11.158 7.676
7 HA TYR 64 HB1 TYR 64 75.576 6.647 4.456
8 HB3 TYR 64 HG3 TYR 64 76.842 9.383 4.727
9 HB2 TYR 64 HG2 TYR 64 77.021 8.126 5.934
No H/Q in entry = 9
Start of MODEL 4
1 H ILE 65 H ILE 65 73.950 6.925 2.981
2 HB ILE 65 HG12 ILE 65 73.070 6.442 0.575
3 HG12 ILE 65 HG13 ILE 65 75.457 7.914 -0.600
4 HG13 ILE 65 HG21 ILE 65 75.556 6.635 0.607
5 HG21 ILE 65 HG22 ILE 65 73.202 8.893 -1.218
6 HG22 ILE 65 HG23 ILE 65 72.805 7.269 -1.781
7 HD11 ILE 65 HD12 ILE 65 74.109 5.303 -1.190
8 HD12 ILE 65 HD13 ILE 65 74.860 6.451 -2.300
9 HG23 ILE 65 HXT ILE 65 71.740 8.093 -0.642
10 HD13 ILE 65 HXT ILE 65 75.866 5.385 -1.320
11 HA ILE 65 HB1 ILE 65 74.150 9.243 1.078
No H/Q in entry = 11
Start of MODEL 4
1 H LEU 66 H LEU 66 72.466 10.633 1.335
2 HD11 LEU 66 HD12 LEU 66 69.934 11.710 4.921
3 HD12 LEU 66 HD13 LEU 66 68.308 12.397 4.942
4 HD13 LEU 66 HD21 LEU 66 68.578 10.788 4.271
5 HD21 LEU 66 HD22 LEU 66 70.095 14.202 3.782
6 HD22 LEU 66 HD23 LEU 66 69.436 14.353 2.153
7 HG LEU 66 HXT LEU 66 68.439 12.106 2.339
8 HD23 LEU 66 HXT LEU 66 68.350 14.272 3.541
9 HA LEU 66 HB1 LEU 66 70.074 9.842 2.890
10 HB3 LEU 66 HG3 LEU 66 70.837 12.471 1.576
11 HB2 LEU 66 HG2 LEU 66 71.342 11.996 3.197
No H/Q in entry = 11
Start of MODEL 4
1 H PHE 67 H PHE 67 68.039 9.556 1.961
2 HD1 PHE 67 HD2 PHE 67 68.238 8.929 -2.699
3 HD2 PHE 67 HE1 PHE 67 69.135 5.831 0.178
4 HE1 PHE 67 HE2 PHE 67 70.031 8.060 -4.188
5 HE2 PHE 67 HZ PHE 67 70.946 4.973 -1.309
6 HZ PHE 67 HXT PHE 67 71.395 6.089 -3.496
7 HA PHE 67 HB1 PHE 67 67.785 9.939 -0.998
8 HB3 PHE 67 HG3 PHE 67 66.507 7.619 -0.668
9 HB2 PHE 67 HG2 PHE 67 67.578 7.497 0.713
No H/Q in entry = 9
Start of MODEL 4
1 H ARG 68 H ARG 68 65.895 10.980 -1.478
2 HB2 ARG 68 HG2 ARG 68 64.191 12.351 -2.221
3 HB3 ARG 68 HG3 ARG 68 62.786 12.712 -1.220
4 HG2 ARG 68 HD2 ARG 68 64.320 13.477 0.593
5 HG3 ARG 68 HD3 ARG 68 65.686 13.216 -0.492
6 HD2 ARG 68 HD3 ARG 68 64.617 14.816 -2.124
7 HE ARG 68 HH12 ARG 68 65.045 16.366 0.322
8 HH11 ARG 68 HH21 ARG 68 66.572 14.293 -2.048
9 HH12 ARG 68 HH22 ARG 68 68.145 14.949 -1.754
10 HD3 ARG 68 HXT ARG 68 63.400 15.177 -0.884
11 HH21 ARG 68 HXT ARG 68 67.097 17.182 0.669
12 HH22 ARG 68 H1 ARG 68 68.441 16.566 -0.233
13 HA ARG 68 HB1 ARG 68 63.716 11.149 0.525
No H/Q in entry = 13
Start of MODEL 4
1 H GLY 69 H GLY 69 61.600 10.318 0.130
2 HA2 GLY 69 HA3 GLY 69 59.982 8.864 -0.748
3 HA3 GLY 69 HXT GLY 69 61.329 7.893 -1.334
No H/Q in entry = 3
Start of MODEL 4
1 H SER 70 H SER 70 61.089 11.209 -2.398
2 HG SER 70 HXT SER 70 59.788 14.106 -5.369
3 HA SER 70 HB1 SER 70 59.325 10.845 -4.643
4 HB3 SER 70 HG3 SER 70 61.558 12.857 -4.228
5 HB2 SER 70 HG2 SER 70 59.952 12.996 -3.519
No H/Q in entry = 5
Start of MODEL 4
1 H ASP 71 H ASP 71 62.892 10.697 -4.360
2 HA ASP 71 HB1 ASP 71 63.208 10.366 -7.266
3 HB3 ASP 71 HG3 ASP 71 64.817 11.651 -5.921
4 HB2 ASP 71 HG2 ASP 71 65.614 10.277 -6.679
No H/Q in entry = 4
Start of MODEL 4
1 H ILE 72 H ILE 72 63.304 8.274 -4.395
2 HB ILE 72 HG12 ILE 72 64.025 6.544 -3.208
3 HG12 ILE 72 HG13 ILE 72 66.059 5.119 -4.897
4 HG13 ILE 72 HG21 ILE 72 65.840 6.854 -5.107
5 HG21 ILE 72 HG22 ILE 72 64.208 3.773 -4.444
6 HG22 ILE 72 HG23 ILE 72 64.589 4.180 -2.771
7 HD11 ILE 72 HD12 ILE 72 66.254 5.621 -2.388
8 HD12 ILE 72 HD13 ILE 72 67.608 6.119 -3.406
9 HG23 ILE 72 HXT ILE 72 62.932 4.319 -3.355
10 HD13 ILE 72 HXT ILE 72 66.427 7.310 -2.858
11 HA ILE 72 HB1 ILE 72 63.858 5.928 -6.152
No H/Q in entry = 11
Start of MODEL 4
1 H LYS 73 H LYS 73 62.363 4.245 -6.379
2 HB2 LYS 73 HG2 LYS 73 60.549 5.047 -8.197
3 HB3 LYS 73 HG3 LYS 73 60.639 3.299 -7.989
4 HG2 LYS 73 HG3 LYS 73 58.568 3.675 -9.095
5 HG3 LYS 73 HD2 LYS 73 58.138 3.402 -7.406
6 HD2 LYS 73 HD3 LYS 73 58.006 5.819 -7.021
7 HE2 LYS 73 HE3 LYS 73 56.478 5.026 -9.532
8 HE3 LYS 73 HZ1 LYS 73 55.982 4.635 -7.873
9 HZ1 LYS 73 HZ2 LYS 73 56.508 7.373 -8.908
10 HZ2 LYS 73 HZ3 LYS 73 54.966 6.710 -8.644
11 HD3 LYS 73 HXT LYS 73 58.504 6.127 -8.685
12 HZ3 LYS 73 HXT LYS 73 56.008 6.981 -7.332
13 HA LYS 73 HB1 LYS 73 59.569 5.179 -5.869
No H/Q in entry = 13
Start of MODEL 4
1 H ASP 74 H ASP 74 61.770 2.511 -5.213
2 HA ASP 74 HB1 ASP 74 59.516 1.067 -3.906
3 HB3 ASP 74 HG3 ASP 74 61.312 -0.245 -5.967
4 HB2 ASP 74 HG2 ASP 74 59.701 0.372 -6.334
No H/Q in entry = 4
Start of MODEL 4
1 H ILE 75 H ILE 75 60.157 0.080 -2.059
2 HB ILE 75 HG12 ILE 75 62.439 1.607 -0.624
3 HG12 ILE 75 HG13 ILE 75 62.754 -0.486 1.537
4 HG13 ILE 75 HG21 ILE 75 64.067 -0.057 0.441
5 HG21 ILE 75 HG22 ILE 75 60.439 -0.069 0.924
6 HG22 ILE 75 HG23 ILE 75 60.832 1.616 1.266
7 HD11 ILE 75 HD12 ILE 75 63.525 2.398 1.145
8 HD12 ILE 75 HD13 ILE 75 62.714 1.648 2.519
9 HG23 ILE 75 HXT ILE 75 60.051 1.183 -0.256
10 HD13 ILE 75 HXT ILE 75 64.437 1.379 2.259
11 HA ILE 75 HB1 ILE 75 63.058 -0.558 -1.678
No H/Q in entry = 11
Start of MODEL 4
1 H ARG 76 H ARG 76 63.420 -2.480 -0.501
2 HB2 ARG 76 HG2 ARG 76 62.859 -4.911 -1.511
3 HB3 ARG 76 HG3 ARG 76 61.764 -5.934 -0.583
4 HG2 ARG 76 HD2 ARG 76 59.886 -4.379 -1.248
5 HG3 ARG 76 HD3 ARG 76 61.019 -3.576 -2.334
6 HD2 ARG 76 HD3 ARG 76 60.389 -6.548 -2.436
7 HE ARG 76 HH12 ARG 76 62.375 -4.833 -3.733
8 HH11 ARG 76 HH21 ARG 76 60.407 -7.703 -4.103
9 HH12 ARG 76 HH22 ARG 76 61.482 -8.411 -5.256
10 HD3 ARG 76 HXT ARG 76 59.666 -5.332 -3.506
11 HH21 ARG 76 HXT ARG 76 63.733 -5.786 -5.228
12 HH22 ARG 76 H1 ARG 76 63.345 -7.339 -5.889
13 HA ARG 76 HB1 ARG 76 61.093 -3.876 0.731
No H/Q in entry = 13
Start of MODEL 4
1 H VAL 77 H VAL 77 61.717 -4.890 2.601
2 HB VAL 77 HG12 VAL 77 62.052 -5.765 4.831
3 HG11 VAL 77 HG12 VAL 77 64.833 -5.099 5.848
4 HG12 VAL 77 HG13 VAL 77 63.438 -5.462 6.863
5 HG13 VAL 77 HG21 VAL 77 64.107 -6.706 5.807
6 HG21 VAL 77 HG22 VAL 77 63.460 -3.119 4.534
7 HG22 VAL 77 HG23 VAL 77 61.734 -3.469 4.458
8 HG23 VAL 77 HXT VAL 77 62.567 -3.480 6.011
9 HA VAL 77 HB1 VAL 77 64.573 -4.889 3.369
No H/Q in entry = 9
Start of MODEL 4
1 H VAL 78 H VAL 78 65.785 -6.798 3.761
2 HB VAL 78 HG12 VAL 78 67.485 -8.504 3.553
3 HG11 VAL 78 HG12 VAL 78 66.450 -10.848 1.965
4 HG12 VAL 78 HG13 VAL 78 68.137 -10.349 1.831
5 HG13 VAL 78 HG21 VAL 78 67.486 -10.854 3.391
6 HG21 VAL 78 HG22 VAL 78 66.392 -8.429 0.720
7 HG22 VAL 78 HG23 VAL 78 66.800 -7.026 1.707
8 HG23 VAL 78 HXT VAL 78 68.070 -8.125 1.167
9 HA VAL 78 HB1 VAL 78 64.753 -9.252 2.438
No H/Q in entry = 9
Start of MODEL 4
1 H ASN 79 H ASN 79 64.222 -11.088 3.588
2 HD21 ASN 79 HD22 ASN 79 60.599 -10.479 5.044
3 HD22 ASN 79 HXT ASN 79 60.742 -8.972 5.813
4 HA ASN 79 HB1 ASN 79 64.737 -11.094 6.549
5 HB3 ASN 79 HG3 ASN 79 62.521 -12.304 6.637
6 HB2 ASN 79 HG2 ASN 79 62.347 -11.995 4.910
No H/Q in entry = 6
Start of MODEL 4
1 H ASN 80 H ASN 80 64.484 -13.450 7.408
2 HD21 ASN 80 HD22 ASN 80 65.689 -14.767 10.360
3 HD22 ASN 80 HXT ASN 80 67.166 -13.932 10.330
4 HA ASN 80 HB1 ASN 80 66.368 -15.159 5.978
5 HB3 ASN 80 HG3 ASN 80 65.871 -16.674 7.931
6 HB2 ASN 80 HG2 ASN 80 64.632 -15.527 8.442
No H/Q in entry = 6
Start of MODEL 4
1 H HIS 81 H HIS 81 65.779 -17.525 5.578
2 HD1 HIS 81 HD2 HIS 81 67.508 -18.761 4.842
3 HD2 HIS 81 HE1 HIS 81 65.335 -19.154 1.308
4 HE1 HIS 81 HE2 HIS 81 69.122 -18.277 2.951
5 HA HIS 81 HB1 HIS 81 63.613 -17.730 3.697
6 HB3 HIS 81 HG3 HIS 81 64.220 -20.144 3.769
7 HB2 HIS 81 HG2 HIS 81 65.209 -19.831 5.183
No H/Q in entry = 7
Start of MODEL 4
1 H THR 82 H THR 82 63.899 -18.599 7.125
2 HG1 THR 82 HG21 THR 82 62.029 -21.536 6.701
3 HG21 THR 82 HG22 THR 82 60.749 -20.370 9.705
4 HG22 THR 82 HG23 THR 82 60.510 -21.551 8.417
5 HG23 THR 82 HXT THR 82 61.623 -21.902 9.738
6 HA THR 82 HB1 THR 82 60.985 -19.334 7.134
7 HB THR 82 HG12 THR 82 63.202 -20.299 8.968
No H/Q in entry = 7
Start of MODEL 4
1 H LEU 83 H LEU 83 59.716 -18.328 8.702
2 HD11 LEU 83 HD12 LEU 83 59.099 -16.300 7.046
3 HD12 LEU 83 HD13 LEU 83 59.986 -14.887 6.473
4 HD13 LEU 83 HD21 LEU 83 60.844 -16.200 7.279
5 HD21 LEU 83 HD22 LEU 83 57.745 -14.102 8.367
6 HD22 LEU 83 HD23 LEU 83 58.875 -13.078 9.252
7 HG LEU 83 HXT LEU 83 60.653 -14.607 8.988
8 HD23 LEU 83 HXT LEU 83 59.015 -13.236 7.501
9 HA LEU 83 HB1 LEU 83 61.055 -16.238 10.382
10 HB3 LEU 83 HG3 LEU 83 58.584 -15.397 10.373
11 HB2 LEU 83 HG2 LEU 83 58.360 -16.557 9.063
No H/Q in entry = 11
Start of MODEL 4
1 HB2 PRO 84 HG2 PRO 84 58.929 -16.197 15.652
2 HB3 PRO 84 HG3 PRO 84 60.635 -16.576 15.351
3 HG2 PRO 84 HD2 PRO 84 58.918 -14.487 14.126
4 HG3 PRO 84 HD3 PRO 84 60.633 -14.431 14.561
5 HD2 PRO 84 HD3 PRO 84 59.741 -14.752 12.009
6 HD3 PRO 84 HXT PRO 84 61.298 -15.379 12.589
7 HA PRO 84 HB1 PRO 84 59.782 -18.290 14.069
No H/Q in entry = 7
Start of MODEL 5
1 H1 GLY -3 H1 GLY -3 40.707 -2.857 24.425
2 H2 GLY -3 H2 GLY -3 39.355 -1.852 24.644
3 H3 GLY -3 H3 GLY -3 39.903 -2.831 25.919
4 HA2 GLY -3 HA3 GLY -3 38.593 -3.690 23.404
5 HA3 GLY -3 HXT GLY -3 38.009 -3.907 25.055
No H/Q in entry = 5
Start of MODEL 5
1 H ALA -2 H ALA -2 40.958 -4.627 23.141
2 HA ALA -2 HB1 ALA -2 41.295 -7.158 24.686
3 HB1 ALA -2 HB2 ALA -2 39.847 -7.424 22.598
4 HB2 ALA -2 HB3 ALA -2 41.285 -7.019 21.660
5 HB3 ALA -2 HXT ALA -2 41.269 -8.465 22.669
No H/Q in entry = 5
Start of MODEL 5
1 H MET -1 H MET -1 43.471 -8.023 24.498
2 HB2 MET -1 HG2 MET -1 45.481 -7.872 25.863
3 HB3 MET -1 HG3 MET -1 46.894 -6.967 25.322
4 HE1 MET -1 HE2 MET -1 47.740 -5.114 26.966
5 HE2 MET -1 HE3 MET -1 48.253 -5.356 25.290
6 HE3 MET -1 HXT MET -1 48.382 -3.764 26.035
7 HA MET -1 HB1 MET -1 45.481 -6.064 23.426
8 HG3 MET -1 HD3 MET -1 45.507 -5.830 27.126
9 HG2 MET -1 HD2 MET -1 44.233 -5.654 25.920
No H/Q in entry = 9
Start of MODEL 5
1 H ALA 0 H ALA 0 47.407 -7.010 22.501
2 HA ALA 0 HB1 ALA 0 47.403 -9.955 22.037
3 HB1 ALA 0 HB2 ALA 0 46.102 -8.796 20.239
4 HB2 ALA 0 HB3 ALA 0 47.537 -7.845 19.857
5 HB3 ALA 0 HXT ALA 0 47.548 -9.592 19.620
No H/Q in entry = 5
Start of MODEL 5
1 H MET 1 H MET 1 49.512 -10.737 21.354
2 HB2 MET 1 HG2 MET 1 51.437 -11.874 22.082
3 HB3 MET 1 HG3 MET 1 52.953 -11.041 22.428
4 HE1 MET 1 HE2 MET 1 53.963 -10.709 24.176
5 HE2 MET 1 HE3 MET 1 53.989 -10.875 25.930
6 HE3 MET 1 HXT MET 1 54.494 -12.224 24.903
7 HA MET 1 HB1 MET 1 51.747 -8.856 22.017
8 HG3 MET 1 HD3 MET 1 50.341 -10.752 23.938
9 HG2 MET 1 HD2 MET 1 51.765 -9.752 24.225
No H/Q in entry = 9
Start of MODEL 5
1 H SER 2 H SER 2 53.513 -8.692 20.576
2 HG SER 2 HXT SER 2 55.119 -7.058 18.366
3 HA SER 2 HB1 SER 2 53.261 -10.118 17.948
4 HB3 SER 2 HG3 SER 2 52.412 -7.763 17.921
5 HB2 SER 2 HG2 SER 2 53.805 -7.993 16.867
No H/Q in entry = 5
Start of MODEL 5
1 H GLY 3 H GLY 3 55.316 -10.412 16.845
2 HA2 GLY 3 HA3 GLY 3 57.462 -11.450 18.070
3 HA3 GLY 3 HXT GLY 3 57.783 -9.736 18.335
No H/Q in entry = 3
Start of MODEL 5
1 H GLY 4 H GLY 4 56.710 -8.810 15.828
2 HA2 GLY 4 HA3 GLY 4 57.158 -9.538 13.400
3 HA3 GLY 4 HXT GLY 4 58.796 -9.873 13.963
No H/Q in entry = 3
Start of MODEL 5
1 H LEU 5 H LEU 5 59.200 -7.655 15.632
2 HD11 LEU 5 HD12 LEU 5 57.983 -3.406 15.085
3 HD12 LEU 5 HD13 LEU 5 57.953 -3.210 16.837
4 HD13 LEU 5 HD21 LEU 5 58.674 -1.960 15.823
5 HD21 LEU 5 HD22 LEU 5 61.470 -3.885 17.473
6 HD22 LEU 5 HD23 LEU 5 60.853 -2.247 17.256
7 HG LEU 5 HXT LEU 5 60.487 -3.457 15.189
8 HD23 LEU 5 HXT LEU 5 59.913 -3.428 18.167
9 HA LEU 5 HB1 LEU 5 58.563 -5.171 14.218
10 HB3 LEU 5 HG3 LEU 5 60.565 -5.718 16.431
11 HB2 LEU 5 HG2 LEU 5 58.840 -5.480 16.711
No H/Q in entry = 11
Start of MODEL 5
1 HB2 PRO 6 HG2 PRO 6 62.253 -2.759 10.785
2 HB3 PRO 6 HG3 PRO 6 61.060 -3.867 10.080
3 HG2 PRO 6 HD2 PRO 6 60.727 -1.849 12.233
4 HG3 PRO 6 HD3 PRO 6 59.611 -2.322 10.944
5 HD2 PRO 6 HD3 PRO 6 59.353 -3.149 13.521
6 HD3 PRO 6 HXT PRO 6 58.785 -4.096 12.129
7 HA PRO 6 HB1 PRO 6 62.054 -5.429 11.452
No H/Q in entry = 7
Start of MODEL 5
1 H GLU 7 H GLU 7 63.939 -5.845 12.581
2 HB2 GLU 7 HG2 GLU 7 66.249 -6.248 12.802
3 HB3 GLU 7 HG3 GLU 7 67.050 -5.659 14.259
4 HA GLU 7 HB1 GLU 7 65.000 -4.273 14.737
5 HG3 GLU 7 HD3 GLU 7 64.422 -7.171 14.152
6 HG2 GLU 7 HD2 GLU 7 65.152 -6.520 15.619
No H/Q in entry = 6
Start of MODEL 5
1 H LEU 8 H LEU 8 66.369 -2.505 14.720
2 HD11 LEU 8 HD12 LEU 8 67.587 1.288 16.174
3 HD12 LEU 8 HD13 LEU 8 65.853 1.534 16.372
4 HD13 LEU 8 HD21 LEU 8 66.596 0.029 16.911
5 HD21 LEU 8 HD22 LEU 8 66.129 0.970 12.797
6 HD22 LEU 8 HD23 LEU 8 64.867 1.454 13.928
7 HG LEU 8 HXT LEU 8 65.610 -0.569 14.858
8 HD23 LEU 8 HXT LEU 8 66.464 2.195 14.020
9 HA LEU 8 HB1 LEU 8 66.779 -0.911 12.371
10 HB3 LEU 8 HG3 LEU 8 68.333 0.328 13.910
11 HB2 LEU 8 HG2 LEU 8 68.152 -0.983 15.076
No H/Q in entry = 11
Start of MODEL 5
1 H GLY 9 H GLY 9 68.754 -0.527 11.188
2 HA2 GLY 9 HA3 GLY 9 71.162 -2.091 11.697
3 HA3 GLY 9 HXT GLY 9 70.898 -0.979 10.372
No H/Q in entry = 3
Start of MODEL 5
1 H SER 10 H SER 10 68.278 -3.015 10.254
2 HG SER 10 HXT SER 10 66.511 -4.633 10.692
3 HA SER 10 HB1 SER 10 69.284 -5.456 9.172
4 HB3 SER 10 HG3 SER 10 66.965 -5.517 8.128
5 HB2 SER 10 HG2 SER 10 66.727 -3.886 8.750
No H/Q in entry = 5
Start of MODEL 5
1 H LYS 11 H LYS 11 69.500 -6.120 6.946
2 HB2 LYS 11 HG2 LYS 11 71.193 -5.949 3.789
3 HB3 LYS 11 HG3 LYS 11 71.580 -6.278 5.473
4 HG2 LYS 11 HG3 LYS 11 69.361 -7.519 5.628
5 HG3 LYS 11 HD2 LYS 11 69.245 -7.359 3.877
6 HD2 LYS 11 HD3 LYS 11 71.522 -8.448 3.718
7 HE2 LYS 11 HE3 LYS 11 69.226 -9.988 4.987
8 HE3 LYS 11 HZ1 LYS 11 69.555 -9.794 3.254
9 HZ1 LYS 11 HZ2 LYS 11 71.397 -11.050 5.221
10 HZ2 LYS 11 HZ3 LYS 11 70.444 -11.895 4.097
11 HD3 LYS 11 HXT LYS 11 71.401 -8.790 5.445
12 HZ3 LYS 11 HXT LYS 11 71.689 -10.871 3.559
13 HA LYS 11 HB1 LYS 11 70.540 -4.033 5.167
No H/Q in entry = 13
Start of MODEL 5
1 H ILE 12 H ILE 12 69.312 -2.941 3.714
2 HB ILE 12 HG12 ILE 12 67.457 -1.276 3.292
3 HG12 ILE 12 HG13 ILE 12 65.495 -3.081 4.744
4 HG13 ILE 12 HG21 ILE 12 67.130 -2.758 5.318
5 HG21 ILE 12 HG22 ILE 12 65.842 -1.558 1.434
6 HG22 ILE 12 HG23 ILE 12 64.824 -2.554 2.475
7 HD11 ILE 12 HD12 ILE 12 66.518 -0.267 5.159
8 HD12 ILE 12 HD13 ILE 12 64.847 -0.805 5.001
9 HG23 ILE 12 HXT ILE 12 65.065 -0.848 2.850
10 HD13 ILE 12 HXT ILE 12 65.761 -1.185 6.460
11 HA ILE 12 HB1 ILE 12 66.747 -4.186 2.771
No H/Q in entry = 11
Start of MODEL 5
1 H SER 13 H SER 13 66.320 -4.065 0.569
2 HG SER 13 HXT SER 13 68.262 -4.216 -3.351
3 HA SER 13 HB1 SER 13 68.493 -3.055 -1.207
4 HB3 SER 13 HG3 SER 13 66.109 -4.892 -1.621
5 HB2 SER 13 HG2 SER 13 67.790 -5.390 -1.456
No H/Q in entry = 5
Start of MODEL 5
1 H LEU 14 H LEU 14 68.041 -1.410 -2.697
2 HD11 LEU 14 HD12 LEU 14 65.392 1.521 -0.038
3 HD12 LEU 14 HD13 LEU 14 64.545 2.936 -0.663
4 HD13 LEU 14 HD21 LEU 14 64.336 1.368 -1.442
5 HD21 LEU 14 HD22 LEU 14 67.699 3.102 -0.512
6 HD22 LEU 14 HD23 LEU 14 67.605 3.940 -2.061
7 HG LEU 14 HXT LEU 14 65.853 2.580 -2.835
8 HD23 LEU 14 HXT LEU 14 66.359 4.202 -0.840
9 HA LEU 14 HB1 LEU 14 65.366 -0.081 -2.454
10 HB3 LEU 14 HG3 LEU 14 68.029 1.347 -2.470
11 HB2 LEU 14 HG2 LEU 14 67.350 0.717 -0.970
No H/Q in entry = 11
Start of MODEL 5
1 H ILE 15 H ILE 15 64.542 0.352 -4.472
2 HB ILE 15 HG12 ILE 15 63.401 -0.056 -6.590
3 HG12 ILE 15 HG13 ILE 15 65.536 -2.116 -7.217
4 HG13 ILE 15 HG21 ILE 15 64.913 -1.856 -5.588
5 HG21 ILE 15 HG22 ILE 15 64.217 0.857 -8.789
6 HG22 ILE 15 HG23 ILE 15 65.245 -0.567 -8.946
7 HD11 ILE 15 HD12 ILE 15 62.568 -2.135 -6.718
8 HD12 ILE 15 HD13 ILE 15 63.480 -2.918 -8.010
9 HG23 ILE 15 HXT ILE 15 63.490 -0.745 -8.918
10 HD13 ILE 15 HXT ILE 15 63.529 -3.573 -6.373
11 HA ILE 15 HB1 ILE 15 66.414 0.334 -6.812
No H/Q in entry = 11
Start of MODEL 5
1 H SER 16 H SER 16 66.895 2.336 -7.593
2 HG SER 16 HXT SER 16 68.570 5.109 -6.144
3 HA SER 16 HB1 SER 16 65.201 4.672 -6.912
4 HB3 SER 16 HG3 SER 16 67.175 5.907 -7.710
5 HB2 SER 16 HG2 SER 16 67.889 4.402 -8.281
No H/Q in entry = 5
Start of MODEL 5
1 H LYS 17 H LYS 17 64.651 6.246 -8.609
2 HB2 LYS 17 HG2 LYS 17 63.039 7.465 -9.570
3 HB3 LYS 17 HG3 LYS 17 64.360 7.899 -10.655
4 HG2 LYS 17 HG3 LYS 17 62.373 8.633 -11.749
5 HG3 LYS 17 HD2 LYS 17 62.836 7.144 -12.571
6 HD2 LYS 17 HD3 LYS 17 61.225 5.866 -11.260
7 HE2 LYS 17 HE3 LYS 17 60.547 7.381 -13.314
8 HE3 LYS 17 HZ1 LYS 17 59.265 6.651 -12.327
9 HZ1 LYS 17 HZ2 LYS 17 60.442 9.347 -11.897
10 HZ2 LYS 17 HZ3 LYS 17 58.924 9.045 -12.598
11 HD3 LYS 17 HXT LYS 17 60.817 7.298 -10.315
12 HZ3 LYS 17 HXT LYS 17 59.202 8.643 -10.974
13 HA LYS 17 HB1 LYS 17 63.043 5.176 -10.646
No H/Q in entry = 13
Start of MODEL 5
1 H ALA 18 H ALA 18 66.490 5.564 -10.766
2 HA ALA 18 HB1 ALA 18 66.618 5.755 -13.708
3 HB1 ALA 18 HB2 ALA 18 69.140 5.531 -13.029
4 HB2 ALA 18 HB3 ALA 18 68.275 6.999 -12.575
5 HB3 ALA 18 HXT ALA 18 68.539 5.726 -11.379
No H/Q in entry = 5
Start of MODEL 5
1 H ASP 19 H ASP 19 65.530 3.294 -12.146
2 HA ASP 19 HB1 ASP 19 65.720 0.953 -12.138
3 HB3 ASP 19 HG3 ASP 19 66.616 0.041 -14.295
4 HB2 ASP 19 HG2 ASP 19 67.161 1.662 -14.719
No H/Q in entry = 4
Start of MODEL 5
1 H ILE 20 H ILE 20 67.760 2.535 -10.752
2 HB ILE 20 HG12 ILE 20 69.694 3.339 -9.407
3 HG12 ILE 20 HG13 ILE 20 71.112 3.107 -12.082
4 HG13 ILE 20 HG21 ILE 20 69.463 3.692 -11.889
5 HG21 ILE 20 HG22 ILE 20 72.253 1.925 -10.229
6 HG22 ILE 20 HG23 ILE 20 72.183 3.464 -9.372
7 HD11 ILE 20 HD12 ILE 20 70.368 5.432 -10.283
8 HD12 ILE 20 HD13 ILE 20 71.987 4.938 -10.777
9 HG23 ILE 20 HXT ILE 20 71.582 1.997 -8.600
10 HD13 ILE 20 HXT ILE 20 70.879 5.635 -11.959
11 HA ILE 20 HB1 ILE 20 70.214 0.846 -11.071
No H/Q in entry = 11
Start of MODEL 5
1 H ARG 21 H ARG 21 70.861 -0.523 -9.379
2 HB2 ARG 21 HG2 ARG 21 69.526 -2.696 -8.855
3 HB3 ARG 21 HG3 ARG 21 71.086 -2.750 -8.034
4 HG2 ARG 21 HD2 ARG 21 69.982 -3.262 -5.908
5 HG3 ARG 21 HD3 ARG 21 68.401 -3.141 -6.681
6 HD2 ARG 21 HD3 ARG 21 69.075 -5.005 -8.230
7 HE ARG 21 HH12 ARG 21 67.876 -5.964 -6.423
8 HH11 ARG 21 HH21 ARG 21 71.035 -4.918 -5.339
9 HH12 ARG 21 HH22 ARG 21 70.855 -5.656 -3.787
10 HD3 ARG 21 HXT ARG 21 70.561 -5.193 -7.279
11 HH21 ARG 21 HXT ARG 21 67.690 -6.901 -4.402
12 HH22 ARG 21 H1 ARG 21 68.984 -6.766 -3.259
13 HA ARG 21 HB1 ARG 21 68.886 -0.863 -7.155
No H/Q in entry = 13
Start of MODEL 5
1 H TYR 22 H TYR 22 69.523 0.055 -5.277
2 HD1 TYR 22 HD2 TYR 22 73.503 2.934 -4.173
3 HD2 TYR 22 HE1 TYR 22 69.579 2.600 -5.965
4 HE1 TYR 22 HE2 TYR 22 74.155 4.598 -5.914
5 HE2 TYR 22 HH TYR 22 70.233 4.268 -7.713
6 HH TYR 22 HXT TYR 22 72.744 6.308 -7.455
7 HA TYR 22 HB1 TYR 22 72.430 0.081 -4.543
8 HB3 TYR 22 HG3 TYR 22 71.631 1.893 -2.973
9 HB2 TYR 22 HG2 TYR 22 70.047 1.752 -3.702
No H/Q in entry = 9
Start of MODEL 5
1 H GLU 23 H GLU 23 72.959 -0.752 -2.446
2 HB2 GLU 23 HG2 GLU 23 71.677 -3.549 -2.300
3 HB3 GLU 23 HG3 GLU 23 73.224 -3.320 -1.483
4 HA GLU 23 HB1 GLU 23 70.699 -1.791 -0.775
5 HG3 GLU 23 HD3 GLU 23 70.628 -4.224 -0.202
6 HG2 GLU 23 HD2 GLU 23 72.113 -3.877 0.685
No H/Q in entry = 6
Start of MODEL 5
1 H GLY 24 H GLY 24 71.116 -1.581 1.454
2 HA2 GLY 24 HA3 GLY 24 72.874 0.409 2.335
3 HA3 GLY 24 HXT GLY 24 73.778 -1.094 2.508
No H/Q in entry = 3
Start of MODEL 5
1 H ARG 25 H ARG 25 73.590 -0.201 4.842
2 HB2 ARG 25 HG2 ARG 25 73.846 -0.038 7.115
3 HB3 ARG 25 HG3 ARG 25 72.838 -0.961 8.230
4 HG2 ARG 25 HD2 ARG 25 73.409 -3.038 6.967
5 HG3 ARG 25 HD3 ARG 25 74.503 -2.089 5.960
6 HD2 ARG 25 HD3 ARG 25 75.717 -1.391 8.067
7 HE ARG 25 HH12 ARG 25 75.970 -3.716 6.579
8 HH11 ARG 25 HH21 ARG 25 76.439 -2.943 9.961
9 HH12 ARG 25 HH22 ARG 25 77.640 -4.168 10.175
10 HD3 ARG 25 HXT ARG 25 74.720 -2.561 8.951
11 HH21 ARG 25 HXT ARG 25 77.527 -5.283 6.904
12 HH22 ARG 25 H1 ARG 25 78.251 -5.478 8.466
13 HA ARG 25 HB1 ARG 25 71.513 -1.764 6.237
No H/Q in entry = 13
Start of MODEL 5
1 H LEU 26 H LEU 26 69.665 -0.894 7.135
2 HD11 LEU 26 HD12 LEU 26 65.917 1.337 6.273
3 HD12 LEU 26 HD13 LEU 26 65.328 2.722 7.191
4 HD13 LEU 26 HD21 LEU 26 66.983 2.706 6.583
5 HD21 LEU 26 HD22 LEU 26 65.284 -0.204 8.451
6 HD22 LEU 26 HD23 LEU 26 65.708 0.544 9.991
7 HG LEU 26 HXT LEU 26 67.050 2.194 8.950
8 HD23 LEU 26 HXT LEU 26 64.598 1.361 8.890
9 HA LEU 26 HB1 LEU 26 68.818 1.821 6.762
10 HB3 LEU 26 HG3 LEU 26 67.941 -0.184 8.855
11 HB2 LEU 26 HG2 LEU 26 67.428 -0.227 7.170
No H/Q in entry = 11
Start of MODEL 5
1 H TYR 27 H TYR 27 69.741 3.584 7.808
2 HD1 TYR 27 HD2 TYR 27 72.925 3.795 11.291
3 HD2 TYR 27 HE1 TYR 27 71.897 7.541 9.391
4 HE1 TYR 27 HE2 TYR 27 74.272 5.027 12.994
5 HE2 TYR 27 HH TYR 27 73.243 8.773 11.096
6 HH TYR 27 HXT TYR 27 74.066 7.734 13.901
7 HA TYR 27 HB1 TYR 27 70.957 3.224 10.504
8 HB3 TYR 27 HG3 TYR 27 70.986 5.556 8.575
9 HB2 TYR 27 HG2 TYR 27 72.173 4.265 8.578
No H/Q in entry = 9
Start of MODEL 5
1 H THR 28 H THR 28 68.702 5.439 8.803
2 HG1 THR 28 HG21 THR 28 68.376 8.304 8.977
3 HG21 THR 28 HG22 THR 28 68.603 6.732 12.702
4 HG22 THR 28 HG23 THR 28 70.028 6.944 11.686
5 HG23 THR 28 HXT THR 28 69.287 8.340 12.467
6 HA THR 28 HB1 THR 28 67.133 5.787 11.291
7 HB THR 28 HG12 THR 28 67.442 8.328 11.013
No H/Q in entry = 7
Start of MODEL 5
1 H VAL 29 H VAL 29 65.079 6.865 10.876
2 HB VAL 29 HG12 VAL 29 63.962 4.919 8.611
3 HG11 VAL 29 HG12 VAL 29 62.095 6.081 10.702
4 HG12 VAL 29 HG13 VAL 29 62.229 4.372 10.292
5 HG13 VAL 29 HG21 VAL 29 63.594 5.212 11.026
6 HG21 VAL 29 HG22 VAL 29 61.681 6.775 8.012
7 HG22 VAL 29 HG23 VAL 29 62.444 5.572 6.975
8 HG23 VAL 29 HXT VAL 29 61.343 5.063 8.254
9 HA VAL 29 HB1 VAL 29 64.371 7.302 8.015
No H/Q in entry = 9
Start of MODEL 5
1 H ASP 30 H ASP 30 62.689 8.821 7.742
2 HA ASP 30 HB1 ASP 30 61.487 9.973 10.239
3 HB3 ASP 30 HG3 ASP 30 62.150 11.565 7.767
4 HB2 ASP 30 HG2 ASP 30 63.402 11.215 8.959
No H/Q in entry = 4
Start of MODEL 5
1 HB2 PRO 31 HG2 PRO 31 56.445 9.141 9.956
2 HB3 PRO 31 HG3 PRO 31 56.574 7.594 9.098
3 HG2 PRO 31 HD2 PRO 31 57.649 7.979 11.522
4 HG3 PRO 31 HD3 PRO 31 58.382 6.913 10.314
5 HD2 PRO 31 HD3 PRO 31 59.207 9.636 11.177
6 HD3 PRO 31 HXT PRO 31 60.202 8.259 10.656
7 HA PRO 31 HB1 PRO 31 58.088 8.424 7.591
No H/Q in entry = 7
Start of MODEL 5
1 H GLN 32 H GLN 32 58.024 11.390 9.574
2 HB2 GLN 32 HG2 GLN 32 56.207 12.769 10.597
3 HB3 GLN 32 HG3 GLN 32 57.556 13.800 10.119
4 HE21 GLN 32 HE22 GLN 32 55.360 17.162 10.162
5 HE22 GLN 32 HXT GLN 32 55.346 17.172 11.859
6 HA GLN 32 HB1 GLN 32 55.689 12.455 8.135
7 HG3 GLN 32 HD3 GLN 32 54.642 14.269 9.420
8 HG2 GLN 32 HD2 GLN 32 55.990 15.293 8.924
No H/Q in entry = 8
Start of MODEL 5
1 H GLU 33 H GLU 33 59.189 12.825 8.004
2 HB2 GLU 33 HG2 GLU 33 61.266 13.301 7.152
3 HB3 GLU 33 HG3 GLU 33 61.527 14.635 6.028
4 HA GLU 33 HB1 GLU 33 59.033 15.031 6.051
5 HG3 GLU 33 HD3 GLU 33 60.294 14.824 8.792
6 HG2 GLU 33 HD2 GLU 33 60.396 16.166 7.652
No H/Q in entry = 6
Start of MODEL 5
1 H CYS 34 H CYS 34 58.329 11.779 5.767
2 HG CYS 34 HXT CYS 34 55.958 11.118 2.294
3 HA CYS 34 HB1 CYS 34 58.453 10.178 4.041
4 HB3 CYS 34 HG3 CYS 34 58.349 11.390 1.742
5 HB2 CYS 34 HG2 CYS 34 58.345 12.874 2.694
No H/Q in entry = 5
Start of MODEL 5
1 H THR 35 H THR 35 61.026 10.766 5.219
2 HG1 THR 35 HG21 THR 35 63.403 13.235 5.790
3 HG21 THR 35 HG22 THR 35 61.915 12.826 2.772
4 HG22 THR 35 HG23 THR 35 62.825 14.082 3.612
5 HG23 THR 35 HXT THR 35 63.606 13.113 2.363
6 HA THR 35 HB1 THR 35 62.832 10.512 2.835
7 HB THR 35 HG12 THR 35 64.393 12.021 4.234
No H/Q in entry = 7
Start of MODEL 5
1 H ILE 36 H ILE 36 64.798 9.346 3.287
2 HB ILE 36 HG12 ILE 36 65.338 5.888 4.884
3 HG12 ILE 36 HG13 ILE 36 64.298 7.238 2.376
4 HG13 ILE 36 HG21 ILE 36 66.010 6.908 2.641
5 HG21 ILE 36 HG22 ILE 36 63.063 6.980 5.648
6 HG22 ILE 36 HG23 ILE 36 62.709 6.970 3.920
7 HD11 ILE 36 HD12 ILE 36 65.426 4.491 2.996
8 HD12 ILE 36 HD13 ILE 36 63.766 4.873 2.538
9 HG23 ILE 36 HXT ILE 36 63.055 5.457 4.758
10 HD13 ILE 36 HXT ILE 36 65.071 5.068 1.368
11 HA ILE 36 HB1 ILE 36 65.055 8.110 5.989
No H/Q in entry = 11
Start of MODEL 5
1 H ALA 37 H ALA 37 67.236 7.175 6.319
2 HA ALA 37 HB1 ALA 37 69.288 8.029 4.315
3 HB1 ALA 37 HB2 ALA 37 68.837 9.478 6.507
4 HB2 ALA 37 HB3 ALA 37 70.482 9.201 5.932
5 HB3 ALA 37 HXT ALA 37 69.836 8.232 7.258
No H/Q in entry = 5
Start of MODEL 5
1 H LEU 38 H LEU 38 70.639 6.368 3.834
2 HD11 LEU 38 HD12 LEU 38 69.381 3.810 1.127
3 HD12 LEU 38 HD13 LEU 38 69.463 2.146 1.707
4 HD13 LEU 38 HD21 LEU 38 67.922 3.003 1.702
5 HD21 LEU 38 HD22 LEU 38 69.428 1.817 4.428
6 HD22 LEU 38 HD23 LEU 38 68.528 3.114 5.216
7 HG LEU 38 HXT LEU 38 68.786 4.572 3.400
8 HD23 LEU 38 HXT LEU 38 67.786 2.195 3.905
9 HA LEU 38 HB1 LEU 38 70.607 3.947 5.602
10 HB3 LEU 38 HG3 LEU 38 71.236 2.788 3.476
11 HB2 LEU 38 HG2 LEU 38 71.191 4.343 2.645
No H/Q in entry = 11
Start of MODEL 5
1 H SER 39 H SER 39 72.629 3.002 6.163
2 HG SER 39 HXT SER 39 74.874 2.399 8.815
3 HA SER 39 HB1 SER 39 75.025 4.735 5.623
4 HB3 SER 39 HG3 SER 39 74.117 4.725 7.955
5 HB2 SER 39 HG2 SER 39 75.743 4.051 7.876
No H/Q in entry = 5
Start of MODEL 5
1 H SER 40 H SER 40 77.051 3.563 5.350
2 HG SER 40 HXT SER 40 76.719 -1.044 6.160
3 HA SER 40 HB1 SER 40 78.227 1.984 4.047
4 HB3 SER 40 HG3 SER 40 78.000 1.079 6.431
5 HB2 SER 40 HG2 SER 40 78.369 -0.113 5.191
No H/Q in entry = 5
Start of MODEL 5
1 H VAL 41 H VAL 41 77.128 2.359 2.052
2 HB VAL 41 HG12 VAL 41 74.023 2.263 1.831
3 HG11 VAL 41 HG12 VAL 41 75.940 3.796 1.264
4 HG12 VAL 41 HG13 VAL 41 75.562 3.536 -0.443
5 HG13 VAL 41 HG21 VAL 41 74.383 4.314 0.613
6 HG21 VAL 41 HG22 VAL 41 74.089 1.179 -0.949
7 HG22 VAL 41 HG23 VAL 41 72.765 1.217 0.215
8 HG23 VAL 41 HXT VAL 41 73.180 2.668 -0.695
9 HA VAL 41 HB1 VAL 41 75.250 0.175 1.249
No H/Q in entry = 9
Start of MODEL 5
1 H ARG 42 H ARG 42 75.485 -0.488 -0.922
2 HB2 ARG 42 HG2 ARG 42 78.193 -1.465 -1.330
3 HB3 ARG 42 HG3 ARG 42 76.934 -2.172 -2.344
4 HG2 ARG 42 HD2 ARG 42 78.248 -1.186 -4.337
5 HG3 ARG 42 HD3 ARG 42 79.577 -0.991 -3.195
6 HD2 ARG 42 HD3 ARG 42 78.149 -3.627 -3.702
7 HE ARG 42 HH12 ARG 42 79.674 -2.851 -1.528
8 HH11 ARG 42 HH21 ARG 42 80.198 -5.104 -4.155
9 HH12 ARG 42 HH22 ARG 42 81.234 -6.116 -3.210
10 HD3 ARG 42 HXT ARG 42 79.698 -3.167 -4.433
11 HH21 ARG 42 HXT ARG 42 81.016 -4.189 -0.347
12 HH22 ARG 42 H1 ARG 42 81.693 -5.606 -1.078
13 HA ARG 42 HB1 ARG 42 77.739 0.753 -2.470
No H/Q in entry = 13
Start of MODEL 5
1 H SER 43 H SER 43 77.433 0.743 -4.781
2 HG SER 43 HXT SER 43 77.130 1.908 -8.011
3 HA SER 43 HB1 SER 43 74.613 0.263 -5.678
4 HB3 SER 43 HG3 SER 43 75.632 2.559 -5.819
5 HB2 SER 43 HG2 SER 43 75.140 1.924 -7.387
No H/Q in entry = 5
Start of MODEL 5
1 H PHE 44 H PHE 44 74.255 -1.249 -7.301
2 HD1 PHE 44 HD2 PHE 44 75.506 -6.007 -7.663
3 HD2 PHE 44 HE1 PHE 44 73.074 -2.862 -5.966
4 HE1 PHE 44 HE2 PHE 44 75.333 -7.291 -5.530
5 HE2 PHE 44 HZ PHE 44 72.901 -4.146 -3.832
6 HZ PHE 44 HXT PHE 44 74.031 -6.362 -3.614
7 HA PHE 44 HB1 PHE 44 76.468 -3.107 -7.849
8 HB3 PHE 44 HG3 PHE 44 74.495 -4.265 -9.071
9 HB2 PHE 44 HG2 PHE 44 73.507 -2.992 -8.378
No H/Q in entry = 9
Start of MODEL 5
1 H GLY 45 H GLY 45 74.397 -0.904 -9.771
2 HA2 GLY 45 HA3 GLY 45 75.641 -1.595 -12.295
3 HA3 GLY 45 HXT GLY 45 76.350 -0.146 -11.592
No H/Q in entry = 3
Start of MODEL 5
1 H THR 46 H THR 46 75.427 0.779 -13.646
2 HG1 THR 46 HG21 THR 46 75.500 3.547 -14.932
3 HG21 THR 46 HG22 THR 46 73.318 2.978 -11.912
4 HG22 THR 46 HG23 THR 46 74.286 4.372 -12.396
5 HG23 THR 46 HXT THR 46 72.591 4.269 -12.867
6 HA THR 46 HB1 THR 46 72.513 1.452 -13.360
7 HB THR 46 HG12 THR 46 73.427 3.479 -14.823
No H/Q in entry = 7
Start of MODEL 5
1 H GLU 47 H GLU 47 74.307 -0.622 -15.071
2 HB2 GLU 47 HG2 GLU 47 75.348 -1.955 -16.541
3 HB3 GLU 47 HG3 GLU 47 73.730 -2.634 -16.718
4 HA GLU 47 HB1 GLU 47 74.512 0.103 -17.743
5 HG3 GLU 47 HD3 GLU 47 73.950 -2.215 -19.217
6 HG2 GLU 47 HD2 GLU 47 75.016 -3.460 -18.567
No H/Q in entry = 6
Start of MODEL 5
1 H ASP 48 H ASP 48 71.565 -0.847 -16.057
2 HA ASP 48 HB1 ASP 48 69.965 -1.538 -18.351
3 HB3 ASP 48 HG3 ASP 48 68.090 -1.047 -16.736
4 HB2 ASP 48 HG2 ASP 48 69.293 -0.411 -15.613
No H/Q in entry = 4
Start of MODEL 5
1 H ARG 49 H ARG 49 69.897 1.494 -16.425
2 HB2 ARG 49 HG2 ARG 49 69.143 3.425 -15.798
3 HB3 ARG 49 HG3 ARG 49 68.780 4.786 -16.858
4 HG2 ARG 49 HD2 ARG 49 67.095 2.314 -17.076
5 HG3 ARG 49 HD3 ARG 49 66.823 3.404 -15.717
6 HD2 ARG 49 HD3 ARG 49 65.390 4.351 -17.300
7 HE ARG 49 HH12 ARG 49 67.081 4.034 -19.668
8 HH11 ARG 49 HH21 ARG 49 64.844 2.415 -17.519
9 HH12 ARG 49 HH22 ARG 49 64.376 1.259 -18.717
10 HD3 ARG 49 HXT ARG 49 66.876 5.251 -17.656
11 HH21 ARG 49 HXT ARG 49 66.447 2.519 -21.183
12 HH22 ARG 49 H1 ARG 49 65.272 1.314 -20.768
13 HA ARG 49 HB1 ARG 49 68.748 2.955 -18.741
No H/Q in entry = 13
Start of MODEL 5
1 H ASP 50 H ASP 50 71.795 2.087 -18.206
2 HA ASP 50 HB1 ASP 50 73.304 4.418 -17.585
3 HB3 ASP 50 HG3 ASP 50 74.121 2.082 -17.522
4 HB2 ASP 50 HG2 ASP 50 75.183 3.102 -18.483
No H/Q in entry = 4
Start of MODEL 5
1 H THR 51 H THR 51 74.763 5.608 -19.072
2 HG1 THR 51 HG21 THR 51 73.820 8.351 -19.868
3 HG21 THR 51 HG22 THR 51 74.394 8.398 -22.422
4 HG22 THR 51 HG23 THR 51 75.611 9.345 -21.566
5 HG23 THR 51 HXT THR 51 76.105 8.017 -22.618
6 HA THR 51 HB1 THR 51 73.465 6.528 -21.529
7 HB THR 51 HG12 THR 51 76.265 7.053 -20.491
No H/Q in entry = 7
Start of MODEL 5
1 H GLN 52 H GLN 52 74.685 6.495 -23.636
2 HB2 GLN 52 HG2 GLN 52 75.724 4.695 -26.553
3 HB3 GLN 52 HG3 GLN 52 74.185 5.077 -25.789
4 HE21 GLN 52 HE22 GLN 52 73.515 7.739 -27.340
5 HE22 GLN 52 HXT GLN 52 74.168 7.769 -28.907
6 HA GLN 52 HB1 GLN 52 75.573 3.777 -24.243
7 HG3 GLN 52 HD3 GLN 52 76.498 7.013 -25.670
8 HG2 GLN 52 HD2 GLN 52 74.780 7.340 -25.453
No H/Q in entry = 8
Start of MODEL 5
1 H PHE 53 H PHE 53 77.263 6.350 -22.889
2 HD1 PHE 53 HD2 PHE 53 78.420 7.365 -25.243
3 HD2 PHE 53 HE1 PHE 53 81.735 9.001 -23.000
4 HE1 PHE 53 HE2 PHE 53 79.042 8.785 -27.198
5 HE2 PHE 53 HZ PHE 53 82.359 10.418 -24.958
6 HZ PHE 53 HXT PHE 53 81.012 10.311 -27.056
7 HA PHE 53 HB1 PHE 53 79.865 5.481 -24.039
8 HB3 PHE 53 HG3 PHE 53 80.485 7.229 -22.096
9 HB2 PHE 53 HG2 PHE 53 78.804 7.676 -22.314
No H/Q in entry = 9
Start of MODEL 5
1 H GLN 54 H GLN 54 81.547 4.689 -22.528
2 HB2 GLN 54 HG2 GLN 54 83.294 3.763 -21.281
3 HB3 GLN 54 HG3 GLN 54 83.001 2.280 -20.373
4 HE21 GLN 54 HE22 GLN 54 83.820 1.879 -24.741
5 HE22 GLN 54 HXT GLN 54 85.291 1.202 -24.235
6 HA GLN 54 HB1 GLN 54 80.538 2.576 -20.818
7 HG3 GLN 54 HD3 GLN 54 82.271 2.766 -23.276
8 HG2 GLN 54 HD2 GLN 54 81.896 1.299 -22.371
No H/Q in entry = 8
Start of MODEL 5
1 H ILE 55 H ILE 55 80.359 2.524 -18.581
2 HB ILE 55 HG12 ILE 55 78.949 2.914 -16.545
3 HG12 ILE 55 HG13 ILE 55 78.593 5.803 -17.401
4 HG13 ILE 55 HG21 ILE 55 78.592 4.458 -18.542
5 HG21 ILE 55 HG22 ILE 55 79.521 5.568 -15.182
6 HG22 ILE 55 HG23 ILE 55 78.151 4.515 -14.832
7 HD11 ILE 55 HD12 ILE 55 76.783 3.423 -16.997
8 HD12 ILE 55 HD13 ILE 55 76.623 5.051 -16.339
9 HG23 ILE 55 HXT ILE 55 79.793 3.973 -14.481
10 HD13 ILE 55 HXT ILE 55 76.307 4.756 -18.049
11 HA ILE 55 HB1 ILE 55 81.084 5.022 -17.078
No H/Q in entry = 11
Start of MODEL 5
1 H ALA 56 H ALA 56 82.500 4.780 -15.373
2 HA ALA 56 HB1 ALA 56 83.580 2.061 -14.831
3 HB1 ALA 56 HB2 ALA 56 84.464 4.913 -14.435
4 HB2 ALA 56 HB3 ALA 56 85.275 3.607 -13.572
5 HB3 ALA 56 HXT ALA 56 85.264 3.625 -15.336
No H/Q in entry = 5
Start of MODEL 5
1 HB2 PRO 57 HG2 PRO 57 81.519 -0.227 -10.239
2 HB3 PRO 57 HG3 PRO 57 80.236 0.192 -11.389
3 HG2 PRO 57 HD2 PRO 57 82.938 -0.926 -11.897
4 HG3 PRO 57 HD3 PRO 57 81.404 -1.256 -12.716
5 HD2 PRO 57 HD3 PRO 57 83.337 0.335 -13.766
6 HD3 PRO 57 HXT PRO 57 81.607 0.552 -14.108
7 HA PRO 57 HB1 PRO 57 80.982 2.349 -11.092
No H/Q in entry = 7
Start of MODEL 5
1 H GLN 58 H GLN 58 81.589 2.696 -8.912
2 HB2 GLN 58 HG2 GLN 58 82.045 3.939 -7.029
3 HB3 GLN 58 HG3 GLN 58 83.690 4.230 -6.460
4 HE21 GLN 58 HE22 GLN 58 84.659 7.048 -7.239
5 HE22 GLN 58 HXT GLN 58 83.451 8.130 -6.740
6 HA GLN 58 HB1 GLN 58 84.516 2.855 -8.416
7 HG3 GLN 58 HD3 GLN 58 82.592 5.000 -9.181
8 HG2 GLN 58 HD2 GLN 58 84.253 5.258 -8.643
No H/Q in entry = 8
Start of MODEL 5
1 H SER 59 H SER 59 85.489 1.269 -7.239
2 HG SER 59 HXT SER 59 87.995 0.068 -5.833
3 HA SER 59 HB1 SER 59 84.063 -0.894 -5.968
4 HB3 SER 59 HG3 SER 59 86.383 -0.938 -6.927
5 HB2 SER 59 HG2 SER 59 86.305 -1.572 -5.286
No H/Q in entry = 5
Start of MODEL 5
1 H GLN 60 H GLN 60 85.302 2.197 -4.802
2 HB2 GLN 60 HG2 GLN 60 84.790 4.190 -3.623
3 HB3 GLN 60 HG3 GLN 60 85.097 4.196 -1.886
4 HE21 GLN 60 HE22 GLN 60 87.417 5.173 -5.068
5 HE22 GLN 60 HXT GLN 60 87.942 6.562 -4.245
6 HA GLN 60 HB1 GLN 60 85.321 1.688 -1.989
7 HG3 GLN 60 HD3 GLN 60 86.980 3.174 -4.033
8 HG2 GLN 60 HD2 GLN 60 87.279 3.068 -2.298
No H/Q in entry = 8
Start of MODEL 5
1 H ILE 61 H ILE 61 83.701 1.934 -0.405
2 HB ILE 61 HG12 ILE 61 82.126 1.337 1.355
3 HG12 ILE 61 HG13 ILE 61 83.035 -0.261 -0.274
4 HG13 ILE 61 HG21 ILE 61 81.915 -1.082 0.809
5 HG21 ILE 61 HG22 ILE 61 79.396 0.715 0.201
6 HG22 ILE 61 HG23 ILE 61 79.994 0.026 1.710
7 HD11 ILE 61 HD12 ILE 61 80.125 -0.837 -0.920
8 HD12 ILE 61 HD13 ILE 61 81.315 -0.126 -2.010
9 HG23 ILE 61 HXT ILE 61 79.768 1.769 1.566
10 HD13 ILE 61 HXT ILE 61 81.488 -1.802 -1.487
11 HA ILE 61 HB1 ILE 61 80.896 1.790 -1.389
No H/Q in entry = 11
Start of MODEL 5
1 H TYR 62 H TYR 62 79.245 3.147 -0.371
2 HD1 TYR 62 HD2 TYR 62 79.571 7.535 -1.616
3 HD2 TYR 62 HE1 TYR 62 77.603 3.760 -2.375
4 HE1 TYR 62 HE2 TYR 62 80.060 7.770 -4.053
5 HE2 TYR 62 HH TYR 62 78.093 3.995 -4.811
6 HH TYR 62 HXT TYR 62 79.855 5.243 -6.227
7 HA TYR 62 HB1 TYR 62 80.259 5.849 0.340
8 HB3 TYR 62 HG3 TYR 62 77.859 6.427 0.011
9 HB2 TYR 62 HG2 TYR 62 77.505 4.726 -0.231
No H/Q in entry = 9
Start of MODEL 5
1 H ASP 63 H ASP 63 80.620 6.178 2.496
2 HA ASP 63 HB1 ASP 63 79.775 4.701 4.719
3 HB3 ASP 63 HG3 ASP 63 80.185 6.870 5.942
4 HB2 ASP 63 HG2 ASP 63 80.303 7.662 4.371
No H/Q in entry = 4
Start of MODEL 5
1 H TYR 64 H TYR 64 78.070 7.442 3.176
2 HD1 TYR 64 HD2 TYR 64 74.225 9.897 4.114
3 HD2 TYR 64 HE1 TYR 64 75.559 8.212 7.868
4 HE1 TYR 64 HE2 TYR 64 72.113 10.646 5.200
5 HE2 TYR 64 HH TYR 64 73.445 8.966 8.949
6 HH TYR 64 HXT TYR 64 71.609 11.156 8.095
7 HA TYR 64 HB1 TYR 64 75.541 6.690 4.534
8 HB3 TYR 64 HG3 TYR 64 76.822 9.416 4.831
9 HB2 TYR 64 HG2 TYR 64 76.977 8.151 6.033
No H/Q in entry = 9
Start of MODEL 5
1 H ILE 65 H ILE 65 73.945 6.945 3.024
2 HB ILE 65 HG12 ILE 65 73.064 6.474 0.633
3 HG12 ILE 65 HG13 ILE 65 75.467 7.934 -0.530
4 HG13 ILE 65 HG21 ILE 65 75.550 6.653 0.678
5 HG21 ILE 65 HG22 ILE 65 73.223 8.914 -1.173
6 HG22 ILE 65 HG23 ILE 65 72.812 7.290 -1.726
7 HD11 ILE 65 HD12 ILE 65 74.105 5.334 -1.135
8 HD12 ILE 65 HD13 ILE 65 74.883 6.474 -2.233
9 HG23 ILE 65 HXT ILE 65 71.750 8.132 -0.597
10 HD13 ILE 65 HXT ILE 65 75.864 5.397 -1.242
11 HA ILE 65 HB1 ILE 65 74.152 9.272 1.131
No H/Q in entry = 11
Start of MODEL 5
1 H LEU 66 H LEU 66 72.463 10.662 1.344
2 HD11 LEU 66 HD12 LEU 66 69.918 11.817 4.893
3 HD12 LEU 66 HD13 LEU 66 68.290 12.497 4.895
4 HD13 LEU 66 HD21 LEU 66 68.567 10.874 4.264
5 HD21 LEU 66 HD22 LEU 66 69.675 14.379 2.134
6 HD22 LEU 66 HD23 LEU 66 68.262 14.355 3.188
7 HG LEU 66 HXT LEU 66 68.427 12.144 2.300
8 HD23 LEU 66 HXT LEU 66 69.881 14.275 3.882
9 HA LEU 66 HB1 LEU 66 70.063 9.899 2.902
10 HB3 LEU 66 HG3 LEU 66 70.828 12.501 1.536
11 HB2 LEU 66 HG2 LEU 66 71.328 12.061 3.169
No H/Q in entry = 11
Start of MODEL 5
1 H PHE 67 H PHE 67 68.036 9.584 1.970
2 HD1 PHE 67 HD2 PHE 67 68.207 8.877 -2.683
3 HD2 PHE 67 HE1 PHE 67 69.096 5.808 0.228
4 HE1 PHE 67 HE2 PHE 67 69.965 7.959 -4.182
5 HE2 PHE 67 HZ PHE 67 70.873 4.901 -1.270
6 HZ PHE 67 HXT PHE 67 71.308 5.978 -3.480
7 HA PHE 67 HB1 PHE 67 67.790 9.916 -0.996
8 HB3 PHE 67 HG3 PHE 67 66.484 7.611 -0.603
9 HB2 PHE 67 HG2 PHE 67 67.579 7.511 0.762
No H/Q in entry = 9
Start of MODEL 5
1 H ARG 68 H ARG 68 65.911 10.970 -1.499
2 HB2 ARG 68 HG2 ARG 68 64.219 12.341 -2.271
3 HB3 ARG 68 HG3 ARG 68 62.818 12.735 -1.276
4 HG2 ARG 68 HD2 ARG 68 64.365 13.518 0.521
5 HG3 ARG 68 HD3 ARG 68 65.725 13.222 -0.561
6 HD2 ARG 68 HD3 ARG 68 63.411 15.079 -1.223
7 HE ARG 68 HH12 ARG 68 64.473 14.661 -3.299
8 HH11 ARG 68 HH21 ARG 68 66.873 14.932 -0.767
9 HH12 ARG 68 HH22 ARG 68 68.196 14.883 -1.878
10 HD3 ARG 68 HXT ARG 68 64.977 15.621 -0.590
11 HH21 ARG 68 HXT ARG 68 66.217 14.597 -4.699
12 HH22 ARG 68 H1 ARG 68 67.831 14.695 -4.080
13 HA ARG 68 HB1 ARG 68 63.732 11.195 0.497
No H/Q in entry = 13
Start of MODEL 5
1 H GLY 69 H GLY 69 61.623 10.350 0.138
2 HA2 GLY 69 HA3 GLY 69 59.999 8.879 -0.701
3 HA3 GLY 69 HXT GLY 69 61.343 7.901 -1.284
No H/Q in entry = 3
Start of MODEL 5
1 H SER 70 H SER 70 61.104 11.193 -2.412
2 HG SER 70 HXT SER 70 61.944 13.836 -4.445
3 HA SER 70 HB1 SER 70 59.300 10.781 -4.622
4 HB3 SER 70 HG3 SER 70 59.924 12.951 -3.529
5 HB2 SER 70 HG2 SER 70 60.081 12.993 -5.283
No H/Q in entry = 5
Start of MODEL 5
1 H ASP 71 H ASP 71 62.873 10.666 -4.382
2 HA ASP 71 HB1 ASP 71 63.156 10.305 -7.286
3 HB3 ASP 71 HG3 ASP 71 64.771 11.612 -5.969
4 HB2 ASP 71 HG2 ASP 71 65.569 10.239 -6.729
No H/Q in entry = 4
Start of MODEL 5
1 H ILE 72 H ILE 72 63.282 8.239 -4.397
2 HB ILE 72 HG12 ILE 72 63.959 6.503 -3.187
3 HG12 ILE 72 HG13 ILE 72 66.023 5.081 -4.844
4 HG13 ILE 72 HG21 ILE 72 65.807 6.816 -5.052
5 HG21 ILE 72 HG22 ILE 72 64.141 3.735 -4.433
6 HG22 ILE 72 HG23 ILE 72 64.537 4.128 -2.760
7 HD11 ILE 72 HD12 ILE 72 66.153 5.596 -2.320
8 HD12 ILE 72 HD13 ILE 72 67.541 6.047 -3.315
9 HG23 ILE 72 HXT ILE 72 62.876 4.284 -3.333
10 HD13 ILE 72 HXT ILE 72 66.378 7.274 -2.808
11 HA ILE 72 HB1 ILE 72 63.841 5.880 -6.133
No H/Q in entry = 11
Start of MODEL 5
1 H LYS 73 H LYS 73 62.372 4.144 -6.291
2 HB2 LYS 73 HG2 LYS 73 60.609 4.777 -8.215
3 HB3 LYS 73 HG3 LYS 73 60.720 3.054 -7.856
4 HG2 LYS 73 HG3 LYS 73 58.682 3.306 -9.061
5 HG3 LYS 73 HD2 LYS 73 58.201 3.151 -7.372
6 HD2 LYS 73 HD3 LYS 73 58.007 5.585 -7.175
7 HE2 LYS 73 HE3 LYS 73 56.197 5.899 -9.024
8 HE3 LYS 73 HZ1 LYS 73 56.549 4.209 -9.435
9 HZ1 LYS 73 HZ2 LYS 73 55.889 5.216 -6.715
10 HZ2 LYS 73 HZ3 LYS 73 54.821 4.369 -7.728
11 HD3 LYS 73 HXT LYS 73 58.559 5.781 -8.838
12 HZ3 LYS 73 HXT LYS 73 56.208 3.599 -7.129
13 HA LYS 73 HB1 LYS 73 59.562 5.096 -5.940
No H/Q in entry = 13
Start of MODEL 5
1 H ASP 74 H ASP 74 61.737 2.421 -5.131
2 HA ASP 74 HB1 ASP 74 59.495 1.134 -3.658
3 HB3 ASP 74 HG3 ASP 74 61.125 -0.354 -5.737
4 HB2 ASP 74 HG2 ASP 74 59.526 0.319 -6.055
No H/Q in entry = 4
Start of MODEL 5
1 H ILE 75 H ILE 75 60.187 0.204 -1.800
2 HB ILE 75 HG12 ILE 75 62.555 1.661 -0.487
3 HG12 ILE 75 HG13 ILE 75 62.900 -0.412 1.690
4 HG13 ILE 75 HG21 ILE 75 64.182 -0.024 0.541
5 HG21 ILE 75 HG22 ILE 75 60.155 1.234 -0.032
6 HG22 ILE 75 HG23 ILE 75 60.609 0.081 1.223
7 HD11 ILE 75 HD12 ILE 75 63.743 2.447 1.234
8 HD12 ILE 75 HD13 ILE 75 62.930 1.747 2.634
9 HG23 ILE 75 HXT ILE 75 61.004 1.790 1.410
10 HD13 ILE 75 HXT ILE 75 64.638 1.413 2.349
11 HA ILE 75 HB1 ILE 75 63.079 -0.535 -1.530
No H/Q in entry = 11
Start of MODEL 5
1 H ARG 76 H ARG 76 63.401 -2.523 -0.522
2 HB2 ARG 76 HG2 ARG 76 62.538 -4.703 -1.642
3 HB3 ARG 76 HG3 ARG 76 61.807 -5.907 -0.583
4 HG2 ARG 76 HD2 ARG 76 60.261 -3.508 -1.578
5 HG3 ARG 76 HD3 ARG 76 60.339 -5.013 -2.489
6 HD2 ARG 76 HD3 ARG 76 59.430 -4.850 0.406
7 HE ARG 76 HH12 ARG 76 60.005 -7.035 -1.456
8 HH11 ARG 76 HH21 ARG 76 58.042 -6.053 1.273
9 HH12 ARG 76 HH22 ARG 76 57.795 -7.680 1.803
10 HD3 ARG 76 HXT ARG 76 58.327 -4.891 -0.981
11 HH21 ARG 76 HXT ARG 76 59.656 -9.118 -0.731
12 HH22 ARG 76 H1 ARG 76 58.696 -9.397 0.684
13 HA ARG 76 HB1 ARG 76 61.119 -3.841 0.877
No H/Q in entry = 13
Start of MODEL 5
1 H VAL 77 H VAL 77 61.808 -5.266 2.494
2 HB VAL 77 HG12 VAL 77 63.835 -6.330 5.273
3 HG11 VAL 77 HG12 VAL 77 63.578 -3.778 4.740
4 HG12 VAL 77 HG13 VAL 77 61.857 -4.152 4.665
5 HG13 VAL 77 HG21 VAL 77 62.761 -4.453 6.150
6 HG21 VAL 77 HG22 VAL 77 61.981 -7.560 3.902
7 HG22 VAL 77 HG23 VAL 77 61.605 -7.041 5.544
8 HG23 VAL 77 HXT VAL 77 61.036 -6.097 4.169
9 HA VAL 77 HB1 VAL 77 64.663 -5.171 3.227
No H/Q in entry = 9
Start of MODEL 5
1 H VAL 78 H VAL 78 66.044 -7.007 3.349
2 HB VAL 78 HG12 VAL 78 67.919 -8.439 2.777
3 HG11 VAL 78 HG12 VAL 78 67.167 -10.439 0.625
4 HG12 VAL 78 HG13 VAL 78 68.815 -9.875 0.899
5 HG13 VAL 78 HG21 VAL 78 67.970 -10.775 2.159
6 HG21 VAL 78 HG22 VAL 78 66.713 -7.937 0.035
7 HG22 VAL 78 HG23 VAL 78 67.057 -6.717 1.260
8 HG23 VAL 78 HXT VAL 78 68.382 -7.580 0.478
9 HA VAL 78 HB1 VAL 78 65.251 -9.261 1.569
No H/Q in entry = 9
Start of MODEL 5
1 H ASN 79 H ASN 79 64.851 -11.285 2.399
2 HD21 ASN 79 HD22 ASN 79 61.289 -11.699 3.765
3 HD22 ASN 79 HXT ASN 79 61.131 -10.361 4.798
4 HA ASN 79 HB1 ASN 79 65.460 -11.777 5.298
5 HB3 ASN 79 HG3 ASN 79 63.524 -13.386 5.075
6 HB2 ASN 79 HG2 ASN 79 63.301 -12.800 3.426
No H/Q in entry = 6
Start of MODEL 5
1 H ASN 80 H ASN 80 67.064 -13.261 5.609
2 HD21 ASN 80 HD22 ASN 80 68.344 -15.206 1.813
3 HD22 ASN 80 HXT ASN 80 68.582 -13.824 0.856
4 HA ASN 80 HB1 ASN 80 67.396 -15.472 3.607
5 HB3 ASN 80 HG3 ASN 80 69.886 -15.135 4.066
6 HB2 ASN 80 HG2 ASN 80 69.441 -13.638 4.886
No H/Q in entry = 6
Start of MODEL 5
1 H HIS 81 H HIS 81 68.234 -14.334 6.898
2 HD1 HIS 81 HD2 HIS 81 69.947 -18.730 8.848
3 HD2 HIS 81 HE1 HIS 81 70.456 -15.480 11.409
4 HE1 HIS 81 HE2 HIS 81 70.613 -19.688 11.097
5 HA HIS 81 HB1 HIS 81 68.083 -17.184 7.838
6 HB3 HIS 81 HG3 HIS 81 69.841 -14.910 8.794
7 HB2 HIS 81 HG2 HIS 81 70.364 -16.191 7.717
No H/Q in entry = 7
Start of MODEL 5
1 H THR 82 H THR 82 66.872 -17.522 9.708
2 HG1 THR 82 HG21 THR 82 63.596 -17.320 8.838
3 HG21 THR 82 HG22 THR 82 63.358 -15.306 11.580
4 HG22 THR 82 HG23 THR 82 62.320 -16.608 11.000
5 HG23 THR 82 HXT THR 82 63.340 -16.858 12.417
6 HA THR 82 HB1 THR 82 65.572 -15.114 10.948
7 HB THR 82 HG12 THR 82 64.508 -17.942 10.673
No H/Q in entry = 7
Start of MODEL 5
1 H LEU 83 H LEU 83 65.568 -15.024 13.205
2 HD11 LEU 83 HD12 LEU 83 69.683 -15.261 15.607
3 HD12 LEU 83 HD13 LEU 83 69.752 -15.999 17.207
4 HD13 LEU 83 HD21 LEU 83 69.092 -16.905 15.845
5 HD21 LEU 83 HD22 LEU 83 68.280 -13.304 16.859
6 HD22 LEU 83 HD23 LEU 83 66.949 -13.862 17.872
7 HG LEU 83 HXT LEU 83 67.218 -16.127 17.138
8 HD23 LEU 83 HXT LEU 83 68.608 -14.307 18.274
9 HA LEU 83 HB1 LEU 83 67.222 -17.064 14.622
10 HB3 LEU 83 HG3 LEU 83 66.284 -14.319 15.501
11 HB2 LEU 83 HG2 LEU 83 67.777 -14.599 14.603
No H/Q in entry = 11
Start of MODEL 5
1 HB2 PRO 84 HG2 PRO 84 64.701 -20.464 17.579
2 HB3 PRO 84 HG3 PRO 84 63.404 -20.651 16.383
3 HG2 PRO 84 HD2 PRO 84 65.986 -21.204 15.843
4 HG3 PRO 84 HD3 PRO 84 64.843 -20.630 14.620
5 HD2 PRO 84 HD3 PRO 84 67.010 -19.149 16.023
6 HD3 PRO 84 HXT PRO 84 66.419 -18.989 14.354
7 HA PRO 84 HB1 PRO 84 63.142 -18.388 16.175
No H/Q in entry = 7
Start of MODEL 6
1 H1 GLY -3 H1 GLY -3 60.436 -9.531 23.849
2 H2 GLY -3 H2 GLY -3 61.624 -8.771 24.796
3 H3 GLY -3 H3 GLY -3 60.935 -10.237 25.308
4 HA2 GLY -3 HA3 GLY -3 59.697 -7.553 25.228
5 HA3 GLY -3 HXT GLY -3 59.882 -8.632 26.612
No H/Q in entry = 5
Start of MODEL 6
1 H ALA -2 H ALA -2 58.108 -9.811 27.127
2 HA ALA -2 HB1 ALA -2 56.394 -11.118 25.205
3 HB1 ALA -2 HB2 ALA -2 56.533 -12.086 27.347
4 HB2 ALA -2 HB3 ALA -2 56.338 -10.534 28.162
5 HB3 ALA -2 HXT ALA -2 54.954 -11.302 27.386
No H/Q in entry = 5
Start of MODEL 6
1 H MET -1 H MET -1 56.214 -8.024 26.916
2 HB2 MET -1 HG2 MET -1 55.897 -5.701 26.888
3 HB3 MET -1 HG3 MET -1 54.246 -5.080 26.886
4 HE1 MET -1 HE2 MET -1 52.698 -4.797 28.958
5 HE2 MET -1 HE3 MET -1 53.140 -3.589 30.174
6 HE3 MET -1 HXT MET -1 53.643 -3.382 28.497
7 HA MET -1 HB1 MET -1 53.450 -7.423 26.379
8 HG3 MET -1 HD3 MET -1 55.383 -7.198 28.731
9 HG2 MET -1 HD2 MET -1 53.675 -6.765 28.658
No H/Q in entry = 9
Start of MODEL 6
1 H ALA 0 H ALA 0 56.438 -6.829 24.549
2 HA ALA 0 HB1 ALA 0 54.840 -5.550 22.361
3 HB1 ALA 0 HB2 ALA 0 57.683 -5.442 23.336
4 HB2 ALA 0 HB3 ALA 0 56.574 -4.112 23.003
5 HB3 ALA 0 HXT ALA 0 57.321 -4.992 21.669
No H/Q in entry = 5
Start of MODEL 6
1 H MET 1 H MET 1 55.260 -6.260 20.159
2 HB2 MET 1 HG2 MET 1 54.946 -6.986 18.003
3 HB3 MET 1 HG3 MET 1 55.116 -8.685 17.559
4 HE1 MET 1 HE2 MET 1 52.701 -5.945 17.985
5 HE2 MET 1 HE3 MET 1 53.367 -6.460 16.439
6 HE3 MET 1 HXT MET 1 51.632 -6.199 16.599
7 HA MET 1 HB1 MET 1 55.835 -9.149 19.939
8 HG3 MET 1 HD3 MET 1 53.258 -7.534 19.660
9 HG2 MET 1 HD2 MET 1 53.515 -9.262 19.408
No H/Q in entry = 9
Start of MODEL 6
1 H SER 2 H SER 2 57.886 -9.851 19.546
2 HG SER 2 HXT SER 2 59.483 -10.999 20.669
3 HA SER 2 HB1 SER 2 60.101 -8.106 18.956
4 HB3 SER 2 HG3 SER 2 61.336 -10.217 18.802
5 HB2 SER 2 HG2 SER 2 59.831 -11.110 18.612
No H/Q in entry = 5
Start of MODEL 6
1 H GLY 3 H GLY 3 58.031 -10.149 16.924
2 HA2 GLY 3 HA3 GLY 3 58.431 -10.679 14.581
3 HA3 GLY 3 HXT GLY 3 59.595 -9.354 14.513
No H/Q in entry = 3
Start of MODEL 6
1 H GLY 4 H GLY 4 57.849 -7.453 15.900
2 HA2 GLY 4 HA3 GLY 4 55.691 -6.356 15.518
3 HA3 GLY 4 HXT GLY 4 55.613 -7.147 13.943
No H/Q in entry = 3
Start of MODEL 6
1 H LEU 5 H LEU 5 57.907 -5.016 15.698
2 HD11 LEU 5 HD12 LEU 5 57.274 -3.498 17.250
3 HD12 LEU 5 HD13 LEU 5 56.118 -2.167 17.311
4 HD13 LEU 5 HD21 LEU 5 56.091 -3.298 15.957
5 HD21 LEU 5 HD22 LEU 5 59.047 -0.273 16.355
6 HD22 LEU 5 HD23 LEU 5 57.424 -0.080 17.019
7 HG LEU 5 HXT LEU 5 57.210 -1.446 15.048
8 HD23 LEU 5 HXT LEU 5 58.549 -1.220 17.758
9 HA LEU 5 HB1 LEU 5 57.792 -2.987 13.580
10 HB3 LEU 5 HG3 LEU 5 59.704 -2.080 15.135
11 HB2 LEU 5 HG2 LEU 5 59.211 -3.392 16.205
No H/Q in entry = 11
Start of MODEL 6
1 HB2 PRO 6 HG2 PRO 6 62.263 -2.180 10.252
2 HB3 PRO 6 HG3 PRO 6 60.799 -2.927 9.585
3 HG2 PRO 6 HD2 PRO 6 61.069 -0.657 11.480
4 HG3 PRO 6 HD3 PRO 6 59.898 -0.910 10.177
5 HD2 PRO 6 HD3 PRO 6 59.316 -1.285 12.809
6 HD3 PRO 6 HXT PRO 6 58.506 -2.160 11.492
7 HA PRO 6 HB1 PRO 6 61.187 -4.543 11.182
No H/Q in entry = 7
Start of MODEL 6
1 H GLU 7 H GLU 7 63.169 -5.234 11.899
2 HB2 GLU 7 HG2 GLU 7 65.396 -5.972 11.989
3 HB3 GLU 7 HG3 GLU 7 66.284 -5.752 13.497
4 HA GLU 7 HB1 GLU 7 64.433 -4.219 14.269
5 HG3 GLU 7 HD3 GLU 7 63.479 -6.872 13.220
6 HG2 GLU 7 HD2 GLU 7 64.296 -6.574 14.754
No H/Q in entry = 6
Start of MODEL 6
1 H LEU 8 H LEU 8 65.810 -2.502 14.504
2 HD11 LEU 8 HD12 LEU 8 66.799 0.074 16.838
3 HD12 LEU 8 HD13 LEU 8 66.693 1.699 16.161
4 HD13 LEU 8 HD21 LEU 8 65.237 0.886 16.734
5 HD21 LEU 8 HD22 LEU 8 66.459 1.806 13.575
6 HD22 LEU 8 HD23 LEU 8 65.094 0.835 13.022
7 HG LEU 8 HXT LEU 8 65.190 -0.589 14.901
8 HD23 LEU 8 HXT LEU 8 64.895 1.945 14.378
9 HA LEU 8 HB1 LEU 8 66.519 -0.716 12.373
10 HB3 LEU 8 HG3 LEU 8 67.998 0.260 14.147
11 HB2 LEU 8 HG2 LEU 8 67.659 -1.150 15.152
No H/Q in entry = 11
Start of MODEL 6
1 H GLY 9 H GLY 9 68.482 -0.481 11.225
2 HA2 GLY 9 HA3 GLY 9 70.841 -2.083 11.837
3 HA3 GLY 9 HXT GLY 9 70.650 -0.973 10.498
No H/Q in entry = 3
Start of MODEL 6
1 H SER 10 H SER 10 68.002 -2.962 10.280
2 HG SER 10 HXT SER 10 66.782 -4.573 10.829
3 HA SER 10 HB1 SER 10 69.008 -5.430 9.262
4 HB3 SER 10 HG3 SER 10 66.733 -5.465 8.130
5 HB2 SER 10 HG2 SER 10 66.501 -3.821 8.717
No H/Q in entry = 5
Start of MODEL 6
1 H LYS 11 H LYS 11 69.250 -6.124 7.036
2 HB2 LYS 11 HG2 LYS 11 70.964 -6.070 3.894
3 HB3 LYS 11 HG3 LYS 11 71.390 -6.339 5.581
4 HG2 LYS 11 HG3 LYS 11 68.757 -7.247 5.437
5 HG3 LYS 11 HD2 LYS 11 69.445 -7.754 3.898
6 HD2 LYS 11 HD3 LYS 11 70.051 -9.557 5.214
7 HE2 LYS 11 HE3 LYS 11 70.894 -7.984 7.618
8 HE3 LYS 11 HZ1 LYS 11 69.154 -8.147 7.310
9 HZ1 LYS 11 HZ2 LYS 11 71.106 -10.388 7.352
10 HZ2 LYS 11 HZ3 LYS 11 70.009 -10.028 8.594
11 HD3 LYS 11 HXT LYS 11 71.467 -8.530 5.440
12 HZ3 LYS 11 HXT LYS 11 69.436 -10.527 7.075
13 HA LYS 11 HB1 LYS 11 70.412 -4.090 5.265
No H/Q in entry = 13
Start of MODEL 6
1 H ILE 12 H ILE 12 69.221 -2.953 3.803
2 HB ILE 12 HG12 ILE 12 67.425 -1.244 3.364
3 HG12 ILE 12 HG13 ILE 12 65.378 -2.978 4.781
4 HG13 ILE 12 HG21 ILE 12 67.019 -2.733 5.376
5 HG21 ILE 12 HG22 ILE 12 65.826 -1.481 1.480
6 HG22 ILE 12 HG23 ILE 12 64.760 -2.432 2.516
7 HD11 ILE 12 HD12 ILE 12 66.537 -0.224 5.253
8 HD12 ILE 12 HD13 ILE 12 64.844 -0.662 5.022
9 HG23 ILE 12 HXT ILE 12 65.062 -0.733 2.882
10 HD13 ILE 12 HXT ILE 12 65.677 -1.116 6.509
11 HA ILE 12 HB1 ILE 12 66.633 -4.131 2.836
No H/Q in entry = 11
Start of MODEL 6
1 H SER 13 H SER 13 66.240 -4.033 0.633
2 HG SER 13 HXT SER 13 66.737 -4.147 -3.597
3 HA SER 13 HB1 SER 13 68.438 -3.060 -1.135
4 HB3 SER 13 HG3 SER 13 66.010 -4.808 -1.675
5 HB2 SER 13 HG2 SER 13 67.610 -5.420 -1.268
No H/Q in entry = 5
Start of MODEL 6
1 H LEU 14 H LEU 14 68.004 -1.431 -2.655
2 HD11 LEU 14 HD12 LEU 14 65.316 1.515 -0.002
3 HD12 LEU 14 HD13 LEU 14 64.507 2.944 -0.643
4 HD13 LEU 14 HD21 LEU 14 64.310 1.386 -1.444
5 HD21 LEU 14 HD22 LEU 14 67.651 3.046 -0.358
6 HD22 LEU 14 HD23 LEU 14 67.653 3.906 -1.898
7 HG LEU 14 HXT LEU 14 65.891 2.609 -2.765
8 HD23 LEU 14 HXT LEU 14 66.358 4.185 -0.734
9 HA LEU 14 HB1 LEU 14 65.345 -0.068 -2.428
10 HB3 LEU 14 HG3 LEU 14 68.026 1.326 -2.363
11 HB2 LEU 14 HG2 LEU 14 67.300 0.688 -0.890
No H/Q in entry = 11
Start of MODEL 6
1 H ILE 15 H ILE 15 64.567 0.399 -4.457
2 HB ILE 15 HG12 ILE 15 63.465 0.001 -6.597
3 HG12 ILE 15 HG13 ILE 15 65.603 -2.064 -7.196
4 HG13 ILE 15 HG21 ILE 15 64.956 -1.808 -5.576
5 HG21 ILE 15 HG22 ILE 15 64.342 0.923 -8.776
6 HG22 ILE 15 HG23 ILE 15 65.343 -0.521 -8.922
7 HD11 ILE 15 HD12 ILE 15 62.647 -2.182 -6.531
8 HD12 ILE 15 HD13 ILE 15 63.420 -2.659 -8.044
9 HG23 ILE 15 HXT ILE 15 63.586 -0.663 -8.923
10 HD13 ILE 15 HXT ILE 15 63.692 -3.601 -6.578
11 HA ILE 15 HB1 ILE 15 66.483 0.383 -6.759
No H/Q in entry = 11
Start of MODEL 6
1 H SER 16 H SER 16 66.994 2.393 -7.496
2 HG SER 16 HXT SER 16 68.150 5.494 -5.741
3 HA SER 16 HB1 SER 16 65.303 4.732 -6.825
4 HB3 SER 16 HG3 SER 16 67.306 5.957 -7.605
5 HB2 SER 16 HG2 SER 16 68.024 4.434 -8.124
No H/Q in entry = 5
Start of MODEL 6
1 H LYS 17 H LYS 17 64.808 6.338 -8.513
2 HB2 LYS 17 HG2 LYS 17 63.186 7.570 -9.479
3 HB3 LYS 17 HG3 LYS 17 64.539 8.011 -10.521
4 HG2 LYS 17 HG3 LYS 17 63.154 7.471 -12.513
5 HG3 LYS 17 HD2 LYS 17 61.795 7.108 -11.446
6 HD2 LYS 17 HD3 LYS 17 61.967 9.439 -10.532
7 HE2 LYS 17 HE3 LYS 17 61.395 8.893 -13.447
8 HE3 LYS 17 HZ1 LYS 17 60.255 9.253 -12.134
9 HZ1 LYS 17 HZ2 LYS 17 62.289 11.133 -13.217
10 HZ2 LYS 17 HZ3 LYS 17 60.621 11.202 -13.536
11 HD3 LYS 17 HXT LYS 17 63.195 9.779 -11.752
12 HZ3 LYS 17 HXT LYS 17 61.194 11.468 -11.962
13 HA LYS 17 HB1 LYS 17 63.202 5.298 -10.568
No H/Q in entry = 13
Start of MODEL 6
1 H ALA 18 H ALA 18 66.653 5.642 -10.671
2 HA ALA 18 HB1 ALA 18 66.785 5.866 -13.614
3 HB1 ALA 18 HB2 ALA 18 69.299 5.659 -12.966
4 HB2 ALA 18 HB3 ALA 18 68.433 7.097 -12.428
5 HB3 ALA 18 HXT ALA 18 68.729 5.773 -11.298
No H/Q in entry = 5
Start of MODEL 6
1 H ASP 19 H ASP 19 65.676 3.402 -12.084
2 HA ASP 19 HB1 ASP 19 65.841 1.059 -12.105
3 HB3 ASP 19 HG3 ASP 19 66.841 0.187 -14.274
4 HB2 ASP 19 HG2 ASP 19 67.251 1.853 -14.674
No H/Q in entry = 4
Start of MODEL 6
1 H ILE 20 H ILE 20 67.876 2.594 -10.671
2 HB ILE 20 HG12 ILE 20 69.805 3.377 -9.317
3 HG12 ILE 20 HG13 ILE 20 71.227 3.116 -11.988
4 HG13 ILE 20 HG21 ILE 20 69.601 3.757 -11.785
5 HG21 ILE 20 HG22 ILE 20 72.326 1.862 -10.067
6 HG22 ILE 20 HG23 ILE 20 72.331 3.466 -9.334
7 HD11 ILE 20 HD12 ILE 20 70.625 5.431 -10.132
8 HD12 ILE 20 HD13 ILE 20 72.192 4.926 -10.764
9 HG23 ILE 20 HXT ILE 20 71.668 2.093 -8.447
10 HD13 ILE 20 HXT ILE 20 71.008 5.674 -11.836
11 HA ILE 20 HB1 ILE 20 70.316 0.884 -10.983
No H/Q in entry = 11
Start of MODEL 6
1 H ARG 21 H ARG 21 70.923 -0.510 -9.297
2 HB2 ARG 21 HG2 ARG 21 69.465 -2.701 -8.704
3 HB3 ARG 21 HG3 ARG 21 71.113 -2.703 -8.073
4 HG2 ARG 21 HD2 ARG 21 70.212 -3.132 -5.794
5 HG3 ARG 21 HD3 ARG 21 68.586 -3.209 -6.473
6 HD2 ARG 21 HD3 ARG 21 69.336 -5.088 -7.955
7 HE ARG 21 HH12 ARG 21 68.660 -5.188 -5.267
8 HH11 ARG 21 HH21 ARG 21 70.788 -7.081 -7.302
9 HH12 ARG 21 HH22 ARG 21 70.580 -8.512 -6.355
10 HD3 ARG 21 HXT ARG 21 70.905 -5.061 -7.127
11 HH21 ARG 21 HXT ARG 21 68.422 -7.063 -4.076
12 HH22 ARG 21 H1 ARG 21 69.256 -8.505 -4.551
13 HA ARG 21 HB1 ARG 21 68.935 -0.830 -7.083
No H/Q in entry = 13
Start of MODEL 6
1 H TYR 22 H TYR 22 69.568 0.095 -5.204
2 HD1 TYR 22 HD2 TYR 22 73.592 2.878 -4.179
3 HD2 TYR 22 HE1 TYR 22 69.592 2.618 -5.805
4 HE1 TYR 22 HE2 TYR 22 74.204 4.526 -5.949
5 HE2 TYR 22 HH TYR 22 70.207 4.269 -7.583
6 HH TYR 22 HXT TYR 22 72.971 6.185 -7.434
7 HA TYR 22 HB1 TYR 22 72.466 0.040 -4.435
8 HB3 TYR 22 HG3 TYR 22 71.749 1.884 -2.897
9 HB2 TYR 22 HG2 TYR 22 70.134 1.768 -3.563
No H/Q in entry = 9
Start of MODEL 6
1 H GLU 23 H GLU 23 72.954 -0.860 -2.372
2 HB2 GLU 23 HG2 GLU 23 71.585 -3.600 -2.220
3 HB3 GLU 23 HG3 GLU 23 73.135 -3.414 -1.400
4 HA GLU 23 HB1 GLU 23 70.653 -1.811 -0.701
5 HG3 GLU 23 HD3 GLU 23 70.511 -4.255 -0.135
6 HG2 GLU 23 HD2 GLU 23 71.989 -3.926 0.770
No H/Q in entry = 6
Start of MODEL 6
1 H GLY 24 H GLY 24 71.065 -1.614 1.528
2 HA2 GLY 24 HA3 GLY 24 72.870 0.327 2.421
3 HA3 GLY 24 HXT GLY 24 73.733 -1.199 2.599
No H/Q in entry = 3
Start of MODEL 6
1 H ARG 25 H ARG 25 73.549 -0.300 4.936
2 HB2 ARG 25 HG2 ARG 25 73.855 -0.247 7.145
3 HB3 ARG 25 HG3 ARG 25 72.758 -0.986 8.313
4 HG2 ARG 25 HD2 ARG 25 73.078 -3.169 7.014
5 HG3 ARG 25 HD3 ARG 25 74.419 -2.366 6.198
6 HD2 ARG 25 HD3 ARG 25 74.265 -2.379 9.214
7 HE ARG 25 HH12 ARG 25 76.180 -1.570 7.151
8 HH11 ARG 25 HH21 ARG 25 75.833 -2.625 10.471
9 HH12 ARG 25 HH22 ARG 25 77.311 -1.879 10.965
10 HD3 ARG 25 HXT ARG 25 74.972 -3.749 8.335
11 HH21 ARG 25 HXT ARG 25 78.083 -0.624 7.837
12 HH22 ARG 25 H1 ARG 25 78.572 -0.758 9.493
13 HA ARG 25 HB1 ARG 25 71.410 -1.813 6.296
No H/Q in entry = 13
Start of MODEL 6
1 H LEU 26 H LEU 26 69.606 -0.894 7.231
2 HD11 LEU 26 HD12 LEU 26 65.928 1.412 6.327
3 HD12 LEU 26 HD13 LEU 26 65.342 2.807 7.231
4 HD13 LEU 26 HD21 LEU 26 67.002 2.773 6.640
5 HD21 LEU 26 HD22 LEU 26 65.269 -0.111 8.560
6 HD22 LEU 26 HD23 LEU 26 65.658 0.711 10.071
7 HG LEU 26 HXT LEU 26 67.059 2.273 9.003
8 HD23 LEU 26 HXT LEU 26 64.576 1.473 8.905
9 HA LEU 26 HB1 LEU 26 68.820 1.834 6.819
10 HB3 LEU 26 HG3 LEU 26 67.896 -0.125 8.936
11 HB2 LEU 26 HG2 LEU 26 67.384 -0.176 7.250
No H/Q in entry = 11
Start of MODEL 6
1 H TYR 27 H TYR 27 69.736 3.602 7.854
2 HD1 TYR 27 HD2 TYR 27 72.833 3.879 11.424
3 HD2 TYR 27 HE1 TYR 27 71.984 7.552 9.305
4 HE1 TYR 27 HE2 TYR 27 74.160 5.156 13.108
5 HE2 TYR 27 HH TYR 27 73.309 8.829 10.993
6 HH TYR 27 HXT TYR 27 75.448 7.890 12.754
7 HA TYR 27 HB1 TYR 27 70.951 3.260 10.555
8 HB3 TYR 27 HG3 TYR 27 71.003 5.558 8.585
9 HB2 TYR 27 HG2 TYR 27 72.190 4.268 8.634
No H/Q in entry = 9
Start of MODEL 6
1 H THR 28 H THR 28 68.714 5.474 8.826
2 HG1 THR 28 HG21 THR 28 68.662 8.948 9.398
3 HG21 THR 28 HG22 THR 28 68.605 6.841 12.724
4 HG22 THR 28 HG23 THR 28 70.030 6.971 11.693
5 HG23 THR 28 HXT THR 28 69.340 8.417 12.433
6 HA THR 28 HB1 THR 28 67.143 5.855 11.310
7 HB THR 28 HG12 THR 28 67.463 8.393 11.003
No H/Q in entry = 7
Start of MODEL 6
1 H VAL 29 H VAL 29 65.079 6.875 10.882
2 HB VAL 29 HG12 VAL 29 64.013 4.927 8.594
3 HG11 VAL 29 HG12 VAL 29 63.613 5.282 11.031
4 HG12 VAL 29 HG13 VAL 29 62.042 5.984 10.644
5 HG13 VAL 29 HG21 VAL 29 62.365 4.288 10.279
6 HG21 VAL 29 HG22 VAL 29 61.700 6.743 7.995
7 HG22 VAL 29 HG23 VAL 29 62.492 5.560 6.956
8 HG23 VAL 29 HXT VAL 29 61.394 5.021 8.224
9 HA VAL 29 HB1 VAL 29 64.376 7.323 8.021
No H/Q in entry = 9
Start of MODEL 6
1 H ASP 30 H ASP 30 62.670 8.815 7.751
2 HA ASP 30 HB1 ASP 30 61.390 9.884 10.245
3 HB3 ASP 30 HG3 ASP 30 62.138 11.503 7.804
4 HB2 ASP 30 HG2 ASP 30 63.281 11.237 9.121
No H/Q in entry = 4
Start of MODEL 6
1 HB2 PRO 31 HG2 PRO 31 56.072 8.618 9.371
2 HB3 PRO 31 HG3 PRO 31 57.092 7.179 9.193
3 HG2 PRO 31 HD2 PRO 31 57.282 9.401 11.149
4 HG3 PRO 31 HD3 PRO 31 57.618 7.675 11.359
5 HD2 PRO 31 HD3 PRO 31 59.572 9.528 11.110
6 HD3 PRO 31 HXT PRO 31 59.753 7.855 10.537
7 HA PRO 31 HB1 PRO 31 58.104 8.331 7.491
No H/Q in entry = 7
Start of MODEL 6
1 H GLN 32 H GLN 32 57.851 11.228 9.557
2 HB2 GLN 32 HG2 GLN 32 57.304 13.377 10.265
3 HB3 GLN 32 HG3 GLN 32 55.869 14.193 9.645
4 HE21 GLN 32 HE22 GLN 32 53.431 12.463 12.329
5 HE22 GLN 32 HXT GLN 32 54.068 13.405 13.590
6 HA GLN 32 HB1 GLN 32 55.561 12.273 8.033
7 HG3 GLN 32 HD3 GLN 32 55.909 11.410 10.849
8 HG2 GLN 32 HD2 GLN 32 54.480 12.261 10.261
No H/Q in entry = 8
Start of MODEL 6
1 H GLU 33 H GLU 33 59.049 12.694 8.042
2 HB2 GLU 33 HG2 GLU 33 61.150 13.207 7.259
3 HB3 GLU 33 HG3 GLU 33 61.433 14.588 6.200
4 HA GLU 33 HB1 GLU 33 58.940 14.969 6.166
5 HG3 GLU 33 HD3 GLU 33 61.653 15.075 8.684
6 HG2 GLU 33 HD2 GLU 33 59.915 14.798 8.811
No H/Q in entry = 6
Start of MODEL 6
1 H CYS 34 H CYS 34 58.288 11.710 5.758
2 HG CYS 34 HXT CYS 34 56.013 12.300 3.498
3 HA CYS 34 HB1 CYS 34 58.468 10.175 3.977
4 HB3 CYS 34 HG3 CYS 34 58.400 11.480 1.720
5 HB2 CYS 34 HG2 CYS 34 58.325 12.919 2.736
No H/Q in entry = 5
Start of MODEL 6
1 H THR 35 H THR 35 61.013 10.772 5.223
2 HG1 THR 35 HG21 THR 35 63.653 12.748 6.101
3 HG21 THR 35 HG22 THR 35 62.047 12.756 2.626
4 HG22 THR 35 HG23 THR 35 62.308 14.014 3.834
5 HG23 THR 35 HXT THR 35 63.599 13.589 2.712
6 HA THR 35 HB1 THR 35 62.860 10.594 2.867
7 HB THR 35 HG12 THR 35 64.367 12.132 4.244
No H/Q in entry = 7
Start of MODEL 6
1 H ILE 36 H ILE 36 64.804 9.411 3.311
2 HB ILE 36 HG12 ILE 36 65.329 5.949 4.912
3 HG12 ILE 36 HG13 ILE 36 64.270 7.294 2.409
4 HG13 ILE 36 HG21 ILE 36 65.984 6.963 2.658
5 HG21 ILE 36 HG22 ILE 36 63.073 7.050 5.699
6 HG22 ILE 36 HG23 ILE 36 62.700 7.058 3.976
7 HD11 ILE 36 HD12 ILE 36 63.955 4.767 3.002
8 HD12 ILE 36 HD13 ILE 36 64.539 5.194 1.393
9 HG23 ILE 36 HXT ILE 36 63.039 5.535 4.798
10 HD13 ILE 36 HXT ILE 36 65.673 4.638 2.624
11 HA ILE 36 HB1 ILE 36 65.071 8.177 6.013
No H/Q in entry = 11
Start of MODEL 6
1 H ALA 37 H ALA 37 67.245 7.227 6.331
2 HA ALA 37 HB1 ALA 37 69.289 8.035 4.301
3 HB1 ALA 37 HB2 ALA 37 68.877 9.521 6.474
4 HB2 ALA 37 HB3 ALA 37 70.515 9.208 5.895
5 HB3 ALA 37 HXT ALA 37 69.859 8.270 7.238
No H/Q in entry = 5
Start of MODEL 6
1 H LEU 38 H LEU 38 70.606 6.349 3.827
2 HD11 LEU 38 HD12 LEU 38 69.437 2.125 1.770
3 HD12 LEU 38 HD13 LEU 38 67.856 2.904 1.807
4 HD13 LEU 38 HD21 LEU 38 69.254 3.776 1.179
5 HD21 LEU 38 HD22 LEU 38 69.380 1.822 4.521
6 HD22 LEU 38 HD23 LEU 38 68.496 3.141 5.289
7 HG LEU 38 HXT LEU 38 68.745 4.560 3.442
8 HD23 LEU 38 HXT LEU 38 67.734 2.199 4.007
9 HA LEU 38 HB1 LEU 38 70.589 3.960 5.638
10 HB3 LEU 38 HG3 LEU 38 71.182 2.761 3.526
11 HB2 LEU 38 HG2 LEU 38 71.139 4.299 2.667
No H/Q in entry = 11
Start of MODEL 6
1 H SER 39 H SER 39 72.630 2.975 6.128
2 HG SER 39 HXT SER 39 75.024 2.255 8.482
3 HA SER 39 HB1 SER 39 75.015 4.721 5.567
4 HB3 SER 39 HG3 SER 39 74.111 4.765 7.902
5 HB2 SER 39 HG2 SER 39 75.741 4.101 7.833
No H/Q in entry = 5
Start of MODEL 6
1 H SER 40 H SER 40 77.053 3.534 5.358
2 HG SER 40 HXT SER 40 75.969 0.378 6.622
3 HA SER 40 HB1 SER 40 78.228 1.936 4.073
4 HB3 SER 40 HG3 SER 40 78.019 1.077 6.466
5 HB2 SER 40 HG2 SER 40 78.352 -0.151 5.252
No H/Q in entry = 5
Start of MODEL 6
1 H VAL 41 H VAL 41 77.154 2.245 2.059
2 HB VAL 41 HG12 VAL 41 74.036 2.185 1.843
3 HG11 VAL 41 HG12 VAL 41 75.977 3.684 1.270
4 HG12 VAL 41 HG13 VAL 41 75.608 3.410 -0.435
5 HG13 VAL 41 HG21 VAL 41 74.432 4.214 0.604
6 HG21 VAL 41 HG22 VAL 41 74.102 1.049 -0.914
7 HG22 VAL 41 HG23 VAL 41 72.769 1.143 0.236
8 HG23 VAL 41 HXT VAL 41 73.222 2.563 -0.701
9 HA VAL 41 HB1 VAL 41 75.236 0.076 1.318
No H/Q in entry = 9
Start of MODEL 6
1 H ARG 42 H ARG 42 75.505 -0.704 -0.786
2 HB2 ARG 42 HG2 ARG 42 76.787 -2.424 -2.062
3 HB3 ARG 42 HG3 ARG 42 78.141 -1.932 -3.078
4 HG2 ARG 42 HD2 ARG 42 79.227 -0.975 -0.999
5 HG3 ARG 42 HD3 ARG 42 77.949 -1.746 -0.061
6 HD2 ARG 42 HD3 ARG 42 78.599 -3.949 -1.101
7 HE ARG 42 HH12 ARG 42 80.151 -2.384 0.824
8 HH11 ARG 42 HH21 ARG 42 79.924 -5.466 -0.820
9 HH12 ARG 42 HH22 ARG 42 80.789 -6.302 0.421
10 HD3 ARG 42 HXT ARG 42 79.991 -3.129 -1.835
11 HH21 ARG 42 HXT ARG 42 81.265 -3.507 2.399
12 HH22 ARG 42 H1 ARG 42 81.541 -5.208 2.224
13 HA ARG 42 HB1 ARG 42 77.789 0.431 -2.370
No H/Q in entry = 13
Start of MODEL 6
1 H SER 43 H SER 43 77.488 0.433 -4.687
2 HG SER 43 HXT SER 43 77.513 2.629 -6.880
3 HA SER 43 HB1 SER 43 74.644 0.097 -5.590
4 HB3 SER 43 HG3 SER 43 75.742 2.361 -5.677
5 HB2 SER 43 HG2 SER 43 75.225 1.780 -7.258
No H/Q in entry = 5
Start of MODEL 6
1 H PHE 44 H PHE 44 74.241 -1.388 -7.226
2 HD1 PHE 44 HD2 PHE 44 75.725 -5.772 -7.092
3 HD2 PHE 44 HE1 PHE 44 72.430 -3.073 -6.355
4 HE1 PHE 44 HE2 PHE 44 75.337 -6.851 -4.875
5 HE2 PHE 44 HZ PHE 44 72.042 -4.152 -4.137
6 HZ PHE 44 HXT PHE 44 73.496 -6.041 -3.397
7 HA PHE 44 HB1 PHE 44 76.410 -3.286 -7.820
8 HB3 PHE 44 HG3 PHE 44 74.475 -4.468 -8.960
9 HB2 PHE 44 HG2 PHE 44 73.464 -3.121 -8.472
No H/Q in entry = 9
Start of MODEL 6
1 H GLY 45 H GLY 45 74.375 -1.008 -9.691
2 HA2 GLY 45 HA3 GLY 45 75.560 -1.712 -12.241
3 HA3 GLY 45 HXT GLY 45 76.312 -0.282 -11.541
No H/Q in entry = 3
Start of MODEL 6
1 H THR 46 H THR 46 75.337 0.613 -13.628
2 HG1 THR 46 HG21 THR 46 75.379 3.592 -14.885
3 HG21 THR 46 HG22 THR 46 73.423 2.858 -11.891
4 HG22 THR 46 HG23 THR 46 74.473 4.156 -12.458
5 HG23 THR 46 HXT THR 46 72.743 4.213 -12.788
6 HA THR 46 HB1 THR 46 72.445 1.341 -13.264
7 HB THR 46 HG12 THR 46 73.273 3.312 -14.791
No H/Q in entry = 7
Start of MODEL 6
1 H GLU 47 H GLU 47 74.139 -0.839 -14.941
2 HB2 GLU 47 HG2 GLU 47 74.341 -2.625 -17.989
3 HB3 GLU 47 HG3 GLU 47 75.297 -2.136 -16.594
4 HA GLU 47 HB1 GLU 47 74.268 -0.175 -17.642
5 HG3 GLU 47 HD3 GLU 47 72.494 -3.298 -16.529
6 HG2 GLU 47 HD2 GLU 47 73.371 -2.717 -15.113
No H/Q in entry = 6
Start of MODEL 6
1 H ASP 48 H ASP 48 71.364 -1.022 -15.855
2 HA ASP 48 HB1 ASP 48 69.784 -2.038 -18.035
3 HB3 ASP 48 HG3 ASP 48 67.894 -1.362 -16.466
4 HB2 ASP 48 HG2 ASP 48 69.124 -0.651 -15.422
No H/Q in entry = 4
Start of MODEL 6
1 H ARG 49 H ARG 49 69.566 1.203 -16.492
2 HB2 ARG 49 HG2 ARG 49 68.698 3.150 -16.119
3 HB3 ARG 49 HG3 ARG 49 68.343 4.371 -17.343
4 HG2 ARG 49 HD2 ARG 49 66.448 2.843 -18.123
5 HG3 ARG 49 HD3 ARG 49 66.709 1.925 -16.640
6 HD2 ARG 49 HD3 ARG 49 66.193 3.848 -15.266
7 HE ARG 49 HH12 ARG 49 64.330 2.660 -16.943
8 HH11 ARG 49 HH21 ARG 49 64.716 5.887 -15.644
9 HH12 ARG 49 HH22 ARG 49 63.016 6.204 -15.666
10 HD3 ARG 49 HXT ARG 49 66.166 4.913 -16.683
11 HH21 ARG 49 HXT ARG 49 62.143 3.115 -16.952
12 HH22 ARG 49 H1 ARG 49 61.575 4.654 -16.397
13 HA ARG 49 HB1 ARG 49 68.413 2.319 -18.991
No H/Q in entry = 13
Start of MODEL 6
1 H ASP 50 H ASP 50 71.478 1.649 -18.315
2 HA ASP 50 HB1 ASP 50 72.885 4.089 -17.935
3 HB3 ASP 50 HG3 ASP 50 73.783 1.799 -17.620
4 HB2 ASP 50 HG2 ASP 50 74.829 2.765 -18.652
No H/Q in entry = 4
Start of MODEL 6
1 H THR 51 H THR 51 74.491 4.964 -19.615
2 HG1 THR 51 HG21 THR 51 73.720 7.704 -20.620
3 HG21 THR 51 HG22 THR 51 74.139 7.519 -23.156
4 HG22 THR 51 HG23 THR 51 75.546 8.357 -22.500
5 HG23 THR 51 HXT THR 51 75.759 6.890 -23.455
6 HA THR 51 HB1 THR 51 73.118 5.776 -22.069
7 HB THR 51 HG12 THR 51 76.009 6.147 -21.232
No H/Q in entry = 7
Start of MODEL 6
1 H GLN 52 H GLN 52 74.205 5.463 -24.227
2 HB2 GLN 52 HG2 GLN 52 74.876 3.332 -27.025
3 HB3 GLN 52 HG3 GLN 52 73.439 3.942 -26.210
4 HE21 GLN 52 HE22 GLN 52 76.472 5.306 -28.720
5 HE22 GLN 52 HXT GLN 52 75.385 5.685 -29.969
6 HA GLN 52 HB1 GLN 52 74.800 2.633 -24.641
7 HG3 GLN 52 HD3 GLN 52 75.960 5.594 -26.482
8 HG2 GLN 52 HD2 GLN 52 74.338 6.150 -26.069
No H/Q in entry = 8
Start of MODEL 6
1 H PHE 53 H PHE 53 76.803 5.117 -23.600
2 HD1 PHE 53 HD2 PHE 53 77.909 5.822 -26.098
3 HD2 PHE 53 HE1 PHE 53 81.423 7.400 -24.132
4 HE1 PHE 53 HE2 PHE 53 78.512 7.068 -28.175
5 HE2 PHE 53 HZ PHE 53 82.026 8.643 -26.210
6 HZ PHE 53 HXT PHE 53 80.571 8.478 -28.231
7 HA PHE 53 HB1 PHE 53 79.233 3.948 -24.850
8 HB3 PHE 53 HG3 PHE 53 80.132 5.742 -23.065
9 HB2 PHE 53 HG2 PHE 53 78.484 6.322 -23.200
No H/Q in entry = 9
Start of MODEL 6
1 H GLN 54 H GLN 54 81.016 3.320 -23.253
2 HB2 GLN 54 HG2 GLN 54 81.885 1.032 -22.985
3 HB3 GLN 54 HG3 GLN 54 82.790 2.130 -21.943
4 HE21 GLN 54 HE22 GLN 54 83.009 -2.134 -21.837
5 HE22 GLN 54 HXT GLN 54 84.685 -1.940 -22.018
6 HA GLN 54 HB1 GLN 54 79.916 1.306 -21.422
7 HG3 GLN 54 HD3 GLN 54 81.588 -0.537 -21.146
8 HG2 GLN 54 HD2 GLN 54 82.344 0.589 -20.019
No H/Q in entry = 8
Start of MODEL 6
1 H ILE 55 H ILE 55 79.736 1.513 -19.221
2 HB ILE 55 HG12 ILE 55 78.552 2.264 -17.143
3 HG12 ILE 55 HG13 ILE 55 78.700 5.109 -18.187
4 HG13 ILE 55 HG21 ILE 55 78.385 3.723 -19.230
5 HG21 ILE 55 HG22 ILE 55 79.838 4.740 -15.958
6 HG22 ILE 55 HG23 ILE 55 78.180 4.254 -15.603
7 HD11 ILE 55 HD12 ILE 55 76.519 3.166 -17.472
8 HD12 ILE 55 HD13 ILE 55 76.671 4.870 -17.044
9 HG23 ILE 55 HXT ILE 55 79.524 3.203 -15.154
10 HD13 ILE 55 HXT ILE 55 76.220 4.411 -18.685
11 HA ILE 55 HB1 ILE 55 81.019 3.886 -17.902
No H/Q in entry = 11
Start of MODEL 6
1 H ALA 56 H ALA 56 82.434 3.467 -16.227
2 HA ALA 56 HB1 ALA 56 83.149 0.654 -15.674
3 HB1 ALA 56 HB2 ALA 56 84.652 2.780 -16.081
4 HB2 ALA 56 HB3 ALA 56 85.150 1.588 -14.881
5 HB3 ALA 56 HXT ALA 56 84.362 3.079 -14.368
No H/Q in entry = 5
Start of MODEL 6
1 HB2 PRO 57 HG2 PRO 57 82.266 -1.394 -10.530
2 HB3 PRO 57 HG3 PRO 57 81.140 -1.803 -11.838
3 HG2 PRO 57 HD2 PRO 57 84.101 -1.586 -11.891
4 HG3 PRO 57 HD3 PRO 57 83.033 -2.719 -12.734
5 HD2 PRO 57 HD3 PRO 57 84.197 -0.575 -13.941
6 HD3 PRO 57 HXT PRO 57 82.650 -1.275 -14.466
7 HA PRO 57 HB1 PRO 57 80.792 0.474 -11.924
No H/Q in entry = 7
Start of MODEL 6
1 H GLN 58 H GLN 58 80.882 1.342 -9.792
2 HB2 GLN 58 HG2 GLN 58 80.488 2.777 -8.045
3 HB3 GLN 58 HG3 GLN 58 81.714 3.891 -7.440
4 HE21 GLN 58 HE22 GLN 58 78.481 4.450 -9.835
5 HE22 GLN 58 HXT GLN 58 78.089 5.847 -8.954
6 HA GLN 58 HB1 GLN 58 83.302 2.944 -9.170
7 HG3 GLN 58 HD3 GLN 58 80.629 3.784 -10.270
8 HG2 GLN 58 HD2 GLN 58 81.936 4.840 -9.735
No H/Q in entry = 8
Start of MODEL 6
1 H SER 59 H SER 59 84.844 1.729 -8.106
2 HG SER 59 HXT SER 59 87.389 -0.174 -8.153
3 HA SER 59 HB1 SER 59 84.281 -0.536 -6.407
4 HB3 SER 59 HG3 SER 59 86.680 -0.398 -5.938
5 HB2 SER 59 HG2 SER 59 86.727 1.256 -6.539
No H/Q in entry = 5
Start of MODEL 6
1 H GLN 60 H GLN 60 84.818 2.912 -5.774
2 HB2 GLN 60 HG2 GLN 60 84.557 5.195 -3.060
3 HB3 GLN 60 HG3 GLN 60 85.633 4.754 -4.382
4 HE21 GLN 60 HE22 GLN 60 82.568 7.334 -4.112
5 HE22 GLN 60 HXT GLN 60 83.448 8.474 -5.009
6 HA GLN 60 HB1 GLN 60 85.156 2.800 -2.942
7 HG3 GLN 60 HD3 GLN 60 82.619 5.073 -4.548
8 HG2 GLN 60 HD2 GLN 60 83.636 4.512 -5.873
No H/Q in entry = 8
Start of MODEL 6
1 H ILE 61 H ILE 61 83.715 2.477 -1.292
2 HB ILE 61 HG12 ILE 61 82.420 1.569 0.595
3 HG12 ILE 61 HG13 ILE 61 83.357 0.233 -1.238
4 HG13 ILE 61 HG21 ILE 61 82.455 -0.811 -0.145
5 HG21 ILE 61 HG22 ILE 61 79.636 0.913 -0.321
6 HG22 ILE 61 HG23 ILE 61 80.455 -0.155 0.818
7 HD11 ILE 61 HD12 ILE 61 80.578 0.071 -2.069
8 HD12 ILE 61 HD13 ILE 61 82.035 -0.342 -2.972
9 HG23 ILE 61 HXT ILE 61 80.178 1.534 1.237
10 HD13 ILE 61 HXT ILE 61 81.277 -1.540 -1.925
11 HA ILE 61 HB1 ILE 61 80.841 2.072 -1.953
No H/Q in entry = 11
Start of MODEL 6
1 H TYR 62 H TYR 62 79.188 3.162 -0.653
2 HD1 TYR 62 HD2 TYR 62 78.970 7.690 -1.766
3 HD2 TYR 62 HE1 TYR 62 77.557 3.685 -2.574
4 HE1 TYR 62 HE2 TYR 62 79.314 8.062 -4.210
5 HE2 TYR 62 HH TYR 62 77.900 4.057 -5.018
6 HH TYR 62 HXT TYR 62 79.703 5.990 -6.355
7 HA TYR 62 HB1 TYR 62 80.033 5.922 0.084
8 HB3 TYR 62 HG3 TYR 62 77.584 6.322 -0.097
9 HB2 TYR 62 HG2 TYR 62 77.349 4.611 -0.399
No H/Q in entry = 9
Start of MODEL 6
1 H ASP 63 H ASP 63 80.567 6.086 2.241
2 HA ASP 63 HB1 ASP 63 79.767 4.563 4.453
3 HB3 ASP 63 HG3 ASP 63 80.234 6.698 5.714
4 HB2 ASP 63 HG2 ASP 63 80.314 7.528 4.160
No H/Q in entry = 4
Start of MODEL 6
1 H TYR 64 H TYR 64 78.041 7.314 2.969
2 HD1 TYR 64 HD2 TYR 64 74.234 9.797 3.984
3 HD2 TYR 64 HE1 TYR 64 75.645 8.128 7.718
4 HE1 TYR 64 HE2 TYR 64 72.158 10.575 5.116
5 HE2 TYR 64 HH TYR 64 73.565 8.911 8.844
6 HH TYR 64 HXT TYR 64 71.209 9.490 8.181
7 HA TYR 64 HB1 TYR 64 75.543 6.579 4.390
8 HB3 TYR 64 HG3 TYR 64 76.847 9.300 4.646
9 HB2 TYR 64 HG2 TYR 64 77.017 8.039 5.849
No H/Q in entry = 9
Start of MODEL 6
1 H ILE 65 H ILE 65 73.893 6.869 2.937
2 HB ILE 65 HG12 ILE 65 72.927 6.385 0.571
3 HG12 ILE 65 HG13 ILE 65 75.337 7.746 -0.687
4 HG13 ILE 65 HG21 ILE 65 75.421 6.497 0.553
5 HG21 ILE 65 HG22 ILE 65 73.104 8.801 -1.264
6 HG22 ILE 65 HG23 ILE 65 72.655 7.181 -1.798
7 HD11 ILE 65 HD12 ILE 65 73.913 5.141 -1.144
8 HD12 ILE 65 HD13 ILE 65 74.599 6.258 -2.324
9 HG23 ILE 65 HXT ILE 65 71.630 8.049 -0.654
10 HD13 ILE 65 HXT ILE 65 75.658 5.214 -1.379
11 HA ILE 65 HB1 ILE 65 74.104 9.159 0.998
No H/Q in entry = 11
Start of MODEL 6
1 H LEU 66 H LEU 66 72.469 10.603 1.269
2 HD11 LEU 66 HD12 LEU 66 69.979 11.812 4.847
3 HD12 LEU 66 HD13 LEU 66 68.375 12.544 4.860
4 HD13 LEU 66 HD21 LEU 66 68.596 10.916 4.219
5 HD21 LEU 66 HD22 LEU 66 69.903 14.386 2.151
6 HD22 LEU 66 HD23 LEU 66 68.385 14.416 3.050
7 HG LEU 66 HXT LEU 66 68.486 12.198 2.263
8 HD23 LEU 66 HXT LEU 66 69.918 14.277 3.912
9 HA LEU 66 HB1 LEU 66 70.069 9.902 2.858
10 HB3 LEU 66 HG3 LEU 66 70.890 12.483 1.484
11 HB2 LEU 66 HG2 LEU 66 71.389 12.030 3.114
No H/Q in entry = 11
Start of MODEL 6
1 H PHE 67 H PHE 67 68.019 9.650 1.949
2 HD1 PHE 67 HD2 PHE 67 68.086 8.925 -2.735
3 HD2 PHE 67 HE1 PHE 67 69.121 5.903 0.177
4 HE1 PHE 67 HE2 PHE 67 69.821 8.028 -4.275
5 HE2 PHE 67 HZ PHE 67 70.872 5.017 -1.363
6 HZ PHE 67 HXT PHE 67 71.223 6.081 -3.594
7 HA PHE 67 HB1 PHE 67 67.750 9.977 -1.014
8 HB3 PHE 67 HG3 PHE 67 66.447 7.668 -0.613
9 HB2 PHE 67 HG2 PHE 67 67.567 7.562 0.730
No H/Q in entry = 9
Start of MODEL 6
1 H ARG 68 H ARG 68 65.867 11.038 -1.489
2 HB2 ARG 68 HG2 ARG 68 64.168 12.402 -2.239
3 HB3 ARG 68 HG3 ARG 68 62.756 12.765 -1.249
4 HG2 ARG 68 HD2 ARG 68 64.283 13.542 0.570
5 HG3 ARG 68 HD3 ARG 68 65.650 13.287 -0.514
6 HD2 ARG 68 HD3 ARG 68 63.307 15.121 -1.138
7 HE ARG 68 HH12 ARG 68 65.576 14.107 -2.684
8 HH11 ARG 68 HH21 ARG 68 63.401 16.816 -2.256
9 HH12 ARG 68 HH22 ARG 68 63.605 17.363 -3.883
10 HD3 ARG 68 HXT ARG 68 64.874 15.672 -0.515
11 HH21 ARG 68 HXT ARG 68 65.808 14.853 -4.777
12 HH22 ARG 68 H1 ARG 68 64.952 16.267 -5.295
13 HA ARG 68 HB1 ARG 68 63.690 11.220 0.514
No H/Q in entry = 13
Start of MODEL 6
1 H GLY 69 H GLY 69 61.590 10.356 0.150
2 HA2 GLY 69 HA3 GLY 69 59.987 8.857 -0.682
3 HA3 GLY 69 HXT GLY 69 61.350 7.897 -1.255
No H/Q in entry = 3
Start of MODEL 6
1 H SER 70 H SER 70 60.941 11.194 -2.366
2 HG SER 70 HXT SER 70 58.733 13.342 -3.718
3 HA SER 70 HB1 SER 70 59.268 10.705 -4.651
4 HB3 SER 70 HG3 SER 70 60.051 12.932 -5.323
5 HB2 SER 70 HG2 SER 70 61.394 12.821 -4.188
No H/Q in entry = 5
Start of MODEL 6
1 H ASP 71 H ASP 71 62.810 10.619 -4.228
2 HA ASP 71 HB1 ASP 71 63.286 10.359 -7.116
3 HB3 ASP 71 HG3 ASP 71 64.807 11.605 -5.628
4 HB2 ASP 71 HG2 ASP 71 65.653 10.264 -6.396
No H/Q in entry = 4
Start of MODEL 6
1 H ILE 72 H ILE 72 63.198 8.188 -4.310
2 HB ILE 72 HG12 ILE 72 63.956 6.457 -3.156
3 HG12 ILE 72 HG13 ILE 72 65.984 4.955 -4.777
4 HG13 ILE 72 HG21 ILE 72 65.811 6.687 -5.048
5 HG21 ILE 72 HG22 ILE 72 64.034 3.685 -4.399
6 HG22 ILE 72 HG23 ILE 72 64.466 4.064 -2.733
7 HD11 ILE 72 HD12 ILE 72 66.171 5.501 -2.296
8 HD12 ILE 72 HD13 ILE 72 67.530 6.018 -3.300
9 HG23 ILE 72 HXT ILE 72 62.804 4.279 -3.283
10 HD13 ILE 72 HXT ILE 72 66.320 7.190 -2.773
11 HA ILE 72 HB1 ILE 72 63.841 5.887 -6.106
No H/Q in entry = 11
Start of MODEL 6
1 H LYS 73 H LYS 73 62.371 4.183 -6.382
2 HB2 LYS 73 HG2 LYS 73 60.604 4.901 -8.256
3 HB3 LYS 73 HG3 LYS 73 60.707 3.159 -8.000
4 HG2 LYS 73 HG3 LYS 73 58.255 3.077 -7.651
5 HG3 LYS 73 HD2 LYS 73 58.164 4.812 -7.957
6 HD2 LYS 73 HD3 LYS 73 59.201 4.401 -10.210
7 HE2 LYS 73 HE3 LYS 73 57.082 3.135 -11.091
8 HE3 LYS 73 HZ1 LYS 73 56.543 3.224 -9.402
9 HZ1 LYS 73 HZ2 LYS 73 57.522 5.531 -11.002
10 HZ2 LYS 73 HZ3 LYS 73 55.889 5.202 -10.682
11 HD3 LYS 73 HXT LYS 73 59.070 2.670 -9.900
12 HZ3 LYS 73 HXT LYS 73 56.942 5.590 -9.406
13 HA LYS 73 HB1 LYS 73 59.553 5.080 -5.962
No H/Q in entry = 13
Start of MODEL 6
1 H ASP 74 H ASP 74 61.768 2.451 -5.195
2 HA ASP 74 HB1 ASP 74 59.512 1.041 -3.859
3 HB3 ASP 74 HG3 ASP 74 61.321 -0.334 -5.868
4 HB2 ASP 74 HG2 ASP 74 59.710 0.266 -6.262
No H/Q in entry = 4
Start of MODEL 6
1 H ILE 75 H ILE 75 60.154 0.206 -1.948
2 HB ILE 75 HG12 ILE 75 62.486 1.704 -0.577
3 HG12 ILE 75 HG13 ILE 75 62.714 -0.312 1.668
4 HG13 ILE 75 HG21 ILE 75 64.049 0.017 0.560
5 HG21 ILE 75 HG22 ILE 75 60.069 1.313 -0.218
6 HG22 ILE 75 HG23 ILE 75 60.450 0.164 1.065
7 HD11 ILE 75 HD12 ILE 75 63.572 2.527 1.164
8 HD12 ILE 75 HD13 ILE 75 62.772 1.844 2.579
9 HG23 ILE 75 HXT ILE 75 60.856 1.870 1.259
10 HD13 ILE 75 HXT ILE 75 64.484 1.526 2.293
11 HA ILE 75 HB1 ILE 75 63.039 -0.507 -1.559
No H/Q in entry = 11
Start of MODEL 6
1 H ARG 76 H ARG 76 63.334 -2.469 -0.482
2 HB2 ARG 76 HG2 ARG 76 62.513 -4.835 -1.484
3 HB3 ARG 76 HG3 ARG 76 61.447 -5.808 -0.472
4 HG2 ARG 76 HD2 ARG 76 59.628 -4.098 -0.926
5 HG3 ARG 76 HD3 ARG 76 60.702 -3.387 -2.131
6 HD2 ARG 76 HD3 ARG 76 59.871 -6.310 -2.149
7 HE ARG 76 HH12 ARG 76 61.978 -5.027 -3.431
8 HH11 ARG 76 HH21 ARG 76 59.007 -6.522 -4.522
9 HH12 ARG 76 HH22 ARG 76 59.677 -6.962 -6.053
10 HD3 ARG 76 HXT ARG 76 59.080 -5.048 -3.113
11 HH21 ARG 76 HXT ARG 76 62.799 -5.617 -5.422
12 HH22 ARG 76 H1 ARG 76 61.798 -6.457 -6.560
13 HA ARG 76 HB1 ARG 76 61.033 -3.734 0.923
No H/Q in entry = 13
Start of MODEL 6
1 H VAL 77 H VAL 77 61.699 -5.214 2.515
2 HB VAL 77 HG12 VAL 77 63.692 -6.312 5.304
3 HG11 VAL 77 HG12 VAL 77 63.488 -3.772 4.892
4 HG12 VAL 77 HG13 VAL 77 61.772 -4.086 4.630
5 HG13 VAL 77 HG21 VAL 77 62.511 -4.468 6.186
6 HG21 VAL 77 HG22 VAL 77 61.854 -7.515 3.883
7 HG22 VAL 77 HG23 VAL 77 61.465 -7.037 5.533
8 HG23 VAL 77 HXT VAL 77 60.905 -6.059 4.178
9 HA VAL 77 HB1 VAL 77 64.542 -5.117 3.287
No H/Q in entry = 9
Start of MODEL 6
1 H VAL 78 H VAL 78 65.922 -6.954 3.425
2 HB VAL 78 HG12 VAL 78 66.978 -9.493 0.752
3 HG11 VAL 78 HG12 VAL 78 64.778 -8.604 -0.050
4 HG12 VAL 78 HG13 VAL 78 65.308 -6.987 0.412
5 HG13 VAL 78 HG21 VAL 78 66.163 -7.867 -0.855
6 HG21 VAL 78 HG22 VAL 78 67.312 -6.689 1.874
7 HG22 VAL 78 HG23 VAL 78 68.420 -8.044 2.097
8 HG23 VAL 78 HXT VAL 78 68.210 -7.331 0.497
9 HA VAL 78 HB1 VAL 78 64.931 -9.492 2.195
No H/Q in entry = 9
Start of MODEL 6
1 H ASN 79 H ASN 79 66.032 -11.350 2.927
2 HD21 ASN 79 HD22 ASN 79 66.908 -11.868 7.486
3 HD22 ASN 79 HXT ASN 79 67.724 -13.194 8.163
4 HA ASN 79 HB1 ASN 79 67.757 -10.938 5.329
5 HB3 ASN 79 HG3 ASN 79 66.378 -13.429 4.281
6 HB2 ASN 79 HG2 ASN 79 65.612 -12.277 5.374
No H/Q in entry = 6
Start of MODEL 6
1 H ASN 80 H ASN 80 69.803 -11.954 5.464
2 HD21 ASN 80 HD22 ASN 80 72.706 -10.807 3.270
3 HD22 ASN 80 HXT ASN 80 72.875 -9.467 4.297
4 HA ASN 80 HB1 ASN 80 71.312 -12.276 3.037
5 HB3 ASN 80 HG3 ASN 80 73.037 -13.157 4.661
6 HB2 ASN 80 HG2 ASN 80 71.800 -13.102 5.916
No H/Q in entry = 6
Start of MODEL 6
1 H HIS 81 H HIS 81 69.612 -14.581 5.115
2 HD1 HIS 81 HD2 HIS 81 72.164 -18.373 5.377
3 HD2 HIS 81 HE1 HIS 81 70.456 -15.532 7.905
4 HE1 HIS 81 HE2 HIS 81 73.918 -17.816 7.118
5 HA HIS 81 HB1 HIS 81 70.680 -16.896 3.585
6 HB3 HIS 81 HG3 HIS 81 69.420 -18.152 5.335
7 HB2 HIS 81 HG2 HIS 81 68.832 -16.627 5.971
No H/Q in entry = 7
Start of MODEL 6
1 H THR 82 H THR 82 69.614 -17.175 1.647
2 HG1 THR 82 HG21 THR 82 68.724 -15.612 -1.359
3 HG21 THR 82 HG22 THR 82 67.945 -14.698 1.715
4 HG22 THR 82 HG23 THR 82 67.493 -13.939 0.189
5 HG23 THR 82 HXT THR 82 66.266 -14.731 1.177
6 HA THR 82 HB1 THR 82 66.613 -17.207 1.699
7 HB THR 82 HG12 THR 82 66.792 -16.232 -0.624
No H/Q in entry = 7
Start of MODEL 6
1 H LEU 83 H LEU 83 65.732 -18.528 -0.161
2 HD11 LEU 83 HD12 LEU 83 63.686 -19.414 0.419
3 HD12 LEU 83 HD13 LEU 83 63.301 -20.664 1.601
4 HD13 LEU 83 HD21 LEU 83 64.920 -19.965 1.551
5 HD21 LEU 83 HD22 LEU 83 63.572 -22.853 -1.251
6 HD22 LEU 83 HD23 LEU 83 62.875 -22.683 0.360
7 HG LEU 83 HXT LEU 83 65.220 -22.003 0.429
8 HD23 LEU 83 HXT LEU 83 62.533 -21.477 -0.880
9 HA LEU 83 HB1 LEU 83 67.041 -21.113 -0.329
10 HB3 LEU 83 HG3 LEU 83 65.108 -21.359 -2.099
11 HB2 LEU 83 HG2 LEU 83 64.613 -19.775 -1.503
No H/Q in entry = 11
Start of MODEL 6
1 HB2 PRO 84 HG2 PRO 84 69.355 -22.961 -5.131
2 HB3 PRO 84 HG3 PRO 84 70.366 -22.649 -3.707
3 HG2 PRO 84 HD2 PRO 84 67.689 -23.923 -3.885
4 HG3 PRO 84 HD3 PRO 84 69.054 -24.301 -2.824
5 HD2 PRO 84 HD3 PRO 84 66.856 -22.924 -2.003
6 HD3 PRO 84 HXT PRO 84 68.469 -22.715 -1.285
7 HA PRO 84 HB1 PRO 84 69.556 -20.500 -3.899
No H/Q in entry = 7
Start of MODEL 7
1 H1 GLY -3 H1 GLY -3 67.961 -23.015 23.060
2 H2 GLY -3 H2 GLY -3 69.000 -23.481 21.799
3 H3 GLY -3 H3 GLY -3 69.496 -22.307 22.923
4 HA2 GLY -3 HA3 GLY -3 67.450 -22.057 20.799
5 HA3 GLY -3 HXT GLY -3 68.916 -21.101 21.016
No H/Q in entry = 5
Start of MODEL 7
1 H ALA -2 H ALA -2 66.221 -20.051 20.840
2 HA ALA -2 HB1 ALA -2 66.101 -18.651 23.476
3 HB1 ALA -2 HB2 ALA -2 64.867 -16.958 22.136
4 HB2 ALA -2 HB3 ALA -2 66.436 -17.331 21.422
5 HB3 ALA -2 HXT ALA -2 64.966 -18.019 20.731
No H/Q in entry = 5
Start of MODEL 7
1 H MET -1 H MET -1 64.209 -18.683 24.703
2 HB2 MET -1 HG2 MET -1 62.315 -18.302 26.031
3 HB3 MET -1 HG3 MET -1 61.164 -19.621 26.248
4 HE1 MET -1 HE2 MET -1 60.973 -21.032 27.717
5 HE2 MET -1 HE3 MET -1 61.616 -21.729 29.203
6 HE3 MET -1 HXT MET -1 60.608 -20.285 29.280
7 HA MET -1 HB1 MET -1 62.341 -20.850 24.382
8 HG3 MET -1 HD3 MET -1 64.175 -19.778 26.565
9 HG2 MET -1 HD2 MET -1 63.097 -21.173 26.626
No H/Q in entry = 9
Start of MODEL 7
1 H ALA 0 H ALA 0 62.170 -17.387 23.587
2 HA ALA 0 HB1 ALA 0 59.949 -17.918 21.706
3 HB1 ALA 0 HB2 ALA 0 59.594 -15.794 23.813
4 HB2 ALA 0 HB3 ALA 0 58.362 -16.611 22.851
5 HB3 ALA 0 HXT ALA 0 59.166 -17.468 24.167
No H/Q in entry = 5
Start of MODEL 7
1 H MET 1 H MET 1 59.757 -16.241 20.133
2 HB2 MET 1 HG2 MET 1 62.146 -16.034 18.601
3 HB3 MET 1 HG3 MET 1 60.666 -15.477 17.819
4 HE1 MET 1 HE2 MET 1 64.099 -15.992 17.490
5 HE2 MET 1 HE3 MET 1 63.122 -17.077 16.505
6 HE3 MET 1 HXT MET 1 64.552 -16.294 15.814
7 HA MET 1 HB1 MET 1 61.889 -14.124 20.244
8 HG3 MET 1 HD3 MET 1 63.247 -13.921 18.138
9 HG2 MET 1 HD2 MET 1 61.747 -13.226 17.525
No H/Q in entry = 9
Start of MODEL 7
1 H SER 2 H SER 2 61.028 -12.096 20.364
2 HG SER 2 HXT SER 2 57.318 -12.129 21.360
3 HA SER 2 HB1 SER 2 58.345 -11.591 19.109
4 HB3 SER 2 HG3 SER 2 57.974 -10.038 21.000
5 HB2 SER 2 HG2 SER 2 59.563 -10.444 21.642
No H/Q in entry = 5
Start of MODEL 7
1 H GLY 3 H GLY 3 58.190 -9.688 17.891
2 HA2 GLY 3 HA3 GLY 3 60.222 -8.567 16.480
3 HA3 GLY 3 HXT GLY 3 60.327 -7.668 17.994
No H/Q in entry = 3
Start of MODEL 7
1 H GLY 4 H GLY 4 59.029 -5.897 18.176
2 HA2 GLY 4 HA3 GLY 4 56.936 -4.699 17.915
3 HA3 GLY 4 HXT GLY 4 56.546 -5.738 16.543
No H/Q in entry = 3
Start of MODEL 7
1 H LEU 5 H LEU 5 59.200 -3.510 17.475
2 HD11 LEU 5 HD12 LEU 5 59.260 -1.773 18.970
3 HD12 LEU 5 HD13 LEU 5 58.073 -0.477 19.104
4 HD13 LEU 5 HD21 LEU 5 57.746 -1.868 18.071
5 HD21 LEU 5 HD22 LEU 5 60.798 0.561 18.191
6 HD22 LEU 5 HD23 LEU 5 59.979 1.480 16.928
7 HG LEU 5 HXT LEU 5 58.416 -0.234 16.524
8 HD23 LEU 5 HXT LEU 5 59.212 1.269 18.502
9 HA LEU 5 HB1 LEU 5 58.792 -1.859 15.083
10 HB3 LEU 5 HG3 LEU 5 60.930 -0.789 16.074
11 HB2 LEU 5 HG2 LEU 5 60.738 -1.941 17.396
No H/Q in entry = 11
Start of MODEL 7
1 HB2 PRO 6 HG2 PRO 6 62.788 -1.828 11.089
2 HB3 PRO 6 HG3 PRO 6 61.173 -2.454 10.706
3 HG2 PRO 6 HD2 PRO 6 61.949 -0.077 12.306
4 HG3 PRO 6 HD3 PRO 6 60.578 -0.305 11.211
5 HD2 PRO 6 HD3 PRO 6 60.349 -0.375 13.917
6 HD3 PRO 6 HXT PRO 6 59.280 -1.282 12.823
7 HA PRO 6 HB1 PRO 6 61.603 -3.962 12.392
No H/Q in entry = 7
Start of MODEL 7
1 H GLU 7 H GLU 7 63.628 -4.808 12.761
2 HB2 GLU 7 HG2 GLU 7 65.769 -5.761 12.557
3 HB3 GLU 7 HG3 GLU 7 66.877 -5.597 13.921
4 HA GLU 7 HB1 GLU 7 65.317 -3.867 14.884
5 HG3 GLU 7 HD3 GLU 7 63.966 -6.433 14.075
6 HG2 GLU 7 HD2 GLU 7 65.020 -6.191 15.467
No H/Q in entry = 6
Start of MODEL 7
1 H LEU 8 H LEU 8 66.812 -2.240 14.846
2 HD11 LEU 8 HD12 LEU 8 68.644 1.524 16.195
3 HD12 LEU 8 HD13 LEU 8 66.953 1.803 16.612
4 HD13 LEU 8 HD21 LEU 8 67.743 0.301 17.093
5 HD21 LEU 8 HD22 LEU 8 67.715 2.041 13.693
6 HD22 LEU 8 HD23 LEU 8 66.361 1.046 13.158
7 HG LEU 8 HXT LEU 8 66.411 -0.251 15.188
8 HD23 LEU 8 HXT LEU 8 66.150 2.180 14.492
9 HA LEU 8 HB1 LEU 8 67.416 -0.641 12.541
10 HB3 LEU 8 HG3 LEU 8 69.176 0.280 14.075
11 HB2 LEU 8 HG2 LEU 8 68.829 -1.033 15.198
No H/Q in entry = 11
Start of MODEL 7
1 H GLY 9 H GLY 9 69.354 -0.561 11.272
2 HA2 GLY 9 HA3 GLY 9 71.545 -2.437 11.696
3 HA3 GLY 9 HXT GLY 9 71.391 -1.288 10.386
No H/Q in entry = 3
Start of MODEL 7
1 H SER 10 H SER 10 68.521 -2.967 10.350
2 HG SER 10 HXT SER 10 66.525 -4.274 10.790
3 HA SER 10 HB1 SER 10 69.170 -5.487 9.174
4 HB3 SER 10 HG3 SER 10 66.828 -5.272 8.261
5 HB2 SER 10 HG2 SER 10 66.815 -3.607 8.835
No H/Q in entry = 5
Start of MODEL 7
1 H LYS 11 H LYS 11 69.401 -6.107 6.975
2 HB2 LYS 11 HG2 LYS 11 71.043 -5.988 3.788
3 HB3 LYS 11 HG3 LYS 11 71.445 -6.340 5.465
4 HG2 LYS 11 HG3 LYS 11 69.171 -7.484 5.645
5 HG3 LYS 11 HD2 LYS 11 69.049 -7.324 3.895
6 HD2 LYS 11 HD3 LYS 11 71.414 -8.633 5.252
7 HE2 LYS 11 HE3 LYS 11 70.337 -8.626 2.406
8 HE3 LYS 11 HZ1 LYS 11 71.861 -7.909 2.969
9 HZ1 LYS 11 HZ2 LYS 11 72.564 -10.098 3.731
10 HZ2 LYS 11 HZ3 LYS 11 71.122 -10.783 3.157
11 HD3 LYS 11 HXT LYS 11 69.994 -9.538 4.727
12 HZ3 LYS 11 HXT LYS 11 72.241 -10.121 2.063
13 HA LYS 11 HB1 LYS 11 70.487 -4.054 5.182
No H/Q in entry = 13
Start of MODEL 7
1 H ILE 12 H ILE 12 69.285 -2.931 3.721
2 HB ILE 12 HG12 ILE 12 67.490 -1.204 3.280
3 HG12 ILE 12 HG13 ILE 12 65.474 -2.914 4.773
4 HG13 ILE 12 HG21 ILE 12 67.120 -2.628 5.336
5 HG21 ILE 12 HG22 ILE 12 65.853 -1.479 1.430
6 HG22 ILE 12 HG23 ILE 12 64.800 -2.390 2.511
7 HD11 ILE 12 HD12 ILE 12 66.646 -0.157 5.245
8 HD12 ILE 12 HD13 ILE 12 64.964 -0.546 4.887
9 HG23 ILE 12 HXT ILE 12 65.124 -0.686 2.827
10 HD13 ILE 12 HXT ILE 12 65.671 -1.027 6.430
11 HA ILE 12 HB1 ILE 12 66.669 -4.095 2.817
No H/Q in entry = 11
Start of MODEL 7
1 H SER 13 H SER 13 66.239 -4.011 0.617
2 HG SER 13 HXT SER 13 66.615 -4.572 -3.661
3 HA SER 13 HB1 SER 13 68.427 -3.088 -1.190
4 HB3 SER 13 HG3 SER 13 65.966 -4.803 -1.683
5 HB2 SER 13 HG2 SER 13 67.562 -5.437 -1.289
No H/Q in entry = 5
Start of MODEL 7
1 H LEU 14 H LEU 14 67.997 -1.465 -2.719
2 HD11 LEU 14 HD12 LEU 14 65.420 1.521 -0.028
3 HD12 LEU 14 HD13 LEU 14 64.590 2.946 -0.656
4 HD13 LEU 14 HD21 LEU 14 64.368 1.380 -1.437
5 HD21 LEU 14 HD22 LEU 14 67.780 3.035 -0.503
6 HD22 LEU 14 HD23 LEU 14 67.666 3.922 -2.023
7 HG LEU 14 HXT LEU 14 65.906 2.596 -2.817
8 HD23 LEU 14 HXT LEU 14 66.448 4.159 -0.770
9 HA LEU 14 HB1 LEU 14 65.359 -0.064 -2.470
10 HB3 LEU 14 HG3 LEU 14 68.050 1.307 -2.475
11 HB2 LEU 14 HG2 LEU 14 67.365 0.677 -0.979
No H/Q in entry = 11
Start of MODEL 7
1 H ILE 15 H ILE 15 64.554 0.363 -4.496
2 HB ILE 15 HG12 ILE 15 63.419 -0.020 -6.617
3 HG12 ILE 15 HG13 ILE 15 65.525 -2.113 -7.233
4 HG13 ILE 15 HG21 ILE 15 64.896 -1.843 -5.609
5 HG21 ILE 15 HG22 ILE 15 64.224 0.877 -8.811
6 HG22 ILE 15 HG23 ILE 15 65.281 -0.528 -8.961
7 HD11 ILE 15 HD12 ILE 15 62.589 -2.238 -6.479
8 HD12 ILE 15 HD13 ILE 15 63.283 -2.624 -8.055
9 HG23 ILE 15 HXT ILE 15 63.529 -0.738 -8.948
10 HD13 ILE 15 HXT ILE 15 63.636 -3.646 -6.661
11 HA ILE 15 HB1 ILE 15 66.440 0.325 -6.824
No H/Q in entry = 11
Start of MODEL 7
1 H SER 16 H SER 16 66.952 2.321 -7.601
2 HG SER 16 HXT SER 16 68.428 5.346 -5.987
3 HA SER 16 HB1 SER 16 65.328 4.689 -6.871
4 HB3 SER 16 HG3 SER 16 67.332 5.873 -7.742
5 HB2 SER 16 HG2 SER 16 68.006 4.323 -8.241
No H/Q in entry = 5
Start of MODEL 7
1 H LYS 17 H LYS 17 64.812 6.314 -8.541
2 HB2 LYS 17 HG2 LYS 17 63.185 7.581 -9.454
3 HB3 LYS 17 HG3 LYS 17 64.510 7.995 -10.540
4 HG2 LYS 17 HG3 LYS 17 63.047 7.482 -12.484
5 HG3 LYS 17 HD2 LYS 17 61.718 7.147 -11.372
6 HD2 LYS 17 HD3 LYS 17 61.963 9.474 -10.468
7 HE2 LYS 17 HE3 LYS 17 61.569 9.607 -13.464
8 HE3 LYS 17 HZ1 LYS 17 60.406 8.759 -12.424
9 HZ1 LYS 17 HZ2 LYS 17 60.263 10.742 -11.038
10 HZ2 LYS 17 HZ3 LYS 17 61.343 11.558 -12.064
11 HD3 LYS 17 HXT LYS 17 63.162 9.790 -11.723
12 HZ3 LYS 17 HXT LYS 17 59.812 11.094 -12.635
13 HA LYS 17 HB1 LYS 17 63.115 5.309 -10.541
No H/Q in entry = 13
Start of MODEL 7
1 H ALA 18 H ALA 18 66.569 5.604 -10.758
2 HA ALA 18 HB1 ALA 18 66.608 5.770 -13.705
3 HB1 ALA 18 HB2 ALA 18 69.137 5.497 -13.135
4 HB2 ALA 18 HB3 ALA 18 68.331 6.973 -12.600
5 HB3 ALA 18 HXT ALA 18 68.624 5.662 -11.453
No H/Q in entry = 5
Start of MODEL 7
1 H ASP 19 H ASP 19 65.500 3.359 -12.070
2 HA ASP 19 HB1 ASP 19 65.594 1.013 -12.074
3 HB3 ASP 19 HG3 ASP 19 66.376 0.074 -14.269
4 HB2 ASP 19 HG2 ASP 19 66.953 1.680 -14.710
No H/Q in entry = 4
Start of MODEL 7
1 H ILE 20 H ILE 20 67.730 2.487 -10.746
2 HB ILE 20 HG12 ILE 20 69.758 3.223 -9.488
3 HG12 ILE 20 HG13 ILE 20 71.033 2.928 -12.230
4 HG13 ILE 20 HG21 ILE 20 69.429 3.593 -11.952
5 HG21 ILE 20 HG22 ILE 20 72.193 1.643 -10.378
6 HG22 ILE 20 HG23 ILE 20 72.275 3.238 -9.628
7 HD11 ILE 20 HD12 ILE 20 70.512 5.281 -10.394
8 HD12 ILE 20 HD13 ILE 20 72.070 4.718 -10.998
9 HG23 ILE 20 HXT ILE 20 71.624 1.872 -8.723
10 HD13 ILE 20 HXT ILE 20 70.915 5.468 -12.100
11 HA ILE 20 HB1 ILE 20 70.107 0.709 -11.164
No H/Q in entry = 11
Start of MODEL 7
1 H ARG 21 H ARG 21 70.829 -0.616 -9.440
2 HB2 ARG 21 HG2 ARG 21 69.417 -2.827 -8.807
3 HB3 ARG 21 HG3 ARG 21 71.071 -2.797 -8.196
4 HG2 ARG 21 HD2 ARG 21 70.189 -3.200 -5.896
5 HG3 ARG 21 HD3 ARG 21 68.567 -3.345 -6.575
6 HD2 ARG 21 HD3 ARG 21 70.913 -5.079 -7.432
7 HE ARG 21 HH12 ARG 21 69.284 -5.356 -9.130
8 HH11 ARG 21 HH21 ARG 21 67.723 -5.153 -6.004
9 HH12 ARG 21 HH22 ARG 21 66.165 -5.539 -6.647
10 HD3 ARG 21 HXT ARG 21 69.688 -5.575 -6.249
11 HH21 ARG 21 HXT ARG 21 67.249 -5.850 -9.916
12 HH22 ARG 21 H1 ARG 21 65.897 -5.929 -8.836
13 HA ARG 21 HB1 ARG 21 68.874 -0.950 -7.198
No H/Q in entry = 13
Start of MODEL 7
1 H TYR 22 H TYR 22 69.510 -0.010 -5.334
2 HD1 TYR 22 HD2 TYR 22 73.485 2.886 -4.174
3 HD2 TYR 22 HE1 TYR 22 69.617 2.538 -6.080
4 HE1 TYR 22 HE2 TYR 22 74.186 4.542 -5.903
5 HE2 TYR 22 HH TYR 22 70.320 4.197 -7.816
6 HH TYR 22 HXT TYR 22 72.880 6.226 -7.487
7 HA TYR 22 HB1 TYR 22 72.417 0.035 -4.599
8 HB3 TYR 22 HG3 TYR 22 71.581 1.845 -3.028
9 HB2 TYR 22 HG2 TYR 22 70.018 1.701 -3.801
No H/Q in entry = 9
Start of MODEL 7
1 H GLU 23 H GLU 23 72.946 -0.772 -2.492
2 HB2 GLU 23 HG2 GLU 23 71.675 -3.583 -2.354
3 HB3 GLU 23 HG3 GLU 23 73.226 -3.350 -1.547
4 HA GLU 23 HB1 GLU 23 70.699 -1.833 -0.820
5 HG3 GLU 23 HD3 GLU 23 70.643 -4.276 -0.256
6 HG2 GLU 23 HD2 GLU 23 72.126 -3.914 0.628
No H/Q in entry = 6
Start of MODEL 7
1 H GLY 24 H GLY 24 71.130 -1.630 1.411
2 HA2 GLY 24 HA3 GLY 24 72.893 0.367 2.277
3 HA3 GLY 24 HXT GLY 24 73.792 -1.138 2.455
No H/Q in entry = 3
Start of MODEL 7
1 H ARG 25 H ARG 25 73.619 -0.235 4.784
2 HB2 ARG 25 HG2 ARG 25 73.894 -0.074 7.052
3 HB3 ARG 25 HG3 ARG 25 72.885 -0.982 8.178
4 HG2 ARG 25 HD2 ARG 25 73.428 -3.069 6.916
5 HG3 ARG 25 HD3 ARG 25 74.529 -2.132 5.904
6 HD2 ARG 25 HD3 ARG 25 75.763 -1.446 7.998
7 HE ARG 25 HH12 ARG 25 75.968 -3.791 6.534
8 HH11 ARG 25 HH21 ARG 25 76.462 -2.990 9.907
9 HH12 ARG 25 HH22 ARG 25 77.642 -4.234 10.130
10 HD3 ARG 25 HXT ARG 25 74.748 -2.588 8.898
11 HH21 ARG 25 HXT ARG 25 77.499 -5.382 6.873
12 HH22 ARG 25 H1 ARG 25 78.225 -5.574 8.434
13 HA ARG 25 HB1 ARG 25 71.543 -1.784 6.195
No H/Q in entry = 13
Start of MODEL 7
1 H LEU 26 H LEU 26 69.715 -0.904 7.123
2 HD11 LEU 26 HD12 LEU 26 66.906 1.996 6.218
3 HD12 LEU 26 HD13 LEU 26 65.354 1.271 6.639
4 HD13 LEU 26 HD21 LEU 26 65.712 2.929 7.121
5 HD21 LEU 26 HD22 LEU 26 66.062 0.330 10.002
6 HD22 LEU 26 HD23 LEU 26 64.907 1.530 9.423
7 HG LEU 26 HXT LEU 26 67.150 2.267 8.831
8 HD23 LEU 26 HXT LEU 26 65.129 0.023 8.537
9 HA LEU 26 HB1 LEU 26 68.865 1.809 6.753
10 HB3 LEU 26 HG3 LEU 26 68.020 -0.166 8.886
11 HB2 LEU 26 HG2 LEU 26 67.495 -0.254 7.206
No H/Q in entry = 11
Start of MODEL 7
1 H TYR 27 H TYR 27 69.775 3.586 7.789
2 HD1 TYR 27 HD2 TYR 27 73.016 3.805 11.213
3 HD2 TYR 27 HE1 TYR 27 71.880 7.568 9.410
4 HE1 TYR 27 HE2 TYR 27 74.374 5.028 12.913
5 HE2 TYR 27 HH TYR 27 73.237 8.790 11.113
6 HH TYR 27 HXT TYR 27 75.517 7.263 13.101
7 HA TYR 27 HB1 TYR 27 71.012 3.241 10.480
8 HB3 TYR 27 HG3 TYR 27 71.002 5.583 8.562
9 HB2 TYR 27 HG2 TYR 27 72.200 4.301 8.537
No H/Q in entry = 9
Start of MODEL 7
1 H THR 28 H THR 28 68.727 5.428 8.782
2 HG1 THR 28 HG21 THR 28 68.790 8.964 9.558
3 HG21 THR 28 HG22 THR 28 68.550 6.746 12.718
4 HG22 THR 28 HG23 THR 28 69.991 6.899 11.714
5 HG23 THR 28 HXT THR 28 69.274 8.332 12.451
6 HA THR 28 HB1 THR 28 67.144 5.743 11.265
7 HB THR 28 HG12 THR 28 67.419 8.295 10.990
No H/Q in entry = 7
Start of MODEL 7
1 H VAL 29 H VAL 29 65.074 6.784 10.840
2 HB VAL 29 HG12 VAL 29 64.012 4.847 8.542
3 HG11 VAL 29 HG12 VAL 29 63.573 5.306 10.999
4 HG12 VAL 29 HG13 VAL 29 61.956 5.835 10.535
5 HG13 VAL 29 HG21 VAL 29 62.457 4.169 10.243
6 HG21 VAL 29 HG22 VAL 29 61.704 6.671 7.942
7 HG22 VAL 29 HG23 VAL 29 62.503 5.499 6.896
8 HG23 VAL 29 HXT VAL 29 61.398 4.948 8.155
9 HA VAL 29 HB1 VAL 29 64.386 7.243 7.977
No H/Q in entry = 9
Start of MODEL 7
1 H ASP 30 H ASP 30 62.690 8.744 7.704
2 HA ASP 30 HB1 ASP 30 61.438 9.843 10.201
3 HB3 ASP 30 HG3 ASP 30 62.145 11.431 7.728
4 HB2 ASP 30 HG2 ASP 30 63.326 11.160 9.009
No H/Q in entry = 4
Start of MODEL 7
1 HB2 PRO 31 HG2 PRO 31 56.423 8.882 9.868
2 HB3 PRO 31 HG3 PRO 31 56.596 7.348 8.996
3 HG2 PRO 31 HD2 PRO 31 57.643 7.734 11.431
4 HG3 PRO 31 HD3 PRO 31 58.412 6.700 10.218
5 HD2 PRO 31 HD3 PRO 31 59.164 9.433 11.117
6 HD3 PRO 31 HXT PRO 31 60.196 8.086 10.586
7 HA PRO 31 HB1 PRO 31 58.102 8.232 7.509
No H/Q in entry = 7
Start of MODEL 7
1 H GLN 32 H GLN 32 57.901 11.160 9.545
2 HB2 GLN 32 HG2 GLN 32 56.011 12.463 10.532
3 HB3 GLN 32 HG3 GLN 32 57.344 13.543 10.122
4 HE21 GLN 32 HE22 GLN 32 56.473 16.575 10.354
5 HE22 GLN 32 HXT GLN 32 55.887 16.719 11.940
6 HA GLN 32 HB1 GLN 32 55.589 12.189 8.046
7 HG3 GLN 32 HD3 GLN 32 54.430 13.939 9.383
8 HG2 GLN 32 HD2 GLN 32 55.751 14.988 8.868
No H/Q in entry = 8
Start of MODEL 7
1 H GLU 33 H GLU 33 59.076 12.629 8.017
2 HB2 GLU 33 HG2 GLU 33 61.172 13.149 7.206
3 HB3 GLU 33 HG3 GLU 33 61.430 14.535 6.147
4 HA GLU 33 HB1 GLU 33 58.935 14.890 6.130
5 HG3 GLU 33 HD3 GLU 33 61.683 15.047 8.609
6 HG2 GLU 33 HD2 GLU 33 59.963 14.703 8.795
No H/Q in entry = 6
Start of MODEL 7
1 H CYS 34 H CYS 34 58.295 11.630 5.741
2 HG CYS 34 HXT CYS 34 55.850 11.984 2.295
3 HA CYS 34 HB1 CYS 34 58.467 10.087 3.968
4 HB3 CYS 34 HG3 CYS 34 58.367 11.368 1.706
5 HB2 CYS 34 HG2 CYS 34 58.323 12.822 2.702
No H/Q in entry = 5
Start of MODEL 7
1 H THR 35 H THR 35 61.020 10.709 5.193
2 HG1 THR 35 HG21 THR 35 63.575 12.669 6.062
3 HG21 THR 35 HG22 THR 35 61.876 12.855 2.826
4 HG22 THR 35 HG23 THR 35 62.883 14.081 3.595
5 HG23 THR 35 HXT THR 35 63.557 13.049 2.334
6 HA THR 35 HB1 THR 35 62.849 10.509 2.823
7 HB THR 35 HG12 THR 35 64.379 12.023 4.256
No H/Q in entry = 7
Start of MODEL 7
1 H ILE 36 H ILE 36 64.824 9.360 3.277
2 HB ILE 36 HG12 ILE 36 65.373 5.888 4.844
3 HG12 ILE 36 HG13 ILE 36 64.329 7.251 2.344
4 HG13 ILE 36 HG21 ILE 36 66.045 6.937 2.611
5 HG21 ILE 36 HG22 ILE 36 63.092 6.959 5.612
6 HG22 ILE 36 HG23 ILE 36 62.742 6.969 3.884
7 HD11 ILE 36 HD12 ILE 36 64.032 4.716 2.897
8 HD12 ILE 36 HD13 ILE 36 64.644 5.166 1.305
9 HG23 ILE 36 HXT ILE 36 63.092 5.447 4.704
10 HD13 ILE 36 HXT ILE 36 65.759 4.608 2.552
11 HA ILE 36 HB1 ILE 36 65.074 8.100 5.968
No H/Q in entry = 11
Start of MODEL 7
1 H ALA 37 H ALA 37 67.256 7.173 6.301
2 HA ALA 37 HB1 ALA 37 69.313 8.030 4.304
3 HB1 ALA 37 HB2 ALA 37 68.849 9.488 6.490
4 HB2 ALA 37 HB3 ALA 37 70.495 9.216 5.918
5 HB3 ALA 37 HXT ALA 37 69.853 8.249 7.247
No H/Q in entry = 5
Start of MODEL 7
1 H LEU 38 H LEU 38 70.666 6.364 3.836
2 HD11 LEU 38 HD12 LEU 38 69.444 3.732 1.145
3 HD12 LEU 38 HD13 LEU 38 69.452 2.083 1.773
4 HD13 LEU 38 HD21 LEU 38 67.946 2.999 1.718
5 HD21 LEU 38 HD22 LEU 38 69.446 1.829 4.485
6 HD22 LEU 38 HD23 LEU 38 68.545 3.141 5.245
7 HG LEU 38 HXT LEU 38 68.808 4.563 3.399
8 HD23 LEU 38 HXT LEU 38 67.806 2.195 3.952
9 HA LEU 38 HB1 LEU 38 70.624 3.954 5.620
10 HB3 LEU 38 HG3 LEU 38 71.258 2.781 3.503
11 HB2 LEU 38 HG2 LEU 38 71.211 4.330 2.662
No H/Q in entry = 11
Start of MODEL 7
1 H SER 39 H SER 39 72.655 2.960 6.125
2 HG SER 39 HXT SER 39 74.997 1.998 8.079
3 HA SER 39 HB1 SER 39 75.057 4.689 5.597
4 HB3 SER 39 HG3 SER 39 74.160 4.685 7.933
5 HB2 SER 39 HG2 SER 39 75.781 4.003 7.844
No H/Q in entry = 5
Start of MODEL 7
1 H SER 40 H SER 40 77.076 3.490 5.331
2 HG SER 40 HXT SER 40 76.600 -1.162 5.717
3 HA SER 40 HB1 SER 40 78.228 1.906 4.012
4 HB3 SER 40 HG3 SER 40 77.995 0.987 6.390
5 HB2 SER 40 HG2 SER 40 78.343 -0.202 5.142
No H/Q in entry = 5
Start of MODEL 7
1 H VAL 41 H VAL 41 77.036 2.386 2.057
2 HB VAL 41 HG12 VAL 41 73.950 2.187 1.885
3 HG11 VAL 41 HG12 VAL 41 75.785 3.808 1.311
4 HG12 VAL 41 HG13 VAL 41 75.382 3.573 -0.393
5 HG13 VAL 41 HG21 VAL 41 74.196 4.279 0.705
6 HG21 VAL 41 HG22 VAL 41 73.962 1.138 -0.899
7 HG22 VAL 41 HG23 VAL 41 72.660 1.176 0.286
8 HG23 VAL 41 HXT VAL 41 73.052 2.624 -0.637
9 HA VAL 41 HB1 VAL 41 75.238 0.160 1.195
No H/Q in entry = 9
Start of MODEL 7
1 H ARG 42 H ARG 42 75.414 -0.345 -1.048
2 HB2 ARG 42 HG2 ARG 42 78.402 -1.099 -3.290
3 HB3 ARG 42 HG3 ARG 42 78.504 -0.865 -1.547
4 HG2 ARG 42 HD2 ARG 42 76.353 -2.141 -1.307
5 HG3 ARG 42 HD3 ARG 42 76.409 -2.476 -3.038
6 HD2 ARG 42 HD3 ARG 42 77.392 -4.386 -1.917
7 HE ARG 42 HH12 ARG 42 79.442 -2.881 -0.468
8 HH11 ARG 42 HH21 ARG 42 76.136 -4.024 -0.370
9 HH12 ARG 42 HH22 ARG 42 76.077 -4.006 1.358
10 HD3 ARG 42 HXT ARG 42 78.732 -3.475 -2.640
11 HH21 ARG 42 HXT ARG 42 79.318 -2.872 1.764
12 HH22 ARG 42 H1 ARG 42 77.857 -3.361 2.555
13 HA ARG 42 HB1 ARG 42 77.504 1.121 -2.606
No H/Q in entry = 13
Start of MODEL 7
1 H SER 43 H SER 43 77.187 0.998 -4.910
2 HG SER 43 HXT SER 43 76.638 2.750 -7.886
3 HA SER 43 HB1 SER 43 74.446 0.120 -5.742
4 HB3 SER 43 HG3 SER 43 75.202 2.525 -5.962
5 HB2 SER 43 HG2 SER 43 74.707 1.794 -7.484
No H/Q in entry = 5
Start of MODEL 7
1 H PHE 44 H PHE 44 74.248 -1.408 -7.404
2 HD1 PHE 44 HD2 PHE 44 76.062 -5.705 -7.061
3 HD2 PHE 44 HE1 PHE 44 72.668 -3.084 -6.517
4 HE1 PHE 44 HE2 PHE 44 75.649 -6.706 -4.811
5 HE2 PHE 44 HZ PHE 44 72.255 -4.085 -4.268
6 HZ PHE 44 HXT PHE 44 73.746 -5.896 -3.415
7 HA PHE 44 HB1 PHE 44 76.636 -3.073 -7.832
8 HB3 PHE 44 HG3 PHE 44 74.909 -4.511 -8.992
9 HB2 PHE 44 HG2 PHE 44 73.730 -3.260 -8.644
No H/Q in entry = 9
Start of MODEL 7
1 H GLY 45 H GLY 45 74.442 -1.118 -9.880
2 HA2 GLY 45 HA3 GLY 45 75.878 -1.686 -12.335
3 HA3 GLY 45 HXT GLY 45 76.392 -0.167 -11.608
No H/Q in entry = 3
Start of MODEL 7
1 H THR 46 H THR 46 75.472 0.719 -13.662
2 HG1 THR 46 HG21 THR 46 74.951 2.738 -15.552
3 HG21 THR 46 HG22 THR 46 72.977 2.492 -12.068
4 HG22 THR 46 HG23 THR 46 74.502 3.356 -12.275
5 HG23 THR 46 HXT THR 46 72.983 4.132 -12.717
6 HA THR 46 HB1 THR 46 72.474 0.913 -13.600
7 HB THR 46 HG12 THR 46 72.920 3.121 -14.747
No H/Q in entry = 7
Start of MODEL 7
1 H GLU 47 H GLU 47 74.718 -0.820 -15.172
2 HB2 GLU 47 HG2 GLU 47 76.184 -1.796 -16.604
3 HB3 GLU 47 HG3 GLU 47 74.778 -2.831 -16.855
4 HA GLU 47 HB1 GLU 47 74.953 0.032 -17.825
5 HG3 GLU 47 HD3 GLU 47 76.481 -1.546 -19.012
6 HG2 GLU 47 HD2 GLU 47 74.996 -2.446 -19.320
No H/Q in entry = 6
Start of MODEL 7
1 H ASP 48 H ASP 48 72.216 -1.601 -16.329
2 HA ASP 48 HB1 ASP 48 70.970 -2.610 -18.725
3 HB3 ASP 48 HG3 ASP 48 68.939 -2.619 -17.227
4 HB2 ASP 48 HG2 ASP 48 69.884 -1.738 -16.026
No H/Q in entry = 4
Start of MODEL 7
1 H ARG 49 H ARG 49 70.074 0.269 -16.779
2 HB2 ARG 49 HG2 ARG 49 68.822 1.905 -16.173
3 HB3 ARG 49 HG3 ARG 49 68.248 3.207 -17.216
4 HG2 ARG 49 HD2 ARG 49 66.305 1.946 -16.631
5 HG3 ARG 49 HD3 ARG 49 66.695 1.482 -18.287
6 HD2 ARG 49 HD3 ARG 49 67.697 -0.585 -17.568
7 HE ARG 49 HH12 ARG 49 65.019 -0.025 -17.125
8 HH11 ARG 49 HH21 ARG 49 67.366 -2.061 -15.512
9 HH12 ARG 49 HH22 ARG 49 66.167 -3.180 -14.967
10 HD3 ARG 49 HXT ARG 49 67.652 -0.082 -15.867
11 HH21 ARG 49 HXT ARG 49 63.505 -1.500 -16.400
12 HH22 ARG 49 H1 ARG 49 64.005 -2.868 -15.464
13 HA ARG 49 HB1 ARG 49 68.738 1.471 -19.143
No H/Q in entry = 13
Start of MODEL 7
1 H ASP 50 H ASP 50 71.874 1.348 -18.432
2 HA ASP 50 HB1 ASP 50 72.761 3.939 -17.690
3 HB3 ASP 50 HG3 ASP 50 74.150 1.908 -17.663
4 HB2 ASP 50 HG2 ASP 50 74.928 3.162 -18.618
No H/Q in entry = 4
Start of MODEL 7
1 H THR 51 H THR 51 74.149 5.350 -19.189
2 HG1 THR 51 HG21 THR 51 72.839 7.988 -19.768
3 HG21 THR 51 HG22 THR 51 73.236 8.284 -22.303
4 HG22 THR 51 HG23 THR 51 74.446 9.286 -21.501
5 HG23 THR 51 HXT THR 51 74.947 8.064 -22.670
6 HA THR 51 HB1 THR 51 72.615 6.229 -21.522
7 HB THR 51 HG12 THR 51 75.384 7.046 -20.591
No H/Q in entry = 7
Start of MODEL 7
1 H GLN 52 H GLN 52 73.717 6.465 -23.681
2 HB2 GLN 52 HG2 GLN 52 74.717 4.902 -26.736
3 HB3 GLN 52 HG3 GLN 52 73.244 5.239 -25.831
4 HE21 GLN 52 HE22 GLN 52 74.794 8.634 -28.073
5 HE22 GLN 52 HXT GLN 52 73.220 8.654 -28.705
6 HA GLN 52 HB1 GLN 52 74.881 3.913 -24.499
7 HG3 GLN 52 HD3 GLN 52 75.509 7.120 -26.504
8 HG2 GLN 52 HD2 GLN 52 74.389 7.479 -25.192
No H/Q in entry = 8
Start of MODEL 7
1 H PHE 53 H PHE 53 76.325 6.593 -23.067
2 HD1 PHE 53 HD2 PHE 53 76.608 8.035 -25.053
3 HD2 PHE 53 HE1 PHE 53 80.487 9.602 -23.954
4 HE1 PHE 53 HE2 PHE 53 76.575 9.524 -27.055
5 HE2 PHE 53 HZ PHE 53 80.452 11.090 -25.958
6 HZ PHE 53 HXT PHE 53 78.497 11.051 -27.508
7 HA PHE 53 HB1 PHE 53 78.945 6.103 -24.399
8 HB3 PHE 53 HG3 PHE 53 79.513 7.957 -22.633
9 HB2 PHE 53 HG2 PHE 53 77.771 8.112 -22.494
No H/Q in entry = 9
Start of MODEL 7
1 H GLN 54 H GLN 54 80.822 5.775 -22.821
2 HB2 GLN 54 HG2 GLN 54 82.679 5.320 -21.457
3 HB3 GLN 54 HG3 GLN 54 82.757 3.757 -20.642
4 HE21 GLN 54 HE22 GLN 54 84.154 5.030 -24.226
5 HE22 GLN 54 HXT GLN 54 85.621 4.231 -23.927
6 HA GLN 54 HB1 GLN 54 80.339 3.396 -21.263
7 HG3 GLN 54 HD3 GLN 54 82.112 4.222 -23.568
8 HG2 GLN 54 HD2 GLN 54 82.073 2.650 -22.767
No H/Q in entry = 8
Start of MODEL 7
1 H ILE 55 H ILE 55 79.938 3.158 -19.082
2 HB ILE 55 HG12 ILE 55 78.383 3.018 -17.082
3 HG12 ILE 55 HG13 ILE 55 77.638 4.225 -19.094
4 HG13 ILE 55 HG21 ILE 55 76.410 4.330 -17.838
5 HG21 ILE 55 HG22 ILE 55 78.331 5.651 -15.600
6 HG22 ILE 55 HG23 ILE 55 76.973 4.527 -15.553
7 HD11 ILE 55 HD12 ILE 55 77.368 6.581 -17.202
8 HD12 ILE 55 HD13 ILE 55 78.403 6.476 -18.626
9 HG23 ILE 55 HXT ILE 55 78.550 4.030 -14.943
10 HD13 ILE 55 HXT ILE 55 76.651 6.531 -18.812
11 HA ILE 55 HB1 ILE 55 79.917 5.632 -17.380
No H/Q in entry = 11
Start of MODEL 7
1 H ALA 56 H ALA 56 81.151 5.604 -15.509
2 HA ALA 56 HB1 ALA 56 82.945 3.267 -15.103
3 HB1 ALA 56 HB2 ALA 56 82.914 6.081 -13.966
4 HB2 ALA 56 HB3 ALA 56 83.849 5.555 -15.365
5 HB3 ALA 56 HXT ALA 56 84.219 4.912 -13.765
No H/Q in entry = 5
Start of MODEL 7
1 HB2 PRO 57 HG2 PRO 57 81.303 -0.100 -11.038
2 HB3 PRO 57 HG3 PRO 57 80.045 0.095 -12.274
3 HG2 PRO 57 HD2 PRO 57 82.987 -0.144 -12.592
4 HG3 PRO 57 HD3 PRO 57 81.684 -0.779 -13.607
5 HD2 PRO 57 HD3 PRO 57 83.144 1.418 -14.257
6 HD3 PRO 57 HXT PRO 57 81.460 1.179 -14.772
7 HA PRO 57 HB1 PRO 57 80.110 2.313 -11.658
No H/Q in entry = 7
Start of MODEL 7
1 H GLN 58 H GLN 58 80.439 2.572 -9.416
2 HB2 GLN 58 HG2 GLN 58 80.405 3.715 -7.418
3 HB3 GLN 58 HG3 GLN 58 81.868 4.325 -6.645
4 HE21 GLN 58 HE22 GLN 58 78.934 6.175 -8.835
5 HE22 GLN 58 HXT GLN 58 78.842 7.391 -7.653
6 HA GLN 58 HB1 GLN 58 83.181 3.395 -8.599
7 HG3 GLN 58 HD3 GLN 58 80.861 5.093 -9.402
8 HG2 GLN 58 HD2 GLN 58 82.361 5.670 -8.672
No H/Q in entry = 8
Start of MODEL 7
1 H SER 59 H SER 59 84.388 1.769 -7.708
2 HG SER 59 HXT SER 59 86.472 1.180 -7.157
3 HA SER 59 HB1 SER 59 83.201 -0.604 -6.478
4 HB3 SER 59 HG3 SER 59 85.339 -0.507 -7.792
5 HB2 SER 59 HG2 SER 59 85.538 -1.246 -6.205
No H/Q in entry = 5
Start of MODEL 7
1 H GLN 60 H GLN 60 84.522 2.457 -5.327
2 HB2 GLN 60 HG2 GLN 60 84.161 4.354 -3.951
3 HB3 GLN 60 HG3 GLN 60 84.751 4.265 -2.290
4 HE21 GLN 60 HE22 GLN 60 87.769 5.053 -5.483
5 HE22 GLN 60 HXT GLN 60 87.840 6.605 -4.799
6 HA GLN 60 HB1 GLN 60 85.019 1.778 -2.594
7 HG3 GLN 60 HD3 GLN 60 86.279 3.433 -4.774
8 HG2 GLN 60 HD2 GLN 60 86.866 3.254 -3.120
No H/Q in entry = 8
Start of MODEL 7
1 H ILE 61 H ILE 61 83.685 2.044 -0.724
2 HB ILE 61 HG12 ILE 61 82.455 1.424 1.286
3 HG12 ILE 61 HG13 ILE 61 83.173 -0.166 -0.456
4 HG13 ILE 61 HG21 ILE 61 82.331 -1.012 0.838
5 HG21 ILE 61 HG22 ILE 61 79.587 0.795 0.612
6 HG22 ILE 61 HG23 ILE 61 80.431 -0.094 1.880
7 HD11 ILE 61 HD12 ILE 61 80.252 -0.996 -0.522
8 HD12 ILE 61 HD13 ILE 61 81.126 -0.192 -1.827
9 HG23 ILE 61 HXT ILE 61 80.231 1.653 2.011
10 HD13 ILE 61 HXT ILE 61 81.567 -1.832 -1.350
11 HA ILE 61 HB1 ILE 61 80.768 1.726 -1.225
No H/Q in entry = 11
Start of MODEL 7
1 H TYR 62 H TYR 62 79.242 3.183 -0.338
2 HD1 TYR 62 HD2 TYR 62 80.017 4.715 -2.262
3 HD2 TYR 62 HE1 TYR 62 77.491 8.029 -1.111
4 HE1 TYR 62 HE2 TYR 62 80.674 5.936 -4.338
5 HE2 TYR 62 HH TYR 62 78.147 9.250 -3.187
6 HH TYR 62 HXT TYR 62 79.617 7.788 -5.801
7 HA TYR 62 HB1 TYR 62 80.306 5.840 0.467
8 HB3 TYR 62 HG3 TYR 62 77.672 6.190 0.302
9 HB2 TYR 62 HG2 TYR 62 77.757 4.672 -0.571
No H/Q in entry = 9
Start of MODEL 7
1 H ASP 63 H ASP 63 80.636 6.080 2.640
2 HA ASP 63 HB1 ASP 63 79.681 4.569 4.792
3 HB3 ASP 63 HG3 ASP 63 81.450 6.252 4.916
4 HB2 ASP 63 HG2 ASP 63 80.220 6.592 6.130
No H/Q in entry = 4
Start of MODEL 7
1 H TYR 64 H TYR 64 78.076 7.355 3.240
2 HD1 TYR 64 HD2 TYR 64 74.248 9.880 4.115
3 HD2 TYR 64 HE1 TYR 64 75.544 8.224 7.895
4 HE1 TYR 64 HE2 TYR 64 72.137 10.659 5.180
5 HE2 TYR 64 HH TYR 64 73.429 9.007 8.956
6 HH TYR 64 HXT TYR 64 71.098 9.583 8.224
7 HA TYR 64 HB1 TYR 64 75.516 6.670 4.578
8 HB3 TYR 64 HG3 TYR 64 76.834 9.381 4.851
9 HB2 TYR 64 HG2 TYR 64 76.972 8.129 6.067
No H/Q in entry = 9
Start of MODEL 7
1 H ILE 65 H ILE 65 73.928 6.958 3.069
2 HB ILE 65 HG12 ILE 65 73.108 6.465 0.645
3 HG12 ILE 65 HG13 ILE 65 75.525 7.924 -0.485
4 HG13 ILE 65 HG21 ILE 65 75.592 6.648 0.729
5 HG21 ILE 65 HG22 ILE 65 73.285 8.904 -1.160
6 HG22 ILE 65 HG23 ILE 65 72.894 7.277 -1.720
7 HD11 ILE 65 HD12 ILE 65 74.174 5.323 -1.104
8 HD12 ILE 65 HD13 ILE 65 74.973 6.457 -2.192
9 HG23 ILE 65 HXT ILE 65 71.808 8.113 -0.609
10 HD13 ILE 65 HXT ILE 65 75.934 5.382 -1.179
11 HA ILE 65 HB1 ILE 65 74.193 9.262 1.156
No H/Q in entry = 11
Start of MODEL 7
1 H LEU 66 H LEU 66 72.498 10.654 1.316
2 HD11 LEU 66 HD12 LEU 66 69.946 11.848 4.853
3 HD12 LEU 66 HD13 LEU 66 68.327 12.551 4.842
4 HD13 LEU 66 HD21 LEU 66 68.585 10.920 4.220
5 HD21 LEU 66 HD22 LEU 66 69.604 14.409 2.029
6 HD22 LEU 66 HD23 LEU 66 68.353 14.388 3.272
7 HG LEU 66 HXT LEU 66 68.474 12.180 2.249
8 HD23 LEU 66 HXT LEU 66 70.054 14.306 3.731
9 HA LEU 66 HB1 LEU 66 70.096 9.922 2.886
10 HB3 LEU 66 HG3 LEU 66 70.880 12.505 1.493
11 HB2 LEU 66 HG2 LEU 66 71.371 12.078 3.133
No H/Q in entry = 11
Start of MODEL 7
1 H PHE 67 H PHE 67 68.066 9.610 1.964
2 HD1 PHE 67 HD2 PHE 67 68.160 8.845 -2.698
3 HD2 PHE 67 HE1 PHE 67 69.109 5.817 0.238
4 HE1 PHE 67 HE2 PHE 67 69.879 7.897 -4.224
5 HE2 PHE 67 HZ PHE 67 70.846 4.882 -1.288
6 HZ PHE 67 HXT PHE 67 71.232 5.921 -3.524
7 HA PHE 67 HB1 PHE 67 67.811 9.912 -1.004
8 HB3 PHE 67 HG3 PHE 67 66.483 7.621 -0.563
9 HB2 PHE 67 HG2 PHE 67 67.604 7.530 0.780
No H/Q in entry = 9
Start of MODEL 7
1 H ARG 68 H ARG 68 65.950 11.010 -1.489
2 HB2 ARG 68 HG2 ARG 68 64.260 12.388 -2.262
3 HB3 ARG 68 HG3 ARG 68 62.855 12.775 -1.271
4 HG2 ARG 68 HD2 ARG 68 64.362 13.574 0.530
5 HG3 ARG 68 HD3 ARG 68 65.752 13.233 -0.501
6 HD2 ARG 68 HD3 ARG 68 65.239 15.595 -0.736
7 HE ARG 68 HH12 ARG 68 62.471 15.218 -1.610
8 HH11 ARG 68 HH21 ARG 68 64.564 15.575 1.172
9 HH12 ARG 68 HH22 ARG 68 63.296 16.189 2.172
10 HD3 ARG 68 HXT ARG 68 64.709 14.795 -2.229
11 HH21 ARG 68 HXT ARG 68 60.861 16.015 -0.278
12 HH22 ARG 68 H1 ARG 68 61.222 16.435 1.363
13 HA ARG 68 HB1 ARG 68 63.760 11.221 0.494
No H/Q in entry = 13
Start of MODEL 7
1 H GLY 69 H GLY 69 61.666 10.355 0.137
2 HA2 GLY 69 HA3 GLY 69 60.057 8.866 -0.696
3 HA3 GLY 69 HXT GLY 69 61.414 7.900 -1.270
No H/Q in entry = 3
Start of MODEL 7
1 H SER 70 H SER 70 61.021 11.196 -2.384
2 HG SER 70 HXT SER 70 60.067 13.796 -2.967
3 HA SER 70 HB1 SER 70 59.348 10.709 -4.671
4 HB3 SER 70 HG3 SER 70 60.127 12.936 -5.341
5 HB2 SER 70 HG2 SER 70 61.475 12.823 -4.213
No H/Q in entry = 5
Start of MODEL 7
1 H ASP 71 H ASP 71 62.889 10.616 -4.240
2 HA ASP 71 HB1 ASP 71 63.369 10.359 -7.128
3 HB3 ASP 71 HG3 ASP 71 64.887 11.601 -5.631
4 HB2 ASP 71 HG2 ASP 71 65.734 10.266 -6.405
No H/Q in entry = 4
Start of MODEL 7
1 H ILE 72 H ILE 72 63.253 8.183 -4.331
2 HB ILE 72 HG12 ILE 72 63.959 6.434 -3.167
3 HG12 ILE 72 HG13 ILE 72 66.018 4.927 -4.740
4 HG13 ILE 72 HG21 ILE 72 65.858 6.659 -5.025
5 HG21 ILE 72 HG22 ILE 72 64.037 3.675 -4.436
6 HG22 ILE 72 HG23 ILE 72 64.450 4.030 -2.760
7 HD11 ILE 72 HD12 ILE 72 66.115 5.519 -2.246
8 HD12 ILE 72 HD13 ILE 72 67.526 5.946 -3.218
9 HG23 ILE 72 HXT ILE 72 62.799 4.267 -3.330
10 HD13 ILE 72 HXT ILE 72 66.352 7.185 -2.767
11 HA ILE 72 HB1 ILE 72 63.907 5.885 -6.123
No H/Q in entry = 11
Start of MODEL 7
1 H LYS 73 H LYS 73 62.447 4.152 -6.378
2 HB2 LYS 73 HG2 LYS 73 60.767 4.758 -8.351
3 HB3 LYS 73 HG3 LYS 73 60.848 3.035 -7.979
4 HG2 LYS 73 HG3 LYS 73 58.377 2.997 -7.722
5 HG3 LYS 73 HD2 LYS 73 58.321 4.702 -8.169
6 HD2 LYS 73 HD3 LYS 73 59.449 4.107 -10.332
7 HE2 LYS 73 HE3 LYS 73 56.948 2.439 -10.069
8 HE3 LYS 73 HZ1 LYS 73 56.868 4.203 -9.894
9 HZ1 LYS 73 HZ2 LYS 73 58.057 4.428 -11.990
10 HZ2 LYS 73 HZ3 LYS 73 58.105 2.739 -12.168
11 HD3 LYS 73 HXT LYS 73 59.295 2.406 -9.891
12 HZ3 LYS 73 HXT LYS 73 56.618 3.560 -12.215
13 HA LYS 73 HB1 LYS 73 59.626 5.091 -6.119
No H/Q in entry = 13
Start of MODEL 7
1 H ASP 74 H ASP 74 61.774 2.433 -5.213
2 HA ASP 74 HB1 ASP 74 59.502 1.175 -3.767
3 HB3 ASP 74 HG3 ASP 74 61.166 -0.393 -5.754
4 HB2 ASP 74 HG2 ASP 74 59.613 0.331 -6.172
No H/Q in entry = 4
Start of MODEL 7
1 H ILE 75 H ILE 75 60.167 0.311 -1.870
2 HB ILE 75 HG12 ILE 75 62.559 1.761 -0.569
3 HG12 ILE 75 HG13 ILE 75 62.806 -0.252 1.675
4 HG13 ILE 75 HG21 ILE 75 64.119 0.058 0.538
5 HG21 ILE 75 HG22 ILE 75 60.522 0.263 1.109
6 HG22 ILE 75 HG23 ILE 75 60.985 1.951 1.325
7 HD11 ILE 75 HD12 ILE 75 63.684 2.576 1.153
8 HD12 ILE 75 HD13 ILE 75 62.920 1.897 2.590
9 HG23 ILE 75 HXT ILE 75 60.151 1.448 -0.145
10 HD13 ILE 75 HXT ILE 75 64.619 1.563 2.253
11 HA ILE 75 HB1 ILE 75 63.043 -0.467 -1.550
No H/Q in entry = 11
Start of MODEL 7
1 H ARG 76 H ARG 76 63.339 -2.403 -0.411
2 HB2 ARG 76 HG2 ARG 76 62.506 -4.797 -1.343
3 HB3 ARG 76 HG3 ARG 76 61.421 -5.726 -0.309
4 HG2 ARG 76 HD2 ARG 76 59.627 -4.007 -0.824
5 HG3 ARG 76 HD3 ARG 76 60.717 -3.346 -2.042
6 HD2 ARG 76 HD3 ARG 76 60.832 -5.643 -3.087
7 HE ARG 76 HH12 ARG 76 59.208 -4.374 -4.259
8 HH11 ARG 76 HH21 ARG 76 58.000 -5.216 -1.083
9 HH12 ARG 76 HH22 ARG 76 56.419 -4.601 -1.415
10 HD3 ARG 76 HXT ARG 76 59.554 -6.150 -1.967
11 HH21 ARG 76 HXT ARG 76 57.150 -3.590 -4.639
12 HH22 ARG 76 H1 ARG 76 55.941 -3.689 -3.403
13 HA ARG 76 HB1 ARG 76 61.030 -3.614 1.028
No H/Q in entry = 13
Start of MODEL 7
1 H VAL 77 H VAL 77 61.695 -4.922 2.733
2 HB VAL 77 HG12 VAL 77 62.117 -6.004 4.851
3 HG11 VAL 77 HG12 VAL 77 64.925 -5.396 5.831
4 HG12 VAL 77 HG13 VAL 77 63.569 -5.845 6.866
5 HG13 VAL 77 HG21 VAL 77 64.197 -6.997 5.688
6 HG21 VAL 77 HG22 VAL 77 63.471 -3.312 4.796
7 HG22 VAL 77 HG23 VAL 77 61.750 -3.685 4.704
8 HG23 VAL 77 HXT VAL 77 62.606 -3.840 6.239
9 HA VAL 77 HB1 VAL 77 64.571 -4.924 3.412
No H/Q in entry = 9
Start of MODEL 7
1 H VAL 78 H VAL 78 65.835 -6.835 3.613
2 HB VAL 78 HG12 VAL 78 67.109 -8.130 1.602
3 HG11 VAL 78 HG12 VAL 78 67.220 -10.600 1.700
4 HG12 VAL 78 HG13 VAL 78 65.676 -10.700 0.851
5 HG13 VAL 78 HG21 VAL 78 67.092 -10.035 0.034
6 HG21 VAL 78 HG22 VAL 78 64.301 -8.471 0.524
7 HG22 VAL 78 HG23 VAL 78 65.241 -6.984 0.657
8 HG23 VAL 78 HXT VAL 78 65.683 -8.205 -0.537
9 HA VAL 78 HB1 VAL 78 64.588 -9.408 2.737
No H/Q in entry = 9
Start of MODEL 7
1 H ASN 79 H ASN 79 65.361 -11.137 3.903
2 HD21 ASN 79 HD22 ASN 79 66.076 -13.082 8.388
3 HD22 ASN 79 HXT ASN 79 67.475 -12.785 9.302
4 HA ASN 79 HB1 ASN 79 67.953 -10.870 5.363
5 HB3 ASN 79 HG3 ASN 79 65.388 -11.855 6.637
6 HB2 ASN 79 HG2 ASN 79 65.902 -10.170 6.726
No H/Q in entry = 6
Start of MODEL 7
1 H ASN 80 H ASN 80 68.948 -12.522 4.157
2 HD21 ASN 80 HD22 ASN 80 66.244 -15.666 2.896
3 HD22 ASN 80 HXT ASN 80 65.275 -14.724 1.869
4 HA ASN 80 HB1 ASN 80 67.666 -15.237 4.304
5 HB3 ASN 80 HG3 ASN 80 68.870 -15.603 2.109
6 HB2 ASN 80 HG2 ASN 80 69.305 -13.894 2.132
No H/Q in entry = 6
Start of MODEL 7
1 H HIS 81 H HIS 81 68.840 -16.189 5.964
2 HD1 HIS 81 HD2 HIS 81 70.428 -18.634 9.142
3 HD2 HIS 81 HE1 HIS 81 67.872 -15.537 8.019
4 HE1 HIS 81 HE2 HIS 81 68.128 -19.256 9.999
5 HA HIS 81 HB1 HIS 81 71.828 -15.971 5.880
6 HB3 HIS 81 HG3 HIS 81 70.740 -15.150 7.901
7 HB2 HIS 81 HG2 HIS 81 71.666 -16.593 8.264
No H/Q in entry = 7
Start of MODEL 7
1 H THR 82 H THR 82 69.114 -18.211 5.778
2 HG1 THR 82 HG21 THR 82 67.859 -20.204 3.924
3 HG21 THR 82 HG22 THR 82 69.068 -20.591 7.759
4 HG22 THR 82 HG23 THR 82 67.757 -19.519 7.267
5 HG23 THR 82 HXT THR 82 67.478 -21.256 7.384
6 HA THR 82 HB1 THR 82 70.710 -20.632 6.140
7 HB THR 82 HG12 THR 82 68.566 -21.703 5.394
No H/Q in entry = 7
Start of MODEL 7
1 H LEU 83 H LEU 83 70.990 -22.253 4.392
2 HD11 LEU 83 HD12 LEU 83 73.429 -20.558 0.949
3 HD12 LEU 83 HD13 LEU 83 75.007 -21.272 1.279
4 HD13 LEU 83 HD21 LEU 83 74.308 -21.386 -0.336
5 HD21 LEU 83 HD22 LEU 83 74.011 -24.708 1.567
6 HD22 LEU 83 HD23 LEU 83 74.842 -24.005 0.179
7 HG LEU 83 HXT LEU 83 72.665 -22.949 0.368
8 HD23 LEU 83 HXT LEU 83 75.274 -23.502 1.813
9 HA LEU 83 HB1 LEU 83 71.501 -20.957 1.741
10 HB3 LEU 83 HG3 LEU 83 72.605 -23.526 2.913
11 HB2 LEU 83 HG2 LEU 83 73.373 -21.951 3.119
No H/Q in entry = 11
Start of MODEL 7
1 HB2 PRO 84 HG2 PRO 84 67.700 -22.638 -1.920
2 HB3 PRO 84 HG3 PRO 84 66.973 -21.904 -0.478
3 HG2 PRO 84 HD2 PRO 84 69.416 -21.118 -1.971
4 HG3 PRO 84 HD3 PRO 84 68.197 -20.106 -1.182
5 HD2 PRO 84 HD3 PRO 84 70.644 -20.615 -0.107
6 HD3 PRO 84 HXT PRO 84 69.200 -20.269 0.868
7 HA PRO 84 HB1 PRO 84 67.994 -23.648 0.629
No H/Q in entry = 7
Start of MODEL 8
1 H1 GLY -3 H1 GLY -3 60.408 9.295 36.104
2 H2 GLY -3 H2 GLY -3 61.079 7.858 36.713
3 H3 GLY -3 H3 GLY -3 61.589 9.362 37.319
4 HA2 GLY -3 HA3 GLY -3 63.225 8.409 35.794
5 HA3 GLY -3 HXT GLY -3 62.572 9.940 35.209
No H/Q in entry = 5
Start of MODEL 8
1 H ALA -2 H ALA -2 61.006 9.878 33.483
2 HA ALA -2 HB1 ALA -2 60.647 7.247 32.112
3 HB1 ALA -2 HB2 ALA -2 58.739 8.317 31.093
4 HB2 ALA -2 HB3 ALA -2 58.714 8.748 32.803
5 HB3 ALA -2 HXT ALA -2 59.291 9.911 31.609
No H/Q in entry = 5
Start of MODEL 8
1 H MET -1 H MET -1 61.329 6.986 29.958
2 HB2 MET -1 HG2 MET -1 63.258 6.179 28.734
3 HB3 MET -1 HG3 MET -1 64.273 7.267 27.788
4 HE1 MET -1 HE2 MET -1 66.573 7.202 28.252
5 HE2 MET -1 HE3 MET -1 66.136 8.651 27.349
6 HE3 MET -1 HXT MET -1 67.586 8.649 28.350
7 HA MET -1 HB1 MET -1 63.004 9.203 28.813
8 HG3 MET -1 HD3 MET -1 65.263 6.517 30.009
9 HG2 MET -1 HD2 MET -1 64.008 7.472 30.797
No H/Q in entry = 9
Start of MODEL 8
1 H ALA 0 H ALA 0 62.794 9.581 26.560
2 HA ALA 0 HB1 ALA 0 60.292 8.552 25.326
3 HB1 ALA 0 HB2 ALA 0 60.427 10.872 25.137
4 HB2 ALA 0 HB3 ALA 0 61.149 10.382 23.605
5 HB3 ALA 0 HXT ALA 0 62.181 10.854 24.955
No H/Q in entry = 5
Start of MODEL 8
1 H MET 1 H MET 1 60.583 6.650 24.213
2 HB2 MET 1 HG2 MET 1 61.827 4.406 24.265
3 HB3 MET 1 HG3 MET 1 62.995 4.038 22.994
4 HE1 MET 1 HE2 MET 1 65.496 3.980 23.194
5 HE2 MET 1 HE3 MET 1 66.338 2.828 24.227
6 HE3 MET 1 HXT MET 1 64.782 2.395 23.525
7 HA MET 1 HB1 MET 1 62.897 6.471 22.316
8 HG3 MET 1 HD3 MET 1 63.364 5.981 25.291
9 HG2 MET 1 HD2 MET 1 64.498 5.808 23.952
No H/Q in entry = 9
Start of MODEL 8
1 H SER 2 H SER 2 62.456 5.049 20.472
2 HG SER 2 HXT SER 2 59.229 5.821 17.276
3 HA SER 2 HB1 SER 2 59.527 4.604 19.966
4 HB3 SER 2 HG3 SER 2 61.770 5.291 18.036
5 HB2 SER 2 HG2 SER 2 60.617 6.452 18.687
No H/Q in entry = 5
Start of MODEL 8
1 H GLY 3 H GLY 3 58.956 2.584 19.142
2 HA2 GLY 3 HA3 GLY 3 59.781 0.192 19.556
3 HA3 GLY 3 HXT GLY 3 61.175 0.654 18.578
No H/Q in entry = 3
Start of MODEL 8
1 H GLY 4 H GLY 4 61.002 0.471 16.372
2 HA2 GLY 4 HA3 GLY 4 59.913 0.343 14.252
3 HA3 GLY 4 HXT GLY 4 58.354 0.369 15.078
No H/Q in entry = 3
Start of MODEL 8
1 H LEU 5 H LEU 5 58.351 -1.460 13.213
2 HD11 LEU 5 HD12 LEU 5 55.659 -1.931 13.104
3 HD12 LEU 5 HD13 LEU 5 54.581 -2.831 14.168
4 HD13 LEU 5 HD21 LEU 5 56.195 -2.387 14.720
5 HD21 LEU 5 HD22 LEU 5 55.285 -4.038 11.353
6 HD22 LEU 5 HD23 LEU 5 55.395 -5.621 12.121
7 HG LEU 5 HXT LEU 5 56.286 -4.713 14.122
8 HD23 LEU 5 HXT LEU 5 54.171 -4.467 12.649
9 HA LEU 5 HB1 LEU 5 58.285 -4.011 14.640
10 HB3 LEU 5 HG3 LEU 5 57.770 -4.601 12.027
11 HB2 LEU 5 HG2 LEU 5 57.446 -2.868 12.026
No H/Q in entry = 11
Start of MODEL 8
1 HB2 PRO 6 HG2 PRO 6 62.925 -3.352 10.035
2 HB3 PRO 6 HG3 PRO 6 61.509 -4.278 9.499
3 HG2 PRO 6 HD2 PRO 6 61.669 -1.510 10.552
4 HG3 PRO 6 HD3 PRO 6 60.615 -2.187 9.303
5 HD2 PRO 6 HD3 PRO 6 59.819 -1.663 11.865
6 HD3 PRO 6 HXT PRO 6 59.055 -2.872 10.812
7 HA PRO 6 HB1 PRO 6 61.708 -5.280 11.568
No H/Q in entry = 7
Start of MODEL 8
1 H GLU 7 H GLU 7 63.727 -5.595 12.476
2 HB2 GLU 7 HG2 GLU 7 65.989 -6.083 12.910
3 HB3 GLU 7 HG3 GLU 7 66.694 -5.459 14.401
4 HA GLU 7 HB1 GLU 7 64.674 -3.971 14.646
5 HG3 GLU 7 HD3 GLU 7 64.028 -6.880 14.134
6 HG2 GLU 7 HD2 GLU 7 64.639 -6.168 15.627
No H/Q in entry = 6
Start of MODEL 8
1 H LEU 8 H LEU 8 66.219 -2.333 14.698
2 HD11 LEU 8 HD12 LEU 8 67.529 1.747 15.917
3 HD12 LEU 8 HD13 LEU 8 65.815 1.686 16.329
4 HD13 LEU 8 HD21 LEU 8 66.891 0.384 16.837
5 HD21 LEU 8 HD22 LEU 8 66.808 1.827 13.247
6 HD22 LEU 8 HD23 LEU 8 65.391 0.833 12.911
7 HG LEU 8 HXT LEU 8 65.610 -0.377 14.915
8 HD23 LEU 8 HXT LEU 8 65.309 2.101 14.134
9 HA LEU 8 HB1 LEU 8 66.806 -0.786 12.353
10 HB3 LEU 8 HG3 LEU 8 68.376 0.370 13.935
11 HB2 LEU 8 HG2 LEU 8 68.087 -0.920 15.102
No H/Q in entry = 11
Start of MODEL 8
1 H GLY 9 H GLY 9 68.836 -0.534 11.236
2 HA2 GLY 9 HA3 GLY 9 71.125 -2.241 11.823
3 HA3 GLY 9 HXT GLY 9 70.969 -1.124 10.485
No H/Q in entry = 3
Start of MODEL 8
1 H SER 10 H SER 10 68.234 -3.011 10.318
2 HG SER 10 HXT SER 10 65.931 -5.710 10.111
3 HA SER 10 HB1 SER 10 69.137 -5.480 9.197
4 HB3 SER 10 HG3 SER 10 66.828 -5.432 8.157
5 HB2 SER 10 HG2 SER 10 66.659 -3.789 8.771
No H/Q in entry = 5
Start of MODEL 8
1 H LYS 11 H LYS 11 69.301 -6.099 6.941
2 HB2 LYS 11 HG2 LYS 11 70.947 -5.934 3.759
3 HB3 LYS 11 HG3 LYS 11 71.328 -6.352 5.426
4 HG2 LYS 11 HG3 LYS 11 69.061 -7.465 5.580
5 HG3 LYS 11 HD2 LYS 11 68.876 -7.188 3.850
6 HD2 LYS 11 HD3 LYS 11 71.082 -8.405 3.532
7 HE2 LYS 11 HE3 LYS 11 68.561 -9.696 4.571
8 HE3 LYS 11 HZ1 LYS 11 69.234 -9.718 2.928
9 HZ1 LYS 11 HZ2 LYS 11 70.481 -10.990 5.309
10 HZ2 LYS 11 HZ3 LYS 11 69.641 -11.819 4.090
11 HD3 LYS 11 HXT LYS 11 70.975 -8.872 5.230
12 HZ3 LYS 11 HXT LYS 11 71.095 -11.018 3.725
13 HA LYS 11 HB1 LYS 11 70.439 -4.026 5.204
No H/Q in entry = 13
Start of MODEL 8
1 H ILE 12 H ILE 12 69.306 -2.875 3.701
2 HB ILE 12 HG12 ILE 12 67.590 -1.059 3.278
3 HG12 ILE 12 HG13 ILE 12 65.495 -2.635 4.805
4 HG13 ILE 12 HG21 ILE 12 67.167 -2.476 5.341
5 HG21 ILE 12 HG22 ILE 12 65.908 -1.296 1.447
6 HG22 ILE 12 HG23 ILE 12 64.820 -2.093 2.583
7 HD11 ILE 12 HD12 ILE 12 66.906 0.003 5.314
8 HD12 ILE 12 HD13 ILE 12 65.209 -0.206 4.884
9 HG23 ILE 12 HXT ILE 12 65.272 -0.406 2.832
10 HD13 ILE 12 HXT ILE 12 65.800 -0.778 6.444
11 HA ILE 12 HB1 ILE 12 66.620 -3.908 2.838
No H/Q in entry = 11
Start of MODEL 8
1 H SER 13 H SER 13 66.207 -3.873 0.640
2 HG SER 13 HXT SER 13 67.336 -5.365 -3.455
3 HA SER 13 HB1 SER 13 68.400 -3.001 -1.187
4 HB3 SER 13 HG3 SER 13 65.917 -4.691 -1.649
5 HB2 SER 13 HG2 SER 13 67.506 -5.339 -1.256
No H/Q in entry = 5
Start of MODEL 8
1 H LEU 14 H LEU 14 67.992 -1.390 -2.732
2 HD11 LEU 14 HD12 LEU 14 65.377 1.670 -0.103
3 HD12 LEU 14 HD13 LEU 14 64.569 3.079 -0.790
4 HD13 LEU 14 HD21 LEU 14 64.366 1.496 -1.538
5 HD21 LEU 14 HD22 LEU 14 67.807 3.132 -0.585
6 HD22 LEU 14 HD23 LEU 14 67.654 4.048 -2.085
7 HG LEU 14 HXT LEU 14 65.944 2.693 -2.897
8 HD23 LEU 14 HXT LEU 14 66.458 4.245 -0.804
9 HA LEU 14 HB1 LEU 14 65.363 0.033 -2.529
10 HB3 LEU 14 HG3 LEU 14 68.067 1.385 -2.486
11 HB2 LEU 14 HG2 LEU 14 67.335 0.779 -1.001
No H/Q in entry = 11
Start of MODEL 8
1 H ILE 15 H ILE 15 64.598 0.418 -4.578
2 HB ILE 15 HG12 ILE 15 63.518 -0.010 -6.721
3 HG12 ILE 15 HG13 ILE 15 65.678 -2.064 -7.275
4 HG13 ILE 15 HG21 ILE 15 65.009 -1.795 -5.667
5 HG21 ILE 15 HG22 ILE 15 65.476 -0.395 -9.011
6 HG22 ILE 15 HG23 ILE 15 63.765 -0.824 -9.050
7 HD11 ILE 15 HD12 ILE 15 62.720 -2.217 -6.622
8 HD12 ILE 15 HD13 ILE 15 63.494 -2.664 -8.143
9 HG23 ILE 15 HXT ILE 15 64.248 0.867 -8.906
10 HD13 ILE 15 HXT ILE 15 63.787 -3.620 -6.690
11 HA ILE 15 HB1 ILE 15 66.535 0.395 -6.866
No H/Q in entry = 11
Start of MODEL 8
1 H SER 16 H SER 16 67.026 2.401 -7.638
2 HG SER 16 HXT SER 16 68.042 5.565 -5.869
3 HA SER 16 HB1 SER 16 65.339 4.734 -6.950
4 HB3 SER 16 HG3 SER 16 67.332 5.957 -7.797
5 HB2 SER 16 HG2 SER 16 68.044 4.420 -8.275
No H/Q in entry = 5
Start of MODEL 8
1 H LYS 17 H LYS 17 64.808 6.340 -8.630
2 HB2 LYS 17 HG2 LYS 17 63.175 7.572 -9.582
3 HB3 LYS 17 HG3 LYS 17 64.516 8.011 -10.640
4 HG2 LYS 17 HG3 LYS 17 63.105 7.463 -12.613
5 HG3 LYS 17 HD2 LYS 17 61.760 7.108 -11.529
6 HD2 LYS 17 HD3 LYS 17 61.940 9.442 -10.631
7 HE2 LYS 17 HE3 LYS 17 61.607 9.484 -13.645
8 HE3 LYS 17 HZ1 LYS 17 60.407 8.735 -12.572
9 HZ1 LYS 17 HZ2 LYS 17 61.444 11.508 -12.300
10 HZ2 LYS 17 HZ3 LYS 17 59.933 11.099 -12.960
11 HD3 LYS 17 HXT LYS 17 63.163 9.775 -11.856
12 HZ3 LYS 17 HXT LYS 17 60.257 10.781 -11.327
13 HA LYS 17 HB1 LYS 17 63.177 5.297 -10.665
No H/Q in entry = 13
Start of MODEL 8
1 H ALA 18 H ALA 18 66.626 5.644 -10.810
2 HA ALA 18 HB1 ALA 18 66.727 5.840 -13.755
3 HB1 ALA 18 HB2 ALA 18 69.259 5.567 -13.075
4 HB2 ALA 18 HB3 ALA 18 68.420 7.065 -12.672
5 HB3 ALA 18 HXT ALA 18 68.654 5.824 -11.436
No H/Q in entry = 5
Start of MODEL 8
1 H ASP 19 H ASP 19 65.624 3.395 -12.190
2 HA ASP 19 HB1 ASP 19 65.795 1.052 -12.165
3 HB3 ASP 19 HG3 ASP 19 66.679 0.127 -14.331
4 HB2 ASP 19 HG2 ASP 19 67.195 1.754 -14.767
No H/Q in entry = 4
Start of MODEL 8
1 H ILE 20 H ILE 20 67.861 2.616 -10.809
2 HB ILE 20 HG12 ILE 20 69.783 3.403 -9.473
3 HG12 ILE 20 HG13 ILE 20 71.231 3.169 -12.130
4 HG13 ILE 20 HG21 ILE 20 69.579 3.752 -11.960
5 HG21 ILE 20 HG22 ILE 20 71.664 2.009 -8.676
6 HG22 ILE 20 HG23 ILE 20 72.366 2.031 -10.294
7 HD11 ILE 20 HD12 ILE 20 70.451 5.502 -10.357
8 HD12 ILE 20 HD13 ILE 20 72.082 4.999 -10.798
9 HG23 ILE 20 HXT ILE 20 72.249 3.524 -9.362
10 HD13 ILE 20 HXT ILE 20 71.012 5.690 -12.017
11 HA ILE 20 HB1 ILE 20 70.304 0.917 -11.148
No H/Q in entry = 11
Start of MODEL 8
1 H ARG 21 H ARG 21 70.964 -0.458 -9.457
2 HB2 ARG 21 HG2 ARG 21 69.563 -2.684 -8.876
3 HB3 ARG 21 HG3 ARG 21 71.205 -2.652 -8.234
4 HG2 ARG 21 HD2 ARG 21 70.278 -3.087 -5.955
5 HG3 ARG 21 HD3 ARG 21 68.675 -3.243 -6.673
6 HD2 ARG 21 HD3 ARG 21 71.044 -4.932 -7.541
7 HE ARG 21 HH12 ARG 21 68.594 -4.469 -8.766
8 HH11 ARG 21 HH21 ARG 21 70.074 -7.260 -7.258
9 HH12 ARG 21 HH22 ARG 21 69.214 -8.378 -8.257
10 HD3 ARG 21 HXT ARG 21 69.859 -5.457 -6.331
11 HH21 ARG 21 HXT ARG 21 67.506 -5.952 -10.034
12 HH22 ARG 21 H1 ARG 21 67.776 -7.648 -9.812
13 HA ARG 21 HB1 ARG 21 68.981 -0.834 -7.248
No H/Q in entry = 13
Start of MODEL 8
1 H TYR 22 H TYR 22 69.584 0.093 -5.363
2 HD1 TYR 22 HD2 TYR 22 73.548 2.968 -4.237
3 HD2 TYR 22 HE1 TYR 22 69.617 2.639 -6.013
4 HE1 TYR 22 HE2 TYR 22 74.193 4.636 -5.975
5 HE2 TYR 22 HH TYR 22 70.265 4.312 -7.760
6 HH TYR 22 HXT TYR 22 72.505 6.384 -7.577
7 HA TYR 22 HB1 TYR 22 72.477 0.112 -4.578
8 HB3 TYR 22 HG3 TYR 22 71.678 1.929 -3.030
9 HB2 TYR 22 HG2 TYR 22 70.092 1.788 -3.755
No H/Q in entry = 9
Start of MODEL 8
1 H GLU 23 H GLU 23 72.968 -0.756 -2.497
2 HB2 GLU 23 HG2 GLU 23 73.097 -3.279 -1.787
3 HB3 GLU 23 HG3 GLU 23 72.019 -3.847 -0.511
4 HA GLU 23 HB1 GLU 23 70.678 -1.722 -0.824
5 HG3 GLU 23 HD3 GLU 23 71.298 -3.279 -3.397
6 HG2 GLU 23 HD2 GLU 23 70.102 -3.588 -2.139
No H/Q in entry = 6
Start of MODEL 8
1 H GLY 24 H GLY 24 71.098 -1.516 1.404
2 HA2 GLY 24 HA3 GLY 24 72.861 0.451 2.292
3 HA3 GLY 24 HXT GLY 24 73.781 -1.045 2.437
No H/Q in entry = 3
Start of MODEL 8
1 H ARG 25 H ARG 25 73.628 -0.206 4.782
2 HB2 ARG 25 HG2 ARG 25 73.920 -0.080 7.048
3 HB3 ARG 25 HG3 ARG 25 72.923 -1.008 8.170
4 HG2 ARG 25 HD2 ARG 25 73.458 -3.072 6.852
5 HG3 ARG 25 HD3 ARG 25 74.569 -2.110 5.875
6 HD2 ARG 25 HD3 ARG 25 75.795 -1.488 7.985
7 HE ARG 25 HH12 ARG 25 75.691 -4.130 6.734
8 HH11 ARG 25 HH21 ARG 25 77.244 -2.213 9.217
9 HH12 ARG 25 HH22 ARG 25 78.675 -3.183 9.209
10 HD3 ARG 25 HXT ARG 25 74.759 -2.629 8.863
11 HH21 ARG 25 HXT ARG 25 77.558 -5.354 6.760
12 HH22 ARG 25 H1 ARG 25 78.854 -4.942 7.834
13 HA ARG 25 HB1 ARG 25 71.571 -1.789 6.183
No H/Q in entry = 13
Start of MODEL 8
1 H LEU 26 H LEU 26 69.787 -0.942 7.242
2 HD11 LEU 26 HD12 LEU 26 66.862 1.905 6.484
3 HD12 LEU 26 HD13 LEU 26 65.337 1.196 7.012
4 HD13 LEU 26 HD21 LEU 26 65.744 2.850 7.466
5 HD21 LEU 26 HD22 LEU 26 65.461 -0.256 9.000
6 HD22 LEU 26 HD23 LEU 26 66.217 0.464 10.422
7 HG LEU 26 HXT LEU 26 67.264 2.180 9.089
8 HD23 LEU 26 HXT LEU 26 64.929 1.323 9.579
9 HA LEU 26 HB1 LEU 26 68.859 1.746 6.884
10 HB3 LEU 26 HG3 LEU 26 68.175 -0.235 9.070
11 HB2 LEU 26 HG2 LEU 26 67.547 -0.325 7.425
No H/Q in entry = 11
Start of MODEL 8
1 H TYR 27 H TYR 27 69.838 3.542 7.825
2 HD1 TYR 27 HD2 TYR 27 73.288 3.717 10.971
3 HD2 TYR 27 HE1 TYR 27 72.017 7.553 9.431
4 HE1 TYR 27 HE2 TYR 27 74.796 4.866 12.594
5 HE2 TYR 27 HH TYR 27 73.526 8.702 11.056
6 HH TYR 27 HXT TYR 27 74.768 7.324 13.717
7 HA TYR 27 HB1 TYR 27 71.162 3.272 10.482
8 HB3 TYR 27 HG3 TYR 27 71.083 5.605 8.561
9 HB2 TYR 27 HG2 TYR 27 72.239 4.292 8.425
No H/Q in entry = 9
Start of MODEL 8
1 H THR 28 H THR 28 68.817 5.404 8.799
2 HG1 THR 28 HG21 THR 28 68.448 8.519 9.019
3 HG21 THR 28 HG22 THR 28 68.811 6.830 12.673
4 HG22 THR 28 HG23 THR 28 70.192 6.980 11.588
5 HG23 THR 28 HXT THR 28 69.495 8.420 12.330
6 HA THR 28 HB1 THR 28 67.320 5.789 11.326
7 HB THR 28 HG12 THR 28 67.566 8.325 10.974
No H/Q in entry = 7
Start of MODEL 8
1 H VAL 29 H VAL 29 65.228 6.809 10.945
2 HB VAL 29 HG12 VAL 29 64.084 4.763 8.749
3 HG11 VAL 29 HG12 VAL 29 63.830 5.191 11.197
4 HG12 VAL 29 HG13 VAL 29 62.229 5.861 10.884
5 HG13 VAL 29 HG21 VAL 29 62.553 4.160 10.550
6 HG21 VAL 29 HG22 VAL 29 62.361 6.213 7.367
7 HG22 VAL 29 HG23 VAL 29 61.943 4.571 7.853
8 HG23 VAL 29 HXT VAL 29 61.324 5.945 8.767
9 HA VAL 29 HB1 VAL 29 64.420 7.131 8.094
No H/Q in entry = 9
Start of MODEL 8
1 H ASP 30 H ASP 30 62.721 8.615 7.821
2 HA ASP 30 HB1 ASP 30 61.482 9.754 10.305
3 HB3 ASP 30 HG3 ASP 30 61.988 11.415 7.859
4 HB2 ASP 30 HG2 ASP 30 63.363 11.015 8.889
No H/Q in entry = 4
Start of MODEL 8
1 HB2 PRO 31 HG2 PRO 31 56.158 8.402 9.564
2 HB3 PRO 31 HG3 PRO 31 57.210 6.979 9.462
3 HG2 PRO 31 HD2 PRO 31 57.368 9.321 11.279
4 HG3 PRO 31 HD3 PRO 31 57.736 7.617 11.592
5 HD2 PRO 31 HD3 PRO 31 59.657 9.481 11.213
6 HD3 PRO 31 HXT PRO 31 59.861 7.782 10.738
7 HA PRO 31 HB1 PRO 31 58.176 8.054 7.683
No H/Q in entry = 7
Start of MODEL 8
1 H GLN 32 H GLN 32 57.883 11.060 9.589
2 HB2 GLN 32 HG2 GLN 32 57.257 13.219 10.202
3 HB3 GLN 32 HG3 GLN 32 55.774 13.938 9.576
4 HE21 GLN 32 HE22 GLN 32 53.489 12.228 12.417
5 HE22 GLN 32 HXT GLN 32 54.120 13.253 13.615
6 HA GLN 32 HB1 GLN 32 55.519 11.929 8.068
7 HG3 GLN 32 HD3 GLN 32 55.961 11.219 10.907
8 HG2 GLN 32 HD2 GLN 32 54.484 11.988 10.324
No H/Q in entry = 8
Start of MODEL 8
1 H GLU 33 H GLU 33 58.985 12.522 7.994
2 HB2 GLU 33 HG2 GLU 33 61.024 13.134 7.218
3 HB3 GLU 33 HG3 GLU 33 61.250 14.414 6.024
4 HA GLU 33 HB1 GLU 33 58.723 14.683 6.002
5 HG3 GLU 33 HD3 GLU 33 59.855 14.728 8.699
6 HG2 GLU 33 HD2 GLU 33 60.074 16.004 7.502
No H/Q in entry = 6
Start of MODEL 8
1 H CYS 34 H CYS 34 58.253 11.384 5.767
2 HG CYS 34 HXT CYS 34 56.183 10.110 3.094
3 HA CYS 34 HB1 CYS 34 58.499 9.774 4.061
4 HB3 CYS 34 HG3 CYS 34 58.336 10.945 1.747
5 HB2 CYS 34 HG2 CYS 34 58.234 12.441 2.675
No H/Q in entry = 5
Start of MODEL 8
1 H THR 35 H THR 35 61.007 10.457 5.255
2 HG1 THR 35 HG21 THR 35 63.582 12.025 6.244
3 HG21 THR 35 HG22 THR 35 61.990 12.478 2.683
4 HG22 THR 35 HG23 THR 35 62.182 13.711 3.931
5 HG23 THR 35 HXT THR 35 63.500 13.381 2.807
6 HA THR 35 HB1 THR 35 62.855 10.337 2.895
7 HB THR 35 HG12 THR 35 64.326 11.896 4.278
No H/Q in entry = 7
Start of MODEL 8
1 H ILE 36 H ILE 36 64.839 9.214 3.329
2 HB ILE 36 HG12 ILE 36 65.465 5.730 4.828
3 HG12 ILE 36 HG13 ILE 36 64.420 7.125 2.346
4 HG13 ILE 36 HG21 ILE 36 66.137 6.839 2.625
5 HG21 ILE 36 HG22 ILE 36 63.148 6.746 5.585
6 HG22 ILE 36 HG23 ILE 36 62.820 6.759 3.853
7 HD11 ILE 36 HD12 ILE 36 65.646 4.401 2.881
8 HD12 ILE 36 HD13 ILE 36 63.965 4.730 2.461
9 HG23 ILE 36 HXT ILE 36 63.198 5.242 4.669
10 HD13 ILE 36 HXT ILE 36 65.242 5.017 1.279
11 HA ILE 36 HB1 ILE 36 65.112 7.908 5.998
No H/Q in entry = 11
Start of MODEL 8
1 H ALA 37 H ALA 37 67.314 7.040 6.331
2 HA ALA 37 HB1 ALA 37 69.355 7.959 4.343
3 HB1 ALA 37 HB2 ALA 37 68.866 9.347 6.586
4 HB2 ALA 37 HB3 ALA 37 70.505 9.155 5.962
5 HB3 ALA 37 HXT ALA 37 69.935 8.124 7.277
No H/Q in entry = 5
Start of MODEL 8
1 H LEU 38 H LEU 38 70.725 6.321 3.835
2 HD11 LEU 38 HD12 LEU 38 69.642 3.850 1.169
3 HD12 LEU 38 HD13 LEU 38 69.333 2.164 1.587
4 HD13 LEU 38 HD21 LEU 38 68.017 3.340 1.630
5 HD21 LEU 38 HD22 LEU 38 69.543 2.308 5.057
6 HD22 LEU 38 HD23 LEU 38 67.919 2.385 4.374
7 HG LEU 38 HXT LEU 38 68.854 4.379 3.582
8 HD23 LEU 38 HXT LEU 38 69.153 1.385 3.606
9 HA LEU 38 HB1 LEU 38 70.728 3.876 5.569
10 HB3 LEU 38 HG3 LEU 38 71.412 2.784 3.402
11 HB2 LEU 38 HG2 LEU 38 71.247 4.354 2.616
No H/Q in entry = 11
Start of MODEL 8
1 H SER 39 H SER 39 72.749 2.987 6.165
2 HG SER 39 HXT SER 39 75.175 2.111 8.318
3 HA SER 39 HB1 SER 39 75.144 4.701 5.567
4 HB3 SER 39 HG3 SER 39 74.281 4.693 7.915
5 HB2 SER 39 HG2 SER 39 75.902 4.013 7.805
No H/Q in entry = 5
Start of MODEL 8
1 H SER 40 H SER 40 77.162 3.509 5.263
2 HG SER 40 HXT SER 40 76.282 0.022 6.666
3 HA SER 40 HB1 SER 40 78.295 1.930 3.922
4 HB3 SER 40 HG3 SER 40 78.097 1.006 6.306
5 HB2 SER 40 HG2 SER 40 78.443 -0.174 5.048
No H/Q in entry = 5
Start of MODEL 8
1 H VAL 41 H VAL 41 77.122 2.374 1.971
2 HB VAL 41 HG12 VAL 41 74.020 2.226 1.804
3 HG11 VAL 41 HG12 VAL 41 75.894 3.806 1.232
4 HG12 VAL 41 HG13 VAL 41 75.491 3.574 -0.473
5 HG13 VAL 41 HG21 VAL 41 74.316 4.308 0.620
6 HG21 VAL 41 HG22 VAL 41 74.030 1.154 -0.970
7 HG22 VAL 41 HG23 VAL 41 72.719 1.237 0.202
8 HG23 VAL 41 HXT VAL 41 73.155 2.665 -0.732
9 HA VAL 41 HB1 VAL 41 75.272 0.173 1.151
No H/Q in entry = 9
Start of MODEL 8
1 H ARG 42 H ARG 42 75.453 -0.402 -1.067
2 HB2 ARG 42 HG2 ARG 42 78.335 -1.176 -1.503
3 HB3 ARG 42 HG3 ARG 42 77.073 -2.026 -2.394
4 HG2 ARG 42 HD2 ARG 42 78.119 -1.246 -4.530
5 HG3 ARG 42 HD3 ARG 42 79.433 -0.541 -3.586
6 HD2 ARG 42 HD3 ARG 42 80.011 -2.755 -2.683
7 HE ARG 42 HH12 ARG 42 80.057 -2.127 -5.539
8 HH11 ARG 42 HH21 ARG 42 80.949 -4.504 -3.130
9 HH12 ARG 42 HH22 ARG 42 82.214 -5.163 -4.106
10 HD3 ARG 42 HXT ARG 42 78.660 -3.484 -3.573
11 HH21 ARG 42 HXT ARG 42 81.701 -3.014 -6.766
12 HH22 ARG 42 H1 ARG 42 82.637 -4.331 -6.141
13 HA ARG 42 HB1 ARG 42 77.626 0.953 -2.632
No H/Q in entry = 13
Start of MODEL 8
1 H SER 43 H SER 43 77.293 0.887 -4.938
2 HG SER 43 HXT SER 43 76.737 2.684 -7.918
3 HA SER 43 HB1 SER 43 74.517 0.133 -5.797
4 HB3 SER 43 HG3 SER 43 75.231 2.536 -5.896
5 HB2 SER 43 HG2 SER 43 74.827 1.881 -7.480
No H/Q in entry = 5
Start of MODEL 8
1 H PHE 44 H PHE 44 74.298 -1.229 -7.608
2 HD1 PHE 44 HD2 PHE 44 75.807 -5.856 -8.066
3 HD2 PHE 44 HE1 PHE 44 73.052 -2.890 -6.551
4 HE1 PHE 44 HE2 PHE 44 75.497 -7.206 -5.989
5 HE2 PHE 44 HZ PHE 44 72.742 -4.238 -4.475
6 HZ PHE 44 HXT PHE 44 73.963 -6.397 -4.193
7 HA PHE 44 HB1 PHE 44 76.644 -2.921 -8.153
8 HB3 PHE 44 HG3 PHE 44 74.844 -4.133 -9.529
9 HB2 PHE 44 HG2 PHE 44 73.725 -2.934 -8.909
No H/Q in entry = 9
Start of MODEL 8
1 H GLY 45 H GLY 45 74.560 -0.705 -10.044
2 HA2 GLY 45 HA3 GLY 45 75.951 -1.189 -12.540
3 HA3 GLY 45 HXT GLY 45 76.546 0.255 -11.728
No H/Q in entry = 3
Start of MODEL 8
1 H THR 46 H THR 46 75.635 1.183 -13.832
2 HG1 THR 46 HG21 THR 46 75.610 3.548 -15.236
3 HG21 THR 46 HG22 THR 46 73.432 3.255 -12.116
4 HG22 THR 46 HG23 THR 46 74.194 4.758 -12.638
5 HG23 THR 46 HXT THR 46 72.525 4.414 -13.089
6 HA THR 46 HB1 THR 46 72.680 1.679 -13.615
7 HB THR 46 HG12 THR 46 73.514 3.768 -15.046
No H/Q in entry = 7
Start of MODEL 8
1 H GLU 47 H GLU 47 74.643 -0.265 -15.296
2 HB2 GLU 47 HG2 GLU 47 74.458 -2.193 -16.672
3 HB3 GLU 47 HG3 GLU 47 74.908 -1.995 -18.367
4 HA GLU 47 HB1 GLU 47 74.848 0.514 -17.961
5 HG3 GLU 47 HD3 GLU 47 76.865 -2.328 -16.799
6 HG2 GLU 47 HD2 GLU 47 76.464 -0.771 -16.073
No H/Q in entry = 6
Start of MODEL 8
1 H ASP 48 H ASP 48 71.959 -0.675 -16.334
2 HA ASP 48 HB1 ASP 48 70.475 -1.507 -18.661
3 HB3 ASP 48 HG3 ASP 48 68.530 -1.184 -17.086
4 HB2 ASP 48 HG2 ASP 48 69.648 -0.445 -15.939
No H/Q in entry = 4
Start of MODEL 8
1 H ARG 49 H ARG 49 70.092 1.504 -16.738
2 HB2 ARG 49 HG2 ARG 49 69.226 3.482 -16.150
3 HB3 ARG 49 HG3 ARG 49 68.589 4.671 -17.286
4 HG2 ARG 49 HD2 ARG 49 67.434 1.888 -17.007
5 HG3 ARG 49 HD3 ARG 49 66.838 3.270 -16.088
6 HD2 ARG 49 HD3 ARG 49 66.445 4.475 -18.268
7 HE ARG 49 HH12 ARG 49 64.865 2.568 -17.024
8 HH11 ARG 49 HH21 ARG 49 65.357 3.498 -20.362
9 HH12 ARG 49 HH22 ARG 49 63.761 3.030 -20.831
10 HD3 ARG 49 HXT ARG 49 66.865 2.973 -19.111
11 HH21 ARG 49 HXT ARG 49 62.812 1.978 -17.676
12 HH22 ARG 49 H1 ARG 49 62.334 2.179 -19.329
13 HA ARG 49 HB1 ARG 49 68.889 2.864 -19.088
No H/Q in entry = 13
Start of MODEL 8
1 H ASP 50 H ASP 50 71.987 2.265 -18.460
2 HA ASP 50 HB1 ASP 50 73.278 4.711 -17.808
3 HB3 ASP 50 HG3 ASP 50 74.316 2.473 -17.754
4 HB2 ASP 50 HG2 ASP 50 75.277 3.580 -18.724
No H/Q in entry = 4
Start of MODEL 8
1 H THR 51 H THR 51 74.792 5.891 -19.365
2 HG1 THR 51 HG21 THR 51 75.344 9.002 -19.505
3 HG21 THR 51 HG22 THR 51 74.139 8.920 -22.454
4 HG22 THR 51 HG23 THR 51 75.552 9.717 -21.759
5 HG23 THR 51 HXT THR 51 75.760 8.421 -22.938
6 HA THR 51 HB1 THR 51 73.317 6.916 -21.677
7 HB THR 51 HG12 THR 51 76.189 7.406 -20.836
No H/Q in entry = 7
Start of MODEL 8
1 H GLN 52 H GLN 52 74.374 6.982 -23.866
2 HB2 GLN 52 HG2 GLN 52 75.202 5.322 -26.930
3 HB3 GLN 52 HG3 GLN 52 73.728 5.681 -26.035
4 HE21 GLN 52 HE22 GLN 52 76.521 7.631 -28.396
5 HE22 GLN 52 HXT GLN 52 75.355 8.085 -29.542
6 HA GLN 52 HB1 GLN 52 75.234 4.306 -24.664
7 HG3 GLN 52 HD3 GLN 52 76.087 7.578 -26.119
8 HG2 GLN 52 HD2 GLN 52 74.444 7.924 -25.583
No H/Q in entry = 8
Start of MODEL 8
1 H PHE 53 H PHE 53 76.999 6.828 -23.310
2 HD1 PHE 53 HD2 PHE 53 77.998 7.938 -25.676
3 HD2 PHE 53 HE1 PHE 53 81.345 9.616 -23.510
4 HE1 PHE 53 HE2 PHE 53 78.430 9.515 -27.562
5 HE2 PHE 53 HZ PHE 53 81.776 11.190 -25.399
6 HZ PHE 53 HXT PHE 53 80.319 11.140 -27.424
7 HA PHE 53 HB1 PHE 53 79.519 6.064 -24.687
8 HB3 PHE 53 HG3 PHE 53 80.267 7.683 -22.687
9 HB2 PHE 53 HG2 PHE 53 78.567 8.110 -22.726
No H/Q in entry = 9
Start of MODEL 8
1 H GLN 54 H GLN 54 81.355 5.358 -23.209
2 HB2 GLN 54 HG2 GLN 54 83.172 4.528 -21.987
3 HB3 GLN 54 HG3 GLN 54 83.040 2.929 -21.256
4 HE21 GLN 54 HE22 GLN 54 84.456 4.206 -24.818
5 HE22 GLN 54 HXT GLN 54 85.794 3.175 -24.654
6 HA GLN 54 HB1 GLN 54 80.569 2.983 -21.762
7 HG3 GLN 54 HD3 GLN 54 82.337 3.651 -24.116
8 HG2 GLN 54 HD2 GLN 54 82.101 2.061 -23.391
No H/Q in entry = 8
Start of MODEL 8
1 H ILE 55 H ILE 55 80.178 2.713 -19.588
2 HB ILE 55 HG12 ILE 55 78.700 2.762 -17.518
3 HG12 ILE 55 HG13 ILE 55 78.137 4.217 -19.425
4 HG13 ILE 55 HG21 ILE 55 77.002 4.481 -18.105
5 HG21 ILE 55 HG22 ILE 55 79.315 5.209 -15.874
6 HG22 ILE 55 HG23 ILE 55 77.693 4.514 -15.872
7 HD11 ILE 55 HD12 ILE 55 78.341 6.473 -17.401
8 HD12 ILE 55 HD13 ILE 55 79.381 6.232 -18.805
9 HG23 ILE 55 HXT ILE 55 79.068 3.546 -15.339
10 HD13 ILE 55 HXT ILE 55 77.681 6.639 -19.028
11 HA ILE 55 HB1 ILE 55 80.716 5.032 -17.754
No H/Q in entry = 11
Start of MODEL 8
1 H ALA 56 H ALA 56 82.063 4.649 -16.020
2 HA ALA 56 HB1 ALA 56 83.313 1.959 -15.810
3 HB1 ALA 56 HB2 ALA 56 84.568 4.158 -16.056
4 HB2 ALA 56 HB3 ALA 56 85.070 3.167 -14.686
5 HB3 ALA 56 HXT ALA 56 84.021 4.561 -14.429
No H/Q in entry = 5
Start of MODEL 8
1 HB2 PRO 57 HG2 PRO 57 81.239 -1.152 -11.739
2 HB3 PRO 57 HG3 PRO 57 79.975 -0.632 -12.869
3 HG2 PRO 57 HD2 PRO 57 82.764 -1.490 -13.417
4 HG3 PRO 57 HD3 PRO 57 81.287 -1.778 -14.350
5 HD2 PRO 57 HD3 PRO 57 83.149 0.075 -15.042
6 HD3 PRO 57 HXT PRO 57 81.423 0.233 -15.434
7 HA PRO 57 HB1 PRO 57 80.567 1.489 -12.196
No H/Q in entry = 7
Start of MODEL 8
1 H GLN 58 H GLN 58 81.169 1.895 -10.085
2 HB2 GLN 58 HG2 GLN 58 81.913 3.454 -8.434
3 HB3 GLN 58 HG3 GLN 58 83.534 3.378 -7.748
4 HE21 GLN 58 HE22 GLN 58 83.242 6.381 -10.987
5 HE22 GLN 58 HXT GLN 58 81.677 6.240 -11.628
6 HA GLN 58 HB1 GLN 58 84.056 1.511 -9.361
7 HG3 GLN 58 HD3 GLN 58 84.114 3.524 -10.424
8 HG2 GLN 58 HD2 GLN 58 84.049 4.916 -9.345
No H/Q in entry = 8
Start of MODEL 8
1 H SER 59 H SER 59 84.516 0.215 -7.613
2 HG SER 59 HXT SER 59 86.099 -2.101 -5.525
3 HA SER 59 HB1 SER 59 82.278 -1.136 -6.217
4 HB3 SER 59 HG3 SER 59 84.273 -2.304 -7.209
5 HB2 SER 59 HG2 SER 59 84.034 -2.651 -5.498
No H/Q in entry = 5
Start of MODEL 8
1 H GLN 60 H GLN 60 83.739 1.763 -5.694
2 HB2 GLN 60 HG2 GLN 60 83.364 3.868 -4.672
3 HB3 GLN 60 HG3 GLN 60 84.170 4.166 -3.131
4 HE21 GLN 60 HE22 GLN 60 87.116 5.297 -3.681
5 HE22 GLN 60 HXT GLN 60 88.033 4.303 -2.656
6 HA GLN 60 HB1 GLN 60 84.646 1.699 -2.979
7 HG3 GLN 60 HD3 GLN 60 85.609 4.515 -5.205
8 HG2 GLN 60 HD2 GLN 60 85.533 2.769 -5.443
No H/Q in entry = 8
Start of MODEL 8
1 H ILE 61 H ILE 61 83.527 1.882 -1.032
2 HB ILE 61 HG12 ILE 61 82.584 1.340 1.136
3 HG12 ILE 61 HG13 ILE 61 83.023 -0.338 -0.612
4 HG13 ILE 61 HG21 ILE 61 82.350 -1.113 0.819
5 HG21 ILE 61 HG22 ILE 61 79.644 0.697 0.908
6 HG22 ILE 61 HG23 ILE 61 80.667 -0.086 2.112
7 HD11 ILE 61 HD12 ILE 61 80.087 -1.030 -0.268
8 HD12 ILE 61 HD13 ILE 61 80.856 -0.404 -1.726
9 HG23 ILE 61 HXT ILE 61 80.464 1.666 2.132
10 HD13 ILE 61 HXT ILE 61 81.248 -2.025 -1.150
11 HA ILE 61 HB1 ILE 61 80.570 1.558 -1.130
No H/Q in entry = 11
Start of MODEL 8
1 H TYR 62 H TYR 62 79.190 3.147 -0.352
2 HD1 TYR 62 HD2 TYR 62 79.697 7.597 -1.559
3 HD2 TYR 62 HE1 TYR 62 77.735 3.827 -2.354
4 HE1 TYR 62 HE2 TYR 62 80.224 7.835 -3.988
5 HE2 TYR 62 HH TYR 62 78.262 4.065 -4.783
6 HH TYR 62 HXT TYR 62 79.298 6.976 -6.169
7 HA TYR 62 HB1 TYR 62 80.380 5.769 0.387
8 HB3 TYR 62 HG3 TYR 62 78.021 6.505 0.056
9 HB2 TYR 62 HG2 TYR 62 77.565 4.833 -0.215
No H/Q in entry = 9
Start of MODEL 8
1 H ASP 63 H ASP 63 80.674 6.162 2.536
2 HA ASP 63 HB1 ASP 63 79.801 4.705 4.761
3 HB3 ASP 63 HG3 ASP 63 80.202 6.884 5.971
4 HB2 ASP 63 HG2 ASP 63 80.341 7.662 4.395
No H/Q in entry = 4
Start of MODEL 8
1 H TYR 64 H TYR 64 78.114 7.431 3.171
2 HD1 TYR 64 HD2 TYR 64 74.217 9.849 4.068
3 HD2 TYR 64 HE1 TYR 64 75.633 8.301 7.850
4 HE1 TYR 64 HE2 TYR 64 72.104 10.585 5.161
5 HE2 TYR 64 HH TYR 64 73.516 9.042 8.938
6 HH TYR 64 HXT TYR 64 71.152 9.533 8.237
7 HA TYR 64 HB1 TYR 64 75.577 6.704 4.529
8 HB3 TYR 64 HG3 TYR 64 76.840 9.444 4.775
9 HB2 TYR 64 HG2 TYR 64 77.023 8.200 5.996
No H/Q in entry = 9
Start of MODEL 8
1 H ILE 65 H ILE 65 73.974 6.949 3.031
2 HB ILE 65 HG12 ILE 65 73.134 6.448 0.614
3 HG12 ILE 65 HG13 ILE 65 75.509 7.963 -0.534
4 HG13 ILE 65 HG21 ILE 65 75.614 6.677 0.666
5 HG21 ILE 65 HG22 ILE 65 73.249 8.892 -1.191
6 HG22 ILE 65 HG23 ILE 65 72.860 7.261 -1.740
7 HD11 ILE 65 HD12 ILE 65 74.219 5.324 -1.144
8 HD12 ILE 65 HD13 ILE 65 74.929 6.502 -2.247
9 HG23 ILE 65 HXT ILE 65 71.790 8.091 -0.611
10 HD13 ILE 65 HXT ILE 65 75.972 5.459 -1.281
11 HA ILE 65 HB1 ILE 65 74.164 9.266 1.125
No H/Q in entry = 11
Start of MODEL 8
1 H LEU 66 H LEU 66 72.431 10.614 1.295
2 HD11 LEU 66 HD12 LEU 66 69.364 10.900 4.444
3 HD12 LEU 66 HD13 LEU 66 69.416 12.571 5.002
4 HD13 LEU 66 HD21 LEU 66 67.879 11.845 4.532
5 HD21 LEU 66 HD22 LEU 66 70.010 14.278 3.320
6 HD22 LEU 66 HD23 LEU 66 69.097 14.220 1.812
7 HG LEU 66 HXT LEU 66 68.365 11.966 2.252
8 HD23 LEU 66 HXT LEU 66 68.247 14.246 3.357
9 HA LEU 66 HB1 LEU 66 70.064 9.817 2.884
10 HB3 LEU 66 HG3 LEU 66 70.780 12.415 1.483
11 HB2 LEU 66 HG2 LEU 66 71.258 12.010 3.131
No H/Q in entry = 11
Start of MODEL 8
1 H PHE 67 H PHE 67 68.041 9.436 1.982
2 HD1 PHE 67 HD2 PHE 67 68.141 8.625 -2.650
3 HD2 PHE 67 HE1 PHE 67 69.057 5.615 0.313
4 HE1 PHE 67 HE2 PHE 67 69.859 7.655 -4.160
5 HE2 PHE 67 HZ PHE 67 70.795 4.655 -1.198
6 HZ PHE 67 HXT PHE 67 71.197 5.676 -3.440
7 HA PHE 67 HB1 PHE 67 67.757 9.706 -0.989
8 HB3 PHE 67 HG3 PHE 67 66.448 7.413 -0.500
9 HB2 PHE 67 HG2 PHE 67 67.574 7.354 0.840
No H/Q in entry = 9
Start of MODEL 8
1 H ARG 68 H ARG 68 65.917 10.846 -1.444
2 HB2 ARG 68 HG2 ARG 68 64.254 12.264 -2.178
3 HB3 ARG 68 HG3 ARG 68 62.826 12.615 -1.205
4 HG2 ARG 68 HD2 ARG 68 64.317 13.322 0.665
5 HG3 ARG 68 HD3 ARG 68 65.710 13.068 -0.386
6 HD2 ARG 68 HD3 ARG 68 64.687 14.716 -2.013
7 HE ARG 68 HH12 ARG 68 66.188 15.195 0.267
8 HH11 ARG 68 HH21 ARG 68 63.693 16.989 -1.410
9 HH12 ARG 68 HH22 ARG 68 64.312 18.520 -0.897
10 HD3 ARG 68 HXT ARG 68 63.465 15.074 -0.779
11 HH21 ARG 68 HXT ARG 68 66.951 17.196 0.903
12 HH22 ARG 68 H1 ARG 68 66.136 18.638 0.397
13 HA ARG 68 HB1 ARG 68 63.708 11.006 0.527
No H/Q in entry = 13
Start of MODEL 8
1 H GLY 69 H GLY 69 61.624 10.143 0.132
2 HA2 GLY 69 HA3 GLY 69 60.026 8.672 -0.755
3 HA3 GLY 69 HXT GLY 69 61.390 7.737 -1.363
No H/Q in entry = 3
Start of MODEL 8
1 H SER 70 H SER 70 60.979 11.069 -2.361
2 HG SER 70 HXT SER 70 59.245 13.788 -3.497
3 HA SER 70 HB1 SER 70 59.287 10.665 -4.647
4 HB3 SER 70 HG3 SER 70 60.075 12.906 -5.254
5 HB2 SER 70 HG2 SER 70 61.436 12.748 -4.148
No H/Q in entry = 5
Start of MODEL 8
1 H ASP 71 H ASP 71 62.835 10.562 -4.270
2 HA ASP 71 HB1 ASP 71 63.273 10.351 -7.169
3 HB3 ASP 71 HG3 ASP 71 64.815 11.567 -5.676
4 HB2 ASP 71 HG2 ASP 71 65.648 10.238 -6.478
No H/Q in entry = 4
Start of MODEL 8
1 H ILE 72 H ILE 72 63.206 8.133 -4.402
2 HB ILE 72 HG12 ILE 72 63.848 6.385 -3.252
3 HG12 ILE 72 HG13 ILE 72 65.941 4.860 -4.759
4 HG13 ILE 72 HG21 ILE 72 65.802 6.591 -5.063
5 HG21 ILE 72 HG22 ILE 72 63.924 3.632 -4.533
6 HG22 ILE 72 HG23 ILE 72 64.317 3.970 -2.849
7 HD11 ILE 72 HD12 ILE 72 65.904 5.543 -2.248
8 HD12 ILE 72 HD13 ILE 72 67.391 5.798 -3.171
9 HG23 ILE 72 HXT ILE 72 62.676 4.233 -3.443
10 HD13 ILE 72 HXT ILE 72 66.306 7.151 -2.845
11 HA ILE 72 HB1 ILE 72 63.884 5.864 -6.211
No H/Q in entry = 11
Start of MODEL 8
1 H LYS 73 H LYS 73 62.437 4.153 -6.571
2 HB2 LYS 73 HG2 LYS 73 60.762 4.776 -8.539
3 HB3 LYS 73 HG3 LYS 73 60.875 3.046 -8.214
4 HG2 LYS 73 HG3 LYS 73 58.404 2.947 -7.981
5 HG3 LYS 73 HD2 LYS 73 58.314 4.664 -8.376
6 HD2 LYS 73 HD3 LYS 73 59.475 4.159 -10.547
7 HE2 LYS 73 HE3 LYS 73 56.865 2.688 -10.008
8 HE3 LYS 73 HZ1 LYS 73 57.033 4.381 -10.513
9 HZ1 LYS 73 HZ2 LYS 73 58.232 3.624 -12.484
10 HZ2 LYS 73 HZ3 LYS 73 58.001 2.008 -12.020
11 HD3 LYS 73 HXT LYS 73 59.347 2.442 -10.160
12 HZ3 LYS 73 HXT LYS 73 56.664 2.971 -12.435
13 HA LYS 73 HB1 LYS 73 59.596 5.026 -6.309
No H/Q in entry = 13
Start of MODEL 8
1 H ASP 74 H ASP 74 61.791 2.429 -5.385
2 HA ASP 74 HB1 ASP 74 59.518 1.090 -4.017
3 HB3 ASP 74 HG3 ASP 74 61.317 -0.386 -5.962
4 HB2 ASP 74 HG2 ASP 74 59.717 0.222 -6.390
No H/Q in entry = 4
Start of MODEL 8
1 H ILE 75 H ILE 75 60.161 0.381 -2.057
2 HB ILE 75 HG12 ILE 75 62.522 1.891 -0.757
3 HG12 ILE 75 HG13 ILE 75 62.700 -0.036 1.569
4 HG13 ILE 75 HG21 ILE 75 64.047 0.237 0.466
5 HG21 ILE 75 HG22 ILE 75 60.427 0.449 0.900
6 HG22 ILE 75 HG23 ILE 75 60.889 2.141 1.087
7 HD11 ILE 75 HD12 ILE 75 63.577 2.776 0.974
8 HD12 ILE 75 HD13 ILE 75 62.781 2.140 2.413
9 HG23 ILE 75 HXT ILE 75 60.104 1.600 -0.397
10 HD13 ILE 75 HXT ILE 75 64.490 1.809 2.133
11 HA ILE 75 HB1 ILE 75 63.036 -0.364 -1.645
No H/Q in entry = 11
Start of MODEL 8
1 H ARG 76 H ARG 76 63.323 -2.255 -0.443
2 HB2 ARG 76 HG2 ARG 76 62.541 -4.685 -1.293
3 HB3 ARG 76 HG3 ARG 76 61.464 -5.597 -0.237
4 HG2 ARG 76 HD2 ARG 76 59.628 -3.973 -0.847
5 HG3 ARG 76 HD3 ARG 76 60.720 -3.288 -2.052
6 HD2 ARG 76 HD3 ARG 76 59.929 -6.221 -1.955
7 HE ARG 76 HH12 ARG 76 61.902 -4.682 -3.475
8 HH11 ARG 76 HH21 ARG 76 59.756 -7.447 -3.567
9 HH12 ARG 76 HH22 ARG 76 60.702 -8.263 -4.762
10 HD3 ARG 76 HXT ARG 76 59.193 -5.018 -3.032
11 HH21 ARG 76 HXT ARG 76 63.090 -5.776 -5.017
12 HH22 ARG 76 H1 ARG 76 62.568 -7.331 -5.576
13 HA ARG 76 HB1 ARG 76 61.002 -3.434 1.004
No H/Q in entry = 13
Start of MODEL 8
1 H VAL 77 H VAL 77 61.711 -4.286 2.915
2 HB VAL 77 HG12 VAL 77 63.062 -3.439 5.014
3 HG11 VAL 77 HG12 VAL 77 61.751 -6.164 5.053
4 HG12 VAL 77 HG13 VAL 77 61.560 -5.017 6.374
5 HG13 VAL 77 HG21 VAL 77 61.002 -4.596 4.758
6 HG21 VAL 77 HG22 VAL 77 64.303 -6.023 5.999
7 HG22 VAL 77 HG23 VAL 77 65.076 -4.439 5.929
8 HG23 VAL 77 HXT VAL 77 63.748 -4.722 7.053
9 HA VAL 77 HB1 VAL 77 64.609 -4.539 3.423
No H/Q in entry = 9
Start of MODEL 8
1 H VAL 78 H VAL 78 65.655 -6.514 3.923
2 HB VAL 78 HG12 VAL 78 67.161 -8.388 3.706
3 HG11 VAL 78 HG12 VAL 78 65.755 -10.776 2.508
4 HG12 VAL 78 HG13 VAL 78 67.465 -10.471 2.196
5 HG13 VAL 78 HG21 VAL 78 66.901 -10.736 3.847
6 HG21 VAL 78 HG22 VAL 78 65.672 -8.430 1.063
7 HG22 VAL 78 HG23 VAL 78 66.515 -7.062 1.789
8 HG23 VAL 78 HXT VAL 78 67.431 -8.445 1.188
9 HA VAL 78 HB1 VAL 78 64.261 -8.973 2.995
No H/Q in entry = 9
Start of MODEL 8
1 H ASN 79 H ASN 79 63.646 -10.563 4.432
2 HD21 ASN 79 HD22 ASN 79 63.202 -9.461 9.119
3 HD22 ASN 79 HXT ASN 79 62.602 -10.556 10.270
4 HA ASN 79 HB1 ASN 79 64.622 -10.373 7.267
5 HB3 ASN 79 HG3 ASN 79 61.890 -11.246 6.276
6 HB2 ASN 79 HG2 ASN 79 62.257 -9.602 6.800
No H/Q in entry = 6
Start of MODEL 8
1 H ASN 80 H ASN 80 62.852 -12.647 5.125
2 HD21 ASN 80 HD22 ASN 80 63.520 -16.645 7.644
3 HD22 ASN 80 HXT ASN 80 63.359 -18.200 6.983
4 HA ASN 80 HB1 ASN 80 64.567 -14.866 6.198
5 HB3 ASN 80 HG3 ASN 80 61.803 -14.979 4.950
6 HB2 ASN 80 HG2 ASN 80 62.086 -14.833 6.686
No H/Q in entry = 6
Start of MODEL 8
1 H HIS 81 H HIS 81 66.065 -15.505 4.703
2 HD1 HIS 81 HD2 HIS 81 69.332 -16.398 1.321
3 HD2 HIS 81 HE1 HIS 81 66.889 -13.404 -0.244
4 HE1 HIS 81 HE2 HIS 81 70.001 -16.125 -1.106
5 HA HIS 81 HB1 HIS 81 65.315 -15.425 1.793
6 HB3 HIS 81 HG3 HIS 81 68.020 -15.114 3.118
7 HB2 HIS 81 HG2 HIS 81 67.016 -13.775 2.594
No H/Q in entry = 7
Start of MODEL 8
1 H THR 82 H THR 82 65.123 -17.473 0.994
2 HG1 THR 82 HG21 THR 82 65.271 -21.793 3.007
3 HG21 THR 82 HG22 THR 82 63.503 -18.667 1.410
4 HG22 THR 82 HG23 THR 82 63.556 -20.195 0.530
5 HG23 THR 82 HXT THR 82 62.797 -20.118 2.120
6 HA THR 82 HB1 THR 82 67.033 -19.574 1.931
7 HB THR 82 HG12 THR 82 64.921 -19.756 3.199
No H/Q in entry = 7
Start of MODEL 8
1 H LEU 83 H LEU 83 67.194 -21.389 0.380
2 HD11 LEU 83 HD12 LEU 83 69.688 -20.166 -0.277
3 HD12 LEU 83 HD13 LEU 83 70.175 -18.765 -1.233
4 HD13 LEU 83 HD21 LEU 83 68.496 -18.945 -0.724
5 HD21 LEU 83 HD22 LEU 83 70.985 -21.206 -2.487
6 HD22 LEU 83 HD23 LEU 83 70.155 -20.993 -4.028
7 HG LEU 83 HXT LEU 83 68.422 -19.651 -2.959
8 HD23 LEU 83 HXT LEU 83 70.913 -19.611 -3.237
9 HA LEU 83 HB1 LEU 83 66.535 -20.545 -2.425
10 HB3 LEU 83 HG3 LEU 83 68.505 -22.260 -2.799
11 HB2 LEU 83 HG2 LEU 83 68.818 -21.974 -1.086
No H/Q in entry = 11
Start of MODEL 8
1 HB2 PRO 84 HG2 PRO 84 65.564 -24.924 -5.480
2 HB3 PRO 84 HG3 PRO 84 63.887 -24.379 -5.297
3 HG2 PRO 84 HD2 PRO 84 65.808 -22.860 -6.424
4 HG3 PRO 84 HD3 PRO 84 64.430 -22.184 -5.543
5 HD2 PRO 84 HD3 PRO 84 67.263 -22.477 -4.680
6 HD3 PRO 84 HXT PRO 84 66.088 -21.195 -4.309
7 HA PRO 84 HB1 PRO 84 64.102 -24.170 -3.031
No H/Q in entry = 7
Start of MODEL 9
1 H1 GLY -3 H1 GLY -3 73.076 19.631 19.901
2 H2 GLY -3 H2 GLY -3 73.395 18.313 18.881
3 H3 GLY -3 H3 GLY -3 73.198 19.866 18.222
4 HA2 GLY -3 HA3 GLY -3 71.243 18.315 17.985
5 HA3 GLY -3 HXT GLY -3 70.911 19.910 18.664
No H/Q in entry = 5
Start of MODEL 9
1 H ALA -2 H ALA -2 69.641 17.154 19.062
2 HA ALA -2 HB1 ALA -2 70.066 16.766 21.988
3 HB1 ALA -2 HB2 ALA -2 67.471 17.494 20.594
4 HB2 ALA -2 HB3 ALA -2 68.344 18.475 21.771
5 HB3 ALA -2 HXT ALA -2 67.575 16.970 22.274
No H/Q in entry = 5
Start of MODEL 9
1 H MET -1 H MET -1 69.176 14.715 22.740
2 HB2 MET -1 HG2 MET -1 70.078 12.515 23.193
3 HB3 MET -1 HG3 MET -1 69.717 11.135 22.156
4 HE1 MET -1 HE2 MET -1 72.386 13.178 23.587
5 HE2 MET -1 HE3 MET -1 71.932 11.606 24.239
6 HE3 MET -1 HXT MET -1 73.637 12.002 23.983
7 HA MET -1 HB1 MET -1 68.644 12.750 20.530
8 HG3 MET -1 HD3 MET -1 71.433 13.531 21.447
9 HG2 MET -1 HD2 MET -1 70.970 12.272 20.304
No H/Q in entry = 9
Start of MODEL 9
1 H ALA 0 H ALA 0 67.178 10.972 21.122
2 HA ALA 0 HB1 ALA 0 65.442 11.464 23.504
3 HB1 ALA 0 HB2 ALA 0 64.519 11.072 20.637
4 HB2 ALA 0 HB3 ALA 0 63.467 11.283 22.037
5 HB3 ALA 0 HXT ALA 0 64.504 12.607 21.506
No H/Q in entry = 5
Start of MODEL 9
1 H MET 1 H MET 1 64.217 9.544 24.123
2 HB2 MET 1 HG2 MET 1 64.179 7.828 25.746
3 HB3 MET 1 HG3 MET 1 64.689 6.178 25.389
4 HE1 MET 1 HE2 MET 1 65.240 9.059 27.420
5 HE2 MET 1 HE3 MET 1 64.445 7.664 28.144
6 HE3 MET 1 HXT MET 1 65.732 8.490 29.021
7 HA MET 1 HB1 MET 1 65.434 6.997 23.112
8 HG3 MET 1 HD3 MET 1 66.451 8.644 25.455
9 HG2 MET 1 HD2 MET 1 66.992 7.055 24.913
No H/Q in entry = 9
Start of MODEL 9
1 H SER 2 H SER 2 64.013 5.206 22.720
2 HG SER 2 HXT SER 2 60.477 5.078 19.896
3 HA SER 2 HB1 SER 2 61.126 5.952 22.353
4 HB3 SER 2 HG3 SER 2 62.862 3.967 20.847
5 HB2 SER 2 HG2 SER 2 62.504 5.601 20.299
No H/Q in entry = 5
Start of MODEL 9
1 H GLY 3 H GLY 3 59.578 4.474 23.101
2 HA2 GLY 3 HA3 GLY 3 58.714 2.785 24.486
3 HA3 GLY 3 HXT GLY 3 60.315 2.674 25.218
No H/Q in entry = 3
Start of MODEL 9
1 H GLY 4 H GLY 4 59.625 2.207 21.780
2 HA2 GLY 4 HA3 GLY 4 59.155 -0.374 21.293
3 HA3 GLY 4 HXT GLY 4 60.778 -0.518 21.972
No H/Q in entry = 3
Start of MODEL 9
1 H LEU 5 H LEU 5 62.535 0.560 20.827
2 HD11 LEU 5 HD12 LEU 5 62.981 3.484 17.555
3 HD12 LEU 5 HD13 LEU 5 64.349 4.284 18.326
4 HD13 LEU 5 HD21 LEU 5 64.399 3.920 16.603
5 HD21 LEU 5 HD22 LEU 5 66.324 2.703 19.166
6 HD22 LEU 5 HD23 LEU 5 66.687 1.450 17.979
7 HG LEU 5 HXT LEU 5 64.542 1.554 17.028
8 HD23 LEU 5 HXT LEU 5 66.579 3.137 17.476
9 HA LEU 5 HB1 LEU 5 62.065 1.762 18.197
10 HB3 LEU 5 HG3 LEU 5 64.638 0.826 19.508
11 HB2 LEU 5 HG2 LEU 5 63.871 2.376 19.854
No H/Q in entry = 11
Start of MODEL 9
1 HB2 PRO 6 HG2 PRO 6 62.916 -1.140 13.500
2 HB3 PRO 6 HG3 PRO 6 61.256 -1.090 14.123
3 HG2 PRO 6 HD2 PRO 6 63.303 1.058 14.023
4 HG3 PRO 6 HD3 PRO 6 61.551 1.152 13.792
5 HD2 PRO 6 HD3 PRO 6 62.784 1.931 16.077
6 HD3 PRO 6 HXT PRO 6 61.127 1.291 16.039
7 HA PRO 6 HB1 PRO 6 62.160 -2.113 15.976
No H/Q in entry = 7
Start of MODEL 9
1 H GLU 7 H GLU 7 63.770 -3.578 15.138
2 HB2 GLU 7 HG2 GLU 7 65.211 -5.125 14.107
3 HB3 GLU 7 HG3 GLU 7 66.821 -5.339 14.796
4 HA GLU 7 HB1 GLU 7 66.436 -3.248 16.153
5 HG3 GLU 7 HD3 GLU 7 64.209 -5.273 16.336
6 HG2 GLU 7 HD2 GLU 7 65.808 -5.385 17.072
No H/Q in entry = 6
Start of MODEL 9
1 H LEU 8 H LEU 8 67.409 -1.358 15.270
2 HD11 LEU 8 HD12 LEU 8 69.073 2.768 14.847
3 HD12 LEU 8 HD13 LEU 8 67.510 2.972 15.638
4 HD13 LEU 8 HD21 LEU 8 68.661 1.785 16.252
5 HD21 LEU 8 HD22 LEU 8 67.799 2.246 12.571
6 HD22 LEU 8 HD23 LEU 8 66.406 1.171 12.703
7 HG LEU 8 HXT LEU 8 66.919 0.636 14.982
8 HD23 LEU 8 HXT LEU 8 66.418 2.708 13.567
9 HA LEU 8 HB1 LEU 8 67.473 -0.633 12.496
10 HB3 LEU 8 HG3 LEU 8 69.413 0.765 13.270
11 HB2 LEU 8 HG2 LEU 8 69.351 -0.085 14.814
No H/Q in entry = 11
Start of MODEL 9
1 H GLY 9 H GLY 9 69.711 -0.516 11.311
2 HA2 GLY 9 HA3 GLY 9 71.620 -2.656 11.831
3 HA3 GLY 9 HXT GLY 9 71.645 -1.534 10.490
No H/Q in entry = 3
Start of MODEL 9
1 H SER 10 H SER 10 68.575 -2.836 10.457
2 HG SER 10 HXT SER 10 66.097 -5.252 10.441
3 HA SER 10 HB1 SER 10 68.916 -5.409 9.264
4 HB3 SER 10 HG3 SER 10 66.624 -4.993 8.435
5 HB2 SER 10 HG2 SER 10 66.803 -3.279 8.800
No H/Q in entry = 5
Start of MODEL 9
1 H LYS 11 H LYS 11 69.288 -6.030 7.119
2 HB2 LYS 11 HG2 LYS 11 71.026 -5.999 3.979
3 HB3 LYS 11 HG3 LYS 11 71.385 -6.312 5.673
4 HG2 LYS 11 HG3 LYS 11 69.100 -7.437 5.828
5 HG3 LYS 11 HD2 LYS 11 69.019 -7.319 4.073
6 HD2 LYS 11 HD3 LYS 11 69.915 -9.479 4.511
7 HE2 LYS 11 HE3 LYS 11 71.912 -8.154 6.386
8 HE3 LYS 11 HZ1 LYS 11 70.476 -9.057 6.911
9 HZ1 LYS 11 HZ2 LYS 11 72.599 -10.130 5.129
10 HZ2 LYS 11 HZ3 LYS 11 72.467 -10.475 6.784
11 HD3 LYS 11 HXT LYS 11 71.297 -8.490 4.038
12 HZ3 LYS 11 HXT LYS 11 71.249 -10.981 5.712
13 HA LYS 11 HB1 LYS 11 70.456 -4.028 5.317
No H/Q in entry = 13
Start of MODEL 9
1 H ILE 12 H ILE 12 69.291 -2.905 3.827
2 HB ILE 12 HG12 ILE 12 67.530 -1.160 3.364
3 HG12 ILE 12 HG13 ILE 12 65.463 -2.827 4.836
4 HG13 ILE 12 HG21 ILE 12 67.110 -2.579 5.416
5 HG21 ILE 12 HG22 ILE 12 64.858 -2.330 2.513
6 HG22 ILE 12 HG23 ILE 12 65.140 -0.638 2.922
7 HD11 ILE 12 HD12 ILE 12 66.675 -0.084 5.277
8 HD12 ILE 12 HD13 ILE 12 64.981 -0.472 4.975
9 HG23 ILE 12 HXT ILE 12 65.923 -1.346 1.509
10 HD13 ILE 12 HXT ILE 12 65.733 -0.932 6.503
11 HA ILE 12 HB1 ILE 12 66.667 -4.040 2.906
No H/Q in entry = 11
Start of MODEL 9
1 H SER 13 H SER 13 66.269 -4.000 0.707
2 HG SER 13 HXT SER 13 67.124 -5.323 -3.480
3 HA SER 13 HB1 SER 13 68.445 -3.057 -1.105
4 HB3 SER 13 HG3 SER 13 66.004 -4.803 -1.589
5 HB2 SER 13 HG2 SER 13 67.608 -5.416 -1.198
No H/Q in entry = 5
Start of MODEL 9
1 H LEU 14 H LEU 14 67.988 -1.438 -2.636
2 HD11 LEU 14 HD12 LEU 14 65.383 1.492 0.089
3 HD12 LEU 14 HD13 LEU 14 64.512 2.895 -0.529
4 HD13 LEU 14 HD21 LEU 14 64.317 1.324 -1.307
5 HD21 LEU 14 HD22 LEU 14 67.531 3.105 -0.270
6 HD22 LEU 14 HD23 LEU 14 67.703 3.807 -1.878
7 HG LEU 14 HXT LEU 14 65.810 2.575 -2.705
8 HD23 LEU 14 HXT LEU 14 66.331 4.253 -0.864
9 HA LEU 14 HB1 LEU 14 65.331 -0.078 -2.379
10 HB3 LEU 14 HG3 LEU 14 67.995 1.347 -2.376
11 HB2 LEU 14 HG2 LEU 14 67.327 0.690 -0.883
No H/Q in entry = 11
Start of MODEL 9
1 H ILE 15 H ILE 15 64.528 0.465 -4.380
2 HB ILE 15 HG12 ILE 15 63.369 0.058 -6.492
3 HG12 ILE 15 HG13 ILE 15 65.444 -2.061 -7.120
4 HG13 ILE 15 HG21 ILE 15 64.837 -1.777 -5.489
5 HG21 ILE 15 HG22 ILE 15 64.181 0.939 -8.697
6 HG22 ILE 15 HG23 ILE 15 65.195 -0.495 -8.852
7 HD11 ILE 15 HD12 ILE 15 62.493 -2.073 -6.448
8 HD12 ILE 15 HD13 ILE 15 63.267 -2.664 -7.917
9 HG23 ILE 15 HXT ILE 15 63.439 -0.657 -8.818
10 HD13 ILE 15 HXT ILE 15 63.486 -3.530 -6.397
11 HA ILE 15 HB1 ILE 15 66.390 0.368 -6.727
No H/Q in entry = 11
Start of MODEL 9
1 H SER 16 H SER 16 66.906 2.346 -7.544
2 HG SER 16 HXT SER 16 68.288 5.276 -5.888
3 HA SER 16 HB1 SER 16 65.292 4.739 -6.860
4 HB3 SER 16 HG3 SER 16 67.280 5.916 -7.614
5 HB2 SER 16 HG2 SER 16 67.926 4.440 -8.324
No H/Q in entry = 5
Start of MODEL 9
1 H LYS 17 H LYS 17 64.768 6.313 -8.570
2 HB2 LYS 17 HG2 LYS 17 63.171 7.566 -9.512
3 HB3 LYS 17 HG3 LYS 17 64.481 7.945 -10.630
4 HG2 LYS 17 HG3 LYS 17 62.494 8.724 -11.693
5 HG3 LYS 17 HD2 LYS 17 62.894 7.211 -12.503
6 HD2 LYS 17 HD3 LYS 17 61.271 6.002 -11.146
7 HE2 LYS 17 HE3 LYS 17 59.168 7.397 -11.794
8 HE3 LYS 17 HZ1 LYS 17 60.332 8.521 -12.522
9 HZ1 LYS 17 HZ2 LYS 17 60.215 5.597 -13.038
10 HZ2 LYS 17 HZ3 LYS 17 59.662 6.797 -14.099
11 HD3 LYS 17 HXT LYS 17 60.932 7.454 -10.205
12 HZ3 LYS 17 HXT LYS 17 61.317 6.686 -13.733
13 HA LYS 17 HB1 LYS 17 63.081 5.264 -10.553
No H/Q in entry = 13
Start of MODEL 9
1 H ALA 18 H ALA 18 66.535 5.551 -10.761
2 HA ALA 18 HB1 ALA 18 66.593 5.702 -13.709
3 HB1 ALA 18 HB2 ALA 18 69.124 5.458 -13.102
4 HB2 ALA 18 HB3 ALA 18 68.293 6.937 -12.619
5 HB3 ALA 18 HXT ALA 18 68.582 5.659 -11.434
No H/Q in entry = 5
Start of MODEL 9
1 H ASP 19 H ASP 19 65.488 3.293 -12.104
2 HA ASP 19 HB1 ASP 19 65.614 0.947 -12.080
3 HB3 ASP 19 HG3 ASP 19 66.452 -0.010 -14.233
4 HB2 ASP 19 HG2 ASP 19 67.061 1.581 -14.676
No H/Q in entry = 4
Start of MODEL 9
1 H ILE 20 H ILE 20 67.714 2.489 -10.731
2 HB ILE 20 HG12 ILE 20 69.685 3.249 -9.411
3 HG12 ILE 20 HG13 ILE 20 71.072 2.952 -12.096
4 HG13 ILE 20 HG21 ILE 20 69.441 3.586 -11.897
5 HG21 ILE 20 HG22 ILE 20 72.120 1.607 -10.153
6 HG22 ILE 20 HG23 ILE 20 72.244 3.266 -9.570
7 HD11 ILE 20 HD12 ILE 20 70.469 5.276 -10.254
8 HD12 ILE 20 HD13 ILE 20 72.032 4.782 -10.906
9 HG23 ILE 20 HXT ILE 20 71.544 2.018 -8.539
10 HD13 ILE 20 HXT ILE 20 70.827 5.514 -11.965
11 HA ILE 20 HB1 ILE 20 70.114 0.730 -11.064
No H/Q in entry = 11
Start of MODEL 9
1 H ARG 21 H ARG 21 70.766 -0.622 -9.357
2 HB2 ARG 21 HG2 ARG 21 69.444 -2.767 -8.785
3 HB3 ARG 21 HG3 ARG 21 70.992 -2.830 -7.943
4 HG2 ARG 21 HD2 ARG 21 70.025 -3.562 -5.941
5 HG3 ARG 21 HD3 ARG 21 68.430 -2.944 -6.374
6 HD2 ARG 21 HD3 ARG 21 68.336 -5.352 -6.607
7 HE ARG 21 HH12 ARG 21 70.591 -5.572 -8.463
8 HH11 ARG 21 HH21 ARG 21 69.658 -5.491 -5.091
9 HH12 ARG 21 HH22 ARG 21 71.055 -6.373 -4.581
10 HD3 ARG 21 HXT ARG 21 68.411 -4.688 -8.251
11 HH21 ARG 21 HXT ARG 21 72.382 -6.708 -7.757
12 HH22 ARG 21 H1 ARG 21 72.582 -7.053 -6.072
13 HA ARG 21 HB1 ARG 21 68.819 -0.898 -7.102
No H/Q in entry = 13
Start of MODEL 9
1 H TYR 22 H TYR 22 69.485 0.056 -5.256
2 HD1 TYR 22 HD2 TYR 22 73.505 2.907 -4.199
3 HD2 TYR 22 HE1 TYR 22 69.579 2.600 -5.990
4 HE1 TYR 22 HE2 TYR 22 74.174 4.554 -5.951
5 HE2 TYR 22 HH TYR 22 70.249 4.249 -7.750
6 HH TYR 22 HXT TYR 22 72.302 5.121 -8.780
7 HA TYR 22 HB1 TYR 22 72.399 0.063 -4.549
8 HB3 TYR 22 HG3 TYR 22 71.620 1.898 -2.989
9 HB2 TYR 22 HG2 TYR 22 70.036 1.765 -3.719
No H/Q in entry = 9
Start of MODEL 9
1 H GLU 23 H GLU 23 72.940 -0.755 -2.454
2 HB2 GLU 23 HG2 GLU 23 71.634 -3.547 -2.293
3 HB3 GLU 23 HG3 GLU 23 73.198 -3.326 -1.510
4 HA GLU 23 HB1 GLU 23 70.695 -1.783 -0.756
5 HG3 GLU 23 HD3 GLU 23 70.625 -4.222 -0.177
6 HG2 GLU 23 HD2 GLU 23 72.126 -3.876 0.682
No H/Q in entry = 6
Start of MODEL 9
1 H GLY 24 H GLY 24 71.144 -1.588 1.469
2 HA2 GLY 24 HA3 GLY 24 72.925 0.396 2.326
3 HA3 GLY 24 HXT GLY 24 73.817 -1.115 2.495
No H/Q in entry = 3
Start of MODEL 9
1 H ARG 25 H ARG 25 73.659 -0.210 4.826
2 HB2 ARG 25 HG2 ARG 25 73.938 -0.037 7.094
3 HB3 ARG 25 HG3 ARG 25 72.930 -0.940 8.224
4 HG2 ARG 25 HD2 ARG 25 73.469 -3.033 6.975
5 HG3 ARG 25 HD3 ARG 25 74.561 -2.103 5.947
6 HD2 ARG 25 HD3 ARG 25 75.810 -1.400 8.027
7 HE ARG 25 HH12 ARG 25 75.727 -4.071 6.832
8 HH11 ARG 25 HH21 ARG 25 77.299 -2.068 9.234
9 HH12 ARG 25 HH22 ARG 25 78.750 -3.009 9.211
10 HD3 ARG 25 HXT ARG 25 74.807 -2.542 8.942
11 HH21 ARG 25 HXT ARG 25 77.620 -5.257 6.839
12 HH22 ARG 25 H1 ARG 25 78.931 -4.794 7.872
13 HA ARG 25 HB1 ARG 25 71.580 -1.746 6.247
No H/Q in entry = 13
Start of MODEL 9
1 H LEU 26 H LEU 26 69.763 -0.852 7.186
2 HD11 LEU 26 HD12 LEU 26 66.950 2.049 6.269
3 HD12 LEU 26 HD13 LEU 26 65.394 1.345 6.709
4 HD13 LEU 26 HD21 LEU 26 65.776 3.002 7.174
5 HD21 LEU 26 HD22 LEU 26 65.460 -0.120 8.800
6 HD22 LEU 26 HD23 LEU 26 66.025 0.772 10.211
7 HG LEU 26 HXT LEU 26 67.214 2.339 8.881
8 HD23 LEU 26 HXT LEU 26 64.796 1.473 9.157
9 HA LEU 26 HB1 LEU 26 68.914 1.855 6.783
10 HB3 LEU 26 HG3 LEU 26 68.076 -0.096 8.942
11 HB2 LEU 26 HG2 LEU 26 67.538 -0.193 7.267
No H/Q in entry = 11
Start of MODEL 9
1 H TYR 27 H TYR 27 69.847 3.639 7.782
2 HD1 TYR 27 HD2 TYR 27 73.069 3.942 11.215
3 HD2 TYR 27 HE1 TYR 27 71.947 7.654 9.305
4 HE1 TYR 27 HE2 TYR 27 74.420 5.209 12.889
5 HE2 TYR 27 HH TYR 27 73.297 8.922 10.979
6 HH TYR 27 HXT TYR 27 74.106 8.453 13.434
7 HA TYR 27 HB1 TYR 27 71.088 3.341 10.475
8 HB3 TYR 27 HG3 TYR 27 71.062 5.648 8.515
9 HB2 TYR 27 HG2 TYR 27 72.266 4.374 8.515
No H/Q in entry = 9
Start of MODEL 9
1 H THR 28 H THR 28 68.791 5.493 8.752
2 HG1 THR 28 HG21 THR 28 68.816 9.050 9.478
3 HG21 THR 28 HG22 THR 28 68.650 6.830 12.634
4 HG22 THR 28 HG23 THR 28 70.074 7.074 11.623
5 HG23 THR 28 HXT THR 28 69.285 8.456 12.385
6 HA THR 28 HB1 THR 28 67.210 5.830 11.235
7 HB THR 28 HG12 THR 28 67.453 8.376 10.921
No H/Q in entry = 7
Start of MODEL 9
1 H VAL 29 H VAL 29 65.107 6.744 10.800
2 HB VAL 29 HG12 VAL 29 64.138 4.795 8.471
3 HG11 VAL 29 HG12 VAL 29 63.621 5.325 10.954
4 HG12 VAL 29 HG13 VAL 29 61.959 5.562 10.411
5 HG13 VAL 29 HG21 VAL 29 62.743 3.996 10.197
6 HG21 VAL 29 HG22 VAL 29 61.752 6.523 7.892
7 HG22 VAL 29 HG23 VAL 29 62.606 5.405 6.830
8 HG23 VAL 29 HXT VAL 29 61.525 4.784 8.075
9 HA VAL 29 HB1 VAL 29 64.407 7.214 7.942
No H/Q in entry = 9
Start of MODEL 9
1 H ASP 30 H ASP 30 62.670 8.662 7.687
2 HA ASP 30 HB1 ASP 30 61.316 9.625 10.185
3 HB3 ASP 30 HG3 ASP 30 61.978 11.371 7.818
4 HB2 ASP 30 HG2 ASP 30 63.202 11.036 9.043
No H/Q in entry = 4
Start of MODEL 9
1 HB2 PRO 31 HG2 PRO 31 56.053 8.230 9.181
2 HB3 PRO 31 HG3 PRO 31 57.121 6.828 8.987
3 HG2 PRO 31 HD2 PRO 31 57.208 9.005 11.000
4 HG3 PRO 31 HD3 PRO 31 57.589 7.286 11.175
5 HD2 PRO 31 HD3 PRO 31 59.495 9.198 11.007
6 HD3 PRO 31 HXT PRO 31 59.733 7.545 10.396
7 HA PRO 31 HB1 PRO 31 58.123 8.055 7.331
No H/Q in entry = 7
Start of MODEL 9
1 H GLN 32 H GLN 32 57.781 10.897 9.456
2 HB2 GLN 32 HG2 GLN 32 57.169 13.011 10.212
3 HB3 GLN 32 HG3 GLN 32 55.708 13.797 9.611
4 HE21 GLN 32 HE22 GLN 32 53.324 11.951 12.253
5 HE22 GLN 32 HXT GLN 32 53.938 12.877 13.536
6 HA GLN 32 HB1 GLN 32 55.456 11.902 7.959
7 HG3 GLN 32 HD3 GLN 32 55.837 10.990 10.756
8 HG2 GLN 32 HD2 GLN 32 54.381 11.810 10.188
No H/Q in entry = 8
Start of MODEL 9
1 H GLU 33 H GLU 33 58.930 12.460 8.000
2 HB2 GLU 33 HG2 GLU 33 61.012 13.083 7.259
3 HB3 GLU 33 HG3 GLU 33 61.246 14.482 6.211
4 HA GLU 33 HB1 GLU 33 58.736 14.752 6.153
5 HG3 GLU 33 HD3 GLU 33 59.903 14.472 8.930
6 HG2 GLU 33 HD2 GLU 33 59.972 15.871 7.859
No H/Q in entry = 6
Start of MODEL 9
1 H CYS 34 H CYS 34 58.228 11.481 5.689
2 HG CYS 34 HXT CYS 34 55.925 12.151 3.220
3 HA CYS 34 HB1 CYS 34 58.488 9.983 3.888
4 HB3 CYS 34 HG3 CYS 34 58.385 11.309 1.652
5 HB2 CYS 34 HG2 CYS 34 58.270 12.738 2.678
No H/Q in entry = 5
Start of MODEL 9
1 H THR 35 H THR 35 60.991 10.611 5.170
2 HG1 THR 35 HG21 THR 35 63.318 11.800 6.232
3 HG21 THR 35 HG22 THR 35 62.016 12.698 2.651
4 HG22 THR 35 HG23 THR 35 62.203 13.910 3.919
5 HG23 THR 35 HXT THR 35 63.532 13.586 2.808
6 HA THR 35 HB1 THR 35 62.871 10.548 2.834
7 HB THR 35 HG12 THR 35 64.326 12.076 4.272
No H/Q in entry = 7
Start of MODEL 9
1 H ILE 36 H ILE 36 64.813 9.363 3.250
2 HB ILE 36 HG12 ILE 36 65.392 5.880 4.780
3 HG12 ILE 36 HG13 ILE 36 64.316 7.261 2.304
4 HG13 ILE 36 HG21 ILE 36 66.034 6.951 2.549
5 HG21 ILE 36 HG22 ILE 36 63.116 6.932 5.585
6 HG22 ILE 36 HG23 ILE 36 62.747 6.965 3.861
7 HD11 ILE 36 HD12 ILE 36 64.008 4.733 2.810
8 HD12 ILE 36 HD13 ILE 36 64.664 5.184 1.236
9 HG23 ILE 36 HXT ILE 36 63.109 5.433 4.656
10 HD13 ILE 36 HXT ILE 36 65.742 4.611 2.509
11 HA ILE 36 HB1 ILE 36 65.099 8.081 5.927
No H/Q in entry = 11
Start of MODEL 9
1 H ALA 37 H ALA 37 67.286 7.179 6.241
2 HA ALA 37 HB1 ALA 37 69.317 8.020 4.212
3 HB1 ALA 37 HB2 ALA 37 68.880 9.504 6.385
4 HB2 ALA 37 HB3 ALA 37 70.521 9.223 5.799
5 HB3 ALA 37 HXT ALA 37 69.889 8.274 7.147
No H/Q in entry = 5
Start of MODEL 9
1 H LEU 38 H LEU 38 70.661 6.347 3.743
2 HD11 LEU 38 HD12 LEU 38 69.535 2.140 1.675
3 HD12 LEU 38 HD13 LEU 38 67.926 2.859 1.745
4 HD13 LEU 38 HD21 LEU 38 69.281 3.790 1.107
5 HD21 LEU 38 HD22 LEU 38 69.463 1.805 4.438
6 HD22 LEU 38 HD23 LEU 38 68.569 3.112 5.215
7 HG LEU 38 HXT LEU 38 68.803 4.543 3.375
8 HD23 LEU 38 HXT LEU 38 67.813 2.170 3.929
9 HA LEU 38 HB1 LEU 38 70.650 3.961 5.560
10 HB3 LEU 38 HG3 LEU 38 71.254 2.763 3.448
11 HB2 LEU 38 HG2 LEU 38 71.197 4.301 2.589
No H/Q in entry = 11
Start of MODEL 9
1 H SER 39 H SER 39 72.681 3.010 6.093
2 HG SER 39 HXT SER 39 73.961 2.941 8.943
3 HA SER 39 HB1 SER 39 75.072 4.736 5.507
4 HB3 SER 39 HG3 SER 39 74.181 4.779 7.845
5 HB2 SER 39 HG2 SER 39 75.806 4.107 7.768
No H/Q in entry = 5
Start of MODEL 9
1 H SER 40 H SER 40 77.107 3.539 5.293
2 HG SER 40 HXT SER 40 76.669 -1.109 5.847
3 HA SER 40 HB1 SER 40 78.278 1.937 4.012
4 HB3 SER 40 HG3 SER 40 78.022 1.057 6.403
5 HB2 SER 40 HG2 SER 40 78.386 -0.151 5.178
No H/Q in entry = 5
Start of MODEL 9
1 H VAL 41 H VAL 41 77.187 2.314 2.008
2 HB VAL 41 HG12 VAL 41 74.086 2.259 1.795
3 HG11 VAL 41 HG12 VAL 41 76.031 3.757 1.194
4 HG12 VAL 41 HG13 VAL 41 75.605 3.513 -0.502
5 HG13 VAL 41 HG21 VAL 41 74.467 4.305 0.590
6 HG21 VAL 41 HG22 VAL 41 74.127 1.176 -0.988
7 HG22 VAL 41 HG23 VAL 41 72.816 1.206 0.189
8 HG23 VAL 41 HXT VAL 41 73.219 2.663 -0.716
9 HA VAL 41 HB1 VAL 41 75.283 0.152 1.212
No H/Q in entry = 9
Start of MODEL 9
1 H ARG 42 H ARG 42 75.502 -0.512 -0.962
2 HB2 ARG 42 HG2 ARG 42 76.922 -2.174 -2.179
3 HB3 ARG 42 HG3 ARG 42 78.150 -1.625 -3.320
4 HG2 ARG 42 HD2 ARG 42 79.493 -2.138 -1.507
5 HG3 ARG 42 HD3 ARG 42 79.149 -0.443 -1.161
6 HD2 ARG 42 HD3 ARG 42 78.035 -0.980 0.746
7 HE ARG 42 HH12 ARG 42 79.821 -3.059 0.278
8 HH11 ARG 42 HH21 ARG 42 76.685 -2.829 1.813
9 HH12 ARG 42 HH22 ARG 42 77.007 -4.141 2.892
10 HD3 ARG 42 HXT ARG 42 77.059 -2.201 -0.091
11 HH21 ARG 42 HXT ARG 42 80.194 -4.748 1.693
12 HH22 ARG 42 H1 ARG 42 78.971 -5.217 2.827
13 HA ARG 42 HB1 ARG 42 77.735 0.734 -2.535
No H/Q in entry = 13
Start of MODEL 9
1 H SER 43 H SER 43 77.381 0.766 -4.840
2 HG SER 43 HXT SER 43 77.406 2.793 -6.812
3 HA SER 43 HB1 SER 43 74.560 0.242 -5.710
4 HB3 SER 43 HG3 SER 43 75.534 2.549 -5.883
5 HB2 SER 43 HG2 SER 43 75.068 1.888 -7.448
No H/Q in entry = 5
Start of MODEL 9
1 H PHE 44 H PHE 44 74.206 -1.274 -7.339
2 HD1 PHE 44 HD2 PHE 44 75.864 -5.651 -7.224
3 HD2 PHE 44 HE1 PHE 44 72.502 -3.079 -6.346
4 HE1 PHE 44 HE2 PHE 44 75.576 -6.782 -5.018
5 HE2 PHE 44 HZ PHE 44 72.213 -4.210 -4.140
6 HZ PHE 44 HXT PHE 44 73.750 -6.061 -3.476
7 HA PHE 44 HB1 PHE 44 76.434 -3.122 -7.865
8 HB3 PHE 44 HG3 PHE 44 74.517 -4.356 -9.033
9 HB2 PHE 44 HG2 PHE 44 73.482 -3.048 -8.490
No H/Q in entry = 9
Start of MODEL 9
1 H GLY 45 H GLY 45 74.353 -0.953 -9.818
2 HA2 GLY 45 HA3 GLY 45 75.621 -1.655 -12.328
3 HA3 GLY 45 HXT GLY 45 76.311 -0.195 -11.631
No H/Q in entry = 3
Start of MODEL 9
1 H THR 46 H THR 46 75.396 0.699 -13.707
2 HG1 THR 46 HG21 THR 46 75.450 3.524 -14.977
3 HG21 THR 46 HG22 THR 46 73.276 2.908 -12.027
4 HG22 THR 46 HG23 THR 46 74.153 4.340 -12.570
5 HG23 THR 46 HXT THR 46 72.463 4.117 -13.021
6 HA THR 46 HB1 THR 46 72.469 1.334 -13.465
7 HB THR 46 HG12 THR 46 73.374 3.344 -14.962
No H/Q in entry = 7
Start of MODEL 9
1 H GLU 47 H GLU 47 74.314 -0.746 -15.113
2 HB2 GLU 47 HG2 GLU 47 73.977 -2.705 -16.434
3 HB3 GLU 47 HG3 GLU 47 74.444 -2.581 -18.131
4 HA GLU 47 HB1 GLU 47 74.540 -0.066 -17.797
5 HG3 GLU 47 HD3 GLU 47 76.050 -1.602 -15.753
6 HG2 GLU 47 HD2 GLU 47 76.501 -1.352 -17.440
No H/Q in entry = 6
Start of MODEL 9
1 H ASP 48 H ASP 48 71.583 -1.015 -16.132
2 HA ASP 48 HB1 ASP 48 70.047 -1.854 -18.416
3 HB3 ASP 48 HG3 ASP 48 68.127 -1.319 -16.865
4 HB2 ASP 48 HG2 ASP 48 69.295 -0.607 -15.753
No H/Q in entry = 4
Start of MODEL 9
1 H ARG 49 H ARG 49 69.855 1.276 -16.659
2 HB2 ARG 49 HG2 ARG 49 69.162 3.410 -16.200
3 HB3 ARG 49 HG3 ARG 49 68.465 4.475 -17.421
4 HG2 ARG 49 HD2 ARG 49 67.337 1.724 -16.890
5 HG3 ARG 49 HD3 ARG 49 66.816 3.136 -15.969
6 HD2 ARG 49 HD3 ARG 49 66.750 2.997 -19.004
7 HE ARG 49 HH12 ARG 49 66.278 5.098 -17.023
8 HH11 ARG 49 HH21 ARG 49 65.373 3.911 -20.190
9 HH12 ARG 49 HH22 ARG 49 64.875 5.473 -20.740
10 HD3 ARG 49 HXT ARG 49 65.350 2.669 -17.966
11 HH21 ARG 49 HXT ARG 49 65.621 7.094 -17.779
12 HH22 ARG 49 H1 ARG 49 65.012 7.256 -19.392
13 HA ARG 49 HB1 ARG 49 68.729 2.576 -19.079
No H/Q in entry = 13
Start of MODEL 9
1 H ASP 50 H ASP 50 71.782 1.821 -18.433
2 HA ASP 50 HB1 ASP 50 73.208 4.219 -17.873
3 HB3 ASP 50 HG3 ASP 50 74.078 1.907 -17.677
4 HB2 ASP 50 HG2 ASP 50 75.149 2.916 -18.642
No H/Q in entry = 4
Start of MODEL 9
1 H THR 51 H THR 51 74.678 5.386 -19.366
2 HG1 THR 51 HG21 THR 51 75.144 8.510 -19.744
3 HG21 THR 51 HG22 THR 51 74.339 8.007 -22.851
4 HG22 THR 51 HG23 THR 51 75.488 9.036 -21.995
5 HG23 THR 51 HXT THR 51 76.068 7.682 -22.967
6 HA THR 51 HB1 THR 51 73.433 6.155 -21.902
7 HB THR 51 HG12 THR 51 76.181 6.815 -20.798
No H/Q in entry = 7
Start of MODEL 9
1 H GLN 52 H GLN 52 74.724 6.068 -23.965
2 HB2 GLN 52 HG2 GLN 52 75.902 4.165 -26.762
3 HB3 GLN 52 HG3 GLN 52 74.337 4.562 -26.060
4 HE21 GLN 52 HE22 GLN 52 77.326 6.377 -28.290
5 HE22 GLN 52 HXT GLN 52 76.278 6.690 -29.588
6 HA GLN 52 HB1 GLN 52 75.717 3.359 -24.421
7 HG3 GLN 52 HD3 GLN 52 76.655 6.510 -26.077
8 HG2 GLN 52 HD2 GLN 52 74.958 6.856 -25.747
No H/Q in entry = 8
Start of MODEL 9
1 H PHE 53 H PHE 53 77.279 6.039 -23.126
2 HD1 PHE 53 HD2 PHE 53 78.510 6.958 -25.501
3 HD2 PHE 53 HE1 PHE 53 81.623 8.880 -23.195
4 HE1 PHE 53 HE2 PHE 53 79.146 8.318 -27.494
5 HE2 PHE 53 HZ PHE 53 82.259 10.238 -25.190
6 HZ PHE 53 HXT PHE 53 81.021 9.959 -27.339
7 HA PHE 53 HB1 PHE 53 79.943 5.216 -24.160
8 HB3 PHE 53 HG3 PHE 53 80.442 7.062 -22.274
9 HB2 PHE 53 HG2 PHE 53 78.754 7.439 -22.560
No H/Q in entry = 9
Start of MODEL 9
1 H GLN 54 H GLN 54 81.582 4.467 -22.619
2 HB2 GLN 54 HG2 GLN 54 83.320 3.642 -21.283
3 HB3 GLN 54 HG3 GLN 54 83.036 2.186 -20.331
4 HE21 GLN 54 HE22 GLN 54 83.567 -0.255 -23.480
5 HE22 GLN 54 HXT GLN 54 85.237 0.052 -23.504
6 HA GLN 54 HB1 GLN 54 80.579 2.412 -20.850
7 HG3 GLN 54 HD3 GLN 54 82.291 2.530 -23.251
8 HG2 GLN 54 HD2 GLN 54 82.066 1.068 -22.291
No H/Q in entry = 8
Start of MODEL 9
1 H ILE 55 H ILE 55 80.333 2.427 -18.623
2 HB ILE 55 HG12 ILE 55 78.831 2.885 -16.660
3 HG12 ILE 55 HG13 ILE 55 78.511 5.748 -17.611
4 HG13 ILE 55 HG21 ILE 55 78.555 4.372 -18.713
5 HG21 ILE 55 HG22 ILE 55 79.350 5.578 -15.355
6 HG22 ILE 55 HG23 ILE 55 77.970 4.530 -15.025
7 HD11 ILE 55 HD12 ILE 55 76.695 3.398 -17.135
8 HD12 ILE 55 HD13 ILE 55 76.481 5.084 -16.660
9 HG23 ILE 55 HXT ILE 55 79.599 4.004 -14.598
10 HD13 ILE 55 HXT ILE 55 76.261 4.608 -18.342
11 HA ILE 55 HB1 ILE 55 80.986 4.977 -17.172
No H/Q in entry = 11
Start of MODEL 9
1 H ALA 56 H ALA 56 82.245 4.790 -15.324
2 HA ALA 56 HB1 ALA 56 83.394 2.112 -14.724
3 HB1 ALA 56 HB2 ALA 56 84.127 4.983 -14.115
4 HB2 ALA 56 HB3 ALA 56 85.002 3.620 -13.416
5 HB3 ALA 56 HXT ALA 56 84.978 3.850 -15.164
No H/Q in entry = 5
Start of MODEL 9
1 HB2 PRO 57 HG2 PRO 57 81.134 -0.297 -10.292
2 HB3 PRO 57 HG3 PRO 57 79.909 0.068 -11.522
3 HG2 PRO 57 HD2 PRO 57 82.690 -0.917 -11.855
4 HG3 PRO 57 HD3 PRO 57 81.230 -1.313 -12.775
5 HD2 PRO 57 HD3 PRO 57 83.150 0.371 -13.691
6 HD3 PRO 57 HXT PRO 57 81.437 0.514 -14.142
7 HA PRO 57 HB1 PRO 57 80.530 2.257 -11.175
No H/Q in entry = 7
Start of MODEL 9
1 H GLN 58 H GLN 58 80.948 2.512 -8.915
2 HB2 GLN 58 HG2 GLN 58 81.160 3.641 -6.919
3 HB3 GLN 58 HG3 GLN 58 82.730 4.100 -6.259
4 HE21 GLN 58 HE22 GLN 58 83.279 7.190 -6.968
5 HE22 GLN 58 HXT GLN 58 84.868 7.089 -7.557
6 HA GLN 58 HB1 GLN 58 83.805 2.971 -8.248
7 HG3 GLN 58 HD3 GLN 58 81.564 5.872 -7.683
8 HG2 GLN 58 HD2 GLN 58 81.876 4.826 -9.069
No H/Q in entry = 8
Start of MODEL 9
1 H SER 59 H SER 59 84.844 1.192 -7.435
2 HG SER 59 HXT SER 59 86.639 -2.480 -5.916
3 HA SER 59 HB1 SER 59 83.573 -1.024 -6.098
4 HB3 SER 59 HG3 SER 59 86.450 -0.057 -5.996
5 HB2 SER 59 HG2 SER 59 85.773 -1.036 -7.293
No H/Q in entry = 5
Start of MODEL 9
1 H GLN 60 H GLN 60 84.905 2.033 -4.956
2 HB2 GLN 60 HG2 GLN 60 86.022 3.456 -3.516
3 HB3 GLN 60 HG3 GLN 60 84.359 4.033 -3.404
4 HE21 GLN 60 HE22 GLN 60 87.689 5.084 -1.002
5 HE22 GLN 60 HXT GLN 60 87.360 6.705 -1.387
6 HA GLN 60 HB1 GLN 60 85.302 1.415 -2.198
7 HG3 GLN 60 HD3 GLN 60 86.186 3.411 -1.064
8 HG2 GLN 60 HD2 GLN 60 84.505 3.930 -0.929
No H/Q in entry = 8
Start of MODEL 9
1 H ILE 61 H ILE 61 83.919 2.027 -0.363
2 HB ILE 61 HG12 ILE 61 82.689 1.632 1.672
3 HG12 ILE 61 HG13 ILE 61 83.491 -0.168 0.164
4 HG13 ILE 61 HG21 ILE 61 82.744 -0.829 1.615
5 HG21 ILE 61 HG22 ILE 61 79.864 0.769 1.090
6 HG22 ILE 61 HG23 ILE 61 80.732 0.112 2.476
7 HD11 ILE 61 HD12 ILE 61 80.643 -1.196 0.361
8 HD12 ILE 61 HD13 ILE 61 81.402 -0.554 -1.096
9 HG23 ILE 61 HXT ILE 61 80.454 1.849 2.353
10 HD13 ILE 61 HXT ILE 61 81.989 -2.057 -0.383
11 HA ILE 61 HB1 ILE 61 81.048 1.433 -0.879
No H/Q in entry = 11
Start of MODEL 9
1 H TYR 62 H TYR 62 79.397 2.899 -0.256
2 HD1 TYR 62 HD2 TYR 62 79.065 3.289 -2.237
3 HD2 TYR 62 HE1 TYR 62 78.104 7.484 -1.837
4 HE1 TYR 62 HE2 TYR 62 79.558 3.632 -4.659
5 HE2 TYR 62 HH TYR 62 78.597 7.828 -4.259
6 HH TYR 62 HXT TYR 62 78.592 6.291 -6.380
7 HA TYR 62 HB1 TYR 62 80.227 5.705 0.244
8 HB3 TYR 62 HG3 TYR 62 77.722 6.023 -0.034
9 HB2 TYR 62 HG2 TYR 62 77.609 4.295 -0.310
No H/Q in entry = 9
Start of MODEL 9
1 H ASP 63 H ASP 63 80.626 6.162 2.376
2 HA ASP 63 HB1 ASP 63 79.840 4.786 4.690
3 HB3 ASP 63 HG3 ASP 63 80.094 7.790 4.459
4 HB2 ASP 63 HG2 ASP 63 81.480 6.706 4.347
No H/Q in entry = 4
Start of MODEL 9
1 H TYR 64 H TYR 64 78.089 7.438 3.042
2 HD1 TYR 64 HD2 TYR 64 74.252 9.916 3.960
3 HD2 TYR 64 HE1 TYR 64 75.597 8.307 7.744
4 HE1 TYR 64 HE2 TYR 64 72.141 10.681 5.035
5 HE2 TYR 64 HH TYR 64 73.482 9.077 8.815
6 HH TYR 64 HXT TYR 64 71.139 9.621 8.097
7 HA TYR 64 HB1 TYR 64 75.577 6.719 4.440
8 HB3 TYR 64 HG3 TYR 64 76.852 9.454 4.682
9 HB2 TYR 64 HG2 TYR 64 77.011 8.211 5.906
No H/Q in entry = 9
Start of MODEL 9
1 H ILE 65 H ILE 65 73.963 6.960 2.937
2 HB ILE 65 HG12 ILE 65 73.064 6.492 0.533
3 HG12 ILE 65 HG13 ILE 65 75.461 7.936 -0.657
4 HG13 ILE 65 HG21 ILE 65 75.563 6.700 0.594
5 HG21 ILE 65 HG22 ILE 65 73.155 8.998 -1.173
6 HG22 ILE 65 HG23 ILE 65 72.929 7.389 -1.858
7 HD11 ILE 65 HD12 ILE 65 74.116 5.306 -1.158
8 HD12 ILE 65 HD13 ILE 65 74.869 6.416 -2.304
9 HG23 ILE 65 HXT ILE 65 71.738 8.044 -0.735
10 HD13 ILE 65 HXT ILE 65 75.872 5.383 -1.287
11 HA ILE 65 HB1 ILE 65 74.152 9.287 1.043
No H/Q in entry = 11
Start of MODEL 9
1 H LEU 66 H LEU 66 72.482 10.681 1.326
2 HD11 LEU 66 HD12 LEU 66 69.959 11.731 4.924
3 HD12 LEU 66 HD13 LEU 66 68.334 12.415 4.955
4 HD13 LEU 66 HD21 LEU 66 68.604 10.813 4.268
5 HD21 LEU 66 HD22 LEU 66 69.605 14.392 2.216
6 HD22 LEU 66 HD23 LEU 66 68.331 14.321 3.432
7 HG LEU 66 HXT LEU 66 68.458 12.152 2.351
8 HD23 LEU 66 HXT LEU 66 70.022 14.224 3.922
9 HA LEU 66 HB1 LEU 66 70.072 9.879 2.853
10 HB3 LEU 66 HG3 LEU 66 70.859 12.526 1.590
11 HB2 LEU 66 HG2 LEU 66 71.361 12.018 3.203
No H/Q in entry = 11
Start of MODEL 9
1 H PHE 67 H PHE 67 68.042 9.623 1.903
2 HD1 PHE 67 HD2 PHE 67 68.272 9.114 -2.785
3 HD2 PHE 67 HE1 PHE 67 69.216 5.994 0.055
4 HE1 PHE 67 HE2 PHE 67 70.111 8.320 -4.264
5 HE2 PHE 67 HZ PHE 67 71.068 5.209 -1.422
6 HZ PHE 67 HXT PHE 67 71.517 6.373 -3.584
7 HA PHE 67 HB1 PHE 67 67.803 10.088 -1.044
8 HB3 PHE 67 HG3 PHE 67 66.549 7.752 -0.815
9 HB2 PHE 67 HG2 PHE 67 67.592 7.589 0.585
No H/Q in entry = 9
Start of MODEL 9
1 H ARG 68 H ARG 68 65.893 11.097 -1.518
2 HB2 ARG 68 HG2 ARG 68 64.197 12.473 -2.227
3 HB3 ARG 68 HG3 ARG 68 62.775 12.802 -1.237
4 HG2 ARG 68 HD2 ARG 68 64.297 13.531 0.614
5 HG3 ARG 68 HD3 ARG 68 65.663 13.335 -0.483
6 HD2 ARG 68 HD3 ARG 68 63.288 15.128 -1.091
7 HE ARG 68 HH12 ARG 68 65.263 14.111 -2.760
8 HH11 ARG 68 HH21 ARG 68 64.470 17.311 -1.588
9 HH12 ARG 68 HH22 ARG 68 65.103 18.090 -2.995
10 HD3 ARG 68 HXT ARG 68 64.799 15.709 -0.366
11 HH21 ARG 68 HXT ARG 68 66.068 15.162 -4.559
12 HH22 ARG 68 H1 ARG 68 65.998 16.889 -4.659
13 HA ARG 68 HB1 ARG 68 63.719 11.223 0.494
No H/Q in entry = 13
Start of MODEL 9
1 H GLY 69 H GLY 69 61.583 10.434 0.055
2 HA2 GLY 69 HA3 GLY 69 59.965 8.996 -0.846
3 HA3 GLY 69 HXT GLY 69 61.313 8.006 -1.404
No H/Q in entry = 3
Start of MODEL 9
1 H SER 70 H SER 70 61.141 11.317 -2.493
2 HG SER 70 HXT SER 70 62.399 13.072 -5.162
3 HA SER 70 HB1 SER 70 59.424 10.953 -4.779
4 HB3 SER 70 HG3 SER 70 60.038 13.104 -3.643
5 HB2 SER 70 HG2 SER 70 60.267 13.157 -5.388
No H/Q in entry = 5
Start of MODEL 9
1 H ASP 71 H ASP 71 62.980 10.788 -4.394
2 HA ASP 71 HB1 ASP 71 63.377 10.412 -7.285
3 HB3 ASP 71 HG3 ASP 71 64.955 11.710 -5.923
4 HB2 ASP 71 HG2 ASP 71 65.766 10.312 -6.622
No H/Q in entry = 4
Start of MODEL 9
1 H ILE 72 H ILE 72 63.378 8.367 -4.380
2 HB ILE 72 HG12 ILE 72 64.231 6.653 -3.197
3 HG12 ILE 72 HG13 ILE 72 66.126 5.228 -5.054
4 HG13 ILE 72 HG21 ILE 72 65.942 6.979 -5.140
5 HG21 ILE 72 HG22 ILE 72 63.122 4.419 -3.274
6 HG22 ILE 72 HG23 ILE 72 64.371 3.860 -4.386
7 HD11 ILE 72 HD12 ILE 72 66.642 5.439 -2.631
8 HD12 ILE 72 HD13 ILE 72 67.804 6.299 -3.642
9 HG23 ILE 72 HXT ILE 72 64.795 4.309 -2.735
10 HD13 ILE 72 HXT ILE 72 66.545 7.191 -2.785
11 HA ILE 72 HB1 ILE 72 63.886 5.983 -6.116
No H/Q in entry = 11
Start of MODEL 9
1 H LYS 73 H LYS 73 62.342 4.349 -6.275
2 HB2 LYS 73 HG2 LYS 73 60.417 5.253 -7.939
3 HB3 LYS 73 HG3 LYS 73 60.485 3.496 -7.799
4 HG2 LYS 73 HG3 LYS 73 58.077 3.466 -7.200
5 HG3 LYS 73 HD2 LYS 73 58.018 5.217 -7.406
6 HD2 LYS 73 HD3 LYS 73 58.802 4.905 -9.770
7 HE2 LYS 73 HE3 LYS 73 56.328 3.230 -9.447
8 HE3 LYS 73 HZ1 LYS 73 56.300 4.916 -8.892
9 HZ1 LYS 73 HZ2 LYS 73 57.198 5.594 -11.041
10 HZ2 LYS 73 HZ3 LYS 73 57.165 3.982 -11.579
11 HD3 LYS 73 HXT LYS 73 58.658 3.163 -9.540
12 HZ3 LYS 73 HXT LYS 73 55.714 4.789 -11.233
13 HA LYS 73 HB1 LYS 73 59.608 5.316 -5.544
No H/Q in entry = 13
Start of MODEL 9
1 H ASP 74 H ASP 74 61.800 2.651 -4.992
2 HA ASP 74 HB1 ASP 74 59.555 1.170 -3.705
3 HB3 ASP 74 HG3 ASP 74 61.426 -0.108 -5.723
4 HB2 ASP 74 HG2 ASP 74 59.809 0.471 -6.127
No H/Q in entry = 4
Start of MODEL 9
1 H ILE 75 H ILE 75 60.185 0.365 -1.786
2 HB ILE 75 HG12 ILE 75 62.506 1.853 -0.388
3 HG12 ILE 75 HG13 ILE 75 62.693 -0.140 1.874
4 HG13 ILE 75 HG21 ILE 75 64.035 0.121 0.761
5 HG21 ILE 75 HG22 ILE 75 60.081 1.454 -0.055
6 HG22 ILE 75 HG23 ILE 75 60.457 0.316 1.239
7 HD11 ILE 75 HD12 ILE 75 63.641 2.657 1.306
8 HD12 ILE 75 HD13 ILE 75 62.820 2.032 2.736
9 HG23 ILE 75 HXT ILE 75 60.855 2.025 1.422
10 HD13 ILE 75 HXT ILE 75 64.519 1.652 2.460
11 HA ILE 75 HB1 ILE 75 63.064 -0.355 -1.373
No H/Q in entry = 11
Start of MODEL 9
1 H ARG 76 H ARG 76 63.338 -2.341 -0.350
2 HB2 ARG 76 HG2 ARG 76 62.471 -4.700 -1.339
3 HB3 ARG 76 HG3 ARG 76 61.403 -5.654 -0.310
4 HG2 ARG 76 HD2 ARG 76 59.609 -3.907 -0.735
5 HG3 ARG 76 HD3 ARG 76 60.677 -3.223 -1.961
6 HD2 ARG 76 HD3 ARG 76 59.784 -6.127 -1.953
7 HE ARG 76 HH12 ARG 76 61.899 -4.898 -3.272
8 HH11 ARG 76 HH21 ARG 76 58.880 -6.334 -4.310
9 HH12 ARG 76 HH22 ARG 76 59.517 -6.798 -5.849
10 HD3 ARG 76 HXT ARG 76 59.006 -4.853 -2.911
11 HH21 ARG 76 HXT ARG 76 62.677 -5.517 -5.272
12 HH22 ARG 76 H1 ARG 76 61.642 -6.341 -6.390
13 HA ARG 76 HB1 ARG 76 61.049 -3.580 1.096
No H/Q in entry = 13
Start of MODEL 9
1 H VAL 77 H VAL 77 61.726 -5.104 2.654
2 HB VAL 77 HG12 VAL 77 62.165 -6.384 4.644
3 HG11 VAL 77 HG12 VAL 77 64.994 -5.906 5.602
4 HG12 VAL 77 HG13 VAL 77 63.664 -6.207 6.721
5 HG13 VAL 77 HG21 VAL 77 64.111 -7.431 5.534
6 HG21 VAL 77 HG22 VAL 77 63.478 -3.689 5.103
7 HG22 VAL 77 HG23 VAL 77 61.813 -3.998 4.610
8 HG23 VAL 77 HXT VAL 77 62.343 -4.416 6.240
9 HA VAL 77 HB1 VAL 77 64.586 -5.033 3.388
No H/Q in entry = 9
Start of MODEL 9
1 H VAL 78 H VAL 78 65.955 -6.877 3.401
2 HB VAL 78 HG12 VAL 78 67.805 -8.292 2.770
3 HG11 VAL 78 HG12 VAL 78 67.634 -10.658 1.986
4 HG12 VAL 78 HG13 VAL 78 67.178 -10.066 0.388
5 HG13 VAL 78 HG21 VAL 78 68.780 -9.712 1.036
6 HG21 VAL 78 HG22 VAL 78 66.818 -6.534 1.287
7 HG22 VAL 78 HG23 VAL 78 68.293 -7.234 0.620
8 HG23 VAL 78 HXT VAL 78 66.721 -7.726 -0.010
9 HA VAL 78 HB1 VAL 78 65.130 -9.032 1.523
No H/Q in entry = 9
Start of MODEL 9
1 H ASN 79 H ASN 79 64.777 -11.120 2.211
2 HD21 ASN 79 HD22 ASN 79 63.089 -12.259 6.452
3 HD22 ASN 79 HXT ASN 79 62.891 -13.855 6.996
4 HA ASN 79 HB1 ASN 79 65.157 -11.728 5.115
5 HB3 ASN 79 HG3 ASN 79 63.529 -13.160 2.991
6 HB2 ASN 79 HG2 ASN 79 62.896 -11.851 3.989
No H/Q in entry = 6
Start of MODEL 9
1 H ASN 80 H ASN 80 66.789 -13.119 5.652
2 HD21 ASN 80 HD22 ASN 80 69.815 -13.579 2.845
3 HD22 ASN 80 HXT ASN 80 70.291 -11.954 2.952
4 HA ASN 80 HB1 ASN 80 68.173 -14.626 3.482
5 HB3 ASN 80 HG3 ASN 80 69.932 -14.808 5.292
6 HB2 ASN 80 HG2 ASN 80 68.876 -13.849 6.329
No H/Q in entry = 6
Start of MODEL 9
1 H HIS 81 H HIS 81 68.564 -16.890 3.705
2 HD1 HIS 81 HD2 HIS 81 64.763 -19.835 5.396
3 HD2 HIS 81 HE1 HIS 81 67.405 -21.822 2.856
4 HE1 HIS 81 HE2 HIS 81 64.180 -22.295 5.537
5 HA HIS 81 HB1 HIS 81 66.881 -18.293 5.762
6 HB3 HIS 81 HG3 HIS 81 67.574 -19.080 2.920
7 HB2 HIS 81 HG2 HIS 81 66.060 -18.344 3.411
No H/Q in entry = 7
Start of MODEL 9
1 H THR 82 H THR 82 67.723 -20.501 6.302
2 HG1 THR 82 HG21 THR 82 68.078 -23.157 8.182
3 HG21 THR 82 HG22 THR 82 69.941 -19.978 8.806
4 HG22 THR 82 HG23 THR 82 68.198 -20.225 8.709
5 HG23 THR 82 HXT THR 82 69.165 -21.197 9.819
6 HA THR 82 HB1 THR 82 70.656 -20.440 6.653
7 HB THR 82 HG12 THR 82 70.123 -22.454 8.069
No H/Q in entry = 7
Start of MODEL 9
1 H LEU 83 H LEU 83 71.969 -22.361 6.097
2 HD11 LEU 83 HD12 LEU 83 73.619 -20.445 3.019
3 HD12 LEU 83 HD13 LEU 83 74.104 -21.482 1.678
4 HD13 LEU 83 HD21 LEU 83 72.830 -20.285 1.450
5 HD21 LEU 83 HD22 LEU 83 72.577 -23.374 0.944
6 HD22 LEU 83 HD23 LEU 83 70.948 -23.453 1.615
7 HG LEU 83 HXT LEU 83 71.383 -21.511 3.021
8 HD23 LEU 83 HXT LEU 83 71.412 -22.100 0.583
9 HA LEU 83 HB1 LEU 83 70.898 -23.893 3.744
10 HB3 LEU 83 HG3 LEU 83 73.407 -23.738 3.051
11 HB2 LEU 83 HG2 LEU 83 73.497 -22.442 4.245
No H/Q in entry = 11
Start of MODEL 9
1 HB2 PRO 84 HG2 PRO 84 73.404 -29.007 3.745
2 HB3 PRO 84 HG3 PRO 84 71.655 -28.840 3.986
3 HG2 PRO 84 HD2 PRO 84 73.444 -27.434 2.078
4 HG3 PRO 84 HD3 PRO 84 71.777 -27.990 1.867
5 HD2 PRO 84 HD3 PRO 84 72.444 -25.390 2.319
6 HD3 PRO 84 HXT PRO 84 70.889 -26.101 2.806
7 HA PRO 84 HB1 PRO 84 72.267 -27.549 5.794
No H/Q in entry = 7
Start of MODEL 10
1 H1 GLY -3 H1 GLY -3 64.709 -6.870 28.371
2 H2 GLY -3 H2 GLY -3 64.142 -7.904 27.147
3 H3 GLY -3 H3 GLY -3 65.702 -8.114 27.785
4 HA2 GLY -3 HA3 GLY -3 65.582 -7.004 25.546
5 HA3 GLY -3 HXT GLY -3 66.515 -6.168 26.788
No H/Q in entry = 5
Start of MODEL 10
1 H ALA -2 H ALA -2 62.980 -6.416 26.354
2 HA ALA -2 HB1 ALA -2 62.861 -3.484 25.795
3 HB1 ALA -2 HB2 ALA -2 61.196 -5.909 25.244
4 HB2 ALA -2 HB3 ALA -2 61.649 -4.595 24.158
5 HB3 ALA -2 HXT ALA -2 60.374 -4.352 25.351
No H/Q in entry = 5
Start of MODEL 10
1 H MET -1 H MET -1 61.655 -2.110 27.144
2 HB2 MET -1 HG2 MET -1 61.743 -0.531 28.891
3 HB3 MET -1 HG3 MET -1 60.053 -0.545 28.386
4 HE1 MET -1 HE2 MET -1 59.845 -0.293 33.093
5 HE2 MET -1 HE3 MET -1 60.584 -1.884 33.270
6 HE3 MET -1 HXT MET -1 61.348 -0.478 34.008
7 HA MET -1 HB1 MET -1 61.358 -2.813 29.924
8 HG3 MET -1 HD3 MET -1 59.522 -1.036 30.872
9 HG2 MET -1 HD2 MET -1 60.011 0.604 30.449
No H/Q in entry = 9
Start of MODEL 10
1 H ALA 0 H ALA 0 59.077 -2.681 27.207
2 HA ALA 0 HB1 ALA 0 57.077 -4.142 28.883
3 HB1 ALA 0 HB2 ALA 0 56.297 -1.914 27.009
4 HB2 ALA 0 HB3 ALA 0 56.807 -1.554 28.658
5 HB3 ALA 0 HXT ALA 0 55.394 -2.570 28.373
No H/Q in entry = 5
Start of MODEL 10
1 H MET 1 H MET 1 57.449 -2.809 25.569
2 HB2 MET 1 HG2 MET 1 56.507 -2.600 23.411
3 HB3 MET 1 HG3 MET 1 55.985 -3.998 22.471
4 HE1 MET 1 HE2 MET 1 53.455 -4.854 22.229
5 HE2 MET 1 HE3 MET 1 52.423 -3.776 21.293
6 HE3 MET 1 HXT MET 1 54.164 -3.765 21.029
7 HA MET 1 HB1 MET 1 56.512 -5.440 24.478
8 HG3 MET 1 HD3 MET 1 54.776 -3.012 25.069
9 HG2 MET 1 HD2 MET 1 54.318 -4.516 24.271
No H/Q in entry = 9
Start of MODEL 10
1 H SER 2 H SER 2 57.910 -6.598 23.186
2 HG SER 2 HXT SER 2 58.736 -8.532 23.189
3 HA SER 2 HB1 SER 2 60.585 -5.385 22.595
4 HB3 SER 2 HG3 SER 2 60.380 -7.403 24.076
5 HB2 SER 2 HG2 SER 2 61.360 -7.694 22.642
No H/Q in entry = 5
Start of MODEL 10
1 H GLY 3 H GLY 3 58.076 -5.093 20.918
2 HA2 GLY 3 HA3 GLY 3 57.719 -6.620 18.711
3 HA3 GLY 3 HXT GLY 3 59.287 -5.895 18.354
No H/Q in entry = 3
Start of MODEL 10
1 H GLY 4 H GLY 4 58.759 -3.352 19.603
2 HA2 GLY 4 HA3 GLY 4 57.361 -1.407 19.369
3 HA3 GLY 4 HXT GLY 4 56.389 -2.278 18.182
No H/Q in entry = 3
Start of MODEL 10
1 H LEU 5 H LEU 5 59.832 -1.324 18.534
2 HD11 LEU 5 HD12 LEU 5 62.171 0.966 19.756
3 HD12 LEU 5 HD13 LEU 5 62.868 2.220 18.728
4 HD13 LEU 5 HD21 LEU 5 61.502 2.599 19.779
5 HD21 LEU 5 HD22 LEU 5 61.860 2.603 16.445
6 HD22 LEU 5 HD23 LEU 5 60.111 2.414 16.323
7 HG LEU 5 HXT LEU 5 59.998 1.302 18.451
8 HD23 LEU 5 HXT LEU 5 60.797 3.529 17.505
9 HA LEU 5 HB1 LEU 5 59.734 0.287 16.086
10 HB3 LEU 5 HG3 LEU 5 62.260 0.401 16.674
11 HB2 LEU 5 HG2 LEU 5 61.823 -0.518 18.116
No H/Q in entry = 11
Start of MODEL 10
1 HB2 PRO 6 HG2 PRO 6 62.473 -1.425 11.473
2 HB3 PRO 6 HG3 PRO 6 60.700 -1.436 11.507
3 HG2 PRO 6 HD2 PRO 6 62.599 0.583 12.570
4 HG3 PRO 6 HD3 PRO 6 61.021 0.809 11.801
5 HD2 PRO 6 HD3 PRO 6 61.423 0.987 14.489
6 HD3 PRO 6 HXT PRO 6 59.878 0.502 13.758
7 HA PRO 6 HB1 PRO 6 60.987 -2.897 13.268
No H/Q in entry = 7
Start of MODEL 10
1 H GLU 7 H GLU 7 62.894 -4.138 12.680
2 HB2 GLU 7 HG2 GLU 7 64.706 -5.380 11.844
3 HB3 GLU 7 HG3 GLU 7 66.008 -5.796 12.959
4 HA GLU 7 HB1 GLU 7 65.037 -4.136 14.592
5 HG3 GLU 7 HD3 GLU 7 63.035 -6.106 13.474
6 HG2 GLU 7 HD2 GLU 7 64.295 -6.419 14.667
No H/Q in entry = 6
Start of MODEL 10
1 H LEU 8 H LEU 8 66.312 -2.275 14.664
2 HD11 LEU 8 HD12 LEU 8 67.992 1.632 16.111
3 HD12 LEU 8 HD13 LEU 8 66.290 1.585 16.571
4 HD13 LEU 8 HD21 LEU 8 67.341 0.219 16.942
5 HD21 LEU 8 HD22 LEU 8 67.355 2.030 13.650
6 HD22 LEU 8 HD23 LEU 8 66.086 1.024 12.953
7 HG LEU 8 HXT LEU 8 65.922 -0.282 14.991
8 HD23 LEU 8 HXT LEU 8 65.710 2.127 14.276
9 HA LEU 8 HB1 LEU 8 67.106 -0.673 12.420
10 HB3 LEU 8 HG3 LEU 8 68.768 0.210 14.080
11 HB2 LEU 8 HG2 LEU 8 68.320 -1.106 15.167
No H/Q in entry = 11
Start of MODEL 10
1 H GLY 9 H GLY 9 69.116 -0.623 11.280
2 HA2 GLY 9 HA3 GLY 9 71.251 -2.529 11.836
3 HA3 GLY 9 HXT GLY 9 71.194 -1.376 10.522
No H/Q in entry = 3
Start of MODEL 10
1 H SER 10 H SER 10 68.311 -3.019 10.305
2 HG SER 10 HXT SER 10 66.501 -6.034 10.106
3 HA SER 10 HB1 SER 10 69.010 -5.538 9.150
4 HB3 SER 10 HG3 SER 10 66.718 -5.300 8.119
5 HB2 SER 10 HG2 SER 10 66.682 -3.645 8.718
No H/Q in entry = 5
Start of MODEL 10
1 H LYS 11 H LYS 11 69.368 -6.136 6.964
2 HB2 LYS 11 HG2 LYS 11 71.112 -5.978 3.831
3 HB3 LYS 11 HG3 LYS 11 71.463 -6.333 5.519
4 HG2 LYS 11 HG3 LYS 11 69.199 -7.510 5.618
5 HG3 LYS 11 HD2 LYS 11 69.140 -7.347 3.864
6 HD2 LYS 11 HD3 LYS 11 71.472 -8.624 5.304
7 HE2 LYS 11 HE3 LYS 11 70.504 -8.589 2.421
8 HE3 LYS 11 HZ1 LYS 11 72.017 -7.909 3.053
9 HZ1 LYS 11 HZ2 LYS 11 72.637 -10.131 3.817
10 HZ2 LYS 11 HZ3 LYS 11 71.218 -10.772 3.145
11 HD3 LYS 11 HXT LYS 11 70.087 -9.549 4.726
12 HZ3 LYS 11 HXT LYS 11 72.409 -10.105 2.134
13 HA LYS 11 HB1 LYS 11 70.479 -4.059 5.212
No H/Q in entry = 13
Start of MODEL 10
1 H ILE 12 H ILE 12 69.301 -2.951 3.720
2 HB ILE 12 HG12 ILE 12 67.500 -1.235 3.272
3 HG12 ILE 12 HG13 ILE 12 65.467 -2.952 4.733
4 HG13 ILE 12 HG21 ILE 12 67.114 -2.695 5.310
5 HG21 ILE 12 HG22 ILE 12 65.875 -1.534 1.402
6 HG22 ILE 12 HG23 ILE 12 64.813 -2.420 2.495
7 HD11 ILE 12 HD12 ILE 12 66.684 -0.224 5.267
8 HD12 ILE 12 HD13 ILE 12 65.003 -0.566 4.855
9 HG23 ILE 12 HXT ILE 12 65.153 -0.715 2.785
10 HD13 ILE 12 HXT ILE 12 65.655 -1.091 6.408
11 HA ILE 12 HB1 ILE 12 66.703 -4.130 2.782
No H/Q in entry = 11
Start of MODEL 10
1 H SER 13 H SER 13 66.302 -4.050 0.578
2 HG SER 13 HXT SER 13 66.969 -3.868 -3.580
3 HA SER 13 HB1 SER 13 68.486 -3.077 -1.206
4 HB3 SER 13 HG3 SER 13 66.059 -4.830 -1.728
5 HB2 SER 13 HG2 SER 13 67.661 -5.439 -1.328
No H/Q in entry = 5
Start of MODEL 10
1 H LEU 14 H LEU 14 68.038 -1.453 -2.729
2 HD11 LEU 14 HD12 LEU 14 65.420 1.485 -0.035
3 HD12 LEU 14 HD13 LEU 14 64.575 2.904 -0.654
4 HD13 LEU 14 HD21 LEU 14 64.370 1.341 -1.445
5 HD21 LEU 14 HD22 LEU 14 67.756 3.032 -0.496
6 HD22 LEU 14 HD23 LEU 14 67.642 3.919 -2.017
7 HG LEU 14 HXT LEU 14 65.895 2.577 -2.817
8 HD23 LEU 14 HXT LEU 14 66.415 4.143 -0.771
9 HA LEU 14 HB1 LEU 14 65.381 -0.090 -2.480
10 HB3 LEU 14 HG3 LEU 14 68.056 1.316 -2.477
11 HB2 LEU 14 HG2 LEU 14 67.375 0.672 -0.984
No H/Q in entry = 11
Start of MODEL 10
1 H ILE 15 H ILE 15 64.574 0.366 -4.502
2 HB ILE 15 HG12 ILE 15 63.446 -0.051 -6.625
3 HG12 ILE 15 HG13 ILE 15 65.586 -2.110 -7.238
4 HG13 ILE 15 HG21 ILE 15 64.952 -1.850 -5.615
5 HG21 ILE 15 HG22 ILE 15 64.251 0.858 -8.819
6 HG22 ILE 15 HG23 ILE 15 65.312 -0.543 -8.969
7 HD11 ILE 15 HD12 ILE 15 62.615 -2.138 -6.745
8 HD12 ILE 15 HD13 ILE 15 63.527 -2.900 -8.048
9 HG23 ILE 15 HXT ILE 15 63.562 -0.760 -8.953
10 HD13 ILE 15 HXT ILE 15 63.583 -3.576 -6.420
11 HA ILE 15 HB1 ILE 15 66.461 0.342 -6.831
No H/Q in entry = 11
Start of MODEL 10
1 H SER 16 H SER 16 66.943 2.351 -7.605
2 HG SER 16 HXT SER 16 67.992 3.752 -6.089
3 HA SER 16 HB1 SER 16 65.251 4.682 -6.903
4 HB3 SER 16 HG3 SER 16 67.238 5.910 -7.768
5 HB2 SER 16 HG2 SER 16 67.959 4.370 -8.220
No H/Q in entry = 5
Start of MODEL 10
1 H LYS 17 H LYS 17 64.695 6.278 -8.583
2 HB2 LYS 17 HG2 LYS 17 64.237 7.893 -9.978
3 HB3 LYS 17 HG3 LYS 17 63.316 7.686 -11.468
4 HG2 LYS 17 HG3 LYS 17 61.458 6.685 -10.133
5 HG3 LYS 17 HD2 LYS 17 62.367 7.034 -8.663
6 HD2 LYS 17 HD3 LYS 17 62.312 9.418 -9.133
7 HE2 LYS 17 HE3 LYS 17 59.553 8.221 -9.596
8 HE3 LYS 17 HZ1 LYS 17 60.321 8.413 -8.008
9 HZ1 LYS 17 HZ2 LYS 17 59.850 10.604 -9.962
10 HZ2 LYS 17 HZ3 LYS 17 58.922 10.328 -8.565
11 HD3 LYS 17 HXT LYS 17 61.549 9.128 -10.696
12 HZ3 LYS 17 HXT LYS 17 60.553 10.771 -8.425
13 HA LYS 17 HB1 LYS 17 63.116 5.195 -10.649
No H/Q in entry = 13
Start of MODEL 10
1 H ALA 18 H ALA 18 66.549 5.640 -10.739
2 HA ALA 18 HB1 ALA 18 66.683 5.834 -13.681
3 HB1 ALA 18 HB2 ALA 18 69.164 5.691 -13.135
4 HB2 ALA 18 HB3 ALA 18 68.320 7.029 -12.353
5 HB3 ALA 18 HXT ALA 18 68.710 5.574 -11.432
No H/Q in entry = 5
Start of MODEL 10
1 H ASP 19 H ASP 19 65.565 3.391 -12.059
2 HA ASP 19 HB1 ASP 19 65.640 1.049 -12.141
3 HB3 ASP 19 HG3 ASP 19 66.416 0.160 -14.340
4 HB2 ASP 19 HG2 ASP 19 67.066 1.747 -14.735
No H/Q in entry = 4
Start of MODEL 10
1 H ILE 20 H ILE 20 67.748 2.449 -10.716
2 HB ILE 20 HG12 ILE 20 69.858 3.162 -9.474
3 HG12 ILE 20 HG13 ILE 20 71.034 2.852 -12.260
4 HG13 ILE 20 HG21 ILE 20 69.466 3.569 -11.920
5 HG21 ILE 20 HG22 ILE 20 72.132 1.358 -10.307
6 HG22 ILE 20 HG23 ILE 20 72.432 3.049 -9.902
7 HD11 ILE 20 HD12 ILE 20 70.755 5.147 -10.320
8 HD12 ILE 20 HD13 ILE 20 72.194 4.614 -11.189
9 HG23 ILE 20 HXT ILE 20 71.735 1.965 -8.699
10 HD13 ILE 20 HXT ILE 20 70.897 5.436 -12.053
11 HA ILE 20 HB1 ILE 20 70.109 0.642 -11.157
No H/Q in entry = 11
Start of MODEL 10
1 H ARG 21 H ARG 21 70.831 -0.665 -9.419
2 HB2 ARG 21 HG2 ARG 21 69.378 -2.852 -8.779
3 HB3 ARG 21 HG3 ARG 21 71.035 -2.851 -8.173
4 HG2 ARG 21 HD2 ARG 21 70.293 -3.401 -5.941
5 HG3 ARG 21 HD3 ARG 21 68.603 -3.187 -6.398
6 HD2 ARG 21 HD3 ARG 21 69.094 -5.578 -6.388
7 HE ARG 21 HH12 ARG 21 71.658 -4.816 -7.128
8 HH11 ARG 21 HH21 ARG 21 69.297 -7.023 -8.472
9 HH12 ARG 21 HH22 ARG 21 70.505 -8.052 -9.159
10 HD3 ARG 21 HXT ARG 21 68.910 -5.066 -8.076
11 HH21 ARG 21 HXT ARG 21 73.182 -6.175 -8.033
12 HH22 ARG 21 H1 ARG 21 72.680 -7.579 -8.914
13 HA ARG 21 HB1 ARG 21 68.876 -0.962 -7.172
No H/Q in entry = 13
Start of MODEL 10
1 H TYR 22 H TYR 22 69.531 -0.038 -5.310
2 HD1 TYR 22 HD2 TYR 22 73.526 2.833 -4.126
3 HD2 TYR 22 HE1 TYR 22 69.682 2.510 -6.082
4 HE1 TYR 22 HE2 TYR 22 74.260 4.489 -5.842
5 HE2 TYR 22 HH TYR 22 70.417 4.167 -7.805
6 HH TYR 22 HXT TYR 22 72.294 6.161 -7.756
7 HA TYR 22 HB1 TYR 22 72.442 -0.007 -4.590
8 HB3 TYR 22 HG3 TYR 22 71.601 1.800 -3.005
9 HB2 TYR 22 HG2 TYR 22 70.048 1.668 -3.801
No H/Q in entry = 9
Start of MODEL 10
1 H GLU 23 H GLU 23 72.969 -0.768 -2.448
2 HB2 GLU 23 HG2 GLU 23 71.705 -3.598 -2.291
3 HB3 GLU 23 HG3 GLU 23 73.256 -3.345 -1.490
4 HA GLU 23 HB1 GLU 23 70.719 -1.835 -0.786
5 HG3 GLU 23 HD3 GLU 23 70.681 -4.267 -0.180
6 HG2 GLU 23 HD2 GLU 23 72.167 -3.894 0.694
No H/Q in entry = 6
Start of MODEL 10
1 H GLY 24 H GLY 24 71.131 -1.610 1.444
2 HA2 GLY 24 HA3 GLY 24 72.852 0.409 2.321
3 HA3 GLY 24 HXT GLY 24 73.790 -1.073 2.491
No H/Q in entry = 3
Start of MODEL 10
1 H ARG 25 H ARG 25 73.605 -0.208 4.824
2 HB2 ARG 25 HG2 ARG 25 73.875 -0.053 7.097
3 HB3 ARG 25 HG3 ARG 25 72.882 -0.990 8.213
4 HG2 ARG 25 HD2 ARG 25 73.465 -3.057 6.944
5 HG3 ARG 25 HD3 ARG 25 74.534 -2.094 5.923
6 HD2 ARG 25 HD3 ARG 25 75.767 -1.382 8.016
7 HE ARG 25 HH12 ARG 25 76.947 -3.183 7.024
8 HH11 ARG 25 HH21 ARG 25 73.969 -4.349 8.446
9 HH12 ARG 25 HH22 ARG 25 74.370 -6.007 8.168
10 HD3 ARG 25 HXT ARG 25 74.801 -2.573 8.909
11 HH21 ARG 25 HXT ARG 25 77.421 -5.341 6.685
12 HH22 ARG 25 H1 ARG 25 76.301 -6.565 7.183
13 HA ARG 25 HB1 ARG 25 71.550 -1.794 6.226
No H/Q in entry = 13
Start of MODEL 10
1 H LEU 26 H LEU 26 69.710 -0.943 7.161
2 HD11 LEU 26 HD12 LEU 26 66.861 1.938 6.268
3 HD12 LEU 26 HD13 LEU 26 65.324 1.176 6.679
4 HD13 LEU 26 HD21 LEU 26 65.646 2.838 7.175
5 HD21 LEU 26 HD22 LEU 26 66.054 0.040 9.902
6 HD22 LEU 26 HD23 LEU 26 65.010 1.442 9.665
7 HG LEU 26 HXT LEU 26 67.104 2.190 8.877
8 HD23 LEU 26 HXT LEU 26 64.958 0.100 8.521
9 HA LEU 26 HB1 LEU 26 68.824 1.759 6.793
10 HB3 LEU 26 HG3 LEU 26 68.001 -0.234 8.919
11 HB2 LEU 26 HG2 LEU 26 67.477 -0.318 7.238
No H/Q in entry = 11
Start of MODEL 10
1 H TYR 27 H TYR 27 69.755 3.537 7.817
2 HD1 TYR 27 HD2 TYR 27 72.976 3.762 11.261
3 HD2 TYR 27 HE1 TYR 27 71.903 7.511 9.392
4 HE1 TYR 27 HE2 TYR 27 74.336 4.993 12.952
5 HE2 TYR 27 HH TYR 27 73.264 8.742 11.086
6 HH TYR 27 HXT TYR 27 74.093 8.319 13.448
7 HA TYR 27 HB1 TYR 27 70.988 3.198 10.511
8 HB3 TYR 27 HG3 TYR 27 70.998 5.524 8.574
9 HB2 TYR 27 HG2 TYR 27 72.187 4.234 8.565
No H/Q in entry = 9
Start of MODEL 10
1 H THR 28 H THR 28 68.720 5.395 8.803
2 HG1 THR 28 HG21 THR 28 68.457 8.579 9.141
3 HG21 THR 28 HG22 THR 28 68.562 6.771 12.742
4 HG22 THR 28 HG23 THR 28 69.998 6.840 11.719
5 HG23 THR 28 HXT THR 28 69.347 8.319 12.426
6 HA THR 28 HB1 THR 28 67.149 5.747 11.289
7 HB THR 28 HG12 THR 28 67.452 8.291 10.999
No H/Q in entry = 7
Start of MODEL 10
1 H VAL 29 H VAL 29 65.091 6.808 10.868
2 HB VAL 29 HG12 VAL 29 63.991 4.870 8.588
3 HG11 VAL 29 HG12 VAL 29 63.594 5.267 11.030
4 HG12 VAL 29 HG13 VAL 29 62.017 5.945 10.625
5 HG13 VAL 29 HG21 VAL 29 62.363 4.250 10.283
6 HG21 VAL 29 HG22 VAL 29 61.698 6.716 7.999
7 HG22 VAL 29 HG23 VAL 29 62.480 5.537 6.948
8 HG23 VAL 29 HXT VAL 29 61.379 4.996 8.214
9 HA VAL 29 HB1 VAL 29 64.392 7.257 8.007
No H/Q in entry = 9
Start of MODEL 10
1 H ASP 30 H ASP 30 62.697 8.765 7.735
2 HA ASP 30 HB1 ASP 30 61.481 9.897 10.234
3 HB3 ASP 30 HG3 ASP 30 62.120 11.516 7.776
4 HB2 ASP 30 HG2 ASP 30 63.393 11.154 8.944
No H/Q in entry = 4
Start of MODEL 10
1 HB2 PRO 31 HG2 PRO 31 56.129 8.697 9.477
2 HB3 PRO 31 HG3 PRO 31 57.125 7.242 9.294
3 HG2 PRO 31 HD2 PRO 31 57.385 9.478 11.225
4 HG3 PRO 31 HD3 PRO 31 57.701 7.751 11.443
5 HD2 PRO 31 HD3 PRO 31 59.676 9.572 11.136
6 HD3 PRO 31 HXT PRO 31 59.822 7.891 10.578
7 HA PRO 31 HB1 PRO 31 58.118 8.365 7.559
No H/Q in entry = 7
Start of MODEL 10
1 H GLN 32 H GLN 32 57.983 11.292 9.587
2 HB2 GLN 32 HG2 GLN 32 57.495 13.459 10.284
3 HB3 GLN 32 HG3 GLN 32 56.048 14.287 9.710
4 HE21 GLN 32 HE22 GLN 32 53.686 12.646 12.504
5 HE22 GLN 32 HXT GLN 32 54.385 13.593 13.726
6 HA GLN 32 HB1 GLN 32 55.648 12.347 8.141
7 HG3 GLN 32 HD3 GLN 32 56.099 11.522 10.956
8 HG2 GLN 32 HD2 GLN 32 54.659 12.381 10.409
No H/Q in entry = 8
Start of MODEL 10
1 H GLU 33 H GLU 33 59.143 12.748 8.033
2 HB2 GLU 33 HG2 GLU 33 61.222 13.252 7.187
3 HB3 GLU 33 HG3 GLU 33 61.471 14.605 6.084
4 HA GLU 33 HB1 GLU 33 58.976 14.977 6.105
5 HG3 GLU 33 HD3 GLU 33 60.242 14.736 8.852
6 HG2 GLU 33 HD2 GLU 33 60.317 16.096 7.734
No H/Q in entry = 6
Start of MODEL 10
1 H CYS 34 H CYS 34 58.311 11.717 5.787
2 HG CYS 34 HXT CYS 34 56.123 10.622 2.993
3 HA CYS 34 HB1 CYS 34 58.457 10.135 4.045
4 HB3 CYS 34 HG3 CYS 34 58.324 11.360 1.760
5 HB2 CYS 34 HG2 CYS 34 58.316 12.841 2.717
No H/Q in entry = 5
Start of MODEL 10
1 H THR 35 H THR 35 61.023 10.730 5.224
2 HG1 THR 35 HG21 THR 35 63.336 13.261 5.768
3 HG21 THR 35 HG22 THR 35 61.882 12.862 2.846
4 HG22 THR 35 HG23 THR 35 62.919 14.075 3.598
5 HG23 THR 35 HXT THR 35 63.561 13.026 2.334
6 HA THR 35 HB1 THR 35 62.826 10.501 2.836
7 HB THR 35 HG12 THR 35 64.388 11.999 4.253
No H/Q in entry = 7
Start of MODEL 10
1 H ILE 36 H ILE 36 64.805 9.348 3.287
2 HB ILE 36 HG12 ILE 36 65.350 5.872 4.844
3 HG12 ILE 36 HG13 ILE 36 64.318 7.244 2.346
4 HG13 ILE 36 HG21 ILE 36 66.032 6.930 2.618
5 HG21 ILE 36 HG22 ILE 36 63.065 6.945 5.604
6 HG22 ILE 36 HG23 ILE 36 62.724 6.952 3.874
7 HD11 ILE 36 HD12 ILE 36 65.474 4.504 2.942
8 HD12 ILE 36 HD13 ILE 36 63.812 4.871 2.479
9 HG23 ILE 36 HXT ILE 36 63.071 5.432 4.698
10 HD13 ILE 36 HXT ILE 36 65.120 5.096 1.318
11 HA ILE 36 HB1 ILE 36 65.048 8.080 5.976
No H/Q in entry = 11
Start of MODEL 10
1 H ALA 37 H ALA 37 67.230 7.151 6.313
2 HA ALA 37 HB1 ALA 37 69.294 8.020 4.329
3 HB1 ALA 37 HB2 ALA 37 68.816 9.456 6.532
4 HB2 ALA 37 HB3 ALA 37 70.463 9.205 5.949
5 HB3 ALA 37 HXT ALA 37 69.835 8.219 7.270
No H/Q in entry = 5
Start of MODEL 10
1 H LEU 38 H LEU 38 70.635 6.351 3.848
2 HD11 LEU 38 HD12 LEU 38 69.408 3.744 1.165
3 HD12 LEU 38 HD13 LEU 38 69.416 2.085 1.768
4 HD13 LEU 38 HD21 LEU 38 67.911 3.005 1.736
5 HD21 LEU 38 HD22 LEU 38 69.452 1.787 4.470
6 HD22 LEU 38 HD23 LEU 38 68.550 3.079 5.264
7 HG LEU 38 HXT LEU 38 68.777 4.535 3.441
8 HD23 LEU 38 HXT LEU 38 67.802 2.151 3.964
9 HA LEU 38 HB1 LEU 38 70.610 3.939 5.627
10 HB3 LEU 38 HG3 LEU 38 71.243 2.774 3.502
11 HB2 LEU 38 HG2 LEU 38 71.177 4.325 2.667
No H/Q in entry = 11
Start of MODEL 10
1 H SER 39 H SER 39 72.639 2.985 6.168
2 HG SER 39 HXT SER 39 75.039 2.119 8.333
3 HA SER 39 HB1 SER 39 75.032 4.720 5.619
4 HB3 SER 39 HG3 SER 39 74.134 4.713 7.955
5 HB2 SER 39 HG2 SER 39 75.761 4.044 7.869
No H/Q in entry = 5
Start of MODEL 10
1 H SER 40 H SER 40 77.064 3.534 5.367
2 HG SER 40 HXT SER 40 76.671 -1.111 5.953
3 HA SER 40 HB1 SER 40 78.233 1.958 4.052
4 HB3 SER 40 HG3 SER 40 78.004 1.043 6.430
5 HB2 SER 40 HG2 SER 40 78.358 -0.148 5.186
No H/Q in entry = 5
Start of MODEL 10
1 H VAL 41 H VAL 41 77.085 2.390 2.076
2 HB VAL 41 HG12 VAL 41 73.990 2.229 1.879
3 HG11 VAL 41 HG12 VAL 41 75.845 3.824 1.327
4 HG12 VAL 41 HG13 VAL 41 75.490 3.564 -0.385
5 HG13 VAL 41 HG21 VAL 41 74.280 4.303 0.665
6 HG21 VAL 41 HG22 VAL 41 74.037 1.177 -0.909
7 HG22 VAL 41 HG23 VAL 41 72.725 1.193 0.267
8 HG23 VAL 41 HXT VAL 41 73.113 2.654 -0.639
9 HA VAL 41 HB1 VAL 41 75.256 0.178 1.239
No H/Q in entry = 9
Start of MODEL 10
1 H ARG 42 H ARG 42 75.469 -0.406 -0.964
2 HB2 ARG 42 HG2 ARG 42 78.303 -1.176 -1.373
3 HB3 ARG 42 HG3 ARG 42 77.107 -2.012 -2.363
4 HG2 ARG 42 HD2 ARG 42 78.293 -0.923 -4.383
5 HG3 ARG 42 HD3 ARG 42 79.611 -0.587 -3.260
6 HD2 ARG 42 HD3 ARG 42 78.442 -3.355 -3.729
7 HE ARG 42 HH12 ARG 42 79.899 -2.418 -1.574
8 HH11 ARG 42 HH21 ARG 42 80.633 -4.623 -4.192
9 HH12 ARG 42 HH22 ARG 42 81.774 -5.515 -3.249
10 HD3 ARG 42 HXT ARG 42 79.933 -2.753 -4.477
11 HH21 ARG 42 HXT ARG 42 81.379 -3.604 -0.395
12 HH22 ARG 42 H1 ARG 42 82.193 -4.949 -1.125
13 HA ARG 42 HB1 ARG 42 77.620 0.975 -2.532
No H/Q in entry = 13
Start of MODEL 10
1 H SER 43 H SER 43 77.271 0.922 -4.833
2 HG SER 43 HXT SER 43 76.983 2.940 -7.188
3 HA SER 43 HB1 SER 43 74.517 0.105 -5.690
4 HB3 SER 43 HG3 SER 43 75.295 2.496 -5.903
5 HB2 SER 43 HG2 SER 43 74.843 1.770 -7.443
No H/Q in entry = 5
Start of MODEL 10
1 H PHE 44 H PHE 44 74.322 -1.483 -7.289
2 HD1 PHE 44 HD2 PHE 44 76.168 -5.970 -7.158
3 HD2 PHE 44 HE1 PHE 44 73.061 -3.182 -6.028
4 HE1 PHE 44 HE2 PHE 44 75.983 -7.079 -4.930
5 HE2 PHE 44 HZ PHE 44 72.877 -4.292 -3.801
6 HZ PHE 44 HXT PHE 44 74.337 -6.240 -3.251
7 HA PHE 44 HB1 PHE 44 76.727 -3.136 -7.667
8 HB3 PHE 44 HG3 PHE 44 74.946 -4.582 -8.840
9 HB2 PHE 44 HG2 PHE 44 73.794 -3.364 -8.322
No H/Q in entry = 9
Start of MODEL 10
1 H GLY 45 H GLY 45 74.490 -1.305 -9.792
2 HA2 GLY 45 HA3 GLY 45 75.941 -1.956 -12.218
3 HA3 GLY 45 HXT GLY 45 76.427 -0.400 -11.557
No H/Q in entry = 3
Start of MODEL 10
1 H THR 46 H THR 46 75.506 0.405 -13.630
2 HG1 THR 46 HG21 THR 46 74.885 2.277 -15.687
3 HG21 THR 46 HG22 THR 46 72.932 2.170 -12.173
4 HG22 THR 46 HG23 THR 46 74.484 2.977 -12.402
5 HG23 THR 46 HXT THR 46 72.992 3.784 -12.880
6 HA THR 46 HB1 THR 46 72.503 0.467 -13.646
7 HB THR 46 HG12 THR 46 72.850 2.642 -14.851
No H/Q in entry = 7
Start of MODEL 10
1 H GLU 47 H GLU 47 75.206 -0.806 -15.268
2 HB2 GLU 47 HG2 GLU 47 76.800 -1.328 -16.783
3 HB3 GLU 47 HG3 GLU 47 75.782 -2.760 -16.926
4 HA GLU 47 HB1 GLU 47 74.979 -0.024 -17.940
5 HG3 GLU 47 HD3 GLU 47 76.842 -1.071 -19.211
6 HG2 GLU 47 HD2 GLU 47 75.714 -2.413 -19.402
No H/Q in entry = 6
Start of MODEL 10
1 H ASP 48 H ASP 48 72.940 -2.315 -16.224
2 HA ASP 48 HB1 ASP 48 72.036 -3.720 -18.630
3 HB3 ASP 48 HG3 ASP 48 70.423 -4.710 -16.961
4 HB2 ASP 48 HG2 ASP 48 71.080 -3.606 -15.753
No H/Q in entry = 4
Start of MODEL 10
1 H ARG 49 H ARG 49 70.331 -1.579 -16.295
2 HB2 ARG 49 HG2 ARG 49 68.505 -0.537 -15.339
3 HB3 ARG 49 HG3 ARG 49 67.023 -0.219 -16.241
4 HG2 ARG 49 HD2 ARG 49 66.893 -2.658 -16.796
5 HG3 ARG 49 HD3 ARG 49 68.288 -2.930 -15.752
6 HD2 ARG 49 HD3 ARG 49 67.001 -1.925 -13.843
7 HE ARG 49 HH12 ARG 49 66.419 -4.456 -15.188
8 HH11 ARG 49 HH21 ARG 49 65.623 -2.445 -12.437
9 HH12 ARG 49 HH22 ARG 49 65.092 -3.786 -11.485
10 HD3 ARG 49 HXT ARG 49 65.583 -1.834 -14.905
11 HH21 ARG 49 HXT ARG 49 65.722 -6.158 -13.921
12 HH22 ARG 49 H1 ARG 49 65.146 -5.866 -12.314
13 HA ARG 49 HB1 ARG 49 68.128 -1.250 -18.259
No H/Q in entry = 13
Start of MODEL 10
1 H ASP 50 H ASP 50 70.959 0.315 -18.053
2 HA ASP 50 HB1 ASP 50 69.962 3.083 -17.761
3 HB3 ASP 50 HG3 ASP 50 72.083 2.333 -16.722
4 HB2 ASP 50 HG2 ASP 50 72.349 3.642 -17.863
No H/Q in entry = 4
Start of MODEL 10
1 H THR 51 H THR 51 70.915 4.681 -19.435
2 HG1 THR 51 HG21 THR 51 69.838 6.707 -19.914
3 HG21 THR 51 HG22 THR 51 69.507 5.834 -23.411
4 HG22 THR 51 HG23 THR 51 69.930 7.475 -22.921
5 HG23 THR 51 HXT THR 51 71.172 6.398 -23.561
6 HA THR 51 HB1 THR 51 69.953 3.967 -22.103
7 HB THR 51 HG12 THR 51 71.468 6.425 -21.186
No H/Q in entry = 7
Start of MODEL 10
1 H GLN 52 H GLN 52 71.385 4.412 -24.041
2 HB2 GLN 52 HG2 GLN 52 73.825 3.026 -26.259
3 HB3 GLN 52 HG3 GLN 52 72.218 2.555 -25.715
4 HE21 GLN 52 HE22 GLN 52 74.044 5.385 -28.168
5 HE22 GLN 52 HXT GLN 52 73.279 4.801 -29.566
6 HA GLN 52 HB1 GLN 52 73.726 2.686 -23.792
7 HG3 GLN 52 HD3 GLN 52 73.000 5.451 -26.102
8 HG2 GLN 52 HD2 GLN 52 71.378 4.774 -25.972
No H/Q in entry = 8
Start of MODEL 10
1 H PHE 53 H PHE 53 73.515 5.855 -22.950
2 HD1 PHE 53 HD2 PHE 53 74.020 6.991 -25.318
3 HD2 PHE 53 HE1 PHE 53 75.168 10.655 -23.314
4 HE1 PHE 53 HE2 PHE 53 73.551 8.283 -27.400
5 HE2 PHE 53 HZ PHE 53 74.699 11.939 -25.401
6 HZ PHE 53 HXT PHE 53 73.891 10.755 -27.443
7 HA PHE 53 HB1 PHE 53 76.187 6.615 -23.984
8 HB3 PHE 53 HG3 PHE 53 75.589 8.546 -22.279
9 HB2 PHE 53 HG2 PHE 53 73.987 7.841 -22.356
No H/Q in entry = 9
Start of MODEL 10
1 H GLN 54 H GLN 54 78.047 6.645 -22.663
2 HB2 GLN 54 HG2 GLN 54 80.085 6.739 -21.501
3 HB3 GLN 54 HG3 GLN 54 80.547 5.354 -20.512
4 HE21 GLN 54 HE22 GLN 54 81.302 6.288 -24.387
5 HE22 GLN 54 HXT GLN 54 82.917 5.810 -24.172
6 HA GLN 54 HB1 GLN 54 78.192 4.484 -20.768
7 HG3 GLN 54 HD3 GLN 54 79.527 5.260 -23.366
8 HG2 GLN 54 HD2 GLN 54 79.864 3.841 -22.374
No H/Q in entry = 8
Start of MODEL 10
1 H ILE 55 H ILE 55 78.208 4.489 -18.534
2 HB ILE 55 HG12 ILE 55 76.836 4.376 -16.422
3 HG12 ILE 55 HG13 ILE 55 75.312 6.859 -17.272
4 HG13 ILE 55 HG21 ILE 55 75.777 5.588 -18.402
5 HG21 ILE 55 HG22 ILE 55 77.387 5.919 -14.485
6 HG22 ILE 55 HG23 ILE 55 76.214 7.057 -15.145
7 HD11 ILE 55 HD12 ILE 55 74.151 5.100 -15.893
8 HD12 ILE 55 HD13 ILE 55 73.448 5.325 -17.495
9 HG23 ILE 55 HXT ILE 55 75.688 5.464 -14.600
10 HD13 ILE 55 HXT ILE 55 74.492 3.940 -17.177
11 HA ILE 55 HB1 ILE 55 77.925 7.133 -17.133
No H/Q in entry = 11
Start of MODEL 10
1 H ALA 56 H ALA 56 79.345 7.501 -15.428
2 HA ALA 56 HB1 ALA 56 81.759 5.940 -15.211
3 HB1 ALA 56 HB2 ALA 56 80.476 8.141 -13.578
4 HB2 ALA 56 HB3 ALA 56 81.794 8.285 -14.741
5 HB3 ALA 56 HXT ALA 56 82.068 7.489 -13.190
No H/Q in entry = 5
Start of MODEL 10
1 HB2 PRO 57 HG2 PRO 57 82.489 1.665 -12.407
2 HB3 PRO 57 HG3 PRO 57 80.971 0.959 -12.990
3 HG2 PRO 57 HD2 PRO 57 82.974 1.666 -14.641
4 HG3 PRO 57 HD3 PRO 57 81.269 1.728 -15.113
5 HD2 PRO 57 HD3 PRO 57 83.102 3.950 -14.359
6 HD3 PRO 57 HXT PRO 57 81.790 3.916 -15.558
7 HA PRO 57 HB1 PRO 57 79.790 2.860 -12.516
No H/Q in entry = 7
Start of MODEL 10
1 H GLN 58 H GLN 58 79.763 2.711 -10.256
2 HB2 GLN 58 HG2 GLN 58 78.964 3.366 -8.166
3 HB3 GLN 58 HG3 GLN 58 79.937 4.301 -7.030
4 HE21 GLN 58 HE22 GLN 58 78.422 7.805 -8.295
5 HE22 GLN 58 HXT GLN 58 76.905 7.467 -7.611
6 HA GLN 58 HB1 GLN 58 81.755 4.384 -8.784
7 HG3 GLN 58 HD3 GLN 58 79.152 5.231 -9.807
8 HG2 GLN 58 HD2 GLN 58 80.046 6.168 -8.609
No H/Q in entry = 8
Start of MODEL 10
1 H SER 59 H SER 59 83.435 3.054 -8.135
2 HG SER 59 HXT SER 59 86.583 1.877 -7.585
3 HA SER 59 HB1 SER 59 82.883 0.293 -7.195
4 HB3 SER 59 HG3 SER 59 84.745 0.897 -8.769
5 HB2 SER 59 HG2 SER 59 85.313 0.100 -7.305
No H/Q in entry = 5
Start of MODEL 10
1 H GLN 60 H GLN 60 83.920 3.443 -5.959
2 HB2 GLN 60 HG2 GLN 60 83.537 5.183 -4.405
3 HB3 GLN 60 HG3 GLN 60 84.326 5.055 -2.832
4 HE21 GLN 60 HE22 GLN 60 87.898 6.199 -4.238
5 HE22 GLN 60 HXT GLN 60 87.367 7.799 -4.440
6 HA GLN 60 HB1 GLN 60 84.828 2.642 -3.365
7 HG3 GLN 60 HD3 GLN 60 85.655 4.506 -5.504
8 HG2 GLN 60 HD2 GLN 60 86.436 4.420 -3.925
No H/Q in entry = 8
Start of MODEL 10
1 H ILE 61 H ILE 61 83.706 2.658 -1.331
2 HB ILE 61 HG12 ILE 61 82.792 1.808 0.767
3 HG12 ILE 61 HG13 ILE 61 83.481 0.389 -1.117
4 HG13 ILE 61 HG21 ILE 61 82.850 -0.612 0.187
5 HG21 ILE 61 HG22 ILE 61 79.958 0.851 0.365
6 HG22 ILE 61 HG23 ILE 61 81.039 0.066 1.516
7 HD11 ILE 61 HD12 ILE 61 80.609 -0.578 -1.018
8 HD12 ILE 61 HD13 ILE 61 81.445 0.167 -2.382
9 HG23 ILE 61 HXT ILE 61 80.626 1.769 1.715
10 HD13 ILE 61 HXT ILE 61 81.894 -1.454 -1.852
11 HA ILE 61 HB1 ILE 61 80.799 2.039 -1.519
No H/Q in entry = 11
Start of MODEL 10
1 H TYR 62 H TYR 62 79.244 3.319 -0.467
2 HD1 TYR 62 HD2 TYR 62 79.132 7.958 -1.366
3 HD2 TYR 62 HE1 TYR 62 77.812 4.000 -2.503
4 HE1 TYR 62 HE2 TYR 62 79.597 8.491 -3.760
5 HE2 TYR 62 HH TYR 62 78.277 4.533 -4.897
6 HH TYR 62 HXT TYR 62 79.941 6.274 -6.110
7 HA TYR 62 HB1 TYR 62 80.153 6.029 0.360
8 HB3 TYR 62 HG3 TYR 62 77.693 6.479 0.140
9 HB2 TYR 62 HG2 TYR 62 77.472 4.791 -0.286
No H/Q in entry = 9
Start of MODEL 10
1 H ASP 63 H ASP 63 80.604 6.158 2.535
2 HA ASP 63 HB1 ASP 63 79.715 4.607 4.690
3 HB3 ASP 63 HG3 ASP 63 80.164 6.710 6.008
4 HB2 ASP 63 HG2 ASP 63 80.297 7.572 4.475
No H/Q in entry = 4
Start of MODEL 10
1 H TYR 64 H TYR 64 78.052 7.378 3.178
2 HD1 TYR 64 HD2 TYR 64 74.205 9.852 4.106
3 HD2 TYR 64 HE1 TYR 64 75.560 8.194 7.863
4 HE1 TYR 64 HE2 TYR 64 72.101 10.610 5.199
5 HE2 TYR 64 HH TYR 64 73.451 8.957 8.952
6 HH TYR 64 HXT TYR 64 71.105 9.514 8.247
7 HA TYR 64 HB1 TYR 64 75.514 6.655 4.534
8 HB3 TYR 64 HG3 TYR 64 76.807 9.377 4.813
9 HB2 TYR 64 HG2 TYR 64 76.967 8.118 6.021
No H/Q in entry = 9
Start of MODEL 10
1 H ILE 65 H ILE 65 73.925 6.911 3.015
2 HB ILE 65 HG12 ILE 65 73.031 6.440 0.630
3 HG12 ILE 65 HG13 ILE 65 75.445 7.869 -0.545
4 HG13 ILE 65 HG21 ILE 65 75.516 6.581 0.656
5 HG21 ILE 65 HG22 ILE 65 73.208 8.863 -1.196
6 HG22 ILE 65 HG23 ILE 65 72.760 7.240 -1.727
7 HD11 ILE 65 HD12 ILE 65 74.069 5.265 -1.128
8 HD12 ILE 65 HD13 ILE 65 74.780 6.426 -2.249
9 HG23 ILE 65 HXT ILE 65 71.728 8.117 -0.594
10 HD13 ILE 65 HXT ILE 65 75.821 5.363 -1.305
11 HA ILE 65 HB1 ILE 65 74.153 9.228 1.111
No H/Q in entry = 11
Start of MODEL 10
1 H LEU 66 H LEU 66 72.482 10.640 1.323
2 HD11 LEU 66 HD12 LEU 66 69.930 11.827 4.865
3 HD12 LEU 66 HD13 LEU 66 68.321 12.547 4.857
4 HD13 LEU 66 HD21 LEU 66 68.561 10.918 4.224
5 HD21 LEU 66 HD22 LEU 66 69.563 14.412 2.044
6 HD22 LEU 66 HD23 LEU 66 68.376 14.388 3.348
7 HG LEU 66 HXT LEU 66 68.470 12.188 2.261
8 HD23 LEU 66 HXT LEU 66 70.098 14.294 3.720
9 HA LEU 66 HB1 LEU 66 70.081 9.915 2.896
10 HB3 LEU 66 HG3 LEU 66 70.878 12.498 1.513
11 HB2 LEU 66 HG2 LEU 66 71.363 12.062 3.151
No H/Q in entry = 11
Start of MODEL 10
1 H PHE 67 H PHE 67 68.046 9.620 1.977
2 HD1 PHE 67 HD2 PHE 67 68.130 8.869 -2.692
3 HD2 PHE 67 HE1 PHE 67 69.106 5.838 0.232
4 HE1 PHE 67 HE2 PHE 67 69.851 7.935 -4.225
5 HE2 PHE 67 HZ PHE 67 70.845 4.917 -1.301
6 HZ PHE 67 HXT PHE 67 71.219 5.967 -3.535
7 HA PHE 67 HB1 PHE 67 67.789 9.929 -0.990
8 HB3 PHE 67 HG3 PHE 67 66.467 7.633 -0.559
9 HB2 PHE 67 HG2 PHE 67 67.590 7.538 0.782
No H/Q in entry = 9
Start of MODEL 10
1 H ARG 68 H ARG 68 65.931 11.028 -1.468
2 HB2 ARG 68 HG2 ARG 68 64.227 12.401 -2.246
3 HB3 ARG 68 HG3 ARG 68 62.836 12.796 -1.240
4 HG2 ARG 68 HD2 ARG 68 64.379 13.574 0.548
5 HG3 ARG 68 HD3 ARG 68 65.746 13.246 -0.517
6 HD2 ARG 68 HD3 ARG 68 64.705 14.828 -2.203
7 HE ARG 68 HH12 ARG 68 66.287 15.387 0.004
8 HH11 ARG 68 HH21 ARG 68 63.782 17.151 -1.688
9 HH12 ARG 68 HH22 ARG 68 64.452 18.690 -1.274
10 HD3 ARG 68 HXT ARG 68 63.531 15.276 -0.951
11 HH21 ARG 68 HXT ARG 68 67.115 17.399 0.512
12 HH22 ARG 68 H1 ARG 68 66.316 18.832 -0.044
13 HA ARG 68 HB1 ARG 68 63.737 11.231 0.513
No H/Q in entry = 13
Start of MODEL 10
1 H GLY 69 H GLY 69 61.644 10.363 0.151
2 HA2 GLY 69 HA3 GLY 69 60.041 8.870 -0.687
3 HA3 GLY 69 HXT GLY 69 61.402 7.906 -1.253
No H/Q in entry = 3
Start of MODEL 10
1 H SER 70 H SER 70 61.035 11.194 -2.391
2 HG SER 70 HXT SER 70 61.795 13.583 -3.519
3 HA SER 70 HB1 SER 70 59.344 10.680 -4.669
4 HB3 SER 70 HG3 SER 70 59.814 12.886 -3.569
5 HB2 SER 70 HG2 SER 70 60.041 12.925 -5.315
No H/Q in entry = 5
Start of MODEL 10
1 H ASP 71 H ASP 71 62.879 10.605 -4.222
2 HA ASP 71 HB1 ASP 71 63.382 10.363 -7.110
3 HB3 ASP 71 HG3 ASP 71 64.883 11.609 -5.604
4 HB2 ASP 71 HG2 ASP 71 65.741 10.276 -6.369
No H/Q in entry = 4
Start of MODEL 10
1 H ILE 72 H ILE 72 63.221 8.184 -4.322
2 HB ILE 72 HG12 ILE 72 63.948 6.426 -3.158
3 HG12 ILE 72 HG13 ILE 72 66.017 4.950 -4.750
4 HG13 ILE 72 HG21 ILE 72 65.844 6.684 -5.013
5 HG21 ILE 72 HG22 ILE 72 64.053 3.677 -4.449
6 HG22 ILE 72 HG23 ILE 72 64.457 4.022 -2.768
7 HD11 ILE 72 HD12 ILE 72 66.113 5.511 -2.249
8 HD12 ILE 72 HD13 ILE 72 67.519 5.962 -3.218
9 HG23 ILE 72 HXT ILE 72 62.806 4.249 -3.342
10 HD13 ILE 72 HXT ILE 72 66.337 7.185 -2.750
11 HA ILE 72 HB1 ILE 72 63.893 5.890 -6.117
No H/Q in entry = 11
Start of MODEL 10
1 H LYS 73 H LYS 73 62.438 4.146 -6.356
2 HB2 LYS 73 HG2 LYS 73 60.754 4.746 -8.331
3 HB3 LYS 73 HG3 LYS 73 60.841 3.024 -7.956
4 HG2 LYS 73 HG3 LYS 73 58.372 2.974 -7.695
5 HG3 LYS 73 HD2 LYS 73 58.306 4.680 -8.141
6 HD2 LYS 73 HD3 LYS 73 59.428 4.094 -10.309
7 HE2 LYS 73 HE3 LYS 73 56.804 2.691 -9.673
8 HE3 LYS 73 HZ1 LYS 73 57.000 4.347 -10.282
9 HZ1 LYS 73 HZ2 LYS 73 58.142 3.456 -12.222
10 HZ2 LYS 73 HZ3 LYS 73 57.917 1.872 -11.651
11 HD3 LYS 73 HXT LYS 73 59.289 2.392 -9.868
12 HZ3 LYS 73 HXT LYS 73 56.577 2.813 -12.104
13 HA LYS 73 HB1 LYS 73 59.616 5.082 -6.099
No H/Q in entry = 13
Start of MODEL 10
1 H ASP 74 H ASP 74 61.767 2.414 -5.212
2 HA ASP 74 HB1 ASP 74 59.503 1.158 -3.752
3 HB3 ASP 74 HG3 ASP 74 61.135 -0.370 -5.800
4 HB2 ASP 74 HG2 ASP 74 59.545 0.314 -6.141
No H/Q in entry = 4
Start of MODEL 10
1 H ILE 75 H ILE 75 60.177 0.242 -1.879
2 HB ILE 75 HG12 ILE 75 62.559 1.697 -0.564
3 HG12 ILE 75 HG13 ILE 75 62.836 -0.349 1.646
4 HG13 ILE 75 HG21 ILE 75 64.141 -0.005 0.512
5 HG21 ILE 75 HG22 ILE 75 60.538 0.150 1.086
6 HG22 ILE 75 HG23 ILE 75 60.992 1.834 1.346
7 HD11 ILE 75 HD12 ILE 75 63.689 2.495 1.168
8 HD12 ILE 75 HD13 ILE 75 62.919 1.792 2.590
9 HG23 ILE 75 HXT ILE 75 60.159 1.363 -0.136
10 HD13 ILE 75 HXT ILE 75 64.621 1.472 2.261
11 HA ILE 75 HB1 ILE 75 63.064 -0.509 -1.582
No H/Q in entry = 11
Start of MODEL 10
1 H ARG 76 H ARG 76 63.382 -2.464 -0.486
2 HB2 ARG 76 HG2 ARG 76 62.566 -4.849 -1.451
3 HB3 ARG 76 HG3 ARG 76 61.501 -5.807 -0.422
4 HG2 ARG 76 HD2 ARG 76 59.680 -4.110 -0.893
5 HG3 ARG 76 HD3 ARG 76 60.752 -3.403 -2.103
6 HD2 ARG 76 HD3 ARG 76 60.900 -5.677 -3.198
7 HE ARG 76 HH12 ARG 76 58.932 -3.735 -3.433
8 HH11 ARG 76 HH21 ARG 76 58.945 -7.224 -3.715
9 HH12 ARG 76 HH22 ARG 76 57.636 -7.235 -4.844
10 HD3 ARG 76 HXT ARG 76 59.633 -6.225 -2.083
11 HH21 ARG 76 HXT ARG 76 57.243 -3.800 -4.894
12 HH22 ARG 76 H1 ARG 76 56.683 -5.319 -5.506
13 HA ARG 76 HB1 ARG 76 61.099 -3.720 0.955
No H/Q in entry = 13
Start of MODEL 10
1 H VAL 77 H VAL 77 61.800 -5.021 2.646
2 HB VAL 77 HG12 VAL 77 62.951 -4.487 4.947
3 HG11 VAL 77 HG12 VAL 77 62.005 -7.290 4.330
4 HG12 VAL 77 HG13 VAL 77 61.630 -6.500 5.858
5 HG13 VAL 77 HG21 VAL 77 61.068 -5.797 4.343
6 HG21 VAL 77 HG22 VAL 77 65.142 -5.588 5.575
7 HG22 VAL 77 HG23 VAL 77 63.840 -5.825 6.741
8 HG23 VAL 77 HXT VAL 77 64.275 -7.124 5.630
9 HA VAL 77 HB1 VAL 77 64.684 -5.028 3.263
No H/Q in entry = 9
Start of MODEL 10
1 H VAL 78 H VAL 78 65.959 -6.932 3.471
2 HB VAL 78 HG12 VAL 78 67.716 -8.524 3.027
3 HG11 VAL 78 HG12 VAL 78 66.773 -10.681 1.137
4 HG12 VAL 78 HG13 VAL 78 68.446 -10.125 1.130
5 HG13 VAL 78 HG21 VAL 78 67.764 -10.851 2.586
6 HG21 VAL 78 HG22 VAL 78 66.868 -6.882 1.356
7 HG22 VAL 78 HG23 VAL 78 68.266 -7.774 0.754
8 HG23 VAL 78 HXT VAL 78 66.645 -8.199 0.204
9 HA VAL 78 HB1 VAL 78 65.001 -9.236 1.854
No H/Q in entry = 9
Start of MODEL 10
1 H ASN 79 H ASN 79 64.525 -11.209 2.770
2 HD21 ASN 79 HD22 ASN 79 61.955 -11.649 7.142
3 HD22 ASN 79 HXT ASN 79 61.576 -10.007 6.935
4 HA ASN 79 HB1 ASN 79 65.091 -11.580 5.699
5 HB3 ASN 79 HG3 ASN 79 62.960 -12.947 5.605
6 HB2 ASN 79 HG2 ASN 79 62.754 -12.393 3.943
No H/Q in entry = 6
Start of MODEL 10
1 H ASN 80 H ASN 80 65.510 -13.815 6.344
2 HD21 ASN 80 HD22 ASN 80 68.822 -15.000 4.202
3 HD22 ASN 80 HXT ASN 80 69.788 -13.756 4.834
4 HA ASN 80 HB1 ASN 80 66.818 -15.412 4.194
5 HB3 ASN 80 HG3 ASN 80 67.800 -16.572 6.212
6 HB2 ASN 80 HG2 ASN 80 66.891 -15.453 7.228
No H/Q in entry = 6
Start of MODEL 10
1 H HIS 81 H HIS 81 65.971 -17.368 3.551
2 HD1 HIS 81 HD2 HIS 81 61.280 -17.437 4.083
3 HD2 HIS 81 HE1 HIS 81 63.902 -15.989 1.183
4 HE1 HIS 81 HE2 HIS 81 60.397 -15.167 3.389
5 HA HIS 81 HB1 HIS 81 63.587 -18.421 5.046
6 HB3 HIS 81 HG3 HIS 81 62.929 -19.278 2.798
7 HB2 HIS 81 HG2 HIS 81 64.362 -18.528 2.121
No H/Q in entry = 7
Start of MODEL 10
1 H THR 82 H THR 82 63.626 -20.592 5.624
2 HG1 THR 82 HG21 THR 82 67.077 -23.444 6.420
3 HG21 THR 82 HG22 THR 82 63.815 -22.633 7.682
4 HG22 THR 82 HG23 THR 82 65.008 -21.976 8.801
5 HG23 THR 82 HXT THR 82 64.170 -20.906 7.678
6 HA THR 82 HB1 THR 82 65.892 -22.279 4.626
7 HB THR 82 HG12 THR 82 66.418 -21.325 6.839
No H/Q in entry = 7
Start of MODEL 10
1 H LEU 83 H LEU 83 65.445 -24.596 4.737
2 HD11 LEU 83 HD12 LEU 83 60.797 -25.622 4.325
3 HD12 LEU 83 HD13 LEU 83 60.607 -25.084 2.656
4 HD13 LEU 83 HD21 LEU 83 59.963 -26.648 3.158
5 HD21 LEU 83 HD22 LEU 83 63.042 -27.402 1.172
6 HD22 LEU 83 HD23 LEU 83 61.305 -27.697 1.256
7 HG LEU 83 HXT LEU 83 62.229 -27.497 3.523
8 HD23 LEU 83 HXT LEU 83 61.909 -26.090 0.852
9 HA LEU 83 HB1 LEU 83 62.614 -25.379 5.243
10 HB3 LEU 83 HG3 LEU 83 64.131 -25.972 2.683
11 HB2 LEU 83 HG2 LEU 83 62.977 -24.648 2.849
No H/Q in entry = 11
Start of MODEL 10
1 HB2 PRO 84 HG2 PRO 84 62.734 -30.652 7.096
2 HB3 PRO 84 HG3 PRO 84 63.013 -29.352 8.270
3 HG2 PRO 84 HD2 PRO 84 61.095 -29.477 6.006
4 HG3 PRO 84 HD3 PRO 84 60.904 -28.758 7.612
5 HD2 PRO 84 HD3 PRO 84 61.387 -27.300 5.367
6 HD3 PRO 84 HXT PRO 84 61.892 -26.789 6.993
7 HA PRO 84 HB1 PRO 84 64.830 -28.866 6.938
No H/Q in entry = 7
Start of MODEL 11
1 H1 GLY -3 H1 GLY -3 51.925 8.250 31.433
2 H2 GLY -3 H2 GLY -3 52.897 7.078 32.185
3 H3 GLY -3 H3 GLY -3 53.418 8.694 32.105
4 HA2 GLY -3 HA3 GLY -3 53.200 6.731 29.900
5 HA3 GLY -3 HXT GLY -3 54.640 7.585 30.458
No H/Q in entry = 5
Start of MODEL 11
1 H ALA -2 H ALA -2 54.378 7.943 27.899
2 HA ALA -2 HB1 ALA -2 52.673 10.328 27.348
3 HB1 ALA -2 HB2 ALA -2 54.875 11.079 28.201
4 HB2 ALA -2 HB3 ALA -2 55.677 10.135 26.945
5 HB3 ALA -2 HXT ALA -2 54.671 11.515 26.504
No H/Q in entry = 5
Start of MODEL 11
1 H MET -1 H MET -1 52.254 10.613 25.087
2 HB2 MET -1 HG2 MET -1 50.760 10.408 23.307
3 HB3 MET -1 HG3 MET -1 50.896 9.134 22.095
4 HE1 MET -1 HE2 MET -1 48.566 7.561 25.761
5 HE2 MET -1 HE3 MET -1 46.916 7.897 25.240
6 HE3 MET -1 HXT MET -1 47.768 6.497 24.594
7 HA MET -1 HB1 MET -1 52.846 8.207 23.412
8 HG3 MET -1 HD3 MET -1 50.381 8.741 25.057
9 HG2 MET -1 HD2 MET -1 50.621 7.434 23.897
No H/Q in entry = 9
Start of MODEL 11
1 H ALA 0 H ALA 0 54.749 10.510 23.849
2 HA ALA 0 HB1 ALA 0 54.752 12.223 21.519
3 HB1 ALA 0 HB2 ALA 0 56.755 11.394 23.622
4 HB2 ALA 0 HB3 ALA 0 55.935 12.945 23.442
5 HB3 ALA 0 HXT ALA 0 57.210 12.485 22.313
No H/Q in entry = 5
Start of MODEL 11
1 H MET 1 H MET 1 56.204 9.072 22.248
2 HB2 MET 1 HG2 MET 1 58.470 8.022 21.962
3 HB3 MET 1 HG3 MET 1 59.041 7.570 20.355
4 HE1 MET 1 HE2 MET 1 60.997 8.966 18.909
5 HE2 MET 1 HE3 MET 1 62.562 8.626 19.657
6 HE3 MET 1 HXT MET 1 61.219 7.506 19.868
7 HA MET 1 HB1 MET 1 57.111 8.888 19.390
8 HG3 MET 1 HD3 MET 1 58.778 10.378 21.462
9 HG2 MET 1 HD2 MET 1 59.174 10.012 19.783
No H/Q in entry = 9
Start of MODEL 11
1 H SER 2 H SER 2 57.335 6.571 18.679
2 HG SER 2 HXT SER 2 53.733 5.669 17.239
3 HA SER 2 HB1 SER 2 55.317 4.805 20.033
4 HB3 SER 2 HG3 SER 2 54.902 3.953 17.747
5 HB2 SER 2 HG2 SER 2 56.150 5.026 17.121
No H/Q in entry = 5
Start of MODEL 11
1 H GLY 3 H GLY 3 55.836 2.540 20.124
2 HA2 GLY 3 HA3 GLY 3 57.586 1.059 20.937
3 HA3 GLY 3 HXT GLY 3 58.760 1.984 20.000
No H/Q in entry = 3
Start of MODEL 11
1 H GLY 4 H GLY 4 57.130 2.034 17.570
2 HA2 GLY 4 HA3 GLY 4 56.141 0.308 16.059
3 HA3 GLY 4 HXT GLY 4 57.237 -0.860 16.800
No H/Q in entry = 3
Start of MODEL 11
1 H LEU 5 H LEU 5 59.550 0.854 16.846
2 HD11 LEU 5 HD12 LEU 5 63.874 1.011 15.586
3 HD12 LEU 5 HD13 LEU 5 64.032 0.104 17.091
4 HD13 LEU 5 HD21 LEU 5 63.075 -0.550 15.763
5 HD21 LEU 5 HD22 LEU 5 61.765 2.657 18.211
6 HD22 LEU 5 HD23 LEU 5 62.559 1.251 18.922
7 HG LEU 5 HXT LEU 5 61.395 0.305 17.116
8 HD23 LEU 5 HXT LEU 5 63.470 2.348 17.885
9 HA LEU 5 HB1 LEU 5 60.065 1.866 14.155
10 HB3 LEU 5 HG3 LEU 5 61.050 2.820 16.222
11 HB2 LEU 5 HG2 LEU 5 62.302 2.316 15.091
No H/Q in entry = 11
Start of MODEL 11
1 HB2 PRO 6 HG2 PRO 6 63.426 -0.908 10.595
2 HB3 PRO 6 HG3 PRO 6 61.686 -0.783 10.272
3 HG2 PRO 6 HD2 PRO 6 63.569 1.264 11.313
4 HG3 PRO 6 HD3 PRO 6 62.196 1.446 10.211
5 HD2 PRO 6 HD3 PRO 6 62.105 2.132 12.842
6 HD3 PRO 6 HXT PRO 6 60.680 1.612 11.915
7 HA PRO 6 HB1 PRO 6 61.476 -1.876 12.290
No H/Q in entry = 7
Start of MODEL 11
1 H GLU 7 H GLU 7 63.305 -3.354 12.319
2 HB2 GLU 7 HG2 GLU 7 65.088 -4.886 12.134
3 HB3 GLU 7 HG3 GLU 7 66.063 -5.187 13.573
4 HA GLU 7 HB1 GLU 7 65.004 -3.158 14.626
5 HG3 GLU 7 HD3 GLU 7 63.033 -5.113 13.451
6 HG2 GLU 7 HD2 GLU 7 63.979 -5.330 14.924
No H/Q in entry = 6
Start of MODEL 11
1 H LEU 8 H LEU 8 66.911 -2.068 14.854
2 HD11 LEU 8 HD12 LEU 8 69.561 0.960 16.717
3 HD12 LEU 8 HD13 LEU 8 67.941 1.521 17.131
4 HD13 LEU 8 HD21 LEU 8 68.391 -0.162 17.412
5 HD21 LEU 8 HD22 LEU 8 69.011 1.783 14.118
6 HD22 LEU 8 HD23 LEU 8 67.351 1.429 13.641
7 HG LEU 8 HXT LEU 8 67.036 -0.091 15.410
8 HD23 LEU 8 HXT LEU 8 67.667 2.420 15.064
9 HA LEU 8 HB1 LEU 8 68.102 -0.472 12.789
10 HB3 LEU 8 HG3 LEU 8 69.921 -0.239 14.502
11 HB2 LEU 8 HG2 LEU 8 69.144 -1.513 15.443
No H/Q in entry = 11
Start of MODEL 11
1 H GLY 9 H GLY 9 69.952 -0.841 11.509
2 HA2 GLY 9 HA3 GLY 9 71.660 -3.173 11.881
3 HA3 GLY 9 HXT GLY 9 71.801 -1.963 10.626
No H/Q in entry = 3
Start of MODEL 11
1 H SER 10 H SER 10 68.633 -2.968 10.460
2 HG SER 10 HXT SER 10 66.575 -5.537 10.384
3 HA SER 10 HB1 SER 10 68.769 -5.506 9.148
4 HB3 SER 10 HG3 SER 10 66.527 -4.814 8.290
5 HB2 SER 10 HG2 SER 10 66.845 -3.178 8.863
No H/Q in entry = 5
Start of MODEL 11
1 H LYS 11 H LYS 11 69.226 -6.049 7.015
2 HB2 LYS 11 HG2 LYS 11 70.959 -5.948 3.875
3 HB3 LYS 11 HG3 LYS 11 71.293 -6.337 5.559
4 HG2 LYS 11 HG3 LYS 11 68.990 -7.415 5.655
5 HG3 LYS 11 HD2 LYS 11 68.909 -7.208 3.907
6 HD2 LYS 11 HD3 LYS 11 71.201 -8.629 5.274
7 HE2 LYS 11 HE3 LYS 11 70.177 -8.554 2.410
8 HE3 LYS 11 HZ1 LYS 11 71.689 -7.841 3.008
9 HZ1 LYS 11 HZ2 LYS 11 70.959 -10.718 3.195
10 HZ2 LYS 11 HZ3 LYS 11 72.047 -10.063 2.070
11 HD3 LYS 11 HXT LYS 11 69.762 -9.473 4.701
12 HZ3 LYS 11 HXT LYS 11 72.412 -10.018 3.729
13 HA LYS 11 HB1 LYS 11 70.416 -4.013 5.266
No H/Q in entry = 13
Start of MODEL 11
1 H ILE 12 H ILE 12 69.306 -2.884 3.727
2 HB ILE 12 HG12 ILE 12 67.601 -1.069 3.242
3 HG12 ILE 12 HG13 ILE 12 65.511 -2.625 4.798
4 HG13 ILE 12 HG21 ILE 12 67.178 -2.431 5.336
5 HG21 ILE 12 HG22 ILE 12 65.920 -1.357 1.410
6 HG22 ILE 12 HG23 ILE 12 64.828 -2.111 2.571
7 HD11 ILE 12 HD12 ILE 12 66.888 0.040 5.259
8 HD12 ILE 12 HD13 ILE 12 65.198 -0.195 4.808
9 HG23 ILE 12 HXT ILE 12 65.293 -0.421 2.765
10 HD13 ILE 12 HXT ILE 12 65.771 -0.727 6.389
11 HA ILE 12 HB1 ILE 12 66.628 -3.924 2.849
No H/Q in entry = 11
Start of MODEL 11
1 H SER 13 H SER 13 66.231 -3.922 0.650
2 HG SER 13 HXT SER 13 68.277 -4.905 -3.166
3 HA SER 13 HB1 SER 13 68.424 -3.055 -1.180
4 HB3 SER 13 HG3 SER 13 65.947 -4.757 -1.636
5 HB2 SER 13 HG2 SER 13 67.538 -5.398 -1.235
No H/Q in entry = 5
Start of MODEL 11
1 H LEU 14 H LEU 14 67.997 -1.459 -2.748
2 HD11 LEU 14 HD12 LEU 14 65.393 1.573 -0.083
3 HD12 LEU 14 HD13 LEU 14 64.602 3.007 -0.737
4 HD13 LEU 14 HD21 LEU 14 64.381 1.443 -1.521
5 HD21 LEU 14 HD22 LEU 14 67.788 3.041 -0.488
6 HD22 LEU 14 HD23 LEU 14 67.736 3.932 -2.009
7 HG LEU 14 HXT LEU 14 65.976 2.641 -2.856
8 HD23 LEU 14 HXT LEU 14 66.486 4.190 -0.793
9 HA LEU 14 HB1 LEU 14 65.377 -0.027 -2.504
10 HB3 LEU 14 HG3 LEU 14 68.085 1.315 -2.468
11 HB2 LEU 14 HG2 LEU 14 67.359 0.699 -0.985
No H/Q in entry = 11
Start of MODEL 11
1 H ILE 15 H ILE 15 64.598 0.454 -4.530
2 HB ILE 15 HG12 ILE 15 63.475 0.069 -6.662
3 HG12 ILE 15 HG13 ILE 15 65.567 -2.040 -7.268
4 HG13 ILE 15 HG21 ILE 15 64.931 -1.768 -5.646
5 HG21 ILE 15 HG22 ILE 15 64.220 0.951 -8.849
6 HG22 ILE 15 HG23 ILE 15 65.379 -0.371 -8.986
7 HD11 ILE 15 HD12 ILE 15 62.612 -2.095 -6.596
8 HD12 ILE 15 HD13 ILE 15 63.372 -2.597 -8.107
9 HG23 ILE 15 HXT ILE 15 63.648 -0.711 -8.999
10 HD13 ILE 15 HXT ILE 15 63.626 -3.537 -6.635
11 HA ILE 15 HB1 ILE 15 66.499 0.389 -6.846
No H/Q in entry = 11
Start of MODEL 11
1 H SER 16 H SER 16 67.037 2.383 -7.611
2 HG SER 16 HXT SER 16 68.770 5.163 -6.094
3 HA SER 16 HB1 SER 16 65.432 4.764 -6.872
4 HB3 SER 16 HG3 SER 16 67.455 5.933 -7.723
5 HB2 SER 16 HG2 SER 16 68.114 4.379 -8.229
No H/Q in entry = 5
Start of MODEL 11
1 H LYS 17 H LYS 17 64.943 6.408 -8.530
2 HB2 LYS 17 HG2 LYS 17 63.325 7.701 -9.447
3 HB3 LYS 17 HG3 LYS 17 64.675 8.112 -10.505
4 HG2 LYS 17 HG3 LYS 17 63.240 7.640 -12.480
5 HG3 LYS 17 HD2 LYS 17 61.888 7.306 -11.396
6 HD2 LYS 17 HD3 LYS 17 62.151 9.622 -10.458
7 HE2 LYS 17 HE3 LYS 17 61.788 9.799 -13.454
8 HE3 LYS 17 HZ1 LYS 17 60.610 8.937 -12.444
9 HZ1 LYS 17 HZ2 LYS 17 60.449 10.892 -11.028
10 HZ2 LYS 17 HZ3 LYS 17 61.554 11.723 -12.014
11 HD3 LYS 17 HXT LYS 17 63.366 9.936 -11.699
12 HZ3 LYS 17 HXT LYS 17 60.032 11.282 -12.625
13 HA LYS 17 HB1 LYS 17 63.250 5.441 -10.551
No H/Q in entry = 13
Start of MODEL 11
1 H ALA 18 H ALA 18 66.711 5.709 -10.743
2 HA ALA 18 HB1 ALA 18 66.764 5.883 -13.690
3 HB1 ALA 18 HB2 ALA 18 69.256 5.700 -13.213
4 HB2 ALA 18 HB3 ALA 18 68.459 7.060 -12.422
5 HB3 ALA 18 HXT ALA 18 68.848 5.606 -11.499
No H/Q in entry = 5
Start of MODEL 11
1 H ASP 19 H ASP 19 65.627 3.482 -12.051
2 HA ASP 19 HB1 ASP 19 65.628 1.138 -12.154
3 HB3 ASP 19 HG3 ASP 19 66.394 0.243 -14.365
4 HB2 ASP 19 HG2 ASP 19 67.054 1.830 -14.749
No H/Q in entry = 4
Start of MODEL 11
1 H ILE 20 H ILE 20 67.781 2.460 -10.722
2 HB ILE 20 HG12 ILE 20 69.929 3.097 -9.478
3 HG12 ILE 20 HG13 ILE 20 71.034 2.800 -12.295
4 HG13 ILE 20 HG21 ILE 20 69.503 3.569 -11.902
5 HG21 ILE 20 HG22 ILE 20 72.169 1.303 -10.442
6 HG22 ILE 20 HG23 ILE 20 72.472 2.947 -9.880
7 HD11 ILE 20 HD12 ILE 20 70.893 5.064 -10.304
8 HD12 ILE 20 HD13 ILE 20 72.286 4.499 -11.227
9 HG23 ILE 20 HXT ILE 20 71.771 1.756 -8.785
10 HD13 ILE 20 HXT ILE 20 70.993 5.386 -12.036
11 HA ILE 20 HB1 ILE 20 70.090 0.593 -11.194
No H/Q in entry = 11
Start of MODEL 11
1 H ARG 21 H ARG 21 70.817 -0.715 -9.449
2 HB2 ARG 21 HG2 ARG 21 69.360 -2.893 -8.794
3 HB3 ARG 21 HG3 ARG 21 71.016 -2.893 -8.189
4 HG2 ARG 21 HD2 ARG 21 70.151 -3.275 -5.888
5 HG3 ARG 21 HD3 ARG 21 68.513 -3.355 -6.539
6 HD2 ARG 21 HD3 ARG 21 70.773 -5.183 -7.429
7 HE ARG 21 HH12 ARG 21 68.037 -4.699 -8.347
8 HH11 ARG 21 HH21 ARG 21 70.558 -7.107 -8.043
9 HH12 ARG 21 HH22 ARG 21 69.942 -8.058 -9.350
10 HD3 ARG 21 HXT ARG 21 69.547 -5.627 -6.227
11 HH21 ARG 21 HXT ARG 21 67.279 -5.960 -10.027
12 HH22 ARG 21 H1 ARG 21 68.108 -7.417 -10.462
13 HA ARG 21 HB1 ARG 21 68.864 -0.992 -7.198
No H/Q in entry = 13
Start of MODEL 11
1 H TYR 22 H TYR 22 69.525 -0.057 -5.343
2 HD1 TYR 22 HD2 TYR 22 73.526 2.806 -4.161
3 HD2 TYR 22 HE1 TYR 22 69.682 2.494 -6.119
4 HE1 TYR 22 HE2 TYR 22 74.263 4.464 -5.873
5 HE2 TYR 22 HH TYR 22 70.421 4.154 -7.837
6 HH TYR 22 HXT TYR 22 72.268 6.128 -7.813
7 HA TYR 22 HB1 TYR 22 72.435 -0.032 -4.626
8 HB3 TYR 22 HG3 TYR 22 71.597 1.777 -3.041
9 HB2 TYR 22 HG2 TYR 22 70.044 1.649 -3.838
No H/Q in entry = 9
Start of MODEL 11
1 H GLU 23 H GLU 23 72.965 -0.784 -2.482
2 HB2 GLU 23 HG2 GLU 23 71.698 -3.612 -2.298
3 HB3 GLU 23 HG3 GLU 23 73.253 -3.351 -1.506
4 HA GLU 23 HB1 GLU 23 70.716 -1.836 -0.808
5 HG3 GLU 23 HD3 GLU 23 70.684 -4.267 -0.180
6 HG2 GLU 23 HD2 GLU 23 72.169 -3.877 0.688
No H/Q in entry = 6
Start of MODEL 11
1 H GLY 24 H GLY 24 71.134 -1.589 1.419
2 HA2 GLY 24 HA3 GLY 24 72.846 0.439 2.278
3 HA3 GLY 24 HXT GLY 24 73.800 -1.033 2.446
No H/Q in entry = 3
Start of MODEL 11
1 H ARG 25 H ARG 25 73.644 -0.186 4.773
2 HB2 ARG 25 HG2 ARG 25 73.951 -0.048 7.045
3 HB3 ARG 25 HG3 ARG 25 72.973 -0.992 8.169
4 HG2 ARG 25 HD2 ARG 25 73.530 -3.050 6.885
5 HG3 ARG 25 HD3 ARG 25 74.571 -2.087 5.836
6 HD2 ARG 25 HD3 ARG 25 75.854 -1.375 7.908
7 HE ARG 25 HH12 ARG 25 76.095 -3.673 6.370
8 HH11 ARG 25 HH21 ARG 25 76.700 -2.929 9.736
9 HH12 ARG 25 HH22 ARG 25 77.946 -4.120 9.877
10 HD3 ARG 25 HXT ARG 25 74.920 -2.586 8.809
11 HH21 ARG 25 HXT ARG 25 77.711 -5.198 6.600
12 HH22 ARG 25 H1 ARG 25 78.513 -5.391 8.124
13 HA ARG 25 HB1 ARG 25 71.603 -1.770 6.200
No H/Q in entry = 13
Start of MODEL 11
1 H LEU 26 H LEU 26 69.800 -0.911 7.208
2 HD11 LEU 26 HD12 LEU 26 66.920 1.974 6.419
3 HD12 LEU 26 HD13 LEU 26 65.372 1.286 6.909
4 HD13 LEU 26 HD21 LEU 26 65.798 2.928 7.389
5 HD21 LEU 26 HD22 LEU 26 65.586 -0.284 8.983
6 HD22 LEU 26 HD23 LEU 26 66.103 0.669 10.374
7 HG LEU 26 HXT LEU 26 67.269 2.215 9.038
8 HD23 LEU 26 HXT LEU 26 64.844 1.283 9.302
9 HA LEU 26 HB1 LEU 26 68.906 1.790 6.855
10 HB3 LEU 26 HG3 LEU 26 68.155 -0.210 9.004
11 HB2 LEU 26 HG2 LEU 26 67.560 -0.270 7.346
No H/Q in entry = 11
Start of MODEL 11
1 H TYR 27 H TYR 27 69.863 3.571 7.844
2 HD1 TYR 27 HD2 TYR 27 73.062 3.879 11.314
3 HD2 TYR 27 HE1 TYR 27 71.984 7.581 9.357
4 HE1 TYR 27 HE2 TYR 27 74.394 5.155 12.995
5 HE2 TYR 27 HH TYR 27 73.316 8.857 11.040
6 HH TYR 27 HXT TYR 27 75.607 7.723 12.825
7 HA TYR 27 HB1 TYR 27 71.109 3.265 10.537
8 HB3 TYR 27 HG3 TYR 27 71.093 5.572 8.576
9 HB2 TYR 27 HG2 TYR 27 72.301 4.301 8.590
No H/Q in entry = 9
Start of MODEL 11
1 H THR 28 H THR 28 68.820 5.425 8.811
2 HG1 THR 28 HG21 THR 28 69.728 7.541 9.485
3 HG21 THR 28 HG22 THR 28 68.748 6.779 12.677
4 HG22 THR 28 HG23 THR 28 70.124 6.976 11.592
5 HG23 THR 28 HXT THR 28 69.408 8.386 12.374
6 HA THR 28 HB1 THR 28 67.235 5.761 11.291
7 HB THR 28 HG12 THR 28 67.468 8.290 11.026
No H/Q in entry = 7
Start of MODEL 11
1 H VAL 29 H VAL 29 65.132 6.677 10.852
2 HB VAL 29 HG12 VAL 29 64.160 4.725 8.526
3 HG11 VAL 29 HG12 VAL 29 63.722 5.041 10.967
4 HG12 VAL 29 HG13 VAL 29 62.121 5.665 10.565
5 HG13 VAL 29 HG21 VAL 29 62.536 3.993 10.188
6 HG21 VAL 29 HG22 VAL 29 61.778 6.457 7.939
7 HG22 VAL 29 HG23 VAL 29 62.632 5.335 6.881
8 HG23 VAL 29 HXT VAL 29 61.547 4.719 8.126
9 HA VAL 29 HB1 VAL 29 64.437 7.141 7.991
No H/Q in entry = 9
Start of MODEL 11
1 H ASP 30 H ASP 30 62.695 8.586 7.730
2 HA ASP 30 HB1 ASP 30 61.364 9.580 10.228
3 HB3 ASP 30 HG3 ASP 30 62.025 11.286 7.829
4 HB2 ASP 30 HG2 ASP 30 63.241 10.976 9.069
No H/Q in entry = 4
Start of MODEL 11
1 HB2 PRO 31 HG2 PRO 31 56.099 8.155 9.291
2 HB3 PRO 31 HG3 PRO 31 57.164 6.754 9.078
3 HG2 PRO 31 HD2 PRO 31 57.278 8.926 11.096
4 HG3 PRO 31 HD3 PRO 31 57.666 7.207 11.259
5 HD2 PRO 31 HD3 PRO 31 59.563 9.124 11.070
6 HD3 PRO 31 HXT PRO 31 59.798 7.475 10.451
7 HA PRO 31 HB1 PRO 31 58.145 7.985 7.412
No H/Q in entry = 7
Start of MODEL 11
1 H GLN 32 H GLN 32 57.839 10.828 9.536
2 HB2 GLN 32 HG2 GLN 32 55.931 12.067 10.565
3 HB3 GLN 32 HG3 GLN 32 57.236 13.185 10.171
4 HE21 GLN 32 HE22 GLN 32 53.283 14.276 11.350
5 HE22 GLN 32 HXT GLN 32 54.017 15.210 12.562
6 HA GLN 32 HB1 GLN 32 55.492 11.840 8.077
7 HG3 GLN 32 HD3 GLN 32 54.301 13.530 9.493
8 HG2 GLN 32 HD2 GLN 32 55.585 14.608 8.945
No H/Q in entry = 8
Start of MODEL 11
1 H GLU 33 H GLU 33 58.971 12.387 8.068
2 HB2 GLU 33 HG2 GLU 33 61.044 13.000 7.300
3 HB3 GLU 33 HG3 GLU 33 61.270 14.386 6.233
4 HA GLU 33 HB1 GLU 33 58.759 14.661 6.199
5 HG3 GLU 33 HD3 GLU 33 59.926 14.422 8.952
6 HG2 GLU 33 HD2 GLU 33 60.047 15.810 7.870
No H/Q in entry = 6
Start of MODEL 11
1 H CYS 34 H CYS 34 58.231 11.391 5.770
2 HG CYS 34 HXT CYS 34 56.013 10.523 2.839
3 HA CYS 34 HB1 CYS 34 58.464 9.874 3.980
4 HB3 CYS 34 HG3 CYS 34 58.257 11.105 1.747
5 HB2 CYS 34 HG2 CYS 34 58.329 12.603 2.675
No H/Q in entry = 5
Start of MODEL 11
1 H THR 35 H THR 35 60.991 10.545 5.228
2 HG1 THR 35 HG21 THR 35 63.468 12.326 6.199
3 HG21 THR 35 HG22 THR 35 61.801 12.749 2.896
4 HG22 THR 35 HG23 THR 35 62.768 13.992 3.689
5 HG23 THR 35 HXT THR 35 63.479 12.998 2.418
6 HA THR 35 HB1 THR 35 62.838 10.431 2.866
7 HB THR 35 HG12 THR 35 64.318 11.966 4.327
No H/Q in entry = 7
Start of MODEL 11
1 H ILE 36 H ILE 36 64.827 9.310 3.307
2 HB ILE 36 HG12 ILE 36 65.441 5.837 4.847
3 HG12 ILE 36 HG13 ILE 36 64.366 7.201 2.361
4 HG13 ILE 36 HG21 ILE 36 66.086 6.912 2.620
5 HG21 ILE 36 HG22 ILE 36 63.146 6.857 5.634
6 HG22 ILE 36 HG23 ILE 36 62.788 6.882 3.907
7 HD11 ILE 36 HD12 ILE 36 65.535 4.470 2.964
8 HD12 ILE 36 HD13 ILE 36 63.887 4.835 2.449
9 HG23 ILE 36 HXT ILE 36 63.166 5.357 4.707
10 HD13 ILE 36 HXT ILE 36 65.233 5.061 1.330
11 HA ILE 36 HB1 ILE 36 65.106 8.035 5.988
No H/Q in entry = 11
Start of MODEL 11
1 H ALA 37 H ALA 37 67.302 7.149 6.316
2 HA ALA 37 HB1 ALA 37 69.340 8.024 4.307
3 HB1 ALA 37 HB2 ALA 37 68.873 9.481 6.495
4 HB2 ALA 37 HB3 ALA 37 70.518 9.228 5.911
5 HB3 ALA 37 HXT ALA 37 69.896 8.256 7.246
No H/Q in entry = 5
Start of MODEL 11
1 H LEU 38 H LEU 38 70.690 6.362 3.829
2 HD11 LEU 38 HD12 LEU 38 69.439 3.767 1.176
3 HD12 LEU 38 HD13 LEU 38 69.425 2.105 1.765
4 HD13 LEU 38 HD21 LEU 38 67.935 3.049 1.753
5 HD21 LEU 38 HD22 LEU 38 69.520 1.780 4.451
6 HD22 LEU 38 HD23 LEU 38 68.634 3.059 5.279
7 HG LEU 38 HXT LEU 38 68.821 4.539 3.471
8 HD23 LEU 38 HXT LEU 38 67.861 2.150 3.982
9 HA LEU 38 HB1 LEU 38 70.681 3.957 5.618
10 HB3 LEU 38 HG3 LEU 38 71.293 2.786 3.489
11 HB2 LEU 38 HG2 LEU 38 71.212 4.335 2.650
No H/Q in entry = 11
Start of MODEL 11
1 H SER 39 H SER 39 72.711 3.005 6.146
2 HG SER 39 HXT SER 39 74.410 2.774 9.060
3 HA SER 39 HB1 SER 39 75.104 4.728 5.559
4 HB3 SER 39 HG3 SER 39 74.233 4.738 7.905
5 HB2 SER 39 HG2 SER 39 75.856 4.061 7.804
No H/Q in entry = 5
Start of MODEL 11
1 H SER 40 H SER 40 77.130 3.530 5.298
2 HG SER 40 HXT SER 40 76.321 -0.830 5.136
3 HA SER 40 HB1 SER 40 78.277 1.945 3.975
4 HB3 SER 40 HG3 SER 40 78.061 1.033 6.357
5 HB2 SER 40 HG2 SER 40 78.401 -0.160 5.110
No H/Q in entry = 5
Start of MODEL 11
1 H VAL 41 H VAL 41 77.093 2.402 2.017
2 HB VAL 41 HG12 VAL 41 74.005 2.229 1.859
3 HG11 VAL 41 HG12 VAL 41 75.832 3.837 1.286
4 HG12 VAL 41 HG13 VAL 41 75.474 3.568 -0.424
5 HG13 VAL 41 HG21 VAL 41 74.262 4.304 0.626
6 HG21 VAL 41 HG22 VAL 41 74.004 1.172 -0.926
7 HG22 VAL 41 HG23 VAL 41 72.711 1.200 0.270
8 HG23 VAL 41 HXT VAL 41 73.090 2.653 -0.650
9 HA VAL 41 HB1 VAL 41 75.270 0.183 1.184
No H/Q in entry = 9
Start of MODEL 11
1 H ARG 42 H ARG 42 75.433 -0.347 -1.054
2 HB2 ARG 42 HG2 ARG 42 78.430 -1.136 -3.281
3 HB3 ARG 42 HG3 ARG 42 78.505 -0.901 -1.538
4 HG2 ARG 42 HD2 ARG 42 76.322 -2.157 -1.354
5 HG3 ARG 42 HD3 ARG 42 76.458 -2.529 -3.073
6 HD2 ARG 42 HD3 ARG 42 78.687 -3.590 -2.622
7 HE ARG 42 HH12 ARG 42 76.088 -4.574 -1.704
8 HH11 ARG 42 HH21 ARG 42 79.486 -5.355 -2.017
9 HH12 ARG 42 HH22 ARG 42 79.192 -7.058 -2.036
10 HD3 ARG 42 HXT ARG 42 78.416 -3.328 -0.888
11 HH21 ARG 42 HXT ARG 42 75.758 -6.782 -1.733
12 HH22 ARG 42 H1 ARG 42 77.108 -7.860 -1.877
13 HA ARG 42 HB1 ARG 42 77.527 1.085 -2.635
No H/Q in entry = 13
Start of MODEL 11
1 H SER 43 H SER 43 77.204 0.942 -4.934
2 HG SER 43 HXT SER 43 77.233 2.502 -6.770
3 HA SER 43 HB1 SER 43 74.466 0.046 -5.760
4 HB3 SER 43 HG3 SER 43 75.265 2.455 -5.999
5 HB2 SER 43 HG2 SER 43 74.698 1.717 -7.492
No H/Q in entry = 5
Start of MODEL 11
1 H PHE 44 H PHE 44 74.295 -1.590 -7.308
2 HD1 PHE 44 HD2 PHE 44 76.455 -5.734 -6.844
3 HD2 PHE 44 HE1 PHE 44 72.825 -3.480 -6.183
4 HE1 PHE 44 HE2 PHE 44 76.261 -6.716 -4.557
5 HE2 PHE 44 HZ PHE 44 72.633 -4.462 -3.896
6 HZ PHE 44 HXT PHE 44 74.350 -6.080 -3.084
7 HA PHE 44 HB1 PHE 44 76.743 -3.184 -7.682
8 HB3 PHE 44 HG3 PHE 44 75.012 -4.736 -8.750
9 HB2 PHE 44 HG2 PHE 44 73.814 -3.528 -8.325
No H/Q in entry = 9
Start of MODEL 11
1 H GLY 45 H GLY 45 74.424 -1.464 -9.807
2 HA2 GLY 45 HA3 GLY 45 75.799 -2.209 -12.251
3 HA3 GLY 45 HXT GLY 45 76.280 -0.612 -11.684
No H/Q in entry = 3
Start of MODEL 11
1 H THR 46 H THR 46 75.238 -0.037 -13.837
2 HG1 THR 46 HG21 THR 46 74.563 2.849 -15.446
3 HG21 THR 46 HG22 THR 46 72.852 1.913 -12.413
4 HG22 THR 46 HG23 THR 46 74.395 2.617 -12.898
5 HG23 THR 46 HXT THR 46 72.887 3.435 -13.305
6 HA THR 46 HB1 THR 46 72.237 0.033 -13.662
7 HB THR 46 HG12 THR 46 72.466 2.062 -15.088
No H/Q in entry = 7
Start of MODEL 11
1 H GLU 47 H GLU 47 74.446 -1.890 -15.017
2 HB2 GLU 47 HG2 GLU 47 74.897 -3.861 -16.251
3 HB3 GLU 47 HG3 GLU 47 75.452 -3.639 -17.910
4 HA GLU 47 HB1 GLU 47 74.697 -1.237 -17.743
5 HG3 GLU 47 HD3 GLU 47 76.435 -2.117 -15.479
6 HG2 GLU 47 HD2 GLU 47 76.947 -1.805 -17.138
No H/Q in entry = 6
Start of MODEL 11
1 H ASP 48 H ASP 48 72.145 -3.098 -16.145
2 HA ASP 48 HB1 ASP 48 71.226 -4.524 -18.479
3 HB3 ASP 48 HG3 ASP 48 69.179 -4.830 -17.037
4 HB2 ASP 48 HG2 ASP 48 69.879 -3.688 -15.890
No H/Q in entry = 4
Start of MODEL 11
1 H ARG 49 H ARG 49 69.695 -1.738 -16.811
2 HB2 ARG 49 HG2 ARG 49 68.113 -0.166 -16.403
3 HB3 ARG 49 HG3 ARG 49 67.092 0.539 -17.660
4 HG2 ARG 49 HD2 ARG 49 66.293 -1.792 -18.206
5 HG3 ARG 49 HD3 ARG 49 67.164 -2.361 -16.781
6 HD2 ARG 49 HD3 ARG 49 65.676 -1.372 -15.308
7 HE ARG 49 HH12 ARG 49 64.001 -2.686 -16.346
8 HH11 ARG 49 HH21 ARG 49 64.851 0.007 -18.412
9 HH12 ARG 49 HH22 ARG 49 63.585 -0.330 -19.539
10 HD3 ARG 49 HXT ARG 49 65.271 -0.061 -16.433
11 HH21 ARG 49 HXT ARG 49 62.379 -3.085 -17.833
12 HH22 ARG 49 H1 ARG 49 62.201 -2.061 -19.218
13 HA ARG 49 HB1 ARG 49 68.204 -1.073 -19.288
No H/Q in entry = 13
Start of MODEL 11
1 H ASP 50 H ASP 50 71.261 -0.418 -18.541
2 HA ASP 50 HB1 ASP 50 71.567 2.339 -18.008
3 HB3 ASP 50 HG3 ASP 50 73.404 0.746 -17.895
4 HB2 ASP 50 HG2 ASP 50 73.830 2.009 -19.038
No H/Q in entry = 4
Start of MODEL 11
1 H THR 51 H THR 51 72.519 3.971 -19.562
2 HG1 THR 51 HG21 THR 51 72.104 6.165 -19.368
3 HG21 THR 51 HG22 THR 51 71.069 6.396 -22.911
4 HG22 THR 51 HG23 THR 51 71.962 7.710 -22.142
5 HG23 THR 51 HXT THR 51 72.800 6.571 -23.197
6 HA THR 51 HB1 THR 51 70.911 4.303 -21.986
7 HB THR 51 HG12 THR 51 73.354 5.828 -21.030
No H/Q in entry = 7
Start of MODEL 11
1 H GLN 52 H GLN 52 72.019 4.681 -24.127
2 HB2 GLN 52 HG2 GLN 52 73.477 3.226 -27.047
3 HB3 GLN 52 HG3 GLN 52 71.930 3.233 -26.204
4 HE21 GLN 52 HE22 GLN 52 70.523 6.366 -25.960
5 HE22 GLN 52 HXT GLN 52 69.673 6.198 -27.420
6 HA GLN 52 HB1 GLN 52 73.764 2.420 -24.741
7 HG3 GLN 52 HD3 GLN 52 73.619 5.536 -27.102
8 HG2 GLN 52 HD2 GLN 52 72.669 5.742 -25.633
No H/Q in entry = 8
Start of MODEL 11
1 H PHE 53 H PHE 53 74.511 5.434 -23.452
2 HD1 PHE 53 HD2 PHE 53 74.652 6.784 -25.583
3 HD2 PHE 53 HE1 PHE 53 77.839 9.363 -24.205
4 HE1 PHE 53 HE2 PHE 53 74.395 8.194 -27.625
5 HE2 PHE 53 HZ PHE 53 77.580 10.772 -26.249
6 HZ PHE 53 HXT PHE 53 75.859 10.188 -27.958
7 HA PHE 53 HB1 PHE 53 77.203 5.519 -24.716
8 HB3 PHE 53 HG3 PHE 53 77.278 7.481 -22.955
9 HB2 PHE 53 HG2 PHE 53 75.541 7.242 -22.905
No H/Q in entry = 9
Start of MODEL 11
1 H GLN 54 H GLN 54 79.113 5.331 -23.336
2 HB2 GLN 54 HG2 GLN 54 81.129 5.084 -22.160
3 HB3 GLN 54 HG3 GLN 54 81.391 3.598 -21.247
4 HE21 GLN 54 HE22 GLN 54 82.386 1.481 -24.503
5 HE22 GLN 54 HXT GLN 54 83.863 2.303 -24.658
6 HA GLN 54 HB1 GLN 54 78.949 3.058 -21.562
7 HG3 GLN 54 HD3 GLN 54 80.323 3.731 -24.083
8 HG2 GLN 54 HD2 GLN 54 80.651 2.260 -23.167
No H/Q in entry = 8
Start of MODEL 11
1 H ILE 55 H ILE 55 78.853 2.973 -19.333
2 HB ILE 55 HG12 ILE 55 77.431 2.965 -17.242
3 HG12 ILE 55 HG13 ILE 55 76.279 5.647 -18.075
4 HG13 ILE 55 HG21 ILE 55 76.602 4.344 -19.219
5 HG21 ILE 55 HG22 ILE 55 77.556 5.640 -15.833
6 HG22 ILE 55 HG23 ILE 55 76.212 4.523 -15.597
7 HD11 ILE 55 HD12 ILE 55 75.201 2.890 -17.544
8 HD12 ILE 55 HD13 ILE 55 74.583 4.449 -16.996
9 HG23 ILE 55 HXT ILE 55 77.849 4.038 -15.157
10 HD13 ILE 55 HXT ILE 55 74.363 3.953 -18.675
11 HA ILE 55 HB1 ILE 55 78.900 5.572 -17.825
No H/Q in entry = 11
Start of MODEL 11
1 H ALA 56 H ALA 56 80.242 5.661 -16.006
2 HA ALA 56 HB1 ALA 56 82.167 3.418 -15.667
3 HB1 ALA 56 HB2 ALA 56 83.167 5.548 -16.013
4 HB2 ALA 56 HB3 ALA 56 82.047 6.339 -14.903
5 HB3 ALA 56 HXT ALA 56 83.304 5.272 -14.276
No H/Q in entry = 5
Start of MODEL 11
1 HB2 PRO 57 HG2 PRO 57 80.939 0.130 -11.387
2 HB3 PRO 57 HG3 PRO 57 79.594 0.262 -12.537
3 HG2 PRO 57 HD2 PRO 57 82.513 0.084 -13.054
4 HG3 PRO 57 HD3 PRO 57 81.158 -0.613 -13.956
5 HD2 PRO 57 HD3 PRO 57 82.512 1.604 -14.764
6 HD3 PRO 57 HXT PRO 57 80.807 1.299 -15.163
7 HA PRO 57 HB1 PRO 57 79.649 2.497 -11.975
No H/Q in entry = 7
Start of MODEL 11
1 H GLN 58 H GLN 58 80.163 2.756 -9.754
2 HB2 GLN 58 HG2 GLN 58 80.275 4.023 -7.818
3 HB3 GLN 58 HG3 GLN 58 81.796 4.640 -7.170
4 HE21 GLN 58 HE22 GLN 58 81.463 8.163 -9.013
5 HE22 GLN 58 HXT GLN 58 80.174 8.641 -8.018
6 HA GLN 58 HB1 GLN 58 82.958 3.628 -9.179
7 HG3 GLN 58 HD3 GLN 58 80.680 5.308 -9.911
8 HG2 GLN 58 HD2 GLN 58 82.158 5.961 -9.204
No H/Q in entry = 8
Start of MODEL 11
1 H SER 59 H SER 59 84.245 2.181 -8.129
2 HG SER 59 HXT SER 59 87.075 0.717 -6.942
3 HA SER 59 HB1 SER 59 83.143 -0.231 -6.867
4 HB3 SER 59 HG3 SER 59 85.246 -0.102 -8.233
5 HB2 SER 59 HG2 SER 59 85.499 -0.807 -6.640
No H/Q in entry = 5
Start of MODEL 11
1 H GLN 60 H GLN 60 84.325 2.906 -5.801
2 HB2 GLN 60 HG2 GLN 60 85.443 4.407 -4.423
3 HB3 GLN 60 HG3 GLN 60 83.749 4.846 -4.199
4 HE21 GLN 60 HE22 GLN 60 84.436 6.862 -0.795
5 HE22 GLN 60 HXT GLN 60 85.145 8.143 -1.654
6 HA GLN 60 HB1 GLN 60 84.985 2.309 -3.086
7 HG3 GLN 60 HD3 GLN 60 85.750 4.348 -1.974
8 HG2 GLN 60 HD2 GLN 60 84.053 4.773 -1.748
No H/Q in entry = 8
Start of MODEL 11
1 H ILE 61 H ILE 61 83.723 2.402 -1.176
2 HB ILE 61 HG12 ILE 61 82.630 1.650 0.864
3 HG12 ILE 61 HG13 ILE 61 83.343 0.141 -0.932
4 HG13 ILE 61 HG21 ILE 61 82.551 -0.787 0.337
5 HG21 ILE 61 HG22 ILE 61 79.759 0.923 0.317
6 HG22 ILE 61 HG23 ILE 61 80.705 0.014 1.496
7 HD11 ILE 61 HD12 ILE 61 80.409 -0.239 -1.243
8 HD12 ILE 61 HD13 ILE 61 81.684 -0.276 -2.458
9 HG23 ILE 61 HXT ILE 61 80.446 1.744 1.719
10 HD13 ILE 61 HXT ILE 61 81.403 -1.682 -1.433
11 HA ILE 61 HB1 ILE 61 80.804 1.950 -1.549
No H/Q in entry = 11
Start of MODEL 11
1 H TYR 62 H TYR 62 79.251 3.275 -0.499
2 HD1 TYR 62 HD2 TYR 62 79.531 4.434 -2.499
3 HD2 TYR 62 HE1 TYR 62 77.559 8.093 -1.310
4 HE1 TYR 62 HE2 TYR 62 80.027 5.429 -4.734
5 HE2 TYR 62 HH TYR 62 78.055 9.087 -3.545
6 HH TYR 62 HXT TYR 62 79.856 8.679 -5.387
7 HA TYR 62 HB1 TYR 62 80.216 5.983 0.265
8 HB3 TYR 62 HG3 TYR 62 77.630 6.304 0.175
9 HB2 TYR 62 HG2 TYR 62 77.618 4.706 -0.547
No H/Q in entry = 9
Start of MODEL 11
1 H ASP 63 H ASP 63 80.651 6.196 2.430
2 HA ASP 63 HB1 ASP 63 79.800 4.687 4.628
3 HB3 ASP 63 HG3 ASP 63 80.109 7.696 4.612
4 HB2 ASP 63 HG2 ASP 63 81.478 6.595 4.448
No H/Q in entry = 4
Start of MODEL 11
1 H TYR 64 H TYR 64 78.097 7.428 3.097
2 HD1 TYR 64 HD2 TYR 64 74.246 9.883 4.038
3 HD2 TYR 64 HE1 TYR 64 75.632 8.257 7.798
4 HE1 TYR 64 HE2 TYR 64 72.143 10.639 5.138
5 HE2 TYR 64 HH TYR 64 73.526 9.017 8.895
6 HH TYR 64 HXT TYR 64 71.548 11.255 7.749
7 HA TYR 64 HB1 TYR 64 75.576 6.693 4.478
8 HB3 TYR 64 HG3 TYR 64 76.855 9.424 4.732
9 HB2 TYR 64 HG2 TYR 64 77.028 8.174 5.947
No H/Q in entry = 9
Start of MODEL 11
1 H ILE 65 H ILE 65 73.966 6.938 2.982
2 HB ILE 65 HG12 ILE 65 73.069 6.442 0.599
3 HG12 ILE 65 HG13 ILE 65 75.460 7.894 -0.597
4 HG13 ILE 65 HG21 ILE 65 75.552 6.617 0.613
5 HG21 ILE 65 HG22 ILE 65 73.205 8.862 -1.236
6 HG22 ILE 65 HG23 ILE 65 72.784 7.233 -1.764
7 HD11 ILE 65 HD12 ILE 65 74.097 5.286 -1.172
8 HD12 ILE 65 HD13 ILE 65 74.837 6.432 -2.290
9 HG23 ILE 65 HXT ILE 65 71.740 8.092 -0.630
10 HD13 ILE 65 HXT ILE 65 75.852 5.367 -1.319
11 HA ILE 65 HB1 ILE 65 74.162 9.244 1.062
No H/Q in entry = 11
Start of MODEL 11
1 H LEU 66 H LEU 66 72.485 10.646 1.300
2 HD11 LEU 66 HD12 LEU 66 69.954 11.795 4.873
3 HD12 LEU 66 HD13 LEU 66 68.333 12.493 4.878
4 HD13 LEU 66 HD21 LEU 66 68.593 10.871 4.234
5 HD21 LEU 66 HD22 LEU 66 70.207 14.270 3.593
6 HD22 LEU 66 HD23 LEU 66 69.360 14.400 2.051
7 HG LEU 66 HXT LEU 66 68.469 12.159 2.281
8 HD23 LEU 66 HXT LEU 66 68.445 14.336 3.558
9 HA LEU 66 HB1 LEU 66 70.099 9.891 2.883
10 HB3 LEU 66 HG3 LEU 66 70.869 12.492 1.516
11 HB2 LEU 66 HG2 LEU 66 71.371 12.046 3.147
No H/Q in entry = 11
Start of MODEL 11
1 H PHE 67 H PHE 67 68.058 9.592 1.976
2 HD1 PHE 67 HD2 PHE 67 68.219 8.871 -2.666
3 HD2 PHE 67 HE1 PHE 67 69.078 5.806 0.258
4 HE1 PHE 67 HE2 PHE 67 69.980 7.938 -4.153
5 HE2 PHE 67 HZ PHE 67 70.856 4.884 -1.228
6 HZ PHE 67 HXT PHE 67 71.308 5.952 -3.439
7 HA PHE 67 HB1 PHE 67 67.784 9.917 -0.990
8 HB3 PHE 67 HG3 PHE 67 66.480 7.619 -0.590
9 HB2 PHE 67 HG2 PHE 67 67.567 7.519 0.780
No H/Q in entry = 9
Start of MODEL 11
1 H ARG 68 H ARG 68 65.927 11.030 -1.441
2 HB2 ARG 68 HG2 ARG 68 64.232 12.407 -2.192
3 HB3 ARG 68 HG3 ARG 68 62.817 12.762 -1.202
4 HG2 ARG 68 HD2 ARG 68 64.336 13.508 0.634
5 HG3 ARG 68 HD3 ARG 68 65.711 13.256 -0.443
6 HD2 ARG 68 HD3 ARG 68 64.647 14.868 -2.069
7 HE ARG 68 HH12 ARG 68 65.821 15.502 0.536
8 HH11 ARG 68 HH21 ARG 68 64.555 16.865 -2.429
9 HH12 ARG 68 HH22 ARG 68 65.472 18.321 -2.266
10 HD3 ARG 68 HXT ARG 68 63.432 15.227 -0.827
11 HH21 ARG 68 HXT ARG 68 66.986 17.400 0.704
12 HH22 ARG 68 H1 ARG 68 66.834 18.623 -0.514
13 HA ARG 68 HB1 ARG 68 63.728 11.182 0.538
No H/Q in entry = 13
Start of MODEL 11
1 H GLY 69 H GLY 69 61.639 10.315 0.149
2 HA2 GLY 69 HA3 GLY 69 60.046 8.827 -0.718
3 HA3 GLY 69 HXT GLY 69 61.416 7.877 -1.291
No H/Q in entry = 3
Start of MODEL 11
1 H SER 70 H SER 70 61.045 11.178 -2.387
2 HG SER 70 HXT SER 70 61.794 13.895 -4.131
3 HA SER 70 HB1 SER 70 59.368 10.686 -4.681
4 HB3 SER 70 HG3 SER 70 59.820 12.880 -3.551
5 HB2 SER 70 HG2 SER 70 60.059 12.942 -5.296
No H/Q in entry = 5
Start of MODEL 11
1 H ASP 71 H ASP 71 62.900 10.631 -4.215
2 HA ASP 71 HB1 ASP 71 63.419 10.417 -7.102
3 HB3 ASP 71 HG3 ASP 71 64.905 11.659 -5.574
4 HB2 ASP 71 HG2 ASP 71 65.776 10.340 -6.350
No H/Q in entry = 4
Start of MODEL 11
1 H ILE 72 H ILE 72 63.269 8.214 -4.332
2 HB ILE 72 HG12 ILE 72 64.019 6.464 -3.185
3 HG12 ILE 72 HG13 ILE 72 66.074 4.993 -4.800
4 HG13 ILE 72 HG21 ILE 72 65.901 6.730 -5.045
5 HG21 ILE 72 HG22 ILE 72 64.130 3.712 -4.469
6 HG22 ILE 72 HG23 ILE 72 64.520 4.068 -2.786
7 HD11 ILE 72 HD12 ILE 72 66.191 5.528 -2.296
8 HD12 ILE 72 HD13 ILE 72 67.589 5.993 -3.271
9 HG23 ILE 72 HXT ILE 72 62.872 4.283 -3.375
10 HD13 ILE 72 HXT ILE 72 66.408 7.207 -2.779
11 HA ILE 72 HB1 ILE 72 63.945 5.934 -6.146
No H/Q in entry = 11
Start of MODEL 11
1 H LYS 73 H LYS 73 62.458 4.272 -6.503
2 HB2 LYS 73 HG2 LYS 73 60.711 5.024 -8.364
3 HB3 LYS 73 HG3 LYS 73 60.797 3.276 -8.135
4 HG2 LYS 73 HG3 LYS 73 58.339 3.216 -7.796
5 HG3 LYS 73 HD2 LYS 73 58.271 4.953 -8.095
6 HD2 LYS 73 HD3 LYS 73 59.323 4.542 -10.341
7 HE2 LYS 73 HE3 LYS 73 56.681 3.188 -9.687
8 HE3 LYS 73 HZ1 LYS 73 56.927 4.840 -10.289
9 HZ1 LYS 73 HZ2 LYS 73 57.977 3.912 -12.270
10 HZ2 LYS 73 HZ3 LYS 73 57.680 2.337 -11.707
11 HD3 LYS 73 HXT LYS 73 59.168 2.811 -10.040
12 HZ3 LYS 73 HXT LYS 73 56.383 3.356 -12.114
13 HA LYS 73 HB1 LYS 73 59.646 5.175 -6.075
No H/Q in entry = 13
Start of MODEL 11
1 H ASP 74 H ASP 74 61.830 2.539 -5.297
2 HA ASP 74 HB1 ASP 74 59.556 1.135 -3.992
3 HB3 ASP 74 HG3 ASP 74 61.383 -0.245 -5.982
4 HB2 ASP 74 HG2 ASP 74 59.776 0.356 -6.392
No H/Q in entry = 4
Start of MODEL 11
1 H ILE 75 H ILE 75 60.185 0.354 -2.057
2 HB ILE 75 HG12 ILE 75 62.547 1.839 -0.708
3 HG12 ILE 75 HG13 ILE 75 62.715 -0.137 1.577
4 HG13 ILE 75 HG21 ILE 75 64.064 0.139 0.474
5 HG21 ILE 75 HG22 ILE 75 60.440 0.356 0.895
6 HG22 ILE 75 HG23 ILE 75 60.918 2.033 1.156
7 HD11 ILE 75 HD12 ILE 75 63.623 2.675 1.028
8 HD12 ILE 75 HD13 ILE 75 62.826 2.022 2.459
9 HG23 ILE 75 HXT ILE 75 60.135 1.564 -0.353
10 HD13 ILE 75 HXT ILE 75 64.531 1.678 2.164
11 HA ILE 75 HB1 ILE 75 63.058 -0.397 -1.649
No H/Q in entry = 11
Start of MODEL 11
1 H ARG 76 H ARG 76 63.340 -2.298 -0.442
2 HB2 ARG 76 HG2 ARG 76 62.595 -4.723 -1.345
3 HB3 ARG 76 HG3 ARG 76 61.486 -5.651 -0.336
4 HG2 ARG 76 HD2 ARG 76 59.679 -3.987 -0.972
5 HG3 ARG 76 HD3 ARG 76 60.807 -3.327 -2.155
6 HD2 ARG 76 HD3 ARG 76 60.000 -6.256 -2.065
7 HE ARG 76 HH12 ARG 76 62.160 -5.019 -3.302
8 HH11 ARG 76 HH21 ARG 76 59.264 -6.604 -4.461
9 HH12 ARG 76 HH22 ARG 76 60.016 -7.120 -5.929
10 HD3 ARG 76 HXT ARG 76 59.251 -5.053 -3.132
11 HH21 ARG 76 HXT ARG 76 63.090 -5.708 -5.213
12 HH22 ARG 76 H1 ARG 76 62.158 -6.620 -6.353
13 HA ARG 76 HB1 ARG 76 60.990 -3.512 0.927
No H/Q in entry = 13
Start of MODEL 11
1 H VAL 77 H VAL 77 61.620 -4.555 2.783
2 HB VAL 77 HG12 VAL 77 61.984 -5.414 5.013
3 HG11 VAL 77 HG12 VAL 77 64.820 -4.852 5.936
4 HG12 VAL 77 HG13 VAL 77 63.443 -5.130 7.001
5 HG13 VAL 77 HG21 VAL 77 64.020 -6.423 5.950
6 HG21 VAL 77 HG22 VAL 77 63.485 -2.827 4.645
7 HG22 VAL 77 HG23 VAL 77 61.745 -3.111 4.617
8 HG23 VAL 77 HXT VAL 77 62.617 -3.136 6.150
9 HA VAL 77 HB1 VAL 77 64.494 -4.652 3.469
No H/Q in entry = 9
Start of MODEL 11
1 H VAL 78 H VAL 78 65.658 -6.588 3.794
2 HB VAL 78 HG12 VAL 78 67.285 -8.352 3.525
3 HG11 VAL 78 HG12 VAL 78 66.830 -10.787 3.411
4 HG12 VAL 78 HG13 VAL 78 66.278 -10.595 1.747
5 HG13 VAL 78 HG21 VAL 78 67.963 -10.281 2.157
6 HG21 VAL 78 HG22 VAL 78 65.853 -8.086 0.882
7 HG22 VAL 78 HG23 VAL 78 66.848 -6.895 1.719
8 HG23 VAL 78 HXT VAL 78 67.605 -8.285 0.942
9 HA VAL 78 HB1 VAL 78 64.471 -9.035 2.592
No H/Q in entry = 9
Start of MODEL 11
1 H ASN 79 H ASN 79 63.935 -10.818 3.819
2 HD21 ASN 79 HD22 ASN 79 61.574 -13.706 6.826
3 HD22 ASN 79 HXT ASN 79 61.507 -13.440 8.501
4 HA ASN 79 HB1 ASN 79 64.480 -10.695 6.768
5 HB3 ASN 79 HG3 ASN 79 62.314 -12.227 5.307
6 HB2 ASN 79 HG2 ASN 79 62.110 -10.549 5.811
No H/Q in entry = 6
Start of MODEL 11
1 H ASN 80 H ASN 80 64.694 -12.894 7.798
2 HD21 ASN 80 HD22 ASN 80 68.736 -15.028 7.270
3 HD22 ASN 80 HXT ASN 80 69.081 -16.615 7.762
4 HA ASN 80 HB1 ASN 80 66.483 -14.616 6.182
5 HB3 ASN 80 HG3 ASN 80 65.636 -14.802 9.091
6 HB2 ASN 80 HG2 ASN 80 66.966 -13.791 8.523
No H/Q in entry = 6
Start of MODEL 11
1 H HIS 81 H HIS 81 65.847 -16.579 5.364
2 HD1 HIS 81 HD2 HIS 81 61.010 -17.970 4.727
3 HD2 HIS 81 HE1 HIS 81 63.662 -20.034 2.260
4 HE1 HIS 81 HE2 HIS 81 59.685 -19.848 3.664
5 HA HIS 81 HB1 HIS 81 63.161 -17.648 6.183
6 HB3 HIS 81 HG3 HIS 81 64.643 -17.816 3.546
7 HB2 HIS 81 HG2 HIS 81 63.366 -16.668 3.903
No H/Q in entry = 7
Start of MODEL 11
1 H THR 82 H THR 82 62.979 -20.028 6.055
2 HG1 THR 82 HG21 THR 82 63.097 -20.356 8.591
3 HG21 THR 82 HG22 THR 82 65.540 -23.034 8.333
4 HG22 THR 82 HG23 THR 82 64.065 -23.429 9.214
5 HG23 THR 82 HXT THR 82 64.293 -24.017 7.567
6 HA THR 82 HB1 THR 82 65.590 -21.401 6.608
7 HB THR 82 HG12 THR 82 62.777 -22.140 7.474
No H/Q in entry = 7
Start of MODEL 11
1 H LEU 83 H LEU 83 66.034 -23.312 5.488
2 HD11 LEU 83 HD12 LEU 83 66.493 -27.546 3.954
3 HD12 LEU 83 HD13 LEU 83 68.191 -27.185 4.265
4 HD13 LEU 83 HD21 LEU 83 67.143 -27.707 5.585
5 HD21 LEU 83 HD22 LEU 83 67.975 -23.896 5.329
6 HD22 LEU 83 HD23 LEU 83 68.107 -25.118 6.593
7 HG LEU 83 HXT LEU 83 66.026 -25.649 5.685
8 HD23 LEU 83 HXT LEU 83 68.949 -25.341 5.060
9 HA LEU 83 HB1 LEU 83 64.720 -23.772 2.958
10 HB3 LEU 83 HG3 LEU 83 67.096 -24.239 3.366
11 HB2 LEU 83 HG2 LEU 83 66.277 -25.714 2.867
No H/Q in entry = 11
Start of MODEL 11
1 HB2 PRO 84 HG2 PRO 84 62.321 -28.502 1.903
2 HB3 PRO 84 HG3 PRO 84 60.853 -27.512 2.003
3 HG2 PRO 84 HD2 PRO 84 62.829 -27.037 0.230
4 HG3 PRO 84 HD3 PRO 84 61.795 -25.764 0.895
5 HD2 PRO 84 HD3 PRO 84 64.609 -26.454 1.570
6 HD3 PRO 84 HXT PRO 84 63.807 -24.869 1.521
7 HA PRO 84 HB1 PRO 84 61.497 -26.590 3.994
No H/Q in entry = 7
Start of MODEL 12
1 H1 GLY -3 H1 GLY -3 41.050 5.214 15.685
2 H2 GLY -3 H2 GLY -3 40.316 5.040 14.166
3 H3 GLY -3 H3 GLY -3 40.685 3.664 15.092
4 HA2 GLY -3 HA3 GLY -3 42.561 5.491 13.710
5 HA3 GLY -3 HXT GLY -3 42.345 3.759 13.454
No H/Q in entry = 5
Start of MODEL 12
1 H ALA -2 H ALA -2 42.278 2.854 16.094
2 HA ALA -2 HB1 ALA -2 44.834 3.791 17.327
3 HB1 ALA -2 HB2 ALA -2 42.537 3.626 18.513
4 HB2 ALA -2 HB3 ALA -2 43.927 2.928 19.345
5 HB3 ALA -2 HXT ALA -2 42.797 1.882 18.484
No H/Q in entry = 5
Start of MODEL 12
1 H MET -1 H MET -1 44.715 2.016 14.922
2 HB2 MET -1 HG2 MET -1 43.765 -0.544 14.565
3 HB3 MET -1 HG3 MET -1 44.790 0.076 13.270
4 HE1 MET -1 HE2 MET -1 45.894 -4.285 13.022
5 HE2 MET -1 HE3 MET -1 44.275 -4.943 13.243
6 HE3 MET -1 HXT MET -1 44.916 -4.729 11.617
7 HA MET -1 HB1 MET -1 45.806 -0.535 16.062
8 HG3 MET -1 HD3 MET -1 45.174 -2.540 14.755
9 HG2 MET -1 HD2 MET -1 46.273 -1.906 13.531
No H/Q in entry = 9
Start of MODEL 12
1 H ALA 0 H ALA 0 47.916 -1.100 15.553
2 HA ALA 0 HB1 ALA 0 49.526 0.884 14.008
3 HB1 ALA 0 HB2 ALA 0 50.601 -1.410 15.633
4 HB2 ALA 0 HB3 ALA 0 51.304 0.186 15.370
5 HB3 ALA 0 HXT ALA 0 49.925 -0.002 16.454
No H/Q in entry = 5
Start of MODEL 12
1 H MET 1 H MET 1 50.672 0.248 12.173
2 HB2 MET 1 HG2 MET 1 50.862 0.256 10.006
3 HB3 MET 1 HG3 MET 1 52.385 -0.618 10.172
4 HE1 MET 1 HE2 MET 1 52.081 -1.622 6.163
5 HE2 MET 1 HE3 MET 1 53.687 -1.303 6.813
6 HE3 MET 1 HXT MET 1 53.318 -2.886 6.133
7 HA MET 1 HB1 MET 1 49.792 -2.058 10.681
8 HG3 MET 1 HD3 MET 1 51.190 -0.593 7.844
9 HG2 MET 1 HD2 MET 1 50.133 -1.804 8.566
No H/Q in entry = 9
Start of MODEL 12
1 H SER 2 H SER 2 52.635 -1.425 12.710
2 HG SER 2 HXT SER 2 56.409 -3.450 13.519
3 HA SER 2 HB1 SER 2 53.411 -4.315 12.428
4 HB3 SER 2 HG3 SER 2 55.156 -1.870 12.875
5 HB2 SER 2 HG2 SER 2 54.936 -2.677 11.325
No H/Q in entry = 5
Start of MODEL 12
1 H GLY 3 H GLY 3 53.790 -5.407 14.359
2 HA2 GLY 3 HA3 GLY 3 53.010 -5.608 16.679
3 HA3 GLY 3 HXT GLY 3 53.293 -3.878 16.878
No H/Q in entry = 3
Start of MODEL 12
1 H GLY 4 H GLY 4 55.324 -6.525 15.577
2 HA2 GLY 4 HA3 GLY 4 57.408 -7.336 16.324
3 HA3 GLY 4 HXT GLY 4 57.155 -6.457 17.832
No H/Q in entry = 3
Start of MODEL 12
1 H LEU 5 H LEU 5 59.060 -5.319 18.022
2 HD11 LEU 5 HD12 LEU 5 59.882 -0.784 18.523
3 HD12 LEU 5 HD13 LEU 5 61.108 0.026 17.549
4 HD13 LEU 5 HD21 LEU 5 59.883 -0.975 16.770
5 HD21 LEU 5 HD22 LEU 5 62.886 -2.798 19.176
6 HD22 LEU 5 HD23 LEU 5 63.128 -1.129 18.658
7 HG LEU 5 HXT LEU 5 61.973 -2.223 16.863
8 HD23 LEU 5 HXT LEU 5 61.847 -1.519 19.807
9 HA LEU 5 HB1 LEU 5 59.537 -3.084 16.185
10 HB3 LEU 5 HG3 LEU 5 61.183 -4.083 18.526
11 HB2 LEU 5 HG2 LEU 5 59.750 -3.071 18.706
No H/Q in entry = 11
Start of MODEL 12
1 HB2 PRO 6 HG2 PRO 6 62.865 -3.908 11.844
2 HB3 PRO 6 HG3 PRO 6 61.435 -4.957 11.793
3 HG2 PRO 6 HD2 PRO 6 61.673 -2.124 12.649
4 HG3 PRO 6 HD3 PRO 6 60.363 -2.938 11.778
5 HD2 PRO 6 HD3 PRO 6 60.227 -2.320 14.415
6 HD3 PRO 6 HXT PRO 6 59.392 -3.718 13.702
7 HA PRO 6 HB1 PRO 6 62.261 -5.812 13.763
No H/Q in entry = 7
Start of MODEL 12
1 H GLU 7 H GLU 7 64.471 -6.049 14.003
2 HB2 GLU 7 HG2 GLU 7 66.775 -6.483 13.761
3 HB3 GLU 7 HG3 GLU 7 67.872 -5.775 14.948
4 HA GLU 7 HB1 GLU 7 65.977 -4.299 15.710
5 HG3 GLU 7 HD3 GLU 7 65.282 -7.232 15.552
6 HG2 GLU 7 HD2 GLU 7 66.304 -6.452 16.760
No H/Q in entry = 6
Start of MODEL 12
1 H LEU 8 H LEU 8 67.124 -2.469 15.213
2 HD11 LEU 8 HD12 LEU 8 68.116 1.866 15.631
3 HD12 LEU 8 HD13 LEU 8 66.535 1.661 16.386
4 HD13 LEU 8 HD21 LEU 8 67.863 0.580 16.811
5 HD21 LEU 8 HD22 LEU 8 66.951 1.653 13.310
6 HD22 LEU 8 HD23 LEU 8 65.844 0.300 13.076
7 HG LEU 8 HXT LEU 8 66.340 -0.569 15.284
8 HD23 LEU 8 HXT LEU 8 65.461 1.558 14.250
9 HA LEU 8 HB1 LEU 8 67.128 -1.240 12.621
10 HB3 LEU 8 HG3 LEU 8 68.796 0.275 13.726
11 HB2 LEU 8 HG2 LEU 8 68.859 -0.851 15.082
No H/Q in entry = 11
Start of MODEL 12
1 H GLY 9 H GLY 9 69.176 -0.704 11.386
2 HA2 GLY 9 HA3 GLY 9 71.518 -2.409 11.707
3 HA3 GLY 9 HXT GLY 9 71.251 -1.229 10.445
No H/Q in entry = 3
Start of MODEL 12
1 H SER 10 H SER 10 68.522 -3.118 10.373
2 HG SER 10 HXT SER 10 66.703 -6.053 10.336
3 HA SER 10 HB1 SER 10 69.336 -5.561 9.147
4 HB3 SER 10 HG3 SER 10 66.997 -5.568 8.315
5 HB2 SER 10 HG2 SER 10 66.853 -3.864 8.738
No H/Q in entry = 5
Start of MODEL 12
1 H LYS 11 H LYS 11 69.479 -6.138 6.902
2 HB2 LYS 11 HG2 LYS 11 71.106 -5.896 3.715
3 HB3 LYS 11 HG3 LYS 11 71.504 -6.312 5.378
4 HG2 LYS 11 HG3 LYS 11 69.269 -7.499 5.523
5 HG3 LYS 11 HD2 LYS 11 69.091 -7.230 3.790
6 HD2 LYS 11 HD3 LYS 11 71.365 -8.358 3.518
7 HE2 LYS 11 HE3 LYS 11 68.829 -9.716 4.406
8 HE3 LYS 11 HZ1 LYS 11 69.619 -9.740 2.816
9 HZ1 LYS 11 HZ2 LYS 11 71.457 -10.978 3.793
10 HZ2 LYS 11 HZ3 LYS 11 70.675 -10.985 5.301
11 HD3 LYS 11 HXT LYS 11 71.210 -8.858 5.202
12 HZ3 LYS 11 HXT LYS 11 69.999 -11.822 3.986
13 HA LYS 11 HB1 LYS 11 70.531 -4.018 5.167
No H/Q in entry = 13
Start of MODEL 12
1 H ILE 12 H ILE 12 69.325 -2.879 3.722
2 HB ILE 12 HG12 ILE 12 67.536 -1.141 3.318
3 HG12 ILE 12 HG13 ILE 12 65.511 -2.844 4.804
4 HG13 ILE 12 HG21 ILE 12 67.168 -2.604 5.356
5 HG21 ILE 12 HG22 ILE 12 65.888 -1.364 1.483
6 HG22 ILE 12 HG23 ILE 12 64.842 -2.311 2.541
7 HD11 ILE 12 HD12 ILE 12 66.740 -0.117 5.294
8 HD12 ILE 12 HD13 ILE 12 65.044 -0.477 4.972
9 HG23 ILE 12 HXT ILE 12 65.160 -0.615 2.903
10 HD13 ILE 12 HXT ILE 12 65.781 -0.986 6.492
11 HA ILE 12 HB1 ILE 12 66.697 -4.023 2.826
No H/Q in entry = 11
Start of MODEL 12
1 H SER 13 H SER 13 66.272 -3.943 0.628
2 HG SER 13 HXT SER 13 68.393 -4.415 -3.165
3 HA SER 13 HB1 SER 13 68.448 -2.995 -1.179
4 HB3 SER 13 HG3 SER 13 65.993 -4.718 -1.675
5 HB2 SER 13 HG2 SER 13 67.592 -5.347 -1.290
No H/Q in entry = 5
Start of MODEL 12
1 H LEU 14 H LEU 14 68.012 -1.364 -2.693
2 HD11 LEU 14 HD12 LEU 14 65.379 1.704 -0.056
3 HD12 LEU 14 HD13 LEU 14 64.577 3.110 -0.759
4 HD13 LEU 14 HD21 LEU 14 64.363 1.517 -1.486
5 HD21 LEU 14 HD22 LEU 14 67.738 3.174 -0.499
6 HD22 LEU 14 HD23 LEU 14 67.726 3.983 -2.067
7 HG LEU 14 HXT LEU 14 65.943 2.676 -2.867
8 HD23 LEU 14 HXT LEU 14 66.452 4.315 -0.893
9 HA LEU 14 HB1 LEU 14 65.365 0.019 -2.448
10 HB3 LEU 14 HG3 LEU 14 68.067 1.378 -2.420
11 HB2 LEU 14 HG2 LEU 14 67.320 0.791 -0.935
No H/Q in entry = 11
Start of MODEL 12
1 H ILE 15 H ILE 15 64.562 0.457 -4.473
2 HB ILE 15 HG12 ILE 15 63.440 0.032 -6.600
3 HG12 ILE 15 HG13 ILE 15 65.579 -2.030 -7.207
4 HG13 ILE 15 HG21 ILE 15 64.954 -1.760 -5.580
5 HG21 ILE 15 HG22 ILE 15 64.306 0.938 -8.798
6 HG22 ILE 15 HG23 ILE 15 65.291 -0.517 -8.940
7 HD11 ILE 15 HD12 ILE 15 62.639 -2.171 -6.472
8 HD12 ILE 15 HD13 ILE 15 63.367 -2.612 -8.017
9 HG23 ILE 15 HXT ILE 15 63.532 -0.641 -8.921
10 HD13 ILE 15 HXT ILE 15 63.699 -3.578 -6.579
11 HA ILE 15 HB1 ILE 15 66.455 0.427 -6.797
No H/Q in entry = 11
Start of MODEL 12
1 H SER 16 H SER 16 66.943 2.429 -7.572
2 HG SER 16 HXT SER 16 68.487 5.297 -6.053
3 HA SER 16 HB1 SER 16 65.240 4.764 -6.917
4 HB3 SER 16 HG3 SER 16 67.208 6.005 -7.654
5 HB2 SER 16 HG2 SER 16 67.919 4.534 -8.312
No H/Q in entry = 5
Start of MODEL 12
1 H LYS 17 H LYS 17 64.695 6.328 -8.627
2 HB2 LYS 17 HG2 LYS 17 63.040 7.512 -9.601
3 HB3 LYS 17 HG3 LYS 17 64.379 7.969 -10.654
4 HG2 LYS 17 HG3 LYS 17 63.000 7.377 -12.633
5 HG3 LYS 17 HD2 LYS 17 61.654 6.990 -11.560
6 HD2 LYS 17 HD3 LYS 17 61.765 9.335 -10.672
7 HE2 LYS 17 HE3 LYS 17 60.350 8.485 -12.724
8 HE3 LYS 17 HZ1 LYS 17 60.489 10.234 -12.457
9 HZ1 LYS 17 HZ2 LYS 17 62.408 10.273 -13.926
10 HZ2 LYS 17 HZ3 LYS 17 62.265 8.605 -14.197
11 HD3 LYS 17 HXT LYS 17 62.985 9.693 -11.895
12 HZ3 LYS 17 HXT LYS 17 61.051 9.660 -14.744
13 HA LYS 17 HB1 LYS 17 63.099 5.227 -10.661
No H/Q in entry = 13
Start of MODEL 12
1 H ALA 18 H ALA 18 66.539 5.614 -10.774
2 HA ALA 18 HB1 ALA 18 66.672 5.826 -13.716
3 HB1 ALA 18 HB2 ALA 18 69.196 5.599 -13.026
4 HB2 ALA 18 HB3 ALA 18 68.327 7.069 -12.583
5 HB3 ALA 18 HXT ALA 18 68.585 5.802 -11.382
No H/Q in entry = 5
Start of MODEL 12
1 H ASP 19 H ASP 19 65.583 3.357 -12.173
2 HA ASP 19 HB1 ASP 19 65.784 1.017 -12.156
3 HB3 ASP 19 HG3 ASP 19 66.710 0.106 -14.305
4 HB2 ASP 19 HG2 ASP 19 67.236 1.731 -14.730
No H/Q in entry = 4
Start of MODEL 12
1 H ILE 20 H ILE 20 67.812 2.614 -10.763
2 HB ILE 20 HG12 ILE 20 69.739 3.430 -9.415
3 HG12 ILE 20 HG13 ILE 20 71.180 3.180 -12.074
4 HG13 ILE 20 HG21 ILE 20 69.527 3.761 -11.904
5 HG21 ILE 20 HG22 ILE 20 72.309 2.028 -10.221
6 HG22 ILE 20 HG23 ILE 20 72.218 3.555 -9.344
7 HD11 ILE 20 HD12 ILE 20 70.397 5.523 -10.314
8 HD12 ILE 20 HD13 ILE 20 72.029 5.023 -10.759
9 HG23 ILE 20 HXT ILE 20 71.623 2.073 -8.597
10 HD13 ILE 20 HXT ILE 20 70.952 5.702 -11.978
11 HA ILE 20 HB1 ILE 20 70.268 0.925 -11.057
No H/Q in entry = 11
Start of MODEL 12
1 H ARG 21 H ARG 21 70.893 -0.445 -9.361
2 HB2 ARG 21 HG2 ARG 21 69.454 -2.641 -8.740
3 HB3 ARG 21 HG3 ARG 21 71.103 -2.627 -8.113
4 HG2 ARG 21 HD2 ARG 21 70.222 -3.046 -5.831
5 HG3 ARG 21 HD3 ARG 21 68.588 -3.121 -6.492
6 HD2 ARG 21 HD3 ARG 21 69.307 -5.014 -7.964
7 HE ARG 21 HH12 ARG 21 69.124 -5.082 -5.043
8 HH11 ARG 21 HH21 ARG 21 69.553 -7.029 -7.920
9 HH12 ARG 21 HH22 ARG 21 68.942 -8.457 -7.163
10 HD3 ARG 21 HXT ARG 21 70.890 -4.987 -7.166
11 HH21 ARG 21 HXT ARG 21 68.344 -6.954 -4.108
12 HH22 ARG 21 H1 ARG 21 68.265 -8.418 -5.029
13 HA ARG 21 HB1 ARG 21 68.917 -0.759 -7.136
No H/Q in entry = 13
Start of MODEL 12
1 H TYR 22 H TYR 22 69.552 0.192 -5.269
2 HD1 TYR 22 HD2 TYR 22 73.573 2.992 -4.249
3 HD2 TYR 22 HE1 TYR 22 69.584 2.708 -5.900
4 HE1 TYR 22 HE2 TYR 22 74.193 4.625 -6.033
5 HE2 TYR 22 HH TYR 22 70.205 4.345 -7.689
6 HH TYR 22 HXT TYR 22 72.456 6.380 -7.616
7 HA TYR 22 HB1 TYR 22 72.451 0.149 -4.507
8 HB3 TYR 22 HG3 TYR 22 71.726 1.998 -2.973
9 HB2 TYR 22 HG2 TYR 22 70.115 1.876 -3.646
No H/Q in entry = 9
Start of MODEL 12
1 H GLU 23 H GLU 23 72.948 -0.753 -2.452
2 HB2 GLU 23 HG2 GLU 23 71.564 -3.488 -2.298
3 HB3 GLU 23 HG3 GLU 23 73.123 -3.315 -1.493
4 HA GLU 23 HB1 GLU 23 70.659 -1.699 -0.764
5 HG3 GLU 23 HD3 GLU 23 70.508 -4.139 -0.200
6 HG2 GLU 23 HD2 GLU 23 72.004 -3.832 0.685
No H/Q in entry = 6
Start of MODEL 12
1 H GLY 24 H GLY 24 71.098 -1.521 1.463
2 HA2 GLY 24 HA3 GLY 24 72.885 0.435 2.342
3 HA3 GLY 24 HXT GLY 24 73.785 -1.073 2.487
No H/Q in entry = 3
Start of MODEL 12
1 H ARG 25 H ARG 25 73.634 -0.194 4.832
2 HB2 ARG 25 HG2 ARG 25 73.913 -0.027 7.104
3 HB3 ARG 25 HG3 ARG 25 72.931 -0.969 8.226
4 HG2 ARG 25 HD2 ARG 25 73.515 -3.032 6.949
5 HG3 ARG 25 HD3 ARG 25 74.579 -2.064 5.929
6 HD2 ARG 25 HD3 ARG 25 75.818 -1.357 8.017
7 HE ARG 25 HH12 ARG 25 76.076 -3.677 6.523
8 HH11 ARG 25 HH21 ARG 25 76.586 -2.904 9.899
9 HH12 ARG 25 HH22 ARG 25 77.804 -4.114 10.092
10 HD3 ARG 25 HXT ARG 25 74.849 -2.539 8.914
11 HH21 ARG 25 HXT ARG 25 77.656 -5.226 6.821
12 HH22 ARG 25 H1 ARG 25 78.406 -5.415 8.371
13 HA ARG 25 HB1 ARG 25 71.590 -1.779 6.247
No H/Q in entry = 13
Start of MODEL 12
1 H LEU 26 H LEU 26 69.773 -0.940 7.238
2 HD11 LEU 26 HD12 LEU 26 66.859 1.898 6.400
3 HD12 LEU 26 HD13 LEU 26 65.326 1.169 6.877
4 HD13 LEU 26 HD21 LEU 26 65.699 2.827 7.347
5 HD21 LEU 26 HD22 LEU 26 65.284 -0.192 8.800
6 HD22 LEU 26 HD23 LEU 26 66.148 0.306 10.255
7 HG LEU 26 HXT LEU 26 67.181 2.169 9.013
8 HD23 LEU 26 HXT LEU 26 64.908 1.353 9.563
9 HA LEU 26 HB1 LEU 26 68.843 1.745 6.855
10 HB3 LEU 26 HG3 LEU 26 68.106 -0.242 9.021
11 HB2 LEU 26 HG2 LEU 26 67.527 -0.333 7.358
No H/Q in entry = 11
Start of MODEL 12
1 H TYR 27 H TYR 27 69.812 3.538 7.816
2 HD1 TYR 27 HD2 TYR 27 73.046 3.848 11.235
3 HD2 TYR 27 HE1 TYR 27 71.965 7.556 9.289
4 HE1 TYR 27 HE2 TYR 27 74.416 5.116 12.891
5 HE2 TYR 27 HH TYR 27 73.335 8.823 10.950
6 HH TYR 27 HXT TYR 27 75.486 8.118 12.489
7 HA TYR 27 HB1 TYR 27 71.062 3.266 10.508
8 HB3 TYR 27 HG3 TYR 27 71.051 5.551 8.523
9 HB2 TYR 27 HG2 TYR 27 72.243 4.264 8.530
No H/Q in entry = 9
Start of MODEL 12
1 H THR 28 H THR 28 68.777 5.416 8.764
2 HG1 THR 28 HG21 THR 28 68.418 8.416 8.929
3 HG21 THR 28 HG22 THR 28 68.637 6.846 12.656
4 HG22 THR 28 HG23 THR 28 70.063 6.967 11.626
5 HG23 THR 28 HXT THR 28 69.359 8.422 12.330
6 HA THR 28 HB1 THR 28 67.209 5.799 11.248
7 HB THR 28 HG12 THR 28 67.477 8.338 10.904
No H/Q in entry = 7
Start of MODEL 12
1 H VAL 29 H VAL 29 65.117 6.743 10.811
2 HB VAL 29 HG12 VAL 29 64.105 4.777 8.515
3 HG11 VAL 29 HG12 VAL 29 63.688 5.116 10.952
4 HG12 VAL 29 HG13 VAL 29 62.100 5.774 10.561
5 HG13 VAL 29 HG21 VAL 29 62.472 4.090 10.191
6 HG21 VAL 29 HG22 VAL 29 61.744 6.533 7.922
7 HG22 VAL 29 HG23 VAL 29 62.577 5.389 6.872
8 HG23 VAL 29 HXT VAL 29 61.492 4.801 8.129
9 HA VAL 29 HB1 VAL 29 64.410 7.182 7.950
No H/Q in entry = 9
Start of MODEL 12
1 H ASP 30 H ASP 30 62.685 8.645 7.683
2 HA ASP 30 HB1 ASP 30 61.389 9.692 10.178
3 HB3 ASP 30 HG3 ASP 30 62.073 11.325 7.729
4 HB2 ASP 30 HG2 ASP 30 63.255 11.064 9.012
No H/Q in entry = 4
Start of MODEL 12
1 HB2 PRO 31 HG2 PRO 31 56.401 8.612 9.791
2 HB3 PRO 31 HG3 PRO 31 56.622 7.090 8.906
3 HG2 PRO 31 HD2 PRO 31 57.635 7.480 11.355
4 HG3 PRO 31 HD3 PRO 31 58.442 6.477 10.139
5 HD2 PRO 31 HD3 PRO 31 59.113 9.221 11.070
6 HD3 PRO 31 HXT PRO 31 60.186 7.906 10.539
7 HA PRO 31 HB1 PRO 31 58.117 8.028 7.441
No H/Q in entry = 7
Start of MODEL 12
1 H GLN 32 H GLN 32 57.825 10.929 9.505
2 HB2 GLN 32 HG2 GLN 32 55.894 12.174 10.487
3 HB3 GLN 32 HG3 GLN 32 57.204 13.292 10.101
4 HE21 GLN 32 HE22 GLN 32 56.232 16.317 10.322
5 HE22 GLN 32 HXT GLN 32 55.650 16.434 11.912
6 HA GLN 32 HB1 GLN 32 55.501 11.914 7.996
7 HG3 GLN 32 HD3 GLN 32 54.284 13.619 9.347
8 HG2 GLN 32 HD2 GLN 32 55.580 14.704 8.839
No H/Q in entry = 8
Start of MODEL 12
1 H GLU 33 H GLU 33 58.977 12.445 8.008
2 HB2 GLU 33 HG2 GLU 33 61.065 13.027 7.223
3 HB3 GLU 33 HG3 GLU 33 61.299 14.426 6.177
4 HA GLU 33 HB1 GLU 33 58.795 14.719 6.137
5 HG3 GLU 33 HD3 GLU 33 61.514 14.927 8.645
6 HG2 GLU 33 HD2 GLU 33 59.802 14.539 8.809
No H/Q in entry = 6
Start of MODEL 12
1 H CYS 34 H CYS 34 58.242 11.448 5.714
2 HG CYS 34 HXT CYS 34 55.811 11.489 2.251
3 HA CYS 34 HB1 CYS 34 58.466 9.929 3.927
4 HB3 CYS 34 HG3 CYS 34 58.236 11.129 1.697
5 HB2 CYS 34 HG2 CYS 34 58.372 12.645 2.587
No H/Q in entry = 5
Start of MODEL 12
1 H THR 35 H THR 35 60.994 10.592 5.176
2 HG1 THR 35 HG21 THR 35 63.489 12.383 6.138
3 HG21 THR 35 HG22 THR 35 61.819 12.784 2.844
4 HG22 THR 35 HG23 THR 35 62.807 14.018 3.626
5 HG23 THR 35 HXT THR 35 63.498 13.008 2.356
6 HA THR 35 HB1 THR 35 62.842 10.454 2.815
7 HB THR 35 HG12 THR 35 64.333 11.982 4.273
No H/Q in entry = 7
Start of MODEL 12
1 H ILE 36 H ILE 36 64.810 9.303 3.251
2 HB ILE 36 HG12 ILE 36 65.395 5.838 4.824
3 HG12 ILE 36 HG13 ILE 36 64.316 7.188 2.332
4 HG13 ILE 36 HG21 ILE 36 66.036 6.883 2.579
5 HG21 ILE 36 HG22 ILE 36 63.118 6.893 5.617
6 HG22 ILE 36 HG23 ILE 36 62.748 6.907 3.893
7 HD11 ILE 36 HD12 ILE 36 65.353 4.438 3.035
8 HD12 ILE 36 HD13 ILE 36 63.799 4.872 2.323
9 HG23 ILE 36 HXT ILE 36 63.114 5.384 4.705
10 HD13 ILE 36 HXT ILE 36 65.274 4.996 1.364
11 HA ILE 36 HB1 ILE 36 65.096 8.052 5.943
No H/Q in entry = 11
Start of MODEL 12
1 H ALA 37 H ALA 37 67.287 7.143 6.259
2 HA ALA 37 HB1 ALA 37 69.316 7.979 4.226
3 HB1 ALA 37 HB2 ALA 37 68.883 9.467 6.398
4 HB2 ALA 37 HB3 ALA 37 70.523 9.184 5.809
5 HB3 ALA 37 HXT ALA 37 69.895 8.236 7.159
No H/Q in entry = 5
Start of MODEL 12
1 H LEU 38 H LEU 38 70.661 6.309 3.759
2 HD11 LEU 38 HD12 LEU 38 69.562 2.118 1.681
3 HD12 LEU 38 HD13 LEU 38 67.929 2.774 1.800
4 HD13 LEU 38 HD21 LEU 38 69.234 3.768 1.151
5 HD21 LEU 38 HD22 LEU 38 69.515 1.721 4.434
6 HD22 LEU 38 HD23 LEU 38 68.630 3.003 5.261
7 HG LEU 38 HXT LEU 38 68.796 4.469 3.436
8 HD23 LEU 38 HXT LEU 38 67.851 2.082 3.975
9 HA LEU 38 HB1 LEU 38 70.661 3.926 5.579
10 HB3 LEU 38 HG3 LEU 38 71.277 2.731 3.463
11 HB2 LEU 38 HG2 LEU 38 71.185 4.270 2.606
No H/Q in entry = 11
Start of MODEL 12
1 H SER 39 H SER 39 72.687 3.010 6.150
2 HG SER 39 HXT SER 39 74.594 2.719 9.025
3 HA SER 39 HB1 SER 39 75.077 4.727 5.532
4 HB3 SER 39 HG3 SER 39 74.204 4.761 7.876
5 HB2 SER 39 HG2 SER 39 75.829 4.086 7.785
No H/Q in entry = 5
Start of MODEL 12
1 H SER 40 H SER 40 77.110 3.535 5.293
2 HG SER 40 HXT SER 40 76.704 -1.112 5.914
3 HA SER 40 HB1 SER 40 78.279 1.934 4.010
4 HB3 SER 40 HG3 SER 40 78.031 1.055 6.403
5 HB2 SER 40 HG2 SER 40 78.400 -0.151 5.177
No H/Q in entry = 5
Start of MODEL 12
1 H VAL 41 H VAL 41 77.208 2.285 2.002
2 HB VAL 41 HG12 VAL 41 74.100 2.257 1.774
3 HG11 VAL 41 HG12 VAL 41 76.071 3.730 1.181
4 HG12 VAL 41 HG13 VAL 41 75.647 3.489 -0.516
5 HG13 VAL 41 HG21 VAL 41 74.516 4.294 0.572
6 HG21 VAL 41 HG22 VAL 41 74.148 1.137 -0.989
7 HG22 VAL 41 HG23 VAL 41 72.820 1.233 0.164
8 HG23 VAL 41 HXT VAL 41 73.283 2.655 -0.766
9 HA VAL 41 HB1 VAL 41 75.281 0.137 1.222
No H/Q in entry = 9
Start of MODEL 12
1 H ARG 42 H ARG 42 75.532 -0.587 -0.916
2 HB2 ARG 42 HG2 ARG 42 76.886 -2.259 -2.132
3 HB3 ARG 42 HG3 ARG 42 78.116 -1.752 -3.291
4 HG2 ARG 42 HD2 ARG 42 79.441 -0.781 -1.434
5 HG3 ARG 42 HD3 ARG 42 78.232 -1.358 -0.287
6 HD2 ARG 42 HD3 ARG 42 79.973 -3.025 -0.311
7 HE ARG 42 HH12 ARG 42 80.491 -2.116 -2.878
8 HH11 ARG 42 HH21 ARG 42 79.900 -5.279 -1.502
9 HH12 ARG 42 HH22 ARG 42 80.855 -6.085 -2.697
10 HD3 ARG 42 HXT ARG 42 78.643 -3.702 -1.270
11 HH21 ARG 42 HXT ARG 42 81.715 -3.201 -4.399
12 HH22 ARG 42 H1 ARG 42 81.873 -4.924 -4.319
13 HA ARG 42 HB1 ARG 42 77.771 0.624 -2.511
No H/Q in entry = 13
Start of MODEL 12
1 H SER 43 H SER 43 77.421 0.655 -4.815
2 HG SER 43 HXT SER 43 77.665 2.326 -6.442
3 HA SER 43 HB1 SER 43 74.583 0.222 -5.679
4 HB3 SER 43 HG3 SER 43 75.642 2.500 -5.835
5 HB2 SER 43 HG2 SER 43 75.119 1.873 -7.395
No H/Q in entry = 5
Start of MODEL 12
1 H PHE 44 H PHE 44 74.178 -1.239 -7.351
2 HD1 PHE 44 HD2 PHE 44 75.612 -5.692 -7.313
3 HD2 PHE 44 HE1 PHE 44 72.367 -2.972 -6.441
4 HE1 PHE 44 HE2 PHE 44 75.220 -6.856 -5.140
5 HE2 PHE 44 HZ PHE 44 71.975 -4.136 -4.268
6 HZ PHE 44 HXT PHE 44 73.401 -6.079 -3.618
7 HA PHE 44 HB1 PHE 44 76.322 -3.176 -7.897
8 HB3 PHE 44 HG3 PHE 44 74.370 -4.291 -9.116
9 HB2 PHE 44 HG2 PHE 44 73.388 -2.947 -8.566
No H/Q in entry = 9
Start of MODEL 12
1 H GLY 45 H GLY 45 74.364 -0.870 -9.813
2 HA2 GLY 45 HA3 GLY 45 75.633 -1.553 -12.329
3 HA3 GLY 45 HXT GLY 45 76.375 -0.143 -11.582
No H/Q in entry = 3
Start of MODEL 12
1 H THR 46 H THR 46 75.539 0.885 -13.604
2 HG1 THR 46 HG21 THR 46 75.748 2.886 -14.860
3 HG21 THR 46 HG22 THR 46 73.384 3.091 -11.889
4 HG22 THR 46 HG23 THR 46 74.309 4.528 -12.327
5 HG23 THR 46 HXT THR 46 72.642 4.351 -12.875
6 HA THR 46 HB1 THR 46 72.627 1.595 -13.415
7 HB THR 46 HG12 THR 46 73.655 3.646 -14.795
No H/Q in entry = 7
Start of MODEL 12
1 H GLU 47 H GLU 47 74.463 -0.451 -15.108
2 HB2 GLU 47 HG2 GLU 47 74.116 -2.337 -16.529
3 HB3 GLU 47 HG3 GLU 47 74.630 -2.145 -18.205
4 HA GLU 47 HB1 GLU 47 74.773 0.348 -17.751
5 HG3 GLU 47 HD3 GLU 47 76.195 -1.324 -15.742
6 HG2 GLU 47 HD2 GLU 47 76.693 -0.990 -17.399
No H/Q in entry = 6
Start of MODEL 12
1 H ASP 48 H ASP 48 71.752 -0.585 -16.200
2 HA ASP 48 HB1 ASP 48 70.251 -1.308 -18.543
3 HB3 ASP 48 HG3 ASP 48 68.308 -0.764 -17.029
4 HB2 ASP 48 HG2 ASP 48 69.462 -0.104 -15.870
No H/Q in entry = 4
Start of MODEL 12
1 H ARG 49 H ARG 49 70.104 1.781 -16.707
2 HB2 ARG 49 HG2 ARG 49 69.391 3.828 -16.190
3 HB3 ARG 49 HG3 ARG 49 68.920 5.055 -17.367
4 HG2 ARG 49 HD2 ARG 49 67.103 3.370 -18.107
5 HG3 ARG 49 HD3 ARG 49 67.442 2.545 -16.585
6 HD2 ARG 49 HD3 ARG 49 65.639 4.075 -16.126
7 HE ARG 49 HH12 ARG 49 67.068 5.760 -18.045
8 HH11 ARG 49 HH21 ARG 49 64.715 5.753 -15.455
9 HH12 ARG 49 HH22 ARG 49 63.951 7.200 -16.012
10 HD3 ARG 49 HXT ARG 49 67.095 4.827 -15.446
11 HH21 ARG 49 HXT ARG 49 66.049 7.628 -18.727
12 HH22 ARG 49 H1 ARG 49 64.696 8.252 -17.844
13 HA ARG 49 HB1 ARG 49 69.076 3.173 -19.122
No H/Q in entry = 13
Start of MODEL 12
1 H ASP 50 H ASP 50 72.093 2.322 -18.414
2 HA ASP 50 HB1 ASP 50 73.559 4.683 -17.784
3 HB3 ASP 50 HG3 ASP 50 74.357 2.338 -17.590
4 HB2 ASP 50 HG2 ASP 50 75.489 3.338 -18.494
No H/Q in entry = 4
Start of MODEL 12
1 H THR 51 H THR 51 75.268 5.612 -19.340
2 HG1 THR 51 HG21 THR 51 74.625 8.416 -20.126
3 HG21 THR 51 HG22 THR 51 75.081 8.445 -22.664
4 HG22 THR 51 HG23 THR 51 76.496 9.184 -21.916
5 HG23 THR 51 HXT THR 51 76.689 7.803 -22.996
6 HA THR 51 HB1 THR 51 74.007 6.639 -21.775
7 HB THR 51 HG12 THR 51 76.885 6.860 -20.844
No H/Q in entry = 7
Start of MODEL 12
1 H GLN 52 H GLN 52 75.143 6.436 -23.916
2 HB2 GLN 52 HG2 GLN 52 75.901 4.497 -26.831
3 HB3 GLN 52 HG3 GLN 52 74.435 5.049 -26.026
4 HE21 GLN 52 HE22 GLN 52 77.423 7.986 -27.880
5 HE22 GLN 52 HXT GLN 52 76.593 7.821 -29.351
6 HA GLN 52 HB1 GLN 52 75.730 3.633 -24.501
7 HG3 GLN 52 HD3 GLN 52 76.938 6.735 -26.008
8 HG2 GLN 52 HD2 GLN 52 75.269 7.242 -25.752
No H/Q in entry = 8
Start of MODEL 12
1 H PHE 53 H PHE 53 77.714 6.045 -23.247
2 HD1 PHE 53 HD2 PHE 53 78.899 6.891 -25.661
3 HD2 PHE 53 HE1 PHE 53 82.401 8.269 -23.533
4 HE1 PHE 53 HE2 PHE 53 79.589 8.219 -27.659
5 HE2 PHE 53 HZ PHE 53 83.092 9.595 -25.531
6 HZ PHE 53 HXT PHE 53 81.687 9.570 -27.593
7 HA PHE 53 HB1 PHE 53 80.179 4.911 -24.462
8 HB3 PHE 53 HG3 PHE 53 81.030 6.617 -22.571
9 HB2 PHE 53 HG2 PHE 53 79.394 7.222 -22.741
No H/Q in entry = 9
Start of MODEL 12
1 H GLN 54 H GLN 54 81.894 4.180 -22.851
2 HB2 GLN 54 HG2 GLN 54 83.585 3.330 -21.473
3 HB3 GLN 54 HG3 GLN 54 83.283 1.838 -20.583
4 HE21 GLN 54 HE22 GLN 54 83.980 -0.497 -23.765
5 HE22 GLN 54 HXT GLN 54 85.643 -0.160 -23.721
6 HA GLN 54 HB1 GLN 54 80.845 2.053 -21.196
7 HG3 GLN 54 HD3 GLN 54 82.652 2.272 -23.517
8 HG2 GLN 54 HD2 GLN 54 82.410 0.774 -22.617
No H/Q in entry = 8
Start of MODEL 12
1 H ILE 55 H ILE 55 80.499 1.994 -18.982
2 HB ILE 55 HG12 ILE 55 78.962 2.311 -17.002
3 HG12 ILE 55 HG13 ILE 55 78.477 3.558 -19.068
4 HG13 ILE 55 HG21 ILE 55 77.307 3.974 -17.820
5 HG21 ILE 55 HG22 ILE 55 79.462 4.972 -15.655
6 HG22 ILE 55 HG23 ILE 55 77.920 4.125 -15.531
7 HD11 ILE 55 HD12 ILE 55 78.708 6.002 -17.284
8 HD12 ILE 55 HD13 ILE 55 79.709 5.615 -18.683
9 HG23 ILE 55 HXT ILE 55 79.391 3.374 -14.912
10 HD13 ILE 55 HXT ILE 55 78.008 6.026 -18.902
11 HA ILE 55 HB1 ILE 55 81.011 4.519 -17.438
No H/Q in entry = 11
Start of MODEL 12
1 H ALA 56 H ALA 56 82.301 4.348 -15.627
2 HA ALA 56 HB1 ALA 56 83.489 1.688 -15.022
3 HB1 ALA 56 HB2 ALA 56 84.189 4.580 -14.556
4 HB2 ALA 56 HB3 ALA 56 85.016 3.310 -13.656
5 HB3 ALA 56 HXT ALA 56 85.111 3.349 -15.416
No H/Q in entry = 5
Start of MODEL 12
1 HB2 PRO 57 HG2 PRO 57 81.276 -0.742 -10.579
2 HB3 PRO 57 HG3 PRO 57 80.042 -0.376 -11.798
3 HG2 PRO 57 HD2 PRO 57 82.821 -1.354 -12.158
4 HG3 PRO 57 HD3 PRO 57 81.355 -1.752 -13.065
5 HD2 PRO 57 HD3 PRO 57 83.262 -0.057 -13.992
6 HD3 PRO 57 HXT PRO 57 81.545 0.076 -14.432
7 HA PRO 57 HB1 PRO 57 80.662 1.812 -11.441
No H/Q in entry = 7
Start of MODEL 12
1 H GLN 58 H GLN 58 81.131 2.162 -9.225
2 HB2 GLN 58 HG2 GLN 58 81.442 3.467 -7.352
3 HB3 GLN 58 HG3 GLN 58 83.039 3.811 -6.686
4 HE21 GLN 58 HE22 GLN 58 83.475 7.179 -8.826
5 HE22 GLN 58 HXT GLN 58 82.316 7.989 -7.886
6 HA GLN 58 HB1 GLN 58 84.022 2.439 -8.573
7 HG3 GLN 58 HD3 GLN 58 82.141 4.490 -9.503
8 HG2 GLN 58 HD2 GLN 58 83.715 4.865 -8.801
No H/Q in entry = 8
Start of MODEL 12
1 H SER 59 H SER 59 84.954 0.829 -7.398
2 HG SER 59 HXT SER 59 87.446 -0.833 -5.908
3 HA SER 59 HB1 SER 59 83.411 -1.232 -6.028
4 HB3 SER 59 HG3 SER 59 85.622 -1.517 -7.183
5 HB2 SER 59 HG2 SER 59 85.623 -2.118 -5.527
No H/Q in entry = 5
Start of MODEL 12
1 H GLN 60 H GLN 60 84.789 1.840 -5.083
2 HB2 GLN 60 HG2 GLN 60 84.378 3.848 -3.863
3 HB3 GLN 60 HG3 GLN 60 84.975 3.896 -2.204
4 HE21 GLN 60 HE22 GLN 60 88.381 1.630 -3.680
5 HE22 GLN 60 HXT GLN 60 88.928 1.740 -2.078
6 HA GLN 60 HB1 GLN 60 85.258 1.399 -2.301
7 HG3 GLN 60 HD3 GLN 60 86.725 4.372 -3.979
8 HG2 GLN 60 HD2 GLN 60 86.552 2.694 -4.493
No H/Q in entry = 8
Start of MODEL 12
1 H ILE 61 H ILE 61 83.911 2.009 -0.470
2 HB ILE 61 HG12 ILE 61 82.713 1.656 1.612
3 HG12 ILE 61 HG13 ILE 61 83.542 -0.155 0.148
4 HG13 ILE 61 HG21 ILE 61 82.781 -0.816 1.592
5 HG21 ILE 61 HG22 ILE 61 79.899 0.725 1.073
6 HG22 ILE 61 HG23 ILE 61 80.795 0.124 2.468
7 HD11 ILE 61 HD12 ILE 61 80.695 -1.199 0.304
8 HD12 ILE 61 HD13 ILE 61 81.486 -0.577 -1.144
9 HG23 ILE 61 HXT ILE 61 80.475 1.851 2.303
10 HD13 ILE 61 HXT ILE 61 82.061 -2.068 -0.397
11 HA ILE 61 HB1 ILE 61 81.030 1.400 -0.908
No H/Q in entry = 11
Start of MODEL 12
1 H TYR 62 H TYR 62 79.394 2.881 -0.305
2 HD1 TYR 62 HD2 TYR 62 79.213 3.718 -2.589
3 HD2 TYR 62 HE1 TYR 62 77.956 7.686 -1.420
4 HE1 TYR 62 HE2 TYR 62 79.707 4.552 -4.889
5 HE2 TYR 62 HH TYR 62 78.450 8.520 -3.720
6 HH TYR 62 HXT TYR 62 80.071 7.721 -5.663
7 HA TYR 62 HB1 TYR 62 80.228 5.688 0.190
8 HB3 TYR 62 HG3 TYR 62 77.611 5.857 0.041
9 HB2 TYR 62 HG2 TYR 62 77.718 4.207 -0.542
No H/Q in entry = 9
Start of MODEL 12
1 H ASP 63 H ASP 63 80.629 6.147 2.322
2 HA ASP 63 HB1 ASP 63 79.860 4.758 4.634
3 HB3 ASP 63 HG3 ASP 63 80.270 6.987 5.742
4 HB2 ASP 63 HG2 ASP 63 80.339 7.705 4.134
No H/Q in entry = 4
Start of MODEL 12
1 H TYR 64 H TYR 64 78.090 7.411 3.011
2 HD1 TYR 64 HD2 TYR 64 74.255 9.881 3.963
3 HD2 TYR 64 HE1 TYR 64 75.611 8.233 7.725
4 HE1 TYR 64 HE2 TYR 64 72.148 10.635 5.052
5 HE2 TYR 64 HH TYR 64 73.499 8.993 8.810
6 HH TYR 64 HXT TYR 64 71.742 10.941 8.269
7 HA TYR 64 HB1 TYR 64 75.589 6.673 4.418
8 HB3 TYR 64 HG3 TYR 64 76.854 9.412 4.666
9 HB2 TYR 64 HG2 TYR 64 77.023 8.164 5.884
No H/Q in entry = 9
Start of MODEL 12
1 H ILE 65 H ILE 65 73.964 6.916 2.932
2 HB ILE 65 HG12 ILE 65 73.065 6.426 0.543
3 HG12 ILE 65 HG13 ILE 65 75.438 7.893 -0.668
4 HG13 ILE 65 HG21 ILE 65 75.555 6.642 0.569
5 HG21 ILE 65 HG22 ILE 65 73.160 8.886 -1.238
6 HG22 ILE 65 HG23 ILE 65 72.824 7.258 -1.829
7 HD11 ILE 65 HD12 ILE 65 74.108 5.258 -1.185
8 HD12 ILE 65 HD13 ILE 65 74.837 6.386 -2.326
9 HG23 ILE 65 HXT ILE 65 71.719 8.030 -0.691
10 HD13 ILE 65 HXT ILE 65 75.861 5.352 -1.332
11 HA ILE 65 HB1 ILE 65 74.142 9.231 1.022
No H/Q in entry = 11
Start of MODEL 12
1 H LEU 66 H LEU 66 72.473 10.627 1.305
2 HD11 LEU 66 HD12 LEU 66 69.954 11.703 4.892
3 HD12 LEU 66 HD13 LEU 66 68.332 12.394 4.922
4 HD13 LEU 66 HD21 LEU 66 68.592 10.786 4.247
5 HD21 LEU 66 HD22 LEU 66 69.797 14.333 2.246
6 HD22 LEU 66 HD23 LEU 66 68.294 14.304 3.168
7 HG LEU 66 HXT LEU 66 68.449 12.108 2.319
8 HD23 LEU 66 HXT LEU 66 69.844 14.186 4.003
9 HA LEU 66 HB1 LEU 66 70.073 9.839 2.851
10 HB3 LEU 66 HG3 LEU 66 70.847 12.471 1.549
11 HB2 LEU 66 HG2 LEU 66 71.355 11.987 3.166
No H/Q in entry = 11
Start of MODEL 12
1 H PHE 67 H PHE 67 68.040 9.566 1.917
2 HD1 PHE 67 HD2 PHE 67 68.245 8.962 -2.749
3 HD2 PHE 67 HE1 PHE 67 69.139 5.857 0.122
4 HE1 PHE 67 HE2 PHE 67 70.043 8.100 -4.235
5 HE2 PHE 67 HZ PHE 67 70.955 5.005 -1.363
6 HZ PHE 67 HXT PHE 67 71.408 6.128 -3.546
7 HA PHE 67 HB1 PHE 67 67.792 9.967 -1.040
8 HB3 PHE 67 HG3 PHE 67 66.510 7.648 -0.729
9 HB2 PHE 67 HG2 PHE 67 67.575 7.515 0.656
No H/Q in entry = 9
Start of MODEL 12
1 H ARG 68 H ARG 68 65.900 11.007 -1.519
2 HB2 ARG 68 HG2 ARG 68 64.201 12.384 -2.255
3 HB3 ARG 68 HG3 ARG 68 62.796 12.745 -1.255
4 HG2 ARG 68 HD2 ARG 68 64.327 13.508 0.560
5 HG3 ARG 68 HD3 ARG 68 65.696 13.238 -0.518
6 HD2 ARG 68 HD3 ARG 68 64.629 14.837 -2.159
7 HE ARG 68 HH12 ARG 68 66.230 16.036 -0.887
8 HH11 ARG 68 HH21 ARG 68 63.453 15.276 1.103
9 HH12 ARG 68 HH22 ARG 68 64.017 16.232 2.427
10 HD3 ARG 68 HXT ARG 68 63.427 15.219 -0.912
11 HH21 ARG 68 HXT ARG 68 66.918 17.260 0.852
12 HH22 ARG 68 H1 ARG 68 65.956 17.343 2.290
13 HA ARG 68 HB1 ARG 68 63.726 11.177 0.488
No H/Q in entry = 13
Start of MODEL 12
1 H GLY 69 H GLY 69 61.607 10.354 0.095
2 HA2 GLY 69 HA3 GLY 69 59.987 8.896 -0.771
3 HA3 GLY 69 HXT GLY 69 61.332 7.925 -1.365
No H/Q in entry = 3
Start of MODEL 12
1 H SER 70 H SER 70 61.082 11.242 -2.428
2 HG SER 70 HXT SER 70 60.358 13.418 -2.606
3 HA SER 70 HB1 SER 70 59.305 10.880 -4.662
4 HB3 SER 70 HG3 SER 70 60.154 13.083 -5.312
5 HB2 SER 70 HG2 SER 70 61.539 12.888 -4.241
No H/Q in entry = 5
Start of MODEL 12
1 H ASP 71 H ASP 71 62.874 10.724 -4.402
2 HA ASP 71 HB1 ASP 71 63.169 10.374 -7.307
3 HB3 ASP 71 HG3 ASP 71 64.789 11.667 -5.985
4 HB2 ASP 71 HG2 ASP 71 65.580 10.284 -6.734
No H/Q in entry = 4
Start of MODEL 12
1 H ILE 72 H ILE 72 63.291 8.302 -4.421
2 HB ILE 72 HG12 ILE 72 64.039 6.583 -3.233
3 HG12 ILE 72 HG13 ILE 72 66.043 5.144 -4.949
4 HG13 ILE 72 HG21 ILE 72 65.825 6.881 -5.156
5 HG21 ILE 72 HG22 ILE 72 64.185 3.803 -4.452
6 HG22 ILE 72 HG23 ILE 72 64.620 4.217 -2.795
7 HD11 ILE 72 HD12 ILE 72 66.292 5.635 -2.449
8 HD12 ILE 72 HD13 ILE 72 67.620 6.160 -3.488
9 HG23 ILE 72 HXT ILE 72 62.946 4.364 -3.329
10 HD13 ILE 72 HXT ILE 72 66.436 7.331 -2.906
11 HA ILE 72 HB1 ILE 72 63.826 5.944 -6.168
No H/Q in entry = 11
Start of MODEL 12
1 H LYS 73 H LYS 73 62.330 4.266 -6.373
2 HB2 LYS 73 HG2 LYS 73 60.476 5.032 -8.156
3 HB3 LYS 73 HG3 LYS 73 60.581 3.285 -7.930
4 HG2 LYS 73 HG3 LYS 73 58.488 3.639 -9.001
5 HG3 LYS 73 HD2 LYS 73 58.091 3.383 -7.302
6 HD2 LYS 73 HD3 LYS 73 57.953 5.804 -6.941
7 HE2 LYS 73 HE3 LYS 73 56.073 6.243 -8.739
8 HE3 LYS 73 HZ1 LYS 73 56.335 4.533 -9.138
9 HZ1 LYS 73 HZ2 LYS 73 55.862 5.598 -6.403
10 HZ2 LYS 73 HZ3 LYS 73 54.698 4.804 -7.351
11 HD3 LYS 73 HXT LYS 73 58.416 6.096 -8.617
12 HZ3 LYS 73 HXT LYS 73 56.072 3.964 -6.818
13 HA LYS 73 HB1 LYS 73 59.543 5.185 -5.811
No H/Q in entry = 13
Start of MODEL 12
1 H ASP 74 H ASP 74 61.770 2.549 -5.144
2 HA ASP 74 HB1 ASP 74 59.539 1.110 -3.789
3 HB3 ASP 74 HG3 ASP 74 61.356 -0.228 -5.817
4 HB2 ASP 74 HG2 ASP 74 59.734 0.352 -6.198
No H/Q in entry = 4
Start of MODEL 12
1 H ILE 75 H ILE 75 60.205 0.351 -1.864
2 HB ILE 75 HG12 ILE 75 62.565 1.862 -0.570
3 HG12 ILE 75 HG13 ILE 75 62.832 -0.101 1.716
4 HG13 ILE 75 HG21 ILE 75 64.144 0.205 0.579
5 HG21 ILE 75 HG22 ILE 75 60.153 1.497 -0.152
6 HG22 ILE 75 HG23 ILE 75 60.554 0.380 1.153
7 HD11 ILE 75 HD12 ILE 75 63.690 2.724 1.135
8 HD12 ILE 75 HD13 ILE 75 62.899 2.079 2.572
9 HG23 ILE 75 HXT ILE 75 60.973 2.087 1.293
10 HD13 ILE 75 HXT ILE 75 64.606 1.743 2.281
11 HA ILE 75 HB1 ILE 75 63.086 -0.383 -1.496
No H/Q in entry = 11
Start of MODEL 12
1 H ARG 76 H ARG 76 63.375 -2.322 -0.384
2 HB2 ARG 76 HG2 ARG 76 62.502 -4.701 -1.299
3 HB3 ARG 76 HG3 ARG 76 61.455 -5.636 -0.232
4 HG2 ARG 76 HD2 ARG 76 59.632 -3.939 -0.692
5 HG3 ARG 76 HD3 ARG 76 60.680 -3.254 -1.933
6 HD2 ARG 76 HD3 ARG 76 59.220 -4.823 -3.049
7 HE ARG 76 HH12 ARG 76 59.570 -6.344 -0.576
8 HH11 ARG 76 HH21 ARG 76 58.679 -6.565 -3.953
9 HH12 ARG 76 HH22 ARG 76 57.723 -7.985 -3.709
10 HD3 ARG 76 HXT ARG 76 60.807 -5.608 -2.939
11 HH21 ARG 76 HXT ARG 76 58.325 -8.178 -0.310
12 HH22 ARG 76 H1 ARG 76 57.523 -8.890 -1.670
13 HA ARG 76 HB1 ARG 76 61.090 -3.513 1.110
No H/Q in entry = 13
Start of MODEL 12
1 H VAL 77 H VAL 77 61.802 -4.723 2.851
2 HB VAL 77 HG12 VAL 77 63.050 -4.114 5.085
3 HG11 VAL 77 HG12 VAL 77 61.970 -6.907 4.664
4 HG12 VAL 77 HG13 VAL 77 61.673 -6.007 6.149
5 HG13 VAL 77 HG21 VAL 77 61.096 -5.377 4.608
6 HG21 VAL 77 HG22 VAL 77 65.178 -5.173 5.790
7 HG22 VAL 77 HG23 VAL 77 63.874 -5.509 6.928
8 HG23 VAL 77 HXT VAL 77 64.385 -6.748 5.781
9 HA VAL 77 HB1 VAL 77 64.703 -4.825 3.382
No H/Q in entry = 9
Start of MODEL 12
1 H VAL 78 H VAL 78 65.903 -6.767 3.635
2 HB VAL 78 HG12 VAL 78 67.578 -8.427 3.115
3 HG11 VAL 78 HG12 VAL 78 66.401 -10.688 1.499
4 HG12 VAL 78 HG13 VAL 78 68.071 -10.174 1.255
5 HG13 VAL 78 HG21 VAL 78 67.554 -10.772 2.832
6 HG21 VAL 78 HG22 VAL 78 66.067 -8.068 0.517
7 HG22 VAL 78 HG23 VAL 78 66.925 -6.843 1.452
8 HG23 VAL 78 HXT VAL 78 67.830 -8.082 0.581
9 HA VAL 78 HB1 VAL 78 64.750 -9.134 2.241
No H/Q in entry = 9
Start of MODEL 12
1 H ASN 79 H ASN 79 64.271 -11.001 3.361
2 HD21 ASN 79 HD22 ASN 79 61.406 -13.459 6.556
3 HD22 ASN 79 HXT ASN 79 61.894 -13.639 8.173
4 HA ASN 79 HB1 ASN 79 65.188 -11.222 6.214
5 HB3 ASN 79 HG3 ASN 79 62.678 -12.375 4.968
6 HB2 ASN 79 HG2 ASN 79 62.726 -10.771 5.699
No H/Q in entry = 6
Start of MODEL 12
1 H ASN 80 H ASN 80 67.032 -12.527 5.715
2 HD21 ASN 80 HD22 ASN 80 70.625 -15.655 5.122
3 HD22 ASN 80 HXT ASN 80 70.623 -16.750 3.826
4 HA ASN 80 HB1 ASN 80 66.606 -15.043 4.181
5 HB3 ASN 80 HG3 ASN 80 69.159 -13.978 5.403
6 HB2 ASN 80 HG2 ASN 80 68.529 -13.353 3.879
No H/Q in entry = 6
Start of MODEL 12
1 H HIS 81 H HIS 81 68.254 -14.123 7.236
2 HD1 HIS 81 HD2 HIS 81 68.165 -18.936 9.135
3 HD2 HIS 81 HE1 HIS 81 71.092 -16.551 10.901
4 HE1 HIS 81 HE2 HIS 81 68.952 -20.179 11.197
5 HA HIS 81 HB1 HIS 81 67.147 -16.587 8.519
6 HB3 HIS 81 HG3 HIS 81 70.029 -15.655 8.532
7 HB2 HIS 81 HG2 HIS 81 69.412 -16.977 7.560
No H/Q in entry = 7
Start of MODEL 12
1 H THR 82 H THR 82 67.162 -16.450 10.881
2 HG1 THR 82 HG21 THR 82 65.760 -14.230 14.230
3 HG21 THR 82 HG22 THR 82 65.455 -16.436 13.312
4 HG22 THR 82 HG23 THR 82 63.952 -15.803 12.640
5 HG23 THR 82 HXT THR 82 65.170 -16.502 11.573
6 HA THR 82 HB1 THR 82 67.625 -13.703 11.990
7 HB THR 82 HG12 THR 82 65.240 -14.050 11.450
No H/Q in entry = 7
Start of MODEL 12
1 H LEU 83 H LEU 83 68.034 -13.700 14.316
2 HD11 LEU 83 HD12 LEU 83 72.862 -14.209 15.068
3 HD12 LEU 83 HD13 LEU 83 72.507 -12.507 15.366
4 HD13 LEU 83 HD21 LEU 83 72.232 -13.701 16.635
5 HD21 LEU 83 HD22 LEU 83 70.999 -14.269 12.996
6 HD22 LEU 83 HD23 LEU 83 69.701 -13.115 13.302
7 HG LEU 83 HXT LEU 83 70.099 -13.075 15.604
8 HD23 LEU 83 HXT LEU 83 71.382 -12.584 13.351
9 HA LEU 83 HB1 LEU 83 68.544 -16.333 15.600
10 HB3 LEU 83 HG3 LEU 83 70.611 -15.778 14.418
11 HB2 LEU 83 HG2 LEU 83 70.869 -15.587 16.150
No H/Q in entry = 11
Start of MODEL 12
1 HB2 PRO 84 HG2 PRO 84 68.755 -15.350 21.176
2 HB3 PRO 84 HG3 PRO 84 67.353 -16.151 20.441
3 HG2 PRO 84 HD2 PRO 84 70.247 -16.529 19.896
4 HG3 PRO 84 HD3 PRO 84 68.936 -17.717 19.920
5 HD2 PRO 84 HD3 PRO 84 70.012 -16.717 17.629
6 HD3 PRO 84 HXT PRO 84 68.336 -17.293 17.755
7 HA PRO 84 HB1 PRO 84 67.189 -14.209 19.212
No H/Q in entry = 7
Start of MODEL 13
1 H1 GLY -3 H1 GLY -3 73.085 -2.052 29.284
2 H2 GLY -3 H2 GLY -3 72.077 -1.241 30.385
3 H3 GLY -3 H3 GLY -3 72.130 -2.936 30.377
4 HA2 GLY -3 HA3 GLY -3 70.975 -1.145 28.318
5 HA3 GLY -3 HXT GLY -3 70.137 -2.357 29.290
No H/Q in entry = 5
Start of MODEL 13
1 H ALA -2 H ALA -2 69.428 -3.565 27.475
2 HA ALA -2 HB1 ALA -2 71.511 -4.706 25.667
3 HB1 ALA -2 HB2 ALA -2 70.519 -6.975 26.173
4 HB2 ALA -2 HB3 ALA -2 71.345 -6.237 27.545
5 HB3 ALA -2 HXT ALA -2 69.583 -6.215 27.460
No H/Q in entry = 5
Start of MODEL 13
1 H MET -1 H MET -1 70.607 -5.521 23.678
2 HB2 MET -1 HG2 MET -1 70.212 -4.424 21.484
3 HB3 MET -1 HG3 MET -1 68.571 -4.147 20.899
4 HE1 MET -1 HE2 MET -1 67.276 -1.468 20.915
5 HE2 MET -1 HE3 MET -1 68.053 -0.733 19.515
6 HE3 MET -1 HXT MET -1 67.992 -2.493 19.675
7 HA MET -1 HB1 MET -1 67.732 -4.791 23.194
8 HG3 MET -1 HD3 MET -1 69.956 -2.697 23.173
9 HG2 MET -1 HD2 MET -1 68.250 -2.503 22.771
No H/Q in entry = 9
Start of MODEL 13
1 H ALA 0 H ALA 0 66.604 -6.180 21.734
2 HA ALA 0 HB1 ALA 0 67.996 -8.510 20.557
3 HB1 ALA 0 HB2 ALA 0 66.928 -10.117 21.911
4 HB2 ALA 0 HB3 ALA 0 67.337 -8.846 23.065
5 HB3 ALA 0 HXT ALA 0 65.692 -8.977 22.443
No H/Q in entry = 5
Start of MODEL 13
1 H MET 1 H MET 1 64.803 -7.093 21.348
2 HB2 MET 1 HG2 MET 1 62.448 -7.946 21.175
3 HB3 MET 1 HG3 MET 1 61.667 -8.083 19.599
4 HE1 MET 1 HE2 MET 1 60.941 -9.690 18.559
5 HE2 MET 1 HE3 MET 1 60.721 -11.436 18.492
6 HE3 MET 1 HXT MET 1 59.587 -10.448 19.407
7 HA MET 1 HB1 MET 1 63.927 -7.689 18.537
8 HG3 MET 1 HD3 MET 1 63.872 -9.853 20.691
9 HG2 MET 1 HD2 MET 1 63.277 -9.927 19.032
No H/Q in entry = 9
Start of MODEL 13
1 H SER 2 H SER 2 62.041 -6.239 17.901
2 HG SER 2 HXT SER 2 63.592 -3.911 15.714
3 HA SER 2 HB1 SER 2 62.402 -3.494 19.061
4 HB3 SER 2 HG3 SER 2 61.756 -2.756 16.783
5 HB2 SER 2 HG2 SER 2 61.554 -4.439 16.303
No H/Q in entry = 5
Start of MODEL 13
1 H GLY 3 H GLY 3 60.510 -2.259 19.471
2 HA2 GLY 3 HA3 GLY 3 58.373 -2.599 20.702
3 HA3 GLY 3 HXT GLY 3 57.961 -3.833 19.510
No H/Q in entry = 3
Start of MODEL 13
1 H GLY 4 H GLY 4 59.243 -0.508 19.160
2 HA2 GLY 4 HA3 GLY 4 57.611 1.312 18.551
3 HA3 GLY 4 HXT GLY 4 56.833 0.133 17.494
No H/Q in entry = 3
Start of MODEL 13
1 H LEU 5 H LEU 5 60.305 0.802 17.973
2 HD11 LEU 5 HD12 LEU 5 63.952 3.337 18.044
3 HD12 LEU 5 HD13 LEU 5 62.984 4.710 18.579
4 HD13 LEU 5 HD21 LEU 5 62.757 3.128 19.324
5 HD21 LEU 5 HD22 LEU 5 62.882 4.233 15.676
6 HD22 LEU 5 HD23 LEU 5 61.122 4.192 15.571
7 HG LEU 5 HXT LEU 5 60.942 3.312 17.818
8 HD23 LEU 5 HXT LEU 5 61.915 5.335 16.656
9 HA LEU 5 HB1 LEU 5 60.553 2.229 15.426
10 HB3 LEU 5 HG3 LEU 5 63.042 1.972 16.106
11 HB2 LEU 5 HG2 LEU 5 62.422 1.229 17.580
No H/Q in entry = 11
Start of MODEL 13
1 HB2 PRO 6 HG2 PRO 6 63.183 -0.211 11.078
2 HB3 PRO 6 HG3 PRO 6 61.442 0.117 10.996
3 HG2 PRO 6 HD2 PRO 6 63.631 1.795 12.093
4 HG3 PRO 6 HD3 PRO 6 62.173 2.273 11.212
5 HD2 PRO 6 HD3 PRO 6 62.445 2.526 13.908
6 HD3 PRO 6 HXT PRO 6 60.879 2.290 13.099
7 HA PRO 6 HB1 PRO 6 61.336 -1.268 12.835
No H/Q in entry = 7
Start of MODEL 13
1 H GLU 7 H GLU 7 63.059 -2.830 12.294
2 HB2 GLU 7 HG2 GLU 7 64.685 -4.365 11.580
3 HB3 GLU 7 HG3 GLU 7 65.789 -5.027 12.787
4 HA GLU 7 HB1 GLU 7 64.989 -3.241 14.382
5 HG3 GLU 7 HD3 GLU 7 62.779 -4.785 13.068
6 HG2 GLU 7 HD2 GLU 7 63.867 -5.385 14.321
No H/Q in entry = 6
Start of MODEL 13
1 H LEU 8 H LEU 8 66.653 -1.773 14.645
2 HD11 LEU 8 HD12 LEU 8 68.255 0.264 17.109
3 HD12 LEU 8 HD13 LEU 8 68.903 1.767 16.451
4 HD13 LEU 8 HD21 LEU 8 67.217 1.682 16.960
5 HD21 LEU 8 HD22 LEU 8 68.589 2.215 13.933
6 HD22 LEU 8 HD23 LEU 8 67.050 1.659 13.273
7 HG LEU 8 HXT LEU 8 66.653 0.225 15.135
8 HD23 LEU 8 HXT LEU 8 67.073 2.721 14.681
9 HA LEU 8 HB1 LEU 8 67.859 -0.193 12.576
10 HB3 LEU 8 HG3 LEU 8 69.580 0.199 14.358
11 HB2 LEU 8 HG2 LEU 8 68.828 -1.080 15.311
No H/Q in entry = 11
Start of MODEL 13
1 H GLY 9 H GLY 9 69.734 -0.540 11.347
2 HA2 GLY 9 HA3 GLY 9 71.561 -2.750 11.871
3 HA3 GLY 9 HXT GLY 9 71.652 -1.608 10.550
No H/Q in entry = 3
Start of MODEL 13
1 H SER 10 H SER 10 68.545 -2.799 10.420
2 HG SER 10 HXT SER 10 66.002 -5.281 10.267
3 HA SER 10 HB1 SER 10 68.834 -5.385 9.232
4 HB3 SER 10 HG3 SER 10 66.571 -4.840 8.303
5 HB2 SER 10 HG2 SER 10 66.793 -3.175 8.833
No H/Q in entry = 5
Start of MODEL 13
1 H LYS 11 H LYS 11 69.289 -6.009 7.116
2 HB2 LYS 11 HG2 LYS 11 71.042 -5.995 3.985
3 HB3 LYS 11 HG3 LYS 11 71.393 -6.291 5.683
4 HG2 LYS 11 HG3 LYS 11 69.109 -7.425 5.831
5 HG3 LYS 11 HD2 LYS 11 69.050 -7.333 4.073
6 HD2 LYS 11 HD3 LYS 11 71.309 -8.503 4.053
7 HE2 LYS 11 HE3 LYS 11 69.067 -9.635 3.651
8 HE3 LYS 11 HZ1 LYS 11 70.310 -10.715 4.310
9 HZ1 LYS 11 HZ2 LYS 11 69.491 -10.174 6.551
10 HZ2 LYS 11 HZ3 LYS 11 68.233 -9.262 5.864
11 HD3 LYS 11 HXT LYS 11 71.073 -8.803 5.774
12 HZ3 LYS 11 HXT LYS 11 68.305 -10.937 5.604
13 HA LYS 11 HB1 LYS 11 70.451 -4.015 5.300
No H/Q in entry = 13
Start of MODEL 13
1 H ILE 12 H ILE 12 69.288 -2.912 3.797
2 HB ILE 12 HG12 ILE 12 67.498 -1.181 3.356
3 HG12 ILE 12 HG13 ILE 12 65.454 -2.889 4.814
4 HG13 ILE 12 HG21 ILE 12 67.096 -2.618 5.398
5 HG21 ILE 12 HG22 ILE 12 65.880 -1.454 1.482
6 HG22 ILE 12 HG23 ILE 12 64.805 -2.343 2.561
7 HD11 ILE 12 HD12 ILE 12 66.644 -0.146 5.327
8 HD12 ILE 12 HD13 ILE 12 64.965 -0.513 4.930
9 HG23 ILE 12 HXT ILE 12 65.151 -0.642 2.867
10 HD13 ILE 12 HXT ILE 12 65.634 -1.015 6.483
11 HA ILE 12 HB1 ILE 12 66.672 -4.068 2.877
No H/Q in entry = 11
Start of MODEL 13
1 H SER 13 H SER 13 66.246 -3.973 0.679
2 HG SER 13 HXT SER 13 66.638 -4.225 -3.568
3 HA SER 13 HB1 SER 13 68.439 -3.055 -1.125
4 HB3 SER 13 HG3 SER 13 65.976 -4.768 -1.613
5 HB2 SER 13 HG2 SER 13 67.576 -5.400 -1.237
No H/Q in entry = 5
Start of MODEL 13
1 H LEU 14 H LEU 14 68.016 -1.425 -2.645
2 HD11 LEU 14 HD12 LEU 14 65.456 1.667 -0.010
3 HD12 LEU 14 HD13 LEU 14 64.647 3.075 -0.695
4 HD13 LEU 14 HD21 LEU 14 64.406 1.483 -1.413
5 HD21 LEU 14 HD22 LEU 14 67.821 3.129 -0.523
6 HD22 LEU 14 HD23 LEU 14 67.756 3.937 -2.089
7 HG LEU 14 HXT LEU 14 65.960 2.623 -2.836
8 HD23 LEU 14 HXT LEU 14 66.521 4.268 -0.875
9 HA LEU 14 HB1 LEU 14 65.380 -0.019 -2.397
10 HB3 LEU 14 HG3 LEU 14 68.090 1.321 -2.429
11 HB2 LEU 14 HG2 LEU 14 67.375 0.746 -0.924
No H/Q in entry = 11
Start of MODEL 13
1 H ILE 15 H ILE 15 64.560 0.435 -4.415
2 HB ILE 15 HG12 ILE 15 63.402 0.022 -6.530
3 HG12 ILE 15 HG13 ILE 15 65.491 -2.091 -7.137
4 HG13 ILE 15 HG21 ILE 15 64.874 -1.799 -5.511
5 HG21 ILE 15 HG22 ILE 15 64.240 0.894 -8.741
6 HG22 ILE 15 HG23 ILE 15 65.228 -0.560 -8.882
7 HD11 ILE 15 HD12 ILE 15 62.559 -2.191 -6.358
8 HD12 ILE 15 HD13 ILE 15 63.237 -2.593 -7.936
9 HG23 ILE 15 HXT ILE 15 63.470 -0.688 -8.851
10 HD13 ILE 15 HXT ILE 15 63.597 -3.606 -6.538
11 HA ILE 15 HB1 ILE 15 66.422 0.348 -6.763
No H/Q in entry = 11
Start of MODEL 13
1 H SER 16 H SER 16 66.934 2.336 -7.565
2 HG SER 16 HXT SER 16 68.205 5.395 -5.904
3 HA SER 16 HB1 SER 16 65.297 4.711 -6.886
4 HB3 SER 16 HG3 SER 16 67.283 5.899 -7.718
5 HB2 SER 16 HG2 SER 16 67.955 4.379 -8.303
No H/Q in entry = 5
Start of MODEL 13
1 H LYS 17 H LYS 17 64.752 6.281 -8.589
2 HB2 LYS 17 HG2 LYS 17 63.150 7.522 -9.533
3 HB3 LYS 17 HG3 LYS 17 64.457 7.921 -10.646
4 HG2 LYS 17 HG3 LYS 17 62.460 8.681 -11.707
5 HG3 LYS 17 HD2 LYS 17 62.887 7.179 -12.527
6 HD2 LYS 17 HD3 LYS 17 61.275 5.933 -11.206
7 HE2 LYS 17 HE3 LYS 17 59.154 7.316 -11.810
8 HE3 LYS 17 HZ1 LYS 17 60.298 8.480 -12.505
9 HZ1 LYS 17 HZ2 LYS 17 60.222 5.570 -13.111
10 HZ2 LYS 17 HZ3 LYS 17 59.651 6.799 -14.136
11 HD3 LYS 17 HXT LYS 17 60.924 7.357 -10.225
12 HZ3 LYS 17 HXT LYS 17 61.307 6.694 -13.773
13 HA LYS 17 HB1 LYS 17 63.090 5.223 -10.591
No H/Q in entry = 13
Start of MODEL 13
1 H ALA 18 H ALA 18 66.541 5.544 -10.766
2 HA ALA 18 HB1 ALA 18 66.627 5.721 -13.711
3 HB1 ALA 18 HB2 ALA 18 69.159 5.474 -13.060
4 HB2 ALA 18 HB3 ALA 18 68.315 6.959 -12.620
5 HB3 ALA 18 HXT ALA 18 68.578 5.701 -11.408
No H/Q in entry = 5
Start of MODEL 13
1 H ASP 19 H ASP 19 65.528 3.286 -12.137
2 HA ASP 19 HB1 ASP 19 65.686 0.942 -12.119
3 HB3 ASP 19 HG3 ASP 19 66.658 0.033 -14.287
4 HB2 ASP 19 HG2 ASP 19 67.064 1.691 -14.719
No H/Q in entry = 4
Start of MODEL 13
1 H ILE 20 H ILE 20 67.742 2.494 -10.737
2 HB ILE 20 HG12 ILE 20 69.679 3.286 -9.401
3 HG12 ILE 20 HG13 ILE 20 71.083 3.022 -12.080
4 HG13 ILE 20 HG21 ILE 20 69.451 3.644 -11.875
5 HG21 ILE 20 HG22 ILE 20 71.562 1.853 -8.634
6 HG22 ILE 20 HG23 ILE 20 72.260 1.928 -10.252
7 HD11 ILE 20 HD12 ILE 20 70.393 5.381 -10.302
8 HD12 ILE 20 HD13 ILE 20 72.004 4.837 -10.769
9 HG23 ILE 20 HXT ILE 20 72.134 3.392 -9.277
10 HD13 ILE 20 HXT ILE 20 70.930 5.546 -11.974
11 HA ILE 20 HB1 ILE 20 70.181 0.787 -11.062
No H/Q in entry = 11
Start of MODEL 13
1 H ARG 21 H ARG 21 70.817 -0.592 -9.375
2 HB2 ARG 21 HG2 ARG 21 69.401 -2.789 -8.740
3 HB3 ARG 21 HG3 ARG 21 71.051 -2.767 -8.118
4 HG2 ARG 21 HD2 ARG 21 70.165 -3.174 -5.828
5 HG3 ARG 21 HD3 ARG 21 68.539 -3.285 -6.502
6 HD2 ARG 21 HD3 ARG 21 69.337 -5.167 -7.973
7 HE ARG 21 HH12 ARG 21 69.824 -6.076 -5.234
8 HH11 ARG 21 HH21 ARG 21 67.424 -4.788 -7.431
9 HH12 ARG 21 HH22 ARG 21 66.105 -5.465 -6.544
10 HD3 ARG 21 HXT ARG 21 70.886 -5.116 -7.111
11 HH21 ARG 21 HXT ARG 21 68.086 -6.931 -4.118
12 HH22 ARG 21 H1 ARG 21 66.473 -6.664 -4.688
13 HA ARG 21 HB1 ARG 21 68.861 -0.906 -7.132
No H/Q in entry = 13
Start of MODEL 13
1 H TYR 22 H TYR 22 69.505 0.043 -5.272
2 HD1 TYR 22 HD2 TYR 22 73.493 2.914 -4.187
3 HD2 TYR 22 HE1 TYR 22 69.564 2.582 -5.967
4 HE1 TYR 22 HE2 TYR 22 74.144 4.570 -5.934
5 HE2 TYR 22 HH TYR 22 70.218 4.243 -7.724
6 HH TYR 22 HXT TYR 22 72.895 6.226 -7.468
7 HA TYR 22 HB1 TYR 22 72.413 0.064 -4.543
8 HB3 TYR 22 HG3 TYR 22 71.622 1.883 -2.978
9 HB2 TYR 22 HG2 TYR 22 70.035 1.741 -3.703
No H/Q in entry = 9
Start of MODEL 13
1 H GLU 23 H GLU 23 72.949 -0.779 -2.460
2 HB2 GLU 23 HG2 GLU 23 71.644 -3.568 -2.302
3 HB3 GLU 23 HG3 GLU 23 73.204 -3.348 -1.509
4 HA GLU 23 HB1 GLU 23 70.699 -1.802 -0.766
5 HG3 GLU 23 HD3 GLU 23 70.622 -4.240 -0.191
6 HG2 GLU 23 HD2 GLU 23 72.117 -3.895 0.678
No H/Q in entry = 6
Start of MODEL 13
1 H GLY 24 H GLY 24 71.145 -1.596 1.458
2 HA2 GLY 24 HA3 GLY 24 72.927 0.384 2.314
3 HA3 GLY 24 HXT GLY 24 73.824 -1.125 2.478
No H/Q in entry = 3
Start of MODEL 13
1 H ARG 25 H ARG 25 73.679 -0.226 4.809
2 HB2 ARG 25 HG2 ARG 25 73.964 -0.043 7.082
3 HB3 ARG 25 HG3 ARG 25 72.966 -0.957 8.212
4 HG2 ARG 25 HD2 ARG 25 74.361 -2.234 5.847
5 HG3 ARG 25 HD3 ARG 25 75.090 -2.133 7.451
6 HD2 ARG 25 HD3 ARG 25 73.093 -3.328 8.389
7 HE ARG 25 HH12 ARG 25 75.090 -4.461 6.571
8 HH11 ARG 25 HH21 ARG 25 72.388 -5.208 8.667
9 HH12 ARG 25 HH22 ARG 25 72.916 -6.833 8.930
10 HD3 ARG 25 HXT ARG 25 72.492 -3.538 6.732
11 HH21 ARG 25 HXT ARG 25 75.730 -6.569 6.938
12 HH22 ARG 25 H1 ARG 25 74.785 -7.597 7.963
13 HA ARG 25 HB1 ARG 25 71.605 -1.755 6.244
No H/Q in entry = 13
Start of MODEL 13
1 H LEU 26 H LEU 26 69.771 -0.854 7.134
2 HD11 LEU 26 HD12 LEU 26 67.010 2.077 6.182
3 HD12 LEU 26 HD13 LEU 26 65.441 1.376 6.575
4 HD13 LEU 26 HD21 LEU 26 65.816 3.027 7.064
5 HD21 LEU 26 HD22 LEU 26 65.478 -0.125 8.693
6 HD22 LEU 26 HD23 LEU 26 65.953 0.828 10.100
7 HG LEU 26 HXT LEU 26 67.210 2.342 8.801
8 HD23 LEU 26 HXT LEU 26 64.764 1.465 8.965
9 HA LEU 26 HB1 LEU 26 68.956 1.866 6.750
10 HB3 LEU 26 HG3 LEU 26 68.052 -0.099 8.866
11 HB2 LEU 26 HG2 LEU 26 67.556 -0.180 7.178
No H/Q in entry = 11
Start of MODEL 13
1 H TYR 27 H TYR 27 69.853 3.635 7.802
2 HD1 TYR 27 HD2 TYR 27 72.974 3.901 11.338
3 HD2 TYR 27 HE1 TYR 27 71.960 7.622 9.383
4 HE1 TYR 27 HE2 TYR 27 74.285 5.158 13.051
5 HE2 TYR 27 HH TYR 27 73.269 8.879 11.097
6 HH TYR 27 HXT TYR 27 74.016 8.467 13.517
7 HA TYR 27 HB1 TYR 27 71.057 3.286 10.507
8 HB3 TYR 27 HG3 TYR 27 71.056 5.626 8.584
9 HB2 TYR 27 HG2 TYR 27 72.268 4.357 8.594
No H/Q in entry = 9
Start of MODEL 13
1 H THR 28 H THR 28 68.780 5.468 8.793
2 HG1 THR 28 HG21 THR 28 68.641 8.944 9.454
3 HG21 THR 28 HG22 THR 28 68.562 6.772 12.722
4 HG22 THR 28 HG23 THR 28 70.000 6.944 11.716
5 HG23 THR 28 HXT THR 28 69.266 8.367 12.458
6 HA THR 28 HB1 THR 28 67.164 5.755 11.261
7 HB THR 28 HG12 THR 28 67.407 8.306 11.001
No H/Q in entry = 7
Start of MODEL 13
1 H VAL 29 H VAL 29 65.072 6.710 10.817
2 HB VAL 29 HG12 VAL 29 64.111 4.778 8.469
3 HG11 VAL 29 HG12 VAL 29 63.588 5.271 10.945
4 HG12 VAL 29 HG13 VAL 29 61.937 5.583 10.407
5 HG13 VAL 29 HG21 VAL 29 62.656 3.991 10.169
6 HG21 VAL 29 HG22 VAL 29 61.747 6.530 7.871
7 HG22 VAL 29 HG23 VAL 29 62.599 5.402 6.816
8 HG23 VAL 29 HXT VAL 29 61.498 4.793 8.051
9 HA VAL 29 HB1 VAL 29 64.406 7.196 7.953
No H/Q in entry = 9
Start of MODEL 13
1 H ASP 30 H ASP 30 62.671 8.649 7.684
2 HA ASP 30 HB1 ASP 30 61.306 9.617 10.174
3 HB3 ASP 30 HG3 ASP 30 61.886 11.428 7.854
4 HB2 ASP 30 HG2 ASP 30 63.221 10.993 8.922
No H/Q in entry = 4
Start of MODEL 13
1 HB2 PRO 31 HG2 PRO 31 56.346 8.478 9.595
2 HB3 PRO 31 HG3 PRO 31 56.621 6.992 8.667
3 HG2 PRO 31 HD2 PRO 31 57.550 7.315 11.158
4 HG3 PRO 31 HD3 PRO 31 58.412 6.367 9.937
5 HD2 PRO 31 HD3 PRO 31 59.007 9.087 10.979
6 HD3 PRO 31 HXT PRO 31 60.117 7.808 10.439
7 HA PRO 31 HB1 PRO 31 58.144 8.002 7.283
No H/Q in entry = 7
Start of MODEL 13
1 H GLN 32 H GLN 32 57.807 10.858 9.392
2 HB2 GLN 32 HG2 GLN 32 55.866 12.056 10.416
3 HB3 GLN 32 HG3 GLN 32 57.151 13.200 10.029
4 HE21 GLN 32 HE22 GLN 32 53.511 14.031 7.597
5 HE22 GLN 32 HXT GLN 32 52.220 13.117 8.212
6 HA GLN 32 HB1 GLN 32 55.446 11.822 7.926
7 HG3 GLN 32 HD3 GLN 32 55.403 14.514 8.711
8 HG2 GLN 32 HD2 GLN 32 55.210 14.525 10.464
No H/Q in entry = 8
Start of MODEL 13
1 H GLU 33 H GLU 33 58.911 12.473 7.961
2 HB2 GLU 33 HG2 GLU 33 60.947 13.171 7.284
3 HB3 GLU 33 HG3 GLU 33 61.185 14.497 6.145
4 HA GLU 33 HB1 GLU 33 58.649 14.725 6.071
5 HG3 GLU 33 HD3 GLU 33 59.722 14.683 8.796
6 HG2 GLU 33 HD2 GLU 33 59.919 16.004 7.646
No H/Q in entry = 6
Start of MODEL 13
1 H CYS 34 H CYS 34 58.221 11.454 5.644
2 HG CYS 34 HXT CYS 34 55.909 12.125 2.917
3 HA CYS 34 HB1 CYS 34 58.524 9.940 3.862
4 HB3 CYS 34 HG3 CYS 34 58.426 11.235 1.613
5 HB2 CYS 34 HG2 CYS 34 58.296 12.679 2.618
No H/Q in entry = 5
Start of MODEL 13
1 H THR 35 H THR 35 61.004 10.611 5.169
2 HG1 THR 35 HG21 THR 35 63.156 13.231 5.891
3 HG21 THR 35 HG22 THR 35 62.021 12.703 2.673
4 HG22 THR 35 HG23 THR 35 62.289 13.949 3.892
5 HG23 THR 35 HXT THR 35 63.578 13.526 2.767
6 HA THR 35 HB1 THR 35 62.911 10.550 2.853
7 HB THR 35 HG12 THR 35 64.340 12.087 4.322
No H/Q in entry = 7
Start of MODEL 13
1 H ILE 36 H ILE 36 64.860 9.386 3.294
2 HB ILE 36 HG12 ILE 36 65.430 5.899 4.818
3 HG12 ILE 36 HG13 ILE 36 64.383 7.288 2.334
4 HG13 ILE 36 HG21 ILE 36 66.099 6.978 2.599
5 HG21 ILE 36 HG22 ILE 36 63.143 6.941 5.599
6 HG22 ILE 36 HG23 ILE 36 62.794 6.980 3.870
7 HD11 ILE 36 HD12 ILE 36 63.982 4.814 2.695
8 HD12 ILE 36 HD13 ILE 36 64.914 5.199 1.249
9 HG23 ILE 36 HXT ILE 36 63.151 5.446 4.664
10 HD13 ILE 36 HXT ILE 36 65.733 4.597 2.689
11 HA ILE 36 HB1 ILE 36 65.117 8.095 5.969
No H/Q in entry = 11
Start of MODEL 13
1 H ALA 37 H ALA 37 67.303 7.184 6.296
2 HA ALA 37 HB1 ALA 37 69.357 8.051 4.302
3 HB1 ALA 37 HB2 ALA 37 68.892 9.511 6.485
4 HB2 ALA 37 HB3 ALA 37 70.540 9.238 5.917
5 HB3 ALA 37 HXT ALA 37 69.892 8.273 7.246
No H/Q in entry = 5
Start of MODEL 13
1 H LEU 38 H LEU 38 70.702 6.383 3.828
2 HD11 LEU 38 HD12 LEU 38 69.452 3.778 1.141
3 HD12 LEU 38 HD13 LEU 38 69.485 2.126 1.758
4 HD13 LEU 38 HD21 LEU 38 67.968 3.025 1.723
5 HD21 LEU 38 HD22 LEU 38 69.470 1.859 4.483
6 HD22 LEU 38 HD23 LEU 38 68.570 3.175 5.239
7 HG LEU 38 HXT LEU 38 68.846 4.597 3.400
8 HD23 LEU 38 HXT LEU 38 67.832 2.231 3.946
9 HA LEU 38 HB1 LEU 38 70.669 3.975 5.614
10 HB3 LEU 38 HG3 LEU 38 71.283 2.796 3.496
11 HB2 LEU 38 HG2 LEU 38 71.246 4.343 2.653
No H/Q in entry = 11
Start of MODEL 13
1 H SER 39 H SER 39 72.701 2.981 6.110
2 HG SER 39 HXT SER 39 75.067 2.044 8.125
3 HA SER 39 HB1 SER 39 75.102 4.710 5.570
4 HB3 SER 39 HG3 SER 39 74.215 4.710 7.909
5 HB2 SER 39 HG2 SER 39 75.834 4.023 7.817
No H/Q in entry = 5
Start of MODEL 13
1 H SER 40 H SER 40 77.121 3.512 5.301
2 HG SER 40 HXT SER 40 76.390 -0.187 6.789
3 HA SER 40 HB1 SER 40 78.275 1.927 3.985
4 HB3 SER 40 HG3 SER 40 78.051 1.018 6.367
5 HB2 SER 40 HG2 SER 40 78.394 -0.178 5.122
No H/Q in entry = 5
Start of MODEL 13
1 H VAL 41 H VAL 41 77.091 2.385 2.024
2 HB VAL 41 HG12 VAL 41 73.999 2.205 1.866
3 HG11 VAL 41 HG12 VAL 41 75.851 3.804 1.271
4 HG12 VAL 41 HG13 VAL 41 75.424 3.572 -0.427
5 HG13 VAL 41 HG21 VAL 41 74.259 4.290 0.686
6 HG21 VAL 41 HG22 VAL 41 73.998 1.141 -0.912
7 HG22 VAL 41 HG23 VAL 41 72.700 1.190 0.278
8 HG23 VAL 41 HXT VAL 41 73.095 2.633 -0.652
9 HA VAL 41 HB1 VAL 41 75.270 0.165 1.189
No H/Q in entry = 9
Start of MODEL 13
1 H ARG 42 H ARG 42 75.437 -0.368 -1.046
2 HB2 ARG 42 HG2 ARG 42 78.416 -1.137 -3.302
3 HB3 ARG 42 HG3 ARG 42 78.513 -0.903 -1.559
4 HG2 ARG 42 HD2 ARG 42 76.336 -2.168 -1.349
5 HG3 ARG 42 HD3 ARG 42 76.452 -2.537 -3.070
6 HD2 ARG 42 HD3 ARG 42 78.689 -3.593 -2.649
7 HE ARG 42 HH12 ARG 42 76.173 -4.658 -2.181
8 HH11 ARG 42 HH21 ARG 42 79.319 -5.150 -0.728
9 HH12 ARG 42 HH22 ARG 42 78.967 -6.784 -0.286
10 HD3 ARG 42 HXT ARG 42 78.441 -3.329 -0.913
11 HH21 ARG 42 HXT ARG 42 75.766 -6.774 -1.592
12 HH22 ARG 42 H1 ARG 42 76.980 -7.696 -0.769
13 HA ARG 42 HB1 ARG 42 77.515 1.081 -2.636
No H/Q in entry = 13
Start of MODEL 13
1 H SER 43 H SER 43 77.187 0.916 -4.945
2 HG SER 43 HXT SER 43 77.113 2.688 -6.712
3 HA SER 43 HB1 SER 43 74.409 0.102 -5.722
4 HB3 SER 43 HG3 SER 43 75.176 2.496 -5.930
5 HB2 SER 43 HG2 SER 43 74.666 1.788 -7.459
No H/Q in entry = 5
Start of MODEL 13
1 H PHE 44 H PHE 44 74.140 -1.349 -7.448
2 HD1 PHE 44 HD2 PHE 44 75.871 -5.688 -7.323
3 HD2 PHE 44 HE1 PHE 44 72.492 -3.092 -6.592
4 HE1 PHE 44 HE2 PHE 44 75.489 -6.804 -5.124
5 HE2 PHE 44 HZ PHE 44 72.111 -4.208 -4.391
6 HZ PHE 44 HXT PHE 44 73.609 -6.064 -3.658
7 HA PHE 44 HB1 PHE 44 76.460 -3.080 -7.972
8 HB3 PHE 44 HG3 PHE 44 74.655 -4.395 -9.179
9 HB2 PHE 44 HG2 PHE 44 73.533 -3.127 -8.723
No H/Q in entry = 9
Start of MODEL 13
1 H GLY 45 H GLY 45 74.332 -0.943 -9.899
2 HA2 GLY 45 HA3 GLY 45 75.629 -1.558 -12.415
3 HA3 GLY 45 HXT GLY 45 76.264 -0.081 -11.697
No H/Q in entry = 3
Start of MODEL 13
1 H THR 46 H THR 46 75.279 0.737 -13.818
2 HG1 THR 46 HG21 THR 46 75.159 2.750 -15.453
3 HG21 THR 46 HG22 THR 46 73.281 2.873 -12.086
4 HG22 THR 46 HG23 THR 46 74.231 4.246 -12.656
5 HG23 THR 46 HXT THR 46 72.499 4.178 -12.975
6 HA THR 46 HB1 THR 46 72.351 1.324 -13.488
7 HB THR 46 HG12 THR 46 73.102 3.343 -14.989
No H/Q in entry = 7
Start of MODEL 13
1 H GLU 47 H GLU 47 74.175 -0.756 -15.162
2 HB2 GLU 47 HG2 GLU 47 74.480 -2.513 -18.221
3 HB3 GLU 47 HG3 GLU 47 75.405 -1.986 -16.818
4 HA GLU 47 HB1 GLU 47 74.284 -0.070 -17.860
5 HG3 GLU 47 HD3 GLU 47 72.669 -3.301 -16.786
6 HG2 GLU 47 HD2 GLU 47 73.483 -2.662 -15.357
No H/Q in entry = 6
Start of MODEL 13
1 H ASP 48 H ASP 48 71.428 -1.095 -16.087
2 HA ASP 48 HB1 ASP 48 69.886 -2.102 -18.303
3 HB3 ASP 48 HG3 ASP 48 67.980 -1.639 -16.716
4 HB2 ASP 48 HG2 ASP 48 69.128 -0.819 -15.659
No H/Q in entry = 4
Start of MODEL 13
1 H ARG 49 H ARG 49 69.544 1.059 -16.624
2 HB2 ARG 49 HG2 ARG 49 68.585 2.935 -16.163
3 HB3 ARG 49 HG3 ARG 49 68.198 4.206 -17.324
4 HG2 ARG 49 HD2 ARG 49 66.362 2.625 -18.189
5 HG3 ARG 49 HD3 ARG 49 66.626 1.701 -16.710
6 HD2 ARG 49 HD3 ARG 49 66.016 3.577 -15.325
7 HE ARG 49 HH12 ARG 49 64.227 2.401 -17.088
8 HH11 ARG 49 HH21 ARG 49 64.521 5.608 -15.714
9 HH12 ARG 49 HH22 ARG 49 62.819 5.901 -15.787
10 HD3 ARG 49 HXT ARG 49 66.020 4.676 -16.717
11 HH21 ARG 49 HXT ARG 49 62.036 2.826 -17.162
12 HH22 ARG 49 H1 ARG 49 61.426 4.346 -16.597
13 HA ARG 49 HB1 ARG 49 68.324 2.227 -19.067
No H/Q in entry = 13
Start of MODEL 13
1 H ASP 50 H ASP 50 71.425 1.666 -18.416
2 HA ASP 50 HB1 ASP 50 72.738 4.154 -18.017
3 HB3 ASP 50 HG3 ASP 50 73.747 1.901 -17.782
4 HB2 ASP 50 HG2 ASP 50 74.717 2.931 -18.827
No H/Q in entry = 4
Start of MODEL 13
1 H THR 51 H THR 51 74.267 5.128 -19.729
2 HG1 THR 51 HG21 THR 51 74.952 7.577 -19.777
3 HG21 THR 51 HG22 THR 51 73.638 7.947 -23.037
4 HG22 THR 51 HG23 THR 51 75.207 8.604 -22.569
5 HG23 THR 51 HXT THR 51 75.121 7.177 -23.600
6 HA THR 51 HB1 THR 51 72.753 5.973 -22.089
7 HB THR 51 HG12 THR 51 75.663 6.437 -21.367
No H/Q in entry = 7
Start of MODEL 13
1 H GLN 52 H GLN 52 73.743 5.783 -24.303
2 HB2 GLN 52 HG2 GLN 52 74.410 3.801 -27.211
3 HB3 GLN 52 HG3 GLN 52 72.972 4.278 -26.313
4 HE21 GLN 52 HE22 GLN 52 75.610 7.348 -28.464
5 HE22 GLN 52 HXT GLN 52 74.695 7.075 -29.867
6 HA GLN 52 HB1 GLN 52 74.470 3.005 -24.851
7 HG3 GLN 52 HD3 GLN 52 75.343 6.131 -26.526
8 HG2 GLN 52 HD2 GLN 52 73.664 6.530 -26.168
No H/Q in entry = 8
Start of MODEL 13
1 H PHE 53 H PHE 53 76.379 5.572 -23.817
2 HD1 PHE 53 HD2 PHE 53 77.310 6.438 -26.322
3 HD2 PHE 53 HE1 PHE 53 80.876 8.075 -24.505
4 HE1 PHE 53 HE2 PHE 53 77.756 7.759 -28.391
5 HE2 PHE 53 HZ PHE 53 81.323 9.395 -26.576
6 HZ PHE 53 HXT PHE 53 79.763 9.238 -28.518
7 HA PHE 53 HB1 PHE 53 78.812 4.568 -25.196
8 HB3 PHE 53 HG3 PHE 53 79.691 6.367 -23.406
9 HB2 PHE 53 HG2 PHE 53 78.010 6.860 -23.459
No H/Q in entry = 9
Start of MODEL 13
1 H GLN 54 H GLN 54 80.684 3.963 -23.718
2 HB2 GLN 54 HG2 GLN 54 82.523 3.201 -22.477
3 HB3 GLN 54 HG3 GLN 54 82.363 1.697 -21.571
4 HE21 GLN 54 HE22 GLN 54 80.159 0.199 -25.017
5 HE22 GLN 54 HXT GLN 54 80.061 -1.232 -24.109
6 HA GLN 54 HB1 GLN 54 79.878 1.798 -21.979
7 HG3 GLN 54 HD3 GLN 54 82.954 1.409 -24.022
8 HG2 GLN 54 HD2 GLN 54 81.349 2.033 -24.404
No H/Q in entry = 8
Start of MODEL 13
1 H ILE 55 H ILE 55 79.631 1.768 -19.763
2 HB ILE 55 HG12 ILE 55 78.248 2.078 -17.658
3 HG12 ILE 55 HG13 ILE 55 77.612 3.322 -19.688
4 HG13 ILE 55 HG21 ILE 55 76.540 3.742 -18.356
5 HG21 ILE 55 HG22 ILE 55 78.933 4.698 -16.333
6 HG22 ILE 55 HG23 ILE 55 77.329 3.983 -16.159
7 HD11 ILE 55 HD12 ILE 55 77.937 5.778 -17.933
8 HD12 ILE 55 HD13 ILE 55 78.892 5.377 -19.360
9 HG23 ILE 55 HXT ILE 55 78.753 3.104 -15.601
10 HD13 ILE 55 HXT ILE 55 77.184 5.782 -19.528
11 HA ILE 55 HB1 ILE 55 80.269 4.279 -18.243
No H/Q in entry = 11
Start of MODEL 13
1 H ALA 56 H ALA 56 81.660 4.079 -16.500
2 HA ALA 56 HB1 ALA 56 82.926 1.424 -16.061
3 HB1 ALA 56 HB2 ALA 56 84.223 3.509 -16.565
4 HB2 ALA 56 HB3 ALA 56 84.680 2.773 -15.027
5 HB3 ALA 56 HXT ALA 56 83.636 4.195 -15.049
No H/Q in entry = 5
Start of MODEL 13
1 HB2 PRO 57 HG2 PRO 57 80.924 -1.275 -11.664
2 HB3 PRO 57 HG3 PRO 57 79.649 -0.821 -12.810
3 HG2 PRO 57 HD2 PRO 57 82.403 -1.800 -13.336
4 HG3 PRO 57 HD3 PRO 57 80.898 -2.132 -14.206
5 HD2 PRO 57 HD3 PRO 57 82.792 -0.387 -15.092
6 HD3 PRO 57 HXT PRO 57 81.064 -0.240 -15.479
7 HA PRO 57 HB1 PRO 57 80.318 1.332 -12.319
No H/Q in entry = 7
Start of MODEL 13
1 H GLN 58 H GLN 58 80.977 1.736 -10.201
2 HB2 GLN 58 HG2 GLN 58 81.825 3.408 -8.699
3 HB3 GLN 58 HG3 GLN 58 83.459 3.322 -8.039
4 HE21 GLN 58 HE22 GLN 58 84.960 5.879 -10.734
5 HE22 GLN 58 HXT GLN 58 84.162 7.191 -10.013
6 HA GLN 58 HB1 GLN 58 83.892 1.366 -9.579
7 HG3 GLN 58 HD3 GLN 58 82.778 3.716 -10.969
8 HG2 GLN 58 HD2 GLN 58 84.402 3.668 -10.283
No H/Q in entry = 8
Start of MODEL 13
1 H SER 59 H SER 59 84.392 0.187 -7.751
2 HG SER 59 HXT SER 59 84.044 -3.575 -7.120
3 HA SER 59 HB1 SER 59 82.175 -1.094 -6.259
4 HB3 SER 59 HG3 SER 59 84.108 -2.427 -5.340
5 HB2 SER 59 HG2 SER 59 85.185 -1.441 -6.326
No H/Q in entry = 5
Start of MODEL 13
1 H GLN 60 H GLN 60 83.470 1.850 -5.891
2 HB2 GLN 60 HG2 GLN 60 84.604 3.713 -5.061
3 HB3 GLN 60 HG3 GLN 60 82.911 4.057 -4.700
4 HE21 GLN 60 HE22 GLN 60 86.260 6.268 -3.224
5 HE22 GLN 60 HXT GLN 60 85.501 7.638 -3.877
6 HA GLN 60 HB1 GLN 60 84.543 1.960 -3.238
7 HG3 GLN 60 HD3 GLN 60 85.251 4.311 -2.788
8 HG2 GLN 60 HD2 GLN 60 83.561 4.522 -2.329
No H/Q in entry = 8
Start of MODEL 13
1 H ILE 61 H ILE 61 83.534 2.052 -1.238
2 HB ILE 61 HG12 ILE 61 82.755 1.477 0.985
3 HG12 ILE 61 HG13 ILE 61 83.153 -0.186 -0.786
4 HG13 ILE 61 HG21 ILE 61 82.604 -0.983 0.686
5 HG21 ILE 61 HG22 ILE 61 79.839 0.689 0.943
6 HG22 ILE 61 HG23 ILE 61 80.974 -0.014 2.094
7 HD11 ILE 61 HD12 ILE 61 80.275 -0.994 -0.261
8 HD12 ILE 61 HD13 ILE 61 80.931 -0.351 -1.767
9 HG23 ILE 61 HXT ILE 61 80.676 1.724 2.100
10 HD13 ILE 61 HXT ILE 61 81.418 -1.950 -1.205
11 HA ILE 61 HB1 ILE 61 80.593 1.603 -1.149
No H/Q in entry = 11
Start of MODEL 13
1 H TYR 62 H TYR 62 79.202 3.166 -0.358
2 HD1 TYR 62 HD2 TYR 62 79.561 7.660 -1.550
3 HD2 TYR 62 HE1 TYR 62 77.754 3.815 -2.352
4 HE1 TYR 62 HE2 TYR 62 80.057 7.934 -3.981
5 HE2 TYR 62 HH TYR 62 78.250 4.088 -4.782
6 HH TYR 62 HXT TYR 62 79.063 7.003 -6.183
7 HA TYR 62 HB1 TYR 62 80.343 5.813 0.374
8 HB3 TYR 62 HG3 TYR 62 77.963 6.494 0.076
9 HB2 TYR 62 HG2 TYR 62 77.546 4.814 -0.206
No H/Q in entry = 9
Start of MODEL 13
1 H ASP 63 H ASP 63 80.685 6.148 2.531
2 HA ASP 63 HB1 ASP 63 79.812 4.685 4.751
3 HB3 ASP 63 HG3 ASP 63 80.147 7.692 4.640
4 HB2 ASP 63 HG2 ASP 63 81.501 6.562 4.580
No H/Q in entry = 4
Start of MODEL 13
1 H TYR 64 H TYR 64 78.131 7.423 3.177
2 HD1 TYR 64 HD2 TYR 64 74.281 9.894 4.083
3 HD2 TYR 64 HE1 TYR 64 75.627 8.261 7.855
4 HE1 TYR 64 HE2 TYR 64 72.171 10.655 5.165
5 HE2 TYR 64 HH TYR 64 73.515 9.027 8.934
6 HH TYR 64 HXT TYR 64 71.539 11.273 7.744
7 HA TYR 64 HB1 TYR 64 75.594 6.700 4.533
8 HB3 TYR 64 HG3 TYR 64 76.882 9.427 4.802
9 HB2 TYR 64 HG2 TYR 64 77.039 8.174 6.016
No H/Q in entry = 9
Start of MODEL 13
1 H ILE 65 H ILE 65 73.985 6.975 3.040
2 HB ILE 65 HG12 ILE 65 73.127 6.480 0.633
3 HG12 ILE 65 HG13 ILE 65 75.524 7.938 -0.539
4 HG13 ILE 65 HG21 ILE 65 75.613 6.668 0.679
5 HG21 ILE 65 HG22 ILE 65 73.275 8.915 -1.179
6 HG22 ILE 65 HG23 ILE 65 72.876 7.287 -1.731
7 HD11 ILE 65 HD12 ILE 65 74.198 5.301 -1.089
8 HD12 ILE 65 HD13 ILE 65 74.888 6.461 -2.224
9 HG23 ILE 65 HXT ILE 65 71.807 8.126 -0.604
10 HD13 ILE 65 HXT ILE 65 75.948 5.431 -1.264
11 HA ILE 65 HB1 ILE 65 74.214 9.280 1.124
No H/Q in entry = 11
Start of MODEL 13
1 H LEU 66 H LEU 66 72.535 10.680 1.349
2 HD11 LEU 66 HD12 LEU 66 69.991 11.825 4.910
3 HD12 LEU 66 HD13 LEU 66 68.368 12.515 4.911
4 HD13 LEU 66 HD21 LEU 66 68.638 10.895 4.267
5 HD21 LEU 66 HD22 LEU 66 69.866 14.405 2.216
6 HD22 LEU 66 HD23 LEU 66 68.357 14.396 3.128
7 HG LEU 66 HXT LEU 66 68.511 12.186 2.315
8 HD23 LEU 66 HXT LEU 66 69.899 14.288 3.976
9 HA LEU 66 HB1 LEU 66 70.127 9.921 2.899
10 HB3 LEU 66 HG3 LEU 66 70.916 12.530 1.560
11 HB2 LEU 66 HG2 LEU 66 71.409 12.069 3.189
No H/Q in entry = 11
Start of MODEL 13
1 H PHE 67 H PHE 67 68.096 9.635 1.961
2 HD1 PHE 67 HD2 PHE 67 68.308 8.992 -2.702
3 HD2 PHE 67 HE1 PHE 67 69.215 5.905 0.185
4 HE1 PHE 67 HE2 PHE 67 70.107 8.127 -4.186
5 HE2 PHE 67 HZ PHE 67 71.031 5.050 -1.298
6 HZ PHE 67 HXT PHE 67 71.477 6.163 -3.488
7 HA PHE 67 HB1 PHE 67 67.855 10.004 -1.000
8 HB3 PHE 67 HG3 PHE 67 66.580 7.682 -0.670
9 HB2 PHE 67 HG2 PHE 67 67.649 7.564 0.713
No H/Q in entry = 9
Start of MODEL 13
1 H ARG 68 H ARG 68 65.962 11.032 -1.494
2 HB2 ARG 68 HG2 ARG 68 64.287 12.414 -2.233
3 HB3 ARG 68 HG3 ARG 68 62.857 12.765 -1.261
4 HG2 ARG 68 HD2 ARG 68 64.349 13.530 0.589
5 HG3 ARG 68 HD3 ARG 68 65.739 13.277 -0.467
6 HD2 ARG 68 HD3 ARG 68 63.415 15.117 -1.142
7 HE ARG 68 HH12 ARG 68 64.528 14.758 -3.204
8 HH11 ARG 68 HH21 ARG 68 66.869 15.000 -0.614
9 HH12 ARG 68 HH22 ARG 68 68.216 14.989 -1.697
10 HD3 ARG 68 HXT ARG 68 64.961 15.665 -0.464
11 HH21 ARG 68 HXT ARG 68 66.301 14.746 -4.566
12 HH22 ARG 68 H1 ARG 68 67.900 14.846 -3.909
13 HA ARG 68 HB1 ARG 68 63.778 11.206 0.501
No H/Q in entry = 13
Start of MODEL 13
1 H GLY 69 H GLY 69 61.652 10.401 0.080
2 HA2 GLY 69 HA3 GLY 69 60.029 8.959 -0.808
3 HA3 GLY 69 HXT GLY 69 61.373 7.973 -1.378
No H/Q in entry = 3
Start of MODEL 13
1 H SER 70 H SER 70 61.192 11.285 -2.457
2 HG SER 70 HXT SER 70 62.116 13.928 -4.079
3 HA SER 70 HB1 SER 70 59.452 10.934 -4.725
4 HB3 SER 70 HG3 SER 70 60.093 13.079 -3.595
5 HB2 SER 70 HG2 SER 70 60.302 13.133 -5.342
No H/Q in entry = 5
Start of MODEL 13
1 H ASP 71 H ASP 71 63.013 10.742 -4.385
2 HA ASP 71 HB1 ASP 71 63.370 10.376 -7.281
3 HB3 ASP 71 HG3 ASP 71 64.977 11.653 -5.931
4 HB2 ASP 71 HG2 ASP 71 65.767 10.254 -6.650
No H/Q in entry = 4
Start of MODEL 13
1 H ILE 72 H ILE 72 63.398 8.313 -4.385
2 HB ILE 72 HG12 ILE 72 64.124 6.575 -3.181
3 HG12 ILE 72 HG13 ILE 72 66.141 5.143 -4.884
4 HG13 ILE 72 HG21 ILE 72 65.922 6.878 -5.098
5 HG21 ILE 72 HG22 ILE 72 64.283 3.803 -4.418
6 HG22 ILE 72 HG23 ILE 72 64.691 4.207 -2.751
7 HD11 ILE 72 HD12 ILE 72 66.372 5.638 -2.385
8 HD12 ILE 72 HD13 ILE 72 67.704 6.169 -3.416
9 HG23 ILE 72 HXT ILE 72 63.027 4.355 -3.311
10 HD13 ILE 72 HXT ILE 72 66.511 7.334 -2.842
11 HA ILE 72 HB1 ILE 72 63.920 5.940 -6.120
No H/Q in entry = 11
Start of MODEL 13
1 H LYS 73 H LYS 73 62.397 4.280 -6.315
2 HB2 LYS 73 HG2 LYS 73 60.558 5.064 -8.108
3 HB3 LYS 73 HG3 LYS 73 60.634 3.319 -7.868
4 HG2 LYS 73 HG3 LYS 73 58.198 3.294 -7.392
5 HG3 LYS 73 HD2 LYS 73 58.136 5.029 -7.707
6 HD2 LYS 73 HD3 LYS 73 59.040 4.590 -10.003
7 HE2 LYS 73 HE3 LYS 73 56.509 3.009 -9.423
8 HE3 LYS 73 HZ1 LYS 73 56.567 4.781 -9.507
9 HZ1 LYS 73 HZ2 LYS 73 57.561 4.601 -11.711
10 HZ2 LYS 73 HZ3 LYS 73 57.457 2.910 -11.639
11 HD3 LYS 73 HXT LYS 73 58.915 2.861 -9.676
12 HZ3 LYS 73 HXT LYS 73 56.040 3.846 -11.674
13 HA LYS 73 HB1 LYS 73 59.625 5.252 -5.767
No H/Q in entry = 13
Start of MODEL 13
1 H ASP 74 H ASP 74 61.802 2.578 -5.080
2 HA ASP 74 HB1 ASP 74 59.552 1.198 -3.701
3 HB3 ASP 74 HG3 ASP 74 61.315 -0.193 -5.741
4 HB2 ASP 74 HG2 ASP 74 59.703 0.423 -6.107
No H/Q in entry = 4
Start of MODEL 13
1 H ILE 75 H ILE 75 60.223 0.432 -1.779
2 HB ILE 75 HG12 ILE 75 62.620 1.884 -0.504
3 HG12 ILE 75 HG13 ILE 75 62.879 -0.095 1.770
4 HG13 ILE 75 HG21 ILE 75 64.183 0.195 0.618
5 HG21 ILE 75 HG22 ILE 75 60.205 1.554 -0.060
6 HG22 ILE 75 HG23 ILE 75 60.605 0.432 1.240
7 HD11 ILE 75 HD12 ILE 75 63.791 2.716 1.188
8 HD12 ILE 75 HD13 ILE 75 62.986 2.089 2.627
9 HG23 ILE 75 HXT ILE 75 61.054 2.133 1.374
10 HD13 ILE 75 HXT ILE 75 64.684 1.714 2.332
11 HA ILE 75 HB1 ILE 75 63.091 -0.368 -1.443
No H/Q in entry = 11
Start of MODEL 13
1 H ARG 76 H ARG 76 63.350 -2.320 -0.341
2 HB2 ARG 76 HG2 ARG 76 62.420 -4.674 -1.274
3 HB3 ARG 76 HG3 ARG 76 61.349 -5.590 -0.214
4 HG2 ARG 76 HD2 ARG 76 59.577 -3.831 -0.655
5 HG3 ARG 76 HD3 ARG 76 60.642 -3.175 -1.899
6 HD2 ARG 76 HD3 ARG 76 59.082 -4.712 -2.972
7 HE ARG 76 HH12 ARG 76 59.129 -6.076 -0.558
8 HH11 ARG 76 HH21 ARG 76 59.718 -7.010 -3.880
9 HH12 ARG 76 HH22 ARG 76 59.200 -8.638 -3.617
10 HD3 ARG 76 HXT ARG 76 60.681 -5.479 -2.957
11 HH21 ARG 76 HXT ARG 76 58.468 -8.190 -0.267
12 HH22 ARG 76 H1 ARG 76 58.499 -9.300 -1.596
13 HA ARG 76 HB1 ARG 76 61.046 -3.476 1.150
No H/Q in entry = 13
Start of MODEL 13
1 H VAL 77 H VAL 77 61.709 -4.888 2.788
2 HB VAL 77 HG12 VAL 77 63.758 -5.998 5.532
3 HG11 VAL 77 HG12 VAL 77 62.484 -3.481 4.491
4 HG12 VAL 77 HG13 VAL 77 62.111 -4.061 6.113
5 HG13 VAL 77 HG21 VAL 77 63.773 -3.663 5.680
6 HG21 VAL 77 HG22 VAL 77 61.786 -7.133 4.235
7 HG22 VAL 77 HG23 VAL 77 61.505 -6.578 5.884
8 HG23 VAL 77 HXT VAL 77 60.943 -5.612 4.522
9 HA VAL 77 HB1 VAL 77 64.585 -4.931 3.435
No H/Q in entry = 9
Start of MODEL 13
1 H VAL 78 H VAL 78 65.866 -6.833 3.570
2 HB VAL 78 HG12 VAL 78 67.638 -8.343 3.003
3 HG11 VAL 78 HG12 VAL 78 66.862 -10.340 0.851
4 HG12 VAL 78 HG13 VAL 78 68.512 -9.931 1.322
5 HG13 VAL 78 HG21 VAL 78 67.445 -10.746 2.465
6 HG21 VAL 78 HG22 VAL 78 66.302 -7.821 0.336
7 HG22 VAL 78 HG23 VAL 78 66.994 -6.641 1.449
8 HG23 VAL 78 HXT VAL 78 68.050 -7.730 0.550
9 HA VAL 78 HB1 VAL 78 64.917 -9.077 1.859
No H/Q in entry = 9
Start of MODEL 13
1 H ASN 79 H ASN 79 64.313 -11.002 2.775
2 HD21 ASN 79 HD22 ASN 79 63.370 -10.926 6.973
3 HD22 ASN 79 HXT ASN 79 62.128 -9.780 6.809
4 HA ASN 79 HB1 ASN 79 64.905 -11.461 5.674
5 HB3 ASN 79 HG3 ASN 79 62.965 -13.085 5.384
6 HB2 ASN 79 HG2 ASN 79 62.791 -12.458 3.744
No H/Q in entry = 6
Start of MODEL 13
1 H ASN 80 H ASN 80 65.069 -12.939 2.450
2 HD21 ASN 80 HD22 ASN 80 66.402 -16.477 -0.431
3 HD22 ASN 80 HXT ASN 80 66.774 -18.034 0.134
4 HA ASN 80 HB1 ASN 80 66.491 -15.311 3.587
5 HB3 ASN 80 HG3 ASN 80 65.433 -14.855 0.785
6 HB2 ASN 80 HG2 ASN 80 64.423 -15.465 2.097
No H/Q in entry = 6
Start of MODEL 13
1 H HIS 81 H HIS 81 68.644 -15.648 3.099
2 HD1 HIS 81 HD2 HIS 81 71.949 -11.988 2.062
3 HD2 HIS 81 HE1 HIS 81 73.746 -15.613 3.064
4 HE1 HIS 81 HE2 HIS 81 74.423 -11.715 1.596
5 HA HIS 81 HB1 HIS 81 69.993 -13.644 1.319
6 HB3 HIS 81 HG3 HIS 81 71.051 -15.383 3.563
7 HB2 HIS 81 HG2 HIS 81 70.552 -13.712 3.747
No H/Q in entry = 7
Start of MODEL 13
1 H THR 82 H THR 82 71.208 -14.408 -0.406
2 HG1 THR 82 HG21 THR 82 69.208 -16.542 -2.096
3 HG21 THR 82 HG22 THR 82 70.928 -18.031 -3.116
4 HG22 THR 82 HG23 THR 82 70.709 -16.873 -4.428
5 HG23 THR 82 HXT THR 82 72.315 -17.148 -3.754
6 HA THR 82 HB1 THR 82 71.194 -17.369 -0.872
7 HB THR 82 HG12 THR 82 71.521 -15.077 -2.833
No H/Q in entry = 7
Start of MODEL 13
1 H LEU 83 H LEU 83 73.150 -18.406 -1.302
2 HD11 LEU 83 HD12 LEU 83 75.999 -19.666 2.326
3 HD12 LEU 83 HD13 LEU 83 74.919 -18.594 3.218
4 HD13 LEU 83 HD21 LEU 83 74.265 -19.703 2.012
5 HD21 LEU 83 HD22 LEU 83 76.738 -16.507 0.688
6 HD22 LEU 83 HD23 LEU 83 76.182 -16.445 2.361
7 HG LEU 83 HXT LEU 83 74.375 -17.403 1.123
8 HD23 LEU 83 HXT LEU 83 77.298 -17.712 1.848
9 HA LEU 83 HB1 LEU 83 75.639 -16.737 -1.106
10 HB3 LEU 83 HG3 LEU 83 76.580 -18.939 -0.231
11 HB2 LEU 83 HG2 LEU 83 74.928 -19.557 -0.249
No H/Q in entry = 11
Start of MODEL 13
1 HB2 PRO 84 HG2 PRO 84 79.569 -18.697 -4.709
2 HB3 PRO 84 HG3 PRO 84 78.880 -17.074 -4.898
3 HG2 PRO 84 HD2 PRO 84 79.732 -18.490 -2.432
4 HG3 PRO 84 HD3 PRO 84 79.862 -16.777 -2.855
5 HD2 PRO 84 HD3 PRO 84 77.978 -17.762 -1.156
6 HD3 PRO 84 HXT PRO 84 77.740 -16.304 -2.145
7 HA PRO 84 HB1 PRO 84 76.880 -18.202 -5.075
No H/Q in entry = 7
Start of MODEL 14
1 H1 GLY -3 H1 GLY -3 46.794 3.145 19.405
2 H2 GLY -3 H2 GLY -3 45.225 3.685 19.055
3 H3 GLY -3 H3 GLY -3 46.465 4.811 19.340
4 HA2 GLY -3 HA3 GLY -3 45.332 2.917 21.328
5 HA3 GLY -3 HXT GLY -3 45.049 4.659 21.272
No H/Q in entry = 5
Start of MODEL 14
1 H ALA -2 H ALA -2 46.741 2.444 22.932
2 HA ALA -2 HB1 ALA -2 48.902 4.390 23.610
3 HB1 ALA -2 HB2 ALA -2 48.979 3.044 25.704
4 HB2 ALA -2 HB3 ALA -2 47.356 3.651 25.377
5 HB3 ALA -2 HXT ALA -2 47.754 1.966 25.036
No H/Q in entry = 5
Start of MODEL 14
1 H MET -1 H MET -1 51.083 3.754 23.543
2 HB2 MET -1 HG2 MET -1 52.407 3.558 21.269
3 HB3 MET -1 HG3 MET -1 53.440 3.622 22.698
4 HE1 MET -1 HE2 MET -1 54.033 -0.482 20.812
5 HE2 MET -1 HE3 MET -1 52.281 -0.297 20.802
6 HE3 MET -1 HXT MET -1 53.111 -0.830 19.343
7 HA MET -1 HB1 MET -1 51.666 1.257 22.018
8 HG3 MET -1 HD3 MET -1 54.372 1.347 21.859
9 HG2 MET -1 HD2 MET -1 54.887 2.812 21.025
No H/Q in entry = 9
Start of MODEL 14
1 H ALA 0 H ALA 0 52.610 -0.451 23.063
2 HA ALA 0 HB1 ALA 0 54.360 -0.013 25.409
3 HB1 ALA 0 HB2 ALA 0 51.613 -1.237 25.440
4 HB2 ALA 0 HB3 ALA 0 52.336 -0.109 26.588
5 HB3 ALA 0 HXT ALA 0 52.828 -1.803 26.586
No H/Q in entry = 5
Start of MODEL 14
1 H MET 1 H MET 1 54.637 -1.135 22.662
2 HB2 MET 1 HG2 MET 1 54.251 -2.790 20.847
3 HB3 MET 1 HG3 MET 1 54.907 -4.423 20.966
4 HE1 MET 1 HE2 MET 1 51.874 -2.452 20.480
5 HE2 MET 1 HE3 MET 1 52.727 -3.219 19.134
6 HE3 MET 1 HXT MET 1 50.976 -3.356 19.265
7 HA MET 1 HB1 MET 1 55.456 -3.933 23.387
8 HG3 MET 1 HD3 MET 1 52.603 -3.276 22.568
9 HG2 MET 1 HD2 MET 1 53.321 -4.859 22.861
No H/Q in entry = 9
Start of MODEL 14
1 H SER 2 H SER 2 57.466 -4.619 22.508
2 HG SER 2 HXT SER 2 60.778 -5.753 22.640
3 HA SER 2 HB1 SER 2 59.203 -2.415 21.457
4 HB3 SER 2 HG3 SER 2 59.713 -3.526 23.652
5 HB2 SER 2 HG2 SER 2 61.009 -3.698 22.472
No H/Q in entry = 5
Start of MODEL 14
1 H GLY 3 H GLY 3 57.374 -4.164 19.809
2 HA2 GLY 3 HA3 GLY 3 58.171 -6.270 18.416
3 HA3 GLY 3 HXT GLY 3 59.446 -5.154 17.922
No H/Q in entry = 3
Start of MODEL 14
1 H GLY 4 H GLY 4 57.865 -2.784 17.800
2 HA2 GLY 4 HA3 GLY 4 55.925 -1.882 16.633
3 HA3 GLY 4 HXT GLY 4 55.769 -3.414 15.776
No H/Q in entry = 3
Start of MODEL 14
1 H LEU 5 H LEU 5 58.541 -1.204 16.272
2 HD11 LEU 5 HD12 LEU 5 58.490 0.995 16.991
3 HD12 LEU 5 HD13 LEU 5 57.580 2.384 16.399
4 HD13 LEU 5 HD21 LEU 5 57.211 0.768 15.799
5 HD21 LEU 5 HD22 LEU 5 60.773 2.812 14.706
6 HD22 LEU 5 HD23 LEU 5 59.302 3.741 14.998
7 HG LEU 5 HXT LEU 5 58.496 1.728 14.065
8 HD23 LEU 5 HXT LEU 5 60.098 2.907 16.333
9 HA LEU 5 HB1 LEU 5 58.571 -0.388 13.457
10 HB3 LEU 5 HG3 LEU 5 60.813 0.633 14.362
11 HB2 LEU 5 HG2 LEU 5 60.218 0.093 15.932
No H/Q in entry = 11
Start of MODEL 14
1 HB2 PRO 6 HG2 PRO 6 62.894 -1.487 10.454
2 HB3 PRO 6 HG3 PRO 6 61.850 -2.752 9.781
3 HG2 PRO 6 HD2 PRO 6 61.231 -0.127 9.690
4 HG3 PRO 6 HD3 PRO 6 60.015 -1.411 9.754
5 HD2 PRO 6 HD3 PRO 6 60.938 0.425 11.905
6 HD3 PRO 6 HXT PRO 6 59.325 -0.262 11.607
7 HA PRO 6 HB1 PRO 6 61.271 -3.510 11.859
No H/Q in entry = 7
Start of MODEL 14
1 H GLU 7 H GLU 7 63.315 -4.430 12.332
2 HB2 GLU 7 HG2 GLU 7 65.421 -5.477 12.452
3 HB3 GLU 7 HG3 GLU 7 66.352 -5.284 13.938
4 HA GLU 7 HB1 GLU 7 64.767 -3.442 14.605
5 HG3 GLU 7 HD3 GLU 7 63.408 -5.989 13.756
6 HG2 GLU 7 HD2 GLU 7 64.292 -5.723 15.259
No H/Q in entry = 6
Start of MODEL 14
1 H LEU 8 H LEU 8 66.449 -1.997 14.707
2 HD11 LEU 8 HD12 LEU 8 68.411 1.363 16.402
3 HD12 LEU 8 HD13 LEU 8 66.764 1.975 16.552
4 HD13 LEU 8 HD21 LEU 8 67.137 0.320 17.035
5 HD21 LEU 8 HD22 LEU 8 67.080 1.523 12.962
6 HD22 LEU 8 HD23 LEU 8 65.914 2.238 14.076
7 HG LEU 8 HXT LEU 8 66.134 0.055 14.917
8 HD23 LEU 8 HXT LEU 8 67.634 2.583 14.258
9 HA LEU 8 HB1 LEU 8 67.315 -0.435 12.463
10 HB3 LEU 8 HG3 LEU 8 69.032 0.350 14.122
11 HB2 LEU 8 HG2 LEU 8 68.505 -0.936 15.209
No H/Q in entry = 11
Start of MODEL 14
1 H GLY 9 H GLY 9 69.290 -0.509 11.283
2 HA2 GLY 9 HA3 GLY 9 71.358 -2.482 11.855
3 HA3 GLY 9 HXT GLY 9 71.330 -1.354 10.518
No H/Q in entry = 3
Start of MODEL 14
1 H SER 10 H SER 10 68.385 -2.894 10.368
2 HG SER 10 HXT SER 10 65.737 -5.132 10.247
3 HA SER 10 HB1 SER 10 68.980 -5.457 9.248
4 HB3 SER 10 HG3 SER 10 66.686 -5.176 8.258
5 HB2 SER 10 HG2 SER 10 66.714 -3.495 8.785
No H/Q in entry = 5
Start of MODEL 14
1 H LYS 11 H LYS 11 69.314 -6.101 7.074
2 HB2 LYS 11 HG2 LYS 11 71.053 -6.040 3.936
3 HB3 LYS 11 HG3 LYS 11 71.388 -6.383 5.629
4 HG2 LYS 11 HG3 LYS 11 69.117 -7.516 5.748
5 HG3 LYS 11 HD2 LYS 11 69.020 -7.339 3.998
6 HD2 LYS 11 HD3 LYS 11 71.286 -8.517 3.894
7 HE2 LYS 11 HE3 LYS 11 68.674 -9.773 4.701
8 HE3 LYS 11 HZ1 LYS 11 69.564 -9.910 3.170
9 HZ1 LYS 11 HZ2 LYS 11 71.299 -11.133 4.328
10 HZ2 LYS 11 HZ3 LYS 11 70.434 -11.024 5.786
11 HD3 LYS 11 HXT LYS 11 71.035 -8.930 5.590
12 HZ3 LYS 11 HXT LYS 11 69.808 -11.927 4.490
13 HA LYS 11 HB1 LYS 11 70.465 -4.085 5.279
No H/Q in entry = 13
Start of MODEL 14
1 H ILE 12 H ILE 12 69.331 -2.996 3.736
2 HB ILE 12 HG12 ILE 12 67.547 -1.237 3.283
3 HG12 ILE 12 HG13 ILE 12 65.513 -2.914 4.789
4 HG13 ILE 12 HG21 ILE 12 67.160 -2.635 5.353
5 HG21 ILE 12 HG22 ILE 12 64.860 -2.417 2.494
6 HG22 ILE 12 HG23 ILE 12 65.168 -0.716 2.840
7 HD11 ILE 12 HD12 ILE 12 66.704 -0.160 5.231
8 HD12 ILE 12 HD13 ILE 12 65.018 -0.543 4.880
9 HG23 ILE 12 HXT ILE 12 65.918 -1.480 1.438
10 HD13 ILE 12 HXT ILE 12 65.725 -1.010 6.427
11 HA ILE 12 HB1 ILE 12 66.693 -4.123 2.841
No H/Q in entry = 11
Start of MODEL 14
1 H SER 13 H SER 13 66.298 -4.088 0.641
2 HG SER 13 HXT SER 13 66.963 -3.897 -3.513
3 HA SER 13 HB1 SER 13 68.471 -3.133 -1.168
4 HB3 SER 13 HG3 SER 13 66.031 -4.877 -1.660
5 HB2 SER 13 HG2 SER 13 67.634 -5.493 -1.271
No H/Q in entry = 5
Start of MODEL 14
1 H LEU 14 H LEU 14 68.016 -1.507 -2.691
2 HD11 LEU 14 HD12 LEU 14 65.294 1.376 0.019
3 HD12 LEU 14 HD13 LEU 14 64.434 2.778 -0.616
4 HD13 LEU 14 HD21 LEU 14 64.285 1.215 -1.418
5 HD21 LEU 14 HD22 LEU 14 67.333 3.043 -0.171
6 HD22 LEU 14 HD23 LEU 14 67.754 3.644 -1.775
7 HG LEU 14 HXT LEU 14 65.816 2.498 -2.744
8 HD23 LEU 14 HXT LEU 14 66.282 4.203 -0.981
9 HA LEU 14 HB1 LEU 14 65.348 -0.168 -2.466
10 HB3 LEU 14 HG3 LEU 14 67.996 1.280 -2.351
11 HB2 LEU 14 HG2 LEU 14 67.279 0.597 -0.893
No H/Q in entry = 11
Start of MODEL 14
1 H ILE 15 H ILE 15 64.599 0.417 -4.474
2 HB ILE 15 HG12 ILE 15 63.508 0.023 -6.628
3 HG12 ILE 15 HG13 ILE 15 65.635 -2.051 -7.230
4 HG13 ILE 15 HG21 ILE 15 64.971 -1.808 -5.615
5 HG21 ILE 15 HG22 ILE 15 64.345 0.954 -8.792
6 HG22 ILE 15 HG23 ILE 15 65.423 -0.435 -8.940
7 HD11 ILE 15 HD12 ILE 15 62.679 -2.185 -6.558
8 HD12 ILE 15 HD13 ILE 15 63.427 -2.580 -8.107
9 HG23 ILE 15 HXT ILE 15 63.675 -0.668 -8.967
10 HD13 ILE 15 HXT ILE 15 63.731 -3.596 -6.697
11 HA ILE 15 HB1 ILE 15 66.530 0.383 -6.768
No H/Q in entry = 11
Start of MODEL 14
1 H SER 16 H SER 16 67.011 2.367 -7.590
2 HG SER 16 HXT SER 16 68.503 5.328 -6.027
3 HA SER 16 HB1 SER 16 65.386 4.739 -6.869
4 HB3 SER 16 HG3 SER 16 67.355 5.934 -7.706
5 HB2 SER 16 HG2 SER 16 68.013 4.432 -8.348
No H/Q in entry = 5
Start of MODEL 14
1 H LYS 17 H LYS 17 64.820 6.322 -8.558
2 HB2 LYS 17 HG2 LYS 17 63.169 7.560 -9.470
3 HB3 LYS 17 HG3 LYS 17 64.477 7.970 -10.579
4 HG2 LYS 17 HG3 LYS 17 62.998 7.413 -12.496
5 HG3 LYS 17 HD2 LYS 17 61.686 7.082 -11.365
6 HD2 LYS 17 HD3 LYS 17 61.921 9.425 -10.498
7 HE2 LYS 17 HE3 LYS 17 61.419 9.250 -13.494
8 HE3 LYS 17 HZ1 LYS 17 60.231 8.826 -12.244
9 HZ1 LYS 17 HZ2 LYS 17 60.486 11.040 -11.302
10 HZ2 LYS 17 HZ3 LYS 17 61.602 11.451 -12.511
11 HD3 LYS 17 HXT LYS 17 63.097 9.732 -11.778
12 HZ3 LYS 17 HXT LYS 17 59.984 11.139 -12.923
13 HA LYS 17 HB1 LYS 17 63.112 5.270 -10.524
No H/Q in entry = 13
Start of MODEL 14
1 H ALA 18 H ALA 18 66.558 5.588 -10.777
2 HA ALA 18 HB1 ALA 18 66.575 5.712 -13.726
3 HB1 ALA 18 HB2 ALA 18 69.107 5.461 -13.171
4 HB2 ALA 18 HB3 ALA 18 68.299 6.936 -12.643
5 HB3 ALA 18 HXT ALA 18 68.608 5.638 -11.487
No H/Q in entry = 5
Start of MODEL 14
1 H ASP 19 H ASP 19 65.486 3.320 -12.051
2 HA ASP 19 HB1 ASP 19 65.592 0.975 -12.017
3 HB3 ASP 19 HG3 ASP 19 66.352 0.005 -14.202
4 HB2 ASP 19 HG2 ASP 19 66.929 1.602 -14.675
No H/Q in entry = 4
Start of MODEL 14
1 H ILE 20 H ILE 20 67.737 2.481 -10.737
2 HB ILE 20 HG12 ILE 20 69.760 3.237 -9.494
3 HG12 ILE 20 HG13 ILE 20 71.006 2.935 -12.248
4 HG13 ILE 20 HG21 ILE 20 69.408 3.604 -11.948
5 HG21 ILE 20 HG22 ILE 20 72.198 1.664 -10.379
6 HG22 ILE 20 HG23 ILE 20 72.283 3.278 -9.673
7 HD11 ILE 20 HD12 ILE 20 70.548 5.278 -10.386
8 HD12 ILE 20 HD13 ILE 20 72.073 4.735 -11.085
9 HG23 ILE 20 HXT ILE 20 71.648 1.934 -8.726
10 HD13 ILE 20 HXT ILE 20 70.855 5.491 -12.109
11 HA ILE 20 HB1 ILE 20 70.125 0.721 -11.162
No H/Q in entry = 11
Start of MODEL 14
1 H ARG 21 H ARG 21 70.862 -0.605 -9.449
2 HB2 ARG 21 HG2 ARG 21 69.481 -2.826 -8.812
3 HB3 ARG 21 HG3 ARG 21 71.135 -2.780 -8.202
4 HG2 ARG 21 HD2 ARG 21 70.239 -3.176 -5.895
5 HG3 ARG 21 HD3 ARG 21 68.632 -3.372 -6.596
6 HD2 ARG 21 HD3 ARG 21 71.023 -5.036 -7.454
7 HE ARG 21 HH12 ARG 21 68.561 -4.639 -8.669
8 HH11 ARG 21 HH21 ARG 21 70.080 -7.376 -7.104
9 HH12 ARG 21 HH22 ARG 21 69.221 -8.527 -8.065
10 HD3 ARG 21 HXT ARG 21 69.859 -5.558 -6.223
11 HH21 ARG 21 HXT ARG 21 67.476 -6.163 -9.888
12 HH22 ARG 21 H1 ARG 21 67.764 -7.851 -9.625
13 HA ARG 21 HB1 ARG 21 68.922 -0.956 -7.199
No H/Q in entry = 13
Start of MODEL 14
1 H TYR 22 H TYR 22 69.545 -0.011 -5.340
2 HD1 TYR 22 HD2 TYR 22 73.477 2.926 -4.220
3 HD2 TYR 22 HE1 TYR 22 69.575 2.525 -6.045
4 HE1 TYR 22 HE2 TYR 22 74.119 4.594 -5.962
5 HE2 TYR 22 HH TYR 22 70.219 4.196 -7.795
6 HH TYR 22 HXT TYR 22 73.311 5.068 -8.452
7 HA TYR 22 HB1 TYR 22 72.448 0.052 -4.592
8 HB3 TYR 22 HG3 TYR 22 71.612 1.859 -3.033
9 HB2 TYR 22 HG2 TYR 22 70.037 1.693 -3.774
No H/Q in entry = 9
Start of MODEL 14
1 H GLU 23 H GLU 23 72.975 -0.795 -2.508
2 HB2 GLU 23 HG2 GLU 23 73.161 -3.323 -1.817
3 HB3 GLU 23 HG3 GLU 23 72.107 -3.921 -0.534
4 HA GLU 23 HB1 GLU 23 70.722 -1.820 -0.821
5 HG3 GLU 23 HD3 GLU 23 71.381 -3.386 -3.423
6 HG2 GLU 23 HD2 GLU 23 70.170 -3.640 -2.168
No H/Q in entry = 6
Start of MODEL 14
1 H GLY 24 H GLY 24 71.157 -1.624 1.405
2 HA2 GLY 24 HA3 GLY 24 72.913 0.370 2.273
3 HA3 GLY 24 HXT GLY 24 73.825 -1.128 2.440
No H/Q in entry = 3
Start of MODEL 14
1 H ARG 25 H ARG 25 73.651 -0.235 4.774
2 HB2 ARG 25 HG2 ARG 25 73.927 -0.071 7.045
3 HB3 ARG 25 HG3 ARG 25 72.929 -0.994 8.169
4 HG2 ARG 25 HD2 ARG 25 73.495 -3.072 6.910
5 HG3 ARG 25 HD3 ARG 25 74.571 -2.124 5.883
6 HD2 ARG 25 HD3 ARG 25 75.811 -1.410 7.971
7 HE ARG 25 HH12 ARG 25 75.779 -4.068 6.742
8 HH11 ARG 25 HH21 ARG 25 77.318 -2.062 9.164
9 HH12 ARG 25 HH22 ARG 25 78.786 -2.972 9.125
10 HD3 ARG 25 HXT ARG 25 74.833 -2.585 8.873
11 HH21 ARG 25 HXT ARG 25 77.697 -5.213 6.728
12 HH22 ARG 25 H1 ARG 25 79.001 -4.737 7.762
13 HA ARG 25 HB1 ARG 25 71.590 -1.802 6.188
No H/Q in entry = 13
Start of MODEL 14
1 H LEU 26 H LEU 26 69.764 -0.934 7.141
2 HD11 LEU 26 HD12 LEU 26 66.917 1.942 6.252
3 HD12 LEU 26 HD13 LEU 26 65.369 1.225 6.696
4 HD13 LEU 26 HD21 LEU 26 65.742 2.883 7.169
5 HD21 LEU 26 HD22 LEU 26 65.361 -0.194 8.696
6 HD22 LEU 26 HD23 LEU 26 66.068 0.506 10.152
7 HG LEU 26 HXT LEU 26 67.189 2.220 8.866
8 HD23 LEU 26 HXT LEU 26 64.832 1.392 9.259
9 HA LEU 26 HB1 LEU 26 68.884 1.767 6.757
10 HB3 LEU 26 HG3 LEU 26 68.078 -0.205 8.907
11 HB2 LEU 26 HG2 LEU 26 67.532 -0.299 7.234
No H/Q in entry = 11
Start of MODEL 14
1 H TYR 27 H TYR 27 69.796 3.559 7.767
2 HD1 TYR 27 HD2 TYR 27 73.093 3.788 11.118
3 HD2 TYR 27 HE1 TYR 27 71.892 7.564 9.386
4 HE1 TYR 27 HE2 TYR 27 74.481 5.000 12.802
5 HE2 TYR 27 HH TYR 27 73.281 8.776 11.072
6 HH TYR 27 HXT TYR 27 74.500 7.316 13.852
7 HA TYR 27 HB1 TYR 27 71.054 3.247 10.452
8 HB3 TYR 27 HG3 TYR 27 71.015 5.583 8.529
9 HB2 TYR 27 HG2 TYR 27 72.209 4.299 8.476
No H/Q in entry = 9
Start of MODEL 14
1 H THR 28 H THR 28 68.738 5.398 8.750
2 HG1 THR 28 HG21 THR 28 68.440 8.672 9.120
3 HG21 THR 28 HG22 THR 28 68.641 6.782 12.656
4 HG22 THR 28 HG23 THR 28 70.049 6.910 11.601
5 HG23 THR 28 HXT THR 28 69.362 8.360 12.334
6 HA THR 28 HB1 THR 28 67.191 5.748 11.252
7 HB THR 28 HG12 THR 28 67.450 8.290 10.942
No H/Q in entry = 7
Start of MODEL 14
1 H VAL 29 H VAL 29 65.113 6.782 10.847
2 HB VAL 29 HG12 VAL 29 63.999 4.776 8.601
3 HG11 VAL 29 HG12 VAL 29 63.668 5.300 11.075
4 HG12 VAL 29 HG13 VAL 29 62.017 5.765 10.664
5 HG13 VAL 29 HG21 VAL 29 62.560 4.109 10.394
6 HG21 VAL 29 HG22 VAL 29 62.310 6.254 7.208
7 HG22 VAL 29 HG23 VAL 29 61.872 4.609 7.665
8 HG23 VAL 29 HXT VAL 29 61.246 5.976 8.586
9 HA VAL 29 HB1 VAL 29 64.358 7.153 7.988
No H/Q in entry = 9
Start of MODEL 14
1 H ASP 30 H ASP 30 62.660 8.644 7.709
2 HA ASP 30 HB1 ASP 30 61.418 9.778 10.194
3 HB3 ASP 30 HG3 ASP 30 62.087 11.361 7.713
4 HB2 ASP 30 HG2 ASP 30 63.308 11.072 8.953
No H/Q in entry = 4
Start of MODEL 14
1 HB2 PRO 31 HG2 PRO 31 56.407 8.775 9.867
2 HB3 PRO 31 HG3 PRO 31 56.595 7.237 9.006
3 HG2 PRO 31 HD2 PRO 31 57.637 7.649 11.439
4 HG3 PRO 31 HD3 PRO 31 58.415 6.613 10.235
5 HD2 PRO 31 HD3 PRO 31 59.140 9.360 11.113
6 HD3 PRO 31 HXT PRO 31 60.186 8.018 10.596
7 HA PRO 31 HB1 PRO 31 58.093 8.123 7.514
No H/Q in entry = 7
Start of MODEL 14
1 H GLN 32 H GLN 32 57.839 11.053 9.546
2 HB2 GLN 32 HG2 GLN 32 57.247 13.191 10.247
3 HB3 GLN 32 HG3 GLN 32 55.801 13.981 9.619
4 HE21 GLN 32 HE22 GLN 32 53.368 12.241 12.281
5 HE22 GLN 32 HXT GLN 32 53.982 13.193 13.545
6 HA GLN 32 HB1 GLN 32 55.531 12.048 8.014
7 HG3 GLN 32 HD3 GLN 32 55.886 11.204 10.837
8 HG2 GLN 32 HD2 GLN 32 54.445 12.023 10.234
No H/Q in entry = 8
Start of MODEL 14
1 H GLU 33 H GLU 33 59.011 12.532 8.024
2 HB2 GLU 33 HG2 GLU 33 61.107 13.084 7.233
3 HB3 GLU 33 HG3 GLU 33 61.359 14.482 6.189
4 HA GLU 33 HB1 GLU 33 58.860 14.810 6.153
5 HG3 GLU 33 HD3 GLU 33 61.586 14.975 8.658
6 HG2 GLU 33 HD2 GLU 33 59.870 14.611 8.826
No H/Q in entry = 6
Start of MODEL 14
1 H CYS 34 H CYS 34 58.264 11.543 5.736
2 HG CYS 34 HXT CYS 34 56.200 10.499 3.175
3 HA CYS 34 HB1 CYS 34 58.461 10.020 3.947
4 HB3 CYS 34 HG3 CYS 34 58.359 11.323 1.697
5 HB2 CYS 34 HG2 CYS 34 58.292 12.766 2.709
No H/Q in entry = 5
Start of MODEL 14
1 H THR 35 H THR 35 60.992 10.595 5.189
2 HG1 THR 35 HG21 THR 35 63.564 12.801 6.053
3 HG21 THR 35 HG22 THR 35 62.029 12.662 2.675
4 HG22 THR 35 HG23 THR 35 62.269 13.861 3.945
5 HG23 THR 35 HXT THR 35 63.569 13.509 2.809
6 HA THR 35 HB1 THR 35 62.842 10.492 2.830
7 HB THR 35 HG12 THR 35 64.351 11.976 4.254
No H/Q in entry = 7
Start of MODEL 14
1 H ILE 36 H ILE 36 64.808 9.321 3.248
2 HB ILE 36 HG12 ILE 36 65.377 5.795 4.664
3 HG12 ILE 36 HG13 ILE 36 64.373 7.265 2.209
4 HG13 ILE 36 HG21 ILE 36 66.084 6.949 2.496
5 HG21 ILE 36 HG22 ILE 36 63.064 6.824 5.424
6 HG22 ILE 36 HG23 ILE 36 62.755 6.878 3.689
7 HD11 ILE 36 HD12 ILE 36 64.028 4.738 2.567
8 HD12 ILE 36 HD13 ILE 36 64.816 5.227 1.068
9 HG23 ILE 36 HXT ILE 36 63.107 5.338 4.474
10 HD13 ILE 36 HXT ILE 36 65.778 4.595 2.404
11 HA ILE 36 HB1 ILE 36 65.040 7.947 5.885
No H/Q in entry = 11
Start of MODEL 14
1 H ALA 37 H ALA 37 67.228 7.082 6.241
2 HA ALA 37 HB1 ALA 37 69.300 7.978 4.277
3 HB1 ALA 37 HB2 ALA 37 68.798 9.394 6.493
4 HB2 ALA 37 HB3 ALA 37 70.446 9.168 5.906
5 HB3 ALA 37 HXT ALA 37 69.831 8.163 7.221
No H/Q in entry = 5
Start of MODEL 14
1 H LEU 38 H LEU 38 70.633 6.307 3.782
2 HD11 LEU 38 HD12 LEU 38 69.610 2.164 1.625
3 HD12 LEU 38 HD13 LEU 38 67.943 2.725 1.757
4 HD13 LEU 38 HD21 LEU 38 69.184 3.796 1.109
5 HD21 LEU 38 HD22 LEU 38 69.455 1.751 4.417
6 HD22 LEU 38 HD23 LEU 38 68.553 3.047 5.203
7 HG LEU 38 HXT LEU 38 68.782 4.494 3.375
8 HD23 LEU 38 HXT LEU 38 67.806 2.112 3.908
9 HA LEU 38 HB1 LEU 38 70.623 3.895 5.563
10 HB3 LEU 38 HG3 LEU 38 71.246 2.731 3.436
11 HB2 LEU 38 HG2 LEU 38 71.180 4.281 2.600
No H/Q in entry = 11
Start of MODEL 14
1 H SER 39 H SER 39 72.650 2.952 6.105
2 HG SER 39 HXT SER 39 75.012 2.007 8.062
3 HA SER 39 HB1 SER 39 75.039 4.692 5.553
4 HB3 SER 39 HG3 SER 39 74.147 4.679 7.890
5 HB2 SER 39 HG2 SER 39 75.773 4.008 7.800
No H/Q in entry = 5
Start of MODEL 14
1 H SER 40 H SER 40 77.071 3.516 5.286
2 HG SER 40 HXT SER 40 76.540 -1.085 5.418
3 HA SER 40 HB1 SER 40 78.241 1.945 3.967
4 HB3 SER 40 HG3 SER 40 78.020 1.023 6.344
5 HB2 SER 40 HG2 SER 40 78.379 -0.162 5.096
No H/Q in entry = 5
Start of MODEL 14
1 H VAL 41 H VAL 41 77.050 2.409 2.010
2 HB VAL 41 HG12 VAL 41 73.967 2.185 1.837
3 HG11 VAL 41 HG12 VAL 41 75.778 3.825 1.267
4 HG12 VAL 41 HG13 VAL 41 75.401 3.572 -0.441
5 HG13 VAL 41 HG21 VAL 41 74.193 4.274 0.636
6 HG21 VAL 41 HG22 VAL 41 73.982 1.115 -0.936
7 HG22 VAL 41 HG23 VAL 41 72.675 1.172 0.244
8 HG23 VAL 41 HXT VAL 41 73.075 2.606 -0.696
9 HA VAL 41 HB1 VAL 41 75.270 0.166 1.150
No H/Q in entry = 9
Start of MODEL 14
1 H ARG 42 H ARG 42 75.446 -0.333 -1.100
2 HB2 ARG 42 HG2 ARG 42 78.456 -1.032 -3.343
3 HB3 ARG 42 HG3 ARG 42 78.536 -0.819 -1.597
4 HG2 ARG 42 HD2 ARG 42 76.372 -2.116 -1.423
5 HG3 ARG 42 HD3 ARG 42 76.519 -2.469 -3.145
6 HD2 ARG 42 HD3 ARG 42 78.767 -3.490 -2.702
7 HE ARG 42 HH12 ARG 42 76.187 -4.533 -1.794
8 HH11 ARG 42 HH21 ARG 42 79.600 -5.245 -2.106
9 HH12 ARG 42 HH22 ARG 42 79.340 -6.953 -2.139
10 HD3 ARG 42 HXT ARG 42 78.491 -3.249 -0.967
11 HH21 ARG 42 HXT ARG 42 75.902 -6.747 -1.840
12 HH22 ARG 42 H1 ARG 42 77.272 -7.797 -1.989
13 HA ARG 42 HB1 ARG 42 77.515 1.162 -2.657
No H/Q in entry = 13
Start of MODEL 14
1 H SER 43 H SER 43 77.198 1.045 -4.961
2 HG SER 43 HXT SER 43 76.531 2.627 -8.075
3 HA SER 43 HB1 SER 43 74.479 0.101 -5.801
4 HB3 SER 43 HG3 SER 43 75.120 2.539 -5.954
5 HB2 SER 43 HG2 SER 43 74.667 1.831 -7.500
No H/Q in entry = 5
Start of MODEL 14
1 H PHE 44 H PHE 44 74.339 -1.379 -7.516
2 HD1 PHE 44 HD2 PHE 44 76.183 -5.908 -7.700
3 HD2 PHE 44 HE1 PHE 44 73.241 -3.055 -6.325
4 HE1 PHE 44 HE2 PHE 44 76.005 -7.137 -5.533
5 HE2 PHE 44 HZ PHE 44 73.064 -4.282 -4.159
6 HZ PHE 44 HXT PHE 44 74.444 -6.324 -3.763
7 HA PHE 44 HB1 PHE 44 76.797 -2.931 -7.984
8 HB3 PHE 44 HG3 PHE 44 75.075 -4.357 -9.251
9 HB2 PHE 44 HG2 PHE 44 73.879 -3.204 -8.686
No H/Q in entry = 9
Start of MODEL 14
1 H GLY 45 H GLY 45 74.522 -1.026 -9.997
2 HA2 GLY 45 HA3 GLY 45 75.983 -1.495 -12.458
3 HA3 GLY 45 HXT GLY 45 76.432 0.032 -11.707
No H/Q in entry = 3
Start of MODEL 14
1 H THR 46 H THR 46 75.477 0.871 -13.784
2 HG1 THR 46 HG21 THR 46 74.764 3.176 -15.736
3 HG21 THR 46 HG22 THR 46 72.968 2.559 -12.208
4 HG22 THR 46 HG23 THR 46 74.430 3.510 -12.472
5 HG23 THR 46 HXT THR 46 72.855 4.181 -12.889
6 HA THR 46 HB1 THR 46 72.473 0.937 -13.727
7 HB THR 46 HG12 THR 46 72.817 3.143 -14.902
No H/Q in entry = 7
Start of MODEL 14
1 H GLU 47 H GLU 47 74.788 -0.731 -15.263
2 HB2 GLU 47 HG2 GLU 47 76.331 -1.617 -16.680
3 HB3 GLU 47 HG3 GLU 47 74.998 -2.749 -16.907
4 HA GLU 47 HB1 GLU 47 74.979 0.099 -17.932
5 HG3 GLU 47 HD3 GLU 47 76.615 -1.399 -19.088
6 HG2 GLU 47 HD2 GLU 47 75.186 -2.392 -19.380
No H/Q in entry = 6
Start of MODEL 14
1 H ASP 48 H ASP 48 72.315 -1.600 -16.400
2 HA ASP 48 HB1 ASP 48 71.209 -2.871 -18.737
3 HB3 ASP 48 HG3 ASP 48 69.139 -2.904 -17.295
4 HB2 ASP 48 HG2 ASP 48 69.987 -1.869 -16.146
No H/Q in entry = 4
Start of MODEL 14
1 H ARG 49 H ARG 49 70.045 0.079 -17.053
2 HB2 ARG 49 HG2 ARG 49 68.745 1.939 -16.672
3 HB3 ARG 49 HG3 ARG 49 67.826 2.733 -17.951
4 HG2 ARG 49 HD2 ARG 49 67.551 -0.212 -17.306
5 HG3 ARG 49 HD3 ARG 49 66.520 1.029 -16.598
6 HD2 ARG 49 HD3 ARG 49 65.880 1.756 -18.918
7 HE ARG 49 HH12 ARG 49 64.229 0.232 -18.160
8 HH11 ARG 49 HH21 ARG 49 67.198 -1.482 -18.871
9 HH12 ARG 49 HH22 ARG 49 66.471 -3.034 -18.642
10 HD3 ARG 49 HXT ARG 49 66.791 0.373 -19.552
11 HH21 ARG 49 HXT ARG 49 63.335 -1.797 -17.874
12 HH22 ARG 49 H1 ARG 49 64.310 -3.213 -18.084
13 HA ARG 49 HB1 ARG 49 68.732 1.000 -19.552
No H/Q in entry = 13
Start of MODEL 14
1 H ASP 50 H ASP 50 71.835 1.150 -18.735
2 HA ASP 50 HB1 ASP 50 72.512 3.838 -18.126
3 HB3 ASP 50 HG3 ASP 50 74.030 1.912 -17.923
4 HB2 ASP 50 HG2 ASP 50 74.764 3.162 -18.917
No H/Q in entry = 4
Start of MODEL 14
1 H THR 51 H THR 51 73.752 5.333 -19.601
2 HG1 THR 51 HG21 THR 51 72.172 7.741 -20.457
3 HG21 THR 51 HG22 THR 51 72.727 7.988 -22.930
4 HG22 THR 51 HG23 THR 51 73.808 9.139 -22.144
5 HG23 THR 51 HXT THR 51 74.467 7.893 -23.206
6 HA THR 51 HB1 THR 51 72.328 5.873 -22.101
7 HB THR 51 HG12 THR 51 74.879 7.098 -21.008
No H/Q in entry = 7
Start of MODEL 14
1 H GLN 52 H GLN 52 73.577 6.132 -24.178
2 HB2 GLN 52 HG2 GLN 52 75.114 4.627 -27.041
3 HB3 GLN 52 HG3 GLN 52 73.506 4.619 -26.323
4 HE21 GLN 52 HE22 GLN 52 72.966 8.345 -27.789
5 HE22 GLN 52 HXT GLN 52 73.366 7.978 -29.397
6 HA GLN 52 HB1 GLN 52 75.126 3.714 -24.722
7 HG3 GLN 52 HD3 GLN 52 75.256 7.072 -26.151
8 HG2 GLN 52 HD2 GLN 52 73.503 6.958 -26.013
No H/Q in entry = 8
Start of MODEL 14
1 H PHE 53 H PHE 53 76.084 6.648 -23.373
2 HD1 PHE 53 HD2 PHE 53 77.035 7.888 -25.689
3 HD2 PHE 53 HE1 PHE 53 79.881 10.217 -23.415
4 HE1 PHE 53 HE2 PHE 53 77.409 9.362 -27.667
5 HE2 PHE 53 HZ PHE 53 80.255 11.690 -25.394
6 HZ PHE 53 HXT PHE 53 79.020 11.263 -27.521
7 HA PHE 53 HB1 PHE 53 78.868 6.379 -24.387
8 HB3 PHE 53 HG3 PHE 53 78.976 8.268 -22.481
9 HB2 PHE 53 HG2 PHE 53 77.250 8.310 -22.782
No H/Q in entry = 9
Start of MODEL 14
1 H GLN 54 H GLN 54 80.576 5.749 -22.945
2 HB2 GLN 54 HG2 GLN 54 82.322 3.539 -20.762
3 HB3 GLN 54 HG3 GLN 54 81.968 3.734 -22.476
4 HE21 GLN 54 HE22 GLN 54 84.611 6.717 -22.863
5 HE22 GLN 54 HXT GLN 54 85.940 5.708 -22.548
6 HA GLN 54 HB1 GLN 54 79.880 3.597 -21.163
7 HG3 GLN 54 HD3 GLN 54 82.615 6.035 -20.605
8 HG2 GLN 54 HD2 GLN 54 82.431 6.121 -22.356
No H/Q in entry = 8
Start of MODEL 14
1 H ILE 55 H ILE 55 79.758 3.517 -18.921
2 HB ILE 55 HG12 ILE 55 78.319 3.677 -16.863
3 HG12 ILE 55 HG13 ILE 55 77.471 6.455 -17.744
4 HG13 ILE 55 HG21 ILE 55 77.684 5.115 -18.871
5 HG21 ILE 55 HG22 ILE 55 79.070 4.981 -14.850
6 HG22 ILE 55 HG23 ILE 55 78.327 6.416 -15.554
7 HD11 ILE 55 HD12 ILE 55 76.072 3.792 -17.399
8 HD12 ILE 55 HD13 ILE 55 75.712 5.315 -16.586
9 HG23 ILE 55 HXT ILE 55 77.326 5.034 -15.107
10 HD13 ILE 55 HXT ILE 55 75.361 5.129 -18.304
11 HA ILE 55 HB1 ILE 55 80.065 6.110 -17.435
No H/Q in entry = 11
Start of MODEL 14
1 H ALA 56 H ALA 56 81.492 6.110 -15.714
2 HA ALA 56 HB1 ALA 56 83.385 3.948 -15.413
3 HB1 ALA 56 HB2 ALA 56 83.670 6.464 -15.022
4 HB2 ALA 56 HB3 ALA 56 84.383 5.413 -13.798
5 HB3 ALA 56 HXT ALA 56 82.846 6.217 -13.482
No H/Q in entry = 5
Start of MODEL 14
1 HB2 PRO 57 HG2 PRO 57 82.892 -0.160 -11.687
2 HB3 PRO 57 HG3 PRO 57 82.036 -0.353 -13.229
3 HG2 PRO 57 HD2 PRO 57 84.729 0.777 -12.689
4 HG3 PRO 57 HD3 PRO 57 84.167 -0.209 -14.047
5 HD2 PRO 57 HD3 PRO 57 84.543 2.483 -14.199
6 HD3 PRO 57 HXT PRO 57 83.372 1.598 -15.200
7 HA PRO 57 HB1 PRO 57 80.910 1.545 -12.557
No H/Q in entry = 7
Start of MODEL 14
1 H GLN 58 H GLN 58 80.538 1.661 -10.319
2 HB2 GLN 58 HG2 GLN 58 79.536 2.440 -8.391
3 HB3 GLN 58 HG3 GLN 58 80.382 3.455 -7.222
4 HE21 GLN 58 HE22 GLN 58 79.148 6.872 -8.922
5 HE22 GLN 58 HXT GLN 58 77.560 6.635 -8.371
6 HA GLN 58 HB1 GLN 58 82.400 3.377 -8.748
7 HG3 GLN 58 HD3 GLN 58 79.931 4.155 -10.140
8 HG2 GLN 58 HD2 GLN 58 80.736 5.173 -8.944
No H/Q in entry = 8
Start of MODEL 14
1 H SER 59 H SER 59 83.944 2.157 -7.704
2 HG SER 59 HXT SER 59 85.137 -1.867 -6.798
3 HA SER 59 HB1 SER 59 83.222 -0.521 -6.613
4 HB3 SER 59 HG3 SER 59 85.911 0.867 -6.711
5 HB2 SER 59 HG2 SER 59 85.252 -0.014 -8.085
No H/Q in entry = 5
Start of MODEL 14
1 H GLN 60 H GLN 60 84.287 2.704 -5.615
2 HB2 GLN 60 HG2 GLN 60 83.857 4.606 -4.275
3 HB3 GLN 60 HG3 GLN 60 84.520 4.613 -2.640
4 HE21 GLN 60 HE22 GLN 60 88.228 5.487 -3.846
5 HE22 GLN 60 HXT GLN 60 87.784 7.074 -4.248
6 HA GLN 60 HB1 GLN 60 84.960 2.142 -2.889
7 HG3 GLN 60 HD3 GLN 60 86.021 3.752 -5.132
8 HG2 GLN 60 HD2 GLN 60 86.677 3.797 -3.494
No H/Q in entry = 8
Start of MODEL 14
1 H ILE 61 H ILE 61 83.697 2.267 -0.980
2 HB ILE 61 HG12 ILE 61 82.604 1.558 1.068
3 HG12 ILE 61 HG13 ILE 61 83.266 0.013 -0.733
4 HG13 ILE 61 HG21 ILE 61 82.517 -0.877 0.588
5 HG21 ILE 61 HG22 ILE 61 79.723 0.833 0.551
6 HG22 ILE 61 HG23 ILE 61 80.672 -0.021 1.768
7 HD11 ILE 61 HD12 ILE 61 80.359 -0.861 -0.669
8 HD12 ILE 61 HD13 ILE 61 81.177 -0.060 -2.011
9 HG23 ILE 61 HXT ILE 61 80.410 1.717 1.914
10 HD13 ILE 61 HXT ILE 61 81.643 -1.696 -1.545
11 HA ILE 61 HB1 ILE 61 80.774 1.834 -1.345
No H/Q in entry = 11
Start of MODEL 14
1 H TYR 62 H TYR 62 79.237 3.220 -0.382
2 HD1 TYR 62 HD2 TYR 62 79.427 4.204 -2.371
3 HD2 TYR 62 HE1 TYR 62 77.745 8.046 -1.323
4 HE1 TYR 62 HE2 TYR 62 79.956 5.058 -4.655
5 HE2 TYR 62 HH TYR 62 78.273 8.900 -3.607
6 HH TYR 62 HXT TYR 62 78.642 7.461 -6.076
7 HA TYR 62 HB1 TYR 62 80.230 5.916 0.380
8 HB3 TYR 62 HG3 TYR 62 77.679 6.313 0.228
9 HB2 TYR 62 HG2 TYR 62 77.598 4.681 -0.409
No H/Q in entry = 9
Start of MODEL 14
1 H ASP 63 H ASP 63 80.624 6.163 2.549
2 HA ASP 63 HB1 ASP 63 79.742 4.670 4.746
3 HB3 ASP 63 HG3 ASP 63 80.128 6.864 5.982
4 HB2 ASP 63 HG2 ASP 63 80.351 7.613 4.401
No H/Q in entry = 4
Start of MODEL 14
1 H TYR 64 H TYR 64 78.072 7.420 3.190
2 HD1 TYR 64 HD2 TYR 64 74.186 9.848 4.065
3 HD2 TYR 64 HE1 TYR 64 75.543 8.268 7.856
4 HE1 TYR 64 HE2 TYR 64 72.066 10.594 5.134
5 HE2 TYR 64 HH TYR 64 73.419 9.021 8.922
6 HH TYR 64 HXT TYR 64 71.649 10.866 8.413
7 HA TYR 64 HB1 TYR 64 75.526 6.685 4.525
8 HB3 TYR 64 HG3 TYR 64 76.799 9.417 4.805
9 HB2 TYR 64 HG2 TYR 64 76.955 8.165 6.020
No H/Q in entry = 9
Start of MODEL 14
1 H ILE 65 H ILE 65 73.930 6.953 3.015
2 HB ILE 65 HG12 ILE 65 73.064 6.487 0.596
3 HG12 ILE 65 HG13 ILE 65 75.487 7.935 -0.539
4 HG13 ILE 65 HG21 ILE 65 75.554 6.656 0.673
5 HG21 ILE 65 HG22 ILE 65 73.223 8.967 -1.152
6 HG22 ILE 65 HG23 ILE 65 72.894 7.351 -1.777
7 HD11 ILE 65 HD12 ILE 65 74.115 5.343 -1.151
8 HD12 ILE 65 HD13 ILE 65 74.914 6.474 -2.244
9 HG23 ILE 65 HXT ILE 65 71.764 8.110 -0.654
10 HD13 ILE 65 HXT ILE 65 75.875 5.392 -1.240
11 HA ILE 65 HB1 ILE 65 74.158 9.278 1.124
No H/Q in entry = 11
Start of MODEL 14
1 H LEU 66 H LEU 66 72.489 10.680 1.391
2 HD11 LEU 66 HD12 LEU 66 69.924 11.725 4.966
3 HD12 LEU 66 HD13 LEU 66 68.306 12.426 4.978
4 HD13 LEU 66 HD21 LEU 66 68.568 10.826 4.284
5 HD21 LEU 66 HD22 LEU 66 69.739 14.399 2.307
6 HD22 LEU 66 HD23 LEU 66 68.321 14.351 3.355
7 HG LEU 66 HXT LEU 66 68.466 12.176 2.374
8 HD23 LEU 66 HXT LEU 66 69.936 14.221 4.051
9 HA LEU 66 HB1 LEU 66 70.068 9.886 2.902
10 HB3 LEU 66 HG3 LEU 66 70.877 12.530 1.646
11 HB2 LEU 66 HG2 LEU 66 71.356 12.019 3.266
No H/Q in entry = 11
Start of MODEL 14
1 H PHE 67 H PHE 67 68.043 9.637 1.942
2 HD1 PHE 67 HD2 PHE 67 68.220 9.141 -2.780
3 HD2 PHE 67 HE1 PHE 67 69.299 6.050 0.043
4 HE1 PHE 67 HE2 PHE 67 70.044 8.385 -4.299
5 HE2 PHE 67 HZ PHE 67 71.134 5.303 -1.474
6 HZ PHE 67 HXT PHE 67 71.507 6.472 -3.648
7 HA PHE 67 HB1 PHE 67 67.813 10.113 -1.004
8 HB3 PHE 67 HG3 PHE 67 66.574 7.759 -0.775
9 HB2 PHE 67 HG2 PHE 67 67.644 7.599 0.603
No H/Q in entry = 9
Start of MODEL 14
1 H ARG 68 H ARG 68 65.891 11.102 -1.478
2 HB2 ARG 68 HG2 ARG 68 64.175 12.456 -2.189
3 HB3 ARG 68 HG3 ARG 68 62.753 12.768 -1.195
4 HG2 ARG 68 HD2 ARG 68 64.249 13.535 0.646
5 HG3 ARG 68 HD3 ARG 68 65.634 13.312 -0.423
6 HD2 ARG 68 HD3 ARG 68 64.539 14.913 -2.050
7 HE ARG 68 HH12 ARG 68 65.722 15.551 0.552
8 HH11 ARG 68 HH21 ARG 68 64.429 16.907 -2.406
9 HH12 ARG 68 HH22 ARG 68 65.337 18.369 -2.247
10 HD3 ARG 68 HXT ARG 68 63.329 15.253 -0.798
11 HH21 ARG 68 HXT ARG 68 66.874 17.458 0.713
12 HH22 ARG 68 H1 ARG 68 66.705 18.680 -0.503
13 HA ARG 68 HB1 ARG 68 63.714 11.195 0.531
No H/Q in entry = 13
Start of MODEL 14
1 H GLY 69 H GLY 69 61.583 10.389 0.082
2 HA2 GLY 69 HA3 GLY 69 59.985 8.931 -0.827
3 HA3 GLY 69 HXT GLY 69 61.346 7.955 -1.374
No H/Q in entry = 3
Start of MODEL 14
1 H SER 70 H SER 70 61.123 11.267 -2.461
2 HG SER 70 HXT SER 70 60.897 13.701 -6.061
3 HA SER 70 HB1 SER 70 59.435 10.880 -4.761
4 HB3 SER 70 HG3 SER 70 61.644 12.904 -4.276
5 HB2 SER 70 HG2 SER 70 60.008 13.043 -3.639
No H/Q in entry = 5
Start of MODEL 14
1 H ASP 71 H ASP 71 62.991 10.751 -4.356
2 HA ASP 71 HB1 ASP 71 63.407 10.399 -7.246
3 HB3 ASP 71 HG3 ASP 71 64.966 11.706 -5.872
4 HB2 ASP 71 HG2 ASP 71 65.796 10.320 -6.571
No H/Q in entry = 4
Start of MODEL 14
1 H ILE 72 H ILE 72 63.431 8.331 -4.354
2 HB ILE 72 HG12 ILE 72 64.272 6.607 -3.181
3 HG12 ILE 72 HG13 ILE 72 66.189 5.226 -5.053
4 HG13 ILE 72 HG21 ILE 72 66.005 6.979 -5.085
5 HG21 ILE 72 HG22 ILE 72 63.179 4.367 -3.293
6 HG22 ILE 72 HG23 ILE 72 64.441 3.829 -4.403
7 HD11 ILE 72 HD12 ILE 72 66.702 5.349 -2.632
8 HD12 ILE 72 HD13 ILE 72 67.854 6.270 -3.598
9 HG23 ILE 72 HXT ILE 72 64.850 4.258 -2.743
10 HD13 ILE 72 HXT ILE 72 66.578 7.104 -2.709
11 HA ILE 72 HB1 ILE 72 63.962 5.967 -6.110
No H/Q in entry = 11
Start of MODEL 14
1 H LYS 73 H LYS 73 62.421 4.345 -6.329
2 HB2 LYS 73 HG2 LYS 73 60.494 5.325 -7.968
3 HB3 LYS 73 HG3 LYS 73 60.580 3.564 -7.907
4 HG2 LYS 73 HG3 LYS 73 58.166 3.489 -7.312
5 HG3 LYS 73 HD2 LYS 73 58.095 5.246 -7.459
6 HD2 LYS 73 HD3 LYS 73 58.890 5.023 -9.828
7 HE2 LYS 73 HE3 LYS 73 56.347 3.519 -9.096
8 HE3 LYS 73 HZ1 LYS 73 56.489 5.264 -9.396
9 HZ1 LYS 73 HZ2 LYS 73 57.190 3.119 -11.333
10 HZ2 LYS 73 HZ3 LYS 73 55.791 4.080 -11.400
11 HD3 LYS 73 HXT LYS 73 58.770 3.272 -9.659
12 HZ3 LYS 73 HXT LYS 73 57.317 4.790 -11.611
13 HA LYS 73 HB1 LYS 73 59.679 5.277 -5.578
No H/Q in entry = 13
Start of MODEL 14
1 H ASP 74 H ASP 74 61.881 2.621 -5.082
2 HA ASP 74 HB1 ASP 74 59.625 1.057 -3.920
3 HB3 ASP 74 HG3 ASP 74 61.593 -0.117 -5.907
4 HB2 ASP 74 HG2 ASP 74 59.982 0.445 -6.354
No H/Q in entry = 4
Start of MODEL 14
1 H ILE 75 H ILE 75 60.206 0.220 -2.001
2 HB ILE 75 HG12 ILE 75 62.442 1.732 -0.496
3 HG12 ILE 75 HG13 ILE 75 62.591 -0.279 1.748
4 HG13 ILE 75 HG21 ILE 75 63.962 -0.016 0.670
5 HG21 ILE 75 HG22 ILE 75 60.350 0.093 0.967
6 HG22 ILE 75 HG23 ILE 75 60.742 1.778 1.310
7 HD11 ILE 75 HD12 ILE 75 63.545 2.521 1.208
8 HD12 ILE 75 HD13 ILE 75 62.695 1.889 2.617
9 HG23 ILE 75 HXT ILE 75 60.033 1.337 -0.243
10 HD13 ILE 75 HXT ILE 75 64.402 1.518 2.377
11 HA ILE 75 HB1 ILE 75 63.086 -0.442 -1.504
No H/Q in entry = 11
Start of MODEL 14
1 H ARG 76 H ARG 76 63.389 -2.395 -0.398
2 HB2 ARG 76 HG2 ARG 76 62.761 -4.801 -1.416
3 HB3 ARG 76 HG3 ARG 76 61.657 -5.808 -0.479
4 HG2 ARG 76 HD2 ARG 76 59.800 -4.217 -1.113
5 HG3 ARG 76 HD3 ARG 76 60.935 -3.427 -2.206
6 HD2 ARG 76 HD3 ARG 76 60.252 -6.385 -2.321
7 HE ARG 76 HH12 ARG 76 62.252 -4.696 -3.629
8 HH11 ARG 76 HH21 ARG 76 60.226 -7.526 -4.002
9 HH12 ARG 76 HH22 ARG 76 61.273 -8.241 -5.177
10 HD3 ARG 76 HXT ARG 76 59.537 -5.149 -3.374
11 HH21 ARG 76 HXT ARG 76 63.573 -5.658 -5.152
12 HH22 ARG 76 H1 ARG 76 63.146 -7.198 -5.822
13 HA ARG 76 HB1 ARG 76 61.042 -3.740 0.849
No H/Q in entry = 13
Start of MODEL 14
1 H VAL 77 H VAL 77 61.653 -4.814 2.692
2 HB VAL 77 HG12 VAL 77 61.975 -5.751 4.897
3 HG11 VAL 77 HG12 VAL 77 64.775 -5.162 5.910
4 HG12 VAL 77 HG13 VAL 77 63.376 -5.464 6.942
5 HG13 VAL 77 HG21 VAL 77 63.982 -6.738 5.883
6 HG21 VAL 77 HG22 VAL 77 62.008 -3.327 4.257
7 HG22 VAL 77 HG23 VAL 77 62.043 -3.575 6.003
8 HG23 VAL 77 HXT VAL 77 63.522 -3.149 5.144
9 HA VAL 77 HB1 VAL 77 64.506 -4.851 3.464
No H/Q in entry = 9
Start of MODEL 14
1 H VAL 78 H VAL 78 65.716 -6.771 3.780
2 HB VAL 78 HG12 VAL 78 67.404 -8.482 3.514
3 HG11 VAL 78 HG12 VAL 78 66.362 -10.767 1.835
4 HG12 VAL 78 HG13 VAL 78 68.061 -10.296 1.800
5 HG13 VAL 78 HG21 VAL 78 67.329 -10.845 3.307
6 HG21 VAL 78 HG22 VAL 78 66.608 -6.982 1.681
7 HG22 VAL 78 HG23 VAL 78 67.980 -7.975 1.188
8 HG23 VAL 78 HXT VAL 78 66.350 -8.402 0.667
9 HA VAL 78 HB1 VAL 78 64.655 -9.192 2.420
No H/Q in entry = 9
Start of MODEL 14
1 H ASN 79 H ASN 79 63.890 -10.897 3.598
2 HD21 ASN 79 HD22 ASN 79 64.715 -10.172 7.980
3 HD22 ASN 79 HXT ASN 79 64.427 -8.503 8.088
4 HA ASN 79 HB1 ASN 79 64.934 -11.423 6.330
5 HB3 ASN 79 HG3 ASN 79 62.520 -11.519 7.123
6 HB2 ASN 79 HG2 ASN 79 62.066 -10.778 5.587
No H/Q in entry = 6
Start of MODEL 14
1 H ASN 80 H ASN 80 63.495 -13.465 7.156
2 HD21 ASN 80 HD22 ASN 80 64.912 -15.781 9.414
3 HD22 ASN 80 HXT ASN 80 66.507 -15.752 8.833
4 HA ASN 80 HB1 ASN 80 63.846 -15.557 5.101
5 HB3 ASN 80 HG3 ASN 80 63.300 -17.020 7.084
6 HB2 ASN 80 HG2 ASN 80 63.064 -15.553 8.035
No H/Q in entry = 6
Start of MODEL 14
1 H HIS 81 H HIS 81 62.016 -17.285 5.050
2 HD1 HIS 81 HD2 HIS 81 59.175 -15.628 1.843
3 HD2 HIS 81 HE1 HIS 81 62.563 -18.049 2.040
4 HE1 HIS 81 HE2 HIS 81 60.682 -14.908 -0.060
5 HA HIS 81 HB1 HIS 81 59.446 -15.871 4.535
6 HB3 HIS 81 HG3 HIS 81 58.971 -17.982 3.287
7 HB2 HIS 81 HG2 HIS 81 60.528 -18.602 3.804
No H/Q in entry = 7
Start of MODEL 14
1 H THR 82 H THR 82 57.679 -16.225 5.828
2 HG1 THR 82 HG21 THR 82 57.291 -16.973 10.547
3 HG21 THR 82 HG22 THR 82 57.508 -14.909 7.468
4 HG22 THR 82 HG23 THR 82 55.948 -15.310 8.185
5 HG23 THR 82 HXT THR 82 57.240 -14.659 9.193
6 HA THR 82 HB1 THR 82 57.645 -18.618 7.620
7 HB THR 82 HG12 THR 82 58.569 -16.686 8.847
No H/Q in entry = 7
Start of MODEL 14
1 H LEU 83 H LEU 83 55.415 -18.986 8.527
2 HD11 LEU 83 HD12 LEU 83 52.753 -22.369 6.621
3 HD12 LEU 83 HD13 LEU 83 51.604 -22.351 7.957
4 HD13 LEU 83 HD21 LEU 83 51.025 -22.225 6.296
5 HD21 LEU 83 HD22 LEU 83 50.888 -19.956 8.867
6 HD22 LEU 83 HD23 LEU 83 50.590 -18.832 7.541
7 HG LEU 83 HXT LEU 83 51.962 -20.024 6.053
8 HD23 LEU 83 HXT LEU 83 49.839 -20.428 7.529
9 HA LEU 83 HB1 LEU 83 53.352 -18.362 6.475
10 HB3 LEU 83 HG3 LEU 83 53.066 -20.186 8.857
11 HB2 LEU 83 HG2 LEU 83 54.027 -20.682 7.463
No H/Q in entry = 11
Start of MODEL 14
1 HB2 PRO 84 HG2 PRO 84 50.055 -14.157 7.931
2 HB3 PRO 84 HG3 PRO 84 51.769 -13.699 7.921
3 HG2 PRO 84 HD2 PRO 84 50.268 -15.456 6.055
4 HG3 PRO 84 HD3 PRO 84 51.573 -14.306 5.725
5 HD2 PRO 84 HD3 PRO 84 51.944 -16.998 5.832
6 HD3 PRO 84 HXT PRO 84 53.213 -15.820 6.231
7 HA PRO 84 HB1 PRO 84 51.963 -15.306 9.561
No H/Q in entry = 7
Start of MODEL 15
1 H1 GLY -3 H1 GLY -3 62.076 -17.946 29.434
2 H2 GLY -3 H2 GLY -3 61.205 -16.580 28.923
3 H3 GLY -3 H3 GLY -3 61.713 -16.707 30.537
4 HA2 GLY -3 HA3 GLY -3 59.344 -17.185 30.315
5 HA3 GLY -3 HXT GLY -3 60.252 -18.578 30.903
No H/Q in entry = 5
Start of MODEL 15
1 H ALA -2 H ALA -2 57.911 -17.698 28.753
2 HA ALA -2 HB1 ALA -2 57.874 -20.242 27.390
3 HB1 ALA -2 HB2 ALA -2 55.925 -19.334 26.328
4 HB2 ALA -2 HB3 ALA -2 55.959 -18.635 27.947
5 HB3 ALA -2 HXT ALA -2 56.488 -17.679 26.562
No H/Q in entry = 5
Start of MODEL 15
1 H MET -1 H MET -1 59.088 -17.031 26.512
2 HB2 MET -1 HG2 MET -1 59.135 -15.422 24.666
3 HB3 MET -1 HG3 MET -1 59.945 -15.800 23.145
4 HE1 MET -1 HE2 MET -1 55.212 -16.620 22.977
5 HE2 MET -1 HE3 MET -1 55.001 -15.643 21.526
6 HE3 MET -1 HXT MET -1 55.916 -17.147 21.442
7 HA MET -1 HB1 MET -1 60.163 -18.187 23.955
8 HG3 MET -1 HD3 MET -1 57.379 -17.046 24.173
9 HG2 MET -1 HD2 MET -1 58.217 -17.546 22.704
No H/Q in entry = 9
Start of MODEL 15
1 H ALA 0 H ALA 0 62.321 -17.609 23.425
2 HA ALA 0 HB1 ALA 0 63.904 -16.377 25.658
3 HB1 ALA 0 HB2 ALA 0 65.594 -17.916 25.115
4 HB2 ALA 0 HB3 ALA 0 65.001 -18.128 23.467
5 HB3 ALA 0 HXT ALA 0 64.129 -18.853 24.819
No H/Q in entry = 5
Start of MODEL 15
1 H MET 1 H MET 1 62.547 -14.883 23.472
2 HB2 MET 1 HG2 MET 1 61.812 -13.420 21.852
3 HB3 MET 1 HG3 MET 1 62.892 -12.723 20.644
4 HE1 MET 1 HE2 MET 1 62.413 -13.417 18.180
5 HE2 MET 1 HE3 MET 1 63.847 -12.576 18.762
6 HE3 MET 1 HXT MET 1 63.936 -13.536 17.287
7 HA MET 1 HB1 MET 1 64.784 -14.020 21.711
8 HG3 MET 1 HD3 MET 1 61.644 -14.812 19.902
9 HG2 MET 1 HD2 MET 1 62.612 -15.707 21.072
No H/Q in entry = 9
Start of MODEL 15
1 H SER 2 H SER 2 65.816 -12.065 21.991
2 HG SER 2 HXT SER 2 67.554 -9.090 21.317
3 HA SER 2 HB1 SER 2 65.551 -10.592 24.460
4 HB3 SER 2 HG3 SER 2 67.606 -10.851 23.041
5 HB2 SER 2 HG2 SER 2 67.258 -9.173 23.447
No H/Q in entry = 5
Start of MODEL 15
1 H GLY 3 H GLY 3 64.235 -10.133 21.208
2 HA2 GLY 3 HA3 GLY 3 63.435 -7.626 20.850
3 HA3 GLY 3 HXT GLY 3 62.464 -8.002 22.275
No H/Q in entry = 3
Start of MODEL 15
1 H GLY 4 H GLY 4 60.800 -7.432 20.438
2 HA2 GLY 4 HA3 GLY 4 58.836 -8.739 19.702
3 HA3 GLY 4 HXT GLY 4 59.944 -10.014 19.193
No H/Q in entry = 3
Start of MODEL 15
1 H LEU 5 H LEU 5 60.208 -6.507 18.634
2 HD11 LEU 5 HD12 LEU 5 58.745 -2.519 17.413
3 HD12 LEU 5 HD13 LEU 5 57.375 -3.161 18.321
4 HD13 LEU 5 HD21 LEU 5 59.018 -3.398 18.917
5 HD21 LEU 5 HD22 LEU 5 57.818 -5.373 15.347
6 HD22 LEU 5 HD23 LEU 5 56.542 -4.696 16.360
7 HG LEU 5 HXT LEU 5 58.204 -5.467 17.887
8 HD23 LEU 5 HXT LEU 5 57.683 -3.627 15.544
9 HA LEU 5 HB1 LEU 5 59.390 -6.707 15.827
10 HB3 LEU 5 HG3 LEU 5 60.106 -4.278 15.881
11 HB2 LEU 5 HG2 LEU 5 60.620 -4.532 17.548
No H/Q in entry = 11
Start of MODEL 15
1 HB2 PRO 6 HG2 PRO 6 62.953 -5.392 12.000
2 HB3 PRO 6 HG3 PRO 6 63.007 -7.146 11.758
3 HG2 PRO 6 HD2 PRO 6 60.746 -5.695 11.512
4 HG3 PRO 6 HD3 PRO 6 60.763 -7.388 12.027
5 HD2 PRO 6 HD3 PRO 6 60.378 -4.924 13.649
6 HD3 PRO 6 HXT PRO 6 59.659 -6.538 13.842
7 HA PRO 6 HB1 PRO 6 63.316 -7.539 13.989
No H/Q in entry = 7
Start of MODEL 15
1 H GLU 7 H GLU 7 65.342 -6.878 14.597
2 HB2 GLU 7 HG2 GLU 7 67.660 -6.457 14.662
3 HB3 GLU 7 HG3 GLU 7 68.231 -5.175 15.730
4 HA GLU 7 HB1 GLU 7 65.845 -4.397 15.954
5 HG3 GLU 7 HD3 GLU 7 66.243 -7.350 16.449
6 HG2 GLU 7 HD2 GLU 7 66.713 -6.023 17.513
No H/Q in entry = 6
Start of MODEL 15
1 H LEU 8 H LEU 8 66.744 -2.462 15.210
2 HD11 LEU 8 HD12 LEU 8 66.905 1.887 15.020
3 HD12 LEU 8 HD13 LEU 8 65.224 1.719 15.523
4 HD13 LEU 8 HD21 LEU 8 66.492 0.849 16.384
5 HD21 LEU 8 HD22 LEU 8 65.708 1.044 12.602
6 HD22 LEU 8 HD23 LEU 8 64.771 -0.441 12.768
7 HG LEU 8 HXT LEU 8 65.533 -0.800 14.991
8 HD23 LEU 8 HXT LEU 8 64.284 1.010 13.642
9 HA LEU 8 HB1 LEU 8 66.495 -1.688 12.459
10 HB3 LEU 8 HG3 LEU 8 67.761 0.324 13.274
11 HB2 LEU 8 HG2 LEU 8 68.053 -0.529 14.790
No H/Q in entry = 11
Start of MODEL 15
1 H GLY 9 H GLY 9 68.531 -0.677 11.298
2 HA2 GLY 9 HA3 GLY 9 71.087 -2.018 11.720
3 HA3 GLY 9 HXT GLY 9 70.689 -0.910 10.426
No H/Q in entry = 3
Start of MODEL 15
1 H SER 10 H SER 10 68.263 -3.163 10.312
2 HG SER 10 HXT SER 10 66.808 -6.249 10.359
3 HA SER 10 HB1 SER 10 69.448 -5.505 9.203
4 HB3 SER 10 HG3 SER 10 67.173 -5.889 8.328
5 HB2 SER 10 HG2 SER 10 66.775 -4.196 8.605
No H/Q in entry = 5
Start of MODEL 15
1 H LYS 11 H LYS 11 69.492 -6.163 6.908
2 HB2 LYS 11 HG2 LYS 11 71.111 -5.917 3.718
3 HB3 LYS 11 HG3 LYS 11 71.514 -6.337 5.380
4 HG2 LYS 11 HG3 LYS 11 69.269 -7.512 5.526
5 HG3 LYS 11 HD2 LYS 11 69.098 -7.246 3.793
6 HD2 LYS 11 HD3 LYS 11 70.029 -9.432 4.022
7 HE2 LYS 11 HE3 LYS 11 72.162 -8.229 5.828
8 HE3 LYS 11 HZ1 LYS 11 70.753 -9.139 6.412
9 HZ1 LYS 11 HZ2 LYS 11 71.402 -10.986 4.991
10 HZ2 LYS 11 HZ3 LYS 11 72.764 -10.123 4.453
11 HD3 LYS 11 HXT LYS 11 71.365 -8.390 3.529
12 HZ3 LYS 11 HXT LYS 11 72.649 -10.609 6.077
13 HA LYS 11 HB1 LYS 11 70.546 -4.041 5.180
No H/Q in entry = 13
Start of MODEL 15
1 H ILE 12 H ILE 12 69.352 -2.897 3.733
2 HB ILE 12 HG12 ILE 12 67.575 -1.142 3.335
3 HG12 ILE 12 HG13 ILE 12 65.544 -2.825 4.836
4 HG13 ILE 12 HG21 ILE 12 67.210 -2.607 5.374
5 HG21 ILE 12 HG22 ILE 12 65.895 -1.424 1.499
6 HG22 ILE 12 HG23 ILE 12 64.838 -2.259 2.638
7 HD11 ILE 12 HD12 ILE 12 66.856 -0.149 5.411
8 HD12 ILE 12 HD13 ILE 12 65.174 -0.401 4.942
9 HG23 ILE 12 HXT ILE 12 65.243 -0.561 2.892
10 HD13 ILE 12 HXT ILE 12 65.753 -0.990 6.500
11 HA ILE 12 HB1 ILE 12 66.710 -4.016 2.843
No H/Q in entry = 11
Start of MODEL 15
1 H SER 13 H SER 13 66.267 -3.905 0.645
2 HG SER 13 HXT SER 13 66.811 -4.946 -3.625
3 HA SER 13 HB1 SER 13 68.447 -2.969 -1.165
4 HB3 SER 13 HG3 SER 13 65.973 -4.663 -1.665
5 HB2 SER 13 HG2 SER 13 67.567 -5.312 -1.290
No H/Q in entry = 5
Start of MODEL 15
1 H LEU 14 H LEU 14 68.020 -1.315 -2.656
2 HD11 LEU 14 HD12 LEU 14 65.380 1.398 0.080
3 HD12 LEU 14 HD13 LEU 14 64.520 2.867 -0.381
4 HD13 LEU 14 HD21 LEU 14 64.316 1.394 -1.327
5 HD21 LEU 14 HD22 LEU 14 67.896 3.688 -1.480
6 HD22 LEU 14 HD23 LEU 14 66.382 4.414 -0.944
7 HG LEU 14 HXT LEU 14 65.824 2.742 -2.591
8 HD23 LEU 14 HXT LEU 14 67.194 3.221 0.068
9 HA LEU 14 HB1 LEU 14 65.371 0.062 -2.426
10 HB3 LEU 14 HG3 LEU 14 68.007 1.523 -2.386
11 HB2 LEU 14 HG2 LEU 14 67.406 0.779 -0.905
No H/Q in entry = 11
Start of MODEL 15
1 H ILE 15 H ILE 15 64.604 0.511 -4.458
2 HB ILE 15 HG12 ILE 15 63.484 0.148 -6.585
3 HG12 ILE 15 HG13 ILE 15 65.547 -2.004 -7.141
4 HG13 ILE 15 HG21 ILE 15 64.903 -1.693 -5.529
5 HG21 ILE 15 HG22 ILE 15 64.366 0.994 -8.782
6 HG22 ILE 15 HG23 ILE 15 65.347 -0.467 -8.900
7 HD11 ILE 15 HD12 ILE 15 62.573 -1.934 -6.620
8 HD12 ILE 15 HD13 ILE 15 63.431 -2.664 -7.977
9 HG23 ILE 15 HXT ILE 15 63.588 -0.585 -8.901
10 HD13 ILE 15 HXT ILE 15 63.513 -3.407 -6.380
11 HA ILE 15 HB1 ILE 15 66.512 0.419 -6.761
No H/Q in entry = 11
Start of MODEL 15
1 H SER 16 H SER 16 67.060 2.371 -7.610
2 HG SER 16 HXT SER 16 68.243 5.465 -5.781
3 HA SER 16 HB1 SER 16 65.520 4.797 -6.875
4 HB3 SER 16 HG3 SER 16 67.577 5.912 -7.712
5 HB2 SER 16 HG2 SER 16 68.202 4.340 -8.204
No H/Q in entry = 5
Start of MODEL 15
1 H LYS 17 H LYS 17 65.101 6.449 -8.533
2 HB2 LYS 17 HG2 LYS 17 63.551 7.795 -9.435
3 HB3 LYS 17 HG3 LYS 17 64.881 8.153 -10.537
4 HG2 LYS 17 HG3 LYS 17 63.376 7.711 -12.465
5 HG3 LYS 17 HD2 LYS 17 62.046 7.430 -11.339
6 HD2 LYS 17 HD3 LYS 17 62.402 9.742 -10.433
7 HE2 LYS 17 HE3 LYS 17 60.834 9.051 -12.431
8 HE3 LYS 17 HZ1 LYS 17 61.139 10.777 -12.152
9 HZ1 LYS 17 HZ2 LYS 17 63.007 10.649 -13.695
10 HZ2 LYS 17 HZ3 LYS 17 62.671 9.013 -13.994
11 HD3 LYS 17 HXT LYS 17 63.598 10.008 -11.702
12 HZ3 LYS 17 HXT LYS 17 61.557 10.208 -14.463
13 HA LYS 17 HB1 LYS 17 63.371 5.532 -10.544
No H/Q in entry = 13
Start of MODEL 15
1 H ALA 18 H ALA 18 66.841 5.710 -10.749
2 HA ALA 18 HB1 ALA 18 66.880 5.867 -13.699
3 HB1 ALA 18 HB2 ALA 18 69.370 5.661 -13.239
4 HB2 ALA 18 HB3 ALA 18 68.595 7.030 -12.442
5 HB3 ALA 18 HXT ALA 18 68.976 5.574 -11.521
No H/Q in entry = 5
Start of MODEL 15
1 H ASP 19 H ASP 19 65.712 3.496 -12.050
2 HA ASP 19 HB1 ASP 19 65.650 1.155 -12.174
3 HB3 ASP 19 HG3 ASP 19 66.431 0.255 -14.380
4 HB2 ASP 19 HG2 ASP 19 67.123 1.830 -14.747
No H/Q in entry = 4
Start of MODEL 15
1 H ILE 20 H ILE 20 67.830 2.424 -10.716
2 HB ILE 20 HG12 ILE 20 69.998 2.994 -9.452
3 HG12 ILE 20 HG13 ILE 20 71.138 2.684 -12.251
4 HG13 ILE 20 HG21 ILE 20 69.599 3.458 -11.898
5 HG21 ILE 20 HG22 ILE 20 72.131 1.056 -10.338
6 HG22 ILE 20 HG23 ILE 20 72.559 2.726 -9.961
7 HD11 ILE 20 HD12 ILE 20 70.974 4.930 -10.247
8 HD12 ILE 20 HD13 ILE 20 72.369 4.378 -11.173
9 HG23 ILE 20 HXT ILE 20 71.822 1.705 -8.727
10 HD13 ILE 20 HXT ILE 20 71.080 5.276 -11.973
11 HA ILE 20 HB1 ILE 20 70.085 0.488 -11.166
No H/Q in entry = 11
Start of MODEL 15
1 H ARG 21 H ARG 21 70.799 -0.800 -9.387
2 HB2 ARG 21 HG2 ARG 21 69.294 -2.947 -8.700
3 HB3 ARG 21 HG3 ARG 21 70.950 -2.971 -8.090
4 HG2 ARG 21 HD2 ARG 21 70.079 -3.304 -5.790
5 HG3 ARG 21 HD3 ARG 21 68.438 -3.340 -6.432
6 HD2 ARG 21 HD3 ARG 21 69.086 -5.291 -7.870
7 HE ARG 21 HH12 ARG 21 68.145 -6.161 -5.876
8 HH11 ARG 21 HH21 ARG 21 71.315 -4.831 -5.216
9 HH12 ARG 21 HH22 ARG 21 71.334 -5.425 -3.593
10 HD3 ARG 21 HXT ARG 21 70.669 -5.303 -7.068
11 HH21 ARG 21 HXT ARG 21 68.215 -6.908 -3.771
12 HH22 ARG 21 H1 ARG 21 69.601 -6.587 -2.781
13 HA ARG 21 HB1 ARG 21 68.836 -1.011 -7.134
No H/Q in entry = 13
Start of MODEL 15
1 H TYR 22 H TYR 22 69.522 -0.053 -5.295
2 HD1 TYR 22 HD2 TYR 22 73.572 2.758 -4.170
3 HD2 TYR 22 HE1 TYR 22 69.711 2.479 -6.098
4 HE1 TYR 22 HE2 TYR 22 74.322 4.384 -5.907
5 HE2 TYR 22 HH TYR 22 70.462 4.107 -7.840
6 HH TYR 22 HXT TYR 22 72.779 6.138 -7.585
7 HA TYR 22 HB1 TYR 22 72.438 -0.066 -4.596
8 HB3 TYR 22 HG3 TYR 22 71.637 1.772 -3.025
9 HB2 TYR 22 HG2 TYR 22 70.077 1.657 -3.810
No H/Q in entry = 9
Start of MODEL 15
1 H GLU 23 H GLU 23 72.976 -0.790 -2.442
2 HB2 GLU 23 HG2 GLU 23 71.719 -3.612 -2.247
3 HB3 GLU 23 HG3 GLU 23 73.269 -3.349 -1.447
4 HA GLU 23 HB1 GLU 23 70.732 -1.834 -0.758
5 HG3 GLU 23 HD3 GLU 23 70.693 -4.260 -0.130
6 HG2 GLU 23 HD2 GLU 23 72.176 -3.872 0.743
No H/Q in entry = 6
Start of MODEL 15
1 H GLY 24 H GLY 24 71.149 -1.579 1.466
2 HA2 GLY 24 HA3 GLY 24 72.855 0.447 2.332
3 HA3 GLY 24 HXT GLY 24 73.816 -1.021 2.491
No H/Q in entry = 3
Start of MODEL 15
1 H ARG 25 H ARG 25 73.643 -0.171 4.827
2 HB2 ARG 25 HG2 ARG 25 73.919 -0.001 7.110
3 HB3 ARG 25 HG3 ARG 25 72.970 -0.990 8.220
4 HG2 ARG 25 HD2 ARG 25 74.326 -2.204 5.813
5 HG3 ARG 25 HD3 ARG 25 75.187 -1.988 7.337
6 HD2 ARG 25 HD3 ARG 25 72.500 -3.382 7.223
7 HE ARG 25 HH12 ARG 25 73.060 -3.093 9.507
8 HH11 ARG 25 HH21 ARG 25 75.914 -3.980 7.687
9 HH12 ARG 25 HH22 ARG 25 76.886 -4.153 9.106
10 HD3 ARG 25 HXT ARG 25 74.026 -4.264 7.015
11 HH21 ARG 25 HXT ARG 25 74.357 -3.327 11.313
12 HH22 ARG 25 H1 ARG 25 76.017 -3.787 11.137
13 HA ARG 25 HB1 ARG 25 71.637 -1.803 6.244
No H/Q in entry = 13
Start of MODEL 15
1 H LEU 26 H LEU 26 69.821 -0.997 7.288
2 HD11 LEU 26 HD12 LEU 26 66.826 1.781 6.499
3 HD12 LEU 26 HD13 LEU 26 65.308 1.055 7.028
4 HD13 LEU 26 HD21 LEU 26 65.696 2.716 7.476
5 HD21 LEU 26 HD22 LEU 26 66.260 0.095 10.321
6 HD22 LEU 26 HD23 LEU 26 65.028 1.248 9.806
7 HG LEU 26 HXT LEU 26 67.213 2.072 9.109
8 HD23 LEU 26 HXT LEU 26 65.268 -0.248 8.905
9 HA LEU 26 HB1 LEU 26 68.826 1.665 6.898
10 HB3 LEU 26 HG3 LEU 26 68.178 -0.322 9.093
11 HB2 LEU 26 HG2 LEU 26 67.557 -0.427 7.447
No H/Q in entry = 11
Start of MODEL 15
1 H TYR 27 H TYR 27 69.786 3.486 7.817
2 HD1 TYR 27 HD2 TYR 27 73.211 3.855 11.061
3 HD2 TYR 27 HE1 TYR 27 71.829 7.546 9.281
4 HE1 TYR 27 HE2 TYR 27 74.606 5.153 12.673
5 HE2 TYR 27 HH TYR 27 73.224 8.844 10.896
6 HH TYR 27 HXT TYR 27 75.699 7.715 12.520
7 HA TYR 27 HB1 TYR 27 71.101 3.261 10.484
8 HB3 TYR 27 HG3 TYR 27 71.030 5.516 8.467
9 HB2 TYR 27 HG2 TYR 27 72.232 4.237 8.467
No H/Q in entry = 9
Start of MODEL 15
1 H THR 28 H THR 28 68.758 5.365 8.759
2 HG1 THR 28 HG21 THR 28 68.430 8.328 8.862
3 HG21 THR 28 HG22 THR 28 68.743 6.835 12.615
4 HG22 THR 28 HG23 THR 28 70.145 6.996 11.557
5 HG23 THR 28 HXT THR 28 69.419 8.430 12.285
6 HA THR 28 HB1 THR 28 67.262 5.807 11.276
7 HB THR 28 HG12 THR 28 67.537 8.339 10.878
No H/Q in entry = 7
Start of MODEL 15
1 H VAL 29 H VAL 29 65.178 6.808 10.880
2 HB VAL 29 HG12 VAL 29 64.035 4.811 8.673
3 HG11 VAL 29 HG12 VAL 29 63.681 5.337 11.129
4 HG12 VAL 29 HG13 VAL 29 62.050 5.860 10.706
5 HG13 VAL 29 HG21 VAL 29 62.536 4.185 10.443
6 HG21 VAL 29 HG22 VAL 29 61.710 6.624 8.106
7 HG22 VAL 29 HG23 VAL 29 62.474 5.429 7.060
8 HG23 VAL 29 HXT VAL 29 61.413 4.905 8.366
9 HA VAL 29 HB1 VAL 29 64.397 7.189 8.029
No H/Q in entry = 9
Start of MODEL 15
1 H ASP 30 H ASP 30 62.684 8.679 7.774
2 HA ASP 30 HB1 ASP 30 61.527 9.854 10.281
3 HB3 ASP 30 HG3 ASP 30 62.090 11.435 7.782
4 HB2 ASP 30 HG2 ASP 30 63.401 11.090 8.910
No H/Q in entry = 4
Start of MODEL 15
1 HB2 PRO 31 HG2 PRO 31 56.491 8.952 10.121
2 HB3 PRO 31 HG3 PRO 31 56.623 7.398 9.277
3 HG2 PRO 31 HD2 PRO 31 57.745 7.825 11.672
4 HG3 PRO 31 HD3 PRO 31 58.466 6.756 10.459
5 HD2 PRO 31 HD3 PRO 31 59.273 9.500 11.273
6 HD3 PRO 31 HXT PRO 31 60.275 8.130 10.746
7 HA PRO 31 HB1 PRO 31 58.089 8.236 7.726
No H/Q in entry = 7
Start of MODEL 15
1 H GLN 32 H GLN 32 58.012 11.212 9.698
2 HB2 GLN 32 HG2 GLN 32 57.524 13.387 10.370
3 HB3 GLN 32 HG3 GLN 32 56.057 14.194 9.818
4 HE21 GLN 32 HE22 GLN 32 56.948 12.223 13.229
5 HE22 GLN 32 HXT GLN 32 56.170 13.437 14.125
6 HA GLN 32 HB1 GLN 32 55.638 12.228 8.288
7 HG3 GLN 32 HD3 GLN 32 56.211 11.490 11.181
8 HG2 GLN 32 HD2 GLN 32 54.733 12.205 10.536
No H/Q in entry = 8
Start of MODEL 15
1 H GLU 33 H GLU 33 59.127 12.657 8.100
2 HB2 GLU 33 HG2 GLU 33 61.182 13.177 7.217
3 HB3 GLU 33 HG3 GLU 33 61.400 14.516 6.090
4 HA GLU 33 HB1 GLU 33 58.901 14.865 6.155
5 HG3 GLU 33 HD3 GLU 33 60.214 14.676 8.876
6 HG2 GLU 33 HD2 GLU 33 60.259 16.020 7.736
No H/Q in entry = 6
Start of MODEL 15
1 H CYS 34 H CYS 34 58.253 11.602 5.875
2 HG CYS 34 HXT CYS 34 56.081 10.814 3.814
3 HA CYS 34 HB1 CYS 34 58.373 10.009 4.142
4 HB3 CYS 34 HG3 CYS 34 58.100 11.135 1.873
5 HB2 CYS 34 HG2 CYS 34 58.290 12.677 2.709
No H/Q in entry = 5
Start of MODEL 15
1 H THR 35 H THR 35 60.950 10.594 5.272
2 HG1 THR 35 HG21 THR 35 63.464 12.887 5.933
3 HG21 THR 35 HG22 THR 35 61.788 12.724 2.888
4 HG22 THR 35 HG23 THR 35 62.810 13.935 3.662
5 HG23 THR 35 HXT THR 35 63.464 12.920 2.378
6 HA THR 35 HB1 THR 35 62.717 10.370 2.857
7 HB THR 35 HG12 THR 35 64.308 11.850 4.257
No H/Q in entry = 7
Start of MODEL 15
1 H ILE 36 H ILE 36 64.669 9.167 3.249
2 HB ILE 36 HG12 ILE 36 65.249 5.711 4.833
3 HG12 ILE 36 HG13 ILE 36 64.144 7.058 2.351
4 HG13 ILE 36 HG21 ILE 36 65.863 6.737 2.573
5 HG21 ILE 36 HG22 ILE 36 62.993 6.801 5.653
6 HG22 ILE 36 HG23 ILE 36 62.597 6.795 3.935
7 HD11 ILE 36 HD12 ILE 36 65.299 4.317 2.944
8 HD12 ILE 36 HD13 ILE 36 63.627 4.692 2.528
9 HG23 ILE 36 HXT ILE 36 62.963 5.280 4.761
10 HD13 ILE 36 HXT ILE 36 64.901 4.893 1.324
11 HA ILE 36 HB1 ILE 36 64.992 7.933 5.946
No H/Q in entry = 11
Start of MODEL 15
1 H ALA 37 H ALA 37 67.182 7.026 6.239
2 HA ALA 37 HB1 ALA 37 69.185 7.849 4.175
3 HB1 ALA 37 HB2 ALA 37 68.755 9.360 6.336
4 HB2 ALA 37 HB3 ALA 37 70.387 9.101 5.719
5 HB3 ALA 37 HXT ALA 37 69.803 8.159 7.093
No H/Q in entry = 5
Start of MODEL 15
1 H LEU 38 H LEU 38 70.559 6.195 3.731
2 HD11 LEU 38 HD12 LEU 38 69.624 2.019 1.674
3 HD12 LEU 38 HD13 LEU 38 67.930 2.477 1.853
4 HD13 LEU 38 HD21 LEU 38 69.085 3.619 1.167
5 HD21 LEU 38 HD22 LEU 38 69.498 1.602 4.478
6 HD22 LEU 38 HD23 LEU 38 68.584 2.881 5.277
7 HG LEU 38 HXT LEU 38 68.733 4.319 3.428
8 HD23 LEU 38 HXT LEU 38 67.830 1.922 4.004
9 HA LEU 38 HB1 LEU 38 70.603 3.840 5.587
10 HB3 LEU 38 HG3 LEU 38 71.245 2.626 3.490
11 HB2 LEU 38 HG2 LEU 38 71.127 4.149 2.609
No H/Q in entry = 11
Start of MODEL 15
1 H SER 39 H SER 39 72.642 2.996 6.200
2 HG SER 39 HXT SER 39 75.070 2.186 8.301
3 HA SER 39 HB1 SER 39 74.993 4.755 5.562
4 HB3 SER 39 HG3 SER 39 74.128 4.769 7.906
5 HB2 SER 39 HG2 SER 39 75.764 4.119 7.815
No H/Q in entry = 5
Start of MODEL 15
1 H SER 40 H SER 40 77.057 3.611 5.323
2 HG SER 40 HXT SER 40 76.405 -0.078 6.807
3 HA SER 40 HB1 SER 40 78.247 2.055 4.002
4 HB3 SER 40 HG3 SER 40 78.051 1.144 6.387
5 HB2 SER 40 HG2 SER 40 78.429 -0.041 5.144
No H/Q in entry = 5
Start of MODEL 15
1 H VAL 41 H VAL 41 77.081 2.454 2.033
2 HB VAL 41 HG12 VAL 41 73.990 2.255 1.871
3 HG11 VAL 41 HG12 VAL 41 75.821 3.866 1.284
4 HG12 VAL 41 HG13 VAL 41 75.440 3.599 -0.420
5 HG13 VAL 41 HG21 VAL 41 74.241 4.326 0.648
6 HG21 VAL 41 HG22 VAL 41 74.007 1.178 -0.905
7 HG22 VAL 41 HG23 VAL 41 72.708 1.209 0.284
8 HG23 VAL 41 HXT VAL 41 73.085 2.656 -0.646
9 HA VAL 41 HB1 VAL 41 75.272 0.216 1.222
No H/Q in entry = 9
Start of MODEL 15
1 H ARG 42 H ARG 42 75.448 -0.346 -1.002
2 HB2 ARG 42 HG2 ARG 42 78.440 -1.155 -3.223
3 HB3 ARG 42 HG3 ARG 42 78.534 -0.879 -1.485
4 HG2 ARG 42 HD2 ARG 42 76.367 -2.146 -1.240
5 HG3 ARG 42 HD3 ARG 42 76.469 -2.546 -2.954
6 HD2 ARG 42 HD3 ARG 42 78.644 -3.199 -0.934
7 HE ARG 42 HH12 ARG 42 78.432 -3.359 -3.850
8 HH11 ARG 42 HH21 ARG 42 79.886 -4.801 -1.012
9 HH12 ARG 42 HH22 ARG 42 81.218 -5.447 -1.904
10 HD3 ARG 42 HXT ARG 42 77.413 -4.353 -1.483
11 HH21 ARG 42 HXT ARG 42 80.172 -4.215 -4.959
12 HH22 ARG 42 H1 ARG 42 81.380 -5.121 -4.113
13 HA ARG 42 HB1 ARG 42 77.534 1.077 -2.603
No H/Q in entry = 13
Start of MODEL 15
1 H SER 43 H SER 43 77.217 0.893 -4.901
2 HG SER 43 HXT SER 43 77.349 2.226 -6.707
3 HA SER 43 HB1 SER 43 74.474 0.008 -5.710
4 HB3 SER 43 HG3 SER 43 75.319 2.392 -6.020
5 HB2 SER 43 HG2 SER 43 74.744 1.618 -7.493
No H/Q in entry = 5
Start of MODEL 15
1 H PHE 44 H PHE 44 74.286 -1.727 -7.121
2 HD1 PHE 44 HD2 PHE 44 76.454 -6.043 -6.787
3 HD2 PHE 44 HE1 PHE 44 73.122 -3.547 -5.620
4 HE1 PHE 44 HE2 PHE 44 76.502 -7.048 -4.502
5 HE2 PHE 44 HZ PHE 44 73.170 -4.552 -3.336
6 HZ PHE 44 HXT PHE 44 74.860 -6.301 -2.776
7 HA PHE 44 HB1 PHE 44 76.733 -3.323 -7.482
8 HB3 PHE 44 HG3 PHE 44 74.921 -4.903 -8.468
9 HB2 PHE 44 HG2 PHE 44 73.779 -3.696 -7.907
No H/Q in entry = 9
Start of MODEL 15
1 H GLY 45 H GLY 45 74.343 -1.722 -9.616
2 HA2 GLY 45 HA3 GLY 45 75.590 -2.664 -12.057
3 HA3 GLY 45 HXT GLY 45 76.110 -1.033 -11.641
No H/Q in entry = 3
Start of MODEL 15
1 H THR 46 H THR 46 74.928 -0.726 -13.829
2 HG1 THR 46 HG21 THR 46 74.887 0.895 -15.002
3 HG21 THR 46 HG22 THR 46 72.784 1.513 -12.497
4 HG22 THR 46 HG23 THR 46 74.322 1.991 -13.218
5 HG23 THR 46 HXT THR 46 72.854 2.897 -13.588
6 HA THR 46 HB1 THR 46 71.956 -0.517 -13.431
7 HB THR 46 HG12 THR 46 72.085 1.317 -15.075
No H/Q in entry = 7
Start of MODEL 15
1 H GLU 47 H GLU 47 74.093 -2.599 -14.771
2 HB2 GLU 47 HG2 GLU 47 75.544 -3.686 -16.162
3 HB3 GLU 47 HG3 GLU 47 74.289 -4.907 -15.946
4 HA GLU 47 HB1 GLU 47 73.911 -2.382 -17.573
5 HG3 GLU 47 HD3 GLU 47 75.487 -4.012 -18.584
6 HG2 GLU 47 HD2 GLU 47 74.147 -5.148 -18.426
No H/Q in entry = 6
Start of MODEL 15
1 H ASP 48 H ASP 48 71.748 -4.069 -15.321
2 HA ASP 48 HB1 ASP 48 70.456 -5.791 -17.221
3 HB3 ASP 48 HG3 ASP 48 68.672 -5.831 -15.437
4 HB2 ASP 48 HG2 ASP 48 69.538 -4.535 -14.614
No H/Q in entry = 4
Start of MODEL 15
1 H ARG 49 H ARG 49 69.190 -2.761 -15.785
2 HB2 ARG 49 HG2 ARG 49 67.712 -1.055 -15.400
3 HB3 ARG 49 HG3 ARG 49 66.472 -0.587 -16.563
4 HG2 ARG 49 HD2 ARG 49 65.580 -2.910 -16.510
5 HG3 ARG 49 HD3 ARG 49 66.775 -3.318 -15.280
6 HD2 ARG 49 HD3 ARG 49 65.817 -1.586 -13.780
7 HE ARG 49 HH12 ARG 49 64.728 -4.066 -14.367
8 HH11 ARG 49 HH21 ARG 49 63.361 -0.988 -13.412
9 HH12 ARG 49 HH22 ARG 49 62.008 -1.722 -12.626
10 HD3 ARG 49 HXT ARG 49 64.591 -1.221 -15.009
11 HH21 ARG 49 HXT ARG 49 62.964 -4.968 -13.337
12 HH22 ARG 49 H1 ARG 49 61.784 -3.949 -12.582
13 HA ARG 49 HB1 ARG 49 67.323 -2.436 -18.068
No H/Q in entry = 13
Start of MODEL 15
1 H ASP 50 H ASP 50 70.458 -1.791 -17.940
2 HA ASP 50 HB1 ASP 50 70.979 0.953 -17.777
3 HB3 ASP 50 HG3 ASP 50 72.704 -0.770 -17.937
4 HB2 ASP 50 HG2 ASP 50 72.953 0.417 -19.208
No H/Q in entry = 4
Start of MODEL 15
1 H THR 51 H THR 51 71.269 2.616 -19.357
2 HG1 THR 51 HG21 THR 51 70.550 4.892 -19.163
3 HG21 THR 51 HG22 THR 51 69.141 4.723 -22.552
4 HG22 THR 51 HG23 THR 51 69.858 6.178 -21.859
5 HG23 THR 51 HXT THR 51 70.783 5.193 -22.993
6 HA THR 51 HB1 THR 51 69.410 2.654 -21.619
7 HB THR 51 HG12 THR 51 71.655 4.564 -20.901
No H/Q in entry = 7
Start of MODEL 15
1 H GLN 52 H GLN 52 70.236 3.161 -23.856
2 HB2 GLN 52 HG2 GLN 52 71.709 2.020 -26.914
3 HB3 GLN 52 HG3 GLN 52 70.284 1.600 -25.969
4 HE21 GLN 52 HE22 GLN 52 68.536 4.966 -27.351
5 HE22 GLN 52 HXT GLN 52 68.810 4.669 -28.999
6 HA GLN 52 HB1 GLN 52 72.298 1.236 -24.623
7 HG3 GLN 52 HD3 GLN 52 71.287 4.443 -26.041
8 HG2 GLN 52 HD2 GLN 52 69.670 3.853 -25.666
No H/Q in entry = 8
Start of MODEL 15
1 H PHE 53 H PHE 53 72.606 4.355 -23.411
2 HD1 PHE 53 HD2 PHE 53 72.810 5.733 -25.846
3 HD2 PHE 53 HE1 PHE 53 75.120 8.875 -23.977
4 HE1 PHE 53 HE2 PHE 53 72.417 7.200 -27.826
5 HE2 PHE 53 HZ PHE 53 74.728 10.341 -25.959
6 HZ PHE 53 HXT PHE 53 73.377 9.504 -27.882
7 HA PHE 53 HB1 PHE 53 75.145 4.864 -24.872
8 HB3 PHE 53 HG3 PHE 53 75.019 6.757 -22.970
9 HB2 PHE 53 HG2 PHE 53 73.328 6.294 -22.982
No H/Q in entry = 9
Start of MODEL 15
1 H GLN 54 H GLN 54 77.102 5.289 -23.418
2 HB2 GLN 54 HG2 GLN 54 79.200 5.372 -22.450
3 HB3 GLN 54 HG3 GLN 54 79.829 3.982 -21.566
4 HE21 GLN 54 HE22 GLN 54 80.316 5.203 -25.394
5 HE22 GLN 54 HXT GLN 54 81.973 4.851 -25.283
6 HA GLN 54 HB1 GLN 54 77.548 2.919 -21.770
7 HG3 GLN 54 HD3 GLN 54 78.684 3.956 -24.373
8 HG2 GLN 54 HD2 GLN 54 79.187 2.518 -23.482
No H/Q in entry = 8
Start of MODEL 15
1 H ILE 55 H ILE 55 77.438 2.784 -19.559
2 HB ILE 55 HG12 ILE 55 76.003 2.554 -17.488
3 HG12 ILE 55 HG13 ILE 55 74.490 5.093 -18.150
4 HG13 ILE 55 HG21 ILE 55 75.035 3.984 -19.407
5 HG21 ILE 55 HG22 ILE 55 75.970 5.133 -15.938
6 HG22 ILE 55 HG23 ILE 55 74.597 4.031 -15.826
7 HD11 ILE 55 HD12 ILE 55 73.544 2.839 -17.079
8 HD12 ILE 55 HD13 ILE 55 72.630 3.724 -18.300
9 HG23 ILE 55 HXT ILE 55 76.206 3.487 -15.350
10 HD13 ILE 55 HXT ILE 55 73.577 2.310 -18.760
11 HA ILE 55 HB1 ILE 55 77.156 5.330 -17.987
No H/Q in entry = 11
Start of MODEL 15
1 H ALA 56 H ALA 56 78.523 5.551 -16.209
2 HA ALA 56 HB1 ALA 56 80.667 3.509 -15.902
3 HB1 ALA 56 HB2 ALA 56 80.285 6.393 -15.059
4 HB2 ALA 56 HB3 ALA 56 81.383 5.769 -16.291
5 HB3 ALA 56 HXT ALA 56 81.691 5.438 -14.586
No H/Q in entry = 5
Start of MODEL 15
1 HB2 PRO 57 HG2 PRO 57 79.835 0.124 -11.603
2 HB3 PRO 57 HG3 PRO 57 78.461 0.129 -12.726
3 HG2 PRO 57 HD2 PRO 57 81.374 0.224 -13.299
4 HG3 PRO 57 HD3 PRO 57 80.074 -0.598 -14.176
5 HD2 PRO 57 HD3 PRO 57 81.197 1.736 -15.006
6 HD3 PRO 57 HXT PRO 57 79.523 1.270 -15.375
7 HA PRO 57 HB1 PRO 57 78.318 2.359 -12.162
No H/Q in entry = 7
Start of MODEL 15
1 H GLN 58 H GLN 58 78.889 2.524 -9.914
2 HB2 GLN 58 HG2 GLN 58 78.921 3.617 -7.876
3 HB3 GLN 58 HG3 GLN 58 80.351 4.452 -7.269
4 HE21 GLN 58 HE22 GLN 58 79.948 7.624 -7.754
5 HE22 GLN 58 HXT GLN 58 81.461 8.010 -8.420
6 HA GLN 58 HB1 GLN 58 81.535 3.798 -9.405
7 HG3 GLN 58 HD3 GLN 58 78.633 5.912 -8.475
8 HG2 GLN 58 HD2 GLN 58 79.124 5.093 -9.958
No H/Q in entry = 8
Start of MODEL 15
1 H SER 59 H SER 59 83.106 2.653 -8.355
2 HG SER 59 HXT SER 59 84.021 -1.206 -8.531
3 HA SER 59 HB1 SER 59 82.454 -0.018 -7.230
4 HB3 SER 59 HG3 SER 59 85.104 0.120 -7.079
5 HB2 SER 59 HG2 SER 59 84.873 1.468 -8.189
No H/Q in entry = 5
Start of MODEL 15
1 H GLN 60 H GLN 60 83.609 3.167 -6.223
2 HB2 GLN 60 HG2 GLN 60 84.860 4.657 -4.950
3 HB3 GLN 60 HG3 GLN 60 83.199 5.048 -4.500
4 HE21 GLN 60 HE22 GLN 60 84.340 6.982 -1.137
5 HE22 GLN 60 HXT GLN 60 84.908 8.298 -2.049
6 HA GLN 60 HB1 GLN 60 84.617 2.512 -3.628
7 HG3 GLN 60 HD3 GLN 60 85.469 4.525 -2.556
8 HG2 GLN 60 HD2 GLN 60 83.809 4.925 -2.114
No H/Q in entry = 8
Start of MODEL 15
1 H ILE 61 H ILE 61 83.595 2.629 -1.555
2 HB ILE 61 HG12 ILE 61 82.787 1.865 0.608
3 HG12 ILE 61 HG13 ILE 61 83.361 0.356 -1.237
4 HG13 ILE 61 HG21 ILE 61 82.772 -0.583 0.131
5 HG21 ILE 61 HG22 ILE 61 79.912 0.993 0.417
6 HG22 ILE 61 HG23 ILE 61 81.034 0.147 1.484
7 HD11 ILE 61 HD12 ILE 61 80.433 -0.201 -1.171
8 HD12 ILE 61 HD13 ILE 61 81.538 -0.147 -2.544
9 HG23 ILE 61 HXT ILE 61 80.721 1.868 1.718
10 HD13 ILE 61 HXT ILE 61 81.493 -1.570 -1.503
11 HA ILE 61 HB1 ILE 61 80.679 2.024 -1.577
No H/Q in entry = 11
Start of MODEL 15
1 H TYR 62 H TYR 62 79.183 3.371 -0.544
2 HD1 TYR 62 HD2 TYR 62 79.102 7.939 -1.681
3 HD2 TYR 62 HE1 TYR 62 77.718 3.923 -2.485
4 HE1 TYR 62 HE2 TYR 62 79.508 8.288 -4.120
5 HE2 TYR 62 HH TYR 62 78.124 4.271 -4.923
6 HH TYR 62 HXT TYR 62 78.374 7.067 -6.371
7 HA TYR 62 HB1 TYR 62 80.150 6.087 0.202
8 HB3 TYR 62 HG3 TYR 62 77.724 6.604 -0.024
9 HB2 TYR 62 HG2 TYR 62 77.415 4.905 -0.326
No H/Q in entry = 9
Start of MODEL 15
1 H ASP 63 H ASP 63 80.570 6.338 2.364
2 HA ASP 63 HB1 ASP 63 79.766 4.819 4.574
3 HB3 ASP 63 HG3 ASP 63 80.008 7.835 4.508
4 HB2 ASP 63 HG2 ASP 63 81.396 6.752 4.406
No H/Q in entry = 4
Start of MODEL 15
1 H TYR 64 H TYR 64 77.978 7.483 3.010
2 HD1 TYR 64 HD2 TYR 64 74.105 9.890 3.892
3 HD2 TYR 64 HE1 TYR 64 75.440 8.298 7.687
4 HE1 TYR 64 HE2 TYR 64 71.978 10.633 4.952
5 HE2 TYR 64 HH TYR 64 73.308 9.045 8.742
6 HH TYR 64 HXT TYR 64 71.341 11.259 7.569
7 HA TYR 64 HB1 TYR 64 75.483 6.693 4.406
8 HB3 TYR 64 HG3 TYR 64 76.700 9.457 4.625
9 HB2 TYR 64 HG2 TYR 64 76.873 8.230 5.862
No H/Q in entry = 9
Start of MODEL 15
1 H ILE 65 H ILE 65 73.862 6.871 2.906
2 HB ILE 65 HG12 ILE 65 72.973 6.335 0.522
3 HG12 ILE 65 HG13 ILE 65 75.325 7.849 -0.676
4 HG13 ILE 65 HG21 ILE 65 75.450 6.571 0.532
5 HG21 ILE 65 HG22 ILE 65 73.050 8.747 -1.329
6 HG22 ILE 65 HG23 ILE 65 72.656 7.104 -1.840
7 HD11 ILE 65 HD12 ILE 65 74.082 5.160 -1.211
8 HD12 ILE 65 HD13 ILE 65 74.658 6.366 -2.363
9 HG23 ILE 65 HXT ILE 65 71.602 7.955 -0.709
10 HD13 ILE 65 HXT ILE 65 75.812 5.390 -1.458
11 HA ILE 65 HB1 ILE 65 73.988 9.170 0.969
No H/Q in entry = 11
Start of MODEL 15
1 H LEU 66 H LEU 66 72.293 10.533 1.252
2 HD11 LEU 66 HD12 LEU 66 69.812 11.569 4.881
3 HD12 LEU 66 HD13 LEU 66 68.164 12.196 4.930
4 HD13 LEU 66 HD21 LEU 66 68.480 10.598 4.253
5 HD21 LEU 66 HD22 LEU 66 69.530 14.182 2.228
6 HD22 LEU 66 HD23 LEU 66 68.062 14.113 3.203
7 HG LEU 66 HXT LEU 66 68.252 11.924 2.330
8 HD23 LEU 66 HXT LEU 66 69.643 14.034 3.981
9 HA LEU 66 HB1 LEU 66 69.908 9.697 2.799
10 HB3 LEU 66 HG3 LEU 66 70.632 12.354 1.525
11 HB2 LEU 66 HG2 LEU 66 71.172 11.858 3.128
No H/Q in entry = 11
Start of MODEL 15
1 H PHE 67 H PHE 67 67.886 9.383 1.857
2 HD1 PHE 67 HD2 PHE 67 67.891 8.819 -2.923
3 HD2 PHE 67 HE1 PHE 67 69.135 5.923 0.033
4 HE1 PHE 67 HE2 PHE 67 69.716 8.050 -4.438
5 HE2 PHE 67 HZ PHE 67 70.969 5.163 -1.479
6 HZ PHE 67 HXT PHE 67 71.260 6.229 -3.717
7 HA PHE 67 HB1 PHE 67 67.603 9.900 -1.080
8 HB3 PHE 67 HG3 PHE 67 66.330 7.573 -0.858
9 HB2 PHE 67 HG2 PHE 67 67.394 7.384 0.523
No H/Q in entry = 9
Start of MODEL 15
1 H ARG 68 H ARG 68 65.707 10.945 -1.505
2 HB2 ARG 68 HG2 ARG 68 63.964 12.292 -2.229
3 HB3 ARG 68 HG3 ARG 68 62.607 12.677 -1.171
4 HG2 ARG 68 HD2 ARG 68 64.197 13.468 0.560
5 HG3 ARG 68 HD3 ARG 68 65.538 13.126 -0.533
6 HD2 ARG 68 HD3 ARG 68 65.021 15.490 -0.737
7 HE ARG 68 HH12 ARG 68 62.433 14.744 -0.074
8 HH11 ARG 68 HH21 ARG 68 63.829 16.574 -2.712
9 HH12 ARG 68 HH22 ARG 68 62.406 17.530 -2.931
10 HD3 ARG 68 HXT ARG 68 64.424 14.698 -2.207
11 HH21 ARG 68 HXT ARG 68 60.618 16.006 -0.394
12 HH22 ARG 68 H1 ARG 68 60.607 17.214 -1.636
13 HA ARG 68 HB1 ARG 68 63.572 11.104 0.538
No H/Q in entry = 13
Start of MODEL 15
1 H GLY 69 H GLY 69 61.416 10.326 0.150
2 HA2 GLY 69 HA3 GLY 69 59.764 8.903 -0.715
3 HA3 GLY 69 HXT GLY 69 61.098 7.847 -1.172
No H/Q in entry = 3
Start of MODEL 15
1 H SER 70 H SER 70 60.993 11.082 -2.492
2 HG SER 70 HXT SER 70 61.526 13.632 -3.704
3 HA SER 70 HB1 SER 70 59.423 10.422 -4.861
4 HB3 SER 70 HG3 SER 70 59.631 12.673 -3.771
5 HB2 SER 70 HG2 SER 70 59.999 12.703 -5.493
No H/Q in entry = 5
Start of MODEL 15
1 H ASP 71 H ASP 71 62.913 10.653 -4.134
2 HA ASP 71 HB1 ASP 71 63.634 10.432 -6.972
3 HB3 ASP 71 HG3 ASP 71 64.950 11.842 -5.502
4 HB2 ASP 71 HG2 ASP 71 65.960 10.509 -6.049
No H/Q in entry = 4
Start of MODEL 15
1 H ILE 72 H ILE 72 63.319 8.200 -4.261
2 HB ILE 72 HG12 ILE 72 64.081 6.158 -3.158
3 HG12 ILE 72 HG13 ILE 72 66.208 5.788 -5.299
4 HG13 ILE 72 HG21 ILE 72 65.972 7.217 -4.306
5 HG21 ILE 72 HG22 ILE 72 63.450 3.861 -4.589
6 HG22 ILE 72 HG23 ILE 72 65.200 3.743 -4.439
7 HD11 ILE 72 HD12 ILE 72 66.701 4.475 -3.247
8 HD12 ILE 72 HD13 ILE 72 67.837 5.801 -3.484
9 HG23 ILE 72 HXT ILE 72 64.200 3.886 -2.996
10 HD13 ILE 72 HXT ILE 72 66.545 5.949 -2.290
11 HA ILE 72 HB1 ILE 72 64.027 6.007 -6.187
No H/Q in entry = 11
Start of MODEL 15
1 H LYS 73 H LYS 73 62.506 4.343 -6.496
2 HB2 LYS 73 HG2 LYS 73 60.694 5.193 -8.263
3 HB3 LYS 73 HG3 LYS 73 60.758 3.438 -8.091
4 HG2 LYS 73 HG3 LYS 73 58.314 3.413 -7.645
5 HG3 LYS 73 HD2 LYS 73 58.268 5.159 -7.896
6 HD2 LYS 73 HD3 LYS 73 59.208 4.794 -10.194
7 HE2 LYS 73 HE3 LYS 73 56.624 3.289 -9.624
8 HE3 LYS 73 HZ1 LYS 73 56.757 5.048 -9.820
9 HZ1 LYS 73 HZ2 LYS 73 57.643 3.033 -11.818
10 HZ2 LYS 73 HZ3 LYS 73 56.210 3.940 -11.924
11 HD3 LYS 73 HXT LYS 73 59.051 3.057 -9.934
12 HZ3 LYS 73 HXT LYS 73 57.714 4.721 -11.999
13 HA LYS 73 HB1 LYS 73 59.734 5.292 -5.928
No H/Q in entry = 13
Start of MODEL 15
1 H ASP 74 H ASP 74 61.888 2.639 -5.208
2 HA ASP 74 HB1 ASP 74 59.594 1.206 -3.964
3 HB3 ASP 74 HG3 ASP 74 61.479 -0.140 -5.924
4 HB2 ASP 74 HG2 ASP 74 59.879 0.458 -6.367
No H/Q in entry = 4
Start of MODEL 15
1 H ILE 75 H ILE 75 60.171 0.330 -2.048
2 HB ILE 75 HG12 ILE 75 62.445 1.832 -0.540
3 HG12 ILE 75 HG13 ILE 75 62.527 -0.231 1.671
4 HG13 ILE 75 HG21 ILE 75 63.930 0.117 0.661
5 HG21 ILE 75 HG22 ILE 75 60.286 0.244 0.883
6 HG22 ILE 75 HG23 ILE 75 60.711 1.919 1.233
7 HD11 ILE 75 HD12 ILE 75 63.383 2.623 1.291
8 HD12 ILE 75 HD13 ILE 75 62.548 1.881 2.656
9 HG23 ILE 75 HXT ILE 75 60.023 1.494 -0.333
10 HD13 ILE 75 HXT ILE 75 64.274 1.603 2.421
11 HA ILE 75 HB1 ILE 75 63.051 -0.338 -1.555
No H/Q in entry = 11
Start of MODEL 15
1 H ARG 76 H ARG 76 63.352 -2.296 -0.469
2 HB2 ARG 76 HG2 ARG 76 62.657 -4.696 -1.484
3 HB3 ARG 76 HG3 ARG 76 61.573 -5.692 -0.512
4 HG2 ARG 76 HD2 ARG 76 59.725 -4.048 -1.072
5 HG3 ARG 76 HD3 ARG 76 60.833 -3.314 -2.232
6 HD2 ARG 76 HD3 ARG 76 59.468 -4.936 -3.429
7 HE ARG 76 HH12 ARG 76 59.396 -6.306 -1.020
8 HH11 ARG 76 HH21 ARG 76 60.304 -7.190 -4.283
9 HH12 ARG 76 HH22 ARG 76 59.859 -8.845 -4.062
10 HD3 ARG 76 HXT ARG 76 61.101 -5.612 -3.284
11 HH21 ARG 76 HXT ARG 76 58.833 -8.454 -0.783
12 HH22 ARG 76 H1 ARG 76 59.034 -9.556 -2.105
13 HA ARG 76 HB1 ARG 76 61.030 -3.620 0.840
No H/Q in entry = 13
Start of MODEL 15
1 H VAL 77 H VAL 77 61.680 -4.814 2.614
2 HB VAL 77 HG12 VAL 77 62.056 -5.830 4.766
3 HG11 VAL 77 HG12 VAL 77 64.884 -5.300 5.723
4 HG12 VAL 77 HG13 VAL 77 63.516 -5.564 6.803
5 HG13 VAL 77 HG21 VAL 77 64.040 -6.848 5.714
6 HG21 VAL 77 HG22 VAL 77 63.530 -3.180 4.845
7 HG22 VAL 77 HG23 VAL 77 61.844 -3.455 4.405
8 HG23 VAL 77 HXT VAL 77 62.367 -3.674 6.076
9 HA VAL 77 HB1 VAL 77 64.547 -4.818 3.338
No H/Q in entry = 9
Start of MODEL 15
1 H VAL 78 H VAL 78 65.789 -6.738 3.613
2 HB VAL 78 HG12 VAL 78 67.517 -8.393 3.271
3 HG11 VAL 78 HG12 VAL 78 67.214 -10.811 2.860
4 HG12 VAL 78 HG13 VAL 78 66.721 -10.467 1.202
5 HG13 VAL 78 HG21 VAL 78 68.369 -10.118 1.723
6 HG21 VAL 78 HG22 VAL 78 66.329 -7.990 0.511
7 HG22 VAL 78 HG23 VAL 78 66.973 -6.755 1.592
8 HG23 VAL 78 HXT VAL 78 68.062 -7.915 0.830
9 HA VAL 78 HB1 VAL 78 64.805 -9.086 2.078
No H/Q in entry = 9
Start of MODEL 15
1 H ASN 79 H ASN 79 64.210 -10.974 3.080
2 HD21 ASN 79 HD22 ASN 79 62.865 -11.019 7.687
3 HD22 ASN 79 HXT ASN 79 62.345 -12.425 8.484
4 HA ASN 79 HB1 ASN 79 64.747 -11.254 6.023
5 HB3 ASN 79 HG3 ASN 79 62.457 -12.367 4.372
6 HB2 ASN 79 HG2 ASN 79 62.378 -10.835 5.242
No H/Q in entry = 6
Start of MODEL 15
1 H ASN 80 H ASN 80 65.486 -13.287 6.736
2 HD21 ASN 80 HD22 ASN 80 67.913 -17.145 8.049
3 HD22 ASN 80 HXT ASN 80 68.986 -17.936 6.999
4 HA ASN 80 HB1 ASN 80 66.569 -15.084 4.632
5 HB3 ASN 80 HG3 ASN 80 66.919 -15.173 7.641
6 HB2 ASN 80 HG2 ASN 80 67.879 -14.123 6.598
No H/Q in entry = 6
Start of MODEL 15
1 H HIS 81 H HIS 81 65.096 -16.621 3.979
2 HD1 HIS 81 HD2 HIS 81 63.767 -15.602 2.497
3 HD2 HIS 81 HE1 HIS 81 62.894 -19.605 1.722
4 HE1 HIS 81 HE2 HIS 81 64.433 -16.028 0.091
5 HA HIS 81 HB1 HIS 81 63.377 -17.935 6.056
6 HB3 HIS 81 HG3 HIS 81 62.201 -16.750 4.281
7 HB2 HIS 81 HG2 HIS 81 61.943 -18.475 4.113
No H/Q in entry = 7
Start of MODEL 15
1 H THR 82 H THR 82 66.211 -18.647 5.483
2 HG1 THR 82 HG21 THR 82 68.426 -18.770 3.202
3 HG21 THR 82 HG22 THR 82 68.438 -22.315 4.476
4 HG22 THR 82 HG23 THR 82 68.232 -21.759 2.815
5 HG23 THR 82 HXT THR 82 69.650 -21.265 3.741
6 HA THR 82 HB1 THR 82 65.952 -21.283 4.107
7 HB THR 82 HG12 THR 82 68.405 -19.793 5.091
No H/Q in entry = 7
Start of MODEL 15
1 H LEU 83 H LEU 83 66.291 -23.204 5.235
2 HD11 LEU 83 HD12 LEU 83 63.049 -24.751 6.260
3 HD12 LEU 83 HD13 LEU 83 62.657 -25.202 7.919
4 HD13 LEU 83 HD21 LEU 83 62.076 -23.673 7.259
5 HD21 LEU 83 HD22 LEU 83 64.291 -24.536 9.717
6 HD22 LEU 83 HD23 LEU 83 64.897 -22.884 9.604
7 HG LEU 83 HXT LEU 83 64.228 -22.698 7.312
8 HD23 LEU 83 HXT LEU 83 63.159 -23.190 9.583
9 HA LEU 83 HB1 LEU 83 66.636 -22.982 8.206
10 HB3 LEU 83 HG3 LEU 83 65.533 -25.310 8.039
11 HB2 LEU 83 HG2 LEU 83 65.231 -24.912 6.348
No H/Q in entry = 11
Start of MODEL 15
1 HB2 PRO 84 HG2 PRO 84 70.163 -27.019 10.109
2 HB3 PRO 84 HG3 PRO 84 70.552 -25.297 10.285
3 HG2 PRO 84 HD2 PRO 84 67.965 -26.701 10.678
4 HG3 PRO 84 HD3 PRO 84 68.661 -25.339 11.570
5 HD2 PRO 84 HD3 PRO 84 66.690 -25.065 9.712
6 HD3 PRO 84 HXT PRO 84 67.874 -23.792 10.081
7 HA PRO 84 HB1 PRO 84 70.397 -25.272 7.987
No H/Q in entry = 7
Start of MODEL 16
1 H1 GLY -3 H1 GLY -3 67.611 -6.645 35.528
2 H2 GLY -3 H2 GLY -3 69.297 -6.472 35.413
3 H3 GLY -3 H3 GLY -3 68.314 -5.106 35.639
4 HA2 GLY -3 HA3 GLY -3 68.590 -6.783 33.218
5 HA3 GLY -3 HXT GLY -3 68.883 -5.051 33.383
No H/Q in entry = 5
Start of MODEL 16
1 H ALA -2 H ALA -2 67.336 -4.246 31.976
2 HA ALA -2 HB1 ALA -2 64.479 -4.719 32.721
3 HB1 ALA -2 HB2 ALA -2 65.468 -2.425 32.802
4 HB2 ALA -2 HB3 ALA -2 65.804 -2.540 31.074
5 HB3 ALA -2 HXT ALA -2 64.138 -2.540 31.651
No H/Q in entry = 5
Start of MODEL 16
1 H MET -1 H MET -1 62.989 -5.375 31.131
2 HB2 MET -1 HG2 MET -1 61.505 -6.796 30.106
3 HB3 MET -1 HG3 MET -1 61.876 -7.642 28.603
4 HE1 MET -1 HE2 MET -1 61.883 -10.060 28.744
5 HE2 MET -1 HE3 MET -1 62.627 -9.367 27.297
6 HE3 MET -1 HXT MET -1 63.094 -10.973 27.849
7 HA MET -1 HB1 MET -1 64.161 -6.547 28.658
8 HG3 MET -1 HD3 MET -1 62.286 -8.975 30.734
9 HG2 MET -1 HD2 MET -1 63.608 -7.860 31.075
No H/Q in entry = 9
Start of MODEL 16
1 H ALA 0 H ALA 0 64.343 -4.760 27.238
2 HA ALA 0 HB1 ALA 0 61.862 -3.186 26.672
3 HB1 ALA 0 HB2 ALA 0 64.053 -2.082 27.289
4 HB2 ALA 0 HB3 ALA 0 64.730 -2.729 25.795
5 HB3 ALA 0 HXT ALA 0 63.406 -1.567 25.732
No H/Q in entry = 5
Start of MODEL 16
1 H MET 1 H MET 1 60.853 -3.420 24.694
2 HB2 MET 1 HG2 MET 1 59.414 -5.229 23.644
3 HB3 MET 1 HG3 MET 1 59.975 -6.065 22.196
4 HE1 MET 1 HE2 MET 1 59.919 -8.404 22.250
5 HE2 MET 1 HE3 MET 1 60.957 -7.825 20.948
6 HE3 MET 1 HXT MET 1 61.204 -9.439 21.631
7 HA MET 1 HB1 MET 1 62.245 -5.021 22.570
8 HG3 MET 1 HD3 MET 1 60.049 -7.441 24.332
9 HG2 MET 1 HD2 MET 1 61.324 -6.359 24.891
No H/Q in entry = 9
Start of MODEL 16
1 H SER 2 H SER 2 61.595 -4.480 20.403
2 HG SER 2 HXT SER 2 61.131 -0.431 18.591
3 HA SER 2 HB1 SER 2 60.068 -1.905 20.139
4 HB3 SER 2 HG3 SER 2 62.364 -2.990 18.475
5 HB2 SER 2 HG2 SER 2 62.536 -1.788 19.750
No H/Q in entry = 5
Start of MODEL 16
1 H GLY 3 H GLY 3 58.522 -1.832 18.478
2 HA2 GLY 3 HA3 GLY 3 56.843 -3.671 17.687
3 HA3 GLY 3 HXT GLY 3 58.223 -4.250 16.754
No H/Q in entry = 3
Start of MODEL 16
1 H GLY 4 H GLY 4 57.039 -0.936 17.400
2 HA2 GLY 4 HA3 GLY 4 56.311 0.740 15.926
3 HA3 GLY 4 HXT GLY 4 55.911 -0.544 14.786
No H/Q in entry = 3
Start of MODEL 16
1 H LEU 5 H LEU 5 59.049 0.421 16.201
2 HD11 LEU 5 HD12 LEU 5 61.066 2.909 17.749
3 HD12 LEU 5 HD13 LEU 5 62.390 3.659 16.858
4 HD13 LEU 5 HD21 LEU 5 60.890 4.547 17.120
5 HD21 LEU 5 HD22 LEU 5 61.101 3.290 13.527
6 HD22 LEU 5 HD23 LEU 5 60.841 4.787 14.424
7 HG LEU 5 HXT LEU 5 59.676 3.081 15.640
8 HD23 LEU 5 HXT LEU 5 62.377 3.931 14.562
9 HA LEU 5 HB1 LEU 5 60.011 1.541 13.668
10 HB3 LEU 5 HG3 LEU 5 62.192 1.493 15.146
11 HB2 LEU 5 HG2 LEU 5 61.077 1.049 16.439
No H/Q in entry = 11
Start of MODEL 16
1 HB2 PRO 6 HG2 PRO 6 63.563 -1.328 10.414
2 HB3 PRO 6 HG3 PRO 6 61.833 -1.316 10.023
3 HG2 PRO 6 HD2 PRO 6 63.565 0.890 10.997
4 HG3 PRO 6 HD3 PRO 6 62.229 0.929 9.838
5 HD2 PRO 6 HD3 PRO 6 62.012 1.757 12.430
6 HD3 PRO 6 HXT PRO 6 60.648 1.144 11.472
7 HA PRO 6 HB1 PRO 6 61.625 -2.306 12.099
No H/Q in entry = 7
Start of MODEL 16
1 H GLU 7 H GLU 7 63.535 -3.640 12.356
2 HB2 GLU 7 HG2 GLU 7 65.419 -5.042 12.336
3 HB3 GLU 7 HG3 GLU 7 66.404 -5.129 13.797
4 HA GLU 7 HB1 GLU 7 65.172 -3.100 14.654
5 HG3 GLU 7 HD3 GLU 7 63.383 -5.335 13.642
6 HG2 GLU 7 HD2 GLU 7 64.300 -5.271 15.148
No H/Q in entry = 6
Start of MODEL 16
1 H LEU 8 H LEU 8 67.067 -1.958 14.811
2 HD11 LEU 8 HD12 LEU 8 69.556 1.384 16.466
3 HD12 LEU 8 HD13 LEU 8 67.894 1.694 16.969
4 HD13 LEU 8 HD21 LEU 8 68.612 0.104 17.228
5 HD21 LEU 8 HD22 LEU 8 68.939 1.979 13.890
6 HD22 LEU 8 HD23 LEU 8 67.304 1.492 13.443
7 HG LEU 8 HXT LEU 8 67.101 0.041 15.294
8 HD23 LEU 8 HXT LEU 8 67.560 2.560 14.823
9 HA LEU 8 HB1 LEU 8 68.127 -0.385 12.659
10 HB3 LEU 8 HG3 LEU 8 69.967 0.013 14.316
11 HB2 LEU 8 HG2 LEU 8 69.282 -1.263 15.323
No H/Q in entry = 11
Start of MODEL 16
1 H GLY 9 H GLY 9 69.979 -0.702 11.361
2 HA2 GLY 9 HA3 GLY 9 71.785 -2.955 11.754
3 HA3 GLY 9 HXT GLY 9 71.848 -1.779 10.462
No H/Q in entry = 3
Start of MODEL 16
1 H SER 10 H SER 10 68.717 -2.909 10.413
2 HG SER 10 HXT SER 10 66.182 -5.406 10.283
3 HA SER 10 HB1 SER 10 68.910 -5.474 9.165
4 HB3 SER 10 HG3 SER 10 66.630 -4.851 8.314
5 HB2 SER 10 HG2 SER 10 66.908 -3.212 8.893
No H/Q in entry = 5
Start of MODEL 16
1 H LYS 11 H LYS 11 69.295 -6.065 7.027
2 HB2 LYS 11 HG2 LYS 11 70.979 -6.021 3.860
3 HB3 LYS 11 HG3 LYS 11 71.338 -6.376 5.546
4 HG2 LYS 11 HG3 LYS 11 69.066 -7.482 5.708
5 HG3 LYS 11 HD2 LYS 11 68.912 -7.277 3.965
6 HD2 LYS 11 HD3 LYS 11 71.143 -8.495 3.755
7 HE2 LYS 11 HE3 LYS 11 68.583 -9.759 4.738
8 HE3 LYS 11 HZ1 LYS 11 69.301 -9.808 3.116
9 HZ1 LYS 11 HZ2 LYS 11 70.499 -11.029 5.548
10 HZ2 LYS 11 HZ3 LYS 11 69.667 -11.888 4.340
11 HD3 LYS 11 HXT LYS 11 70.966 -8.916 5.459
12 HZ3 LYS 11 HXT LYS 11 71.130 -11.105 3.975
13 HA LYS 11 HB1 LYS 11 70.447 -4.060 5.218
No H/Q in entry = 13
Start of MODEL 16
1 H ILE 12 H ILE 12 69.309 -2.960 3.680
2 HB ILE 12 HG12 ILE 12 67.489 -1.205 3.307
3 HG12 ILE 12 HG13 ILE 12 65.433 -2.935 4.719
4 HG13 ILE 12 HG21 ILE 12 67.073 -2.683 5.319
5 HG21 ILE 12 HG22 ILE 12 64.851 -2.398 2.388
6 HG22 ILE 12 HG23 ILE 12 65.082 -0.717 2.869
7 HD11 ILE 12 HD12 ILE 12 66.555 -0.163 5.147
8 HD12 ILE 12 HD13 ILE 12 64.866 -0.647 4.997
9 HG23 ILE 12 HXT ILE 12 65.902 -1.346 1.440
10 HD13 ILE 12 HXT ILE 12 65.775 -1.055 6.453
11 HA ILE 12 HB1 ILE 12 66.672 -4.085 2.780
No H/Q in entry = 11
Start of MODEL 16
1 H SER 13 H SER 13 66.253 -3.970 0.583
2 HG SER 13 HXT SER 13 68.358 -4.769 -3.225
3 HA SER 13 HB1 SER 13 68.453 -3.039 -1.206
4 HB3 SER 13 HG3 SER 13 65.985 -4.735 -1.729
5 HB2 SER 13 HG2 SER 13 67.574 -5.383 -1.328
No H/Q in entry = 5
Start of MODEL 16
1 H LEU 14 H LEU 14 68.044 -1.396 -2.712
2 HD11 LEU 14 HD12 LEU 14 65.485 1.665 -0.059
3 HD12 LEU 14 HD13 LEU 14 64.661 3.072 -0.731
4 HD13 LEU 14 HD21 LEU 14 64.431 1.483 -1.461
5 HD21 LEU 14 HD22 LEU 14 67.846 3.144 -0.577
6 HD22 LEU 14 HD23 LEU 14 67.753 3.978 -2.129
7 HG LEU 14 HXT LEU 14 65.970 2.652 -2.880
8 HD23 LEU 14 HXT LEU 14 66.530 4.275 -0.892
9 HA LEU 14 HB1 LEU 14 65.407 0.011 -2.477
10 HB3 LEU 14 HG3 LEU 14 68.111 1.359 -2.496
11 HB2 LEU 14 HG2 LEU 14 67.406 0.764 -0.994
No H/Q in entry = 11
Start of MODEL 16
1 H ILE 15 H ILE 15 64.598 0.454 -4.501
2 HB ILE 15 HG12 ILE 15 63.463 0.022 -6.626
3 HG12 ILE 15 HG13 ILE 15 65.588 -2.055 -7.225
4 HG13 ILE 15 HG21 ILE 15 64.959 -1.778 -5.602
5 HG21 ILE 15 HG22 ILE 15 64.300 0.914 -8.827
6 HG22 ILE 15 HG23 ILE 15 65.315 -0.522 -8.968
7 HD11 ILE 15 HD12 ILE 15 62.619 -2.064 -6.711
8 HD12 ILE 15 HD13 ILE 15 63.513 -2.822 -8.029
9 HG23 ILE 15 HXT ILE 15 63.559 -0.681 -8.947
10 HD13 ILE 15 HXT ILE 15 63.586 -3.508 -6.405
11 HA ILE 15 HB1 ILE 15 66.479 0.396 -6.836
No H/Q in entry = 11
Start of MODEL 16
1 H SER 16 H SER 16 66.972 2.395 -7.621
2 HG SER 16 HXT SER 16 68.079 5.488 -5.882
3 HA SER 16 HB1 SER 16 65.296 4.743 -6.943
4 HB3 SER 16 HG3 SER 16 67.277 5.962 -7.754
5 HB2 SER 16 HG2 SER 16 67.978 4.449 -8.319
No H/Q in entry = 5
Start of MODEL 16
1 H LYS 17 H LYS 17 64.753 6.322 -8.638
2 HB2 LYS 17 HG2 LYS 17 63.140 7.553 -9.596
3 HB3 LYS 17 HG3 LYS 17 64.468 7.974 -10.676
4 HG2 LYS 17 HG3 LYS 17 62.487 8.731 -11.769
5 HG3 LYS 17 HD2 LYS 17 62.948 7.245 -12.600
6 HD2 LYS 17 HD3 LYS 17 61.320 5.966 -11.320
7 HE2 LYS 17 HE3 LYS 17 59.933 8.509 -12.224
8 HE3 LYS 17 HZ1 LYS 17 60.580 7.311 -13.363
9 HZ1 LYS 17 HZ2 LYS 17 58.691 6.722 -11.144
10 HZ2 LYS 17 HZ3 LYS 17 58.261 6.839 -12.783
11 HD3 LYS 17 HXT LYS 17 60.923 7.384 -10.348
12 HZ3 LYS 17 HXT LYS 17 59.296 5.599 -12.266
13 HA LYS 17 HB1 LYS 17 63.122 5.264 -10.663
No H/Q in entry = 13
Start of MODEL 16
1 H ALA 18 H ALA 18 66.572 5.623 -10.807
2 HA ALA 18 HB1 ALA 18 66.680 5.809 -13.750
3 HB1 ALA 18 HB2 ALA 18 69.211 5.554 -13.067
4 HB2 ALA 18 HB3 ALA 18 68.361 7.044 -12.656
5 HB3 ALA 18 HXT ALA 18 68.604 5.799 -11.427
No H/Q in entry = 5
Start of MODEL 16
1 H ASP 19 H ASP 19 65.587 3.359 -12.183
2 HA ASP 19 HB1 ASP 19 65.753 1.015 -12.184
3 HB3 ASP 19 HG3 ASP 19 66.637 0.096 -14.339
4 HB2 ASP 19 HG2 ASP 19 67.219 1.704 -14.758
No H/Q in entry = 4
Start of MODEL 16
1 H ILE 20 H ILE 20 67.815 2.584 -10.799
2 HB ILE 20 HG12 ILE 20 69.745 3.365 -9.445
3 HG12 ILE 20 HG13 ILE 20 71.134 3.140 -12.138
4 HG13 ILE 20 HG21 ILE 20 69.498 3.739 -11.917
5 HG21 ILE 20 HG22 ILE 20 71.634 1.946 -8.693
6 HG22 ILE 20 HG23 ILE 20 72.321 2.013 -10.315
7 HD11 ILE 20 HD12 ILE 20 70.357 5.519 -10.417
8 HD12 ILE 20 HD13 ILE 20 71.999 4.949 -10.708
9 HG23 ILE 20 HXT ILE 20 72.205 3.481 -9.345
10 HD13 ILE 20 HXT ILE 20 71.054 5.626 -12.034
11 HA ILE 20 HB1 ILE 20 70.253 0.879 -11.121
No H/Q in entry = 11
Start of MODEL 16
1 H ARG 21 H ARG 21 70.884 -0.510 -9.440
2 HB2 ARG 21 HG2 ARG 21 69.446 -2.710 -8.810
3 HB3 ARG 21 HG3 ARG 21 71.104 -2.693 -8.207
4 HG2 ARG 21 HD2 ARG 21 70.257 -3.121 -5.914
5 HG3 ARG 21 HD3 ARG 21 68.614 -3.197 -6.551
6 HD2 ARG 21 HD3 ARG 21 69.317 -5.086 -8.039
7 HE ARG 21 HH12 ARG 21 69.178 -5.162 -5.115
8 HH11 ARG 21 HH21 ARG 21 69.568 -7.098 -8.006
9 HH12 ARG 21 HH22 ARG 21 68.969 -8.530 -7.245
10 HD3 ARG 21 HXT ARG 21 70.912 -5.056 -7.264
11 HH21 ARG 21 HXT ARG 21 68.412 -7.038 -4.177
12 HH22 ARG 21 H1 ARG 21 68.321 -8.500 -5.102
13 HA ARG 21 HB1 ARG 21 68.926 -0.831 -7.201
No H/Q in entry = 13
Start of MODEL 16
1 H TYR 22 H TYR 22 69.567 0.105 -5.334
2 HD1 TYR 22 HD2 TYR 22 73.565 2.945 -4.236
3 HD2 TYR 22 HE1 TYR 22 69.629 2.639 -6.006
4 HE1 TYR 22 HE2 TYR 22 74.218 4.603 -5.982
5 HE2 TYR 22 HH TYR 22 70.284 4.303 -7.760
6 HH TYR 22 HXT TYR 22 73.464 5.165 -8.372
7 HA TYR 22 HB1 TYR 22 72.472 0.100 -4.593
8 HB3 TYR 22 HG3 TYR 22 71.695 1.918 -3.025
9 HB2 TYR 22 HG2 TYR 22 70.104 1.788 -3.744
No H/Q in entry = 9
Start of MODEL 16
1 H GLU 23 H GLU 23 72.992 -0.768 -2.516
2 HB2 GLU 23 HG2 GLU 23 71.671 -3.551 -2.377
3 HB3 GLU 23 HG3 GLU 23 73.230 -3.337 -1.581
4 HA GLU 23 HB1 GLU 23 70.726 -1.788 -0.841
5 HG3 GLU 23 HD3 GLU 23 70.647 -4.229 -0.268
6 HG2 GLU 23 HD2 GLU 23 72.144 -3.895 0.601
No H/Q in entry = 6
Start of MODEL 16
1 H GLY 24 H GLY 24 71.157 -1.603 1.389
2 HA2 GLY 24 HA3 GLY 24 72.926 0.376 2.270
3 HA3 GLY 24 HXT GLY 24 73.829 -1.130 2.430
No H/Q in entry = 3
Start of MODEL 16
1 H ARG 25 H ARG 25 73.664 -0.250 4.766
2 HB2 ARG 25 HG2 ARG 25 73.954 -0.111 7.028
3 HB3 ARG 25 HG3 ARG 25 72.942 -1.013 8.156
4 HG2 ARG 25 HD2 ARG 25 73.483 -3.110 6.997
5 HG3 ARG 25 HD3 ARG 25 74.464 -2.224 5.829
6 HD2 ARG 25 HD3 ARG 25 75.966 -3.142 7.508
7 HE ARG 25 HH12 ARG 25 74.699 -1.836 9.798
8 HH11 ARG 25 HH21 ARG 25 74.643 -4.668 7.742
9 HH12 ARG 25 HH22 ARG 25 73.926 -5.661 8.962
10 HD3 ARG 25 HXT ARG 25 75.861 -1.394 7.792
11 HH21 ARG 25 HXT ARG 25 73.774 -3.160 11.344
12 HH22 ARG 25 H1 ARG 25 73.437 -4.819 10.980
13 HA ARG 25 HB1 ARG 25 71.585 -1.798 6.174
No H/Q in entry = 13
Start of MODEL 16
1 H LEU 26 H LEU 26 69.759 -0.908 7.097
2 HD11 LEU 26 HD12 LEU 26 66.019 1.434 6.309
3 HD12 LEU 26 HD13 LEU 26 65.484 2.802 7.283
4 HD13 LEU 26 HD21 LEU 26 67.129 2.762 6.649
5 HD21 LEU 26 HD22 LEU 26 65.961 0.045 9.713
6 HD22 LEU 26 HD23 LEU 26 64.957 1.467 9.429
7 HG LEU 26 HXT LEU 26 67.203 2.168 9.002
8 HD23 LEU 26 HXT LEU 26 65.049 0.195 8.211
9 HA LEU 26 HB1 LEU 26 68.936 1.813 6.735
10 HB3 LEU 26 HG3 LEU 26 68.063 -0.210 8.817
11 HB2 LEU 26 HG2 LEU 26 67.516 -0.204 7.141
No H/Q in entry = 11
Start of MODEL 16
1 H TYR 27 H TYR 27 69.847 3.574 7.785
2 HD1 TYR 27 HD2 TYR 27 73.026 3.835 11.281
3 HD2 TYR 27 HE1 TYR 27 71.941 7.554 9.360
4 HE1 TYR 27 HE2 TYR 27 74.343 5.098 12.983
5 HE2 TYR 27 HH TYR 27 73.259 8.816 11.064
6 HH TYR 27 HXT TYR 27 73.999 8.173 13.673
7 HA TYR 27 HB1 TYR 27 71.076 3.215 10.477
8 HB3 TYR 27 HG3 TYR 27 71.066 5.551 8.551
9 HB2 TYR 27 HG2 TYR 27 72.277 4.283 8.560
No H/Q in entry = 9
Start of MODEL 16
1 H THR 28 H THR 28 68.792 5.409 8.788
2 HG1 THR 28 HG21 THR 28 69.328 8.885 9.920
3 HG21 THR 28 HG22 THR 28 68.645 6.667 12.694
4 HG22 THR 28 HG23 THR 28 70.069 6.925 11.686
5 HG23 THR 28 HXT THR 28 69.287 8.295 12.476
6 HA THR 28 HB1 THR 28 67.200 5.698 11.271
7 HB THR 28 HG12 THR 28 67.450 8.248 11.013
No H/Q in entry = 7
Start of MODEL 16
1 H VAL 29 H VAL 29 65.112 6.689 10.848
2 HB VAL 29 HG12 VAL 29 64.103 4.737 8.537
3 HG11 VAL 29 HG12 VAL 29 63.656 5.153 10.993
4 HG12 VAL 29 HG13 VAL 29 62.033 5.673 10.542
5 HG13 VAL 29 HG21 VAL 29 62.546 4.016 10.229
6 HG21 VAL 29 HG22 VAL 29 61.755 6.506 7.938
7 HG22 VAL 29 HG23 VAL 29 62.579 5.349 6.894
8 HG23 VAL 29 HXT VAL 29 61.485 4.777 8.153
9 HA VAL 29 HB1 VAL 29 64.416 7.146 7.986
No H/Q in entry = 9
Start of MODEL 16
1 H ASP 30 H ASP 30 62.683 8.604 7.719
2 HA ASP 30 HB1 ASP 30 61.374 9.635 10.214
3 HB3 ASP 30 HG3 ASP 30 62.024 11.319 7.800
4 HB2 ASP 30 HG2 ASP 30 63.260 10.999 9.016
No H/Q in entry = 4
Start of MODEL 16
1 HB2 PRO 31 HG2 PRO 31 56.398 8.534 9.775
2 HB3 PRO 31 HG3 PRO 31 56.627 7.028 8.866
3 HG2 PRO 31 HD2 PRO 31 57.625 7.379 11.327
4 HG3 PRO 31 HD3 PRO 31 58.442 6.399 10.100
5 HD2 PRO 31 HD3 PRO 31 59.100 9.128 11.081
6 HD3 PRO 31 HXT PRO 31 60.180 7.826 10.534
7 HA PRO 31 HB1 PRO 31 58.130 7.991 7.426
No H/Q in entry = 7
Start of MODEL 16
1 H GLN 32 H GLN 32 57.849 10.870 9.515
2 HB2 GLN 32 HG2 GLN 32 55.930 12.105 10.532
3 HB3 GLN 32 HG3 GLN 32 57.233 13.226 10.138
4 HE21 GLN 32 HE22 GLN 32 54.883 16.459 10.268
5 HE22 GLN 32 HXT GLN 32 54.779 16.375 11.961
6 HA GLN 32 HB1 GLN 32 55.504 11.864 8.043
7 HG3 GLN 32 HD3 GLN 32 54.325 13.569 9.347
8 HG2 GLN 32 HD2 GLN 32 55.632 14.689 8.966
No H/Q in entry = 8
Start of MODEL 16
1 H GLU 33 H GLU 33 58.980 12.418 8.037
2 HB2 GLU 33 HG2 GLU 33 61.052 13.036 7.270
3 HB3 GLU 33 HG3 GLU 33 61.276 14.423 6.205
4 HA GLU 33 HB1 GLU 33 58.765 14.690 6.166
5 HG3 GLU 33 HD3 GLU 33 59.931 14.454 8.922
6 HG2 GLU 33 HD2 GLU 33 60.044 15.842 7.841
No H/Q in entry = 6
Start of MODEL 16
1 H CYS 34 H CYS 34 58.240 11.423 5.736
2 HG CYS 34 HXT CYS 34 55.823 11.855 2.352
3 HA CYS 34 HB1 CYS 34 58.474 9.909 3.945
4 HB3 CYS 34 HG3 CYS 34 58.380 11.229 1.697
5 HB2 CYS 34 HG2 CYS 34 58.261 12.658 2.725
No H/Q in entry = 5
Start of MODEL 16
1 H THR 35 H THR 35 60.993 10.556 5.209
2 HG1 THR 35 HG21 THR 35 63.516 12.829 6.034
3 HG21 THR 35 HG22 THR 35 62.002 12.590 2.644
4 HG22 THR 35 HG23 THR 35 62.219 13.830 3.879
5 HG23 THR 35 HXT THR 35 63.530 13.463 2.760
6 HA THR 35 HB1 THR 35 62.856 10.441 2.860
7 HB THR 35 HG12 THR 35 64.326 11.991 4.259
No H/Q in entry = 7
Start of MODEL 16
1 H ILE 36 H ILE 36 64.813 9.277 3.295
2 HB ILE 36 HG12 ILE 36 65.408 5.817 4.868
3 HG12 ILE 36 HG13 ILE 36 64.335 7.163 2.371
4 HG13 ILE 36 HG21 ILE 36 66.054 6.864 2.627
5 HG21 ILE 36 HG22 ILE 36 63.123 6.864 5.651
6 HG22 ILE 36 HG23 ILE 36 62.761 6.876 3.925
7 HD11 ILE 36 HD12 ILE 36 64.059 4.629 2.928
8 HD12 ILE 36 HD13 ILE 36 64.666 5.077 1.334
9 HG23 ILE 36 HXT ILE 36 63.128 5.355 4.739
10 HD13 ILE 36 HXT ILE 36 65.786 4.530 2.583
11 HA ILE 36 HB1 ILE 36 65.097 8.028 5.988
No H/Q in entry = 11
Start of MODEL 16
1 H ALA 37 H ALA 37 67.292 7.126 6.305
2 HA ALA 37 HB1 ALA 37 69.323 7.997 4.287
3 HB1 ALA 37 HB2 ALA 37 68.870 9.456 6.471
4 HB2 ALA 37 HB3 ALA 37 70.514 9.189 5.893
5 HB3 ALA 37 HXT ALA 37 69.881 8.224 7.228
No H/Q in entry = 5
Start of MODEL 16
1 H LEU 38 H LEU 38 70.684 6.342 3.807
2 HD11 LEU 38 HD12 LEU 38 69.456 3.748 1.116
3 HD12 LEU 38 HD13 LEU 38 69.459 2.092 1.722
4 HD13 LEU 38 HD21 LEU 38 67.957 3.016 1.688
5 HD21 LEU 38 HD22 LEU 38 69.471 1.808 4.440
6 HD22 LEU 38 HD23 LEU 38 68.569 3.113 5.209
7 HG LEU 38 HXT LEU 38 68.837 4.554 3.384
8 HD23 LEU 38 HXT LEU 38 67.831 2.179 3.910
9 HA LEU 38 HB1 LEU 38 70.668 3.928 5.586
10 HB3 LEU 38 HG3 LEU 38 71.278 2.758 3.464
11 HB2 LEU 38 HG2 LEU 38 71.237 4.307 2.624
No H/Q in entry = 11
Start of MODEL 16
1 H SER 39 H SER 39 72.704 2.955 6.091
2 HG SER 39 HXT SER 39 74.487 2.691 9.025
3 HA SER 39 HB1 SER 39 75.096 4.689 5.536
4 HB3 SER 39 HG3 SER 39 74.211 4.699 7.877
5 HB2 SER 39 HG2 SER 39 75.834 4.022 7.786
No H/Q in entry = 5
Start of MODEL 16
1 H SER 40 H SER 40 77.125 3.491 5.291
2 HG SER 40 HXT SER 40 76.045 0.227 6.541
3 HA SER 40 HB1 SER 40 78.284 1.904 3.982
4 HB3 SER 40 HG3 SER 40 78.041 0.992 6.361
5 HB2 SER 40 HG2 SER 40 78.394 -0.200 5.118
No H/Q in entry = 5
Start of MODEL 16
1 H VAL 41 H VAL 41 77.130 2.357 2.009
2 HB VAL 41 HG12 VAL 41 74.040 2.208 1.816
3 HG11 VAL 41 HG12 VAL 41 75.905 3.793 1.247
4 HG12 VAL 41 HG13 VAL 41 75.523 3.544 -0.459
5 HG13 VAL 41 HG21 VAL 41 74.333 4.284 0.611
6 HG21 VAL 41 HG22 VAL 41 74.066 1.144 -0.967
7 HG22 VAL 41 HG23 VAL 41 72.757 1.188 0.212
8 HG23 VAL 41 HXT VAL 41 73.163 2.635 -0.708
9 HA VAL 41 HB1 VAL 41 75.297 0.152 1.161
No H/Q in entry = 9
Start of MODEL 16
1 H ARG 42 H ARG 42 75.497 -0.406 -1.059
2 HB2 ARG 42 HG2 ARG 42 78.477 -1.200 -3.298
3 HB3 ARG 42 HG3 ARG 42 78.559 -0.973 -1.554
4 HG2 ARG 42 HD2 ARG 42 76.374 -2.216 -1.361
5 HG3 ARG 42 HD3 ARG 42 76.485 -2.569 -3.086
6 HD2 ARG 42 HD3 ARG 42 78.706 -3.660 -2.679
7 HE ARG 42 HH12 ARG 42 76.111 -4.624 -1.722
8 HH11 ARG 42 HH21 ARG 42 79.494 -5.439 -2.109
9 HH12 ARG 42 HH22 ARG 42 79.182 -7.139 -2.139
10 HD3 ARG 42 HXT ARG 42 78.466 -3.410 -0.939
11 HH21 ARG 42 HXT ARG 42 75.759 -6.830 -1.765
12 HH22 ARG 42 H1 ARG 42 77.092 -7.919 -1.946
13 HA ARG 42 HB1 ARG 42 77.597 1.027 -2.637
No H/Q in entry = 13
Start of MODEL 16
1 H SER 43 H SER 43 77.282 0.865 -4.949
2 HG SER 43 HXT SER 43 76.668 2.581 -7.985
3 HA SER 43 HB1 SER 43 74.496 0.085 -5.738
4 HB3 SER 43 HG3 SER 43 75.270 2.479 -5.910
5 HB2 SER 43 HG2 SER 43 74.762 1.795 -7.450
No H/Q in entry = 5
Start of MODEL 16
1 H PHE 44 H PHE 44 74.222 -1.309 -7.514
2 HD1 PHE 44 HD2 PHE 44 75.862 -5.678 -7.580
3 HD2 PHE 44 HE1 PHE 44 72.537 -3.033 -6.782
4 HE1 PHE 44 HE2 PHE 44 75.421 -6.879 -5.436
5 HE2 PHE 44 HZ PHE 44 72.096 -4.232 -4.638
6 HZ PHE 44 HXT PHE 44 73.538 -6.155 -3.965
7 HA PHE 44 HB1 PHE 44 76.522 -3.043 -8.109
8 HB3 PHE 44 HG3 PHE 44 74.716 -4.274 -9.392
9 HB2 PHE 44 HG2 PHE 44 73.605 -3.009 -8.903
No H/Q in entry = 9
Start of MODEL 16
1 H GLY 45 H GLY 45 74.433 -0.788 -9.932
2 HA2 GLY 45 HA3 GLY 45 75.779 -1.219 -12.462
3 HA3 GLY 45 HXT GLY 45 76.403 0.195 -11.620
No H/Q in entry = 3
Start of MODEL 16
1 H THR 46 H THR 46 75.493 1.274 -13.598
2 HG1 THR 46 HG21 THR 46 75.795 3.245 -13.454
3 HG21 THR 46 HG22 THR 46 73.037 3.225 -11.767
4 HG22 THR 46 HG23 THR 46 74.661 3.908 -11.803
5 HG23 THR 46 HXT THR 46 73.281 4.893 -12.286
6 HA THR 46 HB1 THR 46 72.546 1.788 -13.328
7 HB THR 46 HG12 THR 46 73.240 4.028 -14.384
No H/Q in entry = 7
Start of MODEL 16
1 H GLU 47 H GLU 47 74.466 -0.019 -15.194
2 HB2 GLU 47 HG2 GLU 47 74.895 -1.339 -18.454
3 HB3 GLU 47 HG3 GLU 47 75.751 -1.046 -16.942
4 HA GLU 47 HB1 GLU 47 74.740 1.033 -17.748
5 HG3 GLU 47 HD3 GLU 47 72.978 -2.249 -17.229
6 HG2 GLU 47 HD2 GLU 47 73.755 -1.873 -15.691
No H/Q in entry = 6
Start of MODEL 16
1 H ASP 48 H ASP 48 71.765 -0.216 -16.337
2 HA ASP 48 HB1 ASP 48 70.336 -0.737 -18.789
3 HB3 ASP 48 HG3 ASP 48 68.351 -0.545 -17.242
4 HB2 ASP 48 HG2 ASP 48 69.451 0.020 -15.985
No H/Q in entry = 4
Start of MODEL 16
1 H ARG 49 H ARG 49 69.965 2.036 -16.535
2 HB2 ARG 49 HG2 ARG 49 69.189 4.064 -15.750
3 HB3 ARG 49 HG3 ARG 49 68.455 5.267 -16.811
4 HG2 ARG 49 HD2 ARG 49 67.482 2.409 -16.754
5 HG3 ARG 49 HD3 ARG 49 66.859 3.620 -15.634
6 HD2 ARG 49 HD3 ARG 49 66.879 4.039 -18.640
7 HE ARG 49 HH12 ARG 49 66.501 5.823 -16.558
8 HH11 ARG 49 HH21 ARG 49 64.377 4.496 -19.004
9 HH12 ARG 49 HH22 ARG 49 63.358 5.892 -19.014
10 HD3 ARG 49 HXT ARG 49 65.494 3.359 -17.764
11 HH21 ARG 49 HXT ARG 49 65.157 7.603 -16.609
12 HH22 ARG 49 H1 ARG 49 63.793 7.632 -17.676
13 HA ARG 49 HB1 ARG 49 68.877 3.699 -18.743
No H/Q in entry = 13
Start of MODEL 16
1 H ASP 50 H ASP 50 71.928 2.931 -18.107
2 HA ASP 50 HB1 ASP 50 73.269 5.221 -17.099
3 HB3 ASP 50 HG3 ASP 50 74.231 2.956 -17.298
4 HB2 ASP 50 HG2 ASP 50 75.266 4.143 -18.081
No H/Q in entry = 4
Start of MODEL 16
1 H THR 51 H THR 51 74.912 6.496 -18.449
2 HG1 THR 51 HG21 THR 51 77.358 7.893 -19.719
3 HG21 THR 51 HG22 THR 51 73.768 9.586 -19.252
4 HG22 THR 51 HG23 THR 51 74.723 8.966 -17.905
5 HG23 THR 51 HXT THR 51 75.296 10.356 -18.826
6 HA THR 51 HB1 THR 51 73.621 7.872 -20.684
7 HB THR 51 HG12 THR 51 75.894 9.052 -20.668
No H/Q in entry = 7
Start of MODEL 16
1 H GLN 52 H GLN 52 74.754 8.086 -22.814
2 HB2 GLN 52 HG2 GLN 52 75.665 6.730 -25.990
3 HB3 GLN 52 HG3 GLN 52 74.204 7.154 -25.103
4 HE21 GLN 52 HE22 GLN 52 73.918 10.447 -24.417
5 HE22 GLN 52 HXT GLN 52 73.221 10.842 -25.913
6 HA GLN 52 HB1 GLN 52 75.580 5.490 -23.869
7 HG3 GLN 52 HD3 GLN 52 76.670 8.795 -25.601
8 HG2 GLN 52 HD2 GLN 52 75.722 9.103 -24.149
No H/Q in entry = 8
Start of MODEL 16
1 H PHE 53 H PHE 53 77.327 7.790 -22.125
2 HD1 PHE 53 HD2 PHE 53 77.774 9.406 -23.845
3 HD2 PHE 53 HE1 PHE 53 81.900 10.187 -22.806
4 HE1 PHE 53 HE2 PHE 53 77.936 11.049 -25.716
5 HE2 PHE 53 HZ PHE 53 82.059 11.829 -24.679
6 HZ PHE 53 HXT PHE 53 80.077 12.260 -26.133
7 HA PHE 53 HB1 PHE 53 79.900 7.037 -23.430
8 HB3 PHE 53 HG3 PHE 53 80.684 8.658 -21.547
9 HB2 PHE 53 HG2 PHE 53 78.980 9.033 -21.370
No H/Q in entry = 9
Start of MODEL 16
1 H GLN 54 H GLN 54 81.544 5.976 -22.130
2 HB2 GLN 54 HG2 GLN 54 82.586 3.860 -21.998
3 HB3 GLN 54 HG3 GLN 54 83.352 4.829 -20.740
4 HE21 GLN 54 HE22 GLN 54 83.789 0.583 -21.212
5 HE22 GLN 54 HXT GLN 54 85.459 0.878 -21.288
6 HA GLN 54 HB1 GLN 54 80.507 3.792 -20.560
7 HG3 GLN 54 HD3 GLN 54 82.254 2.020 -20.425
8 HG2 GLN 54 HD2 GLN 54 82.896 2.999 -19.105
No H/Q in entry = 8
Start of MODEL 16
1 H ILE 55 H ILE 55 80.340 3.545 -18.344
2 HB ILE 55 HG12 ILE 55 79.121 3.648 -16.180
3 HG12 ILE 55 HG13 ILE 55 78.660 6.597 -16.723
4 HG13 ILE 55 HG21 ILE 55 78.616 5.373 -17.991
5 HG21 ILE 55 HG22 ILE 55 80.163 4.609 -14.102
6 HG22 ILE 55 HG23 ILE 55 79.603 6.202 -14.613
7 HD11 ILE 55 HD12 ILE 55 76.884 4.143 -16.612
8 HD12 ILE 55 HD13 ILE 55 76.824 5.555 -15.557
9 HG23 ILE 55 HXT ILE 55 78.435 4.935 -14.237
10 HD13 ILE 55 HXT ILE 55 76.350 5.698 -17.249
11 HA ILE 55 HB1 ILE 55 81.188 5.846 -16.616
No H/Q in entry = 11
Start of MODEL 16
1 H ALA 56 H ALA 56 82.687 5.444 -15.008
2 HA ALA 56 HB1 ALA 56 84.052 2.839 -15.004
3 HB1 ALA 56 HB2 ALA 56 84.446 5.570 -13.808
4 HB2 ALA 56 HB3 ALA 56 85.390 4.214 -13.191
5 HB3 ALA 56 HXT ALA 56 85.508 4.670 -14.891
No H/Q in entry = 5
Start of MODEL 16
1 HB2 PRO 57 HG2 PRO 57 83.761 -0.466 -10.486
2 HB3 PRO 57 HG3 PRO 57 82.751 -0.843 -11.894
3 HG2 PRO 57 HD2 PRO 57 85.562 0.107 -11.784
4 HG3 PRO 57 HD3 PRO 57 84.799 -1.041 -12.894
5 HD2 PRO 57 HD3 PRO 57 85.369 1.536 -13.560
6 HD3 PRO 57 HXT PRO 57 84.034 0.610 -14.281
7 HA PRO 57 HB1 PRO 57 81.843 1.238 -11.499
No H/Q in entry = 7
Start of MODEL 16
1 H GLN 58 H GLN 58 81.873 1.381 -9.141
2 HB2 GLN 58 HG2 GLN 58 81.444 1.708 -6.899
3 HB3 GLN 58 HG3 GLN 58 82.110 3.101 -6.045
4 HE21 GLN 58 HE22 GLN 58 79.168 5.556 -7.219
5 HE22 GLN 58 HXT GLN 58 78.053 4.796 -6.191
6 HA GLN 58 HB1 GLN 58 83.447 3.635 -8.121
7 HG3 GLN 58 HD3 GLN 58 80.570 3.222 -8.657
8 HG2 GLN 58 HD2 GLN 58 81.215 4.606 -7.775
No H/Q in entry = 8
Start of MODEL 16
1 H SER 59 H SER 59 85.315 3.487 -6.933
2 HG SER 59 HXT SER 59 88.111 1.276 -8.074
3 HA SER 59 HB1 SER 59 86.411 0.774 -6.367
4 HB3 SER 59 HG3 SER 59 88.520 2.156 -6.072
5 HB2 SER 59 HG2 SER 59 87.570 3.570 -6.519
No H/Q in entry = 5
Start of MODEL 16
1 H GLN 60 H GLN 60 84.310 2.043 -4.643
2 HB2 GLN 60 HG2 GLN 60 86.509 3.756 -2.695
3 HB3 GLN 60 HG3 GLN 60 84.896 4.468 -2.705
4 HE21 GLN 60 HE22 GLN 60 85.191 5.499 1.233
5 HE22 GLN 60 HXT GLN 60 86.271 6.752 0.851
6 HA GLN 60 HB1 GLN 60 85.415 1.550 -2.030
7 HG3 GLN 60 HD3 GLN 60 86.185 3.102 -0.323
8 HG2 GLN 60 HD2 GLN 60 84.591 3.857 -0.344
No H/Q in entry = 8
Start of MODEL 16
1 H ILE 61 H ILE 61 83.784 1.954 -0.330
2 HB ILE 61 HG12 ILE 61 82.158 1.315 1.355
3 HG12 ILE 61 HG13 ILE 61 83.113 -0.256 -0.275
4 HG13 ILE 61 HG21 ILE 61 81.962 -1.094 0.760
5 HG21 ILE 61 HG22 ILE 61 79.450 0.818 0.111
6 HG22 ILE 61 HG23 ILE 61 79.996 -0.057 1.541
7 HD11 ILE 61 HD12 ILE 61 80.422 -0.152 -1.397
8 HD12 ILE 61 HD13 ILE 61 81.915 -0.743 -2.127
9 HG23 ILE 61 HXT ILE 61 79.827 1.697 1.593
10 HD13 ILE 61 HXT ILE 61 80.942 -1.814 -1.121
11 HA ILE 61 HB1 ILE 61 81.016 1.812 -1.419
No H/Q in entry = 11
Start of MODEL 16
1 H TYR 62 H TYR 62 79.317 3.128 -0.393
2 HD1 TYR 62 HD2 TYR 62 79.584 4.124 -2.395
3 HD2 TYR 62 HE1 TYR 62 77.767 7.926 -1.424
4 HE1 TYR 62 HE2 TYR 62 80.151 4.977 -4.672
5 HE2 TYR 62 HH TYR 62 78.332 8.778 -3.700
6 HH TYR 62 HXT TYR 62 80.179 8.160 -5.495
7 HA TYR 62 HB1 TYR 62 80.286 5.842 0.329
8 HB3 TYR 62 HG3 TYR 62 77.720 6.207 0.143
9 HB2 TYR 62 HG2 TYR 62 77.681 4.570 -0.487
No H/Q in entry = 9
Start of MODEL 16
1 H ASP 63 H ASP 63 80.651 6.148 2.490
2 HA ASP 63 HB1 ASP 63 79.782 4.676 4.706
3 HB3 ASP 63 HG3 ASP 63 80.193 6.842 5.932
4 HB2 ASP 63 HG2 ASP 63 80.324 7.636 4.363
No H/Q in entry = 4
Start of MODEL 16
1 H TYR 64 H TYR 64 78.092 7.409 3.134
2 HD1 TYR 64 HD2 TYR 64 74.247 9.885 4.058
3 HD2 TYR 64 HE1 TYR 64 75.593 8.222 7.817
4 HE1 TYR 64 HE2 TYR 64 72.138 10.641 5.145
5 HE2 TYR 64 HH TYR 64 73.480 8.982 8.901
6 HH TYR 64 HXT TYR 64 71.722 10.960 8.340
7 HA TYR 64 HB1 TYR 64 75.559 6.680 4.498
8 HB3 TYR 64 HG3 TYR 64 76.844 9.408 4.767
9 HB2 TYR 64 HG2 TYR 64 77.005 8.153 5.978
No H/Q in entry = 9
Start of MODEL 16
1 H ILE 65 H ILE 65 73.952 6.943 3.003
2 HB ILE 65 HG12 ILE 65 73.095 6.451 0.592
3 HG12 ILE 65 HG13 ILE 65 75.491 7.924 -0.563
4 HG13 ILE 65 HG21 ILE 65 75.580 6.651 0.653
5 HG21 ILE 65 HG22 ILE 65 73.242 8.893 -1.211
6 HG22 ILE 65 HG23 ILE 65 72.857 7.266 -1.771
7 HD11 ILE 65 HD12 ILE 65 74.153 5.309 -1.157
8 HD12 ILE 65 HD13 ILE 65 74.924 6.450 -2.260
9 HG23 ILE 65 HXT ILE 65 71.775 8.092 -0.649
10 HD13 ILE 65 HXT ILE 65 75.912 5.387 -1.260
11 HA ILE 65 HB1 ILE 65 74.160 9.257 1.095
No H/Q in entry = 11
Start of MODEL 16
1 H LEU 66 H LEU 66 72.457 10.634 1.298
2 HD11 LEU 66 HD12 LEU 66 69.930 11.777 4.877
3 HD12 LEU 66 HD13 LEU 66 68.290 12.427 4.882
4 HD13 LEU 66 HD21 LEU 66 68.595 10.810 4.249
5 HD21 LEU 66 HD22 LEU 66 69.639 14.335 2.118
6 HD22 LEU 66 HD23 LEU 66 68.253 14.297 3.207
7 HG LEU 66 HXT LEU 66 68.420 12.092 2.292
8 HD23 LEU 66 HXT LEU 66 69.889 14.225 3.861
9 HA LEU 66 HB1 LEU 66 70.070 9.854 2.869
10 HB3 LEU 66 HG3 LEU 66 70.812 12.465 1.509
11 HB2 LEU 66 HG2 LEU 66 71.328 12.021 3.136
No H/Q in entry = 11
Start of MODEL 16
1 H PHE 67 H PHE 67 68.039 9.533 1.947
2 HD1 PHE 67 HD2 PHE 67 68.285 8.873 -2.682
3 HD2 PHE 67 HE1 PHE 67 69.098 5.774 0.220
4 HE1 PHE 67 HE2 PHE 67 70.098 7.984 -4.132
5 HE2 PHE 67 HZ PHE 67 70.928 4.895 -1.230
6 HZ PHE 67 HXT PHE 67 71.429 6.002 -3.411
7 HA PHE 67 HB1 PHE 67 67.770 9.888 -1.014
8 HB3 PHE 67 HG3 PHE 67 66.503 7.572 -0.672
9 HB2 PHE 67 HG2 PHE 67 67.555 7.464 0.726
No H/Q in entry = 9
Start of MODEL 16
1 H ARG 68 H ARG 68 65.894 10.957 -1.476
2 HB2 ARG 68 HG2 ARG 68 64.218 12.349 -2.198
3 HB3 ARG 68 HG3 ARG 68 62.785 12.683 -1.224
4 HG2 ARG 68 HD2 ARG 68 64.272 13.418 0.641
5 HG3 ARG 68 HD3 ARG 68 65.665 13.183 -0.415
6 HD2 ARG 68 HD3 ARG 68 64.614 14.809 -2.042
7 HE ARG 68 HH12 ARG 68 65.023 16.313 0.434
8 HH11 ARG 68 HH21 ARG 68 66.567 14.279 -1.960
9 HH12 ARG 68 HH22 ARG 68 68.138 14.925 -1.639
10 HD3 ARG 68 HXT ARG 68 63.386 15.151 -0.808
11 HH21 ARG 68 HXT ARG 68 67.076 17.115 0.817
12 HH22 ARG 68 H1 ARG 68 68.426 16.511 -0.085
13 HA ARG 68 HB1 ARG 68 63.701 11.095 0.514
No H/Q in entry = 13
Start of MODEL 16
1 H GLY 69 H GLY 69 61.582 10.285 0.079
2 HA2 GLY 69 HA3 GLY 69 59.971 8.844 -0.831
3 HA3 GLY 69 HXT GLY 69 61.323 7.876 -1.414
No H/Q in entry = 3
Start of MODEL 16
1 H SER 70 H SER 70 61.102 11.204 -2.443
2 HG SER 70 HXT SER 70 59.029 13.598 -3.694
3 HA SER 70 HB1 SER 70 59.365 10.874 -4.713
4 HB3 SER 70 HG3 SER 70 60.247 13.080 -5.327
5 HB2 SER 70 HG2 SER 70 61.598 12.866 -4.219
No H/Q in entry = 5
Start of MODEL 16
1 H ASP 71 H ASP 71 62.926 10.699 -4.388
2 HA ASP 71 HB1 ASP 71 63.275 10.378 -7.292
3 HB3 ASP 71 HG3 ASP 71 64.873 11.654 -5.932
4 HB2 ASP 71 HG2 ASP 71 65.675 10.275 -6.674
No H/Q in entry = 4
Start of MODEL 16
1 H ILE 72 H ILE 72 63.322 8.277 -4.426
2 HB ILE 72 HG12 ILE 72 64.039 6.540 -3.237
3 HG12 ILE 72 HG13 ILE 72 66.084 5.126 -4.923
4 HG13 ILE 72 HG21 ILE 72 65.868 6.864 -5.117
5 HG21 ILE 72 HG22 ILE 72 64.220 3.776 -4.490
6 HG22 ILE 72 HG23 ILE 72 64.612 4.169 -2.817
7 HD11 ILE 72 HD12 ILE 72 66.247 5.615 -2.401
8 HD12 ILE 72 HD13 ILE 72 67.621 6.091 -3.406
9 HG23 ILE 72 HXT ILE 72 62.952 4.319 -3.391
10 HD13 ILE 72 HXT ILE 72 66.454 7.301 -2.870
11 HA ILE 72 HB1 ILE 72 63.891 5.934 -6.184
No H/Q in entry = 11
Start of MODEL 16
1 H LYS 73 H LYS 73 62.397 4.256 -6.426
2 HB2 LYS 73 HG2 LYS 73 60.585 4.993 -8.250
3 HB3 LYS 73 HG3 LYS 73 60.680 3.249 -7.998
4 HG2 LYS 73 HG3 LYS 73 58.262 3.132 -7.654
5 HG3 LYS 73 HD2 LYS 73 58.134 4.885 -7.797
6 HD2 LYS 73 HD3 LYS 73 57.532 4.005 -9.939
7 HE2 LYS 73 HE3 LYS 73 60.140 2.485 -10.113
8 HE3 LYS 73 HZ1 LYS 73 58.690 1.740 -9.410
9 HZ1 LYS 73 HZ2 LYS 73 58.833 3.055 -12.073
10 HZ2 LYS 73 HZ3 LYS 73 58.792 1.377 -11.810
11 HD3 LYS 73 HXT LYS 73 59.167 4.644 -10.117
12 HZ3 LYS 73 HXT LYS 73 57.454 2.331 -11.393
13 HA LYS 73 HB1 LYS 73 59.600 5.177 -5.928
No H/Q in entry = 13
Start of MODEL 16
1 H ASP 74 H ASP 74 61.809 2.543 -5.194
2 HA ASP 74 HB1 ASP 74 59.568 1.144 -3.823
3 HB3 ASP 74 HG3 ASP 74 61.362 -0.240 -5.840
4 HB2 ASP 74 HG2 ASP 74 59.743 0.350 -6.221
No H/Q in entry = 4
Start of MODEL 16
1 H ILE 75 H ILE 75 60.237 0.406 -1.888
2 HB ILE 75 HG12 ILE 75 62.621 1.898 -0.614
3 HG12 ILE 75 HG13 ILE 75 62.857 -0.046 1.691
4 HG13 ILE 75 HG21 ILE 75 64.174 0.223 0.549
5 HG21 ILE 75 HG22 ILE 75 60.207 1.574 -0.195
6 HG22 ILE 75 HG23 ILE 75 60.587 0.454 1.113
7 HD11 ILE 75 HD12 ILE 75 63.744 2.760 1.082
8 HD12 ILE 75 HD13 ILE 75 62.976 2.128 2.537
9 HG23 ILE 75 HXT ILE 75 61.034 2.155 1.250
10 HD13 ILE 75 HXT ILE 75 64.674 1.781 2.215
11 HA ILE 75 HB1 ILE 75 63.112 -0.358 -1.528
No H/Q in entry = 11
Start of MODEL 16
1 H ARG 76 H ARG 76 63.391 -2.277 -0.362
2 HB2 ARG 76 HG2 ARG 76 62.548 -4.674 -1.241
3 HB3 ARG 76 HG3 ARG 76 61.471 -5.586 -0.182
4 HG2 ARG 76 HD2 ARG 76 59.663 -3.899 -0.725
5 HG3 ARG 76 HD3 ARG 76 60.746 -3.236 -1.949
6 HD2 ARG 76 HD3 ARG 76 59.283 -4.837 -3.049
7 HE ARG 76 HH12 ARG 76 59.246 -6.135 -0.598
8 HH11 ARG 76 HH21 ARG 76 59.999 -7.146 -3.864
9 HH12 ARG 76 HH22 ARG 76 59.495 -8.775 -3.580
10 HD3 ARG 76 HXT ARG 76 60.894 -5.575 -2.941
11 HH21 ARG 76 HXT ARG 76 58.605 -8.250 -0.280
12 HH22 ARG 76 H1 ARG 76 58.714 -9.396 -1.575
13 HA ARG 76 HB1 ARG 76 61.074 -3.439 1.106
No H/Q in entry = 13
Start of MODEL 16
1 H VAL 77 H VAL 77 61.768 -4.434 2.954
2 HB VAL 77 HG12 VAL 77 63.089 -3.685 5.107
3 HG11 VAL 77 HG12 VAL 77 61.811 -6.421 4.967
4 HG12 VAL 77 HG13 VAL 77 61.604 -5.371 6.365
5 HG13 VAL 77 HG21 VAL 77 61.046 -4.845 4.779
6 HG21 VAL 77 HG22 VAL 77 65.185 -5.097 5.736
7 HG22 VAL 77 HG23 VAL 77 64.035 -4.689 7.008
8 HG23 VAL 77 HXT VAL 77 64.016 -6.298 6.284
9 HA VAL 77 HB1 VAL 77 64.665 -4.673 3.472
No H/Q in entry = 9
Start of MODEL 16
1 H VAL 78 H VAL 78 65.729 -6.663 3.913
2 HB VAL 78 HG12 VAL 78 67.271 -8.490 3.648
3 HG11 VAL 78 HG12 VAL 78 65.964 -10.824 2.251
4 HG12 VAL 78 HG13 VAL 78 67.674 -10.466 2.010
5 HG13 VAL 78 HG21 VAL 78 67.071 -10.842 3.625
6 HG21 VAL 78 HG22 VAL 78 65.836 -8.279 0.995
7 HG22 VAL 78 HG23 VAL 78 66.825 -7.063 1.802
8 HG23 VAL 78 HXT VAL 78 67.586 -8.480 1.082
9 HA VAL 78 HB1 VAL 78 64.418 -9.070 2.762
No H/Q in entry = 9
Start of MODEL 16
1 H ASN 79 H ASN 79 63.660 -10.684 4.075
2 HD21 ASN 79 HD22 ASN 79 61.576 -9.376 8.781
3 HD22 ASN 79 HXT ASN 79 61.775 -10.558 9.984
4 HA ASN 79 HB1 ASN 79 64.755 -10.972 6.839
5 HB3 ASN 79 HG3 ASN 79 61.802 -10.903 6.154
6 HB2 ASN 79 HG2 ASN 79 62.691 -9.491 6.726
No H/Q in entry = 6
Start of MODEL 16
1 H ASN 80 H ASN 80 64.801 -13.126 7.521
2 HD21 ASN 80 HD22 ASN 80 66.522 -15.914 5.586
3 HD22 ASN 80 HXT ASN 80 67.999 -15.311 6.166
4 HA ASN 80 HB1 ASN 80 64.586 -15.247 5.591
5 HB3 ASN 80 HG3 ASN 80 64.882 -16.667 7.655
6 HB2 ASN 80 HG2 ASN 80 64.690 -15.206 8.624
No H/Q in entry = 6
Start of MODEL 16
1 H HIS 81 H HIS 81 62.352 -14.002 8.045
2 HD1 HIS 81 HD2 HIS 81 62.951 -14.848 9.929
3 HD2 HIS 81 HE1 HIS 81 59.071 -14.010 11.203
4 HE1 HIS 81 HE2 HIS 81 63.167 -13.242 11.876
5 HA HIS 81 HB1 HIS 81 60.222 -15.805 6.937
6 HB3 HIS 81 HG3 HIS 81 61.001 -16.578 9.115
7 HB2 HIS 81 HG2 HIS 81 59.374 -15.944 9.255
No H/Q in entry = 7
Start of MODEL 16
1 H THR 82 H THR 82 58.149 -14.841 6.754
2 HG1 THR 82 HG21 THR 82 56.258 -13.728 4.129
3 HG21 THR 82 HG22 THR 82 59.155 -11.606 5.276
4 HG22 THR 82 HG23 THR 82 59.164 -13.183 4.484
5 HG23 THR 82 HXT THR 82 58.348 -11.817 3.723
6 HA THR 82 HB1 THR 82 58.032 -11.879 7.250
7 HB THR 82 HG12 THR 82 56.549 -11.893 5.208
No H/Q in entry = 7
Start of MODEL 16
1 H LEU 83 H LEU 83 55.806 -11.074 7.659
2 HD11 LEU 83 HD12 LEU 83 56.824 -10.909 10.411
3 HD12 LEU 83 HD13 LEU 83 57.054 -12.036 11.748
4 HD13 LEU 83 HD21 LEU 83 56.848 -12.646 10.107
5 HD21 LEU 83 HD22 LEU 83 53.624 -11.074 12.384
6 HD22 LEU 83 HD23 LEU 83 54.956 -11.929 13.163
7 HG LEU 83 HXT LEU 83 54.717 -12.967 11.030
8 HD23 LEU 83 HXT LEU 83 55.228 -10.343 12.444
9 HA LEU 83 HB1 LEU 83 54.078 -13.141 8.988
10 HB3 LEU 83 HG3 LEU 83 53.349 -10.895 10.202
11 HB2 LEU 83 HG2 LEU 83 54.906 -10.321 9.606
No H/Q in entry = 11
Start of MODEL 16
1 HB2 PRO 84 HG2 PRO 84 48.878 -11.654 8.641
2 HB3 PRO 84 HG3 PRO 84 48.850 -12.898 7.380
3 HG2 PRO 84 HD2 PRO 84 49.514 -13.420 9.938
4 HG3 PRO 84 HD3 PRO 84 50.171 -14.321 8.565
5 HD2 PRO 84 HD3 PRO 84 51.457 -12.218 10.232
6 HD3 PRO 84 HXT PRO 84 52.168 -13.660 9.471
7 HA PRO 84 HB1 PRO 84 50.710 -12.042 6.361
No H/Q in entry = 7
Start of MODEL 17
1 H1 GLY -3 H1 GLY -3 44.971 2.058 23.353
2 H2 GLY -3 H2 GLY -3 43.696 1.299 22.525
3 H3 GLY -3 H3 GLY -3 45.091 0.419 22.931
4 HA2 GLY -3 HA3 GLY -3 44.923 2.659 20.990
5 HA3 GLY -3 HXT GLY -3 45.153 0.953 20.602
No H/Q in entry = 5
Start of MODEL 17
1 H ALA -2 H ALA -2 47.149 -0.074 21.474
2 HA ALA -2 HB1 ALA -2 49.348 1.842 22.126
3 HB1 ALA -2 HB2 ALA -2 50.476 -0.230 22.896
4 HB2 ALA -2 HB3 ALA -2 48.889 -0.051 23.646
5 HB3 ALA -2 HXT ALA -2 49.110 -1.180 22.310
No H/Q in entry = 5
Start of MODEL 17
1 H MET -1 H MET -1 51.191 1.959 20.806
2 HB2 MET -1 HG2 MET -1 50.982 3.142 18.375
3 HB3 MET -1 HG3 MET -1 52.621 3.021 19.016
4 HE1 MET -1 HE2 MET -1 50.596 4.229 16.351
5 HE2 MET -1 HE3 MET -1 51.235 5.407 17.495
6 HE3 MET -1 HXT MET -1 51.315 5.735 15.766
7 HA MET -1 HB1 MET -1 50.979 0.625 18.134
8 HG3 MET -1 HD3 MET -1 51.679 2.160 16.267
9 HG2 MET -1 HD2 MET -1 53.289 1.828 16.908
No H/Q in entry = 9
Start of MODEL 17
1 H ALA 0 H ALA 0 51.897 -1.338 19.382
2 HA ALA 0 HB1 ALA 0 54.832 -1.389 19.011
3 HB1 ALA 0 HB2 ALA 0 54.666 -0.603 21.276
4 HB2 ALA 0 HB3 ALA 0 53.394 -1.767 21.650
5 HB3 ALA 0 HXT ALA 0 55.046 -2.322 21.379
No H/Q in entry = 5
Start of MODEL 17
1 H MET 1 H MET 1 55.621 -3.563 18.801
2 HB2 MET 1 HG2 MET 1 56.314 -5.261 17.345
3 HB3 MET 1 HG3 MET 1 55.313 -6.666 16.981
4 HE1 MET 1 HE2 MET 1 56.973 -3.891 15.800
5 HE2 MET 1 HE3 MET 1 57.738 -5.360 15.178
6 HE3 MET 1 HXT MET 1 57.453 -3.990 14.109
7 HA MET 1 HB1 MET 1 53.483 -5.615 18.377
8 HG3 MET 1 HD3 MET 1 54.689 -3.781 16.292
9 HG2 MET 1 HD2 MET 1 53.580 -5.127 16.037
No H/Q in entry = 9
Start of MODEL 17
1 H SER 2 H SER 2 53.427 -7.362 19.738
2 HG SER 2 HXT SER 2 53.930 -6.936 23.291
3 HA SER 2 HB1 SER 2 55.574 -7.653 21.780
4 HB3 SER 2 HG3 SER 2 53.817 -9.169 22.798
5 HB2 SER 2 HG2 SER 2 52.769 -8.746 21.448
No H/Q in entry = 5
Start of MODEL 17
1 H GLY 3 H GLY 3 55.726 -8.636 18.844
2 HA2 GLY 3 HA3 GLY 3 55.485 -11.195 18.189
3 HA3 GLY 3 HXT GLY 3 56.634 -11.381 19.516
No H/Q in entry = 3
Start of MODEL 17
1 H GLY 4 H GLY 4 56.279 -9.130 16.743
2 HA2 GLY 4 HA3 GLY 4 57.800 -8.954 14.889
3 HA3 GLY 4 HXT GLY 4 58.958 -9.948 15.773
No H/Q in entry = 3
Start of MODEL 17
1 H LEU 5 H LEU 5 60.743 -8.646 15.949
2 HD11 LEU 5 HD12 LEU 5 62.033 -7.506 20.684
3 HD12 LEU 5 HD13 LEU 5 63.016 -8.900 20.233
4 HD13 LEU 5 HD21 LEU 5 63.484 -7.283 19.707
5 HD21 LEU 5 HD22 LEU 5 59.876 -8.686 19.348
6 HD22 LEU 5 HD23 LEU 5 60.426 -9.592 17.939
7 HG LEU 5 HXT LEU 5 62.461 -8.444 17.832
8 HD23 LEU 5 HXT LEU 5 61.110 -9.933 19.528
9 HA LEU 5 HB1 LEU 5 60.477 -5.760 16.471
10 HB3 LEU 5 HG3 LEU 5 60.192 -6.701 18.706
11 HB2 LEU 5 HG2 LEU 5 61.785 -5.957 18.612
No H/Q in entry = 11
Start of MODEL 17
1 HB2 PRO 6 HG2 PRO 6 63.422 -5.231 12.136
2 HB3 PRO 6 HG3 PRO 6 63.706 -6.959 11.858
3 HG2 PRO 6 HD2 PRO 6 61.255 -5.840 11.755
4 HG3 PRO 6 HD3 PRO 6 61.535 -7.517 12.246
5 HD2 PRO 6 HD3 PRO 6 60.907 -5.138 13.922
6 HD3 PRO 6 HXT PRO 6 60.421 -6.836 14.129
7 HA PRO 6 HB1 PRO 6 64.186 -7.331 14.063
No H/Q in entry = 7
Start of MODEL 17
1 H GLU 7 H GLU 7 66.036 -6.442 14.867
2 HB2 GLU 7 HG2 GLU 7 68.300 -5.808 15.019
3 HB3 GLU 7 HG3 GLU 7 68.694 -4.395 15.997
4 HA GLU 7 HB1 GLU 7 66.239 -3.823 16.028
5 HG3 GLU 7 HD3 GLU 7 66.863 -6.675 16.801
6 HG2 GLU 7 HD2 GLU 7 67.149 -5.226 17.767
No H/Q in entry = 6
Start of MODEL 17
1 H LEU 8 H LEU 8 67.319 -1.939 15.217
2 HD11 LEU 8 HD12 LEU 8 67.385 2.506 14.717
3 HD12 LEU 8 HD13 LEU 8 65.913 2.145 15.620
4 HD13 LEU 8 HD21 LEU 8 67.455 1.461 16.136
5 HD21 LEU 8 HD22 LEU 8 66.275 1.422 12.471
6 HD22 LEU 8 HD23 LEU 8 65.244 0.033 12.819
7 HG LEU 8 HXT LEU 8 66.149 -0.252 14.979
8 HD23 LEU 8 HXT LEU 8 64.925 1.584 13.595
9 HA LEU 8 HB1 LEU 8 66.965 -1.284 12.447
10 HB3 LEU 8 HG3 LEU 8 68.323 0.724 13.112
11 HB2 LEU 8 HG2 LEU 8 68.663 -0.069 14.650
No H/Q in entry = 11
Start of MODEL 17
1 H GLY 9 H GLY 9 68.964 -0.403 11.139
2 HA2 GLY 9 HA3 GLY 9 71.494 -1.812 11.490
3 HA3 GLY 9 HXT GLY 9 71.057 -0.763 10.160
No H/Q in entry = 3
Start of MODEL 17
1 H SER 10 H SER 10 68.557 -2.945 10.329
2 HG SER 10 HXT SER 10 66.309 -4.869 10.611
3 HA SER 10 HB1 SER 10 69.584 -5.361 9.225
4 HB3 SER 10 HG3 SER 10 67.247 -5.679 8.495
5 HB2 SER 10 HG2 SER 10 66.931 -3.966 8.749
No H/Q in entry = 5
Start of MODEL 17
1 H LYS 11 H LYS 11 69.572 -6.089 6.984
2 HB2 LYS 11 HG2 LYS 11 71.114 -5.985 3.749
3 HB3 LYS 11 HG3 LYS 11 71.584 -6.300 5.415
4 HG2 LYS 11 HG3 LYS 11 69.340 -7.483 5.698
5 HG3 LYS 11 HD2 LYS 11 69.155 -7.360 3.950
6 HD2 LYS 11 HD3 LYS 11 71.349 -8.531 3.683
7 HE2 LYS 11 HE3 LYS 11 69.015 -9.683 3.825
8 HE3 LYS 11 HZ1 LYS 11 70.443 -10.714 4.038
9 HZ1 LYS 11 HZ2 LYS 11 70.286 -10.368 6.430
10 HZ2 LYS 11 HZ3 LYS 11 68.895 -9.414 6.219
11 HD3 LYS 11 HXT LYS 11 71.401 -8.754 5.431
12 HZ3 LYS 11 HXT LYS 11 68.861 -11.069 5.833
13 HA LYS 11 HB1 LYS 11 70.578 -4.041 5.142
No H/Q in entry = 13
Start of MODEL 17
1 H ILE 12 H ILE 12 69.323 -2.931 3.730
2 HB ILE 12 HG12 ILE 12 67.466 -1.251 3.342
3 HG12 ILE 12 HG13 ILE 12 65.503 -3.048 4.802
4 HG13 ILE 12 HG21 ILE 12 67.141 -2.726 5.369
5 HG21 ILE 12 HG22 ILE 12 65.839 -1.535 1.487
6 HG22 ILE 12 HG23 ILE 12 64.815 -2.505 2.547
7 HD11 ILE 12 HD12 ILE 12 66.517 -0.229 5.187
8 HD12 ILE 12 HD13 ILE 12 64.847 -0.785 5.077
9 HG23 ILE 12 HXT ILE 12 65.084 -0.797 2.900
10 HD13 ILE 12 HXT ILE 12 65.802 -1.142 6.517
11 HA ILE 12 HB1 ILE 12 66.733 -4.157 2.829
No H/Q in entry = 11
Start of MODEL 17
1 H SER 13 H SER 13 66.263 -4.001 0.634
2 HG SER 13 HXT SER 13 67.901 -5.312 -3.351
3 HA SER 13 HB1 SER 13 68.448 -3.059 -1.166
4 HB3 SER 13 HG3 SER 13 65.994 -4.779 -1.671
5 HB2 SER 13 HG2 SER 13 67.593 -5.409 -1.288
No H/Q in entry = 5
Start of MODEL 17
1 H LEU 14 H LEU 14 68.020 -1.421 -2.672
2 HD11 LEU 14 HD12 LEU 14 65.397 1.579 -0.033
3 HD12 LEU 14 HD13 LEU 14 64.573 2.997 -0.684
4 HD13 LEU 14 HD21 LEU 14 64.356 1.423 -1.448
5 HD21 LEU 14 HD22 LEU 14 67.730 3.109 -0.489
6 HD22 LEU 14 HD23 LEU 14 67.675 3.939 -2.044
7 HG LEU 14 HXT LEU 14 65.905 2.611 -2.832
8 HD23 LEU 14 HXT LEU 14 66.417 4.232 -0.842
9 HA LEU 14 HB1 LEU 14 65.368 -0.044 -2.442
10 HB3 LEU 14 HG3 LEU 14 68.054 1.342 -2.441
11 HB2 LEU 14 HG2 LEU 14 67.349 0.730 -0.945
No H/Q in entry = 11
Start of MODEL 17
1 H ILE 15 H ILE 15 64.567 0.419 -4.464
2 HB ILE 15 HG12 ILE 15 63.432 0.000 -6.587
3 HG12 ILE 15 HG13 ILE 15 65.544 -2.091 -7.188
4 HG13 ILE 15 HG21 ILE 15 64.915 -1.811 -5.564
5 HG21 ILE 15 HG22 ILE 15 64.269 0.887 -8.786
6 HG22 ILE 15 HG23 ILE 15 65.283 -0.548 -8.928
7 HD11 ILE 15 HD12 ILE 15 62.589 -2.157 -6.527
8 HD12 ILE 15 HD13 ILE 15 63.371 -2.708 -8.008
9 HG23 ILE 15 HXT ILE 15 63.527 -0.708 -8.909
10 HD13 ILE 15 HXT ILE 15 63.610 -3.593 -6.502
11 HA ILE 15 HB1 ILE 15 66.451 0.353 -6.795
No H/Q in entry = 11
Start of MODEL 17
1 H SER 16 H SER 16 66.959 2.346 -7.585
2 HG SER 16 HXT SER 16 68.426 5.352 -6.013
3 HA SER 16 HB1 SER 16 65.301 4.709 -6.910
4 HB3 SER 16 HG3 SER 16 67.293 5.908 -7.741
5 HB2 SER 16 HG2 SER 16 67.986 4.379 -8.274
No H/Q in entry = 5
Start of MODEL 17
1 H LYS 17 H LYS 17 64.775 6.291 -8.611
2 HB2 LYS 17 HG2 LYS 17 63.135 7.513 -9.567
3 HB3 LYS 17 HG3 LYS 17 64.471 7.938 -10.635
4 HG2 LYS 17 HG3 LYS 17 63.054 7.376 -12.597
5 HG3 LYS 17 HD2 LYS 17 61.712 7.027 -11.506
6 HD2 LYS 17 HD3 LYS 17 61.888 9.367 -10.627
7 HE2 LYS 17 HE3 LYS 17 60.428 8.566 -12.655
8 HE3 LYS 17 HZ1 LYS 17 60.643 10.313 -12.420
9 HZ1 LYS 17 HZ2 LYS 17 62.569 10.225 -13.897
10 HZ2 LYS 17 HZ3 LYS 17 62.308 8.571 -14.160
11 HD3 LYS 17 HXT LYS 17 63.112 9.694 -11.856
12 HZ3 LYS 17 HXT LYS 17 61.163 9.705 -14.697
13 HA LYS 17 HB1 LYS 17 63.128 5.227 -10.624
No H/Q in entry = 13
Start of MODEL 17
1 H ALA 18 H ALA 18 66.577 5.549 -10.790
2 HA ALA 18 HB1 ALA 18 66.665 5.741 -13.736
3 HB1 ALA 18 HB2 ALA 18 69.190 5.489 -13.108
4 HB2 ALA 18 HB3 ALA 18 68.355 6.961 -12.610
5 HB3 ALA 18 HXT ALA 18 68.633 5.665 -11.442
No H/Q in entry = 5
Start of MODEL 17
1 H ASP 19 H ASP 19 65.555 3.304 -12.159
2 HA ASP 19 HB1 ASP 19 65.707 0.960 -12.134
3 HB3 ASP 19 HG3 ASP 19 66.580 0.026 -14.301
4 HB2 ASP 19 HG2 ASP 19 67.110 1.647 -14.742
No H/Q in entry = 4
Start of MODEL 17
1 H ILE 20 H ILE 20 67.783 2.511 -10.779
2 HB ILE 20 HG12 ILE 20 69.725 3.313 -9.489
3 HG12 ILE 20 HG13 ILE 20 71.147 2.977 -12.150
4 HG13 ILE 20 HG21 ILE 20 69.518 3.618 -11.973
5 HG21 ILE 20 HG22 ILE 20 71.588 1.904 -8.662
6 HG22 ILE 20 HG23 ILE 20 72.293 1.894 -10.278
7 HD11 ILE 20 HD12 ILE 20 70.469 5.380 -10.429
8 HD12 ILE 20 HD13 ILE 20 72.077 4.814 -10.882
9 HG23 ILE 20 HXT ILE 20 72.189 3.402 -9.371
10 HD13 ILE 20 HXT ILE 20 71.008 5.507 -12.102
11 HA ILE 20 HB1 ILE 20 70.208 0.785 -11.114
No H/Q in entry = 11
Start of MODEL 17
1 H ARG 21 H ARG 21 70.848 -0.587 -9.423
2 HB2 ARG 21 HG2 ARG 21 69.401 -2.772 -8.812
3 HB3 ARG 21 HG3 ARG 21 71.049 -2.781 -8.183
4 HG2 ARG 21 HD2 ARG 21 70.310 -3.399 -5.992
5 HG3 ARG 21 HD3 ARG 21 68.623 -3.083 -6.401
6 HD2 ARG 21 HD3 ARG 21 68.984 -5.496 -6.467
7 HE ARG 21 HH12 ARG 21 71.568 -4.855 -7.239
8 HH11 ARG 21 HH21 ARG 21 69.065 -6.883 -8.607
9 HH12 ARG 21 HH22 ARG 21 70.201 -7.949 -9.355
10 HD3 ARG 21 HXT ARG 21 68.792 -4.927 -8.136
11 HH21 ARG 21 HXT ARG 21 72.997 -6.260 -8.224
12 HH22 ARG 21 H1 ARG 21 72.402 -7.604 -9.142
13 HA ARG 21 HB1 ARG 21 68.884 -0.897 -7.188
No H/Q in entry = 13
Start of MODEL 17
1 H TYR 22 H TYR 22 69.527 0.009 -5.315
2 HD1 TYR 22 HD2 TYR 22 73.497 2.896 -4.190
3 HD2 TYR 22 HE1 TYR 22 69.595 2.546 -6.021
4 HE1 TYR 22 HE2 TYR 22 74.161 4.564 -5.923
5 HE2 TYR 22 HH TYR 22 70.260 4.215 -7.764
6 HH TYR 22 HXT TYR 22 73.215 4.986 -8.538
7 HA TYR 22 HB1 TYR 22 72.434 0.040 -4.584
8 HB3 TYR 22 HG3 TYR 22 71.618 1.847 -3.009
9 HB2 TYR 22 HG2 TYR 22 70.041 1.701 -3.754
No H/Q in entry = 9
Start of MODEL 17
1 H GLU 23 H GLU 23 72.966 -0.793 -2.487
2 HB2 GLU 23 HG2 GLU 23 73.140 -3.322 -1.788
3 HB3 GLU 23 HG3 GLU 23 72.089 -3.906 -0.497
4 HA GLU 23 HB1 GLU 23 70.711 -1.802 -0.795
5 HG3 GLU 23 HD3 GLU 23 71.375 -3.416 -3.393
6 HG2 GLU 23 HD2 GLU 23 70.148 -3.598 -2.140
No H/Q in entry = 6
Start of MODEL 17
1 H GLY 24 H GLY 24 71.143 -1.585 1.425
2 HA2 GLY 24 HA3 GLY 24 72.937 0.376 2.296
3 HA3 GLY 24 HXT GLY 24 73.819 -1.141 2.464
No H/Q in entry = 3
Start of MODEL 17
1 H ARG 25 H ARG 25 73.655 -0.248 4.803
2 HB2 ARG 25 HG2 ARG 25 73.922 -0.098 7.071
3 HB3 ARG 25 HG3 ARG 25 72.889 -0.985 8.194
4 HG2 ARG 25 HD2 ARG 25 73.385 -3.060 6.770
5 HG3 ARG 25 HD3 ARG 25 74.663 -2.105 6.019
6 HD2 ARG 25 HD3 ARG 25 74.427 -2.550 9.017
7 HE ARG 25 HH12 ARG 25 75.815 -0.598 7.613
8 HH11 ARG 25 HH21 ARG 25 76.776 -3.364 9.531
9 HH12 ARG 25 HH22 ARG 25 78.267 -2.634 10.013
10 HD3 ARG 25 HXT ARG 25 75.497 -3.478 7.950
11 HH21 ARG 25 HXT ARG 25 77.751 0.304 8.264
12 HH22 ARG 25 H1 ARG 25 78.815 -0.580 9.306
13 HA ARG 25 HB1 ARG 25 71.553 -1.775 6.197
No H/Q in entry = 13
Start of MODEL 17
1 H LEU 26 H LEU 26 69.727 -0.881 7.105
2 HD11 LEU 26 HD12 LEU 26 65.962 1.386 6.298
3 HD12 LEU 26 HD13 LEU 26 65.437 2.792 7.223
4 HD13 LEU 26 HD21 LEU 26 67.075 2.725 6.573
5 HD21 LEU 26 HD22 LEU 26 65.948 0.123 9.747
6 HD22 LEU 26 HD23 LEU 26 64.928 1.523 9.417
7 HG LEU 26 HXT LEU 26 67.166 2.229 8.951
8 HD23 LEU 26 HXT LEU 26 65.026 0.207 8.246
9 HA LEU 26 HB1 LEU 26 68.908 1.843 6.743
10 HB3 LEU 26 HG3 LEU 26 68.028 -0.163 8.836
11 HB2 LEU 26 HG2 LEU 26 67.498 -0.188 7.155
No H/Q in entry = 11
Start of MODEL 17
1 H TYR 27 H TYR 27 69.806 3.606 7.804
2 HD1 TYR 27 HD2 TYR 27 72.974 3.828 11.297
3 HD2 TYR 27 HE1 TYR 27 71.930 7.578 9.413
4 HE1 TYR 27 HE2 TYR 27 74.311 5.059 13.008
5 HE2 TYR 27 HH TYR 27 73.267 8.808 11.127
6 HH TYR 27 HXT TYR 27 74.241 7.507 13.992
7 HA TYR 27 HB1 TYR 27 71.029 3.240 10.498
8 HB3 TYR 27 HG3 TYR 27 71.021 5.593 8.593
9 HB2 TYR 27 HG2 TYR 27 72.227 4.319 8.576
No H/Q in entry = 9
Start of MODEL 17
1 H THR 28 H THR 28 68.744 5.431 8.808
2 HG1 THR 28 HG21 THR 28 68.473 8.747 9.293
3 HG21 THR 28 HG22 THR 28 68.566 6.727 12.743
4 HG22 THR 28 HG23 THR 28 69.998 6.892 11.727
5 HG23 THR 28 HXT THR 28 69.280 8.317 12.478
6 HA THR 28 HB1 THR 28 67.151 5.723 11.290
7 HB THR 28 HG12 THR 28 67.409 8.274 11.036
No H/Q in entry = 7
Start of MODEL 17
1 H VAL 29 H VAL 29 65.073 6.747 10.866
2 HB VAL 29 HG12 VAL 29 64.033 4.805 8.562
3 HG11 VAL 29 HG12 VAL 29 62.102 5.881 10.642
4 HG12 VAL 29 HG13 VAL 29 62.306 4.182 10.216
5 HG13 VAL 29 HG21 VAL 29 63.629 5.065 10.979
6 HG21 VAL 29 HG22 VAL 29 61.710 6.609 7.961
7 HG22 VAL 29 HG23 VAL 29 62.517 5.439 6.917
8 HG23 VAL 29 HXT VAL 29 61.415 4.884 8.176
9 HA VAL 29 HB1 VAL 29 64.383 7.206 8.003
No H/Q in entry = 9
Start of MODEL 17
1 H ASP 30 H ASP 30 62.671 8.689 7.734
2 HA ASP 30 HB1 ASP 30 61.391 9.757 10.229
3 HB3 ASP 30 HG3 ASP 30 62.130 11.373 7.783
4 HB2 ASP 30 HG2 ASP 30 63.280 11.107 9.092
No H/Q in entry = 4
Start of MODEL 17
1 HB2 PRO 31 HG2 PRO 31 56.067 8.506 9.372
2 HB3 PRO 31 HG3 PRO 31 57.086 7.063 9.211
3 HG2 PRO 31 HD2 PRO 31 57.281 9.310 11.140
4 HG3 PRO 31 HD3 PRO 31 57.611 7.586 11.371
5 HD2 PRO 31 HD3 PRO 31 59.572 9.426 11.099
6 HD3 PRO 31 HXT PRO 31 59.746 7.746 10.543
7 HA PRO 31 HB1 PRO 31 58.097 8.196 7.493
No H/Q in entry = 7
Start of MODEL 17
1 H GLN 32 H GLN 32 57.829 11.108 9.541
2 HB2 GLN 32 HG2 GLN 32 57.265 13.258 10.237
3 HB3 GLN 32 HG3 GLN 32 55.831 14.065 9.600
4 HE21 GLN 32 HE22 GLN 32 56.450 11.969 13.030
5 HE22 GLN 32 HXT GLN 32 55.609 13.167 13.890
6 HA GLN 32 HB1 GLN 32 55.549 12.136 7.991
7 HG3 GLN 32 HD3 GLN 32 55.922 11.327 10.899
8 HG2 GLN 32 HD2 GLN 32 54.486 12.039 10.165
No H/Q in entry = 8
Start of MODEL 17
1 H GLU 33 H GLU 33 59.036 12.565 8.023
2 HB2 GLU 33 HG2 GLU 33 61.144 13.079 7.245
3 HB3 GLU 33 HG3 GLU 33 61.426 14.471 6.202
4 HA GLU 33 HB1 GLU 33 58.934 14.844 6.153
5 HG3 GLU 33 HD3 GLU 33 61.650 14.964 8.670
6 HG2 GLU 33 HD2 GLU 33 59.926 14.629 8.830
No H/Q in entry = 6
Start of MODEL 17
1 H CYS 34 H CYS 34 58.290 11.584 5.734
2 HG CYS 34 HXT CYS 34 55.894 11.745 2.139
3 HA CYS 34 HB1 CYS 34 58.477 10.057 3.947
4 HB3 CYS 34 HG3 CYS 34 58.405 11.362 1.696
5 HB2 CYS 34 HG2 CYS 34 58.346 12.804 2.709
No H/Q in entry = 5
Start of MODEL 17
1 H THR 35 H THR 35 61.016 10.648 5.203
2 HG1 THR 35 HG21 THR 35 63.506 12.121 6.213
3 HG21 THR 35 HG22 THR 35 62.032 12.673 2.653
4 HG22 THR 35 HG23 THR 35 62.464 13.957 3.784
5 HG23 THR 35 HXT THR 35 63.654 13.364 2.626
6 HA THR 35 HB1 THR 35 62.873 10.483 2.854
7 HB THR 35 HG12 THR 35 64.377 12.005 4.277
No H/Q in entry = 7
Start of MODEL 17
1 H ILE 36 H ILE 36 64.820 9.306 3.302
2 HB ILE 36 HG12 ILE 36 65.376 5.846 4.890
3 HG12 ILE 36 HG13 ILE 36 64.327 7.195 2.384
4 HG13 ILE 36 HG21 ILE 36 66.041 6.880 2.649
5 HG21 ILE 36 HG22 ILE 36 63.096 6.924 5.656
6 HG22 ILE 36 HG23 ILE 36 62.742 6.920 3.929
7 HD11 ILE 36 HD12 ILE 36 65.517 4.464 2.964
8 HD12 ILE 36 HD13 ILE 36 63.827 4.808 2.590
9 HG23 ILE 36 HXT ILE 36 63.094 5.406 4.761
10 HD13 ILE 36 HXT ILE 36 65.069 5.045 1.360
11 HA ILE 36 HB1 ILE 36 65.080 8.065 6.001
No H/Q in entry = 11
Start of MODEL 17
1 H ALA 37 H ALA 37 67.265 7.138 6.329
2 HA ALA 37 HB1 ALA 37 69.316 8.009 4.331
3 HB1 ALA 37 HB2 ALA 37 68.853 9.449 6.527
4 HB2 ALA 37 HB3 ALA 37 70.499 9.183 5.954
5 HB3 ALA 37 HXT ALA 37 69.857 8.206 7.275
No H/Q in entry = 5
Start of MODEL 17
1 H LEU 38 H LEU 38 70.671 6.351 3.846
2 HD11 LEU 38 HD12 LEU 38 69.427 3.798 1.119
3 HD12 LEU 38 HD13 LEU 38 69.479 2.136 1.707
4 HD13 LEU 38 HD21 LEU 38 67.952 3.018 1.687
5 HD21 LEU 38 HD22 LEU 38 69.430 1.818 4.425
6 HD22 LEU 38 HD23 LEU 38 68.542 3.127 5.205
7 HG LEU 38 HXT LEU 38 68.823 4.577 3.387
8 HD23 LEU 38 HXT LEU 38 67.794 2.214 3.895
9 HA LEU 38 HB1 LEU 38 70.636 3.922 5.604
10 HB3 LEU 38 HG3 LEU 38 71.254 2.769 3.476
11 HB2 LEU 38 HG2 LEU 38 71.229 4.324 2.649
No H/Q in entry = 11
Start of MODEL 17
1 H SER 39 H SER 39 72.664 2.947 6.121
2 HG SER 39 HXT SER 39 74.845 2.381 8.854
3 HA SER 39 HB1 SER 39 75.060 4.688 5.604
4 HB3 SER 39 HG3 SER 39 74.158 4.651 7.939
5 HB2 SER 39 HG2 SER 39 75.784 3.980 7.846
No H/Q in entry = 5
Start of MODEL 17
1 H SER 40 H SER 40 77.082 3.515 5.307
2 HG SER 40 HXT SER 40 76.660 -1.142 5.646
3 HA SER 40 HB1 SER 40 78.248 1.950 3.978
4 HB3 SER 40 HG3 SER 40 78.035 1.023 6.356
5 HB2 SER 40 HG2 SER 40 78.398 -0.156 5.102
No H/Q in entry = 5
Start of MODEL 17
1 H VAL 41 H VAL 41 77.058 2.407 2.023
2 HB VAL 41 HG12 VAL 41 73.971 2.185 1.854
3 HG11 VAL 41 HG12 VAL 41 75.789 3.820 1.288
4 HG12 VAL 41 HG13 VAL 41 75.407 3.577 -0.419
5 HG13 VAL 41 HG21 VAL 41 74.204 4.277 0.664
6 HG21 VAL 41 HG22 VAL 41 73.987 1.113 -0.917
7 HG22 VAL 41 HG23 VAL 41 72.677 1.185 0.257
8 HG23 VAL 41 HXT VAL 41 73.091 2.613 -0.686
9 HA VAL 41 HB1 VAL 41 75.272 0.167 1.172
No H/Q in entry = 9
Start of MODEL 17
1 H ARG 42 H ARG 42 75.441 -0.339 -1.074
2 HB2 ARG 42 HG2 ARG 42 78.440 -1.087 -3.308
3 HB3 ARG 42 HG3 ARG 42 78.513 -0.876 -1.562
4 HG2 ARG 42 HD2 ARG 42 76.331 -2.138 -1.397
5 HG3 ARG 42 HD3 ARG 42 76.469 -2.485 -3.121
6 HD2 ARG 42 HD3 ARG 42 78.695 -3.554 -2.689
7 HE ARG 42 HH12 ARG 42 76.098 -4.546 -1.771
8 HH11 ARG 42 HH21 ARG 42 79.495 -5.326 -2.103
9 HH12 ARG 42 HH22 ARG 42 79.200 -7.029 -2.139
10 HD3 ARG 42 HXT ARG 42 78.432 -3.311 -0.951
11 HH21 ARG 42 HXT ARG 42 75.769 -6.755 -1.820
12 HH22 ARG 42 H1 ARG 42 77.116 -7.831 -1.981
13 HA ARG 42 HB1 ARG 42 77.535 1.123 -2.631
No H/Q in entry = 13
Start of MODEL 17
1 H SER 43 H SER 43 77.224 0.998 -4.940
2 HG SER 43 HXT SER 43 76.859 3.050 -7.283
3 HA SER 43 HB1 SER 43 74.470 0.156 -5.767
4 HB3 SER 43 HG3 SER 43 75.197 2.556 -5.963
5 HB2 SER 43 HG2 SER 43 74.755 1.841 -7.509
No H/Q in entry = 5
Start of MODEL 17
1 H PHE 44 H PHE 44 74.247 -1.297 -7.494
2 HD1 PHE 44 HD2 PHE 44 75.827 -5.964 -7.941
3 HD2 PHE 44 HE1 PHE 44 73.152 -3.036 -6.218
4 HE1 PHE 44 HE2 PHE 44 75.681 -7.326 -5.854
5 HE2 PHE 44 HZ PHE 44 73.007 -4.398 -4.132
6 HZ PHE 44 HXT PHE 44 74.269 -6.543 -3.950
7 HA PHE 44 HB1 PHE 44 76.599 -2.995 -7.987
8 HB3 PHE 44 HG3 PHE 44 74.747 -4.242 -9.321
9 HB2 PHE 44 HG2 PHE 44 73.658 -3.060 -8.617
No H/Q in entry = 9
Start of MODEL 17
1 H GLY 45 H GLY 45 74.472 -0.887 -9.949
2 HA2 GLY 45 HA3 GLY 45 75.842 -1.468 -12.435
3 HA3 GLY 45 HXT GLY 45 76.437 0.012 -11.691
No H/Q in entry = 3
Start of MODEL 17
1 H THR 46 H THR 46 75.505 0.827 -13.831
2 HG1 THR 46 HG21 THR 46 75.449 3.801 -15.001
3 HG21 THR 46 HG22 THR 46 73.350 2.981 -12.184
4 HG22 THR 46 HG23 THR 46 74.143 4.442 -12.772
5 HG23 THR 46 HXT THR 46 72.457 4.130 -13.180
6 HA THR 46 HB1 THR 46 72.558 1.356 -13.605
7 HB THR 46 HG12 THR 46 73.377 3.374 -15.129
No H/Q in entry = 7
Start of MODEL 17
1 H GLU 47 H GLU 47 74.494 -0.678 -15.204
2 HB2 GLU 47 HG2 GLU 47 74.219 -2.691 -16.458
3 HB3 GLU 47 HG3 GLU 47 74.664 -2.603 -18.162
4 HA GLU 47 HB1 GLU 47 74.665 -0.079 -17.909
5 HG3 GLU 47 HD3 GLU 47 76.255 -1.492 -15.832
6 HG2 GLU 47 HD2 GLU 47 76.677 -1.268 -17.528
No H/Q in entry = 6
Start of MODEL 17
1 H ASP 48 H ASP 48 71.763 -1.079 -16.182
2 HA ASP 48 HB1 ASP 48 70.221 -2.036 -18.410
3 HB3 ASP 48 HG3 ASP 48 68.306 -1.487 -16.861
4 HB2 ASP 48 HG2 ASP 48 69.467 -0.697 -15.793
No H/Q in entry = 4
Start of MODEL 17
1 H ARG 49 H ARG 49 69.983 1.158 -16.780
2 HB2 ARG 49 HG2 ARG 49 69.207 3.235 -16.375
3 HB3 ARG 49 HG3 ARG 49 68.533 4.297 -17.612
4 HG2 ARG 49 HD2 ARG 49 67.377 1.570 -16.989
5 HG3 ARG 49 HD3 ARG 49 66.821 3.048 -16.203
6 HD2 ARG 49 HD3 ARG 49 66.342 4.017 -18.472
7 HE ARG 49 HH12 ARG 49 64.933 1.786 -17.202
8 HH11 ARG 49 HH21 ARG 49 64.880 4.043 -19.878
9 HH12 ARG 49 HH22 ARG 49 63.163 3.939 -20.058
10 HD3 ARG 49 HXT ARG 49 66.745 2.442 -19.180
11 HH21 ARG 49 HXT ARG 49 62.719 1.685 -17.474
12 HH22 ARG 49 H1 ARG 49 61.951 2.620 -18.714
13 HA ARG 49 HB1 ARG 49 68.769 2.326 -19.226
No H/Q in entry = 13
Start of MODEL 17
1 H ASP 50 H ASP 50 71.855 1.690 -18.605
2 HA ASP 50 HB1 ASP 50 73.210 4.177 -18.239
3 HB3 ASP 50 HG3 ASP 50 74.135 1.893 -17.877
4 HB2 ASP 50 HG2 ASP 50 75.182 2.877 -18.894
No H/Q in entry = 4
Start of MODEL 17
1 H THR 51 H THR 51 74.796 5.049 -19.943
2 HG1 THR 51 HG21 THR 51 77.219 6.395 -21.501
3 HG21 THR 51 HG22 THR 51 73.580 7.810 -21.551
4 HG22 THR 51 HG23 THR 51 74.572 7.603 -20.109
5 HG23 THR 51 HXT THR 51 75.109 8.673 -21.404
6 HA THR 51 HB1 THR 51 73.406 5.765 -22.418
7 HB THR 51 HG12 THR 51 75.679 6.900 -22.810
No H/Q in entry = 7
Start of MODEL 17
1 H GLN 52 H GLN 52 74.457 5.393 -24.570
2 HB2 GLN 52 HG2 GLN 52 75.251 3.207 -27.285
3 HB3 GLN 52 HG3 GLN 52 73.832 3.879 -26.488
4 HE21 GLN 52 HE22 GLN 52 75.733 5.479 -29.595
5 HE22 GLN 52 HXT GLN 52 74.228 6.043 -30.139
6 HA GLN 52 HB1 GLN 52 75.283 2.612 -24.909
7 HG3 GLN 52 HD3 GLN 52 76.324 5.318 -27.407
8 HG2 GLN 52 HD2 GLN 52 75.233 6.039 -26.225
No H/Q in entry = 8
Start of MODEL 17
1 H PHE 53 H PHE 53 77.058 5.310 -23.935
2 HD1 PHE 53 HD2 PHE 53 77.653 6.259 -26.204
3 HD2 PHE 53 HE1 PHE 53 81.543 7.719 -25.003
4 HE1 PHE 53 HE2 PHE 53 77.893 7.425 -28.397
5 HE2 PHE 53 HZ PHE 53 81.781 8.886 -27.197
6 HZ PHE 53 HXT PHE 53 79.957 8.738 -28.894
7 HA PHE 53 HB1 PHE 53 79.594 4.300 -25.118
8 HB3 PHE 53 HG3 PHE 53 80.370 6.298 -23.579
9 HB2 PHE 53 HG2 PHE 53 78.660 6.690 -23.561
No H/Q in entry = 9
Start of MODEL 17
1 H GLN 54 H GLN 54 81.420 3.974 -23.475
2 HB2 GLN 54 HG2 GLN 54 83.201 3.516 -22.005
3 HB3 GLN 54 HG3 GLN 54 83.098 2.071 -20.998
4 HE21 GLN 54 HE22 GLN 54 84.676 2.713 -24.678
5 HE22 GLN 54 HXT GLN 54 86.042 1.807 -24.237
6 HA GLN 54 HB1 GLN 54 80.663 1.892 -21.633
7 HG3 GLN 54 HD3 GLN 54 82.548 2.223 -23.976
8 HG2 GLN 54 HD2 GLN 54 82.324 0.781 -22.986
No H/Q in entry = 8
Start of MODEL 17
1 H ILE 55 H ILE 55 80.365 1.944 -19.404
2 HB ILE 55 HG12 ILE 55 78.814 2.108 -17.402
3 HG12 ILE 55 HG13 ILE 55 76.899 3.812 -18.269
4 HG13 ILE 55 HG21 ILE 55 78.234 4.365 -19.280
5 HG21 ILE 55 HG22 ILE 55 79.262 3.856 -15.592
6 HG22 ILE 55 HG23 ILE 55 78.257 4.954 -16.538
7 HD11 ILE 55 HD12 ILE 55 77.622 1.425 -19.040
8 HD12 ILE 55 HD13 ILE 55 76.718 2.437 -20.165
9 HG23 ILE 55 HXT ILE 55 77.566 3.469 -15.885
10 HD13 ILE 55 HXT ILE 55 78.464 2.275 -20.334
11 HA ILE 55 HB1 ILE 55 80.336 4.651 -18.107
No H/Q in entry = 11
Start of MODEL 17
1 H ALA 56 H ALA 56 81.440 4.899 -16.149
2 HA ALA 56 HB1 ALA 56 83.375 2.770 -15.439
3 HB1 ALA 56 HB2 ALA 56 84.276 4.961 -15.664
4 HB2 ALA 56 HB3 ALA 56 82.956 5.681 -14.743
5 HB3 ALA 56 HXT ALA 56 84.172 4.700 -13.923
No H/Q in entry = 5
Start of MODEL 17
1 HB2 PRO 57 HG2 PRO 57 81.766 -0.549 -11.318
2 HB3 PRO 57 HG3 PRO 57 80.614 -0.568 -12.666
3 HG2 PRO 57 HD2 PRO 57 83.582 -0.473 -12.716
4 HG3 PRO 57 HD3 PRO 57 82.458 -1.309 -13.798
5 HD2 PRO 57 HD3 PRO 57 83.713 1.006 -14.458
6 HD3 PRO 57 HXT PRO 57 82.118 0.548 -15.094
7 HA PRO 57 HB1 PRO 57 80.369 1.671 -12.193
No H/Q in entry = 7
Start of MODEL 17
1 H GLN 58 H GLN 58 80.449 2.020 -9.931
2 HB2 GLN 58 HG2 GLN 58 80.078 3.188 -7.980
3 HB3 GLN 58 HG3 GLN 58 81.364 4.033 -7.120
4 HE21 GLN 58 HE22 GLN 58 80.699 7.480 -9.063
5 HE22 GLN 58 HXT GLN 58 79.216 7.717 -8.273
6 HA GLN 58 HB1 GLN 58 82.962 3.254 -8.919
7 HG3 GLN 58 HD3 GLN 58 80.583 4.552 -10.004
8 HG2 GLN 58 HD2 GLN 58 81.800 5.433 -9.079
No H/Q in entry = 8
Start of MODEL 17
1 H SER 59 H SER 59 84.306 1.916 -7.789
2 HG SER 59 HXT SER 59 87.179 0.533 -6.582
3 HA SER 59 HB1 SER 59 83.289 -0.563 -6.539
4 HB3 SER 59 HG3 SER 59 85.395 -0.390 -7.896
5 HB2 SER 59 HG2 SER 59 85.667 -1.036 -6.280
No H/Q in entry = 5
Start of MODEL 17
1 H GLN 60 H GLN 60 84.404 2.638 -5.567
2 HB2 GLN 60 HG2 GLN 60 83.932 4.572 -4.266
3 HB3 GLN 60 HG3 GLN 60 84.579 4.604 -2.626
4 HE21 GLN 60 HE22 GLN 60 88.074 2.609 -4.280
5 HE22 GLN 60 HXT GLN 60 88.662 2.704 -2.690
6 HA GLN 60 HB1 GLN 60 85.013 2.132 -2.819
7 HG3 GLN 60 HD3 GLN 60 86.236 5.243 -4.440
8 HG2 GLN 60 HD2 GLN 60 86.151 3.572 -5.000
No H/Q in entry = 8
Start of MODEL 17
1 H ILE 61 H ILE 61 83.713 2.237 -0.948
2 HB ILE 61 HG12 ILE 61 82.572 1.535 1.082
3 HG12 ILE 61 HG13 ILE 61 83.266 -0.002 -0.716
4 HG13 ILE 61 HG21 ILE 61 82.489 -0.895 0.587
5 HG21 ILE 61 HG22 ILE 61 79.692 0.889 0.502
6 HG22 ILE 61 HG23 ILE 61 80.592 -0.068 1.679
7 HD11 ILE 61 HD12 ILE 61 80.361 -0.886 -0.707
8 HD12 ILE 61 HD13 ILE 61 81.187 -0.055 -2.026
9 HG23 ILE 61 HXT ILE 61 80.393 1.668 1.921
10 HD13 ILE 61 HXT ILE 61 81.663 -1.694 -1.580
11 HA ILE 61 HB1 ILE 61 80.793 1.839 -1.365
No H/Q in entry = 11
Start of MODEL 17
1 H TYR 62 H TYR 62 79.252 3.229 -0.396
2 HD1 TYR 62 HD2 TYR 62 79.433 7.808 -1.372
3 HD2 TYR 62 HE1 TYR 62 77.792 3.960 -2.468
4 HE1 TYR 62 HE2 TYR 62 79.950 8.271 -3.769
5 HE2 TYR 62 HH TYR 62 78.309 4.423 -4.866
6 HH TYR 62 HXT TYR 62 79.017 7.456 -6.048
7 HA TYR 62 HB1 TYR 62 80.265 5.910 0.399
8 HB3 TYR 62 HG3 TYR 62 77.828 6.459 0.132
9 HB2 TYR 62 HG2 TYR 62 77.541 4.775 -0.262
No H/Q in entry = 9
Start of MODEL 17
1 H ASP 63 H ASP 63 80.648 6.128 2.571
2 HA ASP 63 HB1 ASP 63 79.736 4.610 4.738
3 HB3 ASP 63 HG3 ASP 63 81.487 6.313 4.839
4 HB2 ASP 63 HG2 ASP 63 80.267 6.641 6.067
No H/Q in entry = 4
Start of MODEL 17
1 H TYR 64 H TYR 64 78.083 7.371 3.194
2 HD1 TYR 64 HD2 TYR 64 74.232 9.849 4.106
3 HD2 TYR 64 HE1 TYR 64 75.593 8.224 7.876
4 HE1 TYR 64 HE2 TYR 64 72.125 10.608 5.194
5 HE2 TYR 64 HH TYR 64 73.481 8.988 8.960
6 HH TYR 64 HXT TYR 64 71.460 11.227 7.699
7 HA TYR 64 HB1 TYR 64 75.543 6.663 4.553
8 HB3 TYR 64 HG3 TYR 64 76.836 9.387 4.818
9 HB2 TYR 64 HG2 TYR 64 76.997 8.133 6.033
No H/Q in entry = 9
Start of MODEL 17
1 H ILE 65 H ILE 65 73.946 6.929 3.046
2 HB ILE 65 HG12 ILE 65 73.090 6.444 0.639
3 HG12 ILE 65 HG13 ILE 65 75.489 7.915 -0.518
4 HG13 ILE 65 HG21 ILE 65 75.572 6.627 0.682
5 HG21 ILE 65 HG22 ILE 65 73.243 8.879 -1.176
6 HG22 ILE 65 HG23 ILE 65 72.824 7.254 -1.717
7 HD11 ILE 65 HD12 ILE 65 74.158 5.290 -1.112
8 HD12 ILE 65 HD13 ILE 65 74.860 6.462 -2.227
9 HG23 ILE 65 HXT ILE 65 71.771 8.107 -0.588
10 HD13 ILE 65 HXT ILE 65 75.909 5.414 -1.275
11 HA ILE 65 HB1 ILE 65 74.172 9.245 1.140
No H/Q in entry = 11
Start of MODEL 17
1 H LEU 66 H LEU 66 72.479 10.635 1.340
2 HD11 LEU 66 HD12 LEU 66 69.936 11.795 4.892
3 HD12 LEU 66 HD13 LEU 66 68.309 12.476 4.893
4 HD13 LEU 66 HD21 LEU 66 68.585 10.852 4.264
5 HD21 LEU 66 HD22 LEU 66 70.161 14.261 3.594
6 HD22 LEU 66 HD23 LEU 66 69.317 14.369 2.049
7 HG LEU 66 HXT LEU 66 68.445 12.120 2.300
8 HD23 LEU 66 HXT LEU 66 68.398 14.308 3.553
9 HA LEU 66 HB1 LEU 66 70.080 9.875 2.903
10 HB3 LEU 66 HG3 LEU 66 70.845 12.475 1.533
11 HB2 LEU 66 HG2 LEU 66 71.347 12.036 3.167
No H/Q in entry = 11
Start of MODEL 17
1 H PHE 67 H PHE 67 68.052 9.559 1.974
2 HD1 PHE 67 HD2 PHE 67 68.279 8.873 -2.662
3 HD2 PHE 67 HE1 PHE 67 69.112 5.786 0.248
4 HE1 PHE 67 HE2 PHE 67 70.072 7.970 -4.127
5 HE2 PHE 67 HZ PHE 67 70.925 4.895 -1.216
6 HZ PHE 67 HXT PHE 67 71.406 5.987 -3.409
7 HA PHE 67 HB1 PHE 67 67.797 9.899 -0.990
8 HB3 PHE 67 HG3 PHE 67 66.514 7.588 -0.627
9 HB2 PHE 67 HG2 PHE 67 67.580 7.485 0.760
No H/Q in entry = 9
Start of MODEL 17
1 H ARG 68 H ARG 68 65.920 10.964 -1.470
2 HB2 ARG 68 HG2 ARG 68 64.249 12.353 -2.209
3 HB3 ARG 68 HG3 ARG 68 62.818 12.704 -1.239
4 HG2 ARG 68 HD2 ARG 68 64.311 13.451 0.619
5 HG3 ARG 68 HD3 ARG 68 65.699 13.207 -0.441
6 HD2 ARG 68 HD3 ARG 68 64.647 14.819 -2.078
7 HE ARG 68 HH12 ARG 68 66.135 15.355 0.199
8 HH11 ARG 68 HH21 ARG 68 63.611 17.080 -1.507
9 HH12 ARG 68 HH22 ARG 68 64.202 18.628 -1.016
10 HD3 ARG 68 HXT ARG 68 63.416 15.168 -0.848
11 HH21 ARG 68 HXT ARG 68 66.861 17.378 0.808
12 HH22 ARG 68 H1 ARG 68 66.020 18.798 0.280
13 HA ARG 68 HB1 ARG 68 63.728 11.132 0.518
No H/Q in entry = 13
Start of MODEL 17
1 H GLY 69 H GLY 69 61.605 10.326 0.090
2 HA2 GLY 69 HA3 GLY 69 59.988 8.882 -0.806
3 HA3 GLY 69 HXT GLY 69 61.336 7.903 -1.381
No H/Q in entry = 3
Start of MODEL 17
1 H SER 70 H SER 70 61.133 11.223 -2.440
2 HG SER 70 HXT SER 70 60.420 13.546 -2.693
3 HA SER 70 HB1 SER 70 59.392 10.878 -4.706
4 HB3 SER 70 HG3 SER 70 60.267 13.078 -5.335
5 HB2 SER 70 HG2 SER 70 61.631 12.871 -4.239
No H/Q in entry = 5
Start of MODEL 17
1 H ASP 71 H ASP 71 62.954 10.696 -4.379
2 HA ASP 71 HB1 ASP 71 63.303 10.359 -7.281
3 HB3 ASP 71 HG3 ASP 71 64.905 11.635 -5.923
4 HB2 ASP 71 HG2 ASP 71 65.702 10.249 -6.661
No H/Q in entry = 4
Start of MODEL 17
1 H ILE 72 H ILE 72 63.346 8.269 -4.405
2 HB ILE 72 HG12 ILE 72 64.036 6.532 -3.206
3 HG12 ILE 72 HG13 ILE 72 66.086 5.097 -4.869
4 HG13 ILE 72 HG21 ILE 72 65.882 6.835 -5.074
5 HG21 ILE 72 HG22 ILE 72 64.206 3.763 -4.448
6 HG22 ILE 72 HG23 ILE 72 64.589 4.159 -2.773
7 HD11 ILE 72 HD12 ILE 72 66.233 5.600 -2.349
8 HD12 ILE 72 HD13 ILE 72 67.616 6.065 -3.345
9 HG23 ILE 72 HXT ILE 72 62.934 4.319 -3.361
10 HD13 ILE 72 HXT ILE 72 66.451 7.283 -2.825
11 HA ILE 72 HB1 ILE 72 63.909 5.918 -6.153
No H/Q in entry = 11
Start of MODEL 17
1 H LYS 73 H LYS 73 62.417 4.222 -6.365
2 HB2 LYS 73 HG2 LYS 73 60.647 4.929 -8.245
3 HB3 LYS 73 HG3 LYS 73 60.728 3.192 -7.948
4 HG2 LYS 73 HG3 LYS 73 58.685 3.527 -9.124
5 HG3 LYS 73 HD2 LYS 73 58.219 3.316 -7.437
6 HD2 LYS 73 HD3 LYS 73 58.047 5.733 -7.140
7 HE2 LYS 73 HE3 LYS 73 56.203 4.267 -8.357
8 HE3 LYS 73 HZ1 LYS 73 56.033 6.033 -8.327
9 HZ1 LYS 73 HZ2 LYS 73 57.223 6.145 -10.434
10 HZ2 LYS 73 HZ3 LYS 73 57.345 4.451 -10.475
11 HD3 LYS 73 HXT LYS 73 58.625 6.002 -8.784
12 HZ3 LYS 73 HXT LYS 73 55.823 5.198 -10.588
13 HA LYS 73 HB1 LYS 73 59.619 5.178 -5.949
No H/Q in entry = 13
Start of MODEL 17
1 H ASP 74 H ASP 74 61.788 2.509 -5.172
2 HA ASP 74 HB1 ASP 74 59.527 1.171 -3.773
3 HB3 ASP 74 HG3 ASP 74 61.246 -0.269 -5.815
4 HB2 ASP 74 HG2 ASP 74 59.644 0.377 -6.175
No H/Q in entry = 4
Start of MODEL 17
1 H ILE 75 H ILE 75 60.186 0.272 -1.891
2 HB ILE 75 HG12 ILE 75 62.552 1.751 -0.561
3 HG12 ILE 75 HG13 ILE 75 62.837 -0.284 1.660
4 HG13 ILE 75 HG21 ILE 75 64.142 0.067 0.528
5 HG21 ILE 75 HG22 ILE 75 60.146 1.379 -0.139
6 HG22 ILE 75 HG23 ILE 75 60.549 0.214 1.123
7 HD11 ILE 75 HD12 ILE 75 63.682 2.562 1.169
8 HD12 ILE 75 HD13 ILE 75 62.894 1.869 2.587
9 HG23 ILE 75 HXT ILE 75 60.974 1.914 1.324
10 HD13 ILE 75 HXT ILE 75 64.602 1.550 2.282
11 HA ILE 75 HB1 ILE 75 63.070 -0.467 -1.556
No H/Q in entry = 11
Start of MODEL 17
1 H ARG 76 H ARG 76 63.381 -2.392 -0.387
2 HB2 ARG 76 HG2 ARG 76 62.636 -4.803 -1.341
3 HB3 ARG 76 HG3 ARG 76 61.535 -5.755 -0.346
4 HG2 ARG 76 HD2 ARG 76 59.719 -4.090 -0.929
5 HG3 ARG 76 HD3 ARG 76 60.838 -3.382 -2.094
6 HD2 ARG 76 HD3 ARG 76 61.070 -5.674 -3.146
7 HE ARG 76 HH12 ARG 76 58.744 -3.899 -3.228
8 HH11 ARG 76 HH21 ARG 76 60.148 -6.825 -4.541
9 HH12 ARG 76 HH22 ARG 76 59.242 -6.716 -6.010
10 HD3 ARG 76 HXT ARG 76 59.746 -6.213 -2.097
11 HH21 ARG 76 HXT ARG 76 57.596 -3.803 -5.142
12 HH22 ARG 76 H1 ARG 76 57.812 -5.027 -6.348
13 HA ARG 76 HB1 ARG 76 61.053 -3.653 0.978
No H/Q in entry = 13
Start of MODEL 17
1 H VAL 77 H VAL 77 61.693 -4.861 2.746
2 HB VAL 77 HG12 VAL 77 62.070 -5.883 4.903
3 HG11 VAL 77 HG12 VAL 77 64.168 -6.870 5.762
4 HG12 VAL 77 HG13 VAL 77 64.854 -5.254 5.938
5 HG13 VAL 77 HG21 VAL 77 63.475 -5.740 6.925
6 HG21 VAL 77 HG22 VAL 77 63.469 -3.217 4.776
7 HG22 VAL 77 HG23 VAL 77 61.743 -3.566 4.684
8 HG23 VAL 77 HXT VAL 77 62.585 -3.684 6.229
9 HA VAL 77 HB1 VAL 77 64.562 -4.892 3.462
No H/Q in entry = 9
Start of MODEL 17
1 H VAL 78 H VAL 78 65.799 -6.813 3.691
2 HB VAL 78 HG12 VAL 78 67.515 -8.440 3.235
3 HG11 VAL 78 HG12 VAL 78 67.114 -10.890 2.855
4 HG12 VAL 78 HG13 VAL 78 66.688 -10.518 1.184
5 HG13 VAL 78 HG21 VAL 78 68.322 -10.205 1.768
6 HG21 VAL 78 HG22 VAL 78 66.280 -8.211 0.468
7 HG22 VAL 78 HG23 VAL 78 66.677 -6.861 1.532
8 HG23 VAL 78 HXT VAL 78 67.965 -7.867 0.865
9 HA VAL 78 HB1 VAL 78 64.745 -9.170 2.212
No H/Q in entry = 9
Start of MODEL 17
1 H ASN 79 H ASN 79 64.214 -11.052 3.269
2 HD21 ASN 79 HD22 ASN 79 64.366 -10.880 8.220
3 HD22 ASN 79 HXT ASN 79 63.628 -12.063 9.190
4 HA ASN 79 HB1 ASN 79 65.281 -11.591 5.991
5 HB3 ASN 79 HG3 ASN 79 62.321 -11.530 5.326
6 HB2 ASN 79 HG2 ASN 79 63.172 -10.207 6.124
No H/Q in entry = 6
Start of MODEL 17
1 H ASN 80 H ASN 80 65.740 -12.881 3.428
2 HD21 ASN 80 HD22 ASN 80 62.760 -15.355 2.031
3 HD22 ASN 80 HXT ASN 80 62.083 -14.134 1.066
4 HA ASN 80 HB1 ASN 80 64.145 -15.392 3.535
5 HB3 ASN 80 HG3 ASN 80 65.391 -15.788 1.371
6 HB2 ASN 80 HG2 ASN 80 66.171 -14.223 1.601
No H/Q in entry = 6
Start of MODEL 17
1 H HIS 81 H HIS 81 65.011 -17.269 4.347
2 HD1 HIS 81 HD2 HIS 81 68.610 -16.248 7.326
3 HD2 HIS 81 HE1 HIS 81 64.457 -16.208 7.689
4 HE1 HIS 81 HE2 HIS 81 68.023 -14.148 8.615
5 HA HIS 81 HB1 HIS 81 67.953 -17.330 4.959
6 HB3 HIS 81 HG3 HIS 81 67.256 -18.655 6.955
7 HB2 HIS 81 HG2 HIS 81 65.580 -18.411 6.500
No H/Q in entry = 7
Start of MODEL 17
1 H THR 82 H THR 82 68.998 -19.318 4.557
2 HG1 THR 82 HG21 THR 82 69.476 -19.008 1.785
3 HG21 THR 82 HG22 THR 82 68.327 -22.472 1.340
4 HG22 THR 82 HG23 THR 82 69.741 -21.828 0.506
5 HG23 THR 82 HXT THR 82 69.946 -22.853 1.927
6 HA THR 82 HB1 THR 82 67.365 -21.409 3.143
7 HB THR 82 HG12 THR 82 70.284 -20.672 2.759
No H/Q in entry = 7
Start of MODEL 17
1 H LEU 83 H LEU 83 67.625 -23.518 3.858
2 HD11 LEU 83 HD12 LEU 83 65.550 -25.397 7.689
3 HD12 LEU 83 HD13 LEU 83 65.433 -23.829 8.486
4 HD13 LEU 83 HD21 LEU 83 65.044 -23.979 6.772
5 HD21 LEU 83 HD22 LEU 83 67.933 -25.341 8.727
6 HD22 LEU 83 HD23 LEU 83 69.059 -24.097 8.182
7 HG LEU 83 HXT LEU 83 67.243 -23.010 6.907
8 HD23 LEU 83 HXT LEU 83 67.718 -23.669 9.244
9 HA LEU 83 HB1 LEU 83 69.486 -23.962 6.165
10 HB3 LEU 83 HG3 LEU 83 67.787 -25.941 6.443
11 HB2 LEU 83 HG2 LEU 83 66.793 -25.008 5.323
No H/Q in entry = 11
Start of MODEL 17
1 HB2 PRO 84 HG2 PRO 84 73.513 -27.017 5.122
2 HB3 PRO 84 HG3 PRO 84 73.744 -26.292 3.521
3 HG2 PRO 84 HD2 PRO 84 73.870 -24.867 5.803
4 HG3 PRO 84 HD3 PRO 84 73.322 -24.183 4.266
5 HD2 PRO 84 HD3 PRO 84 71.726 -25.024 6.634
6 HD3 PRO 84 HXT PRO 84 71.460 -23.676 5.505
7 HA PRO 84 HB1 PRO 84 71.531 -26.523 2.990
No H/Q in entry = 7
Start of MODEL 18
1 H1 GLY -3 H1 GLY -3 62.212 -2.165 35.834
2 H2 GLY -3 H2 GLY -3 62.187 -3.461 36.934
3 H3 GLY -3 H3 GLY -3 63.206 -3.515 35.576
4 HA2 GLY -3 HA3 GLY -3 60.256 -3.728 35.661
5 HA3 GLY -3 HXT GLY -3 61.414 -4.900 35.031
No H/Q in entry = 5
Start of MODEL 18
1 H ALA -2 H ALA -2 60.246 -4.808 32.980
2 HA ALA -2 HB1 ALA -2 60.464 -2.252 31.458
3 HB1 ALA -2 HB2 ALA -2 61.650 -4.939 30.691
4 HB2 ALA -2 HB3 ALA -2 62.554 -3.486 31.117
5 HB3 ALA -2 HXT ALA -2 61.602 -3.529 29.633
No H/Q in entry = 5
Start of MODEL 18
1 H MET -1 H MET -1 59.062 -2.217 29.582
2 HB2 MET -1 HG2 MET -1 56.744 -1.400 29.295
3 HB3 MET -1 HG3 MET -1 55.424 -2.522 28.965
4 HE1 MET -1 HE2 MET -1 56.572 0.199 31.379
5 HE2 MET -1 HE3 MET -1 55.620 0.300 29.900
6 HE3 MET -1 HXT MET -1 55.044 1.076 31.382
7 HA MET -1 HB1 MET -1 57.012 -4.415 29.508
8 HG3 MET -1 HD3 MET -1 56.915 -2.200 31.586
9 HG2 MET -1 HD2 MET -1 55.720 -3.459 31.272
No H/Q in entry = 9
Start of MODEL 18
1 H ALA 0 H ALA 0 56.068 -4.788 27.391
2 HA ALA 0 HB1 ALA 0 57.856 -3.971 25.136
3 HB1 ALA 0 HB2 ALA 0 57.302 -6.410 25.894
4 HB2 ALA 0 HB3 ALA 0 57.251 -6.037 24.171
5 HB3 ALA 0 HXT ALA 0 55.754 -6.132 25.097
No H/Q in entry = 5
Start of MODEL 18
1 H MET 1 H MET 1 56.953 -3.021 23.271
2 HB2 MET 1 HG2 MET 1 56.574 -0.922 22.200
3 HB3 MET 1 HG3 MET 1 54.959 -0.228 22.044
4 HE1 MET 1 HE2 MET 1 58.265 0.231 23.297
5 HE2 MET 1 HE3 MET 1 57.788 1.155 21.866
6 HE3 MET 1 HXT MET 1 58.657 1.944 23.180
7 HA MET 1 HB1 MET 1 54.106 -2.100 23.516
8 HG3 MET 1 HD3 MET 1 56.520 -0.617 24.614
9 HG2 MET 1 HD2 MET 1 54.844 -0.075 24.544
No H/Q in entry = 9
Start of MODEL 18
1 H SER 2 H SER 2 52.747 -2.381 21.724
2 HG SER 2 HXT SER 2 50.363 -1.973 19.108
3 HA SER 2 HB1 SER 2 53.335 -4.501 19.856
4 HB3 SER 2 HG3 SER 2 51.087 -3.806 20.731
5 HB2 SER 2 HG2 SER 2 51.132 -3.927 18.974
No H/Q in entry = 5
Start of MODEL 18
1 H GLY 3 H GLY 3 53.550 -0.974 19.669
2 HA2 GLY 3 HA3 GLY 3 53.796 0.265 17.545
3 HA3 GLY 3 HXT GLY 3 54.471 -1.201 16.831
No H/Q in entry = 3
Start of MODEL 18
1 H GLY 4 H GLY 4 56.471 -2.020 18.242
2 HA2 GLY 4 HA3 GLY 4 58.571 -1.552 19.241
3 HA3 GLY 4 HXT GLY 4 58.072 0.130 19.428
No H/Q in entry = 3
Start of MODEL 18
1 H LEU 5 H LEU 5 60.512 0.114 18.607
2 HD11 LEU 5 HD12 LEU 5 61.810 3.734 16.034
3 HD12 LEU 5 HD13 LEU 5 62.784 3.521 14.579
4 HD13 LEU 5 HD21 LEU 5 61.312 2.576 14.800
5 HD21 LEU 5 HD22 LEU 5 64.689 1.834 17.282
6 HD22 LEU 5 HD23 LEU 5 64.937 2.753 15.797
7 HG LEU 5 HXT LEU 5 63.229 1.158 15.289
8 HD23 LEU 5 HXT LEU 5 63.994 3.447 17.117
9 HA LEU 5 HB1 LEU 5 60.436 1.037 15.827
10 HB3 LEU 5 HG3 LEU 5 62.763 0.691 17.746
11 HB2 LEU 5 HG2 LEU 5 61.700 2.098 17.729
No H/Q in entry = 11
Start of MODEL 18
1 HB2 PRO 6 HG2 PRO 6 63.212 -1.260 11.951
2 HB3 PRO 6 HG3 PRO 6 61.836 -2.364 11.769
3 HG2 PRO 6 HD2 PRO 6 61.621 0.311 11.502
4 HG3 PRO 6 HD3 PRO 6 60.300 -0.716 12.078
5 HD2 PRO 6 HD3 PRO 6 62.090 1.095 13.615
6 HD3 PRO 6 HXT PRO 6 60.378 0.694 13.875
7 HA PRO 6 HB1 PRO 6 61.787 -2.825 14.009
No H/Q in entry = 7
Start of MODEL 18
1 H GLU 7 H GLU 7 63.782 -4.030 13.785
2 HB2 GLU 7 HG2 GLU 7 65.689 -5.339 13.365
3 HB3 GLU 7 HG3 GLU 7 67.000 -5.292 14.544
4 HA GLU 7 HB1 GLU 7 65.893 -3.277 15.580
5 HG3 GLU 7 HD3 GLU 7 64.050 -5.629 15.158
6 HG2 GLU 7 HD2 GLU 7 65.316 -5.472 16.375
No H/Q in entry = 6
Start of MODEL 18
1 H LEU 8 H LEU 8 67.517 -1.831 15.206
2 HD11 LEU 8 HD12 LEU 8 69.885 1.826 15.941
3 HD12 LEU 8 HD13 LEU 8 68.290 2.281 16.540
4 HD13 LEU 8 HD21 LEU 8 69.021 0.758 17.047
5 HD21 LEU 8 HD22 LEU 8 68.742 2.058 13.407
6 HD22 LEU 8 HD23 LEU 8 67.122 1.365 13.328
7 HG LEU 8 HXT LEU 8 67.383 0.217 15.372
8 HD23 LEU 8 HXT LEU 8 67.472 2.661 14.473
9 HA LEU 8 HB1 LEU 8 68.027 -0.541 12.695
10 HB3 LEU 8 HG3 LEU 8 70.045 0.294 13.931
11 HB2 LEU 8 HG2 LEU 8 69.684 -0.856 15.217
No H/Q in entry = 11
Start of MODEL 18
1 H GLY 9 H GLY 9 70.044 -0.689 11.416
2 HA2 GLY 9 HA3 GLY 9 71.847 -2.953 11.759
3 HA3 GLY 9 HXT GLY 9 71.891 -1.766 10.475
No H/Q in entry = 3
Start of MODEL 18
1 H SER 10 H SER 10 68.753 -2.880 10.472
2 HG SER 10 HXT SER 10 65.809 -4.504 10.480
3 HA SER 10 HB1 SER 10 68.904 -5.438 9.206
4 HB3 SER 10 HG3 SER 10 66.622 -4.820 8.410
5 HB2 SER 10 HG2 SER 10 66.922 -3.159 8.909
No H/Q in entry = 5
Start of MODEL 18
1 H LYS 11 H LYS 11 69.323 -6.026 7.083
2 HB2 LYS 11 HG2 LYS 11 71.042 -5.976 3.933
3 HB3 LYS 11 HG3 LYS 11 71.406 -6.297 5.625
4 HG2 LYS 11 HG3 LYS 11 69.118 -7.424 5.775
5 HG3 LYS 11 HD2 LYS 11 69.046 -7.304 4.019
6 HD2 LYS 11 HD3 LYS 11 71.366 -8.591 5.470
7 HE2 LYS 11 HE3 LYS 11 70.368 -8.634 2.597
8 HE3 LYS 11 HZ1 LYS 11 71.887 -7.933 3.189
9 HZ1 LYS 11 HZ2 LYS 11 72.538 -10.114 4.005
10 HZ2 LYS 11 HZ3 LYS 11 71.096 -10.789 3.420
11 HD3 LYS 11 HXT LYS 11 69.956 -9.502 4.929
12 HZ3 LYS 11 HXT LYS 11 72.245 -10.171 2.333
13 HA LYS 11 HB1 LYS 11 70.463 -4.013 5.276
No H/Q in entry = 13
Start of MODEL 18
1 H ILE 12 H ILE 12 69.296 -2.909 3.774
2 HB ILE 12 HG12 ILE 12 67.510 -1.169 3.311
3 HG12 ILE 12 HG13 ILE 12 65.487 -2.852 4.824
4 HG13 ILE 12 HG21 ILE 12 67.136 -2.574 5.380
5 HG21 ILE 12 HG22 ILE 12 65.862 -1.484 1.462
6 HG22 ILE 12 HG23 ILE 12 64.800 -2.333 2.585
7 HD11 ILE 12 HD12 ILE 12 66.694 -0.109 5.297
8 HD12 ILE 12 HD13 ILE 12 65.013 -0.464 4.897
9 HG23 ILE 12 HXT ILE 12 65.167 -0.626 2.837
10 HD13 ILE 12 HXT ILE 12 65.672 -0.958 6.457
11 HA ILE 12 HB1 ILE 12 66.672 -4.059 2.869
No H/Q in entry = 11
Start of MODEL 18
1 H SER 13 H SER 13 66.250 -3.985 0.667
2 HG SER 13 HXT SER 13 68.292 -4.956 -3.167
3 HA SER 13 HB1 SER 13 68.439 -3.061 -1.142
4 HB3 SER 13 HG3 SER 13 65.986 -4.789 -1.633
5 HB2 SER 13 HG2 SER 13 67.585 -5.414 -1.235
No H/Q in entry = 5
Start of MODEL 18
1 H LEU 14 H LEU 14 68.000 -1.443 -2.677
2 HD11 LEU 14 HD12 LEU 14 65.411 1.547 0.005
3 HD12 LEU 14 HD13 LEU 14 64.586 2.971 -0.628
4 HD13 LEU 14 HD21 LEU 14 64.363 1.404 -1.406
5 HD21 LEU 14 HD22 LEU 14 67.750 3.061 -0.444
6 HD22 LEU 14 HD23 LEU 14 67.690 3.918 -1.985
7 HG LEU 14 HXT LEU 14 65.907 2.613 -2.785
8 HD23 LEU 14 HXT LEU 14 66.441 4.197 -0.771
9 HA LEU 14 HB1 LEU 14 65.359 -0.050 -2.422
10 HB3 LEU 14 HG3 LEU 14 68.049 1.325 -2.434
11 HB2 LEU 14 HG2 LEU 14 67.361 0.701 -0.935
No H/Q in entry = 11
Start of MODEL 18
1 H ILE 15 H ILE 15 64.547 0.416 -4.440
2 HB ILE 15 HG12 ILE 15 63.399 0.018 -6.558
3 HG12 ILE 15 HG13 ILE 15 65.491 -2.088 -7.173
4 HG13 ILE 15 HG21 ILE 15 64.872 -1.807 -5.547
5 HG21 ILE 15 HG22 ILE 15 64.234 0.904 -8.760
6 HG22 ILE 15 HG23 ILE 15 65.234 -0.541 -8.909
7 HD11 ILE 15 HD12 ILE 15 62.539 -2.135 -6.493
8 HD12 ILE 15 HD13 ILE 15 63.306 -2.679 -7.986
9 HG23 ILE 15 HXT ILE 15 63.476 -0.684 -8.882
10 HD13 ILE 15 HXT ILE 15 63.552 -3.580 -6.489
11 HA ILE 15 HB1 ILE 15 66.419 0.349 -6.780
No H/Q in entry = 11
Start of MODEL 18
1 H SER 16 H SER 16 66.948 2.346 -7.543
2 HG SER 16 HXT SER 16 67.926 3.716 -6.007
3 HA SER 16 HB1 SER 16 65.310 4.716 -6.854
4 HB3 SER 16 HG3 SER 16 67.322 5.893 -7.732
5 HB2 SER 16 HG2 SER 16 68.006 4.332 -8.179
No H/Q in entry = 5
Start of MODEL 18
1 H LYS 17 H LYS 17 64.808 6.322 -8.544
2 HB2 LYS 17 HG2 LYS 17 63.184 7.572 -9.479
3 HB3 LYS 17 HG3 LYS 17 64.513 7.982 -10.564
4 HG2 LYS 17 HG3 LYS 17 63.061 7.440 -12.508
5 HG3 LYS 17 HD2 LYS 17 61.729 7.115 -11.399
6 HD2 LYS 17 HD3 LYS 17 61.965 9.453 -10.521
7 HE2 LYS 17 HE3 LYS 17 61.581 9.596 -13.510
8 HE3 LYS 17 HZ1 LYS 17 60.437 8.684 -12.504
9 HZ1 LYS 17 HZ2 LYS 17 60.214 10.628 -11.073
10 HZ2 LYS 17 HZ3 LYS 17 61.271 11.505 -12.068
11 HD3 LYS 17 HXT LYS 17 63.165 9.757 -11.777
12 HZ3 LYS 17 HXT LYS 17 59.763 11.000 -12.668
13 HA LYS 17 HB1 LYS 17 63.133 5.289 -10.550
No H/Q in entry = 13
Start of MODEL 18
1 H ALA 18 H ALA 18 66.586 5.575 -10.739
2 HA ALA 18 HB1 ALA 18 66.651 5.776 -13.686
3 HB1 ALA 18 HB2 ALA 18 69.182 5.500 -13.071
4 HB2 ALA 18 HB3 ALA 18 68.360 6.982 -12.582
5 HB3 ALA 18 HXT ALA 18 68.631 5.694 -11.405
No H/Q in entry = 5
Start of MODEL 18
1 H ASP 19 H ASP 19 65.538 3.342 -12.109
2 HA ASP 19 HB1 ASP 19 65.667 0.997 -12.106
3 HB3 ASP 19 HG3 ASP 19 66.509 0.062 -14.273
4 HB2 ASP 19 HG2 ASP 19 67.097 1.665 -14.704
No H/Q in entry = 4
Start of MODEL 18
1 H ILE 20 H ILE 20 67.759 2.522 -10.742
2 HB ILE 20 HG12 ILE 20 69.724 3.295 -9.444
3 HG12 ILE 20 HG13 ILE 20 71.113 2.980 -12.126
4 HG13 ILE 20 HG21 ILE 20 69.488 3.626 -11.924
5 HG21 ILE 20 HG22 ILE 20 72.235 1.787 -10.246
6 HG22 ILE 20 HG23 ILE 20 72.223 3.356 -9.440
7 HD11 ILE 20 HD12 ILE 20 70.487 5.349 -10.340
8 HD12 ILE 20 HD13 ILE 20 72.074 4.802 -10.883
9 HG23 ILE 20 HXT ILE 20 71.580 1.935 -8.615
10 HD13 ILE 20 HXT ILE 20 70.949 5.523 -12.033
11 HA ILE 20 HB1 ILE 20 70.167 0.774 -11.089
No H/Q in entry = 11
Start of MODEL 18
1 H ARG 21 H ARG 21 70.810 -0.596 -9.394
2 HB2 ARG 21 HG2 ARG 21 69.352 -2.776 -8.760
3 HB3 ARG 21 HG3 ARG 21 71.009 -2.782 -8.154
4 HG2 ARG 21 HD2 ARG 21 70.307 -3.401 -5.957
5 HG3 ARG 21 HD3 ARG 21 68.615 -3.066 -6.328
6 HD2 ARG 21 HD3 ARG 21 68.937 -5.480 -6.400
7 HE ARG 21 HH12 ARG 21 71.459 -4.721 -7.680
8 HH11 ARG 21 HH21 ARG 21 69.135 -7.305 -7.261
9 HH12 ARG 21 HH22 ARG 21 70.301 -8.538 -7.584
10 HD3 ARG 21 HXT ARG 21 68.730 -4.914 -8.069
11 HH21 ARG 21 HXT ARG 21 72.930 -6.351 -8.092
12 HH22 ARG 21 H1 ARG 21 72.426 -8.008 -8.050
13 HA ARG 21 HB1 ARG 21 68.856 -0.890 -7.148
No H/Q in entry = 13
Start of MODEL 18
1 H TYR 22 H TYR 22 69.515 0.032 -5.283
2 HD1 TYR 22 HD2 TYR 22 73.538 2.869 -4.181
3 HD2 TYR 22 HE1 TYR 22 69.628 2.575 -6.009
4 HE1 TYR 22 HE2 TYR 22 74.228 4.515 -5.924
5 HE2 TYR 22 HH TYR 22 70.320 4.224 -7.759
6 HH TYR 22 HXT TYR 22 72.499 6.268 -7.598
7 HA TYR 22 HB1 TYR 22 72.427 0.033 -4.569
8 HB3 TYR 22 HG3 TYR 22 71.642 1.856 -2.994
9 HB2 TYR 22 HG2 TYR 22 70.062 1.732 -3.739
No H/Q in entry = 9
Start of MODEL 18
1 H GLU 23 H GLU 23 72.962 -0.777 -2.464
2 HB2 GLU 23 HG2 GLU 23 71.680 -3.579 -2.303
3 HB3 GLU 23 HG3 GLU 23 73.234 -3.341 -1.502
4 HA GLU 23 HB1 GLU 23 70.711 -1.815 -0.780
5 HG3 GLU 23 HD3 GLU 23 70.653 -4.254 -0.197
6 HG2 GLU 23 HD2 GLU 23 72.139 -3.889 0.681
No H/Q in entry = 6
Start of MODEL 18
1 H GLY 24 H GLY 24 71.144 -1.599 1.449
2 HA2 GLY 24 HA3 GLY 24 72.898 0.406 2.303
3 HA3 GLY 24 HXT GLY 24 73.812 -1.090 2.478
No H/Q in entry = 3
Start of MODEL 18
1 H ARG 25 H ARG 25 73.649 -0.192 4.805
2 HB2 ARG 25 HG2 ARG 25 73.934 -0.017 7.072
3 HB3 ARG 25 HG3 ARG 25 72.937 -0.930 8.204
4 HG2 ARG 25 HD2 ARG 25 73.489 -3.017 6.953
5 HG3 ARG 25 HD3 ARG 25 74.568 -2.078 5.921
6 HD2 ARG 25 HD3 ARG 25 75.815 -1.362 8.002
7 HE ARG 25 HH12 ARG 25 76.043 -3.701 6.529
8 HH11 ARG 25 HH21 ARG 25 76.568 -2.899 9.897
9 HH12 ARG 25 HH22 ARG 25 77.773 -4.120 10.101
10 HD3 ARG 25 HXT ARG 25 74.832 -2.525 8.912
11 HH21 ARG 25 HXT ARG 25 77.607 -5.264 6.842
12 HH22 ARG 25 H1 ARG 25 78.357 -5.445 8.393
13 HA ARG 25 HB1 ARG 25 71.588 -1.745 6.232
No H/Q in entry = 13
Start of MODEL 18
1 H LEU 26 H LEU 26 69.761 -0.870 7.163
2 HD11 LEU 26 HD12 LEU 26 66.925 2.030 6.287
3 HD12 LEU 26 HD13 LEU 26 65.377 1.304 6.719
4 HD13 LEU 26 HD21 LEU 26 65.743 2.957 7.211
5 HD21 LEU 26 HD22 LEU 26 66.112 0.387 10.096
6 HD22 LEU 26 HD23 LEU 26 64.922 1.515 9.448
7 HG LEU 26 HXT LEU 26 67.194 2.279 8.902
8 HD23 LEU 26 HXT LEU 26 65.224 -0.016 8.626
9 HA LEU 26 HB1 LEU 26 68.893 1.836 6.788
10 HB3 LEU 26 HG3 LEU 26 68.074 -0.150 8.924
11 HB2 LEU 26 HG2 LEU 26 67.531 -0.225 7.249
No H/Q in entry = 11
Start of MODEL 18
1 H TYR 27 H TYR 27 69.821 3.615 7.802
2 HD1 TYR 27 HD2 TYR 27 72.992 3.903 11.294
3 HD2 TYR 27 HE1 TYR 27 71.952 7.613 9.331
4 HE1 TYR 27 HE2 TYR 27 74.323 5.168 12.984
5 HE2 TYR 27 HH TYR 27 73.282 8.879 11.023
6 HH TYR 27 HXT TYR 27 75.553 7.588 12.927
7 HA TYR 27 HB1 TYR 27 71.048 3.296 10.501
8 HB3 TYR 27 HG3 TYR 27 71.047 5.610 8.549
9 HB2 TYR 27 HG2 TYR 27 72.251 4.334 8.564
No H/Q in entry = 9
Start of MODEL 18
1 H THR 28 H THR 28 68.771 5.468 8.773
2 HG1 THR 28 HG21 THR 28 69.193 9.011 9.791
3 HG21 THR 28 HG22 THR 28 68.576 6.836 12.695
4 HG22 THR 28 HG23 THR 28 70.015 6.961 11.682
5 HG23 THR 28 HXT THR 28 69.309 8.412 12.396
6 HA THR 28 HB1 THR 28 67.175 5.801 11.247
7 HB THR 28 HG12 THR 28 67.438 8.349 10.949
No H/Q in entry = 7
Start of MODEL 18
1 H VAL 29 H VAL 29 65.085 6.749 10.804
2 HB VAL 29 HG12 VAL 29 64.102 4.821 8.462
3 HG11 VAL 29 HG12 VAL 29 63.660 5.121 10.902
4 HG12 VAL 29 HG13 VAL 29 62.072 5.776 10.504
5 HG13 VAL 29 HG21 VAL 29 62.457 4.101 10.112
6 HG21 VAL 29 HG22 VAL 29 61.748 6.586 7.870
7 HG22 VAL 29 HG23 VAL 29 62.587 5.449 6.816
8 HG23 VAL 29 HXT VAL 29 61.487 4.852 8.059
9 HA VAL 29 HB1 VAL 29 64.408 7.238 7.943
No H/Q in entry = 9
Start of MODEL 18
1 H ASP 30 H ASP 30 62.688 8.708 7.683
2 HA ASP 30 HB1 ASP 30 61.340 9.683 10.181
3 HB3 ASP 30 HG3 ASP 30 61.938 11.451 7.824
4 HB2 ASP 30 HG2 ASP 30 63.237 11.060 8.950
No H/Q in entry = 4
Start of MODEL 18
1 HB2 PRO 31 HG2 PRO 31 56.082 8.252 9.196
2 HB3 PRO 31 HG3 PRO 31 57.155 6.854 9.000
3 HG2 PRO 31 HD2 PRO 31 57.239 9.038 11.008
4 HG3 PRO 31 HD3 PRO 31 57.631 7.320 11.185
5 HD2 PRO 31 HD3 PRO 31 59.525 9.239 11.008
6 HD3 PRO 31 HXT PRO 31 59.770 7.589 10.395
7 HA PRO 31 HB1 PRO 31 58.151 8.081 7.340
No H/Q in entry = 7
Start of MODEL 18
1 H GLN 32 H GLN 32 57.706 10.898 9.494
2 HB2 GLN 32 HG2 GLN 32 57.047 13.006 10.241
3 HB3 GLN 32 HG3 GLN 32 55.601 13.778 9.591
4 HE21 GLN 32 HE22 GLN 32 56.247 11.614 12.955
5 HE22 GLN 32 HXT GLN 32 55.332 12.737 13.840
6 HA GLN 32 HB1 GLN 32 55.438 11.899 7.911
7 HG3 GLN 32 HD3 GLN 32 55.763 11.001 10.799
8 HG2 GLN 32 HD2 GLN 32 54.319 11.691 10.055
No H/Q in entry = 8
Start of MODEL 18
1 H GLU 33 H GLU 33 58.897 12.535 8.162
2 HB2 GLU 33 HG2 GLU 33 61.007 13.254 7.573
3 HB3 GLU 33 HG3 GLU 33 61.250 14.649 6.522
4 HA GLU 33 HB1 GLU 33 58.750 14.782 6.247
5 HG3 GLU 33 HD3 GLU 33 61.205 15.204 8.987
6 HG2 GLU 33 HD2 GLU 33 59.513 14.708 9.005
No H/Q in entry = 6
Start of MODEL 18
1 H CYS 34 H CYS 34 58.268 11.577 5.762
2 HG CYS 34 HXT CYS 34 58.732 14.058 2.479
3 HA CYS 34 HB1 CYS 34 58.489 10.143 3.940
4 HB3 CYS 34 HG3 CYS 34 57.170 12.227 3.217
5 HB2 CYS 34 HG2 CYS 34 57.777 11.177 1.949
No H/Q in entry = 5
Start of MODEL 18
1 H THR 35 H THR 35 61.042 10.724 5.189
2 HG1 THR 35 HG21 THR 35 63.414 13.197 5.825
3 HG21 THR 35 HG22 THR 35 61.909 12.884 2.812
4 HG22 THR 35 HG23 THR 35 62.908 14.106 3.595
5 HG23 THR 35 HXT THR 35 63.594 13.080 2.335
6 HA THR 35 HB1 THR 35 62.862 10.540 2.810
7 HB THR 35 HG12 THR 35 64.402 12.040 4.251
No H/Q in entry = 7
Start of MODEL 18
1 H ILE 36 H ILE 36 64.840 9.389 3.254
2 HB ILE 36 HG12 ILE 36 65.401 5.911 4.802
3 HG12 ILE 36 HG13 ILE 36 64.358 7.286 2.308
4 HG13 ILE 36 HG21 ILE 36 66.073 6.974 2.575
5 HG21 ILE 36 HG22 ILE 36 63.116 6.971 5.573
6 HG22 ILE 36 HG23 ILE 36 62.768 6.992 3.844
7 HD11 ILE 36 HD12 ILE 36 63.905 4.853 2.593
8 HD12 ILE 36 HD13 ILE 36 64.992 5.173 1.242
9 HG23 ILE 36 HXT ILE 36 63.121 5.465 4.655
10 HD13 ILE 36 HXT ILE 36 65.637 4.573 2.770
11 HA ILE 36 HB1 ILE 36 65.096 8.116 5.938
No H/Q in entry = 11
Start of MODEL 18
1 H ALA 37 H ALA 37 67.282 7.199 6.268
2 HA ALA 37 HB1 ALA 37 69.334 8.054 4.267
3 HB1 ALA 37 HB2 ALA 37 68.873 9.524 6.444
4 HB2 ALA 37 HB3 ALA 37 70.519 9.250 5.871
5 HB3 ALA 37 HXT ALA 37 69.878 8.290 7.207
No H/Q in entry = 5
Start of MODEL 18
1 H LEU 38 H LEU 38 70.679 6.384 3.800
2 HD11 LEU 38 HD12 LEU 38 69.404 3.778 1.140
3 HD12 LEU 38 HD13 LEU 38 69.479 2.123 1.746
4 HD13 LEU 38 HD21 LEU 38 67.943 2.989 1.736
5 HD21 LEU 38 HD22 LEU 38 69.483 1.834 4.465
6 HD22 LEU 38 HD23 LEU 38 68.586 3.136 5.247
7 HG LEU 38 HXT LEU 38 68.817 4.573 3.410
8 HD23 LEU 38 HXT LEU 38 67.834 2.198 3.957
9 HA LEU 38 HB1 LEU 38 70.655 3.986 5.599
10 HB3 LEU 38 HG3 LEU 38 71.276 2.803 3.483
11 HB2 LEU 38 HG2 LEU 38 71.215 4.347 2.634
No H/Q in entry = 11
Start of MODEL 18
1 H SER 39 H SER 39 72.687 3.014 6.116
2 HG SER 39 HXT SER 39 74.978 2.429 8.742
3 HA SER 39 HB1 SER 39 75.085 4.736 5.546
4 HB3 SER 39 HG3 SER 39 74.197 4.768 7.886
5 HB2 SER 39 HG2 SER 39 75.820 4.087 7.801
No H/Q in entry = 5
Start of MODEL 18
1 H SER 40 H SER 40 77.110 3.528 5.316
2 HG SER 40 HXT SER 40 76.697 -1.060 6.159
3 HA SER 40 HB1 SER 40 78.269 1.925 4.026
4 HB3 SER 40 HG3 SER 40 78.013 1.036 6.413
5 HB2 SER 40 HG2 SER 40 78.368 -0.168 5.182
No H/Q in entry = 5
Start of MODEL 18
1 H VAL 41 H VAL 41 77.127 2.361 2.045
2 HB VAL 41 HG12 VAL 41 74.043 2.243 1.853
3 HG11 VAL 41 HG12 VAL 41 75.915 3.806 1.264
4 HG12 VAL 41 HG13 VAL 41 75.540 3.531 -0.440
5 HG13 VAL 41 HG21 VAL 41 74.351 4.299 0.612
6 HG21 VAL 41 HG22 VAL 41 74.054 1.169 -0.930
7 HG22 VAL 41 HG23 VAL 41 72.757 1.195 0.263
8 HG23 VAL 41 HXT VAL 41 73.140 2.650 -0.652
9 HA VAL 41 HB1 VAL 41 75.276 0.166 1.214
No H/Q in entry = 9
Start of MODEL 18
1 H ARG 42 H ARG 42 75.450 -0.382 -1.022
2 HB2 ARG 42 HG2 ARG 42 78.426 -1.233 -3.251
3 HB3 ARG 42 HG3 ARG 42 78.507 -1.004 -1.506
4 HG2 ARG 42 HD2 ARG 42 76.295 -2.209 -1.324
5 HG3 ARG 42 HD3 ARG 42 76.420 -2.576 -3.044
6 HD2 ARG 42 HD3 ARG 42 78.623 -3.693 -2.602
7 HE ARG 42 HH12 ARG 42 76.001 -4.617 -1.685
8 HH11 ARG 42 HH21 ARG 42 79.378 -5.481 -2.003
9 HH12 ARG 42 HH22 ARG 42 79.044 -7.176 -2.030
10 HD3 ARG 42 HXT ARG 42 78.360 -3.434 -0.867
11 HH21 ARG 42 HXT ARG 42 75.618 -6.817 -1.723
12 HH22 ARG 42 H1 ARG 42 76.940 -7.927 -1.873
13 HA ARG 42 HB1 ARG 42 77.579 1.008 -2.597
No H/Q in entry = 13
Start of MODEL 18
1 H SER 43 H SER 43 77.260 0.857 -4.906
2 HG SER 43 HXT SER 43 76.726 2.152 -8.147
3 HA SER 43 HB1 SER 43 74.471 0.106 -5.705
4 HB3 SER 43 HG3 SER 43 75.309 2.473 -5.941
5 HB2 SER 43 HG2 SER 43 74.801 1.756 -7.466
No H/Q in entry = 5
Start of MODEL 18
1 H PHE 44 H PHE 44 74.179 -1.374 -7.398
2 HD1 PHE 44 HD2 PHE 44 75.693 -5.952 -7.491
3 HD2 PHE 44 HE1 PHE 44 72.731 -3.032 -6.308
4 HE1 PHE 44 HE2 PHE 44 75.374 -7.152 -5.325
5 HE2 PHE 44 HZ PHE 44 72.412 -4.232 -4.143
6 HZ PHE 44 HXT PHE 44 73.734 -6.292 -3.651
7 HA PHE 44 HB1 PHE 44 76.459 -3.170 -7.879
8 HB3 PHE 44 HG3 PHE 44 74.595 -4.412 -9.137
9 HB2 PHE 44 HG2 PHE 44 73.525 -3.138 -8.582
No H/Q in entry = 9
Start of MODEL 18
1 H GLY 45 H GLY 45 74.398 -1.015 -9.861
2 HA2 GLY 45 HA3 GLY 45 75.749 -1.653 -12.344
3 HA3 GLY 45 HXT GLY 45 76.391 -0.190 -11.607
No H/Q in entry = 3
Start of MODEL 18
1 H THR 46 H THR 46 75.504 0.704 -13.705
2 HG1 THR 46 HG21 THR 46 75.509 3.700 -14.822
3 HG21 THR 46 HG22 THR 46 73.306 2.837 -12.055
4 HG22 THR 46 HG23 THR 46 74.235 4.257 -12.538
5 HG23 THR 46 HXT THR 46 72.549 4.098 -13.028
6 HA THR 46 HB1 THR 46 72.561 1.276 -13.519
7 HB THR 46 HG12 THR 46 73.431 3.319 -14.970
No H/Q in entry = 7
Start of MODEL 18
1 H GLU 47 H GLU 47 74.479 -0.758 -15.136
2 HB2 GLU 47 HG2 GLU 47 75.636 -2.062 -16.558
3 HB3 GLU 47 HG3 GLU 47 74.051 -2.803 -16.767
4 HA GLU 47 HB1 GLU 47 74.769 -0.053 -17.805
5 HG3 GLU 47 HD3 GLU 47 75.933 -1.920 -18.974
6 HG2 GLU 47 HD2 GLU 47 74.296 -2.518 -19.241
No H/Q in entry = 6
Start of MODEL 18
1 H ASP 48 H ASP 48 71.782 -1.076 -16.235
2 HA ASP 48 HB1 ASP 48 70.326 -1.913 -18.572
3 HB3 ASP 48 HG3 ASP 48 68.355 -1.443 -17.069
4 HB2 ASP 48 HG2 ASP 48 69.472 -0.711 -15.918
No H/Q in entry = 4
Start of MODEL 18
1 H ARG 49 H ARG 49 70.027 1.187 -16.778
2 HB2 ARG 49 HG2 ARG 49 69.285 3.310 -16.310
3 HB3 ARG 49 HG3 ARG 49 68.587 4.367 -17.538
4 HG2 ARG 49 HD2 ARG 49 67.531 1.589 -16.956
5 HG3 ARG 49 HD3 ARG 49 66.899 3.042 -16.184
6 HD2 ARG 49 HD3 ARG 49 66.411 3.991 -18.453
7 HE ARG 49 HH12 ARG 49 64.436 2.923 -17.693
8 HH11 ARG 49 HH21 ARG 49 66.832 0.523 -18.556
9 HH12 ARG 49 HH22 ARG 49 65.728 -0.793 -18.358
10 HD3 ARG 49 HXT ARG 49 66.912 2.445 -19.163
11 HH21 ARG 49 HXT ARG 49 63.046 1.190 -17.449
12 HH22 ARG 49 H1 ARG 49 63.609 -0.422 -17.738
13 HA ARG 49 HB1 ARG 49 68.943 2.502 -19.211
No H/Q in entry = 13
Start of MODEL 18
1 H ASP 50 H ASP 50 71.990 1.793 -18.496
2 HA ASP 50 HB1 ASP 50 73.350 4.213 -17.857
3 HB3 ASP 50 HG3 ASP 50 74.257 1.914 -17.658
4 HB2 ASP 50 HG2 ASP 50 75.341 2.956 -18.572
No H/Q in entry = 4
Start of MODEL 18
1 H THR 51 H THR 51 75.001 5.248 -19.372
2 HG1 THR 51 HG21 THR 51 74.243 8.020 -20.306
3 HG21 THR 51 HG22 THR 51 74.863 7.931 -22.830
4 HG22 THR 51 HG23 THR 51 76.154 8.806 -22.006
5 HG23 THR 51 HXT THR 51 76.536 7.395 -22.994
6 HA THR 51 HB1 THR 51 73.794 6.150 -21.881
7 HB THR 51 HG12 THR 51 76.607 6.537 -20.812
No H/Q in entry = 7
Start of MODEL 18
1 H GLN 52 H GLN 52 75.043 5.958 -23.966
2 HB2 GLN 52 HG2 GLN 52 75.884 3.925 -26.783
3 HB3 GLN 52 HG3 GLN 52 74.458 4.623 -26.022
4 HE21 GLN 52 HE22 GLN 52 76.777 7.389 -28.461
5 HE22 GLN 52 HXT GLN 52 75.280 7.632 -29.223
6 HA GLN 52 HB1 GLN 52 75.735 3.163 -24.459
7 HG3 GLN 52 HD3 GLN 52 77.079 5.971 -26.686
8 HG2 GLN 52 HD2 GLN 52 75.960 6.669 -25.518
No H/Q in entry = 8
Start of MODEL 18
1 H PHE 53 H PHE 53 77.593 5.645 -23.166
2 HD1 PHE 53 HD2 PHE 53 78.163 6.854 -25.208
3 HD2 PHE 53 HE1 PHE 53 82.291 7.664 -24.209
4 HE1 PHE 53 HE2 PHE 53 78.444 8.079 -27.363
5 HE2 PHE 53 HZ PHE 53 82.571 8.890 -26.364
6 HZ PHE 53 HXT PHE 53 80.648 9.098 -27.942
7 HA PHE 53 HB1 PHE 53 80.130 4.540 -24.275
8 HB3 PHE 53 HG3 PHE 53 80.979 6.459 -22.718
9 HB2 PHE 53 HG2 PHE 53 79.293 6.943 -22.667
No H/Q in entry = 9
Start of MODEL 18
1 H GLN 54 H GLN 54 81.754 3.758 -22.735
2 HB2 GLN 54 HG2 GLN 54 83.460 2.901 -21.372
3 HB3 GLN 54 HG3 GLN 54 83.087 1.541 -20.313
4 HE21 GLN 54 HE22 GLN 54 83.328 -1.161 -23.262
5 HE22 GLN 54 HXT GLN 54 85.015 -1.000 -23.344
6 HA GLN 54 HB1 GLN 54 80.642 1.931 -20.798
7 HG3 GLN 54 HD3 GLN 54 82.301 1.744 -23.235
8 HG2 GLN 54 HD2 GLN 54 81.971 0.378 -22.170
No H/Q in entry = 8
Start of MODEL 18
1 H ILE 55 H ILE 55 80.494 2.094 -18.563
2 HB ILE 55 HG12 ILE 55 79.123 2.729 -16.565
3 HG12 ILE 55 HG13 ILE 55 78.867 5.533 -17.697
4 HG13 ILE 55 HG21 ILE 55 78.804 4.085 -18.700
5 HG21 ILE 55 HG22 ILE 55 79.941 5.421 -15.431
6 HG22 ILE 55 HG23 ILE 55 78.393 4.648 -15.085
7 HD11 ILE 55 HD12 ILE 55 76.960 3.263 -17.110
8 HD12 ILE 55 HD13 ILE 55 76.896 4.920 -16.513
9 HG23 ILE 55 HXT ILE 55 79.897 3.875 -14.584
10 HD13 ILE 55 HXT ILE 55 76.534 4.578 -18.204
11 HA ILE 55 HB1 ILE 55 81.329 4.694 -17.312
No H/Q in entry = 11
Start of MODEL 18
1 H ALA 56 H ALA 56 82.699 4.573 -15.546
2 HA ALA 56 HB1 ALA 56 83.739 1.887 -14.797
3 HB1 ALA 56 HB2 ALA 56 84.669 4.740 -14.363
4 HB2 ALA 56 HB3 ALA 56 85.541 3.327 -13.768
5 HB3 ALA 56 HXT ALA 56 85.335 3.569 -15.502
No H/Q in entry = 5
Start of MODEL 18
1 HB2 PRO 57 HG2 PRO 57 81.595 -0.039 -10.077
2 HB3 PRO 57 HG3 PRO 57 80.332 0.325 -11.268
3 HG2 PRO 57 HD2 PRO 57 83.017 -0.877 -11.667
4 HG3 PRO 57 HD3 PRO 57 81.486 -1.235 -12.478
5 HD2 PRO 57 HD3 PRO 57 83.460 0.244 -13.613
6 HD3 PRO 57 HXT PRO 57 81.738 0.464 -13.991
7 HA PRO 57 HB1 PRO 57 81.119 2.482 -11.109
No H/Q in entry = 7
Start of MODEL 18
1 H GLN 58 H GLN 58 81.693 2.824 -8.887
2 HB2 GLN 58 HG2 GLN 58 82.105 4.053 -6.989
3 HB3 GLN 58 HG3 GLN 58 83.738 4.415 -6.430
4 HE21 GLN 58 HE22 GLN 58 83.978 7.830 -8.517
5 HE22 GLN 58 HXT GLN 58 82.885 8.604 -7.473
6 HA GLN 58 HB1 GLN 58 84.612 3.102 -8.409
7 HG3 GLN 58 HD3 GLN 58 82.623 5.140 -9.156
8 HG2 GLN 58 HD2 GLN 58 84.242 5.521 -8.570
No H/Q in entry = 8
Start of MODEL 18
1 H SER 59 H SER 59 85.673 1.556 -7.255
2 HG SER 59 HXT SER 59 86.449 -1.589 -7.420
3 HA SER 59 HB1 SER 59 84.387 -0.705 -6.020
4 HB3 SER 59 HG3 SER 59 86.672 -1.217 -5.282
5 HB2 SER 59 HG2 SER 59 87.170 0.438 -5.617
No H/Q in entry = 5
Start of MODEL 18
1 H GLN 60 H GLN 60 85.463 2.423 -4.776
2 HB2 GLN 60 HG2 GLN 60 84.868 4.363 -3.550
3 HB3 GLN 60 HG3 GLN 60 85.166 4.338 -1.812
4 HE21 GLN 60 HE22 GLN 60 89.104 4.962 -2.217
5 HE22 GLN 60 HXT GLN 60 88.855 6.572 -2.695
6 HA GLN 60 HB1 GLN 60 85.486 1.843 -1.977
7 HG3 GLN 60 HD3 GLN 60 87.106 3.359 -3.928
8 HG2 GLN 60 HD2 GLN 60 87.398 3.383 -2.189
No H/Q in entry = 8
Start of MODEL 18
1 H ILE 61 H ILE 61 83.857 2.074 -0.380
2 HB ILE 61 HG12 ILE 61 82.309 1.441 1.388
3 HG12 ILE 61 HG13 ILE 61 83.295 -0.141 -0.222
4 HG13 ILE 61 HG21 ILE 61 82.232 -0.993 0.894
5 HG21 ILE 61 HG22 ILE 61 79.606 0.707 0.241
6 HG22 ILE 61 HG23 ILE 61 80.233 0.009 1.734
7 HD11 ILE 61 HD12 ILE 61 80.419 -0.917 -0.809
8 HD12 ILE 61 HD13 ILE 61 81.529 -0.129 -1.930
9 HG23 ILE 61 HXT ILE 61 79.947 1.746 1.624
10 HD13 ILE 61 HXT ILE 61 81.840 -1.780 -1.395
11 HA ILE 61 HB1 ILE 61 81.063 1.780 -1.365
No H/Q in entry = 11
Start of MODEL 18
1 H TYR 62 H TYR 62 79.349 3.076 -0.361
2 HD1 TYR 62 HD2 TYR 62 79.203 3.669 -2.315
3 HD2 TYR 62 HE1 TYR 62 77.958 7.760 -1.680
4 HE1 TYR 62 HE2 TYR 62 79.693 4.188 -4.706
5 HE2 TYR 62 HH TYR 62 78.449 8.280 -4.071
6 HH TYR 62 HXT TYR 62 78.613 6.299 -6.394
7 HA TYR 62 HB1 TYR 62 80.233 5.839 0.282
8 HB3 TYR 62 HG3 TYR 62 77.727 6.205 0.050
9 HB2 TYR 62 HG2 TYR 62 77.599 4.504 -0.355
No H/Q in entry = 9
Start of MODEL 18
1 H ASP 63 H ASP 63 80.653 6.154 2.440
2 HA ASP 63 HB1 ASP 63 79.813 4.721 4.692
3 HB3 ASP 63 HG3 ASP 63 80.126 7.728 4.528
4 HB2 ASP 63 HG2 ASP 63 81.487 6.606 4.474
No H/Q in entry = 4
Start of MODEL 18
1 H TYR 64 H TYR 64 78.106 7.437 3.105
2 HD1 TYR 64 HD2 TYR 64 74.258 9.906 4.024
3 HD2 TYR 64 HE1 TYR 64 75.613 8.270 7.793
4 HE1 TYR 64 HE2 TYR 64 72.151 10.667 5.112
5 HE2 TYR 64 HH TYR 64 73.502 9.036 8.876
6 HH TYR 64 HXT TYR 64 71.508 11.285 7.658
7 HA TYR 64 HB1 TYR 64 75.578 6.708 4.477
8 HB3 TYR 64 HG3 TYR 64 76.859 9.439 4.735
9 HB2 TYR 64 HG2 TYR 64 77.022 8.188 5.952
No H/Q in entry = 9
Start of MODEL 18
1 H ILE 65 H ILE 65 73.964 6.971 2.985
2 HB ILE 65 HG12 ILE 65 73.084 6.467 0.590
3 HG12 ILE 65 HG13 ILE 65 75.488 7.904 -0.594
4 HG13 ILE 65 HG21 ILE 65 75.569 6.636 0.628
5 HG21 ILE 65 HG22 ILE 65 73.245 8.886 -1.243
6 HG22 ILE 65 HG23 ILE 65 72.827 7.258 -1.777
7 HD11 ILE 65 HD12 ILE 65 74.118 5.300 -1.162
8 HD12 ILE 65 HD13 ILE 65 74.884 6.429 -2.280
9 HG23 ILE 65 HXT ILE 65 71.771 8.116 -0.654
10 HD13 ILE 65 HXT ILE 65 75.875 5.363 -1.285
11 HA ILE 65 HB1 ILE 65 74.184 9.267 1.056
No H/Q in entry = 11
Start of MODEL 18
1 H LEU 66 H LEU 66 72.507 10.671 1.269
2 HD11 LEU 66 HD12 LEU 66 69.978 11.847 4.826
3 HD12 LEU 66 HD13 LEU 66 68.362 12.554 4.831
4 HD13 LEU 66 HD21 LEU 66 68.612 10.927 4.197
5 HD21 LEU 66 HD22 LEU 66 69.851 14.413 2.111
6 HD22 LEU 66 HD23 LEU 66 68.348 14.417 3.034
7 HG LEU 66 HXT LEU 66 68.493 12.199 2.235
8 HD23 LEU 66 HXT LEU 66 69.897 14.310 3.871
9 HA LEU 66 HB1 LEU 66 70.110 9.934 2.845
10 HB3 LEU 66 HG3 LEU 66 70.894 12.524 1.468
11 HB2 LEU 66 HG2 LEU 66 71.393 12.084 3.101
No H/Q in entry = 11
Start of MODEL 18
1 H PHE 67 H PHE 67 68.074 9.637 1.927
2 HD1 PHE 67 HD2 PHE 67 68.187 8.900 -2.735
3 HD2 PHE 67 HE1 PHE 67 69.122 5.865 0.195
4 HE1 PHE 67 HE2 PHE 67 69.929 7.970 -4.248
5 HE2 PHE 67 HZ PHE 67 70.882 4.946 -1.316
6 HZ PHE 67 HXT PHE 67 71.286 6.000 -3.542
7 HA PHE 67 HB1 PHE 67 67.812 9.959 -1.039
8 HB3 PHE 67 HG3 PHE 67 66.495 7.663 -0.628
9 HB2 PHE 67 HG2 PHE 67 67.599 7.561 0.728
No H/Q in entry = 9
Start of MODEL 18
1 H ARG 68 H ARG 68 65.945 11.047 -1.516
2 HB2 ARG 68 HG2 ARG 68 64.251 12.428 -2.278
3 HB3 ARG 68 HG3 ARG 68 62.853 12.815 -1.278
4 HG2 ARG 68 HD2 ARG 68 64.395 13.584 0.523
5 HG3 ARG 68 HD3 ARG 68 65.760 13.284 -0.553
6 HD2 ARG 68 HD3 ARG 68 64.702 14.874 -2.214
7 HE ARG 68 HH12 ARG 68 66.266 15.430 0.006
8 HH11 ARG 68 HH21 ARG 68 63.740 17.175 -1.675
9 HH12 ARG 68 HH22 ARG 68 64.384 18.720 -1.239
10 HD3 ARG 68 HXT ARG 68 63.517 15.287 -0.962
11 HH21 ARG 68 HXT ARG 68 67.060 17.448 0.543
12 HH22 ARG 68 H1 ARG 68 66.242 18.874 0.001
13 HA ARG 68 HB1 ARG 68 63.765 11.256 0.478
No H/Q in entry = 13
Start of MODEL 18
1 H GLY 69 H GLY 69 61.660 10.407 0.119
2 HA2 GLY 69 HA3 GLY 69 60.042 8.927 -0.716
3 HA3 GLY 69 HXT GLY 69 61.394 7.953 -1.287
No H/Q in entry = 3
Start of MODEL 18
1 H SER 70 H SER 70 61.031 11.251 -2.405
2 HG SER 70 HXT SER 70 59.197 13.865 -3.699
3 HA SER 70 HB1 SER 70 59.353 10.777 -4.692
4 HB3 SER 70 HG3 SER 70 60.156 12.994 -5.365
5 HB2 SER 70 HG2 SER 70 61.501 12.870 -4.235
No H/Q in entry = 5
Start of MODEL 18
1 H ASP 71 H ASP 71 62.893 10.660 -4.266
2 HA ASP 71 HB1 ASP 71 63.368 10.381 -7.152
3 HB3 ASP 71 HG3 ASP 71 64.897 11.622 -5.668
4 HB2 ASP 71 HG2 ASP 71 65.733 10.273 -6.431
No H/Q in entry = 4
Start of MODEL 18
1 H ILE 72 H ILE 72 63.266 8.225 -4.334
2 HB ILE 72 HG12 ILE 72 64.008 6.491 -3.171
3 HG12 ILE 72 HG13 ILE 72 66.023 4.966 -4.788
4 HG13 ILE 72 HG21 ILE 72 65.864 6.698 -5.067
5 HG21 ILE 72 HG22 ILE 72 64.057 3.717 -4.410
6 HG22 ILE 72 HG23 ILE 72 64.500 4.092 -2.746
7 HD11 ILE 72 HD12 ILE 72 66.207 5.530 -2.306
8 HD12 ILE 72 HD13 ILE 72 67.576 6.011 -3.312
9 HG23 ILE 72 HXT ILE 72 62.839 4.323 -3.289
10 HD13 ILE 72 HXT ILE 72 66.387 7.211 -2.800
11 HA ILE 72 HB1 ILE 72 63.886 5.912 -6.119
No H/Q in entry = 11
Start of MODEL 18
1 H LYS 73 H LYS 73 62.406 4.204 -6.366
2 HB2 LYS 73 HG2 LYS 73 60.670 4.869 -8.277
3 HB3 LYS 73 HG3 LYS 73 60.755 3.137 -7.951
4 HG2 LYS 73 HG3 LYS 73 58.733 3.436 -9.168
5 HG3 LYS 73 HD2 LYS 73 58.234 3.261 -7.486
6 HD2 LYS 73 HD3 LYS 73 58.066 5.691 -7.249
7 HE2 LYS 73 HE3 LYS 73 56.673 4.773 -9.794
8 HE3 LYS 73 HZ1 LYS 73 56.099 4.432 -8.149
9 HZ1 LYS 73 HZ2 LYS 73 56.125 6.819 -7.699
10 HZ2 LYS 73 HZ3 LYS 73 56.608 7.128 -9.295
11 HD3 LYS 73 HXT LYS 73 58.647 5.912 -8.899
12 HZ3 LYS 73 HXT LYS 73 55.080 6.452 -8.988
13 HA LYS 73 HB1 LYS 73 59.598 5.149 -6.004
No H/Q in entry = 13
Start of MODEL 18
1 H ASP 74 H ASP 74 61.761 2.489 -5.171
2 HA ASP 74 HB1 ASP 74 59.497 1.184 -3.750
3 HB3 ASP 74 HG3 ASP 74 61.193 -0.298 -5.780
4 HB2 ASP 74 HG2 ASP 74 59.596 0.357 -6.142
No H/Q in entry = 4
Start of MODEL 18
1 H ILE 75 H ILE 75 60.165 0.344 -1.848
2 HB ILE 75 HG12 ILE 75 62.553 1.786 -0.537
3 HG12 ILE 75 HG13 ILE 75 62.800 -0.237 1.698
4 HG13 ILE 75 HG21 ILE 75 64.113 0.078 0.564
5 HG21 ILE 75 HG22 ILE 75 60.514 0.279 1.129
6 HG22 ILE 75 HG23 ILE 75 60.978 1.965 1.358
7 HD11 ILE 75 HD12 ILE 75 63.681 2.593 1.188
8 HD12 ILE 75 HD13 ILE 75 62.910 1.909 2.620
9 HG23 ILE 75 HXT ILE 75 60.147 1.471 -0.117
10 HD13 ILE 75 HXT ILE 75 64.609 1.575 2.289
11 HA ILE 75 HB1 ILE 75 63.041 -0.437 -1.527
No H/Q in entry = 11
Start of MODEL 18
1 H ARG 76 H ARG 76 63.331 -2.386 -0.416
2 HB2 ARG 76 HG2 ARG 76 62.487 -4.766 -1.375
3 HB3 ARG 76 HG3 ARG 76 61.402 -5.703 -0.348
4 HG2 ARG 76 HD2 ARG 76 59.612 -3.976 -0.838
5 HG3 ARG 76 HD3 ARG 76 60.702 -3.297 -2.048
6 HD2 ARG 76 HD3 ARG 76 60.816 -5.590 -3.119
7 HE ARG 76 HH12 ARG 76 58.902 -3.601 -3.399
8 HH11 ARG 76 HH21 ARG 76 58.820 -7.093 -3.635
9 HH12 ARG 76 HH22 ARG 76 57.518 -7.082 -4.772
10 HD3 ARG 76 HXT ARG 76 59.523 -6.094 -2.013
11 HH21 ARG 76 HXT ARG 76 57.222 -3.639 -4.870
12 HH22 ARG 76 H1 ARG 76 56.623 -5.150 -5.466
13 HA ARG 76 HB1 ARG 76 61.023 -3.607 1.018
No H/Q in entry = 13
Start of MODEL 18
1 H VAL 77 H VAL 77 61.689 -4.975 2.682
2 HB VAL 77 HG12 VAL 77 63.716 -6.010 5.473
3 HG11 VAL 77 HG12 VAL 77 63.547 -3.471 4.835
4 HG12 VAL 77 HG13 VAL 77 61.812 -3.781 4.814
5 HG13 VAL 77 HG21 VAL 77 62.738 -4.056 6.288
6 HG21 VAL 77 HG22 VAL 77 61.790 -7.215 4.177
7 HG22 VAL 77 HG23 VAL 77 61.464 -6.621 5.803
8 HG23 VAL 77 HXT VAL 77 60.910 -5.705 4.404
9 HA VAL 77 HB1 VAL 77 64.556 -4.968 3.370
No H/Q in entry = 9
Start of MODEL 18
1 H VAL 78 H VAL 78 65.865 -6.851 3.537
2 HB VAL 78 HG12 VAL 78 67.656 -8.409 3.066
3 HG11 VAL 78 HG12 VAL 78 67.375 -10.825 2.498
4 HG12 VAL 78 HG13 VAL 78 66.964 -10.359 0.848
5 HG13 VAL 78 HG21 VAL 78 68.575 -10.025 1.483
6 HG21 VAL 78 HG22 VAL 78 66.362 -7.840 0.393
7 HG22 VAL 78 HG23 VAL 78 67.118 -6.697 1.504
8 HG23 VAL 78 HXT VAL 78 68.114 -7.833 0.592
9 HA VAL 78 HB1 VAL 78 64.959 -9.140 1.865
No H/Q in entry = 9
Start of MODEL 18
1 H ASN 79 H ASN 79 64.414 -11.087 2.778
2 HD21 ASN 79 HD22 ASN 79 61.880 -14.247 5.404
3 HD22 ASN 79 HXT ASN 79 61.990 -14.348 7.095
4 HA ASN 79 HB1 ASN 79 65.093 -11.549 5.669
5 HB3 ASN 79 HG3 ASN 79 62.673 -12.560 4.152
6 HB2 ASN 79 HG2 ASN 79 62.680 -11.017 5.008
No H/Q in entry = 6
Start of MODEL 18
1 H ASN 80 H ASN 80 66.377 -13.324 5.950
2 HD21 ASN 80 HD22 ASN 80 69.497 -16.885 6.362
3 HD22 ASN 80 HXT ASN 80 70.084 -17.739 5.017
4 HA ASN 80 HB1 ASN 80 66.640 -15.301 3.733
5 HB3 ASN 80 HG3 ASN 80 68.272 -15.004 6.268
6 HB2 ASN 80 HG2 ASN 80 68.579 -14.043 4.821
No H/Q in entry = 6
Start of MODEL 18
1 H HIS 81 H HIS 81 65.729 -17.307 3.947
2 HD1 HIS 81 HD2 HIS 81 63.573 -20.811 3.452
3 HD2 HIS 81 HE1 HIS 81 63.460 -16.743 2.548
4 HE1 HIS 81 HE2 HIS 81 63.547 -20.639 0.925
5 HA HIS 81 HB1 HIS 81 64.858 -18.197 6.681
6 HB3 HIS 81 HG3 HIS 81 63.010 -17.548 5.230
7 HB2 HIS 81 HG2 HIS 81 62.988 -19.283 5.479
No H/Q in entry = 7
Start of MODEL 18
1 H THR 82 H THR 82 65.049 -20.477 7.105
2 HG1 THR 82 HG21 THR 82 67.951 -20.516 8.365
3 HG21 THR 82 HG22 THR 82 67.648 -24.056 6.795
4 HG22 THR 82 HG23 THR 82 68.994 -22.947 6.527
5 HG23 THR 82 HXT THR 82 68.605 -23.482 8.162
6 HA THR 82 HB1 THR 82 66.888 -21.951 5.241
7 HB THR 82 HG12 THR 82 66.661 -22.156 8.260
No H/Q in entry = 7
Start of MODEL 18
1 H LEU 83 H LEU 83 66.345 -24.102 4.795
2 HD11 LEU 83 HD12 LEU 83 63.837 -26.811 1.529
3 HD12 LEU 83 HD13 LEU 83 62.148 -27.160 1.896
4 HD13 LEU 83 HD21 LEU 83 62.701 -25.489 1.792
5 HD21 LEU 83 HD22 LEU 83 64.555 -28.238 3.778
6 HD22 LEU 83 HD23 LEU 83 63.412 -28.019 5.105
7 HG LEU 83 HXT LEU 83 62.472 -26.090 4.139
8 HD23 LEU 83 HXT LEU 83 62.847 -28.604 3.539
9 HA LEU 83 HB1 LEU 83 63.635 -24.989 5.659
10 HB3 LEU 83 HG3 LEU 83 65.430 -26.251 3.588
11 HB2 LEU 83 HG2 LEU 83 64.526 -24.778 3.232
No H/Q in entry = 11
Start of MODEL 18
1 HB2 PRO 84 HG2 PRO 84 63.848 -28.705 9.760
2 HB3 PRO 84 HG3 PRO 84 64.676 -27.192 10.175
3 HG2 PRO 84 HD2 PRO 84 62.154 -27.614 8.665
4 HG3 PRO 84 HD3 PRO 84 62.585 -26.338 9.813
5 HD2 PRO 84 HD3 PRO 84 62.565 -25.979 7.118
6 HD3 PRO 84 HXT PRO 84 63.627 -25.072 8.217
7 HA PRO 84 HB1 PRO 84 66.040 -27.728 8.397
No H/Q in entry = 7
Start of MODEL 19
1 H1 GLY -3 H1 GLY -3 59.940 -21.668 30.140
2 H2 GLY -3 H2 GLY -3 60.288 -22.741 31.410
3 H3 GLY -3 H3 GLY -3 59.209 -21.455 31.659
4 HA2 GLY -3 HA3 GLY -3 62.143 -21.330 31.282
5 HA3 GLY -3 HXT GLY -3 61.199 -20.773 32.665
No H/Q in entry = 5
Start of MODEL 19
1 H ALA -2 H ALA -2 62.377 -19.976 29.509
2 HA ALA -2 HB1 ALA -2 61.244 -17.219 29.804
3 HB1 ALA -2 HB2 ALA -2 63.609 -17.183 29.802
4 HB2 ALA -2 HB3 ALA -2 63.713 -18.433 28.563
5 HB3 ALA -2 HXT ALA -2 63.196 -16.804 28.130
No H/Q in entry = 5
Start of MODEL 19
1 H MET -1 H MET -1 60.271 -16.220 27.970
2 HB2 MET -1 HG2 MET -1 58.483 -15.323 26.823
3 HB3 MET -1 HG3 MET -1 57.672 -16.170 25.505
4 HE1 MET -1 HE2 MET -1 55.830 -17.047 25.379
5 HE2 MET -1 HE3 MET -1 54.360 -17.537 26.216
6 HE3 MET -1 HXT MET -1 54.520 -15.889 25.595
7 HA MET -1 HB1 MET -1 59.252 -18.109 25.901
8 HG3 MET -1 HD3 MET -1 57.858 -17.072 28.393
9 HG2 MET -1 HD2 MET -1 57.186 -18.053 27.090
No H/Q in entry = 9
Start of MODEL 19
1 H ALA 0 H ALA 0 59.124 -17.214 23.631
2 HA ALA 0 HB1 ALA 0 61.666 -15.825 22.929
3 HB1 ALA 0 HB2 ALA 0 59.675 -17.616 21.550
4 HB2 ALA 0 HB3 ALA 0 60.821 -16.671 20.600
5 HB3 ALA 0 HXT ALA 0 61.408 -17.855 21.768
No H/Q in entry = 5
Start of MODEL 19
1 H MET 1 H MET 1 59.224 -14.386 23.970
2 HB2 MET 1 HG2 MET 1 56.757 -13.999 22.649
3 HB3 MET 1 HG3 MET 1 57.021 -13.057 24.116
4 HE1 MET 1 HE2 MET 1 53.900 -11.219 21.417
5 HE2 MET 1 HE3 MET 1 53.845 -11.683 19.718
6 HE3 MET 1 HXT MET 1 53.699 -12.918 20.966
7 HA MET 1 HB1 MET 1 58.627 -12.682 21.569
8 HG3 MET 1 HD3 MET 1 56.734 -10.977 22.622
9 HG2 MET 1 HD2 MET 1 55.282 -11.910 22.985
No H/Q in entry = 9
Start of MODEL 19
1 H SER 2 H SER 2 60.253 -11.106 21.816
2 HG SER 2 HXT SER 2 61.718 -9.650 25.993
3 HA SER 2 HB1 SER 2 59.964 -9.263 24.113
4 HB3 SER 2 HG3 SER 2 62.681 -10.405 23.470
5 HB2 SER 2 HG2 SER 2 61.599 -11.248 24.575
No H/Q in entry = 5
Start of MODEL 19
1 H GLY 3 H GLY 3 59.567 -9.114 21.180
2 HA2 GLY 3 HA3 GLY 3 61.305 -8.090 19.453
3 HA3 GLY 3 HXT GLY 3 61.356 -6.801 20.657
No H/Q in entry = 3
Start of MODEL 19
1 H GLY 4 H GLY 4 59.905 -5.180 20.373
2 HA2 GLY 4 HA3 GLY 4 57.590 -4.423 20.024
3 HA3 GLY 4 HXT GLY 4 57.371 -5.763 18.897
No H/Q in entry = 3
Start of MODEL 19
1 H LEU 5 H LEU 5 59.950 -3.302 19.191
2 HD11 LEU 5 HD12 LEU 5 59.930 0.668 16.472
3 HD12 LEU 5 HD13 LEU 5 58.399 -0.079 16.929
4 HD13 LEU 5 HD21 LEU 5 58.846 1.492 17.593
5 HD21 LEU 5 HD22 LEU 5 59.299 -1.447 20.066
6 HD22 LEU 5 HD23 LEU 5 58.455 0.100 20.012
7 HG LEU 5 HXT LEU 5 60.524 0.560 18.974
8 HD23 LEU 5 HXT LEU 5 58.051 -1.164 18.852
9 HA LEU 5 HB1 LEU 5 59.153 -1.947 16.718
10 HB3 LEU 5 HG3 LEU 5 61.542 -0.906 17.259
11 HB2 LEU 5 HG2 LEU 5 61.327 -1.751 18.788
No H/Q in entry = 11
Start of MODEL 19
1 HB2 PRO 6 HG2 PRO 6 62.238 -2.588 12.050
2 HB3 PRO 6 HG3 PRO 6 60.614 -3.298 12.126
3 HG2 PRO 6 HD2 PRO 6 61.572 -0.661 13.098
4 HG3 PRO 6 HD3 PRO 6 60.021 -1.104 12.369
5 HD2 PRO 6 HD3 PRO 6 60.357 -0.695 15.035
6 HD3 PRO 6 HXT PRO 6 59.131 -1.792 14.362
7 HA PRO 6 HB1 PRO 6 61.459 -4.474 13.916
No H/Q in entry = 7
Start of MODEL 19
1 H GLU 7 H GLU 7 63.596 -5.155 13.792
2 HB2 GLU 7 HG2 GLU 7 65.714 -5.988 13.191
3 HB3 GLU 7 HG3 GLU 7 67.070 -5.643 14.265
4 HA GLU 7 HB1 GLU 7 65.620 -3.938 15.426
5 HG3 GLU 7 HD3 GLU 7 64.333 -6.636 15.112
6 HG2 GLU 7 HD2 GLU 7 65.645 -6.224 16.217
No H/Q in entry = 6
Start of MODEL 19
1 H LEU 8 H LEU 8 66.531 -1.976 14.919
2 HD11 LEU 8 HD12 LEU 8 67.660 2.185 15.406
3 HD12 LEU 8 HD13 LEU 8 65.945 2.363 15.774
4 HD13 LEU 8 HD21 LEU 8 66.894 1.115 16.581
5 HD21 LEU 8 HD22 LEU 8 66.445 2.054 12.892
6 HD22 LEU 8 HD23 LEU 8 65.314 0.715 12.690
7 HG LEU 8 HXT LEU 8 65.745 -0.090 14.918
8 HD23 LEU 8 HXT LEU 8 64.928 2.038 13.791
9 HA LEU 8 HB1 LEU 8 66.694 -0.805 12.305
10 HB3 LEU 8 HG3 LEU 8 68.274 0.748 13.476
11 HB2 LEU 8 HG2 LEU 8 68.273 -0.349 14.856
No H/Q in entry = 11
Start of MODEL 19
1 H GLY 9 H GLY 9 68.751 -0.348 11.116
2 HA2 GLY 9 HA3 GLY 9 71.129 -1.944 11.661
3 HA3 GLY 9 HXT GLY 9 70.882 -0.865 10.307
No H/Q in entry = 3
Start of MODEL 19
1 H SER 10 H SER 10 68.222 -2.851 10.252
2 HG SER 10 HXT SER 10 67.076 -5.883 10.446
3 HA SER 10 HB1 SER 10 69.170 -5.341 9.235
4 HB3 SER 10 HG3 SER 10 66.869 -5.454 8.263
5 HB2 SER 10 HG2 SER 10 66.655 -3.748 8.644
No H/Q in entry = 5
Start of MODEL 19
1 H LYS 11 H LYS 11 69.398 -6.068 7.032
2 HB2 LYS 11 HG2 LYS 11 71.127 -6.014 3.891
3 HB3 LYS 11 HG3 LYS 11 71.468 -6.326 5.589
4 HG2 LYS 11 HG3 LYS 11 69.219 -7.501 5.724
5 HG3 LYS 11 HD2 LYS 11 69.121 -7.352 3.970
6 HD2 LYS 11 HD3 LYS 11 71.390 -8.500 3.867
7 HE2 LYS 11 HE3 LYS 11 68.828 -9.787 4.779
8 HE3 LYS 11 HZ1 LYS 11 69.676 -9.948 3.228
9 HZ1 LYS 11 HZ2 LYS 11 71.484 -11.080 4.395
10 HZ2 LYS 11 HZ3 LYS 11 70.617 -10.985 5.851
11 HD3 LYS 11 HXT LYS 11 71.186 -8.863 5.581
12 HZ3 LYS 11 HXT LYS 11 70.019 -11.922 4.566
13 HA LYS 11 HB1 LYS 11 70.499 -4.052 5.208
No H/Q in entry = 13
Start of MODEL 19
1 H ILE 12 H ILE 12 69.339 -3.003 3.657
2 HB ILE 12 HG12 ILE 12 67.477 -1.313 3.237
3 HG12 ILE 12 HG13 ILE 12 65.456 -3.072 4.661
4 HG13 ILE 12 HG21 ILE 12 67.091 -2.797 5.262
5 HG21 ILE 12 HG22 ILE 12 64.923 -2.626 2.256
6 HG22 ILE 12 HG23 ILE 12 65.010 -0.960 2.830
7 HD11 ILE 12 HD12 ILE 12 66.561 -0.291 5.090
8 HD12 ILE 12 HD13 ILE 12 64.875 -0.774 4.901
9 HG23 ILE 12 HXT ILE 12 65.910 -1.447 1.393
10 HD13 ILE 12 HXT ILE 12 65.749 -1.181 6.378
11 HA ILE 12 HB1 ILE 12 66.754 -4.223 2.734
No H/Q in entry = 11
Start of MODEL 19
1 H SER 13 H SER 13 66.390 -4.189 0.528
2 HG SER 13 HXT SER 13 66.825 -4.417 -3.731
3 HA SER 13 HB1 SER 13 68.541 -3.126 -1.244
4 HB3 SER 13 HG3 SER 13 66.165 -4.944 -1.784
5 HB2 SER 13 HG2 SER 13 67.783 -5.511 -1.386
No H/Q in entry = 5
Start of MODEL 19
1 H LEU 14 H LEU 14 68.046 -1.502 -2.757
2 HD11 LEU 14 HD12 LEU 14 65.256 1.394 -0.088
3 HD12 LEU 14 HD13 LEU 14 64.430 2.803 -0.755
4 HD13 LEU 14 HD21 LEU 14 64.274 1.232 -1.544
5 HD21 LEU 14 HD22 LEU 14 67.550 2.960 -0.408
6 HD22 LEU 14 HD23 LEU 14 67.599 3.789 -1.963
7 HG LEU 14 HXT LEU 14 65.851 2.475 -2.852
8 HD23 LEU 14 HXT LEU 14 66.264 4.085 -0.850
9 HA LEU 14 HB1 LEU 14 65.350 -0.222 -2.499
10 HB3 LEU 14 HG3 LEU 14 68.003 1.232 -2.403
11 HB2 LEU 14 HG2 LEU 14 67.254 0.585 -0.944
No H/Q in entry = 11
Start of MODEL 19
1 H ILE 15 H ILE 15 64.554 0.333 -4.503
2 HB ILE 15 HG12 ILE 15 63.455 -0.089 -6.655
3 HG12 ILE 15 HG13 ILE 15 65.643 -2.095 -7.275
4 HG13 ILE 15 HG21 ILE 15 64.977 -1.878 -5.656
5 HG21 ILE 15 HG22 ILE 15 64.286 0.879 -8.822
6 HG22 ILE 15 HG23 ILE 15 65.351 -0.518 -8.985
7 HD11 ILE 15 HD12 ILE 15 62.719 -2.390 -6.514
8 HD12 ILE 15 HD13 ILE 15 63.384 -2.610 -8.132
9 HG23 ILE 15 HXT ILE 15 63.602 -0.738 -8.993
10 HD13 ILE 15 HXT ILE 15 63.833 -3.718 -6.836
11 HA ILE 15 HB1 ILE 15 66.462 0.365 -6.819
No H/Q in entry = 11
Start of MODEL 19
1 H SER 16 H SER 16 66.891 2.378 -7.606
2 HG SER 16 HXT SER 16 68.494 5.174 -6.146
3 HA SER 16 HB1 SER 16 65.145 4.671 -6.913
4 HB3 SER 16 HG3 SER 16 67.074 5.964 -7.648
5 HB2 SER 16 HG2 SER 16 67.810 4.523 -8.342
No H/Q in entry = 5
Start of MODEL 19
1 H LYS 17 H LYS 17 64.526 6.224 -8.605
2 HB2 LYS 17 HG2 LYS 17 64.074 7.831 -10.095
3 HB3 LYS 17 HG3 LYS 17 63.062 7.543 -11.511
4 HG2 LYS 17 HG3 LYS 17 61.337 6.526 -10.010
5 HG3 LYS 17 HD2 LYS 17 62.329 6.976 -8.624
6 HD2 LYS 17 HD3 LYS 17 62.181 9.345 -9.267
7 HE2 LYS 17 HE3 LYS 17 60.326 8.077 -7.919
8 HE3 LYS 17 HZ1 LYS 17 59.936 9.687 -8.554
9 HZ1 LYS 17 HZ2 LYS 17 59.069 8.627 -10.564
10 HZ2 LYS 17 HZ3 LYS 17 59.374 7.094 -9.896
11 HD3 LYS 17 HXT LYS 17 61.220 8.910 -10.680
12 HZ3 LYS 17 HXT LYS 17 58.221 8.114 -9.183
13 HA LYS 17 HB1 LYS 17 62.995 5.085 -10.676
No H/Q in entry = 13
Start of MODEL 19
1 H ALA 18 H ALA 18 66.412 5.594 -10.741
2 HA ALA 18 HB1 ALA 18 66.570 5.872 -13.678
3 HB1 ALA 18 HB2 ALA 18 69.093 5.678 -12.957
4 HB2 ALA 18 HB3 ALA 18 68.190 7.127 -12.514
5 HB3 ALA 18 HXT ALA 18 68.453 5.853 -11.319
No H/Q in entry = 5
Start of MODEL 19
1 H ASP 19 H ASP 19 65.524 3.348 -12.194
2 HA ASP 19 HB1 ASP 19 65.771 1.012 -12.239
3 HB3 ASP 19 HG3 ASP 19 66.737 0.178 -14.402
4 HB2 ASP 19 HG2 ASP 19 67.235 1.825 -14.777
No H/Q in entry = 4
Start of MODEL 19
1 H ILE 20 H ILE 20 67.743 2.603 -10.772
2 HB ILE 20 HG12 ILE 20 69.652 3.422 -9.377
3 HG12 ILE 20 HG13 ILE 20 71.099 3.296 -12.042
4 HG13 ILE 20 HG21 ILE 20 69.433 3.829 -11.855
5 HG21 ILE 20 HG22 ILE 20 72.253 2.104 -10.229
6 HG22 ILE 20 HG23 ILE 20 72.129 3.600 -9.303
7 HD11 ILE 20 HD12 ILE 20 70.252 5.561 -10.209
8 HD12 ILE 20 HD13 ILE 20 71.898 5.114 -10.657
9 HG23 ILE 20 HXT ILE 20 71.566 2.081 -8.605
10 HD13 ILE 20 HXT ILE 20 70.814 5.806 -11.862
11 HA ILE 20 HB1 ILE 20 70.243 0.980 -11.091
No H/Q in entry = 11
Start of MODEL 19
1 H ARG 21 H ARG 21 70.898 -0.403 -9.413
2 HB2 ARG 21 HG2 ARG 21 69.518 -2.641 -8.847
3 HB3 ARG 21 HG3 ARG 21 71.153 -2.612 -8.188
4 HG2 ARG 21 HD2 ARG 21 70.256 -3.109 -5.940
5 HG3 ARG 21 HD3 ARG 21 68.623 -3.156 -6.607
6 HD2 ARG 21 HD3 ARG 21 69.378 -4.999 -8.156
7 HE ARG 21 HH12 ARG 21 69.047 -5.165 -5.250
8 HH11 ARG 21 HH21 ARG 21 69.567 -7.015 -8.177
9 HH12 ARG 21 HH22 ARG 21 68.880 -8.452 -7.506
10 HD3 ARG 21 HXT ARG 21 70.917 -5.030 -7.275
11 HH21 ARG 21 HXT ARG 21 68.169 -7.047 -4.428
12 HH22 ARG 21 H1 ARG 21 68.098 -8.473 -5.408
13 HA ARG 21 HB1 ARG 21 68.924 -0.804 -7.198
No H/Q in entry = 13
Start of MODEL 19
1 H TYR 22 H TYR 22 69.540 0.124 -5.315
2 HD1 TYR 22 HD2 TYR 22 73.498 3.003 -4.226
3 HD2 TYR 22 HE1 TYR 22 69.530 2.664 -5.916
4 HE1 TYR 22 HE2 TYR 22 74.096 4.685 -5.970
5 HE2 TYR 22 HH TYR 22 70.128 4.351 -7.667
6 HH TYR 22 HXT TYR 22 73.315 5.288 -8.299
7 HA TYR 22 HB1 TYR 22 72.441 0.144 -4.556
8 HB3 TYR 22 HG3 TYR 22 71.662 1.945 -2.985
9 HB2 TYR 22 HG2 TYR 22 70.060 1.800 -3.676
No H/Q in entry = 9
Start of MODEL 19
1 H GLU 23 H GLU 23 72.959 -0.749 -2.493
2 HB2 GLU 23 HG2 GLU 23 71.652 -3.529 -2.366
3 HB3 GLU 23 HG3 GLU 23 73.203 -3.320 -1.552
4 HA GLU 23 HB1 GLU 23 70.693 -1.775 -0.822
5 HG3 GLU 23 HD3 GLU 23 70.604 -4.218 -0.275
6 HG2 GLU 23 HD2 GLU 23 72.089 -3.883 0.616
No H/Q in entry = 6
Start of MODEL 19
1 H GLY 24 H GLY 24 71.127 -1.595 1.412
2 HA2 GLY 24 HA3 GLY 24 72.889 0.393 2.287
3 HA3 GLY 24 HXT GLY 24 73.797 -1.109 2.449
No H/Q in entry = 3
Start of MODEL 19
1 H ARG 25 H ARG 25 73.625 -0.213 4.784
2 HB2 ARG 25 HG2 ARG 25 73.889 -0.023 7.060
3 HB3 ARG 25 HG3 ARG 25 72.899 -0.958 8.181
4 HG2 ARG 25 HD2 ARG 25 74.198 -2.291 5.812
5 HG3 ARG 25 HD3 ARG 25 75.106 -2.023 7.300
6 HD2 ARG 25 HD3 ARG 25 72.388 -3.356 7.335
7 HE ARG 25 HH12 ARG 25 73.036 -2.977 9.583
8 HH11 ARG 25 HH21 ARG 25 75.797 -4.030 7.707
9 HH12 ARG 25 HH22 ARG 25 76.813 -4.170 9.099
10 HD3 ARG 25 HXT ARG 25 73.884 -4.284 7.113
11 HH21 ARG 25 HXT ARG 25 74.389 -3.171 11.352
12 HH22 ARG 25 H1 ARG 25 76.029 -3.688 11.139
13 HA ARG 25 HB1 ARG 25 71.563 -1.774 6.203
No H/Q in entry = 13
Start of MODEL 19
1 H LEU 26 H LEU 26 69.700 -0.900 7.063
2 HD11 LEU 26 HD12 LEU 26 65.995 1.350 6.158
3 HD12 LEU 26 HD13 LEU 26 65.361 2.710 7.084
4 HD13 LEU 26 HD21 LEU 26 67.032 2.730 6.519
5 HD21 LEU 26 HD22 LEU 26 65.841 0.001 9.556
6 HD22 LEU 26 HD23 LEU 26 64.858 1.448 9.324
7 HG LEU 26 HXT LEU 26 67.066 2.176 8.870
8 HD23 LEU 26 HXT LEU 26 64.919 0.211 8.068
9 HA LEU 26 HB1 LEU 26 68.862 1.817 6.695
10 HB3 LEU 26 HG3 LEU 26 67.957 -0.199 8.765
11 HB2 LEU 26 HG2 LEU 26 67.465 -0.231 7.074
No H/Q in entry = 11
Start of MODEL 19
1 H TYR 27 H TYR 27 69.756 3.578 7.769
2 HD1 TYR 27 HD2 TYR 27 72.896 3.766 11.283
3 HD2 TYR 27 HE1 TYR 27 71.910 7.529 9.395
4 HE1 TYR 27 HE2 TYR 27 74.237 4.979 13.004
5 HE2 TYR 27 HH TYR 27 73.251 8.742 11.118
6 HH TYR 27 HXT TYR 27 75.499 7.386 12.998
7 HA TYR 27 HB1 TYR 27 70.955 3.199 10.470
8 HB3 TYR 27 HG3 TYR 27 70.977 5.556 8.573
9 HB2 TYR 27 HG2 TYR 27 72.170 4.271 8.555
No H/Q in entry = 9
Start of MODEL 19
1 H THR 28 H THR 28 68.698 5.418 8.776
2 HG1 THR 28 HG21 THR 28 68.523 8.785 9.342
3 HG21 THR 28 HG22 THR 28 68.491 6.686 12.723
4 HG22 THR 28 HG23 THR 28 69.943 6.857 11.736
5 HG23 THR 28 HXT THR 28 69.215 8.277 12.487
6 HA THR 28 HB1 THR 28 67.095 5.709 11.250
7 HB THR 28 HG12 THR 28 67.379 8.263 11.005
No H/Q in entry = 7
Start of MODEL 19
1 H VAL 29 H VAL 29 65.024 6.724 10.825
2 HB VAL 29 HG12 VAL 29 63.999 4.830 8.475
3 HG11 VAL 29 HG12 VAL 29 63.508 5.320 10.955
4 HG12 VAL 29 HG13 VAL 29 61.863 5.680 10.434
5 HG13 VAL 29 HG21 VAL 29 62.535 4.070 10.179
6 HG21 VAL 29 HG22 VAL 29 61.680 6.643 7.899
7 HG22 VAL 29 HG23 VAL 29 62.492 5.496 6.835
8 HG23 VAL 29 HXT VAL 29 61.385 4.914 8.077
9 HA VAL 29 HB1 VAL 29 64.353 7.241 7.968
No H/Q in entry = 9
Start of MODEL 19
1 H ASP 30 H ASP 30 62.664 8.749 7.720
2 HA ASP 30 HB1 ASP 30 61.336 9.734 10.224
3 HB3 ASP 30 HG3 ASP 30 61.966 11.544 7.916
4 HB2 ASP 30 HG2 ASP 30 63.285 11.065 8.983
No H/Q in entry = 4
Start of MODEL 19
1 HB2 PRO 31 HG2 PRO 31 56.027 8.539 9.200
2 HB3 PRO 31 HG3 PRO 31 57.053 7.104 9.018
3 HG2 PRO 31 HD2 PRO 31 57.195 9.289 11.021
4 HG3 PRO 31 HD3 PRO 31 57.518 7.559 11.208
5 HD2 PRO 31 HD3 PRO 31 59.488 9.405 11.042
6 HD3 PRO 31 HXT PRO 31 59.674 7.742 10.441
7 HA PRO 31 HB1 PRO 31 58.099 8.296 7.362
No H/Q in entry = 7
Start of MODEL 19
1 H GLN 32 H GLN 32 57.917 11.181 9.437
2 HB2 GLN 32 HG2 GLN 32 57.409 13.330 10.170
3 HB3 GLN 32 HG3 GLN 32 55.950 14.151 9.615
4 HE21 GLN 32 HE22 GLN 32 53.619 12.448 12.393
5 HE22 GLN 32 HXT GLN 32 54.318 13.380 13.628
6 HA GLN 32 HB1 GLN 32 55.563 12.230 8.019
7 HG3 GLN 32 HD3 GLN 32 56.036 11.369 10.817
8 HG2 GLN 32 HD2 GLN 32 54.585 12.222 10.292
No H/Q in entry = 8
Start of MODEL 19
1 H GLU 33 H GLU 33 59.054 12.726 7.951
2 HB2 GLU 33 HG2 GLU 33 61.110 13.318 7.187
3 HB3 GLU 33 HG3 GLU 33 61.357 14.626 6.029
4 HA GLU 33 HB1 GLU 33 58.838 14.938 6.008
5 HG3 GLU 33 HD3 GLU 33 60.030 14.858 8.744
6 HG2 GLU 33 HD2 GLU 33 60.138 16.167 7.568
No H/Q in entry = 6
Start of MODEL 19
1 H CYS 34 H CYS 34 58.278 11.669 5.688
2 HG CYS 34 HXT CYS 34 56.258 11.162 3.844
3 HA CYS 34 HB1 CYS 34 58.509 10.083 3.960
4 HB3 CYS 34 HG3 CYS 34 58.375 11.278 1.670
5 HB2 CYS 34 HG2 CYS 34 58.344 12.775 2.601
No H/Q in entry = 5
Start of MODEL 19
1 H THR 35 H THR 35 61.030 10.719 5.190
2 HG1 THR 35 HG21 THR 35 63.484 13.007 5.988
3 HG21 THR 35 HG22 THR 35 61.906 12.886 2.834
4 HG22 THR 35 HG23 THR 35 62.865 14.122 3.648
5 HG23 THR 35 HXT THR 35 63.597 13.121 2.393
6 HA THR 35 HB1 THR 35 62.889 10.560 2.840
7 HB THR 35 HG12 THR 35 64.387 12.073 4.310
No H/Q in entry = 7
Start of MODEL 19
1 H ILE 36 H ILE 36 64.848 9.399 3.288
2 HB ILE 36 HG12 ILE 36 65.376 5.914 4.832
3 HG12 ILE 36 HG13 ILE 36 64.348 7.307 2.343
4 HG13 ILE 36 HG21 ILE 36 66.057 6.967 2.608
5 HG21 ILE 36 HG22 ILE 36 63.102 6.997 5.607
6 HG22 ILE 36 HG23 ILE 36 62.753 7.017 3.878
7 HD11 ILE 36 HD12 ILE 36 65.470 4.548 2.918
8 HD12 ILE 36 HD13 ILE 36 63.810 4.939 2.470
9 HG23 ILE 36 HXT ILE 36 63.093 5.490 4.692
10 HD13 ILE 36 HXT ILE 36 65.112 5.153 1.301
11 HA ILE 36 HB1 ILE 36 65.094 8.120 5.972
No H/Q in entry = 11
Start of MODEL 19
1 H ALA 37 H ALA 37 67.271 7.180 6.297
2 HA ALA 37 HB1 ALA 37 69.332 8.037 4.304
3 HB1 ALA 37 HB2 ALA 37 68.882 9.486 6.495
4 HB2 ALA 37 HB3 ALA 37 70.528 9.200 5.928
5 HB3 ALA 37 HXT ALA 37 69.870 8.233 7.250
No H/Q in entry = 5
Start of MODEL 19
1 H LEU 38 H LEU 38 70.676 6.369 3.823
2 HD11 LEU 38 HD12 LEU 38 69.457 3.776 1.107
3 HD12 LEU 38 HD13 LEU 38 69.449 2.122 1.719
4 HD13 LEU 38 HD21 LEU 38 67.950 3.050 1.668
5 HD21 LEU 38 HD22 LEU 38 69.430 1.843 4.433
6 HD22 LEU 38 HD23 LEU 38 68.532 3.155 5.196
7 HG LEU 38 HXT LEU 38 68.821 4.591 3.367
8 HD23 LEU 38 HXT LEU 38 67.796 2.225 3.892
9 HA LEU 38 HB1 LEU 38 70.630 3.947 5.590
10 HB3 LEU 38 HG3 LEU 38 71.253 2.784 3.467
11 HB2 LEU 38 HG2 LEU 38 71.225 4.337 2.635
No H/Q in entry = 11
Start of MODEL 19
1 H SER 39 H SER 39 72.653 2.975 6.128
2 HG SER 39 HXT SER 39 74.948 1.956 7.952
3 HA SER 39 HB1 SER 39 75.057 4.702 5.599
4 HB3 SER 39 HG3 SER 39 74.161 4.676 7.934
5 HB2 SER 39 HG2 SER 39 75.780 3.991 7.842
No H/Q in entry = 5
Start of MODEL 19
1 H SER 40 H SER 40 77.074 3.519 5.305
2 HG SER 40 HXT SER 40 76.557 -1.103 5.505
3 HA SER 40 HB1 SER 40 78.241 1.940 3.996
4 HB3 SER 40 HG3 SER 40 78.009 1.024 6.375
5 HB2 SER 40 HG2 SER 40 78.370 -0.164 5.130
No H/Q in entry = 5
Start of MODEL 19
1 H VAL 41 H VAL 41 77.103 2.366 2.019
2 HB VAL 41 HG12 VAL 41 74.009 2.237 1.830
3 HG11 VAL 41 HG12 VAL 41 75.904 3.796 1.235
4 HG12 VAL 41 HG13 VAL 41 75.470 3.568 -0.462
5 HG13 VAL 41 HG21 VAL 41 74.320 4.311 0.651
6 HG21 VAL 41 HG22 VAL 41 74.029 1.177 -0.956
7 HG22 VAL 41 HG23 VAL 41 72.727 1.206 0.230
8 HG23 VAL 41 HXT VAL 41 73.120 2.661 -0.683
9 HA VAL 41 HB1 VAL 41 75.253 0.172 1.185
No H/Q in entry = 9
Start of MODEL 19
1 H ARG 42 H ARG 42 75.423 -0.378 -1.047
2 HB2 ARG 42 HG2 ARG 42 78.342 -1.299 -3.291
3 HB3 ARG 42 HG3 ARG 42 78.449 -1.084 -1.547
4 HG2 ARG 42 HD2 ARG 42 76.236 -2.221 -1.308
5 HG3 ARG 42 HD3 ARG 42 76.233 -2.516 -3.047
6 HD2 ARG 42 HD3 ARG 42 78.585 -3.397 -1.376
7 HE ARG 42 HH12 ARG 42 77.631 -3.729 -4.122
8 HH11 ARG 42 HH21 ARG 42 79.566 -5.166 -1.584
9 HH12 ARG 42 HH22 ARG 42 80.540 -6.059 -2.697
10 HD3 ARG 42 HXT ARG 42 77.133 -4.410 -1.488
11 HH21 ARG 42 HXT ARG 42 78.914 -4.904 -5.521
12 HH22 ARG 42 H1 ARG 42 80.177 -5.915 -4.902
13 HA ARG 42 HB1 ARG 42 77.597 0.976 -2.600
No H/Q in entry = 13
Start of MODEL 19
1 H SER 43 H SER 43 77.289 0.874 -4.913
2 HG SER 43 HXT SER 43 76.766 2.283 -8.107
3 HA SER 43 HB1 SER 43 74.490 0.197 -5.753
4 HB3 SER 43 HG3 SER 43 75.337 2.570 -5.879
5 HB2 SER 43 HG2 SER 43 74.833 1.922 -7.437
No H/Q in entry = 5
Start of MODEL 19
1 H PHE 44 H PHE 44 74.205 -1.201 -7.518
2 HD1 PHE 44 HD2 PHE 44 75.778 -5.683 -7.702
3 HD2 PHE 44 HE1 PHE 44 72.623 -2.930 -6.627
4 HE1 PHE 44 HE2 PHE 44 75.401 -6.943 -5.580
5 HE2 PHE 44 HZ PHE 44 72.246 -4.190 -4.505
6 HZ PHE 44 HXT PHE 44 73.635 -6.196 -3.982
7 HA PHE 44 HB1 PHE 44 76.485 -2.974 -8.083
8 HB3 PHE 44 HG3 PHE 44 74.640 -4.167 -9.390
9 HB2 PHE 44 HG2 PHE 44 73.558 -2.906 -8.825
No H/Q in entry = 9
Start of MODEL 19
1 H GLY 45 H GLY 45 74.430 -0.716 -9.953
2 HA2 GLY 45 HA3 GLY 45 75.774 -1.231 -12.469
3 HA3 GLY 45 HXT GLY 45 76.418 0.194 -11.661
No H/Q in entry = 3
Start of MODEL 19
1 H THR 46 H THR 46 75.525 1.217 -13.689
2 HG1 THR 46 HG21 THR 46 75.537 4.348 -14.439
3 HG21 THR 46 HG22 THR 46 73.294 3.237 -11.893
4 HG22 THR 46 HG23 THR 46 74.204 4.699 -12.276
5 HG23 THR 46 HXT THR 46 72.528 4.541 -12.798
6 HA THR 46 HB1 THR 46 72.581 1.769 -13.454
7 HB THR 46 HG12 THR 46 73.460 3.909 -14.771
No H/Q in entry = 7
Start of MODEL 19
1 H GLU 47 H GLU 47 74.505 -0.131 -15.231
2 HB2 GLU 47 HG2 GLU 47 75.650 -1.319 -16.767
3 HB3 GLU 47 HG3 GLU 47 74.065 -2.057 -16.998
4 HA GLU 47 HB1 GLU 47 74.745 0.767 -17.849
5 HG3 GLU 47 HD3 GLU 47 75.900 -1.003 -19.170
6 HG2 GLU 47 HD2 GLU 47 74.260 -1.590 -19.451
No H/Q in entry = 6
Start of MODEL 19
1 H ASP 48 H ASP 48 71.807 -0.419 -16.304
2 HA ASP 48 HB1 ASP 48 70.294 -1.013 -18.685
3 HB3 ASP 48 HG3 ASP 48 68.362 -0.741 -17.084
4 HB2 ASP 48 HG2 ASP 48 69.509 -0.139 -15.886
No H/Q in entry = 4
Start of MODEL 19
1 H ARG 49 H ARG 49 70.033 1.848 -16.531
2 HB2 ARG 49 HG2 ARG 49 69.179 3.694 -15.775
3 HB3 ARG 49 HG3 ARG 49 68.760 5.108 -16.742
4 HG2 ARG 49 HD2 ARG 49 67.242 2.497 -16.930
5 HG3 ARG 49 HD3 ARG 49 66.783 3.789 -15.820
6 HD2 ARG 49 HD3 ARG 49 66.701 5.356 -17.815
7 HE ARG 49 HH12 ARG 49 64.784 3.586 -16.869
8 HH11 ARG 49 HH21 ARG 49 65.542 4.882 -20.032
9 HH12 ARG 49 HH22 ARG 49 63.907 4.768 -20.579
10 HD3 ARG 49 HXT ARG 49 66.897 3.929 -18.850
11 HH21 ARG 49 HXT ARG 49 62.684 3.458 -17.621
12 HH22 ARG 49 H1 ARG 49 62.304 3.972 -19.232
13 HA ARG 49 HB1 ARG 49 68.871 3.435 -18.756
No H/Q in entry = 13
Start of MODEL 19
1 H ASP 50 H ASP 50 71.946 2.669 -18.205
2 HA ASP 50 HB1 ASP 50 73.331 5.003 -17.364
3 HB3 ASP 50 HG3 ASP 50 74.281 2.728 -17.482
4 HB2 ASP 50 HG2 ASP 50 75.286 3.867 -18.369
No H/Q in entry = 4
Start of MODEL 19
1 H THR 51 H THR 51 74.902 6.228 -18.833
2 HG1 THR 51 HG21 THR 51 75.642 9.256 -18.746
3 HG21 THR 51 HG22 THR 51 74.458 9.381 -21.828
4 HG22 THR 51 HG23 THR 51 75.772 10.176 -20.961
5 HG23 THR 51 HXT THR 51 76.133 8.958 -22.184
6 HA THR 51 HB1 THR 51 73.500 7.467 -21.084
7 HB THR 51 HG12 THR 51 76.387 7.752 -20.196
No H/Q in entry = 7
Start of MODEL 19
1 H GLN 52 H GLN 52 74.579 7.607 -23.262
2 HB2 GLN 52 HG2 GLN 52 75.255 6.041 -26.404
3 HB3 GLN 52 HG3 GLN 52 73.874 6.572 -25.450
4 HE21 GLN 52 HE22 GLN 52 75.778 8.768 -28.169
5 HE22 GLN 52 HXT GLN 52 74.282 9.486 -28.528
6 HA GLN 52 HB1 GLN 52 75.296 4.941 -24.215
7 HG3 GLN 52 HD3 GLN 52 76.404 8.089 -26.095
8 HG2 GLN 52 HD2 GLN 52 75.371 8.568 -24.749
No H/Q in entry = 8
Start of MODEL 19
1 H PHE 53 H PHE 53 77.184 7.277 -22.705
2 HD1 PHE 53 HD2 PHE 53 77.727 8.716 -24.687
3 HD2 PHE 53 HE1 PHE 53 81.726 9.726 -23.384
4 HE1 PHE 53 HE2 PHE 53 77.935 10.334 -26.575
5 HE2 PHE 53 HZ PHE 53 81.932 11.344 -25.273
6 HZ PHE 53 HXT PHE 53 80.036 11.648 -26.868
7 HA PHE 53 HB1 PHE 53 79.663 6.485 -24.147
8 HB3 PHE 53 HG3 PHE 53 80.539 8.080 -22.244
9 HB2 PHE 53 HG2 PHE 53 78.844 8.499 -22.076
No H/Q in entry = 9
Start of MODEL 19
1 H GLN 54 H GLN 54 81.501 5.732 -22.689
2 HB2 GLN 54 HG2 GLN 54 83.308 4.858 -21.472
3 HB3 GLN 54 HG3 GLN 54 83.147 3.245 -20.775
4 HE21 GLN 54 HE22 GLN 54 83.869 1.437 -24.318
5 HE22 GLN 54 HXT GLN 54 85.508 1.873 -24.257
6 HA GLN 54 HB1 GLN 54 80.679 3.353 -21.275
7 HG3 GLN 54 HD3 GLN 54 82.369 4.004 -23.607
8 HG2 GLN 54 HD2 GLN 54 82.271 2.389 -22.903
No H/Q in entry = 8
Start of MODEL 19
1 H ILE 55 H ILE 55 80.292 3.047 -19.106
2 HB ILE 55 HG12 ILE 55 78.814 3.072 -17.035
3 HG12 ILE 55 HG13 ILE 55 78.243 4.539 -18.917
4 HG13 ILE 55 HG21 ILE 55 77.132 4.831 -17.584
5 HG21 ILE 55 HG22 ILE 55 79.461 5.477 -15.350
6 HG22 ILE 55 HG23 ILE 55 77.821 4.827 -15.374
7 HD11 ILE 55 HD12 ILE 55 78.999 6.675 -16.973
8 HD12 ILE 55 HD13 ILE 55 79.246 6.604 -18.717
9 HG23 ILE 55 HXT ILE 55 79.165 3.813 -14.846
10 HD13 ILE 55 HXT ILE 55 77.660 7.020 -18.066
11 HA ILE 55 HB1 ILE 55 80.851 5.327 -17.233
No H/Q in entry = 11
Start of MODEL 19
1 H ALA 56 H ALA 56 82.229 4.902 -15.534
2 HA ALA 56 HB1 ALA 56 83.516 2.246 -15.418
3 HB1 ALA 56 HB2 ALA 56 83.991 4.993 -14.273
4 HB2 ALA 56 HB3 ALA 56 84.897 3.607 -13.667
5 HB3 ALA 56 HXT ALA 56 85.016 4.064 -15.367
No H/Q in entry = 5
Start of MODEL 19
1 HB2 PRO 57 HG2 PRO 57 82.530 -1.051 -11.027
2 HB3 PRO 57 HG3 PRO 57 81.449 -1.179 -12.427
3 HG2 PRO 57 HD2 PRO 57 84.394 -0.807 -12.340
4 HG3 PRO 57 HD3 PRO 57 83.406 -1.751 -13.465
5 HD2 PRO 57 HD3 PRO 57 84.463 0.685 -14.071
6 HD3 PRO 57 HXT PRO 57 82.974 0.050 -14.803
7 HA PRO 57 HB1 PRO 57 80.978 1.029 -11.948
No H/Q in entry = 7
Start of MODEL 19
1 H GLN 58 H GLN 58 80.987 1.461 -9.706
2 HB2 GLN 58 HG2 GLN 58 80.514 2.746 -7.847
3 HB3 GLN 58 HG3 GLN 58 81.755 3.608 -6.938
4 HE21 GLN 58 HE22 GLN 58 81.266 7.013 -8.941
5 HE22 GLN 58 HXT GLN 58 79.743 7.288 -8.243
6 HA GLN 58 HB1 GLN 58 83.442 2.781 -8.639
7 HG3 GLN 58 HD3 GLN 58 81.121 4.060 -9.869
8 HG2 GLN 58 HD2 GLN 58 82.309 4.948 -8.916
No H/Q in entry = 8
Start of MODEL 19
1 H SER 59 H SER 59 84.735 1.433 -7.455
2 HG SER 59 HXT SER 59 86.362 -0.326 -8.180
3 HA SER 59 HB1 SER 59 83.662 -0.988 -6.158
4 HB3 SER 59 HG3 SER 59 86.041 -1.393 -5.692
5 HB2 SER 59 HG2 SER 59 86.431 0.253 -6.181
No H/Q in entry = 5
Start of MODEL 19
1 H GLN 60 H GLN 60 84.839 2.214 -5.218
2 HB2 GLN 60 HG2 GLN 60 85.908 3.741 -3.824
3 HB3 GLN 60 HG3 GLN 60 84.235 4.300 -3.823
4 HE21 GLN 60 HE22 GLN 60 87.366 5.650 -1.252
5 HE22 GLN 60 HXT GLN 60 87.005 7.215 -1.799
6 HA GLN 60 HB1 GLN 60 85.159 1.782 -2.407
7 HG3 GLN 60 HD3 GLN 60 85.988 3.881 -1.384
8 HG2 GLN 60 HD2 GLN 60 84.284 4.335 -1.330
No H/Q in entry = 8
Start of MODEL 19
1 H ILE 61 H ILE 61 83.693 1.955 -0.686
2 HB ILE 61 HG12 ILE 61 82.310 1.318 1.218
3 HG12 ILE 61 HG13 ILE 61 83.087 -0.254 -0.502
4 HG13 ILE 61 HG21 ILE 61 82.090 -1.103 0.675
5 HG21 ILE 61 HG22 ILE 61 79.469 0.857 0.338
6 HG22 ILE 61 HG23 ILE 61 80.183 -0.148 1.598
7 HD11 ILE 61 HD12 ILE 61 80.269 -0.224 -1.270
8 HD12 ILE 61 HD13 ILE 61 81.673 -0.766 -2.189
9 HG23 ILE 61 HXT ILE 61 80.063 1.598 1.824
10 HD13 ILE 61 HXT ILE 61 80.874 -1.869 -1.069
11 HA ILE 61 HB1 ILE 61 80.807 1.762 -1.388
No H/Q in entry = 11
Start of MODEL 19
1 H TYR 62 H TYR 62 79.250 3.167 -0.393
2 HD1 TYR 62 HD2 TYR 62 79.659 7.651 -1.432
3 HD2 TYR 62 HE1 TYR 62 77.710 3.930 -2.460
4 HE1 TYR 62 HE2 TYR 62 80.199 8.033 -3.839
5 HE2 TYR 62 HH TYR 62 78.250 4.312 -4.867
6 HH TYR 62 HXT TYR 62 80.484 6.189 -5.981
7 HA TYR 62 HB1 TYR 62 80.325 5.825 0.394
8 HB3 TYR 62 HG3 TYR 62 77.916 6.446 0.088
9 HB2 TYR 62 HG2 TYR 62 77.569 4.763 -0.265
No H/Q in entry = 9
Start of MODEL 19
1 H ASP 63 H ASP 63 80.666 6.095 2.563
2 HA ASP 63 HB1 ASP 63 79.751 4.580 4.732
3 HB3 ASP 63 HG3 ASP 63 81.503 6.279 4.836
4 HB2 ASP 63 HG2 ASP 63 80.279 6.618 6.056
No H/Q in entry = 4
Start of MODEL 19
1 H TYR 64 H TYR 64 78.104 7.352 3.194
2 HD1 TYR 64 HD2 TYR 64 74.285 9.862 4.125
3 HD2 TYR 64 HE1 TYR 64 75.585 8.151 7.880
4 HE1 TYR 64 HE2 TYR 64 72.178 10.631 5.205
5 HE2 TYR 64 HH TYR 64 73.475 8.926 8.956
6 HH TYR 64 HXT TYR 64 71.447 11.205 7.624
7 HA TYR 64 HB1 TYR 64 75.560 6.641 4.542
8 HB3 TYR 64 HG3 TYR 64 76.873 9.350 4.851
9 HB2 TYR 64 HG2 TYR 64 77.010 8.080 6.049
No H/Q in entry = 9
Start of MODEL 19
1 H ILE 65 H ILE 65 73.956 6.953 3.049
2 HB ILE 65 HG12 ILE 65 73.112 6.498 0.627
3 HG12 ILE 65 HG13 ILE 65 75.523 7.960 -0.512
4 HG13 ILE 65 HG21 ILE 65 75.600 6.676 0.694
5 HG21 ILE 65 HG22 ILE 65 73.284 8.962 -1.144
6 HG22 ILE 65 HG23 ILE 65 72.885 7.345 -1.726
7 HD11 ILE 65 HD12 ILE 65 74.181 5.342 -1.106
8 HD12 ILE 65 HD13 ILE 65 74.907 6.503 -2.218
9 HG23 ILE 65 HXT ILE 65 71.809 8.166 -0.594
10 HD13 ILE 65 HXT ILE 65 75.935 5.447 -1.251
11 HA ILE 65 HB1 ILE 65 74.212 9.283 1.167
No H/Q in entry = 11
Start of MODEL 19
1 H LEU 66 H LEU 66 72.526 10.681 1.366
2 HD11 LEU 66 HD12 LEU 66 69.979 11.838 4.914
3 HD12 LEU 66 HD13 LEU 66 68.356 12.528 4.914
4 HD13 LEU 66 HD21 LEU 66 68.625 10.905 4.277
5 HD21 LEU 66 HD22 LEU 66 70.253 14.311 3.574
6 HD22 LEU 66 HD23 LEU 66 69.320 14.430 2.081
7 HG LEU 66 HXT LEU 66 68.497 12.184 2.319
8 HD23 LEU 66 HXT LEU 66 68.490 14.362 3.637
9 HA LEU 66 HB1 LEU 66 70.114 9.927 2.910
10 HB3 LEU 66 HG3 LEU 66 70.903 12.530 1.562
11 HB2 LEU 66 HG2 LEU 66 71.395 12.077 3.194
No H/Q in entry = 11
Start of MODEL 19
1 H PHE 67 H PHE 67 68.090 9.629 1.968
2 HD1 PHE 67 HD2 PHE 67 68.214 8.958 -2.715
3 HD2 PHE 67 HE1 PHE 67 69.180 5.900 0.184
4 HE1 PHE 67 HE2 PHE 67 69.968 8.063 -4.236
5 HE2 PHE 67 HZ PHE 67 70.950 5.017 -1.336
6 HZ PHE 67 HXT PHE 67 71.346 6.099 -3.550
7 HA PHE 67 HB1 PHE 67 67.851 9.996 -0.995
8 HB3 PHE 67 HG3 PHE 67 66.534 7.690 -0.627
9 HB2 PHE 67 HG2 PHE 67 67.635 7.569 0.731
No H/Q in entry = 9
Start of MODEL 19
1 H ARG 68 H ARG 68 65.978 11.067 -1.482
2 HB2 ARG 68 HG2 ARG 68 64.289 12.444 -2.244
3 HB3 ARG 68 HG3 ARG 68 62.882 12.826 -1.254
4 HG2 ARG 68 HD2 ARG 68 64.391 13.616 0.554
5 HG3 ARG 68 HD3 ARG 68 65.778 13.292 -0.486
6 HD2 ARG 68 HD3 ARG 68 64.775 14.868 -2.191
7 HE ARG 68 HH12 ARG 68 65.941 15.567 0.404
8 HH11 ARG 68 HH21 ARG 68 64.762 16.845 -2.635
9 HH12 ARG 68 HH22 ARG 68 65.731 18.272 -2.522
10 HD3 ARG 68 HXT ARG 68 63.562 15.309 -0.973
11 HH21 ARG 68 HXT ARG 68 67.172 17.427 0.506
12 HH22 ARG 68 H1 ARG 68 67.080 18.600 -0.765
13 HA ARG 68 HB1 ARG 68 63.794 11.270 0.510
No H/Q in entry = 13
Start of MODEL 19
1 H GLY 69 H GLY 69 61.691 10.420 0.146
2 HA2 GLY 69 HA3 GLY 69 60.073 8.944 -0.692
3 HA3 GLY 69 HXT GLY 69 61.423 7.971 -1.271
No H/Q in entry = 3
Start of MODEL 19
1 H SER 70 H SER 70 61.078 11.274 -2.375
2 HG SER 70 HXT SER 70 59.441 14.013 -3.598
3 HA SER 70 HB1 SER 70 59.402 10.820 -4.668
4 HB3 SER 70 HG3 SER 70 60.237 13.029 -5.338
5 HB2 SER 70 HG2 SER 70 61.571 12.890 -4.197
No H/Q in entry = 5
Start of MODEL 19
1 H ASP 71 H ASP 71 62.938 10.662 -4.228
2 HA ASP 71 HB1 ASP 71 63.419 10.365 -7.114
3 HB3 ASP 71 HG3 ASP 71 64.952 11.611 -5.642
4 HB2 ASP 71 HG2 ASP 71 65.783 10.246 -6.384
No H/Q in entry = 4
Start of MODEL 19
1 H ILE 72 H ILE 72 63.299 8.226 -4.281
2 HB ILE 72 HG12 ILE 72 64.078 6.471 -3.120
3 HG12 ILE 72 HG13 ILE 72 66.074 4.997 -4.806
4 HG13 ILE 72 HG21 ILE 72 65.887 6.731 -5.053
5 HG21 ILE 72 HG22 ILE 72 64.144 3.713 -4.396
6 HG22 ILE 72 HG23 ILE 72 64.610 4.075 -2.735
7 HD11 ILE 72 HD12 ILE 72 66.335 5.501 -2.331
8 HD12 ILE 72 HD13 ILE 72 67.653 6.068 -3.360
9 HG23 ILE 72 HXT ILE 72 62.936 4.286 -3.246
10 HD13 ILE 72 HXT ILE 72 66.436 7.202 -2.771
11 HA ILE 72 HB1 ILE 72 63.880 5.903 -6.069
No H/Q in entry = 11
Start of MODEL 19
1 H LYS 73 H LYS 73 62.391 4.181 -6.239
2 HB2 LYS 73 HG2 LYS 73 60.622 4.903 -8.115
3 HB3 LYS 73 HG3 LYS 73 60.677 3.164 -7.820
4 HG2 LYS 73 HG3 LYS 73 58.225 3.169 -7.434
5 HG3 LYS 73 HD2 LYS 73 58.186 4.895 -7.795
6 HD2 LYS 73 HD3 LYS 73 59.194 4.372 -10.043
7 HE2 LYS 73 HE3 LYS 73 56.544 3.027 -9.382
8 HE3 LYS 73 HZ1 LYS 73 56.768 4.730 -9.831
9 HZ1 LYS 73 HZ2 LYS 73 57.592 2.407 -11.491
10 HZ2 LYS 73 HZ3 LYS 73 56.203 3.342 -11.760
11 HD3 LYS 73 HXT LYS 73 58.988 2.660 -9.675
12 HZ3 LYS 73 HXT LYS 73 57.742 4.046 -11.914
13 HA LYS 73 HB1 LYS 73 59.600 5.160 -5.814
No H/Q in entry = 13
Start of MODEL 19
1 H ASP 74 H ASP 74 61.750 2.432 -5.120
2 HA ASP 74 HB1 ASP 74 59.496 1.102 -3.702
3 HB3 ASP 74 HG3 ASP 74 61.116 -0.309 -5.843
4 HB2 ASP 74 HG2 ASP 74 59.523 0.392 -6.134
No H/Q in entry = 4
Start of MODEL 19
1 H ILE 75 H ILE 75 60.167 -0.030 -1.934
2 HB ILE 75 HG12 ILE 75 62.483 1.459 -0.516
3 HG12 ILE 75 HG13 ILE 75 62.858 -0.696 1.574
4 HG13 ILE 75 HG21 ILE 75 64.142 -0.229 0.458
5 HG21 ILE 75 HG22 ILE 75 60.089 0.939 -0.112
6 HG22 ILE 75 HG23 ILE 75 60.567 -0.243 1.106
7 HD11 ILE 75 HD12 ILE 75 63.642 2.197 1.245
8 HD12 ILE 75 HD13 ILE 75 62.821 1.425 2.602
9 HG23 ILE 75 HXT ILE 75 60.905 1.469 1.359
10 HD13 ILE 75 HXT ILE 75 64.540 1.138 2.332
11 HA ILE 75 HB1 ILE 75 63.077 -0.672 -1.648
No H/Q in entry = 11
Start of MODEL 19
1 H ARG 76 H ARG 76 63.476 -2.626 -0.551
2 HB2 ARG 76 HG2 ARG 76 62.898 -4.875 -1.694
3 HB3 ARG 76 HG3 ARG 76 62.144 -6.114 -0.692
4 HG2 ARG 76 HD2 ARG 76 60.547 -3.837 -1.874
5 HG3 ARG 76 HD3 ARG 76 60.823 -5.338 -2.756
6 HD2 ARG 76 HD3 ARG 76 59.620 -5.231 0.032
7 HE ARG 76 HH12 ARG 76 60.521 -7.372 -1.749
8 HH11 ARG 76 HH21 ARG 76 58.240 -6.527 0.767
9 HH12 ARG 76 HH22 ARG 76 58.050 -8.166 1.282
10 HD3 ARG 76 HXT ARG 76 58.664 -5.347 -1.457
11 HH21 ARG 76 HXT ARG 76 60.243 -9.475 -1.050
12 HH22 ARG 76 H1 ARG 76 59.170 -9.818 0.267
13 HA ARG 76 HB1 ARG 76 61.176 -4.093 0.661
No H/Q in entry = 13
Start of MODEL 19
1 H VAL 77 H VAL 77 61.834 -4.941 2.590
2 HB VAL 77 HG12 VAL 77 62.978 -4.056 4.794
3 HG11 VAL 77 HG12 VAL 77 61.898 -6.879 4.677
4 HG12 VAL 77 HG13 VAL 77 61.529 -5.791 6.013
5 HG13 VAL 77 HG21 VAL 77 61.040 -5.369 4.373
6 HG21 VAL 77 HG22 VAL 77 64.304 -6.577 5.836
7 HG22 VAL 77 HG23 VAL 77 65.038 -4.976 5.765
8 HG23 VAL 77 HXT VAL 77 63.670 -5.272 6.838
9 HA VAL 77 HB1 VAL 77 64.706 -4.976 3.278
No H/Q in entry = 9
Start of MODEL 19
1 H VAL 78 H VAL 78 65.887 -6.869 3.776
2 HB VAL 78 HG12 VAL 78 67.561 -8.597 3.543
3 HG11 VAL 78 HG12 VAL 78 66.413 -11.060 2.223
4 HG12 VAL 78 HG13 VAL 78 68.103 -10.603 2.012
5 HG13 VAL 78 HG21 VAL 78 67.483 -10.967 3.622
6 HG21 VAL 78 HG22 VAL 78 66.095 -8.611 0.896
7 HG22 VAL 78 HG23 VAL 78 66.972 -7.278 1.648
8 HG23 VAL 78 HXT VAL 78 67.856 -8.652 0.984
9 HA VAL 78 HB1 VAL 78 64.746 -9.414 2.728
No H/Q in entry = 9
Start of MODEL 19
1 H ASN 79 H ASN 79 64.228 -11.085 4.108
2 HD21 ASN 79 HD22 ASN 79 60.993 -10.085 5.607
3 HD22 ASN 79 HXT ASN 79 61.210 -8.572 6.345
4 HA ASN 79 HB1 ASN 79 65.081 -10.868 6.983
5 HB3 ASN 79 HG3 ASN 79 62.850 -11.965 7.424
6 HB2 ASN 79 HG2 ASN 79 62.488 -11.792 5.706
No H/Q in entry = 6
Start of MODEL 19
1 H ASN 80 H ASN 80 66.377 -12.559 7.552
2 HD21 ASN 80 HD22 ASN 80 68.578 -16.370 9.569
3 HD22 ASN 80 HXT ASN 80 69.395 -17.446 8.541
4 HA ASN 80 HB1 ASN 80 66.888 -14.848 5.883
5 HB3 ASN 80 HG3 ASN 80 67.344 -14.609 8.870
6 HB2 ASN 80 HG2 ASN 80 68.339 -13.756 7.688
No H/Q in entry = 6
Start of MODEL 19
1 H HIS 81 H HIS 81 64.772 -14.347 8.696
2 HD1 HIS 81 HD2 HIS 81 64.230 -18.883 11.035
3 HD2 HIS 81 HE1 HIS 81 66.664 -15.526 10.604
4 HE1 HIS 81 HE2 HIS 81 66.577 -19.620 11.637
5 HA HIS 81 HB1 HIS 81 63.666 -17.111 8.313
6 HB3 HIS 81 HG3 HIS 81 62.902 -16.734 10.694
7 HB2 HIS 81 HG2 HIS 81 63.791 -15.222 10.673
No H/Q in entry = 7
Start of MODEL 19
1 H THR 82 H THR 82 61.562 -17.236 7.625
2 HG1 THR 82 HG21 THR 82 61.777 -15.810 5.319
3 HG21 THR 82 HG22 THR 82 58.478 -14.242 6.069
4 HG22 THR 82 HG23 THR 82 58.822 -14.776 4.425
5 HG23 THR 82 HXT THR 82 57.835 -15.778 5.488
6 HA THR 82 HB1 THR 82 59.841 -14.781 7.825
7 HB THR 82 HG12 THR 82 59.922 -16.836 5.594
No H/Q in entry = 7
Start of MODEL 19
1 H LEU 83 H LEU 83 57.767 -15.151 8.589
2 HD11 LEU 83 HD12 LEU 83 58.352 -15.718 12.564
3 HD12 LEU 83 HD13 LEU 83 57.421 -17.004 13.330
4 HD13 LEU 83 HD21 LEU 83 59.149 -17.213 13.051
5 HD21 LEU 83 HD22 LEU 83 56.705 -18.977 12.039
6 HD22 LEU 83 HD23 LEU 83 57.441 -19.315 10.472
7 HG LEU 83 HXT LEU 83 58.810 -17.285 10.650
8 HD23 LEU 83 HXT LEU 83 58.419 -19.382 11.937
9 HA LEU 83 HB1 LEU 83 56.899 -18.001 8.970
10 HB3 LEU 83 HG3 LEU 83 55.839 -17.010 11.104
11 HB2 LEU 83 HG2 LEU 83 56.858 -15.600 10.810
No H/Q in entry = 11
Start of MODEL 19
1 HB2 PRO 84 HG2 PRO 84 51.255 -18.206 8.511
2 HB3 PRO 84 HG3 PRO 84 52.294 -18.930 7.268
3 HG2 PRO 84 HD2 PRO 84 52.566 -18.981 10.224
4 HG3 PRO 84 HD3 PRO 84 52.933 -20.236 9.032
5 HD2 PRO 84 HD3 PRO 84 54.838 -18.706 10.230
6 HD3 PRO 84 HXT PRO 84 55.022 -19.406 8.606
7 HA PRO 84 HB1 PRO 84 53.118 -16.790 7.045
No H/Q in entry = 7
Start of MODEL 20
1 H1 GLY -3 H1 GLY -3 64.362 -13.674 28.346
2 H2 GLY -3 H2 GLY -3 63.106 -14.809 28.205
3 H3 GLY -3 H3 GLY -3 64.613 -15.286 28.818
4 HA2 GLY -3 HA3 GLY -3 64.306 -16.012 26.517
5 HA3 GLY -3 HXT GLY -3 65.665 -14.901 26.700
No H/Q in entry = 5
Start of MODEL 20
1 H ALA -2 H ALA -2 64.706 -12.452 26.672
2 HA ALA -2 HB1 ALA -2 62.466 -11.898 24.939
3 HB1 ALA -2 HB2 ALA -2 63.230 -10.224 26.463
4 HB2 ALA -2 HB3 ALA -2 64.891 -10.353 25.882
5 HB3 ALA -2 HXT ALA -2 63.653 -9.618 24.862
No H/Q in entry = 5
Start of MODEL 20
1 H MET -1 H MET -1 65.926 -12.389 24.354
2 HB2 MET -1 HG2 MET -1 67.450 -10.842 22.890
3 HB3 MET -1 HG3 MET -1 68.063 -12.487 23.066
4 HE1 MET -1 HE2 MET -1 69.957 -11.861 19.056
5 HE2 MET -1 HE3 MET -1 70.101 -10.111 19.211
6 HE3 MET -1 HXT MET -1 71.498 -11.135 19.532
7 HA MET -1 HB1 MET -1 65.589 -11.779 21.457
8 HG3 MET -1 HD3 MET -1 67.723 -10.965 20.465
9 HG2 MET -1 HD2 MET -1 68.220 -12.653 20.580
No H/Q in entry = 9
Start of MODEL 20
1 H ALA 0 H ALA 0 65.053 -13.491 20.171
2 HA ALA 0 HB1 ALA 0 66.487 -16.061 20.464
3 HB1 ALA 0 HB2 ALA 0 63.538 -15.617 20.930
4 HB2 ALA 0 HB3 ALA 0 64.147 -17.191 20.418
5 HB3 ALA 0 HXT ALA 0 64.687 -16.489 21.943
No H/Q in entry = 5
Start of MODEL 20
1 H MET 1 H MET 1 63.561 -14.759 18.845
2 HB2 MET 1 HG2 MET 1 63.256 -17.132 17.007
3 HB3 MET 1 HG3 MET 1 61.969 -15.928 16.969
4 HE1 MET 1 HE2 MET 1 60.246 -15.554 14.822
5 HE2 MET 1 HE3 MET 1 59.121 -16.903 14.680
6 HE3 MET 1 HXT MET 1 59.868 -16.531 16.240
7 HA MET 1 HB1 MET 1 64.842 -15.332 16.197
8 HG3 MET 1 HD3 MET 1 63.646 -16.853 14.619
9 HG2 MET 1 HD2 MET 1 62.479 -15.533 14.550
No H/Q in entry = 9
Start of MODEL 20
1 H SER 2 H SER 2 64.096 -13.934 14.494
2 HG SER 2 HXT SER 2 64.404 -9.818 12.785
3 HA SER 2 HB1 SER 2 62.725 -11.449 15.461
4 HB3 SER 2 HG3 SER 2 64.536 -11.952 13.076
5 HB2 SER 2 HG2 SER 2 65.077 -11.318 14.627
No H/Q in entry = 5
Start of MODEL 20
1 H GLY 3 H GLY 3 60.732 -11.002 14.610
2 HA2 GLY 3 HA3 GLY 3 59.060 -12.607 13.192
3 HA3 GLY 3 HXT GLY 3 60.015 -11.883 11.896
No H/Q in entry = 3
Start of MODEL 20
1 H GLY 4 H GLY 4 58.422 -10.758 14.909
2 HA2 GLY 4 HA3 GLY 4 56.528 -9.215 14.883
3 HA3 GLY 4 HXT GLY 4 57.065 -8.640 13.303
No H/Q in entry = 3
Start of MODEL 20
1 H LEU 5 H LEU 5 59.855 -8.375 14.006
2 HD11 LEU 5 HD12 LEU 5 59.702 -6.006 18.662
3 HD12 LEU 5 HD13 LEU 5 60.897 -4.732 18.901
4 HD13 LEU 5 HD21 LEU 5 59.896 -4.740 17.448
5 HD21 LEU 5 HD22 LEU 5 61.867 -7.700 18.939
6 HD22 LEU 5 HD23 LEU 5 63.277 -7.217 17.995
7 HG LEU 5 HXT LEU 5 62.048 -5.579 16.794
8 HD23 LEU 5 HXT LEU 5 62.641 -6.145 19.242
9 HA LEU 5 HB1 LEU 5 59.728 -5.808 15.452
10 HB3 LEU 5 HG3 LEU 5 61.455 -8.103 16.442
11 HB2 LEU 5 HG2 LEU 5 59.908 -7.663 17.165
No H/Q in entry = 11
Start of MODEL 20
1 HB2 PRO 6 HG2 PRO 6 62.409 -3.311 11.288
2 HB3 PRO 6 HG3 PRO 6 61.468 -4.666 10.634
3 HG2 PRO 6 HD2 PRO 6 60.749 -2.712 12.751
4 HG3 PRO 6 HD3 PRO 6 59.736 -3.453 11.503
5 HD2 PRO 6 HD3 PRO 6 59.717 -4.241 14.105
6 HD3 PRO 6 HXT PRO 6 59.340 -5.329 12.751
7 HA PRO 6 HB1 PRO 6 62.794 -5.949 12.013
No H/Q in entry = 7
Start of MODEL 20
1 H GLU 7 H GLU 7 64.563 -6.062 13.490
2 HB2 GLU 7 HG2 GLU 7 66.883 -6.191 13.888
3 HB3 GLU 7 HG3 GLU 7 67.539 -5.246 15.225
4 HA GLU 7 HB1 GLU 7 65.356 -3.992 15.316
5 HG3 GLU 7 HD3 GLU 7 65.063 -6.996 15.318
6 HG2 GLU 7 HD2 GLU 7 65.635 -5.988 16.648
No H/Q in entry = 6
Start of MODEL 20
1 H LEU 8 H LEU 8 66.861 -2.292 15.061
2 HD11 LEU 8 HD12 LEU 8 67.665 0.706 16.755
3 HD12 LEU 8 HD13 LEU 8 67.868 2.063 15.646
4 HD13 LEU 8 HD21 LEU 8 66.294 1.749 16.377
5 HD21 LEU 8 HD22 LEU 8 66.957 1.765 13.164
6 HD22 LEU 8 HD23 LEU 8 65.661 0.579 13.011
7 HG LEU 8 HXT LEU 8 66.126 -0.368 15.137
8 HD23 LEU 8 HXT LEU 8 65.493 1.930 14.132
9 HA LEU 8 HB1 LEU 8 67.068 -0.989 12.513
10 HB3 LEU 8 HG3 LEU 8 68.703 0.444 13.769
11 HB2 LEU 8 HG2 LEU 8 68.643 -0.721 15.093
No H/Q in entry = 11
Start of MODEL 20
1 H GLY 9 H GLY 9 69.112 -0.557 11.322
2 HA2 GLY 9 HA3 GLY 9 71.437 -2.265 11.740
3 HA3 GLY 9 HXT GLY 9 71.196 -1.128 10.433
No H/Q in entry = 3
Start of MODEL 20
1 H SER 10 H SER 10 68.459 -3.020 10.404
2 HG SER 10 HXT SER 10 66.967 -4.452 10.939
3 HA SER 10 HB1 SER 10 69.282 -5.472 9.197
4 HB3 SER 10 HG3 SER 10 66.928 -5.408 8.286
5 HB2 SER 10 HG2 SER 10 66.799 -3.759 8.887
No H/Q in entry = 5
Start of MODEL 20
1 H LYS 11 H LYS 11 69.378 -6.063 6.941
2 HB2 LYS 11 HG2 LYS 11 71.009 -5.851 3.755
3 HB3 LYS 11 HG3 LYS 11 71.399 -6.276 5.418
4 HG2 LYS 11 HG3 LYS 11 69.132 -7.410 5.559
5 HG3 LYS 11 HD2 LYS 11 68.972 -7.145 3.823
6 HD2 LYS 11 HD3 LYS 11 71.226 -8.323 3.575
7 HE2 LYS 11 HE3 LYS 11 68.644 -9.612 4.426
8 HE3 LYS 11 HZ1 LYS 11 69.474 -9.681 2.858
9 HZ1 LYS 11 HZ2 LYS 11 70.478 -10.894 5.380
10 HZ2 LYS 11 HZ3 LYS 11 69.740 -11.754 4.114
11 HD3 LYS 11 HXT LYS 11 71.042 -8.814 5.260
12 HZ3 LYS 11 HXT LYS 11 71.231 -10.979 3.863
13 HA LYS 11 HB1 LYS 11 70.473 -3.963 5.207
No H/Q in entry = 13
Start of MODEL 20
1 H ILE 12 H ILE 12 69.298 -2.805 3.752
2 HB ILE 12 HG12 ILE 12 67.601 -1.011 3.262
3 HG12 ILE 12 HG13 ILE 12 65.527 -2.554 4.852
4 HG13 ILE 12 HG21 ILE 12 67.204 -2.374 5.364
5 HG21 ILE 12 HG22 ILE 12 65.893 -1.312 1.454
6 HG22 ILE 12 HG23 ILE 12 64.816 -2.050 2.641
7 HD11 ILE 12 HD12 ILE 12 66.943 0.091 5.312
8 HD12 ILE 12 HD13 ILE 12 65.254 -0.109 4.847
9 HG23 ILE 12 HXT ILE 12 65.291 -0.361 2.813
10 HD13 ILE 12 HXT ILE 12 65.805 -0.659 6.430
11 HA ILE 12 HB1 ILE 12 66.623 -3.868 2.893
No H/Q in entry = 11
Start of MODEL 20
1 H SER 13 H SER 13 66.207 -3.884 0.695
2 HG SER 13 HXT SER 13 66.801 -5.200 -3.501
3 HA SER 13 HB1 SER 13 68.394 -3.047 -1.156
4 HB3 SER 13 HG3 SER 13 65.931 -4.781 -1.566
5 HB2 SER 13 HG2 SER 13 67.529 -5.396 -1.160
No H/Q in entry = 5
Start of MODEL 20
1 H LEU 14 H LEU 14 67.956 -1.490 -2.758
2 HD11 LEU 14 HD12 LEU 14 65.272 1.511 -0.184
3 HD12 LEU 14 HD13 LEU 14 64.471 2.942 -0.831
4 HD13 LEU 14 HD21 LEU 14 64.264 1.381 -1.625
5 HD21 LEU 14 HD22 LEU 14 67.661 3.066 -0.611
6 HD22 LEU 14 HD23 LEU 14 67.540 3.950 -2.132
7 HG LEU 14 HXT LEU 14 65.852 2.568 -2.957
8 HD23 LEU 14 HXT LEU 14 66.304 4.157 -0.890
9 HA LEU 14 HB1 LEU 14 65.315 -0.088 -2.575
10 HB3 LEU 14 HG3 LEU 14 67.993 1.308 -2.520
11 HB2 LEU 14 HG2 LEU 14 67.265 0.697 -1.036
No H/Q in entry = 11
Start of MODEL 20
1 H ILE 15 H ILE 15 64.569 0.382 -4.617
2 HB ILE 15 HG12 ILE 15 63.494 0.034 -6.802
3 HG12 ILE 15 HG13 ILE 15 65.615 -2.058 -7.368
4 HG13 ILE 15 HG21 ILE 15 64.919 -1.815 -5.766
5 HG21 ILE 15 HG22 ILE 15 64.465 0.971 -8.947
6 HG22 ILE 15 HG23 ILE 15 65.413 -0.510 -9.088
7 HD11 ILE 15 HD12 ILE 15 62.626 -2.051 -6.961
8 HD12 ILE 15 HD13 ILE 15 63.555 -2.758 -8.283
9 HG23 ILE 15 HXT ILE 15 63.652 -0.584 -9.133
10 HD13 ILE 15 HXT ILE 15 63.572 -3.514 -6.690
11 HA ILE 15 HB1 ILE 15 66.520 0.375 -6.894
No H/Q in entry = 11
Start of MODEL 20
1 H SER 16 H SER 16 67.034 2.374 -7.663
2 HG SER 16 HXT SER 16 68.023 5.489 -5.790
3 HA SER 16 HB1 SER 16 65.363 4.724 -6.954
4 HB3 SER 16 HG3 SER 16 67.379 5.941 -7.728
5 HB2 SER 16 HG2 SER 16 68.087 4.412 -8.242
No H/Q in entry = 5
Start of MODEL 20
1 H LYS 17 H LYS 17 64.851 6.336 -8.624
2 HB2 LYS 17 HG2 LYS 17 64.432 7.976 -9.997
3 HB3 LYS 17 HG3 LYS 17 63.562 7.800 -11.521
4 HG2 LYS 17 HG3 LYS 17 61.656 6.781 -10.279
5 HG3 LYS 17 HD2 LYS 17 62.516 7.072 -8.768
6 HD2 LYS 17 HD3 LYS 17 62.509 9.479 -9.182
7 HE2 LYS 17 HE3 LYS 17 59.753 8.284 -9.669
8 HE3 LYS 17 HZ1 LYS 17 60.512 8.491 -8.079
9 HZ1 LYS 17 HZ2 LYS 17 60.752 10.855 -8.545
10 HZ2 LYS 17 HZ3 LYS 17 59.989 10.655 -10.049
11 HD3 LYS 17 HXT LYS 17 61.752 9.230 -10.756
12 HZ3 LYS 17 HXT LYS 17 59.118 10.396 -8.618
13 HA LYS 17 HB1 LYS 17 63.338 5.292 -10.762
No H/Q in entry = 13
Start of MODEL 20
1 H ALA 18 H ALA 18 66.770 5.741 -10.720
2 HA ALA 18 HB1 ALA 18 67.001 6.026 -13.650
3 HB1 ALA 18 HB2 ALA 18 69.447 5.987 -13.058
4 HB2 ALA 18 HB3 ALA 18 68.543 7.217 -12.174
5 HB3 ALA 18 HXT ALA 18 68.992 5.709 -11.375
No H/Q in entry = 5
Start of MODEL 20
1 H ASP 19 H ASP 19 65.848 3.533 -12.184
2 HA ASP 19 HB1 ASP 19 65.890 1.205 -12.464
3 HB3 ASP 19 HG3 ASP 19 66.985 0.495 -14.652
4 HB2 ASP 19 HG2 ASP 19 67.472 2.170 -14.868
No H/Q in entry = 4
Start of MODEL 20
1 H ILE 20 H ILE 20 67.910 2.479 -10.765
2 HB ILE 20 HG12 ILE 20 69.998 3.022 -9.294
3 HG12 ILE 20 HG13 ILE 20 71.291 2.963 -12.042
4 HG13 ILE 20 HG21 ILE 20 69.700 3.643 -11.729
5 HG21 ILE 20 HG22 ILE 20 72.210 1.188 -10.195
6 HG22 ILE 20 HG23 ILE 20 72.595 2.850 -9.739
7 HD11 ILE 20 HD12 ILE 20 70.926 5.027 -9.883
8 HD12 ILE 20 HD13 ILE 20 72.380 4.625 -10.795
9 HG23 ILE 20 HXT ILE 20 71.836 1.771 -8.571
10 HD13 ILE 20 HXT ILE 20 71.077 5.527 -11.567
11 HA ILE 20 HB1 ILE 20 70.256 0.633 -11.146
No H/Q in entry = 11
Start of MODEL 20
1 H ARG 21 H ARG 21 70.873 -0.740 -9.406
2 HB2 ARG 21 HG2 ARG 21 69.353 -2.918 -8.795
3 HB3 ARG 21 HG3 ARG 21 71.000 -2.942 -8.164
4 HG2 ARG 21 HD2 ARG 21 70.073 -3.294 -5.870
5 HG3 ARG 21 HD3 ARG 21 68.458 -3.394 -6.573
6 HD2 ARG 21 HD3 ARG 21 70.744 -5.201 -7.430
7 HE ARG 21 HH12 ARG 21 68.305 -4.657 -8.639
8 HH11 ARG 21 HH21 ARG 21 69.673 -7.478 -7.085
9 HH12 ARG 21 HH22 ARG 21 68.752 -8.578 -8.050
10 HD3 ARG 21 HXT ARG 21 69.551 -5.650 -6.196
11 HH21 ARG 21 HXT ARG 21 67.135 -6.116 -9.862
12 HH22 ARG 21 H1 ARG 21 67.332 -7.818 -9.605
13 HA ARG 21 HB1 ARG 21 68.859 -1.014 -7.204
No H/Q in entry = 13
Start of MODEL 20
1 H TYR 22 H TYR 22 69.509 -0.091 -5.329
2 HD1 TYR 22 HD2 TYR 22 73.564 2.693 -4.033
3 HD2 TYR 22 HE1 TYR 22 69.781 2.510 -6.119
4 HE1 TYR 22 HE2 TYR 22 74.398 4.358 -5.692
5 HE2 TYR 22 HH TYR 22 70.618 4.177 -7.784
6 HH TYR 22 HXT TYR 22 72.509 6.099 -7.674
7 HA TYR 22 HB1 TYR 22 72.415 -0.098 -4.592
8 HB3 TYR 22 HG3 TYR 22 71.569 1.710 -2.990
9 HB2 TYR 22 HG2 TYR 22 70.044 1.625 -3.846
No H/Q in entry = 9
Start of MODEL 20
1 H GLU 23 H GLU 23 72.922 -0.810 -2.424
2 HB2 GLU 23 HG2 GLU 23 71.644 -3.628 -2.192
3 HB3 GLU 23 HG3 GLU 23 73.183 -3.361 -1.374
4 HA GLU 23 HB1 GLU 23 70.649 -1.810 -0.753
5 HG3 GLU 23 HD3 GLU 23 70.578 -4.219 -0.078
6 HG2 GLU 23 HD2 GLU 23 72.053 -3.828 0.808
No H/Q in entry = 6
Start of MODEL 20
1 H GLY 24 H GLY 24 71.046 -1.502 1.469
2 HA2 GLY 24 HA3 GLY 24 72.735 0.531 2.322
3 HA3 GLY 24 HXT GLY 24 73.725 -0.918 2.478
No H/Q in entry = 3
Start of MODEL 20
1 H ARG 25 H ARG 25 73.598 -0.131 4.809
2 HB2 ARG 25 HG2 ARG 25 73.927 0.007 7.074
3 HB3 ARG 25 HG3 ARG 25 72.960 -0.937 8.209
4 HG2 ARG 25 HD2 ARG 25 73.500 -2.993 6.902
5 HG3 ARG 25 HD3 ARG 25 74.555 -2.025 5.871
6 HD2 ARG 25 HD3 ARG 25 75.841 -1.349 7.940
7 HE ARG 25 HH12 ARG 25 76.042 -3.665 6.429
8 HH11 ARG 25 HH21 ARG 25 76.627 -2.911 9.797
9 HH12 ARG 25 HH22 ARG 25 77.836 -4.137 9.962
10 HD3 ARG 25 HXT ARG 25 74.874 -2.525 8.850
11 HH21 ARG 25 HXT ARG 25 77.610 -5.233 6.690
12 HH22 ARG 25 H1 ARG 25 78.388 -5.436 8.224
13 HA ARG 25 HB1 ARG 25 71.576 -1.723 6.249
No H/Q in entry = 13
Start of MODEL 20
1 H LEU 26 H LEU 26 69.781 -0.880 7.279
2 HD11 LEU 26 HD12 LEU 26 66.869 1.977 6.517
3 HD12 LEU 26 HD13 LEU 26 65.336 1.266 7.022
4 HD13 LEU 26 HD21 LEU 26 65.740 2.915 7.493
5 HD21 LEU 26 HD22 LEU 26 66.242 0.203 10.278
6 HD22 LEU 26 HD23 LEU 26 65.076 1.460 9.865
7 HG LEU 26 HXT LEU 26 67.241 2.229 9.128
8 HD23 LEU 26 HXT LEU 26 65.195 0.007 8.873
9 HA LEU 26 HB1 LEU 26 68.862 1.813 6.939
10 HB3 LEU 26 HG3 LEU 26 68.149 -0.188 9.098
11 HB2 LEU 26 HG2 LEU 26 67.540 -0.261 7.446
No H/Q in entry = 11
Start of MODEL 20
1 H TYR 27 H TYR 27 69.847 3.593 7.904
2 HD1 TYR 27 HD2 TYR 27 73.074 3.857 11.317
3 HD2 TYR 27 HE1 TYR 27 72.087 7.590 9.367
4 HE1 TYR 27 HE2 TYR 27 74.483 5.090 12.966
5 HE2 TYR 27 HH TYR 27 73.497 8.822 11.020
6 HH TYR 27 HXT TYR 27 75.782 7.494 12.852
7 HA TYR 27 HB1 TYR 27 71.125 3.297 10.582
8 HB3 TYR 27 HG3 TYR 27 71.088 5.611 8.631
9 HB2 TYR 27 HG2 TYR 27 72.274 4.320 8.589
No H/Q in entry = 9
Start of MODEL 20
1 H THR 28 H THR 28 68.822 5.460 8.879
2 HG1 THR 28 HG21 THR 28 68.873 9.020 9.617
3 HG21 THR 28 HG22 THR 28 68.676 6.867 12.798
4 HG22 THR 28 HG23 THR 28 70.095 6.967 11.754
5 HG23 THR 28 HXT THR 28 69.412 8.433 12.457
6 HA THR 28 HB1 THR 28 67.263 5.797 11.375
7 HB THR 28 HG12 THR 28 67.501 8.342 11.055
No H/Q in entry = 7
Start of MODEL 20
1 H VAL 29 H VAL 29 65.157 6.726 10.958
2 HB VAL 29 HG12 VAL 29 64.163 4.749 8.661
3 HG11 VAL 29 HG12 VAL 29 63.762 5.059 11.098
4 HG12 VAL 29 HG13 VAL 29 62.170 5.721 10.731
5 HG13 VAL 29 HG21 VAL 29 62.536 4.040 10.344
6 HG21 VAL 29 HG22 VAL 29 61.775 6.472 8.083
7 HG22 VAL 29 HG23 VAL 29 62.612 5.331 7.031
8 HG23 VAL 29 HXT VAL 29 61.542 4.738 8.300
9 HA VAL 29 HB1 VAL 29 64.427 7.160 8.100
No H/Q in entry = 9
Start of MODEL 20
1 H ASP 30 H ASP 30 62.691 8.607 7.845
2 HA ASP 30 HB1 ASP 30 61.341 9.580 10.340
3 HB3 ASP 30 HG3 ASP 30 61.882 11.370 7.993
4 HB2 ASP 30 HG2 ASP 30 63.223 10.972 9.067
No H/Q in entry = 4
Start of MODEL 20
1 HB2 PRO 31 HG2 PRO 31 56.076 8.159 9.377
2 HB3 PRO 31 HG3 PRO 31 57.154 6.759 9.221
3 HG2 PRO 31 HD2 PRO 31 57.225 8.991 11.175
4 HG3 PRO 31 HD3 PRO 31 57.618 7.280 11.396
5 HD2 PRO 31 HD3 PRO 31 59.511 9.198 11.176
6 HD3 PRO 31 HXT PRO 31 59.760 7.531 10.611
7 HA PRO 31 HB1 PRO 31 58.149 7.949 7.533
No H/Q in entry = 7
Start of MODEL 20
1 H GLN 32 H GLN 32 57.817 10.859 9.561
2 HB2 GLN 32 HG2 GLN 32 55.891 12.093 10.564
3 HB3 GLN 32 HG3 GLN 32 57.175 13.222 10.131
4 HE21 GLN 32 HE22 GLN 32 54.712 16.412 10.202
5 HE22 GLN 32 HXT GLN 32 54.647 16.372 11.898
6 HA GLN 32 HB1 GLN 32 55.446 11.784 8.086
7 HG3 GLN 32 HD3 GLN 32 54.255 13.503 9.356
8 HG2 GLN 32 HD2 GLN 32 55.543 14.634 8.940
No H/Q in entry = 8
Start of MODEL 20
1 H GLU 33 H GLU 33 58.914 12.406 8.049
2 HB2 GLU 33 HG2 GLU 33 60.965 13.057 7.277
3 HB3 GLU 33 HG3 GLU 33 61.163 14.405 6.157
4 HA GLU 33 HB1 GLU 33 58.642 14.619 6.114
5 HG3 GLU 33 HD3 GLU 33 61.342 15.043 8.597
6 HG2 GLU 33 HD2 GLU 33 59.640 14.614 8.768
No H/Q in entry = 6
Start of MODEL 20
1 H CYS 34 H CYS 34 58.197 11.329 5.778
2 HG CYS 34 HXT CYS 34 56.153 10.980 3.932
3 HA CYS 34 HB1 CYS 34 58.485 9.765 4.037
4 HB3 CYS 34 HG3 CYS 34 58.350 10.998 1.751
5 HB2 CYS 34 HG2 CYS 34 58.213 12.465 2.720
No H/Q in entry = 5
Start of MODEL 20
1 H THR 35 H THR 35 60.973 10.469 5.288
2 HG1 THR 35 HG21 THR 35 63.335 12.948 6.053
3 HG21 THR 35 HG22 THR 35 61.956 12.512 2.719
4 HG22 THR 35 HG23 THR 35 62.128 13.762 3.951
5 HG23 THR 35 HXT THR 35 63.459 13.426 2.847
6 HA THR 35 HB1 THR 35 62.855 10.386 2.954
7 HB THR 35 HG12 THR 35 64.279 11.977 4.357
No H/Q in entry = 7
Start of MODEL 20
1 H ILE 36 H ILE 36 64.819 9.252 3.396
2 HB ILE 36 HG12 ILE 36 65.458 5.813 4.999
3 HG12 ILE 36 HG13 ILE 36 64.360 7.123 2.495
4 HG13 ILE 36 HG21 ILE 36 66.084 6.843 2.745
5 HG21 ILE 36 HG22 ILE 36 63.167 6.842 5.784
6 HG22 ILE 36 HG23 ILE 36 62.796 6.835 4.060
7 HD11 ILE 36 HD12 ILE 36 64.067 4.614 3.026
8 HD12 ILE 36 HD13 ILE 36 64.778 5.026 1.465
9 HG23 ILE 36 HXT ILE 36 63.184 5.325 4.885
10 HD13 ILE 36 HXT ILE 36 65.811 4.489 2.791
11 HA ILE 36 HB1 ILE 36 65.131 8.032 6.099
No H/Q in entry = 11
Start of MODEL 20
1 H ALA 37 H ALA 37 67.337 7.161 6.418
2 HA ALA 37 HB1 ALA 37 69.346 8.028 4.376
3 HB1 ALA 37 HB2 ALA 37 68.906 9.483 6.568
4 HB2 ALA 37 HB3 ALA 37 70.545 9.229 5.966
5 HB3 ALA 37 HXT ALA 37 69.937 8.258 7.309
No H/Q in entry = 5
Start of MODEL 20
1 H LEU 38 H LEU 38 70.697 6.373 3.880
2 HD11 LEU 38 HD12 LEU 38 69.579 3.667 1.239
3 HD12 LEU 38 HD13 LEU 38 69.262 2.054 1.881
4 HD13 LEU 38 HD21 LEU 38 67.952 3.229 1.761
5 HD21 LEU 38 HD22 LEU 38 69.550 1.793 4.510
6 HD22 LEU 38 HD23 LEU 38 68.666 3.070 5.344
7 HG LEU 38 HXT LEU 38 68.835 4.550 3.534
8 HD23 LEU 38 HXT LEU 38 67.886 2.157 4.052
9 HA LEU 38 HB1 LEU 38 70.721 3.964 5.663
10 HB3 LEU 38 HG3 LEU 38 71.309 2.800 3.526
11 HB2 LEU 38 HG2 LEU 38 71.219 4.350 2.691
No H/Q in entry = 11
Start of MODEL 20
1 H SER 39 H SER 39 72.752 3.060 6.219
2 HG SER 39 HXT SER 39 75.208 2.261 8.435
3 HA SER 39 HB1 SER 39 75.136 4.772 5.569
4 HB3 SER 39 HG3 SER 39 74.301 4.795 7.928
5 HB2 SER 39 HG2 SER 39 75.922 4.118 7.807
No H/Q in entry = 5
Start of MODEL 20
1 H SER 40 H SER 40 77.158 3.580 5.274
2 HG SER 40 HXT SER 40 76.785 -1.057 5.969
3 HA SER 40 HB1 SER 40 78.291 1.985 3.950
4 HB3 SER 40 HG3 SER 40 78.108 1.094 6.345
5 HB2 SER 40 HG2 SER 40 78.441 -0.106 5.104
No H/Q in entry = 5
Start of MODEL 20
1 H VAL 41 H VAL 41 77.138 2.371 1.985
2 HB VAL 41 HG12 VAL 41 74.032 2.286 1.834
3 HG11 VAL 41 HG12 VAL 41 75.910 3.826 1.239
4 HG12 VAL 41 HG13 VAL 41 75.563 3.524 -0.466
5 HG13 VAL 41 HG21 VAL 41 74.361 4.321 0.551
6 HG21 VAL 41 HG22 VAL 41 74.028 1.185 -0.940
7 HG22 VAL 41 HG23 VAL 41 72.732 1.237 0.254
8 HG23 VAL 41 HXT VAL 41 73.131 2.679 -0.674
9 HA VAL 41 HB1 VAL 41 75.238 0.189 1.228
No H/Q in entry = 9
Start of MODEL 20
1 H ARG 42 H ARG 42 75.433 -0.477 -0.948
2 HB2 ARG 42 HG2 ARG 42 78.263 -1.331 -1.408
3 HB3 ARG 42 HG3 ARG 42 76.960 -2.150 -2.269
4 HG2 ARG 42 HD2 ARG 42 77.998 -1.508 -4.427
5 HG3 ARG 42 HD3 ARG 42 79.319 -0.736 -3.549
6 HD2 ARG 42 HD3 ARG 42 79.892 -2.915 -2.502
7 HE ARG 42 HH12 ARG 42 80.404 -2.139 -5.114
8 HH11 ARG 42 HH21 ARG 42 79.895 -5.235 -3.562
9 HH12 ARG 42 HH22 ARG 42 80.880 -6.080 -4.704
10 HD3 ARG 42 HXT ARG 42 78.590 -3.685 -3.429
11 HH21 ARG 42 HXT ARG 42 81.668 -3.274 -6.565
12 HH22 ARG 42 H1 ARG 42 81.874 -4.984 -6.384
13 HA ARG 42 HB1 ARG 42 77.616 0.803 -2.561
No H/Q in entry = 13
Start of MODEL 20
1 H SER 43 H SER 43 77.260 0.744 -4.850
2 HG SER 43 HXT SER 43 76.903 2.601 -7.721
3 HA SER 43 HB1 SER 43 74.470 0.054 -5.701
4 HB3 SER 43 HG3 SER 43 75.422 2.400 -5.933
5 HB2 SER 43 HG2 SER 43 74.851 1.696 -7.441
No H/Q in entry = 5
Start of MODEL 20
1 H PHE 44 H PHE 44 74.262 -1.775 -6.951
2 HD1 PHE 44 HD2 PHE 44 76.690 -5.830 -6.574
3 HD2 PHE 44 HE1 PHE 44 73.101 -3.725 -5.397
4 HE1 PHE 44 HE2 PHE 44 76.919 -6.733 -4.257
5 HE2 PHE 44 HZ PHE 44 73.331 -4.628 -3.081
6 HZ PHE 44 HXT PHE 44 75.240 -6.131 -2.512
7 HA PHE 44 HB1 PHE 44 76.711 -3.319 -7.478
8 HB3 PHE 44 HG3 PHE 44 74.881 -4.981 -8.248
9 HB2 PHE 44 HG2 PHE 44 73.741 -3.783 -7.662
No H/Q in entry = 9
Start of MODEL 20
1 H GLY 45 H GLY 45 74.122 -1.804 -9.420
2 HA2 GLY 45 HA3 GLY 45 75.090 -2.872 -11.932
3 HA3 GLY 45 HXT GLY 45 75.643 -1.221 -11.663
No H/Q in entry = 3
Start of MODEL 20
1 H THR 46 H THR 46 74.140 -1.291 -13.775
2 HG1 THR 46 HG21 THR 46 72.681 -0.037 -16.297
3 HG21 THR 46 HG22 THR 46 72.404 1.321 -12.509
4 HG22 THR 46 HG23 THR 46 73.840 1.514 -13.514
5 HG23 THR 46 HXT THR 46 72.412 2.502 -13.819
6 HA THR 46 HB1 THR 46 71.304 -0.740 -12.943
7 HB THR 46 HG12 THR 46 71.288 0.796 -14.881
No H/Q in entry = 7
Start of MODEL 20
1 H GLU 47 H GLU 47 73.113 -3.133 -14.369
2 HB2 GLU 47 HG2 GLU 47 74.191 -4.511 -15.812
3 HB3 GLU 47 HG3 GLU 47 72.939 -5.602 -15.215
4 HA GLU 47 HB1 GLU 47 72.392 -3.277 -17.073
5 HG3 GLU 47 HD3 GLU 47 73.672 -5.126 -18.119
6 HG2 GLU 47 HD2 GLU 47 72.330 -6.134 -17.577
No H/Q in entry = 6
Start of MODEL 20
1 H ASP 48 H ASP 48 70.456 -4.218 -14.300
2 HA ASP 48 HB1 ASP 48 68.835 -6.181 -15.737
3 HB3 ASP 48 HG3 ASP 48 67.481 -6.031 -13.613
4 HB2 ASP 48 HG2 ASP 48 68.545 -4.725 -13.091
No H/Q in entry = 4
Start of MODEL 20
1 H ARG 49 H ARG 49 68.022 -2.967 -14.343
2 HB2 ARG 49 HG2 ARG 49 66.637 -1.262 -13.693
3 HB3 ARG 49 HG3 ARG 49 65.084 -0.942 -14.466
4 HG2 ARG 49 HD2 ARG 49 64.373 -3.270 -13.925
5 HG3 ARG 49 HD3 ARG 49 65.897 -3.507 -13.067
6 HD2 ARG 49 HD3 ARG 49 64.215 -2.892 -11.422
7 HE ARG 49 HH12 ARG 49 63.493 -0.346 -12.671
8 HH11 ARG 49 HH21 ARG 49 62.824 -3.780 -12.596
9 HH12 ARG 49 HH22 ARG 49 61.210 -3.579 -13.181
10 HD3 ARG 49 HXT ARG 49 65.281 -1.490 -11.637
11 HH21 ARG 49 HXT ARG 49 61.399 -0.136 -13.428
12 HH22 ARG 49 H1 ARG 49 60.411 -1.539 -13.648
13 HA ARG 49 HB1 ARG 49 65.542 -2.923 -15.974
No H/Q in entry = 13
Start of MODEL 20
1 H ASP 50 H ASP 50 68.609 -2.051 -16.736
2 HA ASP 50 HB1 ASP 50 68.118 0.770 -17.472
3 HB3 ASP 50 HG3 ASP 50 70.236 0.006 -16.426
4 HB2 ASP 50 HG2 ASP 50 70.510 0.748 -17.996
No H/Q in entry = 4
Start of MODEL 20
1 H THR 51 H THR 51 69.005 1.414 -19.718
2 HG1 THR 51 HG21 THR 51 66.734 2.316 -21.472
3 HG21 THR 51 HG22 THR 51 67.233 1.217 -23.718
4 HG22 THR 51 HG23 THR 51 67.852 2.858 -23.905
5 HG23 THR 51 HXT THR 51 68.912 1.478 -24.193
6 HA THR 51 HB1 THR 51 67.526 -0.020 -21.796
7 HB THR 51 HG12 THR 51 69.512 2.256 -22.036
No H/Q in entry = 7
Start of MODEL 20
1 H GLN 52 H GLN 52 68.649 -0.642 -23.863
2 HB2 GLN 52 HG2 GLN 52 70.537 -3.097 -25.653
3 HB3 GLN 52 HG3 GLN 52 69.018 -3.119 -24.762
4 HE21 GLN 52 HE22 GLN 52 67.347 -1.203 -27.905
5 HE22 GLN 52 HXT GLN 52 67.893 -2.265 -29.111
6 HA GLN 52 HB1 GLN 52 70.815 -2.502 -23.239
7 HG3 GLN 52 HD3 GLN 52 69.884 -0.633 -26.226
8 HG2 GLN 52 HD2 GLN 52 68.257 -1.140 -25.777
No H/Q in entry = 8
Start of MODEL 20
1 H PHE 53 H PHE 53 71.053 0.753 -23.716
2 HD1 PHE 53 HD2 PHE 53 71.189 0.864 -26.393
3 HD2 PHE 53 HE1 PHE 53 72.783 4.875 -26.044
4 HE1 PHE 53 HE2 PHE 53 70.327 1.410 -28.671
5 HE2 PHE 53 HZ PHE 53 71.922 5.413 -28.323
6 HZ PHE 53 HXT PHE 53 70.694 3.681 -29.636
7 HA PHE 53 HB1 PHE 53 73.467 0.708 -25.415
8 HB3 PHE 53 HG3 PHE 53 73.407 3.176 -24.458
9 HB2 PHE 53 HG2 PHE 53 71.790 2.720 -23.958
No H/Q in entry = 9
Start of MODEL 20
1 H GLN 54 H GLN 54 75.568 1.420 -24.549
2 HB2 GLN 54 HG2 GLN 54 77.747 1.936 -23.875
3 HB3 GLN 54 HG3 GLN 54 78.528 0.907 -22.674
4 HE21 GLN 54 HE22 GLN 54 78.495 0.801 -26.732
5 HE22 GLN 54 HXT GLN 54 80.168 0.515 -26.725
6 HA GLN 54 HB1 GLN 54 76.279 -0.158 -22.242
7 HG3 GLN 54 HD3 GLN 54 77.056 -0.030 -25.155
8 HG2 GLN 54 HD2 GLN 54 77.725 -1.098 -23.920
No H/Q in entry = 8
Start of MODEL 20
1 H ILE 55 H ILE 55 76.283 0.416 -20.118
2 HB ILE 55 HG12 ILE 55 74.802 1.133 -18.108
3 HG12 ILE 55 HG13 ILE 55 73.860 3.620 -19.564
4 HG13 ILE 55 HG21 ILE 55 74.016 2.053 -20.356
5 HG21 ILE 55 HG22 ILE 55 75.663 2.850 -16.513
6 HG22 ILE 55 HG23 ILE 55 74.927 4.106 -17.508
7 HD11 ILE 55 HD12 ILE 55 72.509 1.091 -18.580
8 HD12 ILE 55 HD13 ILE 55 72.238 2.733 -18.000
9 HG23 ILE 55 HXT ILE 55 73.910 2.919 -16.692
10 HD13 ILE 55 HXT ILE 55 71.725 2.276 -19.623
11 HA ILE 55 HB1 ILE 55 76.474 3.327 -19.400
No H/Q in entry = 11
Start of MODEL 20
1 H ALA 56 H ALA 56 77.923 3.766 -17.712
2 HA ALA 56 HB1 ALA 56 79.659 1.505 -16.854
3 HB1 ALA 56 HB2 ALA 56 80.720 3.423 -17.882
4 HB2 ALA 56 HB3 ALA 56 79.890 4.527 -16.785
5 HB3 ALA 56 HXT ALA 56 81.132 3.438 -16.167
No H/Q in entry = 5
Start of MODEL 20
1 HB2 PRO 57 HG2 PRO 57 78.184 -0.398 -11.838
2 HB3 PRO 57 HG3 PRO 57 76.841 -0.204 -12.982
3 HG2 PRO 57 HD2 PRO 57 79.592 -1.213 -13.450
4 HG3 PRO 57 HD3 PRO 57 78.061 -1.722 -14.175
5 HD2 PRO 57 HD3 PRO 57 79.912 -0.084 -15.397
6 HD3 PRO 57 HXT PRO 57 78.191 -0.168 -15.828
7 HA PRO 57 HB1 PRO 57 77.481 2.022 -12.880
No H/Q in entry = 7
Start of MODEL 20
1 H GLN 58 H GLN 58 78.336 2.331 -10.705
2 HB2 GLN 58 HG2 GLN 58 79.110 4.075 -9.253
3 HB3 GLN 58 HG3 GLN 58 80.819 4.274 -8.863
4 HE21 GLN 58 HE22 GLN 58 81.371 7.149 -11.601
5 HE22 GLN 58 HXT GLN 58 80.479 8.267 -10.687
6 HA GLN 58 HB1 GLN 58 81.333 2.482 -10.568
7 HG3 GLN 58 HD3 GLN 58 79.609 4.625 -11.621
8 HG2 GLN 58 HD2 GLN 58 81.305 4.860 -11.199
No H/Q in entry = 8
Start of MODEL 20
1 H SER 59 H SER 59 82.307 1.237 -9.008
2 HG SER 59 HXT SER 59 81.256 -2.279 -8.410
3 HA SER 59 HB1 SER 59 80.574 -0.351 -7.184
4 HB3 SER 59 HG3 SER 59 82.785 -1.593 -6.901
5 HB2 SER 59 HG2 SER 59 83.444 -0.510 -8.122
No H/Q in entry = 5
Start of MODEL 20
1 H GLN 60 H GLN 60 81.800 2.621 -6.857
2 HB2 GLN 60 HG2 GLN 60 81.552 4.606 -5.605
3 HB3 GLN 60 HG3 GLN 60 82.758 4.944 -4.363
4 HE21 GLN 60 HE22 GLN 60 82.550 5.922 -8.287
5 HE22 GLN 60 HXT GLN 60 83.064 7.495 -7.911
6 HA GLN 60 HB1 GLN 60 83.544 2.559 -4.583
7 HG3 GLN 60 HD3 GLN 60 83.312 4.047 -7.207
8 HG2 GLN 60 HD2 GLN 60 84.545 4.261 -5.964
No H/Q in entry = 8
Start of MODEL 20
1 H ILE 61 H ILE 61 83.092 2.623 -2.352
2 HB ILE 61 HG12 ILE 61 82.959 1.983 -0.003
3 HG12 ILE 61 HG13 ILE 61 83.092 0.367 -1.857
4 HG13 ILE 61 HG21 ILE 61 83.017 -0.480 -0.315
5 HG21 ILE 61 HG22 ILE 61 80.191 1.038 0.671
6 HG22 ILE 61 HG23 ILE 61 81.575 0.208 1.382
7 HD11 ILE 61 HD12 ILE 61 80.565 -0.804 -0.648
8 HD12 ILE 61 HD13 ILE 61 80.703 -0.034 -2.228
9 HG23 ILE 61 HXT ILE 61 81.341 1.933 1.666
10 HD13 ILE 61 HXT ILE 61 81.520 -1.566 -1.920
11 HA ILE 61 HB1 ILE 61 80.335 1.855 -1.533
No H/Q in entry = 11
Start of MODEL 20
1 H TYR 62 H TYR 62 79.003 3.344 -0.582
2 HD1 TYR 62 HD2 TYR 62 78.690 4.101 -2.520
3 HD2 TYR 62 HE1 TYR 62 77.728 8.185 -1.482
4 HE1 TYR 62 HE2 TYR 62 78.958 4.771 -4.909
5 HE2 TYR 62 HH TYR 62 77.994 8.856 -3.871
6 HH TYR 62 HXT TYR 62 79.460 7.727 -5.951
7 HA TYR 62 HB1 TYR 62 80.089 6.035 0.097
8 HB3 TYR 62 HG3 TYR 62 77.595 6.522 0.153
9 HB2 TYR 62 HG2 TYR 62 77.345 4.861 -0.347
No H/Q in entry = 9
Start of MODEL 20
1 H ASP 63 H ASP 63 80.628 6.303 2.238
2 HA ASP 63 HB1 ASP 63 79.912 4.818 4.505
3 HB3 ASP 63 HG3 ASP 63 80.345 7.001 5.700
4 HB2 ASP 63 HG2 ASP 63 80.386 7.784 4.120
No H/Q in entry = 4
Start of MODEL 20
1 H TYR 64 H TYR 64 78.101 7.500 2.995
2 HD1 TYR 64 HD2 TYR 64 74.239 9.898 4.026
3 HD2 TYR 64 HE1 TYR 64 75.714 8.280 7.756
4 HE1 TYR 64 HE2 TYR 64 72.151 10.628 5.167
5 HE2 TYR 64 HH TYR 64 73.621 9.013 8.893
6 HH TYR 64 HXT TYR 64 71.601 11.232 7.793
7 HA TYR 64 HB1 TYR 64 75.629 6.719 4.435
8 HB3 TYR 64 HG3 TYR 64 76.867 9.472 4.673
9 HB2 TYR 64 HG2 TYR 64 77.078 8.221 5.881
No H/Q in entry = 9
Start of MODEL 20
1 H ILE 65 H ILE 65 73.997 6.923 2.944
2 HB ILE 65 HG12 ILE 65 72.998 6.447 0.595
3 HG12 ILE 65 HG13 ILE 65 75.398 7.859 -0.632
4 HG13 ILE 65 HG21 ILE 65 75.480 6.563 0.560
5 HG21 ILE 65 HG22 ILE 65 73.133 8.877 -1.226
6 HG22 ILE 65 HG23 ILE 65 72.697 7.255 -1.767
7 HD11 ILE 65 HD12 ILE 65 73.972 5.283 -1.214
8 HD12 ILE 65 HD13 ILE 65 74.703 6.434 -2.333
9 HG23 ILE 65 HXT ILE 65 71.671 8.106 -0.612
10 HD13 ILE 65 HXT ILE 65 75.723 5.339 -1.403
11 HA ILE 65 HB1 ILE 65 74.123 9.242 1.031
No H/Q in entry = 11
Start of MODEL 20
1 H LEU 66 H LEU 66 72.427 10.625 1.263
2 HD11 LEU 66 HD12 LEU 66 69.932 11.839 4.836
3 HD12 LEU 66 HD13 LEU 66 68.301 12.509 4.849
4 HD13 LEU 66 HD21 LEU 66 68.577 10.872 4.255
5 HD21 LEU 66 HD22 LEU 66 70.045 14.276 3.572
6 HD22 LEU 66 HD23 LEU 66 69.356 14.336 1.949
7 HG LEU 66 HXT LEU 66 68.397 12.088 2.262
8 HD23 LEU 66 HXT LEU 66 68.295 14.310 3.358
9 HA LEU 66 HB1 LEU 66 70.079 9.875 2.906
10 HB3 LEU 66 HG3 LEU 66 70.777 12.445 1.445
11 HB2 LEU 66 HG2 LEU 66 71.314 12.062 3.080
No H/Q in entry = 11
Start of MODEL 20
1 H PHE 67 H PHE 67 68.035 9.501 2.037
2 HD1 PHE 67 HD2 PHE 67 68.406 8.687 -2.455
3 HD2 PHE 67 HE1 PHE 67 68.840 5.544 0.482
4 HE1 PHE 67 HE2 PHE 67 70.208 7.657 -3.818
5 HE2 PHE 67 HZ PHE 67 70.662 4.524 -0.882
6 HZ PHE 67 HXT PHE 67 71.348 5.580 -3.036
7 HA PHE 67 HB1 PHE 67 67.718 9.724 -0.933
8 HB3 PHE 67 HG3 PHE 67 66.431 7.452 -0.474
9 HB2 PHE 67 HG2 PHE 67 67.460 7.402 0.943
No H/Q in entry = 9
Start of MODEL 20
1 H ARG 68 H ARG 68 65.894 10.890 -1.371
2 HB2 ARG 68 HG2 ARG 68 64.242 12.316 -2.096
3 HB3 ARG 68 HG3 ARG 68 62.803 12.653 -1.135
4 HG2 ARG 68 HD2 ARG 68 64.272 13.349 0.757
5 HG3 ARG 68 HD3 ARG 68 65.677 13.108 -0.282
6 HD2 ARG 68 HD3 ARG 68 64.677 14.765 -1.904
7 HE ARG 68 HH12 ARG 68 66.230 15.917 -0.532
8 HH11 ARG 68 HH21 ARG 68 63.378 15.099 1.324
9 HH12 ARG 68 HH22 ARG 68 63.893 16.008 2.700
10 HD3 ARG 68 HXT ARG 68 63.428 15.109 -0.692
11 HH21 ARG 68 HXT ARG 68 66.854 17.078 1.273
12 HH22 ARG 68 H1 ARG 68 65.838 17.116 2.675
13 HA ARG 68 HB1 ARG 68 63.676 11.031 0.593
No H/Q in entry = 13
Start of MODEL 20
1 H GLY 69 H GLY 69 61.558 10.240 0.119
2 HA2 GLY 69 HA3 GLY 69 59.939 8.847 -0.853
3 HA3 GLY 69 HXT GLY 69 61.287 7.855 -1.401
No H/Q in entry = 3
Start of MODEL 20
1 H SER 70 H SER 70 61.173 11.186 -2.434
2 HG SER 70 HXT SER 70 62.308 13.579 -4.840
3 HA SER 70 HB1 SER 70 59.492 10.872 -4.756
4 HB3 SER 70 HG3 SER 70 60.077 12.997 -3.561
5 HB2 SER 70 HG2 SER 70 60.340 13.091 -5.299
No H/Q in entry = 5
Start of MODEL 20
1 H ASP 71 H ASP 71 63.042 10.695 -4.313
2 HA ASP 71 HB1 ASP 71 63.489 10.417 -7.208
3 HB3 ASP 71 HG3 ASP 71 65.037 11.672 -5.767
4 HB2 ASP 71 HG2 ASP 71 65.865 10.309 -6.512
No H/Q in entry = 4
Start of MODEL 20
1 H ILE 72 H ILE 72 63.336 8.270 -4.399
2 HB ILE 72 HG12 ILE 72 64.000 6.493 -3.205
3 HG12 ILE 72 HG13 ILE 72 66.128 5.120 -4.821
4 HG13 ILE 72 HG21 ILE 72 65.919 6.863 -4.988
5 HG21 ILE 72 HG22 ILE 72 64.252 3.763 -4.515
6 HG22 ILE 72 HG23 ILE 72 64.546 4.116 -2.814
7 HD11 ILE 72 HD12 ILE 72 66.089 5.639 -2.255
8 HD12 ILE 72 HD13 ILE 72 67.564 5.944 -3.179
9 HG23 ILE 72 HXT ILE 72 62.922 4.276 -3.479
10 HD13 ILE 72 HXT ILE 72 66.485 7.278 -2.767
11 HA ILE 72 HB1 ILE 72 63.992 5.953 -6.170
No H/Q in entry = 11
Start of MODEL 20
1 H LYS 73 H LYS 73 62.506 4.265 -6.466
2 HB2 LYS 73 HG2 LYS 73 60.784 4.965 -8.385
3 HB3 LYS 73 HG3 LYS 73 60.872 3.228 -8.092
4 HG2 LYS 73 HG3 LYS 73 58.408 3.174 -7.783
5 HG3 LYS 73 HD2 LYS 73 58.341 4.898 -8.154
6 HD2 LYS 73 HD3 LYS 73 59.413 4.405 -10.367
7 HE2 LYS 73 HE3 LYS 73 56.776 3.090 -9.646
8 HE3 LYS 73 HZ1 LYS 73 57.035 4.663 -10.427
9 HZ1 LYS 73 HZ2 LYS 73 57.837 2.031 -11.554
10 HZ2 LYS 73 HZ3 LYS 73 56.496 2.940 -12.058
11 HD3 LYS 73 HXT LYS 73 59.288 2.685 -9.997
12 HZ3 LYS 73 HXT LYS 73 58.066 3.543 -12.293
13 HA LYS 73 HB1 LYS 73 59.690 5.198 -6.118
No H/Q in entry = 13
Start of MODEL 20
1 H ASP 74 H ASP 74 61.857 2.561 -5.262
2 HA ASP 74 HB1 ASP 74 59.564 1.200 -3.940
3 HB3 ASP 74 HG3 ASP 74 61.408 -0.230 -5.877
4 HB2 ASP 74 HG2 ASP 74 59.809 0.369 -6.320
No H/Q in entry = 4
Start of MODEL 20
1 H ILE 75 H ILE 75 60.161 0.470 -1.981
2 HB ILE 75 HG12 ILE 75 62.456 1.973 -0.573
3 HG12 ILE 75 HG13 ILE 75 62.549 0.043 1.748
4 HG13 ILE 75 HG21 ILE 75 63.930 0.252 0.673
5 HG21 ILE 75 HG22 ILE 75 60.328 0.473 0.986
6 HG22 ILE 75 HG23 ILE 75 60.749 2.172 1.201
7 HD11 ILE 75 HD12 ILE 75 62.611 2.681 1.844
8 HD12 ILE 75 HD13 ILE 75 63.717 1.738 2.842
9 HG23 ILE 75 HXT ILE 75 60.027 1.628 -0.312
10 HD13 ILE 75 HXT ILE 75 64.285 2.458 1.336
11 HA ILE 75 HB1 ILE 75 63.031 -0.252 -1.497
No H/Q in entry = 11
Start of MODEL 20
1 H ARG 76 H ARG 76 63.301 -2.195 -0.384
2 HB2 ARG 76 HG2 ARG 76 62.504 -4.604 -1.307
3 HB3 ARG 76 HG3 ARG 76 61.412 -5.532 -0.279
4 HG2 ARG 76 HD2 ARG 76 59.608 -3.841 -0.842
5 HG3 ARG 76 HD3 ARG 76 60.711 -3.177 -2.048
6 HD2 ARG 76 HD3 ARG 76 60.869 -5.475 -3.076
7 HE ARG 76 HH12 ARG 76 59.236 -4.242 -4.273
8 HH11 ARG 76 HH21 ARG 76 58.008 -5.086 -1.106
9 HH12 ARG 76 HH22 ARG 76 56.420 -4.501 -1.458
10 HD3 ARG 76 HXT ARG 76 59.587 -5.998 -1.966
11 HH21 ARG 76 HXT ARG 76 57.168 -3.499 -4.680
12 HH22 ARG 76 H1 ARG 76 55.947 -3.613 -3.457
13 HA ARG 76 HB1 ARG 76 60.977 -3.409 1.028
No H/Q in entry = 13
Start of MODEL 20
1 H VAL 77 H VAL 77 61.637 -4.571 2.816
2 HB VAL 77 HG12 VAL 77 62.039 -5.544 4.985
3 HG11 VAL 77 HG12 VAL 77 64.931 -5.151 5.792
4 HG12 VAL 77 HG13 VAL 77 63.616 -5.187 6.966
5 HG13 VAL 77 HG21 VAL 77 63.946 -6.603 5.969
6 HG21 VAL 77 HG22 VAL 77 63.518 -2.925 4.772
7 HG22 VAL 77 HG23 VAL 77 61.780 -3.220 4.711
8 HG23 VAL 77 HXT VAL 77 62.640 -3.334 6.247
9 HA VAL 77 HB1 VAL 77 64.520 -4.656 3.461
No H/Q in entry = 9
Start of MODEL 20
1 H VAL 78 H VAL 78 65.720 -6.590 3.684
2 HB VAL 78 HG12 VAL 78 67.386 -8.288 3.248
3 HG11 VAL 78 HG12 VAL 78 66.239 -10.515 1.558
4 HG12 VAL 78 HG13 VAL 78 67.935 -10.046 1.442
5 HG13 VAL 78 HG21 VAL 78 67.289 -10.644 2.970
6 HG21 VAL 78 HG22 VAL 78 66.006 -7.978 0.564
7 HG22 VAL 78 HG23 VAL 78 66.700 -6.697 1.558
8 HG23 VAL 78 HXT VAL 78 67.754 -7.875 0.778
9 HA VAL 78 HB1 VAL 78 64.574 -8.962 2.303
No H/Q in entry = 9
Start of MODEL 20
1 H ASN 79 H ASN 79 64.080 -10.835 3.400
2 HD21 ASN 79 HD22 ASN 79 61.656 -13.733 6.428
3 HD22 ASN 79 HXT ASN 79 61.797 -13.620 8.115
4 HA ASN 79 HB1 ASN 79 64.842 -11.019 6.302
5 HB3 ASN 79 HG3 ASN 79 62.400 -12.204 4.961
6 HB2 ASN 79 HG2 ASN 79 62.408 -10.567 5.618
No H/Q in entry = 6
Start of MODEL 20
1 H ASN 80 H ASN 80 65.214 -13.220 7.081
2 HD21 ASN 80 HD22 ASN 80 68.435 -13.713 8.699
3 HD22 ASN 80 HXT ASN 80 69.440 -12.868 7.623
4 HA ASN 80 HB1 ASN 80 66.355 -14.994 4.980
5 HB3 ASN 80 HG3 ASN 80 67.373 -16.075 7.023
6 HB2 ASN 80 HG2 ASN 80 66.544 -14.869 8.006
No H/Q in entry = 6
Start of MODEL 20
1 H HIS 81 H HIS 81 65.444 -16.970 4.501
2 HD1 HIS 81 HD2 HIS 81 60.669 -16.956 5.475
3 HD2 HIS 81 HE1 HIS 81 63.126 -15.327 2.527
4 HE1 HIS 81 HE2 HIS 81 59.774 -14.635 4.998
5 HA HIS 81 HB1 HIS 81 63.167 -17.929 6.212
6 HB3 HIS 81 HG3 HIS 81 62.204 -18.715 4.043
7 HB2 HIS 81 HG2 HIS 81 63.552 -17.966 3.208
No H/Q in entry = 7
Start of MODEL 20
1 H THR 82 H THR 82 63.044 -20.204 6.497
2 HG1 THR 82 HG21 THR 82 63.105 -22.631 8.361
3 HG21 THR 82 HG22 THR 82 65.533 -20.019 7.883
4 HG22 THR 82 HG23 THR 82 66.005 -21.185 9.119
5 HG23 THR 82 HXT THR 82 66.768 -21.228 7.530
6 HA THR 82 HB1 THR 82 65.415 -21.775 5.527
7 HB THR 82 HG12 THR 82 65.102 -23.014 7.704
No H/Q in entry = 7
Start of MODEL 20
1 H LEU 83 H LEU 83 64.963 -24.114 5.250
2 HD11 LEU 83 HD12 LEU 83 64.029 -26.431 1.143
3 HD12 LEU 83 HD13 LEU 83 64.131 -24.804 0.470
4 HD13 LEU 83 HD21 LEU 83 65.605 -25.698 0.841
5 HD21 LEU 83 HD22 LEU 83 64.441 -22.797 2.271
6 HD22 LEU 83 HD23 LEU 83 65.603 -23.278 3.507
7 HG LEU 83 HXT LEU 83 65.171 -25.557 3.215
8 HD23 LEU 83 HXT LEU 83 65.994 -23.487 1.802
9 HA LEU 83 HB1 LEU 83 62.098 -24.869 4.978
10 HB3 LEU 83 HG3 LEU 83 62.720 -23.881 2.831
11 HB2 LEU 83 HG2 LEU 83 62.551 -25.623 2.635
No H/Q in entry = 11
Start of MODEL 20
1 HB2 PRO 84 HG2 PRO 84 61.968 -30.536 4.919
2 HB3 PRO 84 HG3 PRO 84 61.422 -29.628 6.342
3 HG2 PRO 84 HD2 PRO 84 60.957 -29.086 3.460
4 HG3 PRO 84 HD3 PRO 84 59.880 -28.849 4.844
5 HD2 PRO 84 HD3 PRO 84 61.222 -26.819 3.628
6 HD3 PRO 84 HXT PRO 84 60.756 -26.796 5.343
7 HA PRO 84 HB1 PRO 84 63.569 -28.793 6.341
No H/Q in entry = 7
Start of MODEL 21
1 H1 GLY -3 H1 GLY -3 46.212 -10.771 27.631
2 H2 GLY -3 H2 GLY -3 45.760 -9.135 27.726
3 H3 GLY -3 H3 GLY -3 44.575 -10.347 27.810
4 HA2 GLY -3 HA3 GLY -3 44.593 -9.290 25.630
5 HA3 GLY -3 HXT GLY -3 45.016 -10.999 25.537
No H/Q in entry = 5
Start of MODEL 21
1 H ALA -2 H ALA -2 45.957 -7.921 24.606
2 HA ALA -2 HB1 ALA -2 48.833 -8.709 24.286
3 HB1 ALA -2 HB2 ALA -2 46.739 -7.937 22.273
4 HB2 ALA -2 HB3 ALA -2 48.427 -7.544 21.950
5 HB3 ALA -2 HXT ALA -2 47.941 -9.224 22.185
No H/Q in entry = 5
Start of MODEL 21
1 H MET -1 H MET -1 50.283 -6.911 24.204
2 HB2 MET -1 HG2 MET -1 51.439 -5.693 26.056
3 HB3 MET -1 HG3 MET -1 51.079 -3.996 26.370
4 HE1 MET -1 HE2 MET -1 48.123 -5.453 29.476
5 HE2 MET -1 HE3 MET -1 48.880 -7.045 29.497
6 HE3 MET -1 HXT MET -1 49.214 -5.902 30.796
7 HA MET -1 HB1 MET -1 49.084 -4.228 24.828
8 HG3 MET -1 HD3 MET -1 49.273 -6.359 26.958
9 HG2 MET -1 HD2 MET -1 48.807 -4.671 27.163
No H/Q in entry = 9
Start of MODEL 21
1 H ALA 0 H ALA 0 50.454 -2.412 24.176
2 HA ALA 0 HB1 ALA 0 52.122 -3.016 21.788
3 HB1 ALA 0 HB2 ALA 0 51.275 -0.341 22.929
4 HB2 ALA 0 HB3 ALA 0 50.215 -1.312 21.909
5 HB3 ALA 0 HXT ALA 0 51.741 -0.704 21.267
No H/Q in entry = 5
Start of MODEL 21
1 H MET 1 H MET 1 54.326 -3.014 21.957
2 HB2 MET 1 HG2 MET 1 55.083 -3.666 24.828
3 HB3 MET 1 HG3 MET 1 56.302 -4.231 23.685
4 HE1 MET 1 HE2 MET 1 59.652 -3.934 25.634
5 HE2 MET 1 HE3 MET 1 59.581 -5.541 26.369
6 HE3 MET 1 HXT MET 1 59.002 -5.295 24.723
7 HA MET 1 HB1 MET 1 55.655 -1.292 23.991
8 HG3 MET 1 HD3 MET 1 56.764 -2.222 25.911
9 HG2 MET 1 HD2 MET 1 57.981 -2.769 24.759
No H/Q in entry = 9
Start of MODEL 21
1 H SER 2 H SER 2 55.508 -1.155 21.074
2 HG SER 2 HXT SER 2 55.605 -0.894 17.609
3 HA SER 2 HB1 SER 2 58.315 -1.866 20.287
4 HB3 SER 2 HG3 SER 2 56.432 -2.924 19.047
5 HB2 SER 2 HG2 SER 2 57.395 -1.879 18.006
No H/Q in entry = 5
Start of MODEL 21
1 H GLY 3 H GLY 3 59.540 -0.241 19.163
2 HA2 GLY 3 HA3 GLY 3 60.301 2.058 19.474
3 HA3 GLY 3 HXT GLY 3 58.621 2.544 19.707
No H/Q in entry = 3
Start of MODEL 21
1 H GLY 4 H GLY 4 60.190 0.589 17.153
2 HA2 GLY 4 HA3 GLY 4 60.655 1.918 14.985
3 HA3 GLY 4 HXT GLY 4 58.977 2.437 15.138
No H/Q in entry = 3
Start of MODEL 21
1 H LEU 5 H LEU 5 58.638 1.396 13.026
2 HD11 LEU 5 HD12 LEU 5 55.931 -2.327 11.509
3 HD12 LEU 5 HD13 LEU 5 55.716 -2.007 13.229
4 HD13 LEU 5 HD21 LEU 5 54.359 -1.811 12.119
5 HD21 LEU 5 HD22 LEU 5 56.225 1.436 13.297
6 HD22 LEU 5 HD23 LEU 5 54.567 0.839 13.384
7 HG LEU 5 HXT LEU 5 55.196 0.176 11.232
8 HD23 LEU 5 HXT LEU 5 55.872 -0.065 14.152
9 HA LEU 5 HB1 LEU 5 57.687 -1.354 13.319
10 HB3 LEU 5 HG3 LEU 5 57.430 -0.718 10.663
11 HB2 LEU 5 HG2 LEU 5 57.540 0.887 11.377
No H/Q in entry = 11
Start of MODEL 21
1 HB2 PRO 6 HG2 PRO 6 62.885 -0.464 9.396
2 HB3 PRO 6 HG3 PRO 6 61.342 -0.606 8.534
3 HG2 PRO 6 HD2 PRO 6 62.163 1.322 10.636
4 HG3 PRO 6 HD3 PRO 6 61.135 1.565 9.216
5 HD2 PRO 6 HD3 PRO 6 60.184 1.274 11.759
6 HD3 PRO 6 HXT PRO 6 59.255 0.867 10.301
7 HA PRO 6 HB1 PRO 6 60.977 -2.341 10.011
No H/Q in entry = 7
Start of MODEL 21
1 H GLU 7 H GLU 7 62.659 -3.624 10.725
2 HB2 GLU 7 HG2 GLU 7 64.343 -5.003 10.906
3 HB3 GLU 7 HG3 GLU 7 65.387 -5.128 12.322
4 HA GLU 7 HB1 GLU 7 63.783 -3.335 13.352
5 HG3 GLU 7 HD3 GLU 7 63.112 -5.371 13.624
6 HG2 GLU 7 HD2 GLU 7 63.790 -6.764 12.784
No H/Q in entry = 6
Start of MODEL 21
1 H LEU 8 H LEU 8 65.460 -2.054 14.007
2 HD11 LEU 8 HD12 LEU 8 67.244 1.298 16.392
3 HD12 LEU 8 HD13 LEU 8 65.500 1.542 16.481
4 HD13 LEU 8 HD21 LEU 8 66.187 -0.042 16.837
5 HD21 LEU 8 HD22 LEU 8 67.172 2.133 13.883
6 HD22 LEU 8 HD23 LEU 8 65.878 1.478 12.880
7 HG LEU 8 HXT LEU 8 65.218 -0.070 14.595
8 HD23 LEU 8 HXT LEU 8 65.488 2.448 14.300
9 HA LEU 8 HB1 LEU 8 66.855 -0.249 12.267
10 HB3 LEU 8 HG3 LEU 8 68.231 0.123 14.341
11 HB2 LEU 8 HG2 LEU 8 67.409 -1.255 15.073
No H/Q in entry = 11
Start of MODEL 21
1 H GLY 9 H GLY 9 68.780 -0.477 11.161
2 HA2 GLY 9 HA3 GLY 9 70.843 -2.357 11.998
3 HA3 GLY 9 HXT GLY 9 70.916 -1.261 10.637
No H/Q in entry = 3
Start of MODEL 21
1 H SER 10 H SER 10 68.064 -2.927 10.229
2 HG SER 10 HXT SER 10 66.637 -4.301 10.704
3 HA SER 10 HB1 SER 10 68.901 -5.479 9.226
4 HB3 SER 10 HG3 SER 10 66.674 -5.359 8.069
5 HB2 SER 10 HG2 SER 10 66.559 -3.671 8.557
No H/Q in entry = 5
Start of MODEL 21
1 H LYS 11 H LYS 11 69.376 -6.130 7.060
2 HB2 LYS 11 HG2 LYS 11 71.175 -6.011 3.953
3 HB3 LYS 11 HG3 LYS 11 71.502 -6.328 5.653
4 HG2 LYS 11 HG3 LYS 11 69.346 -7.603 5.783
5 HG3 LYS 11 HD2 LYS 11 69.143 -7.361 4.049
6 HD2 LYS 11 HD3 LYS 11 70.155 -9.496 4.238
7 HE2 LYS 11 HE3 LYS 11 72.079 -8.210 6.216
8 HE3 LYS 11 HZ1 LYS 11 70.819 -9.402 6.595
9 HZ1 LYS 11 HZ2 LYS 11 73.043 -9.827 4.668
10 HZ2 LYS 11 HZ3 LYS 11 72.999 -10.450 6.248
11 HD3 LYS 11 HXT LYS 11 71.474 -8.411 3.798
12 HZ3 LYS 11 HXT LYS 11 71.859 -10.963 5.098
13 HA LYS 11 HB1 LYS 11 70.490 -4.075 5.286
No H/Q in entry = 13
Start of MODEL 21
1 H ILE 12 H ILE 12 69.386 -3.074 3.657
2 HB ILE 12 HG12 ILE 12 67.529 -1.359 3.243
3 HG12 ILE 12 HG13 ILE 12 65.524 -3.103 4.710
4 HG13 ILE 12 HG21 ILE 12 67.164 -2.812 5.288
5 HG21 ILE 12 HG22 ILE 12 64.925 -2.645 2.355
6 HG22 ILE 12 HG23 ILE 12 65.093 -0.955 2.834
7 HD11 ILE 12 HD12 ILE 12 66.640 -0.320 5.134
8 HD12 ILE 12 HD13 ILE 12 64.955 -0.783 4.895
9 HG23 ILE 12 HXT ILE 12 65.932 -1.554 1.403
10 HD13 ILE 12 HXT ILE 12 65.781 -1.204 6.395
11 HA ILE 12 HB1 ILE 12 66.777 -4.266 2.765
No H/Q in entry = 11
Start of MODEL 21
1 H SER 13 H SER 13 66.398 -4.240 0.565
2 HG SER 13 HXT SER 13 66.882 -4.150 -3.634
3 HA SER 13 HB1 SER 13 68.531 -3.180 -1.230
4 HB3 SER 13 HG3 SER 13 66.160 -5.014 -1.731
5 HB2 SER 13 HG2 SER 13 67.795 -5.564 -1.372
No H/Q in entry = 5
Start of MODEL 21
1 H LEU 14 H LEU 14 68.020 -1.550 -2.730
2 HD11 LEU 14 HD12 LEU 14 65.217 1.144 0.002
3 HD12 LEU 14 HD13 LEU 14 64.285 2.531 -0.561
4 HD13 LEU 14 HD21 LEU 14 64.175 0.991 -1.413
5 HD21 LEU 14 HD22 LEU 14 67.109 2.968 -0.170
6 HD22 LEU 14 HD23 LEU 14 67.539 3.560 -1.775
7 HG LEU 14 HXT LEU 14 65.620 2.350 -2.742
8 HD23 LEU 14 HXT LEU 14 66.033 4.079 -1.018
9 HA LEU 14 HB1 LEU 14 65.299 -0.321 -2.503
10 HB3 LEU 14 HG3 LEU 14 67.872 1.253 -2.412
11 HB2 LEU 14 HG2 LEU 14 67.228 0.515 -0.945
No H/Q in entry = 11
Start of MODEL 21
1 H ILE 15 H ILE 15 64.525 0.306 -4.492
2 HB ILE 15 HG12 ILE 15 63.403 -0.031 -6.626
3 HG12 ILE 15 HG13 ILE 15 65.494 -2.118 -7.309
4 HG13 ILE 15 HG21 ILE 15 64.868 -1.896 -5.676
5 HG21 ILE 15 HG22 ILE 15 65.308 -0.349 -8.968
6 HG22 ILE 15 HG23 ILE 15 63.597 -0.776 -8.993
7 HD11 ILE 15 HD12 ILE 15 62.524 -2.099 -6.800
8 HD12 ILE 15 HD13 ILE 15 63.410 -2.824 -8.140
9 HG23 ILE 15 HXT ILE 15 64.084 0.908 -8.789
10 HD13 ILE 15 HXT ILE 15 63.465 -3.568 -6.542
11 HA ILE 15 HB1 ILE 15 66.426 0.291 -6.810
No H/Q in entry = 11
Start of MODEL 21
1 H SER 16 H SER 16 66.936 2.276 -7.601
2 HG SER 16 HXT SER 16 68.208 5.253 -5.832
3 HA SER 16 HB1 SER 16 65.356 4.666 -6.838
4 HB3 SER 16 HG3 SER 16 67.352 5.838 -7.648
5 HB2 SER 16 HG2 SER 16 67.984 4.334 -8.308
No H/Q in entry = 5
Start of MODEL 21
1 H LYS 17 H LYS 17 64.847 6.299 -8.509
2 HB2 LYS 17 HG2 LYS 17 63.228 7.596 -9.393
3 HB3 LYS 17 HG3 LYS 17 64.537 7.968 -10.514
4 HG2 LYS 17 HG3 LYS 17 63.047 7.551 -12.422
5 HG3 LYS 17 HD2 LYS 17 61.737 7.121 -11.322
6 HD2 LYS 17 HD3 LYS 17 61.327 9.390 -11.888
7 HE2 LYS 17 HE3 LYS 17 64.322 9.624 -11.678
8 HE3 LYS 17 HZ1 LYS 17 63.232 10.238 -12.938
9 HZ1 LYS 17 HZ2 LYS 17 63.312 11.207 -10.129
10 HZ2 LYS 17 HZ3 LYS 17 63.998 12.017 -11.455
11 HD3 LYS 17 HXT LYS 17 62.067 9.453 -10.287
12 HZ3 LYS 17 HXT LYS 17 62.317 11.807 -11.369
13 HA LYS 17 HB1 LYS 17 63.079 5.315 -10.453
No H/Q in entry = 13
Start of MODEL 21
1 H ALA 18 H ALA 18 66.535 5.556 -10.769
2 HA ALA 18 HB1 ALA 18 66.486 5.708 -13.719
3 HB1 ALA 18 HB2 ALA 18 68.572 5.622 -11.530
4 HB2 ALA 18 HB3 ALA 18 69.031 5.459 -13.227
5 HB3 ALA 18 HXT ALA 18 68.232 6.929 -12.668
No H/Q in entry = 5
Start of MODEL 21
1 H ASP 19 H ASP 19 65.425 3.306 -12.058
2 HA ASP 19 HB1 ASP 19 65.541 0.960 -12.028
3 HB3 ASP 19 HG3 ASP 19 66.338 0.006 -14.231
4 HB2 ASP 19 HG2 ASP 19 66.813 1.636 -14.702
No H/Q in entry = 4
Start of MODEL 21
1 H ILE 20 H ILE 20 67.689 2.475 -10.765
2 HB ILE 20 HG12 ILE 20 69.701 3.264 -9.575
3 HG12 ILE 20 HG13 ILE 20 70.980 2.867 -12.300
4 HG13 ILE 20 HG21 ILE 20 69.383 3.556 -12.041
5 HG21 ILE 20 HG22 ILE 20 71.577 1.834 -8.815
6 HG22 ILE 20 HG23 ILE 20 72.211 1.801 -10.461
7 HD11 ILE 20 HD12 ILE 20 70.473 5.304 -10.569
8 HD12 ILE 20 HD13 ILE 20 72.033 4.692 -11.121
9 HG23 ILE 20 HXT ILE 20 72.167 3.319 -9.563
10 HD13 ILE 20 HXT ILE 20 70.905 5.404 -12.276
11 HA ILE 20 HB1 ILE 20 70.074 0.712 -11.191
No H/Q in entry = 11
Start of MODEL 21
1 H ARG 21 H ARG 21 70.819 -0.602 -9.473
2 HB2 ARG 21 HG2 ARG 21 69.441 -2.822 -8.827
3 HB3 ARG 21 HG3 ARG 21 71.093 -2.775 -8.209
4 HG2 ARG 21 HD2 ARG 21 70.327 -3.306 -5.966
5 HG3 ARG 21 HD3 ARG 21 68.642 -3.202 -6.478
6 HD2 ARG 21 HD3 ARG 21 69.021 -5.100 -8.049
7 HE ARG 21 HH12 ARG 21 69.198 -5.270 -5.125
8 HH11 ARG 21 HH21 ARG 21 69.022 -7.111 -8.098
9 HH12 ARG 21 HH22 ARG 21 68.347 -8.496 -7.313
10 HD3 ARG 21 HXT ARG 21 70.683 -5.239 -7.444
11 HH21 ARG 21 HXT ARG 21 68.329 -7.083 -4.158
12 HH22 ARG 21 H1 ARG 21 67.959 -8.483 -5.109
13 HA ARG 21 HB1 ARG 21 68.877 -0.946 -7.223
No H/Q in entry = 13
Start of MODEL 21
1 H TYR 22 H TYR 22 69.490 -0.010 -5.360
2 HD1 TYR 22 HD2 TYR 22 73.368 2.999 -4.196
3 HD2 TYR 22 HE1 TYR 22 69.511 2.524 -6.097
4 HE1 TYR 22 HE2 TYR 22 74.013 4.677 -5.927
5 HE2 TYR 22 HH TYR 22 70.156 4.204 -7.835
6 HH TYR 22 HXT TYR 22 72.638 6.320 -7.510
7 HA TYR 22 HB1 TYR 22 72.393 0.111 -4.620
8 HB3 TYR 22 HG3 TYR 22 71.502 1.892 -3.048
9 HB2 TYR 22 HG2 TYR 22 69.943 1.699 -3.819
No H/Q in entry = 9
Start of MODEL 21
1 H GLU 23 H GLU 23 72.943 -0.704 -2.523
2 HB2 GLU 23 HG2 GLU 23 73.220 -3.234 -1.838
3 HB3 GLU 23 HG3 GLU 23 72.166 -3.877 -0.579
4 HA GLU 23 HB1 GLU 23 70.722 -1.821 -0.851
5 HG3 GLU 23 HD3 GLU 23 71.485 -3.353 -3.478
6 HG2 GLU 23 HD2 GLU 23 70.247 -3.622 -2.251
No H/Q in entry = 6
Start of MODEL 21
1 H GLY 24 H GLY 24 71.144 -1.624 1.379
2 HA2 GLY 24 HA3 GLY 24 72.842 0.409 2.273
3 HA3 GLY 24 HXT GLY 24 73.795 -1.065 2.424
No H/Q in entry = 3
Start of MODEL 21
1 H ARG 25 H ARG 25 73.601 -0.219 4.768
2 HB2 ARG 25 HG2 ARG 25 73.902 -0.118 7.010
3 HB3 ARG 25 HG3 ARG 25 72.889 -1.004 8.151
4 HG2 ARG 25 HD2 ARG 25 73.417 -3.115 6.974
5 HG3 ARG 25 HD3 ARG 25 74.450 -2.225 5.853
6 HD2 ARG 25 HD3 ARG 25 75.902 -1.521 7.721
7 HE ARG 25 HH12 ARG 25 75.776 -4.421 8.100
8 HH11 ARG 25 HH21 ARG 25 76.466 -1.870 5.805
9 HH12 ARG 25 HH22 ARG 25 77.508 -2.871 4.855
10 HD3 ARG 25 HXT ARG 25 74.856 -2.386 8.863
11 HH21 ARG 25 HXT ARG 25 77.130 -5.677 6.841
12 HH22 ARG 25 H1 ARG 25 77.881 -5.002 5.432
13 HA ARG 25 HB1 ARG 25 71.551 -1.828 6.156
No H/Q in entry = 13
Start of MODEL 21
1 H LEU 26 H LEU 26 69.712 -0.985 7.105
2 HD11 LEU 26 HD12 LEU 26 66.835 1.776 6.128
3 HD12 LEU 26 HD13 LEU 26 65.291 1.059 6.587
4 HD13 LEU 26 HD21 LEU 26 65.640 2.739 6.995
5 HD21 LEU 26 HD22 LEU 26 66.043 0.024 9.826
6 HD22 LEU 26 HD23 LEU 26 64.999 1.422 9.567
7 HG LEU 26 HXT LEU 26 67.070 2.164 8.735
8 HD23 LEU 26 HXT LEU 26 64.937 0.056 8.453
9 HA LEU 26 HB1 LEU 26 68.818 1.715 6.735
10 HB3 LEU 26 HG3 LEU 26 67.983 -0.258 8.872
11 HB2 LEU 26 HG2 LEU 26 67.490 -0.388 7.184
No H/Q in entry = 11
Start of MODEL 21
1 H TYR 27 H TYR 27 69.726 3.495 7.770
2 HD1 TYR 27 HD2 TYR 27 72.986 3.703 11.184
3 HD2 TYR 27 HE1 TYR 27 71.812 7.470 9.414
4 HE1 TYR 27 HE2 TYR 27 74.337 4.923 12.890
5 HE2 TYR 27 HH TYR 27 73.165 8.690 11.123
6 HH TYR 27 HXT TYR 27 75.426 7.807 12.661
7 HA TYR 27 HB1 TYR 27 70.950 3.152 10.468
8 HB3 TYR 27 HG3 TYR 27 70.968 5.483 8.539
9 HB2 TYR 27 HG2 TYR 27 72.156 4.193 8.530
No H/Q in entry = 9
Start of MODEL 21
1 H THR 28 H THR 28 68.687 5.348 8.754
2 HG1 THR 28 HG21 THR 28 69.044 8.904 9.704
3 HG21 THR 28 HG22 THR 28 68.511 6.662 12.678
4 HG22 THR 28 HG23 THR 28 69.969 6.850 11.705
5 HG23 THR 28 HXT THR 28 69.216 8.261 12.447
6 HA THR 28 HB1 THR 28 67.105 5.696 11.232
7 HB THR 28 HG12 THR 28 67.414 8.246 10.938
No H/Q in entry = 7
Start of MODEL 21
1 H VAL 29 H VAL 29 65.048 6.745 10.806
2 HB VAL 29 HG12 VAL 29 63.968 4.838 8.492
3 HG11 VAL 29 HG12 VAL 29 63.561 5.185 10.934
4 HG12 VAL 29 HG13 VAL 29 61.993 5.889 10.540
5 HG13 VAL 29 HG21 VAL 29 62.319 4.197 10.166
6 HG21 VAL 29 HG22 VAL 29 61.676 6.687 7.913
7 HG22 VAL 29 HG23 VAL 29 62.464 5.521 6.853
8 HG23 VAL 29 HXT VAL 29 61.357 4.964 8.108
9 HA VAL 29 HB1 VAL 29 64.367 7.233 7.946
No H/Q in entry = 9
Start of MODEL 21
1 H ASP 30 H ASP 30 62.681 8.752 7.687
2 HA ASP 30 HB1 ASP 30 61.428 9.831 10.189
3 HB3 ASP 30 HG3 ASP 30 62.098 11.517 7.788
4 HB2 ASP 30 HG2 ASP 30 63.366 11.109 8.944
No H/Q in entry = 4
Start of MODEL 21
1 HB2 PRO 31 HG2 PRO 31 56.097 8.631 9.307
2 HB3 PRO 31 HG3 PRO 31 57.100 7.185 9.089
3 HG2 PRO 31 HD2 PRO 31 57.324 9.356 11.098
4 HG3 PRO 31 HD3 PRO 31 57.640 7.622 11.264
5 HD2 PRO 31 HD3 PRO 31 59.614 9.457 11.050
6 HD3 PRO 31 HXT PRO 31 59.774 7.797 10.437
7 HA PRO 31 HB1 PRO 31 58.116 8.369 7.409
No H/Q in entry = 7
Start of MODEL 21
1 H GLN 32 H GLN 32 58.033 11.256 9.477
2 HB2 GLN 32 HG2 GLN 32 57.602 13.430 10.202
3 HB3 GLN 32 HG3 GLN 32 56.132 14.268 9.701
4 HE21 GLN 32 HE22 GLN 32 53.944 12.599 12.644
5 HE22 GLN 32 HXT GLN 32 54.737 13.517 13.832
6 HA GLN 32 HB1 GLN 32 55.651 12.343 8.138
7 HG3 GLN 32 HD3 GLN 32 56.213 11.487 10.907
8 HG2 GLN 32 HD2 GLN 32 54.762 12.390 10.471
No H/Q in entry = 8
Start of MODEL 21
1 H GLU 33 H GLU 33 59.147 12.772 7.945
2 HB2 GLU 33 HG2 GLU 33 61.197 13.333 7.099
3 HB3 GLU 33 HG3 GLU 33 61.412 14.662 5.958
4 HA GLU 33 HB1 GLU 33 58.903 14.981 6.000
5 HG3 GLU 33 HD3 GLU 33 60.184 14.844 8.725
6 HG2 GLU 33 HD2 GLU 33 60.237 16.174 7.569
No H/Q in entry = 6
Start of MODEL 21
1 H CYS 34 H CYS 34 58.288 11.722 5.704
2 HG CYS 34 HXT CYS 34 56.145 11.759 3.864
3 HA CYS 34 HB1 CYS 34 58.473 10.118 3.984
4 HB3 CYS 34 HG3 CYS 34 58.345 11.319 1.682
5 HB2 CYS 34 HG2 CYS 34 58.301 12.808 2.625
No H/Q in entry = 5
Start of MODEL 21
1 H THR 35 H THR 35 61.015 10.716 5.173
2 HG1 THR 35 HG21 THR 35 63.418 13.139 5.847
3 HG21 THR 35 HG22 THR 35 61.900 12.868 2.830
4 HG22 THR 35 HG23 THR 35 62.890 14.080 3.642
5 HG23 THR 35 HXT THR 35 63.586 13.084 2.364
6 HA THR 35 HB1 THR 35 62.844 10.519 2.803
7 HB THR 35 HG12 THR 35 64.390 11.996 4.251
No H/Q in entry = 7
Start of MODEL 21
1 H ILE 36 H ILE 36 64.803 9.338 3.244
2 HB ILE 36 HG12 ILE 36 65.335 5.852 4.777
3 HG12 ILE 36 HG13 ILE 36 64.321 7.246 2.282
4 HG13 ILE 36 HG21 ILE 36 66.031 6.926 2.561
5 HG21 ILE 36 HG22 ILE 36 63.045 6.938 5.524
6 HG22 ILE 36 HG23 ILE 36 62.716 6.932 3.792
7 HD11 ILE 36 HD12 ILE 36 65.275 4.476 2.996
8 HD12 ILE 36 HD13 ILE 36 63.788 4.952 2.176
9 HG23 ILE 36 HXT ILE 36 63.059 5.418 4.630
10 HD13 ILE 36 HXT ILE 36 65.332 5.047 1.328
11 HA ILE 36 HB1 ILE 36 65.037 8.049 5.925
No H/Q in entry = 11
Start of MODEL 21
1 H ALA 37 H ALA 37 67.217 7.118 6.262
2 HA ALA 37 HB1 ALA 37 69.285 7.975 4.277
3 HB1 ALA 37 HB2 ALA 37 68.825 9.432 6.462
4 HB2 ALA 37 HB3 ALA 37 70.474 9.146 5.898
5 HB3 ALA 37 HXT ALA 37 69.814 8.184 7.224
No H/Q in entry = 5
Start of MODEL 21
1 H LEU 38 H LEU 38 70.631 6.306 3.808
2 HD11 LEU 38 HD12 LEU 38 69.607 2.146 1.657
3 HD12 LEU 38 HD13 LEU 38 67.957 2.766 1.749
4 HD13 LEU 38 HD21 LEU 38 69.253 3.791 1.129
5 HD21 LEU 38 HD22 LEU 38 69.453 1.746 4.436
6 HD22 LEU 38 HD23 LEU 38 68.534 3.037 5.213
7 HG LEU 38 HXT LEU 38 68.788 4.491 3.395
8 HD23 LEU 38 HXT LEU 38 67.808 2.103 3.905
9 HA LEU 38 HB1 LEU 38 70.601 3.902 5.599
10 HB3 LEU 38 HG3 LEU 38 71.249 2.727 3.487
11 HB2 LEU 38 HG2 LEU 38 71.195 4.272 2.642
No H/Q in entry = 11
Start of MODEL 21
1 H SER 39 H SER 39 72.628 2.956 6.160
2 HG SER 39 HXT SER 39 73.318 2.552 8.111
3 HA SER 39 HB1 SER 39 75.010 4.721 5.663
4 HB3 SER 39 HG3 SER 39 74.087 4.605 7.992
5 HB2 SER 39 HG2 SER 39 75.730 3.981 7.890
No H/Q in entry = 5
Start of MODEL 21
1 H SER 40 H SER 40 77.034 3.597 5.297
2 HG SER 40 HXT SER 40 76.085 0.322 6.515
3 HA SER 40 HB1 SER 40 78.214 2.070 3.936
4 HB3 SER 40 HG3 SER 40 78.076 1.114 6.300
5 HB2 SER 40 HG2 SER 40 78.413 -0.055 5.030
No H/Q in entry = 5
Start of MODEL 21
1 H VAL 41 H VAL 41 77.022 2.495 1.995
2 HB VAL 41 HG12 VAL 41 73.939 2.282 1.854
3 HG11 VAL 41 HG12 VAL 41 75.753 3.911 1.264
4 HG12 VAL 41 HG13 VAL 41 75.356 3.658 -0.439
5 HG13 VAL 41 HG21 VAL 41 74.162 4.367 0.648
6 HG21 VAL 41 HG22 VAL 41 73.936 1.256 -0.946
7 HG22 VAL 41 HG23 VAL 41 72.660 1.224 0.267
8 HG23 VAL 41 HXT VAL 41 72.983 2.705 -0.628
9 HA VAL 41 HB1 VAL 41 75.228 0.255 1.157
No H/Q in entry = 9
Start of MODEL 21
1 H ARG 42 H ARG 42 75.355 -0.211 -1.119
2 HB2 ARG 42 HG2 ARG 42 78.357 -0.980 -3.349
3 HB3 ARG 42 HG3 ARG 42 78.417 -0.796 -1.598
4 HG2 ARG 42 HD2 ARG 42 76.189 -2.014 -1.498
5 HG3 ARG 42 HD3 ARG 42 76.396 -2.374 -3.213
6 HD2 ARG 42 HD3 ARG 42 78.586 -3.468 -2.682
7 HE ARG 42 HH12 ARG 42 75.955 -4.434 -2.051
8 HH11 ARG 42 HH21 ARG 42 79.322 -5.206 -1.495
9 HH12 ARG 42 HH22 ARG 42 79.009 -6.898 -1.327
10 HD3 ARG 42 HXT ARG 42 78.262 -3.200 -0.959
11 HH21 ARG 42 HXT ARG 42 75.598 -6.627 -1.825
12 HH22 ARG 42 H1 ARG 42 76.925 -7.696 -1.512
13 HA ARG 42 HB1 ARG 42 77.478 1.232 -2.653
No H/Q in entry = 13
Start of MODEL 21
1 H SER 43 H SER 43 77.165 1.163 -4.955
2 HG SER 43 HXT SER 43 76.908 3.194 -6.911
3 HA SER 43 HB1 SER 43 74.441 0.265 -5.835
4 HB3 SER 43 HG3 SER 43 75.095 2.692 -5.974
5 HB2 SER 43 HG2 SER 43 74.702 1.993 -7.542
No H/Q in entry = 5
Start of MODEL 21
1 H PHE 44 H PHE 44 74.310 -1.236 -7.524
2 HD1 PHE 44 HD2 PHE 44 76.214 -5.810 -7.992
3 HD2 PHE 44 HE1 PHE 44 73.404 -3.088 -6.152
4 HE1 PHE 44 HE2 PHE 44 76.228 -7.198 -5.917
5 HE2 PHE 44 HZ PHE 44 73.418 -4.476 -4.078
6 HZ PHE 44 HXT PHE 44 74.829 -6.532 -3.960
7 HA PHE 44 HB1 PHE 44 76.768 -2.785 -7.994
8 HB3 PHE 44 HG3 PHE 44 74.974 -4.155 -9.317
9 HB2 PHE 44 HG2 PHE 44 73.833 -3.055 -8.566
No H/Q in entry = 9
Start of MODEL 21
1 H GLY 45 H GLY 45 74.489 -0.884 -10.006
2 HA2 GLY 45 HA3 GLY 45 75.930 -1.391 -12.470
3 HA3 GLY 45 HXT GLY 45 76.394 0.144 -11.743
No H/Q in entry = 3
Start of MODEL 21
1 H THR 46 H THR 46 75.413 0.830 -13.926
2 HG1 THR 46 HG21 THR 46 74.931 3.217 -15.826
3 HG21 THR 46 HG22 THR 46 73.160 2.751 -12.452
4 HG22 THR 46 HG23 THR 46 74.001 4.159 -13.098
5 HG23 THR 46 HXT THR 46 72.280 3.942 -13.410
6 HA THR 46 HB1 THR 46 72.416 1.006 -13.784
7 HB THR 46 HG12 THR 46 72.914 3.005 -15.365
No H/Q in entry = 7
Start of MODEL 21
1 H GLU 47 H GLU 47 74.594 -0.929 -15.174
2 HB2 GLU 47 HG2 GLU 47 74.741 -2.997 -16.320
3 HB3 GLU 47 HG3 GLU 47 75.243 -2.923 -18.009
4 HA GLU 47 HB1 GLU 47 74.808 -0.427 -17.911
5 HG3 GLU 47 HD3 GLU 47 76.510 -1.398 -15.713
6 HG2 GLU 47 HD2 GLU 47 76.992 -1.273 -17.405
No H/Q in entry = 6
Start of MODEL 21
1 H ASP 48 H ASP 48 72.017 -1.744 -16.223
2 HA ASP 48 HB1 ASP 48 70.837 -3.217 -18.391
3 HB3 ASP 48 HG3 ASP 48 68.754 -2.895 -17.003
4 HB2 ASP 48 HG2 ASP 48 69.668 -1.781 -15.986
No H/Q in entry = 4
Start of MODEL 21
1 H ARG 49 H ARG 49 69.862 0.015 -17.157
2 HB2 ARG 49 HG2 ARG 49 68.698 1.990 -17.072
3 HB3 ARG 49 HG3 ARG 49 67.886 2.683 -18.478
4 HG2 ARG 49 HD2 ARG 49 66.781 0.301 -18.657
5 HG3 ARG 49 HD3 ARG 49 67.224 0.180 -16.954
6 HD2 ARG 49 HD3 ARG 49 64.979 1.094 -17.048
7 HE ARG 49 HH12 ARG 49 65.641 3.394 -18.727
8 HH11 ARG 49 HH21 ARG 49 64.716 0.020 -18.756
9 HH12 ARG 49 HH22 ARG 49 64.013 0.123 -20.332
10 HD3 ARG 49 HXT ARG 49 66.063 2.430 -16.615
11 HH21 ARG 49 HXT ARG 49 64.722 3.480 -20.764
12 HH22 ARG 49 H1 ARG 49 64.015 2.059 -21.459
13 HA ARG 49 HB1 ARG 49 68.679 0.674 -19.800
No H/Q in entry = 13
Start of MODEL 21
1 H ASP 50 H ASP 50 71.765 0.703 -18.924
2 HA ASP 50 HB1 ASP 50 72.608 3.402 -18.632
3 HB3 ASP 50 HG3 ASP 50 73.932 1.378 -18.092
4 HB2 ASP 50 HG2 ASP 50 74.832 2.477 -19.127
No H/Q in entry = 4
Start of MODEL 21
1 H THR 51 H THR 51 74.082 4.538 -20.241
2 HG1 THR 51 HG21 THR 51 73.809 6.649 -20.328
3 HG21 THR 51 HG22 THR 51 73.292 6.793 -23.946
4 HG22 THR 51 HG23 THR 51 74.442 7.963 -23.298
5 HG23 THR 51 HXT THR 51 75.026 6.522 -24.130
6 HA THR 51 HB1 THR 51 72.819 4.761 -22.893
7 HB THR 51 HG12 THR 51 75.295 6.114 -21.782
No H/Q in entry = 7
Start of MODEL 21
1 H GLN 52 H GLN 52 74.239 4.692 -24.866
2 HB2 GLN 52 HG2 GLN 52 75.973 2.763 -27.334
3 HB3 GLN 52 HG3 GLN 52 74.315 2.891 -26.758
4 HE21 GLN 52 HE22 GLN 52 77.028 5.168 -29.026
5 HE22 GLN 52 HXT GLN 52 76.071 5.042 -30.423
6 HA GLN 52 HB1 GLN 52 75.790 2.217 -24.916
7 HG3 GLN 52 HD3 GLN 52 76.157 5.287 -26.904
8 HG2 GLN 52 HD2 GLN 52 74.403 5.278 -26.735
No H/Q in entry = 8
Start of MODEL 21
1 H PHE 53 H PHE 53 76.684 5.301 -23.925
2 HD1 PHE 53 HD2 PHE 53 77.856 6.178 -26.342
3 HD2 PHE 53 HE1 PHE 53 80.231 9.051 -24.147
4 HE1 PHE 53 HE2 PHE 53 78.271 7.447 -28.451
5 HE2 PHE 53 HZ PHE 53 80.647 10.316 -26.257
6 HZ PHE 53 HXT PHE 53 79.666 9.516 -28.409
7 HA PHE 53 HB1 PHE 53 79.515 4.983 -24.767
8 HB3 PHE 53 HG3 PHE 53 79.498 7.072 -23.080
9 HB2 PHE 53 HG2 PHE 53 77.785 7.030 -23.449
No H/Q in entry = 9
Start of MODEL 21
1 H GLN 54 H GLN 54 81.196 4.846 -23.071
2 HB2 GLN 54 HG2 GLN 54 82.999 4.555 -21.607
3 HB3 GLN 54 HG3 GLN 54 83.001 3.162 -20.525
4 HE21 GLN 54 HE22 GLN 54 84.255 0.667 -23.449
5 HE22 GLN 54 HXT GLN 54 85.804 1.360 -23.444
6 HA GLN 54 HB1 GLN 54 80.588 2.771 -21.139
7 HG3 GLN 54 HD3 GLN 54 82.350 3.058 -23.486
8 HG2 GLN 54 HD2 GLN 54 82.432 1.678 -22.391
No H/Q in entry = 8
Start of MODEL 21
1 H ILE 55 H ILE 55 80.190 2.951 -18.944
2 HB ILE 55 HG12 ILE 55 78.566 3.246 -17.038
3 HG12 ILE 55 HG13 ILE 55 77.667 5.847 -18.319
4 HG13 ILE 55 HG21 ILE 55 78.042 4.398 -19.251
5 HG21 ILE 55 HG22 ILE 55 79.047 4.796 -15.132
6 HG22 ILE 55 HG23 ILE 55 78.337 6.114 -16.065
7 HD11 ILE 55 HD12 ILE 55 76.348 3.144 -17.914
8 HD12 ILE 55 HD13 ILE 55 75.926 4.647 -17.094
9 HG23 ILE 55 HXT ILE 55 77.337 4.751 -15.562
10 HD13 ILE 55 HXT ILE 55 75.641 4.477 -18.825
11 HA ILE 55 HB1 ILE 55 80.231 5.702 -17.738
No H/Q in entry = 11
Start of MODEL 21
1 H ALA 56 H ALA 56 81.481 5.975 -15.908
2 HA ALA 56 HB1 ALA 56 83.454 4.002 -15.174
3 HB1 ALA 56 HB2 ALA 56 82.483 6.503 -13.750
4 HB2 ALA 56 HB3 ALA 56 83.727 6.458 -15.000
5 HB3 ALA 56 HXT ALA 56 84.012 5.678 -13.444
No H/Q in entry = 5
Start of MODEL 21
1 HB2 PRO 57 HG2 PRO 57 82.279 -0.206 -11.774
2 HB3 PRO 57 HG3 PRO 57 81.314 -0.233 -13.262
3 HG2 PRO 57 HD2 PRO 57 84.168 0.487 -12.871
4 HG3 PRO 57 HD3 PRO 57 83.390 -0.369 -14.211
5 HD2 PRO 57 HD3 PRO 57 84.143 2.235 -14.352
6 HD3 PRO 57 HXT PRO 57 82.771 1.567 -15.265
7 HA PRO 57 HB1 PRO 57 80.514 1.791 -12.509
No H/Q in entry = 7
Start of MODEL 21
1 H GLN 58 H GLN 58 80.240 1.864 -10.256
2 HB2 GLN 58 HG2 GLN 58 79.412 2.682 -8.261
3 HB3 GLN 58 HG3 GLN 58 80.412 3.576 -7.116
4 HE21 GLN 58 HE22 GLN 58 79.428 7.130 -8.772
5 HE22 GLN 58 HXT GLN 58 77.841 7.029 -8.178
6 HA GLN 58 HB1 GLN 58 82.348 3.302 -8.720
7 HG3 GLN 58 HD3 GLN 58 79.955 4.381 -10.005
8 HG2 GLN 58 HD2 GLN 58 80.868 5.290 -8.801
No H/Q in entry = 8
Start of MODEL 21
1 H SER 59 H SER 59 83.750 1.970 -7.641
2 HG SER 59 HXT SER 59 86.175 -1.587 -6.450
3 HA SER 59 HB1 SER 59 82.796 -0.672 -6.631
4 HB3 SER 59 HG3 SER 59 85.597 0.479 -6.745
5 HB2 SER 59 HG2 SER 59 84.848 -0.351 -8.106
No H/Q in entry = 5
Start of MODEL 21
1 H GLN 60 H GLN 60 84.155 2.420 -5.568
2 HB2 GLN 60 HG2 GLN 60 83.905 4.318 -4.184
3 HB3 GLN 60 HG3 GLN 60 84.575 4.232 -2.555
4 HE21 GLN 60 HE22 GLN 60 88.279 4.838 -3.521
5 HE22 GLN 60 HXT GLN 60 88.003 6.457 -3.949
6 HA GLN 60 HB1 GLN 60 84.807 1.738 -2.868
7 HG3 GLN 60 HD3 GLN 60 85.982 3.321 -5.083
8 HG2 GLN 60 HD2 GLN 60 86.647 3.239 -3.452
No H/Q in entry = 8
Start of MODEL 21
1 H ILE 61 H ILE 61 83.591 2.029 -0.921
2 HB ILE 61 HG12 ILE 61 82.479 1.432 1.160
3 HG12 ILE 61 HG13 ILE 61 83.059 -0.179 -0.614
4 HG13 ILE 61 HG21 ILE 61 82.284 -1.004 0.735
5 HG21 ILE 61 HG22 ILE 61 79.563 0.860 0.671
6 HG22 ILE 61 HG23 ILE 61 80.466 -0.054 1.878
7 HD11 ILE 61 HD12 ILE 61 80.126 -0.952 -0.496
8 HD12 ILE 61 HD13 ILE 61 80.936 -0.177 -1.857
9 HG23 ILE 61 HXT ILE 61 80.314 1.696 2.030
10 HD13 ILE 61 HXT ILE 61 81.370 -1.821 -1.393
11 HA ILE 61 HB1 ILE 61 80.646 1.748 -1.245
No H/Q in entry = 11
Start of MODEL 21
1 H TYR 62 H TYR 62 79.203 3.258 -0.351
2 HD1 TYR 62 HD2 TYR 62 79.766 7.674 -1.449
3 HD2 TYR 62 HE1 TYR 62 77.621 4.035 -2.372
4 HE1 TYR 62 HE2 TYR 62 80.291 7.979 -3.870
5 HE2 TYR 62 HH TYR 62 78.146 4.339 -4.793
6 HH TYR 62 HXT TYR 62 79.267 7.232 -6.088
7 HA TYR 62 HB1 TYR 62 80.352 5.885 0.437
8 HB3 TYR 62 HG3 TYR 62 77.980 6.588 0.118
9 HB2 TYR 62 HG2 TYR 62 77.555 4.916 -0.193
No H/Q in entry = 9
Start of MODEL 21
1 H ASP 63 H ASP 63 80.654 6.212 2.600
2 HA ASP 63 HB1 ASP 63 79.785 4.693 4.784
3 HB3 ASP 63 HG3 ASP 63 80.175 6.847 6.049
4 HB2 ASP 63 HG2 ASP 63 80.321 7.659 4.491
No H/Q in entry = 4
Start of MODEL 21
1 H TYR 64 H TYR 64 78.087 7.452 3.266
2 HD1 TYR 64 HD2 TYR 64 74.245 9.902 4.161
3 HD2 TYR 64 HE1 TYR 64 75.479 8.165 7.925
4 HE1 TYR 64 HE2 TYR 64 72.114 10.654 5.205
5 HE2 TYR 64 HH TYR 64 73.344 8.921 8.965
6 HH TYR 64 HXT TYR 64 71.406 11.214 7.754
7 HA TYR 64 HB1 TYR 64 75.548 6.668 4.585
8 HB3 TYR 64 HG3 TYR 64 76.822 9.394 4.931
9 HB2 TYR 64 HG2 TYR 64 76.941 8.117 6.125
No H/Q in entry = 9
Start of MODEL 21
1 H ILE 65 H ILE 65 73.942 6.969 3.091
2 HB ILE 65 HG12 ILE 65 73.113 6.520 0.662
3 HG12 ILE 65 HG13 ILE 65 75.507 8.032 -0.450
4 HG13 ILE 65 HG21 ILE 65 75.594 6.724 0.729
5 HG21 ILE 65 HG22 ILE 65 73.249 9.000 -1.091
6 HG22 ILE 65 HG23 ILE 65 72.869 7.382 -1.683
7 HD11 ILE 65 HD12 ILE 65 74.191 5.419 -1.111
8 HD12 ILE 65 HD13 ILE 65 74.925 6.605 -2.189
9 HG23 ILE 65 HXT ILE 65 71.785 8.183 -0.544
10 HD13 ILE 65 HXT ILE 65 75.947 5.534 -1.233
11 HA ILE 65 HB1 ILE 65 74.171 9.317 1.228
No H/Q in entry = 11
Start of MODEL 21
1 H LEU 66 H LEU 66 72.495 10.706 1.503
2 HD11 LEU 66 HD12 LEU 66 69.905 11.706 5.052
3 HD12 LEU 66 HD13 LEU 66 68.277 12.384 5.069
4 HD13 LEU 66 HD21 LEU 66 68.561 10.790 4.369
5 HD21 LEU 66 HD22 LEU 66 69.695 14.387 2.412
6 HD22 LEU 66 HD23 LEU 66 68.257 14.315 3.430
7 HG LEU 66 HXT LEU 66 68.439 12.144 2.462
8 HD23 LEU 66 HXT LEU 66 69.859 14.207 4.158
9 HA LEU 66 HB1 LEU 66 70.058 9.882 2.970
10 HB3 LEU 66 HG3 LEU 66 70.847 12.543 1.740
11 HB2 LEU 66 HG2 LEU 66 71.331 12.027 3.356
No H/Q in entry = 11
Start of MODEL 21
1 H PHE 67 H PHE 67 68.054 9.618 1.979
2 HD1 PHE 67 HD2 PHE 67 68.221 9.125 -2.760
3 HD2 PHE 67 HE1 PHE 67 69.318 6.045 0.069
4 HE1 PHE 67 HE2 PHE 67 70.030 8.357 -4.291
5 HE2 PHE 67 HZ PHE 67 71.139 5.287 -1.461
6 HZ PHE 67 HXT PHE 67 71.496 6.444 -3.643
7 HA PHE 67 HB1 PHE 67 67.866 10.108 -0.968
8 HB3 PHE 67 HG3 PHE 67 66.590 7.764 -0.739
9 HB2 PHE 67 HG2 PHE 67 67.668 7.598 0.633
No H/Q in entry = 9
Start of MODEL 21
1 H ARG 68 H ARG 68 65.975 11.127 -1.467
2 HB2 ARG 68 HG2 ARG 68 64.259 12.489 -2.231
3 HB3 ARG 68 HG3 ARG 68 62.869 12.866 -1.215
4 HG2 ARG 68 HD2 ARG 68 64.397 13.647 0.571
5 HG3 ARG 68 HD3 ARG 68 65.778 13.300 -0.470
6 HD2 ARG 68 HD3 ARG 68 64.738 14.880 -2.185
7 HE ARG 68 HH12 ARG 68 66.389 15.403 -0.012
8 HH11 ARG 68 HH21 ARG 68 63.923 17.234 -1.690
9 HH12 ARG 68 HH22 ARG 68 64.663 18.753 -1.324
10 HD3 ARG 68 HXT ARG 68 63.613 15.378 -0.905
11 HH21 ARG 68 HXT ARG 68 67.310 17.388 0.436
12 HH22 ARG 68 H1 ARG 68 66.560 18.841 -0.135
13 HA ARG 68 HB1 ARG 68 63.775 11.280 0.511
No H/Q in entry = 13
Start of MODEL 21
1 H GLY 69 H GLY 69 61.661 10.455 0.091
2 HA2 GLY 69 HA3 GLY 69 60.055 8.991 -0.793
3 HA3 GLY 69 HXT GLY 69 61.414 8.014 -1.345
No H/Q in entry = 3
Start of MODEL 21
1 H SER 70 H SER 70 61.131 11.320 -2.448
2 HG SER 70 HXT SER 70 60.304 13.917 -3.013
3 HA SER 70 HB1 SER 70 59.502 10.894 -4.780
4 HB3 SER 70 HG3 SER 70 60.376 13.092 -5.425
5 HB2 SER 70 HG2 SER 70 61.688 12.933 -4.261
No H/Q in entry = 5
Start of MODEL 21
1 H ASP 71 H ASP 71 63.029 10.722 -4.266
2 HA ASP 71 HB1 ASP 71 63.566 10.407 -7.138
3 HB3 ASP 71 HG3 ASP 71 65.079 11.650 -5.650
4 HB2 ASP 71 HG2 ASP 71 65.916 10.271 -6.355
No H/Q in entry = 4
Start of MODEL 21
1 H ILE 72 H ILE 72 63.441 8.283 -4.288
2 HB ILE 72 HG12 ILE 72 64.280 6.544 -3.137
3 HG12 ILE 72 HG13 ILE 72 66.193 5.072 -4.929
4 HG13 ILE 72 HG21 ILE 72 66.026 6.818 -5.091
5 HG21 ILE 72 HG22 ILE 72 63.118 4.347 -3.248
6 HG22 ILE 72 HG23 ILE 72 64.348 3.766 -4.370
7 HD11 ILE 72 HD12 ILE 72 66.707 5.346 -2.536
8 HD12 ILE 72 HD13 ILE 72 67.844 6.253 -3.535
9 HG23 ILE 72 HXT ILE 72 64.787 4.172 -2.711
10 HD13 ILE 72 HXT ILE 72 66.536 7.092 -2.697
11 HA ILE 72 HB1 ILE 72 63.986 5.944 -6.073
No H/Q in entry = 11
Start of MODEL 21
1 H LYS 73 H LYS 73 62.479 4.229 -6.189
2 HB2 LYS 73 HG2 LYS 73 60.683 5.017 -8.040
3 HB3 LYS 73 HG3 LYS 73 60.740 3.277 -7.765
4 HG2 LYS 73 HG3 LYS 73 58.292 3.287 -7.332
5 HG3 LYS 73 HD2 LYS 73 58.255 5.013 -7.694
6 HD2 LYS 73 HD3 LYS 73 59.132 4.548 -9.963
7 HE2 LYS 73 HE3 LYS 73 56.592 4.402 -9.234
8 HE3 LYS 73 HZ1 LYS 73 57.059 3.848 -10.855
9 HZ1 LYS 73 HZ2 LYS 73 56.915 2.129 -8.433
10 HZ2 LYS 73 HZ3 LYS 73 55.752 2.166 -9.667
11 HD3 LYS 73 HXT LYS 73 59.128 2.821 -9.601
12 HZ3 LYS 73 HXT LYS 73 57.326 1.617 -10.000
13 HA LYS 73 HB1 LYS 73 59.715 5.266 -5.723
No H/Q in entry = 13
Start of MODEL 21
1 H ASP 74 H ASP 74 61.811 2.488 -5.073
2 HA ASP 74 HB1 ASP 74 59.516 1.155 -3.715
3 HB3 ASP 74 HG3 ASP 74 61.168 -0.224 -5.852
4 HB2 ASP 74 HG2 ASP 74 59.590 0.503 -6.161
No H/Q in entry = 4
Start of MODEL 21
1 H ILE 75 H ILE 75 60.126 -0.092 -1.993
2 HB ILE 75 HG12 ILE 75 62.343 1.387 -0.419
3 HG12 ILE 75 HG13 ILE 75 62.654 -0.793 1.645
4 HG13 ILE 75 HG21 ILE 75 63.975 -0.374 0.553
5 HG21 ILE 75 HG22 ILE 75 59.943 0.763 -0.144
6 HG22 ILE 75 HG23 ILE 75 60.418 -0.419 1.076
7 HD11 ILE 75 HD12 ILE 75 63.514 2.075 1.307
8 HD12 ILE 75 HD13 ILE 75 62.659 1.331 2.658
9 HG23 ILE 75 HXT ILE 75 60.680 1.302 1.365
10 HD13 ILE 75 HXT ILE 75 64.375 1.006 2.414
11 HA ILE 75 HB1 ILE 75 63.037 -0.683 -1.610
No H/Q in entry = 11
Start of MODEL 21
1 H ARG 76 H ARG 76 63.439 -2.643 -0.491
2 HB2 ARG 76 HG2 ARG 76 62.918 -4.976 -1.646
3 HB3 ARG 76 HG3 ARG 76 62.023 -6.158 -0.689
4 HG2 ARG 76 HD2 ARG 76 59.919 -4.886 -1.192
5 HG3 ARG 76 HD3 ARG 76 60.854 -3.852 -2.272
6 HD2 ARG 76 HD3 ARG 76 61.492 -5.819 -3.626
7 HE ARG 76 HH12 ARG 76 59.450 -5.044 -4.546
8 HH11 ARG 76 HH21 ARG 76 58.854 -6.630 -1.482
9 HH12 ARG 76 HH22 ARG 76 57.137 -6.570 -1.674
10 HD3 ARG 76 HXT ARG 76 60.550 -6.865 -2.546
11 HH21 ARG 76 HXT ARG 76 57.223 -4.986 -4.746
12 HH22 ARG 76 H1 ARG 76 56.222 -5.648 -3.498
13 HA ARG 76 HB1 ARG 76 61.141 -4.143 0.658
No H/Q in entry = 13
Start of MODEL 21
1 H VAL 77 H VAL 77 61.777 -5.076 2.557
2 HB VAL 77 HG12 VAL 77 62.113 -5.897 4.808
3 HG11 VAL 77 HG12 VAL 77 64.880 -5.166 5.821
4 HG12 VAL 77 HG13 VAL 77 63.484 -5.529 6.838
5 HG13 VAL 77 HG21 VAL 77 64.179 -6.785 5.812
6 HG21 VAL 77 HG22 VAL 77 63.497 -3.239 4.471
7 HG22 VAL 77 HG23 VAL 77 61.776 -3.611 4.365
8 HG23 VAL 77 HXT VAL 77 62.576 -3.582 5.935
9 HA VAL 77 HB1 VAL 77 64.628 -5.021 3.334
No H/Q in entry = 9
Start of MODEL 21
1 H VAL 78 H VAL 78 65.861 -6.905 3.796
2 HB VAL 78 HG12 VAL 78 67.580 -8.609 3.685
3 HG11 VAL 78 HG12 VAL 78 66.618 -10.981 2.082
4 HG12 VAL 78 HG13 VAL 78 68.311 -10.487 2.063
5 HG13 VAL 78 HG21 VAL 78 67.552 -10.976 3.579
6 HG21 VAL 78 HG22 VAL 78 66.884 -7.186 1.779
7 HG22 VAL 78 HG23 VAL 78 68.226 -8.240 1.331
8 HG23 VAL 78 HXT VAL 78 66.587 -8.633 0.815
9 HA VAL 78 HB1 VAL 78 64.880 -9.410 2.534
No H/Q in entry = 9
Start of MODEL 21
1 H ASN 79 H ASN 79 64.054 -11.028 3.789
2 HD21 ASN 79 HD22 ASN 79 61.785 -8.722 5.666
3 HD22 ASN 79 HXT ASN 79 60.564 -9.490 4.770
4 HA ASN 79 HB1 ASN 79 65.098 -11.518 6.509
5 HB3 ASN 79 HG3 ASN 79 63.397 -9.772 6.828
6 HB2 ASN 79 HG2 ASN 79 62.823 -11.294 7.504
No H/Q in entry = 6
Start of MODEL 21
1 H ASN 80 H ASN 80 63.621 -13.426 7.474
2 HD21 ASN 80 HD22 ASN 80 66.726 -15.101 7.181
3 HD22 ASN 80 HXT ASN 80 66.608 -15.218 8.870
4 HA ASN 80 HB1 ASN 80 62.739 -15.279 5.310
5 HB3 ASN 80 HG3 ASN 80 65.125 -15.703 5.722
6 HB2 ASN 80 HG2 ASN 80 64.168 -17.057 6.314
No H/Q in entry = 6
Start of MODEL 21
1 H HIS 81 H HIS 81 61.808 -17.358 6.445
2 HD1 HIS 81 HD2 HIS 81 57.568 -15.665 8.265
3 HD2 HIS 81 HE1 HIS 81 57.503 -19.834 8.320
4 HE1 HIS 81 HE2 HIS 81 55.457 -16.332 9.495
5 HA HIS 81 HB1 HIS 81 60.206 -16.486 8.832
6 HB3 HIS 81 HG3 HIS 81 59.488 -18.609 6.815
7 HB2 HIS 81 HG2 HIS 81 59.187 -16.912 6.489
No H/Q in entry = 7
Start of MODEL 21
1 H THR 82 H THR 82 60.485 -17.708 10.661
2 HG1 THR 82 HG21 THR 82 60.430 -18.646 13.258
3 HG21 THR 82 HG22 THR 82 63.052 -17.571 10.968
4 HG22 THR 82 HG23 THR 82 63.621 -17.549 12.636
5 HG23 THR 82 HXT THR 82 64.093 -18.864 11.562
6 HA THR 82 HB1 THR 82 62.144 -20.181 10.472
7 HB THR 82 HG12 THR 82 62.363 -19.748 12.948
No H/Q in entry = 7
Start of MODEL 21
1 H LEU 83 H LEU 83 61.480 -22.064 11.758
2 HD11 LEU 83 HD12 LEU 83 57.473 -24.653 9.162
3 HD12 LEU 83 HD13 LEU 83 55.903 -24.553 9.960
4 HD13 LEU 83 HD21 LEU 83 56.684 -23.089 9.362
5 HD21 LEU 83 HD22 LEU 83 58.442 -25.803 11.472
6 HD22 LEU 83 HD23 LEU 83 57.783 -25.066 12.933
7 HG LEU 83 HXT LEU 83 56.987 -23.177 11.766
8 HD23 LEU 83 HXT LEU 83 56.699 -25.765 11.730
9 HA LEU 83 HB1 LEU 83 58.681 -22.172 12.720
10 HB3 LEU 83 HG3 LEU 83 59.612 -24.150 10.648
11 HB2 LEU 83 HG2 LEU 83 58.944 -22.594 10.155
No H/Q in entry = 11
Start of MODEL 21
1 HB2 PRO 84 HG2 PRO 84 59.495 -25.030 17.398
2 HB3 PRO 84 HG3 PRO 84 60.619 -23.670 17.221
3 HG2 PRO 84 HD2 PRO 84 57.734 -23.840 16.542
4 HG3 PRO 84 HD3 PRO 84 58.664 -22.486 17.200
5 HD2 PRO 84 HD3 PRO 84 57.909 -22.666 14.587
6 HD3 PRO 84 HXT PRO 84 59.351 -21.783 15.136
7 HA PRO 84 HB1 PRO 84 61.314 -24.812 15.342
No H/Q in entry = 7
Start of MODEL 22
1 H1 GLY -3 H1 GLY -3 64.292 -2.878 43.693
2 H2 GLY -3 H2 GLY -3 63.257 -4.224 43.684
3 H3 GLY -3 H3 GLY -3 63.790 -3.550 42.219
4 HA2 GLY -3 HA3 GLY -3 62.024 -2.215 44.198
5 HA3 GLY -3 HXT GLY -3 61.507 -2.910 42.661
No H/Q in entry = 5
Start of MODEL 22
1 H ALA -2 H ALA -2 63.288 -2.094 40.846
2 HA ALA -2 HB1 ALA -2 63.668 0.853 41.177
3 HB1 ALA -2 HB2 ALA -2 65.500 -0.888 40.547
4 HB2 ALA -2 HB3 ALA -2 64.731 -0.898 38.961
5 HB3 ALA -2 HXT ALA -2 65.412 0.598 39.601
No H/Q in entry = 5
Start of MODEL 22
1 H MET -1 H MET -1 62.750 2.287 39.662
2 HB2 MET -1 HG2 MET -1 60.262 3.059 39.706
3 HB3 MET -1 HG3 MET -1 61.292 4.052 38.674
4 HE1 MET -1 HE2 MET -1 60.356 5.900 36.878
5 HE2 MET -1 HE3 MET -1 59.625 7.248 37.747
6 HE3 MET -1 HXT MET -1 60.809 6.208 38.553
7 HA MET -1 HB1 MET -1 60.520 1.190 38.023
8 HG3 MET -1 HD3 MET -1 58.637 2.810 37.897
9 HG2 MET -1 HD2 MET -1 59.689 3.699 36.796
No H/Q in entry = 9
Start of MODEL 22
1 H ALA 0 H ALA 0 60.839 0.914 35.856
2 HA ALA 0 HB1 ALA 0 62.553 2.813 34.347
3 HB1 ALA 0 HB2 ALA 0 63.007 -0.172 34.627
4 HB2 ALA 0 HB3 ALA 0 64.115 1.123 35.082
5 HB3 ALA 0 HXT ALA 0 63.776 0.809 33.379
No H/Q in entry = 5
Start of MODEL 22
1 H MET 1 H MET 1 62.212 2.597 32.003
2 HB2 MET 1 HG2 MET 1 59.219 3.042 29.795
3 HB3 MET 1 HG3 MET 1 59.322 3.512 31.489
4 HE1 MET 1 HE2 MET 1 59.712 4.044 28.079
5 HE2 MET 1 HE3 MET 1 58.720 5.486 27.877
6 HE3 MET 1 HXT MET 1 60.407 5.487 27.347
7 HA MET 1 HB1 MET 1 59.714 1.097 31.277
8 HG3 MET 1 HD3 MET 1 61.612 3.759 29.513
9 HG2 MET 1 HD2 MET 1 61.583 4.357 31.172
No H/Q in entry = 9
Start of MODEL 22
1 H SER 2 H SER 2 59.616 0.459 28.982
2 HG SER 2 HXT SER 2 61.273 -3.102 26.675
3 HA SER 2 HB1 SER 2 62.343 -0.001 27.818
4 HB3 SER 2 HG3 SER 2 59.728 -1.501 27.451
5 HB2 SER 2 HG2 SER 2 60.998 -1.963 28.582
No H/Q in entry = 5
Start of MODEL 22
1 H GLY 3 H GLY 3 62.717 0.645 25.699
2 HA2 GLY 3 HA3 GLY 3 62.353 2.202 23.920
3 HA3 GLY 3 HXT GLY 3 60.674 2.366 24.437
No H/Q in entry = 3
Start of MODEL 22
1 H GLY 4 H GLY 4 60.904 2.084 21.810
2 HA2 GLY 4 HA3 GLY 4 59.322 0.159 20.841
3 HA3 GLY 4 HXT GLY 4 60.793 -0.785 21.078
No H/Q in entry = 3
Start of MODEL 22
1 H LEU 5 H LEU 5 62.820 0.615 20.199
2 HD11 LEU 5 HD12 LEU 5 66.294 3.155 19.590
3 HD12 LEU 5 HD13 LEU 5 65.456 4.176 20.758
4 HD13 LEU 5 HD21 LEU 5 65.515 2.429 20.996
5 HD21 LEU 5 HD22 LEU 5 64.620 4.312 17.780
6 HD22 LEU 5 HD23 LEU 5 62.916 4.322 18.238
7 HG LEU 5 HXT LEU 5 63.323 2.940 20.147
8 HD23 LEU 5 HXT LEU 5 64.096 5.197 19.213
9 HA LEU 5 HB1 LEU 5 62.270 2.201 17.795
10 HB3 LEU 5 HG3 LEU 5 64.799 2.102 17.661
11 HB2 LEU 5 HG2 LEU 5 64.768 1.046 19.074
No H/Q in entry = 11
Start of MODEL 22
1 HB2 PRO 6 HG2 PRO 6 63.621 0.077 12.737
2 HB3 PRO 6 HG3 PRO 6 61.927 0.439 13.121
3 HG2 PRO 6 HD2 PRO 6 64.380 1.992 13.742
4 HG3 PRO 6 HD3 PRO 6 62.763 2.559 13.298
5 HD2 PRO 6 HD3 PRO 6 63.710 2.609 15.843
6 HD3 PRO 6 HXT PRO 6 61.986 2.439 15.448
7 HA PRO 6 HB1 PRO 6 62.226 -1.070 14.833
No H/Q in entry = 7
Start of MODEL 22
1 H GLU 7 H GLU 7 63.625 -2.701 13.880
2 HB2 GLU 7 HG2 GLU 7 64.884 -4.315 12.725
3 HB3 GLU 7 HG3 GLU 7 66.242 -5.062 13.567
4 HA GLU 7 HB1 GLU 7 66.045 -3.261 15.322
5 HG3 GLU 7 HD3 GLU 7 63.454 -4.650 14.690
6 HG2 GLU 7 HD2 GLU 7 64.816 -5.325 15.586
No H/Q in entry = 6
Start of MODEL 22
1 H LEU 8 H LEU 8 67.601 -1.602 15.083
2 HD11 LEU 8 HD12 LEU 8 69.602 0.721 16.902
3 HD12 LEU 8 HD13 LEU 8 70.085 2.123 15.946
4 HD13 LEU 8 HD21 LEU 8 68.532 2.118 16.782
5 HD21 LEU 8 HD22 LEU 8 69.244 2.182 13.427
6 HD22 LEU 8 HD23 LEU 8 67.560 1.674 13.299
7 HG LEU 8 HXT LEU 8 67.650 0.442 15.301
8 HD23 LEU 8 HXT LEU 8 68.025 2.899 14.481
9 HA LEU 8 HB1 LEU 8 68.328 -0.305 12.630
10 HB3 LEU 8 HG3 LEU 8 70.363 0.310 13.964
11 HB2 LEU 8 HG2 LEU 8 69.848 -0.833 15.202
No H/Q in entry = 11
Start of MODEL 22
1 H GLY 9 H GLY 9 70.251 -0.651 11.322
2 HA2 GLY 9 HA3 GLY 9 71.939 -2.995 11.709
3 HA3 GLY 9 HXT GLY 9 72.030 -1.846 10.393
No H/Q in entry = 3
Start of MODEL 22
1 H SER 10 H SER 10 68.840 -2.805 10.454
2 HG SER 10 HXT SER 10 66.921 -5.315 10.615
3 HA SER 10 HB1 SER 10 68.858 -5.388 9.230
4 HB3 SER 10 HG3 SER 10 66.595 -4.667 8.444
5 HB2 SER 10 HG2 SER 10 66.976 -3.024 8.951
No H/Q in entry = 5
Start of MODEL 22
1 H LYS 11 H LYS 11 69.264 -6.023 7.121
2 HB2 LYS 11 HG2 LYS 11 70.946 -6.071 3.953
3 HB3 LYS 11 HG3 LYS 11 71.305 -6.382 5.647
4 HG2 LYS 11 HG3 LYS 11 69.021 -7.468 5.838
5 HG3 LYS 11 HD2 LYS 11 68.878 -7.317 4.088
6 HD2 LYS 11 HD3 LYS 11 71.113 -8.548 3.940
7 HE2 LYS 11 HE3 LYS 11 68.510 -9.744 4.870
8 HE3 LYS 11 HZ1 LYS 11 69.315 -9.894 3.294
9 HZ1 LYS 11 HZ2 LYS 11 70.324 -11.014 5.858
10 HZ2 LYS 11 HZ3 LYS 11 69.585 -11.913 4.620
11 HD3 LYS 11 HXT LYS 11 70.904 -8.926 5.651
12 HZ3 LYS 11 HXT LYS 11 71.081 -11.156 4.347
13 HA LYS 11 HB1 LYS 11 70.426 -4.073 5.261
No H/Q in entry = 13
Start of MODEL 22
1 H ILE 12 H ILE 12 69.284 -2.990 3.716
2 HB ILE 12 HG12 ILE 12 67.467 -1.240 3.311
3 HG12 ILE 12 HG13 ILE 12 65.409 -2.947 4.747
4 HG13 ILE 12 HG21 ILE 12 67.047 -2.688 5.345
5 HG21 ILE 12 HG22 ILE 12 65.872 -1.470 1.431
6 HG22 ILE 12 HG23 ILE 12 64.801 -2.423 2.457
7 HD11 ILE 12 HD12 ILE 12 66.528 -0.167 5.124
8 HD12 ILE 12 HD13 ILE 12 64.839 -0.659 4.997
9 HG23 ILE 12 HXT ILE 12 65.097 -0.724 2.828
10 HD13 ILE 12 HXT ILE 12 65.760 -1.037 6.452
11 HA ILE 12 HB1 ILE 12 66.649 -4.129 2.828
No H/Q in entry = 11
Start of MODEL 22
1 H SER 13 H SER 13 66.235 -4.047 0.628
2 HG SER 13 HXT SER 13 67.795 -5.454 -3.356
3 HA SER 13 HB1 SER 13 68.435 -3.141 -1.171
4 HB3 SER 13 HG3 SER 13 65.970 -4.846 -1.668
5 HB2 SER 13 HG2 SER 13 67.561 -5.485 -1.266
No H/Q in entry = 5
Start of MODEL 22
1 H LEU 14 H LEU 14 68.021 -1.525 -2.716
2 HD11 LEU 14 HD12 LEU 14 65.303 1.602 -0.152
3 HD12 LEU 14 HD13 LEU 14 64.588 3.030 -0.899
4 HD13 LEU 14 HD21 LEU 14 64.376 1.445 -1.643
5 HD21 LEU 14 HD22 LEU 14 67.718 2.993 -0.424
6 HD22 LEU 14 HD23 LEU 14 67.856 3.798 -1.987
7 HG LEU 14 HXT LEU 14 66.076 2.568 -2.917
8 HD23 LEU 14 HXT LEU 14 66.511 4.183 -0.913
9 HA LEU 14 HB1 LEU 14 65.391 -0.110 -2.492
10 HB3 LEU 14 HG3 LEU 14 68.119 1.197 -2.362
11 HB2 LEU 14 HG2 LEU 14 67.283 0.638 -0.915
No H/Q in entry = 11
Start of MODEL 22
1 H ILE 15 H ILE 15 64.641 0.418 -4.517
2 HB ILE 15 HG12 ILE 15 63.563 0.006 -6.682
3 HG12 ILE 15 HG13 ILE 15 65.716 -2.047 -7.266
4 HG13 ILE 15 HG21 ILE 15 65.039 -1.808 -5.656
5 HG21 ILE 15 HG22 ILE 15 64.365 0.935 -8.842
6 HG22 ILE 15 HG23 ILE 15 65.511 -0.398 -8.976
7 HD11 ILE 15 HD12 ILE 15 62.752 -2.191 -6.643
8 HD12 ILE 15 HD13 ILE 15 63.542 -2.629 -8.159
9 HG23 ILE 15 HXT ILE 15 63.777 -0.717 -9.020
10 HD13 ILE 15 HXT ILE 15 63.808 -3.602 -6.712
11 HA ILE 15 HB1 ILE 15 66.581 0.400 -6.805
No H/Q in entry = 11
Start of MODEL 22
1 H SER 16 H SER 16 67.049 2.391 -7.613
2 HG SER 16 HXT SER 16 68.185 5.441 -5.821
3 HA SER 16 HB1 SER 16 65.408 4.743 -6.860
4 HB3 SER 16 HG3 SER 16 67.388 5.957 -7.684
5 HB2 SER 16 HG2 SER 16 68.064 4.448 -8.289
No H/Q in entry = 5
Start of MODEL 22
1 H LYS 17 H LYS 17 64.860 6.361 -8.518
2 HB2 LYS 17 HG2 LYS 17 63.193 7.603 -9.417
3 HB3 LYS 17 HG3 LYS 17 64.522 8.057 -10.483
4 HG2 LYS 17 HG3 LYS 17 63.130 7.670 -12.450
5 HG3 LYS 17 HD2 LYS 17 61.811 7.084 -11.434
6 HD2 LYS 17 HD3 LYS 17 61.260 9.349 -11.907
7 HE2 LYS 17 HE3 LYS 17 64.212 9.792 -11.505
8 HE3 LYS 17 HZ1 LYS 17 63.156 10.381 -12.804
9 HZ1 LYS 17 HZ2 LYS 17 62.010 11.776 -11.202
10 HZ2 LYS 17 HZ3 LYS 17 63.021 11.220 -9.955
11 HD3 LYS 17 HXT LYS 17 61.909 9.370 -10.267
12 HZ3 LYS 17 HXT LYS 17 63.664 12.150 -11.223
13 HA LYS 17 HB1 LYS 17 63.179 5.346 -10.528
No H/Q in entry = 13
Start of MODEL 22
1 H ALA 18 H ALA 18 66.627 5.694 -10.736
2 HA ALA 18 HB1 ALA 18 66.667 5.909 -13.680
3 HB1 ALA 18 HB2 ALA 18 68.725 5.707 -11.462
4 HB2 ALA 18 HB3 ALA 18 69.181 5.712 -13.168
5 HB3 ALA 18 HXT ALA 18 68.358 7.107 -12.472
No H/Q in entry = 5
Start of MODEL 22
1 H ASP 19 H ASP 19 65.585 3.461 -12.079
2 HA ASP 19 HB1 ASP 19 65.659 1.118 -12.179
3 HB3 ASP 19 HG3 ASP 19 66.431 0.244 -14.387
4 HB2 ASP 19 HG2 ASP 19 67.078 1.835 -14.773
No H/Q in entry = 4
Start of MODEL 22
1 H ILE 20 H ILE 20 67.777 2.517 -10.758
2 HB ILE 20 HG12 ILE 20 69.853 3.227 -9.509
3 HG12 ILE 20 HG13 ILE 20 71.060 2.961 -12.285
4 HG13 ILE 20 HG21 ILE 20 69.482 3.659 -11.951
5 HG21 ILE 20 HG22 ILE 20 72.210 1.548 -10.413
6 HG22 ILE 20 HG23 ILE 20 72.401 3.191 -9.796
7 HD11 ILE 20 HD12 ILE 20 70.702 5.256 -10.349
8 HD12 ILE 20 HD13 ILE 20 72.188 4.714 -11.129
9 HG23 ILE 20 HXT ILE 20 71.723 1.935 -8.761
10 HD13 ILE 20 HXT ILE 20 70.941 5.525 -12.075
11 HA ILE 20 HB1 ILE 20 70.148 0.736 -11.227
No H/Q in entry = 11
Start of MODEL 22
1 H ARG 21 H ARG 21 70.900 -0.581 -9.502
2 HB2 ARG 21 HG2 ARG 21 69.498 -2.810 -8.908
3 HB3 ARG 21 HG3 ARG 21 71.148 -2.782 -8.288
4 HG2 ARG 21 HD2 ARG 21 70.277 -3.243 -6.007
5 HG3 ARG 21 HD3 ARG 21 68.644 -3.340 -6.668
6 HD2 ARG 21 HD3 ARG 21 69.406 -5.199 -8.169
7 HE ARG 21 HH12 ARG 21 69.206 -5.312 -5.252
8 HH11 ARG 21 HH21 ARG 21 69.688 -7.209 -8.154
9 HH12 ARG 21 HH22 ARG 21 69.097 -8.659 -7.421
10 HD3 ARG 21 HXT ARG 21 70.984 -5.155 -7.360
11 HH21 ARG 21 HXT ARG 21 68.452 -7.210 -4.348
12 HH22 ARG 21 H1 ARG 21 68.406 -8.663 -5.292
13 HA ARG 21 HB1 ARG 21 68.939 -0.961 -7.273
No H/Q in entry = 13
Start of MODEL 22
1 H TYR 22 H TYR 22 69.560 -0.048 -5.393
2 HD1 TYR 22 HD2 TYR 22 73.499 2.870 -4.225
3 HD2 TYR 22 HE1 TYR 22 69.609 2.504 -6.081
4 HE1 TYR 22 HE2 TYR 22 74.157 4.557 -5.940
5 HE2 TYR 22 HH TYR 22 70.270 4.194 -7.803
6 HH TYR 22 HXT TYR 22 72.550 6.292 -7.540
7 HA TYR 22 HB1 TYR 22 72.462 0.008 -4.641
8 HB3 TYR 22 HG3 TYR 22 71.620 1.798 -3.062
9 HB2 TYR 22 HG2 TYR 22 70.050 1.645 -3.818
No H/Q in entry = 9
Start of MODEL 22
1 H GLU 23 H GLU 23 72.981 -0.817 -2.534
2 HB2 GLU 23 HG2 GLU 23 73.147 -3.350 -1.859
3 HB3 GLU 23 HG3 GLU 23 72.126 -3.931 -0.542
4 HA GLU 23 HB1 GLU 23 70.721 -1.836 -0.856
5 HG3 GLU 23 HD3 GLU 23 71.322 -3.431 -3.417
6 HG2 GLU 23 HD2 GLU 23 70.150 -3.692 -2.127
No H/Q in entry = 6
Start of MODEL 22
1 H GLY 24 H GLY 24 71.147 -1.621 1.370
2 HA2 GLY 24 HA3 GLY 24 72.916 0.361 2.239
3 HA3 GLY 24 HXT GLY 24 73.817 -1.143 2.411
No H/Q in entry = 3
Start of MODEL 22
1 H ARG 25 H ARG 25 73.647 -0.253 4.746
2 HB2 ARG 25 HG2 ARG 25 73.920 -0.105 7.016
3 HB3 ARG 25 HG3 ARG 25 72.891 -0.993 8.140
4 HG2 ARG 25 HD2 ARG 25 73.385 -3.066 6.708
5 HG3 ARG 25 HD3 ARG 25 74.665 -2.109 5.963
6 HD2 ARG 25 HD3 ARG 25 74.421 -2.568 8.958
7 HE ARG 25 HH12 ARG 25 75.809 -0.606 7.569
8 HH11 ARG 25 HH21 ARG 25 76.769 -3.378 9.478
9 HH12 ARG 25 HH22 ARG 25 78.255 -2.645 9.974
10 HD3 ARG 25 HXT ARG 25 75.497 -3.487 7.890
11 HH21 ARG 25 HXT ARG 25 77.740 0.299 8.236
12 HH22 ARG 25 H1 ARG 25 78.800 -0.588 9.280
13 HA ARG 25 HB1 ARG 25 71.548 -1.781 6.149
No H/Q in entry = 13
Start of MODEL 22
1 H LEU 26 H LEU 26 69.729 -0.881 7.061
2 HD11 LEU 26 HD12 LEU 26 66.017 1.449 6.268
3 HD12 LEU 26 HD13 LEU 26 65.450 2.812 7.233
4 HD13 LEU 26 HD21 LEU 26 67.101 2.796 6.613
5 HD21 LEU 26 HD22 LEU 26 65.944 0.073 9.673
6 HD22 LEU 26 HD23 LEU 26 64.954 1.511 9.421
7 HG LEU 26 HXT LEU 26 67.185 2.209 8.960
8 HD23 LEU 26 HXT LEU 26 65.012 0.253 8.187
9 HA LEU 26 HB1 LEU 26 68.914 1.843 6.706
10 HB3 LEU 26 HG3 LEU 26 68.042 -0.172 8.795
11 HB2 LEU 26 HG2 LEU 26 67.496 -0.177 7.119
No H/Q in entry = 11
Start of MODEL 22
1 H TYR 27 H TYR 27 69.825 3.603 7.760
2 HD1 TYR 27 HD2 TYR 27 73.027 3.845 11.233
3 HD2 TYR 27 HE1 TYR 27 71.893 7.582 9.376
4 HE1 TYR 27 HE2 TYR 27 74.347 5.094 12.944
5 HE2 TYR 27 HH TYR 27 73.212 8.831 11.089
6 HH TYR 27 HXT TYR 27 74.012 8.372 13.499
7 HA TYR 27 HB1 TYR 27 71.054 3.237 10.451
8 HB3 TYR 27 HG3 TYR 27 71.039 5.583 8.537
9 HB2 TYR 27 HG2 TYR 27 72.252 4.315 8.535
No H/Q in entry = 9
Start of MODEL 22
1 H THR 28 H THR 28 68.764 5.428 8.766
2 HG1 THR 28 HG21 THR 28 68.674 8.920 9.458
3 HG21 THR 28 HG22 THR 28 68.586 6.746 12.710
4 HG22 THR 28 HG23 THR 28 70.013 6.863 11.680
5 HG23 THR 28 HXT THR 28 69.334 8.316 12.413
6 HA THR 28 HB1 THR 28 67.175 5.719 11.248
7 HB THR 28 HG12 THR 28 67.432 8.268 10.995
No H/Q in entry = 7
Start of MODEL 22
1 H VAL 29 H VAL 29 65.093 6.733 10.824
2 HB VAL 29 HG12 VAL 29 64.064 4.790 8.516
3 HG11 VAL 29 HG12 VAL 29 62.125 5.853 10.595
4 HG12 VAL 29 HG13 VAL 29 62.338 4.156 10.165
5 HG13 VAL 29 HG21 VAL 29 63.655 5.044 10.933
6 HG21 VAL 29 HG22 VAL 29 61.727 6.580 7.925
7 HG22 VAL 29 HG23 VAL 29 62.550 5.433 6.869
8 HG23 VAL 29 HXT VAL 29 61.453 4.849 8.118
9 HA VAL 29 HB1 VAL 29 64.404 7.194 7.961
No H/Q in entry = 9
Start of MODEL 22
1 H ASP 30 H ASP 30 62.689 8.671 7.693
2 HA ASP 30 HB1 ASP 30 61.416 9.743 10.191
3 HB3 ASP 30 HG3 ASP 30 62.037 11.382 7.737
4 HB2 ASP 30 HG2 ASP 30 63.294 11.068 8.934
No H/Q in entry = 4
Start of MODEL 22
1 HB2 PRO 31 HG2 PRO 31 56.418 8.694 9.853
2 HB3 PRO 31 HG3 PRO 31 56.620 7.166 8.976
3 HG2 PRO 31 HD2 PRO 31 57.658 7.564 11.413
4 HG3 PRO 31 HD3 PRO 31 58.446 6.547 10.197
5 HD2 PRO 31 HD3 PRO 31 59.148 9.291 11.105
6 HD3 PRO 31 HXT PRO 31 60.204 7.964 10.571
7 HA PRO 31 HB1 PRO 31 58.108 8.083 7.493
No H/Q in entry = 7
Start of MODEL 22
1 H GLN 32 H GLN 32 57.858 11.000 9.539
2 HB2 GLN 32 HG2 GLN 32 55.943 12.259 10.537
3 HB3 GLN 32 HG3 GLN 32 57.250 13.369 10.127
4 HE21 GLN 32 HE22 GLN 32 54.829 16.600 10.200
5 HE22 GLN 32 HXT GLN 32 54.759 16.550 11.896
6 HA GLN 32 HB1 GLN 32 55.516 11.984 8.052
7 HG3 GLN 32 HD3 GLN 32 54.343 13.709 9.332
8 HG2 GLN 32 HD2 GLN 32 55.653 14.820 8.933
No H/Q in entry = 8
Start of MODEL 22
1 H GLU 33 H GLU 33 58.995 12.517 8.028
2 HB2 GLU 33 HG2 GLU 33 61.066 13.109 7.248
3 HB3 GLU 33 HG3 GLU 33 61.299 14.480 6.163
4 HA GLU 33 HB1 GLU 33 58.789 14.774 6.138
5 HG3 GLU 33 HD3 GLU 33 59.967 14.559 8.887
6 HG2 GLU 33 HD2 GLU 33 60.090 15.933 7.787
No H/Q in entry = 6
Start of MODEL 22
1 H CYS 34 H CYS 34 58.246 11.500 5.744
2 HG CYS 34 HXT CYS 34 55.800 12.023 2.503
3 HA CYS 34 HB1 CYS 34 58.457 9.970 3.963
4 HB3 CYS 34 HG3 CYS 34 58.327 11.255 1.708
5 HB2 CYS 34 HG2 CYS 34 58.256 12.706 2.708
No H/Q in entry = 5
Start of MODEL 22
1 H THR 35 H THR 35 60.991 10.626 5.196
2 HG1 THR 35 HG21 THR 35 63.279 11.943 6.202
3 HG21 THR 35 HG22 THR 35 61.820 12.815 2.866
4 HG22 THR 35 HG23 THR 35 62.807 14.044 3.656
5 HG23 THR 35 HXT THR 35 63.499 13.042 2.381
6 HA THR 35 HB1 THR 35 62.828 10.483 2.827
7 HB THR 35 HG12 THR 35 64.334 11.997 4.285
No H/Q in entry = 7
Start of MODEL 22
1 H ILE 36 H ILE 36 64.820 9.355 3.272
2 HB ILE 36 HG12 ILE 36 65.374 5.852 4.773
3 HG12 ILE 36 HG13 ILE 36 64.325 7.259 2.300
4 HG13 ILE 36 HG21 ILE 36 66.041 6.942 2.559
5 HG21 ILE 36 HG22 ILE 36 63.093 6.897 5.566
6 HG22 ILE 36 HG23 ILE 36 62.740 6.948 3.839
7 HD11 ILE 36 HD12 ILE 36 63.907 4.791 2.632
8 HD12 ILE 36 HD13 ILE 36 64.865 5.172 1.200
9 HG23 ILE 36 HXT ILE 36 63.093 5.407 4.621
10 HD13 ILE 36 HXT ILE 36 65.655 4.558 2.653
11 HA ILE 36 HB1 ILE 36 65.069 8.043 5.937
No H/Q in entry = 11
Start of MODEL 22
1 H ALA 37 H ALA 37 67.253 7.122 6.258
2 HA ALA 37 HB1 ALA 37 69.307 7.994 4.266
3 HB1 ALA 37 HB2 ALA 37 68.846 9.444 6.457
4 HB2 ALA 37 HB3 ALA 37 70.492 9.172 5.885
5 HB3 ALA 37 HXT ALA 37 69.847 8.200 7.210
No H/Q in entry = 5
Start of MODEL 22
1 H LEU 38 H LEU 38 70.651 6.326 3.784
2 HD11 LEU 38 HD12 LEU 38 69.423 3.734 1.081
3 HD12 LEU 38 HD13 LEU 38 69.445 2.080 1.693
4 HD13 LEU 38 HD21 LEU 38 67.932 2.986 1.651
5 HD21 LEU 38 HD22 LEU 38 69.414 1.804 4.414
6 HD22 LEU 38 HD23 LEU 38 68.518 3.120 5.172
7 HG LEU 38 HXT LEU 38 68.805 4.549 3.338
8 HD23 LEU 38 HXT LEU 38 67.778 2.186 3.873
9 HA LEU 38 HB1 LEU 38 70.620 3.911 5.562
10 HB3 LEU 38 HG3 LEU 38 71.236 2.740 3.443
11 HB2 LEU 38 HG2 LEU 38 71.209 4.290 2.605
No H/Q in entry = 11
Start of MODEL 22
1 H SER 39 H SER 39 72.650 2.935 6.081
2 HG SER 39 HXT SER 39 74.387 2.625 9.010
3 HA SER 39 HB1 SER 39 75.043 4.681 5.563
4 HB3 SER 39 HG3 SER 39 74.164 4.662 7.893
5 HB2 SER 39 HG2 SER 39 75.769 3.943 7.807
No H/Q in entry = 5
Start of MODEL 22
1 H SER 40 H SER 40 77.067 3.513 5.270
2 HG SER 40 HXT SER 40 76.397 -0.940 5.135
3 HA SER 40 HB1 SER 40 78.235 1.953 3.935
4 HB3 SER 40 HG3 SER 40 78.027 1.022 6.313
5 HB2 SER 40 HG2 SER 40 78.395 -0.154 5.058
No H/Q in entry = 5
Start of MODEL 22
1 H VAL 41 H VAL 41 77.026 2.421 1.990
2 HB VAL 41 HG12 VAL 41 73.941 2.160 1.822
3 HG11 VAL 41 HG12 VAL 41 75.731 3.825 1.270
4 HG12 VAL 41 HG13 VAL 41 75.365 3.578 -0.441
5 HG13 VAL 41 HG21 VAL 41 74.143 4.259 0.633
6 HG21 VAL 41 HG22 VAL 41 73.967 1.095 -0.950
7 HG22 VAL 41 HG23 VAL 41 72.654 1.156 0.224
8 HG23 VAL 41 HXT VAL 41 73.059 2.587 -0.720
9 HA VAL 41 HB1 VAL 41 75.268 0.161 1.128
No H/Q in entry = 9
Start of MODEL 22
1 H ARG 42 H ARG 42 75.452 -0.337 -1.117
2 HB2 ARG 42 HG2 ARG 42 78.473 -1.003 -3.353
3 HB3 ARG 42 HG3 ARG 42 78.547 -0.784 -1.607
4 HG2 ARG 42 HD2 ARG 42 76.406 -2.112 -1.430
5 HG3 ARG 42 HD3 ARG 42 76.547 -2.458 -3.154
6 HD2 ARG 42 HD3 ARG 42 78.811 -3.454 -2.724
7 HE ARG 42 HH12 ARG 42 76.320 -4.596 -2.296
8 HH11 ARG 42 HH21 ARG 42 79.469 -5.022 -0.830
9 HH12 ARG 42 HH22 ARG 42 79.164 -6.674 -0.421
10 HD3 ARG 42 HXT ARG 42 78.536 -3.222 -0.987
11 HH21 ARG 42 HXT ARG 42 75.972 -6.733 -1.748
12 HH22 ARG 42 H1 ARG 42 77.207 -7.634 -0.935
13 HA ARG 42 HB1 ARG 42 77.505 1.182 -2.674
No H/Q in entry = 13
Start of MODEL 22
1 H SER 43 H SER 43 77.194 1.058 -4.976
2 HG SER 43 HXT SER 43 77.187 2.600 -6.688
3 HA SER 43 HB1 SER 43 74.488 0.086 -5.822
4 HB3 SER 43 HG3 SER 43 75.167 2.528 -5.998
5 HB2 SER 43 HG2 SER 43 74.661 1.803 -7.520
No H/Q in entry = 5
Start of MODEL 22
1 H PHE 44 H PHE 44 74.364 -1.430 -7.507
2 HD1 PHE 44 HD2 PHE 44 76.225 -5.959 -7.575
3 HD2 PHE 44 HE1 PHE 44 73.266 -3.087 -6.279
4 HE1 PHE 44 HE2 PHE 44 76.037 -7.142 -5.384
5 HE2 PHE 44 HZ PHE 44 73.078 -4.268 -4.090
6 HZ PHE 44 HXT PHE 44 74.463 -6.296 -3.641
7 HA PHE 44 HB1 PHE 44 76.831 -2.985 -7.916
8 HB3 PHE 44 HG3 PHE 44 75.121 -4.446 -9.165
9 HB2 PHE 44 HG2 PHE 44 73.918 -3.285 -8.634
No H/Q in entry = 9
Start of MODEL 22
1 H GLY 45 H GLY 45 74.564 -1.137 -9.990
2 HA2 GLY 45 HA3 GLY 45 76.049 -1.656 -12.428
3 HA3 GLY 45 HXT GLY 45 76.484 -0.111 -11.707
No H/Q in entry = 3
Start of MODEL 22
1 H THR 46 H THR 46 75.548 0.725 -13.770
2 HG1 THR 46 HG21 THR 46 74.908 2.616 -15.741
3 HG21 THR 46 HG22 THR 46 72.992 2.387 -12.226
4 HG22 THR 46 HG23 THR 46 74.497 3.277 -12.458
5 HG23 THR 46 HXT THR 46 72.957 4.023 -12.883
6 HA THR 46 HB1 THR 46 72.543 0.748 -13.762
7 HB THR 46 HG12 THR 46 72.859 2.968 -14.896
No H/Q in entry = 7
Start of MODEL 22
1 H GLU 47 H GLU 47 75.288 -0.360 -15.478
2 HB2 GLU 47 HG2 GLU 47 76.868 -0.747 -17.050
3 HB3 GLU 47 HG3 GLU 47 75.917 -2.222 -17.221
4 HA GLU 47 HB1 GLU 47 74.959 0.506 -18.113
5 HG3 GLU 47 HD3 GLU 47 76.842 -0.406 -19.465
6 HG2 GLU 47 HD2 GLU 47 75.767 -1.788 -19.680
No H/Q in entry = 6
Start of MODEL 22
1 H ASP 48 H ASP 48 73.069 -1.943 -16.446
2 HA ASP 48 HB1 ASP 48 72.163 -3.295 -18.878
3 HB3 ASP 48 HG3 ASP 48 70.611 -4.387 -17.215
4 HB2 ASP 48 HG2 ASP 48 71.251 -3.298 -15.984
No H/Q in entry = 4
Start of MODEL 22
1 H ARG 49 H ARG 49 70.434 -1.281 -16.451
2 HB2 ARG 49 HG2 ARG 49 68.594 -0.329 -15.428
3 HB3 ARG 49 HG3 ARG 49 67.084 -0.038 -16.291
4 HG2 ARG 49 HD2 ARG 49 66.989 -2.448 -16.896
5 HG3 ARG 49 HD3 ARG 49 68.455 -2.722 -15.955
6 HD2 ARG 49 HD3 ARG 49 67.262 -1.829 -13.929
7 HE ARG 49 HH12 ARG 49 67.095 -4.353 -15.063
8 HH11 ARG 49 HH21 ARG 49 64.880 -2.389 -13.194
9 HH12 ARG 49 HH22 ARG 49 64.077 -3.763 -12.519
10 HD3 ARG 49 HXT ARG 49 65.778 -1.752 -14.898
11 HH21 ARG 49 HXT ARG 49 66.028 -6.097 -14.163
12 HH22 ARG 49 H1 ARG 49 64.719 -5.839 -13.059
13 HA ARG 49 HB1 ARG 49 68.183 -0.967 -18.361
No H/Q in entry = 13
Start of MODEL 22
1 H ASP 50 H ASP 50 70.962 0.684 -18.175
2 HA ASP 50 HB1 ASP 50 69.860 3.406 -17.767
3 HB3 ASP 50 HG3 ASP 50 71.986 2.671 -16.710
4 HB2 ASP 50 HG2 ASP 50 72.218 4.055 -17.767
No H/Q in entry = 4
Start of MODEL 22
1 H THR 51 H THR 51 70.783 5.100 -19.356
2 HG1 THR 51 HG21 THR 51 69.635 7.043 -19.779
3 HG21 THR 51 HG22 THR 51 69.480 6.336 -23.347
4 HG22 THR 51 HG23 THR 51 69.791 7.975 -22.774
5 HG23 THR 51 HXT THR 51 71.116 6.992 -23.399
6 HA THR 51 HB1 THR 51 69.938 4.447 -22.079
7 HB THR 51 HG12 THR 51 71.317 6.928 -21.021
No H/Q in entry = 7
Start of MODEL 22
1 H GLN 52 H GLN 52 71.409 5.014 -23.952
2 HB2 GLN 52 HG2 GLN 52 73.986 3.846 -26.139
3 HB3 GLN 52 HG3 GLN 52 72.401 3.245 -25.662
4 HE21 GLN 52 HE22 GLN 52 70.786 6.076 -28.052
5 HE22 GLN 52 HXT GLN 52 71.680 5.700 -29.445
6 HA GLN 52 HB1 GLN 52 73.824 3.392 -23.686
7 HG3 GLN 52 HD3 GLN 52 72.925 6.209 -25.821
8 HG2 GLN 52 HD2 GLN 52 71.389 5.353 -25.938
No H/Q in entry = 8
Start of MODEL 22
1 H PHE 53 H PHE 53 73.437 6.513 -22.739
2 HD1 PHE 53 HD2 PHE 53 73.911 7.775 -25.046
3 HD2 PHE 53 HE1 PHE 53 74.797 11.409 -22.862
4 HE1 PHE 53 HE2 PHE 53 73.386 9.129 -27.075
5 HE2 PHE 53 HZ PHE 53 74.273 12.755 -24.897
6 HZ PHE 53 HXT PHE 53 73.568 11.616 -27.002
7 HA PHE 53 HB1 PHE 53 76.069 7.469 -23.703
8 HB3 PHE 53 HG3 PHE 53 75.343 9.284 -21.920
9 HB2 PHE 53 HG2 PHE 53 73.786 8.489 -22.048
No H/Q in entry = 9
Start of MODEL 22
1 H GLN 54 H GLN 54 77.899 7.639 -22.325
2 HB2 GLN 54 HG2 GLN 54 79.892 7.866 -21.107
3 HB3 GLN 54 HG3 GLN 54 80.473 6.476 -20.189
4 HE21 GLN 54 HE22 GLN 54 81.201 7.746 -23.958
5 HE22 GLN 54 HXT GLN 54 82.852 7.416 -23.743
6 HA GLN 54 HB1 GLN 54 78.226 5.391 -20.558
7 HG3 GLN 54 HD3 GLN 54 79.524 6.452 -23.069
8 HG2 GLN 54 HD2 GLN 54 79.991 5.018 -22.153
No H/Q in entry = 8
Start of MODEL 22
1 H ILE 55 H ILE 55 78.164 5.256 -18.332
2 HB ILE 55 HG12 ILE 55 76.684 4.929 -16.298
3 HG12 ILE 55 HG13 ILE 55 75.074 7.391 -17.043
4 HG13 ILE 55 HG21 ILE 55 75.640 6.219 -18.234
5 HG21 ILE 55 HG22 ILE 55 77.077 6.327 -14.232
6 HG22 ILE 55 HG23 ILE 55 75.912 7.490 -14.864
7 HD11 ILE 55 HD12 ILE 55 73.911 5.540 -15.837
8 HD12 ILE 55 HD13 ILE 55 73.309 5.759 -17.479
9 HG23 ILE 55 HXT ILE 55 75.396 5.851 -14.465
10 HD13 ILE 55 HXT ILE 55 74.411 4.431 -17.114
11 HA ILE 55 HB1 ILE 55 77.657 7.777 -16.778
No H/Q in entry = 11
Start of MODEL 22
1 H ALA 56 H ALA 56 78.917 8.059 -14.917
2 HA ALA 56 HB1 ALA 56 81.449 6.705 -14.727
3 HB1 ALA 56 HB2 ALA 56 79.860 8.574 -12.963
4 HB2 ALA 56 HB3 ALA 56 81.272 8.945 -13.953
5 HB3 ALA 56 HXT ALA 56 81.453 7.988 -12.482
No H/Q in entry = 5
Start of MODEL 22
1 HB2 PRO 57 HG2 PRO 57 82.445 2.181 -12.450
2 HB3 PRO 57 HG3 PRO 57 81.038 1.420 -13.212
3 HG2 PRO 57 HD2 PRO 57 83.041 2.518 -14.630
4 HG3 PRO 57 HD3 PRO 57 81.365 2.488 -15.197
5 HD2 PRO 57 HD3 PRO 57 82.931 4.747 -14.054
6 HD3 PRO 57 HXT PRO 57 81.690 4.753 -15.327
7 HA PRO 57 HB1 PRO 57 79.648 3.127 -12.585
No H/Q in entry = 7
Start of MODEL 22
1 H GLN 58 H GLN 58 79.491 2.695 -10.374
2 HB2 GLN 58 HG2 GLN 58 78.485 3.144 -8.299
3 HB3 GLN 58 HG3 GLN 58 79.343 3.945 -6.984
4 HE21 GLN 58 HE22 GLN 58 76.429 5.294 -9.607
5 HE22 GLN 58 HXT GLN 58 75.544 5.877 -8.281
6 HA GLN 58 HB1 GLN 58 81.296 4.255 -8.563
7 HG3 GLN 58 HD3 GLN 58 78.698 5.175 -9.680
8 HG2 GLN 58 HD2 GLN 58 79.580 5.974 -8.378
No H/Q in entry = 8
Start of MODEL 22
1 H SER 59 H SER 59 82.947 2.874 -7.939
2 HG SER 59 HXT SER 59 85.584 -0.589 -7.099
3 HA SER 59 HB1 SER 59 82.282 0.050 -7.227
4 HB3 SER 59 HG3 SER 59 84.991 1.381 -7.478
5 HB2 SER 59 HG2 SER 59 84.120 0.747 -8.871
No H/Q in entry = 5
Start of MODEL 22
1 H GLN 60 H GLN 60 83.657 3.048 -5.930
2 HB2 GLN 60 HG2 GLN 60 83.532 4.755 -4.298
3 HB3 GLN 60 HG3 GLN 60 84.378 4.484 -2.775
4 HE21 GLN 60 HE22 GLN 60 87.978 5.313 -4.320
5 HE22 GLN 60 HXT GLN 60 87.608 6.965 -4.435
6 HA GLN 60 HB1 GLN 60 84.604 2.056 -3.415
7 HG3 GLN 60 HD3 GLN 60 85.514 3.912 -5.528
8 HG2 GLN 60 HD2 GLN 60 86.356 3.682 -3.996
No H/Q in entry = 8
Start of MODEL 22
1 H ILE 61 H ILE 61 83.588 2.269 -1.295
2 HB ILE 61 HG12 ILE 61 82.720 1.536 0.854
3 HG12 ILE 61 HG13 ILE 61 83.211 0.017 -1.024
4 HG13 ILE 61 HG21 ILE 61 82.621 -0.894 0.363
5 HG21 ILE 61 HG22 ILE 61 79.831 0.665 0.620
6 HG22 ILE 61 HG23 ILE 61 80.938 -0.012 1.814
7 HD11 ILE 61 HD12 ILE 61 80.346 -0.920 -0.653
8 HD12 ILE 61 HD13 ILE 61 80.988 -0.077 -2.064
9 HG23 ILE 61 HXT ILE 61 80.552 1.708 1.847
10 HD13 ILE 61 HXT ILE 61 81.541 -1.707 -1.682
11 HA ILE 61 HB1 ILE 61 80.646 1.811 -1.353
No H/Q in entry = 11
Start of MODEL 22
1 H TYR 62 H TYR 62 79.213 3.276 -0.426
2 HD1 TYR 62 HD2 TYR 62 79.609 7.868 -1.290
3 HD2 TYR 62 HE1 TYR 62 77.806 4.138 -2.528
4 HE1 TYR 62 HE2 TYR 62 80.183 8.378 -3.665
5 HE2 TYR 62 HH TYR 62 78.380 4.648 -4.902
6 HH TYR 62 HXT TYR 62 79.344 7.723 -5.948
7 HA TYR 62 HB1 TYR 62 80.327 5.903 0.423
8 HB3 TYR 62 HG3 TYR 62 77.910 6.548 0.148
9 HB2 TYR 62 HG2 TYR 62 77.573 4.885 -0.298
No H/Q in entry = 9
Start of MODEL 22
1 H ASP 63 H ASP 63 80.649 6.133 2.597
2 HA ASP 63 HB1 ASP 63 79.716 4.599 4.744
3 HB3 ASP 63 HG3 ASP 63 80.136 6.714 6.053
4 HB2 ASP 63 HG2 ASP 63 80.308 7.561 4.515
No H/Q in entry = 4
Start of MODEL 22
1 H TYR 64 H TYR 64 78.079 7.367 3.190
2 HD1 TYR 64 HD2 TYR 64 74.231 9.856 4.064
3 HD2 TYR 64 HE1 TYR 64 75.555 8.230 7.848
4 HE1 TYR 64 HE2 TYR 64 72.119 10.626 5.134
5 HE2 TYR 64 HH TYR 64 73.439 9.006 8.915
6 HH TYR 64 HXT TYR 64 71.590 11.203 7.969
7 HA TYR 64 HB1 TYR 64 75.526 6.662 4.529
8 HB3 TYR 64 HG3 TYR 64 76.828 9.381 4.798
9 HB2 TYR 64 HG2 TYR 64 76.973 8.131 6.016
No H/Q in entry = 9
Start of MODEL 22
1 H ILE 65 H ILE 65 73.936 6.932 3.016
2 HB ILE 65 HG12 ILE 65 73.085 6.462 0.599
3 HG12 ILE 65 HG13 ILE 65 75.490 7.930 -0.546
4 HG13 ILE 65 HG21 ILE 65 75.572 6.649 0.663
5 HG21 ILE 65 HG22 ILE 65 73.238 8.925 -1.176
6 HG22 ILE 65 HG23 ILE 65 72.864 7.303 -1.763
7 HD11 ILE 65 HD12 ILE 65 74.160 5.302 -1.129
8 HD12 ILE 65 HD13 ILE 65 74.869 6.467 -2.248
9 HG23 ILE 65 HXT ILE 65 71.772 8.108 -0.635
10 HD13 ILE 65 HXT ILE 65 75.913 5.423 -1.286
11 HA ILE 65 HB1 ILE 65 74.166 9.257 1.126
No H/Q in entry = 11
Start of MODEL 22
1 H LEU 66 H LEU 66 72.500 10.661 1.417
2 HD11 LEU 66 HD12 LEU 66 69.375 10.849 4.519
3 HD12 LEU 66 HD13 LEU 66 69.468 12.475 5.192
4 HD13 LEU 66 HD21 LEU 66 67.921 11.838 4.637
5 HD21 LEU 66 HD22 LEU 66 70.129 14.266 3.703
6 HD22 LEU 66 HD23 LEU 66 69.360 14.346 2.117
7 HG LEU 66 HXT LEU 66 68.467 12.097 2.384
8 HD23 LEU 66 HXT LEU 66 68.371 14.304 3.576
9 HA LEU 66 HB1 LEU 66 70.074 9.847 2.907
10 HB3 LEU 66 HG3 LEU 66 70.914 12.505 1.699
11 HB2 LEU 66 HG2 LEU 66 71.337 11.973 3.326
No H/Q in entry = 11
Start of MODEL 22
1 H PHE 67 H PHE 67 68.053 9.612 1.942
2 HD1 PHE 67 HD2 PHE 67 68.186 9.102 -2.804
3 HD2 PHE 67 HE1 PHE 67 69.307 6.062 0.057
4 HE1 PHE 67 HE2 PHE 67 69.995 8.330 -4.328
5 HE2 PHE 67 HZ PHE 67 71.130 5.300 -1.467
6 HZ PHE 67 HXT PHE 67 71.475 6.435 -3.663
7 HA PHE 67 HB1 PHE 67 67.833 10.108 -1.001
8 HB3 PHE 67 HG3 PHE 67 66.565 7.768 -0.778
9 HB2 PHE 67 HG2 PHE 67 67.634 7.594 0.599
No H/Q in entry = 9
Start of MODEL 22
1 H ARG 68 H ARG 68 65.916 11.107 -1.486
2 HB2 ARG 68 HG2 ARG 68 64.184 12.438 -2.233
3 HB3 ARG 68 HG3 ARG 68 62.775 12.776 -1.231
4 HG2 ARG 68 HD2 ARG 68 64.277 13.594 0.571
5 HG3 ARG 68 HD3 ARG 68 65.664 13.314 -0.481
6 HD2 ARG 68 HD3 ARG 68 65.064 15.662 -0.668
7 HE ARG 68 HH12 ARG 68 62.483 14.806 -0.123
8 HH11 ARG 68 HH21 ARG 68 63.910 16.724 -2.680
9 HH12 ARG 68 HH22 ARG 68 62.460 17.626 -2.947
10 HD3 ARG 68 HXT ARG 68 64.560 14.867 -2.172
11 HH21 ARG 68 HXT ARG 68 60.632 15.999 -0.504
12 HH22 ARG 68 H1 ARG 68 60.624 17.221 -1.730
13 HA ARG 68 HB1 ARG 68 63.738 11.233 0.516
No H/Q in entry = 13
Start of MODEL 22
1 H GLY 69 H GLY 69 61.648 10.345 0.146
2 HA2 GLY 69 HA3 GLY 69 60.069 8.826 -0.692
3 HA3 GLY 69 HXT GLY 69 61.444 7.887 -1.266
No H/Q in entry = 3
Start of MODEL 22
1 H SER 70 H SER 70 61.028 11.175 -2.384
2 HG SER 70 HXT SER 70 61.845 13.259 -3.316
3 HA SER 70 HB1 SER 70 59.343 10.655 -4.663
4 HB3 SER 70 HG3 SER 70 59.796 12.860 -3.556
5 HB2 SER 70 HG2 SER 70 60.021 12.908 -5.303
No H/Q in entry = 5
Start of MODEL 22
1 H ASP 71 H ASP 71 62.882 10.631 -4.228
2 HA ASP 71 HB1 ASP 71 63.371 10.376 -7.116
3 HB3 ASP 71 HG3 ASP 71 64.867 11.651 -5.629
4 HB2 ASP 71 HG2 ASP 71 65.737 10.323 -6.389
No H/Q in entry = 4
Start of MODEL 22
1 H ILE 72 H ILE 72 63.327 8.220 -4.298
2 HB ILE 72 HG12 ILE 72 64.203 6.495 -3.166
3 HG12 ILE 72 HG13 ILE 72 66.169 5.064 -4.926
4 HG13 ILE 72 HG21 ILE 72 65.942 6.798 -5.144
5 HG21 ILE 72 HG22 ILE 72 64.319 3.729 -4.418
6 HG22 ILE 72 HG23 ILE 72 64.778 4.127 -2.763
7 HD11 ILE 72 HD12 ILE 72 66.556 5.500 -2.482
8 HD12 ILE 72 HD13 ILE 72 67.776 6.219 -3.536
9 HG23 ILE 72 HXT ILE 72 63.097 4.278 -3.272
10 HD13 ILE 72 HXT ILE 72 66.508 7.226 -2.833
11 HA ILE 72 HB1 ILE 72 63.925 5.911 -6.107
No H/Q in entry = 11
Start of MODEL 22
1 H LYS 73 H LYS 73 62.389 4.310 -6.425
2 HB2 LYS 73 HG2 LYS 73 60.456 5.283 -8.031
3 HB3 LYS 73 HG3 LYS 73 60.557 3.522 -8.009
4 HG2 LYS 73 HG3 LYS 73 58.149 3.403 -7.433
5 HG3 LYS 73 HD2 LYS 73 58.056 5.162 -7.512
6 HD2 LYS 73 HD3 LYS 73 58.862 5.037 -9.887
7 HE2 LYS 73 HE3 LYS 73 56.653 3.870 -10.703
8 HE3 LYS 73 HZ1 LYS 73 56.281 3.779 -8.970
9 HZ1 LYS 73 HZ2 LYS 73 56.788 6.146 -8.785
10 HZ2 LYS 73 HZ3 LYS 73 57.072 6.228 -10.459
11 HD3 LYS 73 HXT LYS 73 58.745 3.279 -9.785
12 HZ3 LYS 73 HXT LYS 73 55.517 5.880 -9.879
13 HA LYS 73 HB1 LYS 73 59.634 5.169 -5.643
No H/Q in entry = 13
Start of MODEL 22
1 H ASP 74 H ASP 74 61.876 2.554 -5.170
2 HA ASP 74 HB1 ASP 74 59.638 0.937 -4.041
3 HB3 ASP 74 HG3 ASP 74 61.645 -0.172 -6.027
4 HB2 ASP 74 HG2 ASP 74 60.018 0.341 -6.470
No H/Q in entry = 4
Start of MODEL 22
1 H ILE 75 H ILE 75 60.222 0.119 -2.113
2 HB ILE 75 HG12 ILE 75 62.555 1.728 -0.753
3 HG12 ILE 75 HG13 ILE 75 62.723 -0.179 1.591
4 HG13 ILE 75 HG21 ILE 75 64.081 0.102 0.502
5 HG21 ILE 75 HG22 ILE 75 60.125 1.383 -0.419
6 HG22 ILE 75 HG23 ILE 75 60.471 0.310 0.937
7 HD11 ILE 75 HD12 ILE 75 63.618 2.630 0.980
8 HD12 ILE 75 HD13 ILE 75 62.749 2.027 2.391
9 HG23 ILE 75 HXT ILE 75 60.895 2.020 1.035
10 HD13 ILE 75 HXT ILE 75 64.467 1.676 2.196
11 HA ILE 75 HB1 ILE 75 63.093 -0.542 -1.600
No H/Q in entry = 11
Start of MODEL 22
1 H ARG 76 H ARG 76 63.336 -2.454 -0.434
2 HB2 ARG 76 HG2 ARG 76 62.351 -4.747 -1.305
3 HB3 ARG 76 HG3 ARG 76 61.577 -5.773 -0.096
4 HG2 ARG 76 HD2 ARG 76 59.553 -4.143 -0.367
5 HG3 ARG 76 HD3 ARG 76 60.331 -3.701 -1.888
6 HD2 ARG 76 HD3 ARG 76 59.706 -6.570 -1.108
7 HE ARG 76 HH12 ARG 76 61.247 -6.688 -2.908
8 HH11 ARG 76 HH21 ARG 76 58.910 -4.146 -3.491
9 HH12 ARG 76 HH22 ARG 76 59.453 -3.884 -5.110
10 HD3 ARG 76 HXT ARG 76 58.652 -5.576 -2.133
11 HH21 ARG 76 HXT ARG 76 61.917 -6.306 -5.006
12 HH22 ARG 76 H1 ARG 76 61.138 -5.089 -5.959
13 HA ARG 76 HB1 ARG 76 61.033 -3.526 1.117
No H/Q in entry = 13
Start of MODEL 22
1 H VAL 77 H VAL 77 61.728 -4.550 2.964
2 HB VAL 77 HG12 VAL 77 63.031 -3.808 5.127
3 HG11 VAL 77 HG12 VAL 77 61.800 -6.564 4.954
4 HG12 VAL 77 HG13 VAL 77 61.571 -5.531 6.363
5 HG13 VAL 77 HG21 VAL 77 61.008 -4.999 4.781
6 HG21 VAL 77 HG22 VAL 77 65.151 -5.229 5.725
7 HG22 VAL 77 HG23 VAL 77 64.020 -4.789 7.005
8 HG23 VAL 77 HXT VAL 77 63.975 -6.408 6.307
9 HA VAL 77 HB1 VAL 77 64.626 -4.751 3.483
No H/Q in entry = 9
Start of MODEL 22
1 H VAL 78 H VAL 78 65.719 -6.730 3.917
2 HB VAL 78 HG12 VAL 78 67.297 -8.531 3.621
3 HG11 VAL 78 HG12 VAL 78 66.046 -10.831 2.118
4 HG12 VAL 78 HG13 VAL 78 67.758 -10.447 1.943
5 HG13 VAL 78 HG21 VAL 78 67.109 -10.889 3.523
6 HG21 VAL 78 HG22 VAL 78 66.474 -7.073 1.761
7 HG22 VAL 78 HG23 VAL 78 67.782 -8.142 1.257
8 HG23 VAL 78 HXT VAL 78 66.115 -8.524 0.824
9 HA VAL 78 HB1 VAL 78 64.461 -9.130 2.692
No H/Q in entry = 9
Start of MODEL 22
1 H ASN 79 H ASN 79 63.778 -10.836 3.938
2 HD21 ASN 79 HD22 ASN 79 63.871 -10.159 8.821
3 HD22 ASN 79 HXT ASN 79 63.109 -11.221 9.903
4 HA ASN 79 HB1 ASN 79 64.829 -11.151 6.713
5 HB3 ASN 79 HG3 ASN 79 61.886 -11.134 5.977
6 HB2 ASN 79 HG2 ASN 79 62.732 -9.733 6.635
No H/Q in entry = 6
Start of MODEL 22
1 H ASN 80 H ASN 80 65.730 -13.185 6.440
2 HD21 ASN 80 HD22 ASN 80 64.800 -15.511 3.095
3 HD22 ASN 80 HXT ASN 80 65.687 -14.533 2.029
4 HA ASN 80 HB1 ASN 80 64.149 -15.290 5.026
5 HB3 ASN 80 HG3 ASN 80 66.388 -16.466 5.115
6 HB2 ASN 80 HG2 ASN 80 67.046 -15.025 5.890
No H/Q in entry = 6
Start of MODEL 22
1 H HIS 81 H HIS 81 62.777 -16.247 6.513
2 HD1 HIS 81 HD2 HIS 81 61.316 -16.518 11.025
3 HD2 HIS 81 HE1 HIS 81 60.424 -20.084 9.058
4 HE1 HIS 81 HE2 HIS 81 60.301 -18.059 12.760
5 HA HIS 81 HB1 HIS 81 63.317 -16.501 9.339
6 HB3 HIS 81 HG3 HIS 81 61.449 -18.051 7.525
7 HB2 HIS 81 HG2 HIS 81 61.089 -16.482 8.220
No H/Q in entry = 7
Start of MODEL 22
1 H THR 82 H THR 82 63.454 -18.869 6.655
2 HG1 THR 82 HG21 THR 82 63.652 -23.442 8.104
3 HG21 THR 82 HG22 THR 82 62.203 -20.516 6.479
4 HG22 THR 82 HG23 THR 82 62.972 -21.901 5.702
5 HG23 THR 82 HXT THR 82 61.733 -22.155 6.931
6 HA THR 82 HB1 THR 82 65.433 -20.455 8.226
7 HB THR 82 HG12 THR 82 63.177 -21.352 8.673
No H/Q in entry = 7
Start of MODEL 22
1 H LEU 83 H LEU 83 66.644 -21.982 6.839
2 HD11 LEU 83 HD12 LEU 83 68.655 -20.147 3.239
3 HD12 LEU 83 HD13 LEU 83 70.275 -20.128 3.937
4 HD13 LEU 83 HD21 LEU 83 70.027 -20.735 2.299
5 HD21 LEU 83 HD22 LEU 83 71.200 -22.150 4.976
6 HD22 LEU 83 HD23 LEU 83 70.578 -23.730 4.499
7 HG LEU 83 HXT LEU 83 68.869 -22.679 3.105
8 HD23 LEU 83 HXT LEU 83 71.361 -22.694 3.306
9 HA LEU 83 HB1 LEU 83 66.961 -20.943 4.071
10 HB3 LEU 83 HG3 LEU 83 68.623 -22.917 5.668
11 HB2 LEU 83 HG2 LEU 83 68.857 -21.170 5.720
No H/Q in entry = 11
Start of MODEL 22
1 HB2 PRO 84 HG2 PRO 84 65.804 -24.499 -0.082
2 HB3 PRO 84 HG3 PRO 84 64.504 -23.436 0.489
3 HG2 PRO 84 HD2 PRO 84 67.388 -22.851 0.090
4 HG3 PRO 84 HD3 PRO 84 65.976 -21.823 -0.195
5 HD2 PRO 84 HD3 PRO 84 67.598 -21.565 1.971
6 HD3 PRO 84 HXT PRO 84 65.875 -21.129 1.982
7 HA PRO 84 HB1 PRO 84 64.818 -24.524 2.495
No H/Q in entry = 7
Start of MODEL 23
1 H1 GLY -3 H1 GLY -3 39.167 1.372 16.682
2 H2 GLY -3 H2 GLY -3 40.060 -0.003 16.240
3 H3 GLY -3 H3 GLY -3 38.687 -0.160 17.228
4 HA2 GLY -3 HA3 GLY -3 40.843 -0.330 18.438
5 HA3 GLY -3 HXT GLY -3 39.739 0.905 19.046
No H/Q in entry = 5
Start of MODEL 23
1 H ALA -2 H ALA -2 40.778 2.781 19.473
2 HA ALA -2 HB1 ALA -2 42.391 4.188 17.538
3 HB1 ALA -2 HB2 ALA -2 42.345 4.625 20.532
4 HB2 ALA -2 HB3 ALA -2 42.541 5.833 19.262
5 HB3 ALA -2 HXT ALA -2 40.977 5.056 19.507
No H/Q in entry = 5
Start of MODEL 23
1 H MET -1 H MET -1 43.171 2.102 20.297
2 HB2 MET -1 HG2 MET -1 45.007 2.718 22.106
3 HB3 MET -1 HG3 MET -1 44.618 0.999 22.014
4 HE1 MET -1 HE2 MET -1 45.381 -0.587 23.057
5 HE2 MET -1 HE3 MET -1 46.623 -1.194 24.149
6 HE3 MET -1 HXT MET -1 45.163 -0.460 24.808
7 HA MET -1 HB1 MET -1 46.092 2.509 19.833
8 HG3 MET -1 HD3 MET -1 47.394 2.221 21.936
9 HG2 MET -1 HD2 MET -1 47.047 0.505 21.718
No H/Q in entry = 9
Start of MODEL 23
1 H ALA 0 H ALA 0 46.950 1.085 18.367
2 HA ALA 0 HB1 ALA 0 45.836 -1.694 18.219
3 HB1 ALA 0 HB2 ALA 0 47.023 -1.614 15.969
4 HB2 ALA 0 HB3 ALA 0 45.702 -0.460 16.151
5 HB3 ALA 0 HXT ALA 0 47.373 0.083 16.301
No H/Q in entry = 5
Start of MODEL 23
1 H MET 1 H MET 1 47.205 -3.427 18.622
2 HB2 MET 1 HG2 MET 1 48.055 -4.973 20.201
3 HB3 MET 1 HG3 MET 1 49.729 -4.933 20.754
4 HE1 MET 1 HE2 MET 1 46.379 -4.798 21.593
5 HE2 MET 1 HE3 MET 1 47.133 -6.267 22.204
6 HE3 MET 1 HXT MET 1 46.044 -5.348 23.239
7 HA MET 1 HB1 MET 1 50.017 -2.785 19.447
8 HG3 MET 1 HD3 MET 1 47.607 -2.832 21.278
9 HG2 MET 1 HD2 MET 1 49.305 -2.665 21.725
No H/Q in entry = 9
Start of MODEL 23
1 H SER 2 H SER 2 49.033 -3.378 16.645
2 HG SER 2 HXT SER 2 46.990 -5.677 15.137
3 HA SER 2 HB1 SER 2 50.342 -6.017 16.131
4 HB3 SER 2 HG3 SER 2 49.165 -5.713 13.905
5 HB2 SER 2 HG2 SER 2 48.456 -4.241 14.562
No H/Q in entry = 5
Start of MODEL 23
1 H GLY 3 H GLY 3 51.808 -3.428 16.651
2 HA2 GLY 3 HA3 GLY 3 52.848 -1.896 14.755
3 HA3 GLY 3 HXT GLY 3 53.441 -3.449 14.168
No H/Q in entry = 3
Start of MODEL 23
1 H GLY 4 H GLY 4 55.583 -2.332 14.570
2 HA2 GLY 4 HA3 GLY 4 57.121 -3.364 16.558
3 HA3 GLY 4 HXT GLY 4 56.378 -1.991 17.382
No H/Q in entry = 3
Start of MODEL 23
1 H LEU 5 H LEU 5 58.984 -1.714 17.291
2 HD11 LEU 5 HD12 LEU 5 61.016 -0.174 19.609
3 HD12 LEU 5 HD13 LEU 5 61.567 1.487 19.391
4 HD13 LEU 5 HD21 LEU 5 60.007 1.168 20.149
5 HD21 LEU 5 HD22 LEU 5 59.896 2.318 16.431
6 HD22 LEU 5 HD23 LEU 5 59.212 2.867 17.962
7 HG LEU 5 HXT LEU 5 59.012 0.526 18.111
8 HD23 LEU 5 HXT LEU 5 60.962 2.797 17.753
9 HA LEU 5 HB1 LEU 5 59.446 0.523 15.455
10 HB3 LEU 5 HG3 LEU 5 61.665 0.523 16.685
11 HB2 LEU 5 HG2 LEU 5 61.109 -0.912 17.548
No H/Q in entry = 11
Start of MODEL 23
1 HB2 PRO 6 HG2 PRO 6 63.254 0.072 11.339
2 HB3 PRO 6 HG3 PRO 6 61.525 0.110 10.946
3 HG2 PRO 6 HD2 PRO 6 63.047 1.692 12.946
4 HG3 PRO 6 HD3 PRO 6 61.689 2.173 11.918
5 HD2 PRO 6 HD3 PRO 6 61.432 1.590 14.564
6 HD3 PRO 6 HXT PRO 6 60.126 1.368 13.381
7 HA PRO 6 HB1 PRO 6 61.433 -1.789 12.250
No H/Q in entry = 7
Start of MODEL 23
1 H GLU 7 H GLU 7 63.104 -3.267 12.280
2 HB2 GLU 7 HG2 GLU 7 64.618 -4.765 11.780
3 HB3 GLU 7 HG3 GLU 7 66.020 -5.143 12.781
4 HA GLU 7 HB1 GLU 7 64.991 -3.401 14.441
5 HG3 GLU 7 HD3 GLU 7 64.236 -5.412 14.692
6 HG2 GLU 7 HD2 GLU 7 64.472 -6.720 13.533
No H/Q in entry = 6
Start of MODEL 23
1 H LEU 8 H LEU 8 66.659 -1.957 14.671
2 HD11 LEU 8 HD12 LEU 8 68.356 0.133 17.076
3 HD12 LEU 8 HD13 LEU 8 68.765 1.728 16.446
4 HD13 LEU 8 HD21 LEU 8 67.134 1.403 17.033
5 HD21 LEU 8 HD22 LEU 8 68.467 2.145 14.015
6 HD22 LEU 8 HD23 LEU 8 67.016 1.476 13.269
7 HG LEU 8 HXT LEU 8 66.610 0.044 15.168
8 HD23 LEU 8 HXT LEU 8 66.880 2.521 14.683
9 HA LEU 8 HB1 LEU 8 67.777 -0.331 12.587
10 HB3 LEU 8 HG3 LEU 8 69.522 0.099 14.339
11 HB2 LEU 8 HG2 LEU 8 68.821 -1.202 15.299
No H/Q in entry = 11
Start of MODEL 23
1 H GLY 9 H GLY 9 69.670 -0.599 11.351
2 HA2 GLY 9 HA3 GLY 9 71.539 -2.787 11.812
3 HA3 GLY 9 HXT GLY 9 71.601 -1.615 10.517
No H/Q in entry = 3
Start of MODEL 23
1 H SER 10 H SER 10 68.514 -2.852 10.376
2 HG SER 10 HXT SER 10 66.940 -4.045 10.907
3 HA SER 10 HB1 SER 10 68.834 -5.412 9.145
4 HB3 SER 10 HG3 SER 10 66.559 -4.856 8.211
5 HB2 SER 10 HG2 SER 10 66.763 -3.220 8.830
No H/Q in entry = 5
Start of MODEL 23
1 H LYS 11 H LYS 11 69.218 -5.999 6.992
2 HB2 LYS 11 HG2 LYS 11 70.933 -5.927 3.842
3 HB3 LYS 11 HG3 LYS 11 71.278 -6.294 5.528
4 HG2 LYS 11 HG3 LYS 11 69.002 -7.400 5.659
5 HG3 LYS 11 HD2 LYS 11 68.874 -7.191 3.913
6 HD2 LYS 11 HD3 LYS 11 71.128 -8.396 3.753
7 HE2 LYS 11 HE3 LYS 11 68.826 -9.405 3.289
8 HE3 LYS 11 HZ1 LYS 11 70.060 -10.580 3.789
9 HZ1 LYS 11 HZ2 LYS 11 69.320 -10.295 6.089
10 HZ2 LYS 11 HZ3 LYS 11 68.095 -9.240 5.574
11 HD3 LYS 11 HXT LYS 11 70.890 -8.843 5.443
12 HZ3 LYS 11 HXT LYS 11 68.063 -10.873 5.105
13 HA LYS 11 HB1 LYS 11 70.388 -3.979 5.212
No H/Q in entry = 13
Start of MODEL 23
1 H ILE 12 H ILE 12 69.265 -2.868 3.673
2 HB ILE 12 HG12 ILE 12 67.481 -1.088 3.295
3 HG12 ILE 12 HG13 ILE 12 65.403 -2.769 4.732
4 HG13 ILE 12 HG21 ILE 12 67.057 -2.566 5.312
5 HG21 ILE 12 HG22 ILE 12 65.850 -1.320 1.420
6 HG22 ILE 12 HG23 ILE 12 64.765 -2.193 2.501
7 HD11 ILE 12 HD12 ILE 12 66.632 -0.042 5.181
8 HD12 ILE 12 HD13 ILE 12 64.926 -0.446 4.990
9 HG23 ILE 12 HXT ILE 12 65.148 -0.500 2.815
10 HD13 ILE 12 HXT ILE 12 65.784 -0.912 6.459
11 HA ILE 12 HB1 ILE 12 66.612 -3.956 2.776
No H/Q in entry = 11
Start of MODEL 23
1 H SER 13 H SER 13 66.186 -3.828 0.576
2 HG SER 13 HXT SER 13 66.852 -5.011 -3.658
3 HA SER 13 HB1 SER 13 68.405 -2.942 -1.213
4 HB3 SER 13 HG3 SER 13 65.917 -4.610 -1.728
5 HB2 SER 13 HG2 SER 13 67.499 -5.273 -1.327
No H/Q in entry = 5
Start of MODEL 23
1 H LEU 14 H LEU 14 68.018 -1.307 -2.739
2 HD11 LEU 14 HD12 LEU 14 65.440 1.800 -0.107
3 HD12 LEU 14 HD13 LEU 14 64.673 3.226 -0.804
4 HD13 LEU 14 HD21 LEU 14 64.437 1.645 -1.549
5 HD21 LEU 14 HD22 LEU 14 67.873 3.195 -0.530
6 HD22 LEU 14 HD23 LEU 14 67.838 4.072 -2.059
7 HG LEU 14 HXT LEU 14 66.057 2.804 -2.897
8 HD23 LEU 14 HXT LEU 14 66.593 4.366 -0.846
9 HA LEU 14 HB1 LEU 14 65.405 0.145 -2.515
10 HB3 LEU 14 HG3 LEU 14 68.138 1.439 -2.475
11 HB2 LEU 14 HG2 LEU 14 67.385 0.854 -0.993
No H/Q in entry = 11
Start of MODEL 23
1 H ILE 15 H ILE 15 64.627 0.533 -4.564
2 HB ILE 15 HG12 ILE 15 63.534 0.122 -6.716
3 HG12 ILE 15 HG13 ILE 15 65.683 -1.948 -7.259
4 HG13 ILE 15 HG21 ILE 15 65.008 -1.672 -5.653
5 HG21 ILE 15 HG22 ILE 15 64.444 1.015 -8.900
6 HG22 ILE 15 HG23 ILE 15 65.433 -0.441 -9.014
7 HD11 ILE 15 HD12 ILE 15 62.708 -2.031 -6.701
8 HD12 ILE 15 HD13 ILE 15 63.556 -2.614 -8.134
9 HG23 ILE 15 HXT ILE 15 63.674 -0.567 -9.033
10 HD13 ILE 15 HXT ILE 15 63.735 -3.462 -6.597
11 HA ILE 15 HB1 ILE 15 66.551 0.513 -6.861
No H/Q in entry = 11
Start of MODEL 23
1 H SER 16 H SER 16 67.065 2.527 -7.588
2 HG SER 16 HXT SER 16 68.608 5.425 -6.031
3 HA SER 16 HB1 SER 16 65.351 4.856 -6.945
4 HB3 SER 16 HG3 SER 16 67.361 6.086 -7.736
5 HB2 SER 16 HG2 SER 16 68.093 4.552 -8.195
No H/Q in entry = 5
Start of MODEL 23
1 H LYS 17 H LYS 17 64.862 6.459 -8.645
2 HB2 LYS 17 HG2 LYS 17 63.142 7.718 -11.474
3 HB3 LYS 17 HG3 LYS 17 63.035 7.599 -9.720
4 HG2 LYS 17 HG3 LYS 17 65.483 8.134 -9.585
5 HG3 LYS 17 HD2 LYS 17 65.486 8.378 -11.332
6 HD2 LYS 17 HD3 LYS 17 63.631 10.081 -10.984
7 HE2 LYS 17 HE3 LYS 17 66.129 10.864 -9.468
8 HE3 LYS 17 HZ1 LYS 17 66.176 10.555 -11.215
9 HZ1 LYS 17 HZ2 LYS 17 64.277 12.394 -9.853
10 HZ2 LYS 17 HZ3 LYS 17 65.654 12.886 -10.719
11 HD3 LYS 17 HXT LYS 17 63.952 9.955 -9.253
12 HZ3 LYS 17 HXT LYS 17 64.376 12.116 -11.526
13 HA LYS 17 HB1 LYS 17 63.295 5.373 -10.712
No H/Q in entry = 13
Start of MODEL 23
1 H ALA 18 H ALA 18 66.730 5.730 -10.789
2 HA ALA 18 HB1 ALA 18 66.888 5.973 -13.728
3 HB1 ALA 18 HB2 ALA 18 69.394 5.729 -13.064
4 HB2 ALA 18 HB3 ALA 18 68.542 7.176 -12.522
5 HB3 ALA 18 HXT ALA 18 68.814 5.839 -11.400
No H/Q in entry = 5
Start of MODEL 23
1 H ASP 19 H ASP 19 65.747 3.509 -12.206
2 HA ASP 19 HB1 ASP 19 65.890 1.165 -12.238
3 HB3 ASP 19 HG3 ASP 19 66.780 0.261 -14.391
4 HB2 ASP 19 HG2 ASP 19 67.406 1.859 -14.781
No H/Q in entry = 4
Start of MODEL 23
1 H ILE 20 H ILE 20 67.951 2.696 -10.806
2 HB ILE 20 HG12 ILE 20 69.896 3.454 -9.448
3 HG12 ILE 20 HG13 ILE 20 71.309 3.179 -12.123
4 HG13 ILE 20 HG21 ILE 20 69.685 3.825 -11.923
5 HG21 ILE 20 HG22 ILE 20 72.401 1.927 -10.230
6 HG22 ILE 20 HG23 ILE 20 72.410 3.510 -9.453
7 HD11 ILE 20 HD12 ILE 20 70.691 5.511 -10.292
8 HD12 ILE 20 HD13 ILE 20 72.271 4.981 -10.867
9 HG23 ILE 20 HXT ILE 20 71.745 2.117 -8.604
10 HD13 ILE 20 HXT ILE 20 71.131 5.727 -11.986
11 HA ILE 20 HB1 ILE 20 70.365 0.950 -11.111
No H/Q in entry = 11
Start of MODEL 23
1 H ARG 21 H ARG 21 70.957 -0.445 -9.423
2 HB2 ARG 21 HG2 ARG 21 69.473 -2.616 -8.836
3 HB3 ARG 21 HG3 ARG 21 71.117 -2.643 -8.197
4 HG2 ARG 21 HD2 ARG 21 70.192 -3.052 -5.920
5 HG3 ARG 21 HD3 ARG 21 68.573 -3.122 -6.617
6 HD2 ARG 21 HD3 ARG 21 70.857 -4.938 -7.470
7 HE ARG 21 HH12 ARG 21 68.149 -4.434 -8.463
8 HH11 ARG 21 HH21 ARG 21 70.662 -6.848 -8.127
9 HH12 ARG 21 HH22 ARG 21 70.089 -7.773 -9.471
10 HD3 ARG 21 HXT ARG 21 69.592 -5.401 -6.314
11 HH21 ARG 21 HXT ARG 21 67.446 -5.663 -10.192
12 HH22 ARG 21 H1 ARG 21 68.289 -7.112 -10.627
13 HA ARG 21 HB1 ARG 21 68.963 -0.742 -7.212
No H/Q in entry = 13
Start of MODEL 23
1 H TYR 22 H TYR 22 69.604 0.165 -5.326
2 HD1 TYR 22 HD2 TYR 22 73.665 2.906 -4.207
3 HD2 TYR 22 HE1 TYR 22 69.727 2.703 -5.984
4 HE1 TYR 22 HE2 TYR 22 74.365 4.550 -5.949
5 HE2 TYR 22 HH TYR 22 70.428 4.349 -7.733
6 HH TYR 22 HXT TYR 22 73.451 5.027 -8.510
7 HA TYR 22 HB1 TYR 22 72.504 0.094 -4.563
8 HB3 TYR 22 HG3 TYR 22 71.764 1.928 -3.000
9 HB2 TYR 22 HG2 TYR 22 70.174 1.838 -3.725
No H/Q in entry = 9
Start of MODEL 23
1 H GLU 23 H GLU 23 72.990 -0.778 -2.482
2 HB2 GLU 23 HG2 GLU 23 71.603 -3.525 -2.337
3 HB3 GLU 23 HG3 GLU 23 73.158 -3.348 -1.524
4 HA GLU 23 HB1 GLU 23 70.690 -1.731 -0.815
5 HG3 GLU 23 HD3 GLU 23 70.537 -4.169 -0.241
6 HG2 GLU 23 HD2 GLU 23 72.028 -3.861 0.649
No H/Q in entry = 6
Start of MODEL 23
1 H GLY 24 H GLY 24 71.112 -1.535 1.415
2 HA2 GLY 24 HA3 GLY 24 72.923 0.397 2.302
3 HA3 GLY 24 HXT GLY 24 73.799 -1.124 2.455
No H/Q in entry = 3
Start of MODEL 23
1 H ARG 25 H ARG 25 73.664 -0.264 4.793
2 HB2 ARG 25 HG2 ARG 25 73.956 -0.132 7.063
3 HB3 ARG 25 HG3 ARG 25 72.926 -1.023 8.184
4 HG2 ARG 25 HD2 ARG 25 73.404 -3.113 6.909
5 HG3 ARG 25 HD3 ARG 25 74.511 -2.201 5.882
6 HD2 ARG 25 HD3 ARG 25 75.791 -1.553 7.968
7 HE ARG 25 HH12 ARG 25 75.931 -3.880 6.467
8 HH11 ARG 25 HH21 ARG 25 76.495 -3.136 9.841
9 HH12 ARG 25 HH22 ARG 25 77.658 -4.401 10.026
10 HD3 ARG 25 HXT ARG 25 74.771 -2.691 8.867
11 HH21 ARG 25 HXT ARG 25 77.440 -5.502 6.755
12 HH22 ARG 25 H1 ARG 25 78.189 -5.726 8.301
13 HA ARG 25 HB1 ARG 25 71.547 -1.762 6.203
No H/Q in entry = 13
Start of MODEL 23
1 H LEU 26 H LEU 26 69.749 -0.828 7.137
2 HD11 LEU 26 HD12 LEU 26 66.117 1.583 6.319
3 HD12 LEU 26 HD13 LEU 26 65.537 2.942 7.281
4 HD13 LEU 26 HD21 LEU 26 67.198 2.927 6.686
5 HD21 LEU 26 HD22 LEU 26 65.231 0.184 8.333
6 HD22 LEU 26 HD23 LEU 26 65.942 0.464 9.923
7 HG LEU 26 HXT LEU 26 67.269 2.326 9.021
8 HD23 LEU 26 HXT LEU 26 64.878 1.675 9.208
9 HA LEU 26 HB1 LEU 26 68.992 1.913 6.774
10 HB3 LEU 26 HG3 LEU 26 68.071 -0.075 8.867
11 HB2 LEU 26 HG2 LEU 26 67.530 -0.074 7.189
No H/Q in entry = 11
Start of MODEL 23
1 H TYR 27 H TYR 27 69.910 3.662 7.833
2 HD1 TYR 27 HD2 TYR 27 73.102 3.857 11.294
3 HD2 TYR 27 HE1 TYR 27 72.119 7.615 9.391
4 HE1 TYR 27 HE2 TYR 27 74.486 5.072 12.979
5 HE2 TYR 27 HH TYR 27 73.502 8.829 11.079
6 HH TYR 27 HXT TYR 27 75.685 7.941 12.660
7 HA TYR 27 HB1 TYR 27 71.177 3.277 10.503
8 HB3 TYR 27 HG3 TYR 27 71.137 5.644 8.615
9 HB2 TYR 27 HG2 TYR 27 72.335 4.366 8.559
No H/Q in entry = 9
Start of MODEL 23
1 H THR 28 H THR 28 68.871 5.489 8.873
2 HG1 THR 28 HG21 THR 28 68.480 8.655 9.264
3 HG21 THR 28 HG22 THR 28 68.810 6.671 12.758
4 HG22 THR 28 HG23 THR 28 70.203 7.036 11.740
5 HG23 THR 28 HXT THR 28 69.371 8.335 12.597
6 HA THR 28 HB1 THR 28 67.312 5.746 11.380
7 HB THR 28 HG12 THR 28 67.542 8.297 11.145
No H/Q in entry = 7
Start of MODEL 23
1 H VAL 29 H VAL 29 65.224 6.796 10.988
2 HB VAL 29 HG12 VAL 29 64.162 4.783 8.758
3 HG11 VAL 29 HG12 VAL 29 63.739 5.340 11.216
4 HG12 VAL 29 HG13 VAL 29 62.090 5.745 10.740
5 HG13 VAL 29 HG21 VAL 29 62.696 4.104 10.514
6 HG21 VAL 29 HG22 VAL 29 61.813 6.545 8.143
7 HG22 VAL 29 HG23 VAL 29 62.612 5.351 7.122
8 HG23 VAL 29 HXT VAL 29 61.537 4.825 8.416
9 HA VAL 29 HB1 VAL 29 64.477 7.169 8.127
No H/Q in entry = 9
Start of MODEL 23
1 H ASP 30 H ASP 30 62.749 8.626 7.842
2 HA ASP 30 HB1 ASP 30 61.486 9.744 10.323
3 HB3 ASP 30 HG3 ASP 30 62.093 11.329 7.829
4 HB2 ASP 30 HG2 ASP 30 63.342 11.067 9.047
No H/Q in entry = 4
Start of MODEL 23
1 HB2 PRO 31 HG2 PRO 31 56.179 8.341 9.584
2 HB3 PRO 31 HG3 PRO 31 57.231 6.920 9.455
3 HG2 PRO 31 HD2 PRO 31 57.397 9.232 11.307
4 HG3 PRO 31 HD3 PRO 31 57.772 7.526 11.590
5 HD2 PRO 31 HD3 PRO 31 59.684 9.401 11.231
6 HD3 PRO 31 HXT PRO 31 59.890 7.709 10.725
7 HA PRO 31 HB1 PRO 31 58.191 8.019 7.688
No H/Q in entry = 7
Start of MODEL 23
1 H GLN 32 H GLN 32 57.899 10.998 9.629
2 HB2 GLN 32 HG2 GLN 32 57.302 13.157 10.257
3 HB3 GLN 32 HG3 GLN 32 55.832 13.907 9.631
4 HE21 GLN 32 HE22 GLN 32 53.483 12.241 12.416
5 HE22 GLN 32 HXT GLN 32 54.115 13.248 13.628
6 HA GLN 32 HB1 GLN 32 55.552 11.909 8.106
7 HG3 GLN 32 HD3 GLN 32 55.976 11.179 10.951
8 HG2 GLN 32 HD2 GLN 32 54.513 11.961 10.352
No H/Q in entry = 8
Start of MODEL 23
1 H GLU 33 H GLU 33 59.027 12.446 8.044
2 HB2 GLU 33 HG2 GLU 33 61.093 13.008 7.230
3 HB3 GLU 33 HG3 GLU 33 61.321 14.338 6.095
4 HA GLU 33 HB1 GLU 33 58.811 14.632 6.074
5 HG3 GLU 33 HD3 GLU 33 60.004 14.518 8.822
6 HG2 GLU 33 HD2 GLU 33 60.124 15.850 7.671
No H/Q in entry = 6
Start of MODEL 23
1 H CYS 34 H CYS 34 58.268 11.343 5.807
2 HG CYS 34 HXT CYS 34 56.233 10.464 3.786
3 HA CYS 34 HB1 CYS 34 58.476 9.746 4.084
4 HB3 CYS 34 HG3 CYS 34 58.337 10.949 1.781
5 HB2 CYS 34 HG2 CYS 34 58.254 12.433 2.731
No H/Q in entry = 5
Start of MODEL 23
1 H THR 35 H THR 35 61.014 10.461 5.279
2 HG1 THR 35 HG21 THR 35 63.609 12.287 6.134
3 HG21 THR 35 HG22 THR 35 61.958 12.385 2.610
4 HG22 THR 35 HG23 THR 35 62.205 13.692 3.770
5 HG23 THR 35 HXT THR 35 63.489 13.259 2.643
6 HA THR 35 HB1 THR 35 62.843 10.255 2.910
7 HB THR 35 HG12 THR 35 64.318 11.883 4.217
No H/Q in entry = 7
Start of MODEL 23
1 H ILE 36 H ILE 36 64.833 9.156 3.379
2 HB ILE 36 HG12 ILE 36 65.504 5.772 5.081
3 HG12 ILE 36 HG13 ILE 36 64.391 6.999 2.541
4 HG13 ILE 36 HG21 ILE 36 66.117 6.745 2.796
5 HG21 ILE 36 HG22 ILE 36 63.202 6.812 5.834
6 HG22 ILE 36 HG23 ILE 36 62.832 6.737 4.112
7 HD11 ILE 36 HD12 ILE 36 64.062 4.537 3.054
8 HD12 ILE 36 HD13 ILE 36 64.943 4.869 1.563
9 HG23 ILE 36 HXT ILE 36 63.235 5.263 4.991
10 HD13 ILE 36 HXT ILE 36 65.818 4.368 3.011
11 HA ILE 36 HB1 ILE 36 65.158 8.020 6.116
No H/Q in entry = 11
Start of MODEL 23
1 H ALA 37 H ALA 37 67.369 7.166 6.453
2 HA ALA 37 HB1 ALA 37 69.376 8.052 4.413
3 HB1 ALA 37 HB2 ALA 37 68.909 9.474 6.623
4 HB2 ALA 37 HB3 ALA 37 70.551 9.251 6.019
5 HB3 ALA 37 HXT ALA 37 69.958 8.254 7.348
No H/Q in entry = 5
Start of MODEL 23
1 H LEU 38 H LEU 38 70.762 6.423 3.913
2 HD11 LEU 38 HD12 LEU 38 69.744 3.683 1.182
3 HD12 LEU 38 HD13 LEU 38 69.286 2.114 1.844
4 HD13 LEU 38 HD21 LEU 38 68.068 3.372 1.632
5 HD21 LEU 38 HD22 LEU 38 69.529 1.905 4.485
6 HD22 LEU 38 HD23 LEU 38 68.631 3.214 5.253
7 HG LEU 38 HXT LEU 38 68.917 4.656 3.430
8 HD23 LEU 38 HXT LEU 38 67.893 2.285 3.948
9 HA LEU 38 HB1 LEU 38 70.750 3.974 5.641
10 HB3 LEU 38 HG3 LEU 38 71.348 2.845 3.496
11 HB2 LEU 38 HG2 LEU 38 71.314 4.409 2.686
No H/Q in entry = 11
Start of MODEL 23
1 H SER 39 H SER 39 72.792 2.973 6.088
2 HG SER 39 HXT SER 39 75.189 2.101 8.142
3 HA SER 39 HB1 SER 39 75.195 4.682 5.500
4 HB3 SER 39 HG3 SER 39 74.339 4.760 7.854
5 HB2 SER 39 HG2 SER 39 75.955 4.065 7.755
No H/Q in entry = 5
Start of MODEL 23
1 H SER 40 H SER 40 77.214 3.425 5.314
2 HG SER 40 HXT SER 40 76.645 -1.205 5.872
3 HA SER 40 HB1 SER 40 78.335 1.799 4.017
4 HB3 SER 40 HG3 SER 40 78.060 0.913 6.400
5 HB2 SER 40 HG2 SER 40 78.382 -0.299 5.168
No H/Q in entry = 5
Start of MODEL 23
1 H VAL 41 H VAL 41 77.185 2.279 2.040
2 HB VAL 41 HG12 VAL 41 74.092 2.186 1.847
3 HG11 VAL 41 HG12 VAL 41 75.987 3.735 1.280
4 HG12 VAL 41 HG13 VAL 41 75.603 3.492 -0.428
5 HG13 VAL 41 HG21 VAL 41 74.426 4.255 0.642
6 HG21 VAL 41 HG22 VAL 41 74.095 1.108 -0.927
7 HG22 VAL 41 HG23 VAL 41 72.782 1.204 0.245
8 HG23 VAL 41 HXT VAL 41 73.234 2.628 -0.687
9 HA VAL 41 HB1 VAL 41 75.311 0.106 1.196
No H/Q in entry = 9
Start of MODEL 23
1 H ARG 42 H ARG 42 75.493 -0.453 -1.026
2 HB2 ARG 42 HG2 ARG 42 78.463 -1.349 -3.237
3 HB3 ARG 42 HG3 ARG 42 78.540 -1.115 -1.493
4 HG2 ARG 42 HD2 ARG 42 76.315 -2.288 -1.310
5 HG3 ARG 42 HD3 ARG 42 76.426 -2.654 -3.031
6 HD2 ARG 42 HD3 ARG 42 78.612 -3.810 -2.602
7 HE ARG 42 HH12 ARG 42 75.978 -4.690 -1.675
8 HH11 ARG 42 HH21 ARG 42 79.339 -5.611 -2.013
9 HH12 ARG 42 HH22 ARG 42 78.975 -7.300 -2.042
10 HD3 ARG 42 HXT ARG 42 78.362 -3.550 -0.865
11 HH21 ARG 42 HXT ARG 42 75.558 -6.883 -1.715
12 HH22 ARG 42 H1 ARG 42 76.860 -8.015 -1.875
13 HA ARG 42 HB1 ARG 42 77.647 0.907 -2.594
No H/Q in entry = 13
Start of MODEL 23
1 H SER 43 H SER 43 77.353 0.734 -4.910
2 HG SER 43 HXT SER 43 77.183 2.743 -7.225
3 HA SER 43 HB1 SER 43 74.538 0.097 -5.712
4 HB3 SER 43 HG3 SER 43 75.497 2.429 -5.931
5 HB2 SER 43 HG2 SER 43 74.915 1.751 -7.448
No H/Q in entry = 5
Start of MODEL 23
1 H PHE 44 H PHE 44 74.183 -1.382 -7.382
2 HD1 PHE 44 HD2 PHE 44 75.674 -5.804 -7.210
3 HD2 PHE 44 HE1 PHE 44 72.443 -3.025 -6.479
4 HE1 PHE 44 HE2 PHE 44 75.261 -6.868 -4.990
5 HE2 PHE 44 HZ PHE 44 72.031 -4.089 -4.259
6 HZ PHE 44 HXT PHE 44 73.440 -6.011 -3.514
7 HA PHE 44 HB1 PHE 44 76.392 -3.250 -7.906
8 HB3 PHE 44 HG3 PHE 44 74.498 -4.477 -9.073
9 HB2 PHE 44 HG2 PHE 44 73.457 -3.140 -8.618
No H/Q in entry = 9
Start of MODEL 23
1 H GLY 45 H GLY 45 74.374 -1.010 -9.827
2 HA2 GLY 45 HA3 GLY 45 75.555 -1.763 -12.362
3 HA3 GLY 45 HXT GLY 45 76.307 -0.317 -11.693
No H/Q in entry = 3
Start of MODEL 23
1 H THR 46 H THR 46 75.324 0.531 -13.796
2 HG1 THR 46 HG21 THR 46 75.365 2.854 -15.384
3 HG21 THR 46 HG22 THR 46 73.516 2.837 -11.975
4 HG22 THR 46 HG23 THR 46 74.620 4.098 -12.525
5 HG23 THR 46 HXT THR 46 72.892 4.238 -12.847
6 HA THR 46 HB1 THR 46 72.480 1.390 -13.349
7 HB THR 46 HG12 THR 46 73.369 3.347 -14.866
No H/Q in entry = 7
Start of MODEL 23
1 H GLU 47 H GLU 47 74.036 -0.826 -15.116
2 HB2 GLU 47 HG2 GLU 47 74.878 -2.265 -16.623
3 HB3 GLU 47 HG3 GLU 47 73.215 -2.851 -16.621
4 HA GLU 47 HB1 GLU 47 74.059 -0.207 -17.823
5 HG3 GLU 47 HD3 GLU 47 74.893 -2.200 -19.061
6 HG2 GLU 47 HD2 GLU 47 73.185 -2.639 -19.115
No H/Q in entry = 6
Start of MODEL 23
1 H ASP 48 H ASP 48 71.200 -0.832 -15.875
2 HA ASP 48 HB1 ASP 48 69.323 -1.696 -17.801
3 HB3 ASP 48 HG3 ASP 48 67.687 -0.534 -16.267
4 HB2 ASP 48 HG2 ASP 48 69.067 0.180 -15.431
No H/Q in entry = 4
Start of MODEL 23
1 H ARG 49 H ARG 49 70.239 1.685 -17.003
2 HB2 ARG 49 HG2 ARG 49 70.144 3.924 -16.977
3 HB3 ARG 49 HG3 ARG 49 69.399 4.907 -18.239
4 HG2 ARG 49 HD2 ARG 49 67.208 3.789 -17.721
5 HG3 ARG 49 HD3 ARG 49 67.992 2.998 -16.354
6 HD2 ARG 49 HD3 ARG 49 66.897 5.004 -15.519
7 HE ARG 49 HH12 ARG 49 67.355 6.035 -18.043
8 HH11 ARG 49 HH21 ARG 49 68.161 7.140 -14.820
9 HH12 ARG 49 HH22 ARG 49 68.123 8.805 -15.277
10 HD3 ARG 49 HXT ARG 49 68.644 5.312 -15.520
11 HH21 ARG 49 HXT ARG 49 67.316 8.201 -18.584
12 HH22 ARG 49 H1 ARG 49 67.650 9.402 -17.382
13 HA ARG 49 HB1 ARG 49 68.576 2.694 -19.251
No H/Q in entry = 13
Start of MODEL 23
1 H ASP 50 H ASP 50 71.947 3.173 -18.120
2 HA ASP 50 HB1 ASP 50 72.850 4.347 -20.592
3 HB3 ASP 50 HG3 ASP 50 73.899 4.703 -18.377
4 HB2 ASP 50 HG2 ASP 50 75.073 4.119 -19.552
No H/Q in entry = 4
Start of MODEL 23
1 H THR 51 H THR 51 74.917 3.210 -21.664
2 HG1 THR 51 HG21 THR 51 77.037 2.380 -22.662
3 HG21 THR 51 HG22 THR 51 73.692 2.160 -24.922
4 HG22 THR 51 HG23 THR 51 74.364 3.698 -24.378
5 HG23 THR 51 HXT THR 51 75.127 2.823 -25.704
6 HA THR 51 HB1 THR 51 73.696 0.985 -23.117
7 HB THR 51 HG12 THR 51 76.038 1.211 -24.295
No H/Q in entry = 7
Start of MODEL 23
1 H GLN 52 H GLN 52 74.961 -1.001 -23.603
2 HB2 GLN 52 HG2 GLN 52 76.090 -4.259 -22.671
3 HB3 GLN 52 HG3 GLN 52 74.495 -3.516 -22.763
4 HE21 GLN 52 HE22 GLN 52 74.811 -3.854 -26.792
5 HE22 GLN 52 HXT GLN 52 75.248 -5.493 -26.835
6 HA GLN 52 HB1 GLN 52 75.807 -2.296 -21.125
7 HG3 GLN 52 HD3 GLN 52 76.679 -2.648 -24.647
8 HG2 GLN 52 HD2 GLN 52 74.932 -2.570 -24.867
No H/Q in entry = 8
Start of MODEL 23
1 H PHE 53 H PHE 53 77.531 -0.297 -23.195
2 HD1 PHE 53 HD2 PHE 53 78.446 -1.793 -25.011
3 HD2 PHE 53 HE1 PHE 53 80.838 1.679 -26.021
4 HE1 PHE 53 HE2 PHE 53 78.181 -2.306 -27.438
5 HE2 PHE 53 HZ PHE 53 80.569 1.154 -28.444
6 HZ PHE 53 HXT PHE 53 79.241 -0.836 -29.152
7 HA PHE 53 HB1 PHE 53 80.042 -1.751 -23.337
8 HB3 PHE 53 HG3 PHE 53 80.843 0.692 -23.716
9 HB2 PHE 53 HG2 PHE 53 79.145 1.111 -23.620
No H/Q in entry = 9
Start of MODEL 23
1 H GLN 54 H GLN 54 82.030 -0.950 -22.125
2 HB2 GLN 54 HG2 GLN 54 83.547 -2.106 -20.752
3 HB3 GLN 54 HG3 GLN 54 84.037 -0.417 -20.623
4 HE21 GLN 54 HE22 GLN 54 86.175 -1.015 -17.274
5 HE22 GLN 54 HXT GLN 54 87.400 -1.797 -18.152
6 HA GLN 54 HB1 GLN 54 81.519 -1.532 -19.352
7 HG3 GLN 54 HD3 GLN 54 83.579 -2.303 -18.291
8 HG2 GLN 54 HD2 GLN 54 84.060 -0.611 -18.160
No H/Q in entry = 8
Start of MODEL 23
1 H ILE 55 H ILE 55 81.047 -0.155 -17.706
2 HB ILE 55 HG12 ILE 55 79.627 1.366 -16.318
3 HG12 ILE 55 HG13 ILE 55 79.303 3.206 -18.708
4 HG13 ILE 55 HG21 ILE 55 79.315 1.449 -18.852
5 HG21 ILE 55 HG22 ILE 55 80.657 3.550 -15.425
6 HG22 ILE 55 HG23 ILE 55 79.954 4.330 -16.841
7 HD11 ILE 55 HD12 ILE 55 77.482 2.743 -16.859
8 HD12 ILE 55 HD13 ILE 55 77.029 2.718 -18.562
9 HG23 ILE 55 HXT ILE 55 78.910 3.543 -15.658
10 HD13 ILE 55 HXT ILE 55 77.305 1.204 -17.702
11 HA ILE 55 HB1 ILE 55 81.791 2.743 -17.971
No H/Q in entry = 11
Start of MODEL 23
1 H ALA 56 H ALA 56 83.108 3.599 -16.358
2 HA ALA 56 HB1 ALA 56 84.801 1.811 -14.889
3 HB1 ALA 56 HB2 ALA 56 84.288 4.781 -14.541
4 HB2 ALA 56 HB3 ALA 56 85.404 4.072 -15.709
5 HB3 ALA 56 HXT ALA 56 85.716 3.912 -13.979
No H/Q in entry = 5
Start of MODEL 23
1 HB2 PRO 57 HG2 PRO 57 82.974 -0.711 -10.271
2 HB3 PRO 57 HG3 PRO 57 81.929 -0.809 -11.701
3 HG2 PRO 57 HD2 PRO 57 84.882 -1.008 -11.499
4 HG3 PRO 57 HD3 PRO 57 83.762 -1.848 -12.581
5 HD2 PRO 57 HD3 PRO 57 85.322 0.331 -13.278
6 HD3 PRO 57 HXT PRO 57 83.871 -0.210 -14.145
7 HA PRO 57 HB1 PRO 57 81.882 1.497 -11.425
No H/Q in entry = 7
Start of MODEL 23
1 H GLN 58 H GLN 58 82.113 2.065 -9.193
2 HB2 GLN 58 HG2 GLN 58 82.000 3.570 -7.433
3 HB3 GLN 58 HG3 GLN 58 83.435 4.265 -6.678
4 HE21 GLN 58 HE22 GLN 58 83.431 7.528 -8.990
5 HE22 GLN 58 HXT GLN 58 82.079 8.159 -8.180
6 HA GLN 58 HB1 GLN 58 84.826 3.025 -8.394
7 HG3 GLN 58 HD3 GLN 58 82.641 4.606 -9.586
8 HG2 GLN 58 HD2 GLN 58 84.070 5.303 -8.824
No H/Q in entry = 8
Start of MODEL 23
1 H SER 59 H SER 59 85.949 1.551 -7.189
2 HG SER 59 HXT SER 59 86.755 -1.445 -7.212
3 HA SER 59 HB1 SER 59 84.780 -0.721 -5.859
4 HB3 SER 59 HG3 SER 59 87.066 -1.025 -5.020
5 HB2 SER 59 HG2 SER 59 87.460 0.641 -5.436
No H/Q in entry = 5
Start of MODEL 23
1 H GLN 60 H GLN 60 85.622 2.536 -4.768
2 HB2 GLN 60 HG2 GLN 60 84.898 4.506 -3.673
3 HB3 GLN 60 HG3 GLN 60 85.122 4.590 -1.926
4 HE21 GLN 60 HE22 GLN 60 89.037 5.382 -2.200
5 HE22 GLN 60 HXT GLN 60 88.736 6.950 -2.775
6 HA GLN 60 HB1 GLN 60 85.569 2.108 -1.940
7 HG3 GLN 60 HD3 GLN 60 87.193 3.595 -3.907
8 HG2 GLN 60 HD2 GLN 60 87.412 3.723 -2.161
No H/Q in entry = 8
Start of MODEL 23
1 H ILE 61 H ILE 61 83.877 2.147 -0.445
2 HB ILE 61 HG12 ILE 61 82.296 1.429 1.243
3 HG12 ILE 61 HG13 ILE 61 83.313 -0.101 -0.379
4 HG13 ILE 61 HG21 ILE 61 82.188 -0.991 0.642
5 HG21 ILE 61 HG22 ILE 61 79.593 0.886 0.026
6 HG22 ILE 61 HG23 ILE 61 80.184 -0.076 1.382
7 HD11 ILE 61 HD12 ILE 61 80.494 -0.334 -1.342
8 HD12 ILE 61 HD13 ILE 61 81.999 -0.324 -2.261
9 HG23 ILE 61 HXT ILE 61 79.978 1.667 1.559
10 HD13 ILE 61 HXT ILE 61 81.495 -1.783 -1.408
11 HA ILE 61 HB1 ILE 61 81.115 1.878 -1.523
No H/Q in entry = 11
Start of MODEL 23
1 H TYR 62 H TYR 62 79.357 3.093 -0.434
2 HD1 TYR 62 HD2 TYR 62 79.369 7.444 -1.786
3 HD2 TYR 62 HE1 TYR 62 77.613 3.535 -2.364
4 HE1 TYR 62 HE2 TYR 62 79.774 7.625 -4.242
5 HE2 TYR 62 HH TYR 62 78.019 3.717 -4.820
6 HH TYR 62 HXT TYR 62 78.423 6.283 -6.438
7 HA TYR 62 HB1 TYR 62 80.204 5.864 0.228
8 HB3 TYR 62 HG3 TYR 62 77.780 6.294 -0.073
9 HB2 TYR 62 HG2 TYR 62 77.508 4.571 -0.253
No H/Q in entry = 9
Start of MODEL 23
1 H ASP 63 H ASP 63 80.650 6.159 2.382
2 HA ASP 63 HB1 ASP 63 79.830 4.710 4.634
3 HB3 ASP 63 HG3 ASP 63 80.249 6.895 5.823
4 HB2 ASP 63 HG2 ASP 63 80.350 7.666 4.240
No H/Q in entry = 4
Start of MODEL 23
1 H TYR 64 H TYR 64 78.098 7.405 3.044
2 HD1 TYR 64 HD2 TYR 64 74.236 9.857 4.046
3 HD2 TYR 64 HE1 TYR 64 75.746 8.281 7.780
4 HE1 TYR 64 HE2 TYR 64 72.157 10.601 5.199
5 HE2 TYR 64 HH TYR 64 73.663 9.028 8.930
6 HH TYR 64 HXT TYR 64 71.475 11.200 7.566
7 HA TYR 64 HB1 TYR 64 75.593 6.699 4.469
8 HB3 TYR 64 HG3 TYR 64 76.867 9.437 4.672
9 HB2 TYR 64 HG2 TYR 64 77.087 8.197 5.889
No H/Q in entry = 9
Start of MODEL 23
1 H ILE 65 H ILE 65 73.971 6.924 2.984
2 HB ILE 65 HG12 ILE 65 73.060 6.388 0.610
3 HG12 ILE 65 HG13 ILE 65 75.451 7.821 -0.606
4 HG13 ILE 65 HG21 ILE 65 75.541 6.554 0.614
5 HG21 ILE 65 HG22 ILE 65 73.201 8.773 -1.271
6 HG22 ILE 65 HG23 ILE 65 72.761 7.137 -1.760
7 HD11 ILE 65 HD12 ILE 65 74.098 5.196 -1.143
8 HD12 ILE 65 HD13 ILE 65 74.797 6.344 -2.284
9 HG23 ILE 65 HXT ILE 65 71.731 8.029 -0.639
10 HD13 ILE 65 HXT ILE 65 75.848 5.304 -1.325
11 HA ILE 65 HB1 ILE 65 74.148 9.200 1.024
No H/Q in entry = 11
Start of MODEL 23
1 H LEU 66 H LEU 66 72.395 10.546 1.086
2 HD11 LEU 66 HD12 LEU 66 69.905 11.931 4.598
3 HD12 LEU 66 HD13 LEU 66 68.270 12.592 4.585
4 HD13 LEU 66 HD21 LEU 66 68.551 10.926 4.081
5 HD21 LEU 66 HD22 LEU 66 69.576 14.259 1.655
6 HD22 LEU 66 HD23 LEU 66 68.156 14.294 2.701
7 HG LEU 66 HXT LEU 66 68.354 12.022 2.023
8 HD23 LEU 66 HXT LEU 66 69.773 14.305 3.408
9 HA LEU 66 HB1 LEU 66 70.073 9.870 2.796
10 HB3 LEU 66 HG3 LEU 66 70.724 12.352 1.171
11 HB2 LEU 66 HG2 LEU 66 71.276 12.079 2.823
No H/Q in entry = 11
Start of MODEL 23
1 H PHE 67 H PHE 67 68.032 9.405 1.977
2 HD1 PHE 67 HD2 PHE 67 67.987 8.298 -2.597
3 HD2 PHE 67 HE1 PHE 67 69.021 5.477 0.509
4 HE1 PHE 67 HE2 PHE 67 69.656 7.244 -4.107
5 HE2 PHE 67 HZ PHE 67 70.711 4.433 -1.001
6 HZ PHE 67 HXT PHE 67 71.029 5.317 -3.313
7 HA PHE 67 HB1 PHE 67 67.661 9.475 -0.995
8 HB3 PHE 67 HG3 PHE 67 66.376 7.215 -0.318
9 HB2 PHE 67 HG2 PHE 67 67.550 7.244 0.981
No H/Q in entry = 9
Start of MODEL 23
1 H ARG 68 H ARG 68 65.847 10.659 -1.429
2 HB2 ARG 68 HG2 ARG 68 64.204 12.080 -2.165
3 HB3 ARG 68 HG3 ARG 68 62.757 12.426 -1.217
4 HG2 ARG 68 HD2 ARG 68 64.215 13.150 0.674
5 HG3 ARG 68 HD3 ARG 68 65.625 12.902 -0.356
6 HD2 ARG 68 HD3 ARG 68 64.619 14.536 -2.005
7 HE ARG 68 HH12 ARG 68 64.995 16.037 0.480
8 HH11 ARG 68 HH21 ARG 68 66.565 13.993 -1.887
9 HH12 ARG 68 HH22 ARG 68 68.136 14.625 -1.537
10 HD3 ARG 68 HXT ARG 68 63.371 14.889 -0.793
11 HH21 ARG 68 HXT ARG 68 67.045 16.823 0.900
12 HH22 ARG 68 H1 ARG 68 68.408 16.208 0.023
13 HA ARG 68 HB1 ARG 68 63.637 10.833 0.540
No H/Q in entry = 13
Start of MODEL 23
1 H GLY 69 H GLY 69 61.559 9.955 0.149
2 HA2 GLY 69 HA3 GLY 69 59.975 8.466 -0.730
3 HA3 GLY 69 HXT GLY 69 61.340 7.564 -1.383
No H/Q in entry = 3
Start of MODEL 23
1 H SER 70 H SER 70 60.976 10.899 -2.343
2 HG SER 70 HXT SER 70 59.800 13.638 -2.802
3 HA SER 70 HB1 SER 70 59.090 10.537 -4.494
4 HB3 SER 70 HG3 SER 70 59.795 12.805 -5.090
5 HB2 SER 70 HG2 SER 70 61.237 12.640 -4.094
No H/Q in entry = 5
Start of MODEL 23
1 H ASP 71 H ASP 71 62.677 10.568 -4.431
2 HA ASP 71 HB1 ASP 71 62.795 10.295 -7.365
3 HB3 ASP 71 HG3 ASP 71 64.379 11.713 -6.123
4 HB2 ASP 71 HG2 ASP 71 65.229 10.428 -6.976
No H/Q in entry = 4
Start of MODEL 23
1 H ILE 72 H ILE 72 63.042 8.168 -4.553
2 HB ILE 72 HG12 ILE 72 63.399 6.163 -3.329
3 HG12 ILE 72 HG13 ILE 72 65.887 5.820 -5.038
4 HG13 ILE 72 HG21 ILE 72 65.343 7.351 -4.358
5 HG21 ILE 72 HG22 ILE 72 63.014 3.819 -4.499
6 HG22 ILE 72 HG23 ILE 72 64.768 3.841 -4.673
7 HD11 ILE 72 HD12 ILE 72 65.558 5.162 -2.393
8 HD12 ILE 72 HD13 ILE 72 67.091 5.648 -3.126
9 HG23 ILE 72 HXT ILE 72 64.039 3.920 -3.071
10 HD13 ILE 72 HXT ILE 72 66.097 6.837 -2.283
11 HA ILE 72 HB1 ILE 72 63.783 5.896 -6.326
No H/Q in entry = 11
Start of MODEL 23
1 H LYS 73 H LYS 73 62.392 4.139 -6.695
2 HB2 LYS 73 HG2 LYS 73 60.739 4.648 -8.713
3 HB3 LYS 73 HG3 LYS 73 60.900 2.933 -8.332
4 HG2 LYS 73 HG3 LYS 73 58.429 2.762 -8.143
5 HG3 LYS 73 HD2 LYS 73 58.293 4.462 -8.597
6 HD2 LYS 73 HD3 LYS 73 59.507 3.928 -10.728
7 HE2 LYS 73 HE3 LYS 73 57.075 2.147 -10.467
8 HE3 LYS 73 HZ1 LYS 73 56.934 3.916 -10.411
9 HZ1 LYS 73 HZ2 LYS 73 58.188 4.040 -12.482
10 HZ2 LYS 73 HZ3 LYS 73 58.274 2.347 -12.552
11 HD3 LYS 73 HXT LYS 73 59.439 2.222 -10.286
12 HZ3 LYS 73 HXT LYS 73 56.771 3.126 -12.689
13 HA LYS 73 HB1 LYS 73 59.521 4.929 -6.515
No H/Q in entry = 13
Start of MODEL 23
1 H ASP 74 H ASP 74 61.776 2.435 -5.466
2 HA ASP 74 HB1 ASP 74 59.527 1.072 -4.087
3 HB3 ASP 74 HG3 ASP 74 61.372 -0.417 -5.977
4 HB2 ASP 74 HG2 ASP 74 59.765 0.148 -6.436
No H/Q in entry = 4
Start of MODEL 23
1 H ILE 75 H ILE 75 60.178 0.450 -2.100
2 HB ILE 75 HG12 ILE 75 62.551 1.996 -0.844
3 HG12 ILE 75 HG13 ILE 75 62.725 0.118 1.525
4 HG13 ILE 75 HG21 ILE 75 64.075 0.385 0.423
5 HG21 ILE 75 HG22 ILE 75 60.124 1.702 -0.478
6 HG22 ILE 75 HG23 ILE 75 60.460 0.625 0.877
7 HD11 ILE 75 HD12 ILE 75 63.574 2.931 0.894
8 HD12 ILE 75 HD13 ILE 75 62.793 2.302 2.345
9 HG23 ILE 75 HXT ILE 75 60.914 2.326 0.969
10 HD13 ILE 75 HXT ILE 75 64.505 1.989 2.058
11 HA ILE 75 HB1 ILE 75 63.051 -0.286 -1.669
No H/Q in entry = 11
Start of MODEL 23
1 H ARG 76 H ARG 76 63.321 -2.171 -0.460
2 HB2 ARG 76 HG2 ARG 76 62.466 -4.596 -1.278
3 HB3 ARG 76 HG3 ARG 76 61.378 -5.468 -0.198
4 HG2 ARG 76 HD2 ARG 76 59.591 -3.769 -0.788
5 HG3 ARG 76 HD3 ARG 76 60.683 -3.163 -2.035
6 HD2 ARG 76 HD3 ARG 76 60.792 -5.508 -2.975
7 HE ARG 76 HH12 ARG 76 58.512 -3.671 -3.039
8 HH11 ARG 76 HH21 ARG 76 59.781 -6.691 -4.275
9 HH12 ARG 76 HH22 ARG 76 58.813 -6.623 -5.706
10 HD3 ARG 76 HXT ARG 76 59.504 -5.953 -1.840
11 HH21 ARG 76 HXT ARG 76 57.282 -3.630 -4.902
12 HH22 ARG 76 H1 ARG 76 57.413 -4.912 -6.059
13 HA ARG 76 HB1 ARG 76 61.005 -3.291 1.040
No H/Q in entry = 13
Start of MODEL 23
1 H VAL 77 H VAL 77 61.726 -4.168 2.933
2 HB VAL 77 HG12 VAL 77 63.138 -3.381 5.017
3 HG11 VAL 77 HG12 VAL 77 61.736 -6.059 5.036
4 HG12 VAL 77 HG13 VAL 77 61.614 -4.938 6.388
5 HG13 VAL 77 HG21 VAL 77 61.037 -4.460 4.793
6 HG21 VAL 77 HG22 VAL 77 65.181 -4.643 5.759
7 HG22 VAL 77 HG23 VAL 77 63.939 -4.511 7.005
8 HG23 VAL 77 HXT VAL 77 64.140 -6.022 6.117
9 HA VAL 77 HB1 VAL 77 64.624 -4.512 3.390
No H/Q in entry = 9
Start of MODEL 23
1 H VAL 78 H VAL 78 65.609 -6.528 3.890
2 HB VAL 78 HG12 VAL 78 67.055 -8.452 3.676
3 HG11 VAL 78 HG12 VAL 78 65.678 -10.721 2.209
4 HG12 VAL 78 HG13 VAL 78 67.427 -10.510 2.275
5 HG13 VAL 78 HG21 VAL 78 66.520 -10.817 3.755
6 HG21 VAL 78 HG22 VAL 78 65.637 -8.386 0.994
7 HG22 VAL 78 HG23 VAL 78 66.478 -7.051 1.782
8 HG23 VAL 78 HXT VAL 78 67.390 -8.433 1.173
9 HA VAL 78 HB1 VAL 78 64.153 -8.920 2.888
No H/Q in entry = 9
Start of MODEL 23
1 H ASN 79 H ASN 79 63.477 -10.540 4.265
2 HD21 ASN 79 HD22 ASN 79 61.289 -8.804 5.113
3 HD22 ASN 79 HXT ASN 79 60.136 -9.870 4.469
4 HA ASN 79 HB1 ASN 79 64.524 -10.589 7.063
5 HB3 ASN 79 HG3 ASN 79 62.478 -9.242 7.041
6 HB2 ASN 79 HG2 ASN 79 62.171 -10.768 7.866
No H/Q in entry = 6
Start of MODEL 23
1 H ASN 80 H ASN 80 62.589 -12.287 4.573
2 HD21 ASN 80 HD22 ASN 80 59.396 -13.753 6.708
3 HD22 ASN 80 HXT ASN 80 59.971 -13.785 8.305
4 HA ASN 80 HB1 ASN 80 63.571 -14.884 5.704
5 HB3 ASN 80 HG3 ASN 80 61.242 -15.736 5.219
6 HB2 ASN 80 HG2 ASN 80 60.770 -14.074 4.869
No H/Q in entry = 6
Start of MODEL 23
1 H HIS 81 H HIS 81 64.393 -13.232 3.312
2 HD1 HIS 81 HD2 HIS 81 61.506 -12.064 2.191
3 HD2 HIS 81 HE1 HIS 81 64.696 -11.257 -0.368
4 HE1 HIS 81 HE2 HIS 81 61.793 -9.547 2.176
5 HA HIS 81 HB1 HIS 81 64.253 -15.426 1.328
6 HB3 HIS 81 HG3 HIS 81 62.255 -14.110 0.899
7 HB2 HIS 81 HG2 HIS 81 63.402 -13.868 -0.403
No H/Q in entry = 7
Start of MODEL 23
1 H THR 82 H THR 82 65.866 -15.151 -0.377
2 HG1 THR 82 HG21 THR 82 68.411 -16.319 -1.611
3 HG21 THR 82 HG22 THR 82 67.704 -15.280 1.883
4 HG22 THR 82 HG23 THR 82 69.036 -16.404 1.607
5 HG23 THR 82 HXT THR 82 69.367 -14.693 1.875
6 HA THR 82 HB1 THR 82 67.974 -13.104 0.254
7 HB THR 82 HG12 THR 82 69.565 -14.928 -0.460
No H/Q in entry = 7
Start of MODEL 23
1 H LEU 83 H LEU 83 69.350 -12.579 -1.663
2 HD11 LEU 83 HD12 LEU 83 69.296 -8.469 -4.309
3 HD12 LEU 83 HD13 LEU 83 68.353 -8.373 -5.797
4 HD13 LEU 83 HD21 LEU 83 67.542 -8.644 -4.255
5 HD21 LEU 83 HD22 LEU 83 70.599 -10.580 -5.708
6 HD22 LEU 83 HD23 LEU 83 69.440 -11.629 -6.523
7 HG LEU 83 HXT LEU 83 67.621 -10.783 -5.301
8 HD23 LEU 83 HXT LEU 83 69.494 -9.909 -6.908
9 HA LEU 83 HB1 LEU 83 67.756 -12.647 -4.194
10 HB3 LEU 83 HG3 LEU 83 70.116 -10.871 -3.617
11 HB2 LEU 83 HG2 LEU 83 68.552 -10.520 -2.880
No H/Q in entry = 11
Start of MODEL 23
1 HB2 PRO 84 HG2 PRO 84 70.006 -16.232 -7.766
2 HB3 PRO 84 HG3 PRO 84 69.600 -16.989 -6.214
3 HG2 PRO 84 HD2 PRO 84 68.112 -14.940 -7.766
4 HG3 PRO 84 HD3 PRO 84 67.501 -16.295 -6.803
5 HD2 PRO 84 HD3 PRO 84 67.480 -13.717 -5.937
6 HD3 PRO 84 HXT PRO 84 67.588 -15.115 -4.845
7 HA PRO 84 HB1 PRO 84 71.126 -15.490 -5.357
No H/Q in entry = 7
Start of MODEL 24
1 H1 GLY -3 H1 GLY -3 56.762 14.836 17.690
2 H2 GLY -3 H2 GLY -3 55.549 14.624 18.860
3 H3 GLY -3 H3 GLY -3 56.725 15.834 19.060
4 HA2 GLY -3 HA3 GLY -3 57.085 13.821 20.457
5 HA3 GLY -3 HXT GLY -3 58.440 14.258 19.415
No H/Q in entry = 5
Start of MODEL 24
1 H ALA -2 H ALA -2 57.494 11.591 20.504
2 HA ALA -2 HB1 ALA -2 57.721 10.099 17.947
3 HB1 ALA -2 HB2 ALA -2 59.201 9.609 19.861
4 HB2 ALA -2 HB3 ALA -2 57.793 9.263 20.867
5 HB3 ALA -2 HXT ALA -2 58.181 8.216 19.501
No H/Q in entry = 5
Start of MODEL 24
1 H MET -1 H MET -1 55.853 9.452 16.968
2 HB2 MET -1 HG2 MET -1 54.337 8.196 15.704
3 HB3 MET -1 HG3 MET -1 52.617 8.323 16.077
4 HE1 MET -1 HE2 MET -1 51.016 10.118 15.270
5 HE2 MET -1 HE3 MET -1 50.634 10.330 13.556
6 HE3 MET -1 HXT MET -1 51.069 8.739 14.176
7 HA MET -1 HB1 MET -1 53.249 9.532 18.204
8 HG3 MET -1 HD3 MET -1 54.556 10.618 15.675
9 HG2 MET -1 HD2 MET -1 52.889 10.811 16.217
No H/Q in entry = 9
Start of MODEL 24
1 H ALA 0 H ALA 0 55.570 6.902 17.614
2 HA ALA 0 HB1 ALA 0 54.224 5.243 19.664
3 HB1 ALA 0 HB2 ALA 0 54.640 4.248 16.830
4 HB2 ALA 0 HB3 ALA 0 53.106 4.903 17.404
5 HB3 ALA 0 HXT ALA 0 53.766 3.438 18.130
No H/Q in entry = 5
Start of MODEL 24
1 H MET 1 H MET 1 55.596 3.468 20.361
2 HB2 MET 1 HG2 MET 1 58.203 5.102 20.975
3 HB3 MET 1 HG3 MET 1 57.781 3.839 22.131
4 HE1 MET 1 HE2 MET 1 59.613 2.555 23.779
5 HE2 MET 1 HE3 MET 1 60.183 3.666 25.023
6 HE3 MET 1 HXT MET 1 58.621 3.937 24.238
7 HA MET 1 HB1 MET 1 58.330 3.306 19.196
8 HG3 MET 1 HD3 MET 1 60.332 4.013 20.504
9 HG2 MET 1 HD2 MET 1 59.898 2.648 21.533
No H/Q in entry = 9
Start of MODEL 24
1 H SER 2 H SER 2 56.447 2.211 22.051
2 HG SER 2 HXT SER 2 57.235 0.504 24.787
3 HA SER 2 HB1 SER 2 57.696 -0.379 22.219
4 HB3 SER 2 HG3 SER 2 55.872 -0.821 23.802
5 HB2 SER 2 HG2 SER 2 54.970 0.555 23.175
No H/Q in entry = 5
Start of MODEL 24
1 H GLY 3 H GLY 3 54.824 0.808 20.514
2 HA2 GLY 3 HA3 GLY 3 53.370 -0.246 18.999
3 HA3 GLY 3 HXT GLY 3 53.744 -1.765 19.812
No H/Q in entry = 3
Start of MODEL 24
1 H GLY 4 H GLY 4 55.991 0.448 18.162
2 HA2 GLY 4 HA3 GLY 4 57.010 0.133 16.007
3 HA3 GLY 4 HXT GLY 4 56.323 -1.491 15.945
No H/Q in entry = 3
Start of MODEL 24
1 H LEU 5 H LEU 5 58.409 -2.392 15.439
2 HD11 LEU 5 HD12 LEU 5 60.298 -3.530 20.089
3 HD12 LEU 5 HD13 LEU 5 61.897 -4.264 20.201
4 HD13 LEU 5 HD21 LEU 5 61.675 -2.773 19.287
5 HD21 LEU 5 HD22 LEU 5 59.805 -6.067 19.286
6 HD22 LEU 5 HD23 LEU 5 60.580 -6.585 17.789
7 HG LEU 5 HXT LEU 5 61.781 -4.464 17.630
8 HD23 LEU 5 HXT LEU 5 61.544 -6.360 19.248
9 HA LEU 5 HB1 LEU 5 60.625 -2.052 17.352
10 HB3 LEU 5 HG3 LEU 5 59.266 -4.741 16.971
11 HB2 LEU 5 HG2 LEU 5 58.964 -3.684 18.350
No H/Q in entry = 11
Start of MODEL 24
1 HB2 PRO 6 HG2 PRO 6 62.898 -0.992 12.196
2 HB3 PRO 6 HG3 PRO 6 61.171 -1.271 11.895
3 HG2 PRO 6 HD2 PRO 6 62.486 0.305 14.042
4 HG3 PRO 6 HD3 PRO 6 60.982 0.621 13.165
5 HD2 PRO 6 HD3 PRO 6 61.063 -0.370 15.699
6 HD3 PRO 6 HXT PRO 6 59.738 -0.696 14.560
7 HA PRO 6 HB1 PRO 6 61.574 -3.309 12.894
No H/Q in entry = 7
Start of MODEL 24
1 H GLU 7 H GLU 7 63.428 -4.519 12.812
2 HB2 GLU 7 HG2 GLU 7 65.337 -5.650 12.041
3 HB3 GLU 7 HG3 GLU 7 66.624 -5.988 13.200
4 HA GLU 7 HB1 GLU 7 65.501 -4.390 14.796
5 HG3 GLU 7 HD3 GLU 7 63.661 -6.464 13.633
6 HG2 GLU 7 HD2 GLU 7 64.913 -6.730 14.846
No H/Q in entry = 6
Start of MODEL 24
1 H LEU 8 H LEU 8 66.879 -2.650 14.943
2 HD11 LEU 8 HD12 LEU 8 68.086 -0.564 17.330
3 HD12 LEU 8 HD13 LEU 8 68.586 1.041 16.795
4 HD13 LEU 8 HD21 LEU 8 66.917 0.756 17.288
5 HD21 LEU 8 HD22 LEU 8 67.315 1.031 13.501
6 HD22 LEU 8 HD23 LEU 8 66.186 1.603 14.728
7 HG LEU 8 HXT LEU 8 66.513 -0.637 15.355
8 HD23 LEU 8 HXT LEU 8 67.902 1.990 14.858
9 HA LEU 8 HB1 LEU 8 67.589 -0.863 12.814
10 HB3 LEU 8 HG3 LEU 8 69.359 -0.171 14.459
11 HB2 LEU 8 HG2 LEU 8 68.924 -1.567 15.446
No H/Q in entry = 11
Start of MODEL 24
1 H GLY 9 H GLY 9 69.480 -0.783 11.516
2 HA2 GLY 9 HA3 GLY 9 71.647 -2.711 11.818
3 HA3 GLY 9 HXT GLY 9 71.497 -1.492 10.572
No H/Q in entry = 3
Start of MODEL 24
1 H SER 10 H SER 10 68.602 -3.117 10.469
2 HG SER 10 HXT SER 10 66.505 -4.455 10.847
3 HA SER 10 HB1 SER 10 69.201 -5.596 9.183
4 HB3 SER 10 HG3 SER 10 66.854 -5.299 8.297
5 HB2 SER 10 HG2 SER 10 66.873 -3.667 8.960
No H/Q in entry = 5
Start of MODEL 24
1 H LYS 11 H LYS 11 69.392 -6.123 6.953
2 HB2 LYS 11 HG2 LYS 11 71.016 -5.884 3.764
3 HB3 LYS 11 HG3 LYS 11 71.412 -6.324 5.422
4 HG2 LYS 11 HG3 LYS 11 69.154 -7.466 5.565
5 HG3 LYS 11 HD2 LYS 11 68.971 -7.172 3.837
6 HD2 LYS 11 HD3 LYS 11 69.868 -9.373 4.016
7 HE2 LYS 11 HE3 LYS 11 72.111 -8.325 5.767
8 HE3 LYS 11 HZ1 LYS 11 70.619 -9.011 6.442
9 HZ1 LYS 11 HZ2 LYS 11 70.963 -10.984 5.069
10 HZ2 LYS 11 HZ3 LYS 11 72.423 -10.340 4.486
11 HD3 LYS 11 HXT LYS 11 71.223 -8.348 3.545
12 HZ3 LYS 11 HXT LYS 11 72.266 -10.746 6.128
13 HA LYS 11 HB1 LYS 11 70.485 -4.009 5.237
No H/Q in entry = 13
Start of MODEL 24
1 H ILE 12 H ILE 12 69.308 -2.845 3.783
2 HB ILE 12 HG12 ILE 12 67.540 -1.067 3.415
3 HG12 ILE 12 HG13 ILE 12 65.481 -2.744 4.884
4 HG13 ILE 12 HG21 ILE 12 67.147 -2.555 5.433
5 HG21 ILE 12 HG22 ILE 12 64.854 -2.208 2.574
6 HG22 ILE 12 HG23 ILE 12 65.133 -0.533 3.048
7 HD11 ILE 12 HD12 ILE 12 66.781 -0.054 5.397
8 HD12 ILE 12 HD13 ILE 12 65.073 -0.373 5.091
9 HG23 ILE 12 HXT ILE 12 65.898 -1.176 1.595
10 HD13 ILE 12 HXT ILE 12 65.816 -0.913 6.597
11 HA ILE 12 HB1 ILE 12 66.651 -3.930 2.893
No H/Q in entry = 11
Start of MODEL 24
1 H SER 13 H SER 13 66.208 -3.796 0.697
2 HG SER 13 HXT SER 13 68.300 -4.196 -3.109
3 HA SER 13 HB1 SER 13 68.405 -2.888 -1.106
4 HB3 SER 13 HG3 SER 13 65.915 -4.556 -1.604
5 HB2 SER 13 HG2 SER 13 67.506 -5.217 -1.241
No H/Q in entry = 5
Start of MODEL 24
1 H LEU 14 H LEU 14 68.014 -1.227 -2.589
2 HD11 LEU 14 HD12 LEU 14 65.419 1.521 0.108
3 HD12 LEU 14 HD13 LEU 14 64.558 2.990 -0.350
4 HD13 LEU 14 HD21 LEU 14 64.333 1.511 -1.283
5 HD21 LEU 14 HD22 LEU 14 67.891 3.830 -1.541
6 HD22 LEU 14 HD23 LEU 14 66.388 4.519 -0.927
7 HG LEU 14 HXT LEU 14 65.825 2.835 -2.584
8 HD23 LEU 14 HXT LEU 14 67.272 3.335 0.035
9 HA LEU 14 HB1 LEU 14 65.374 0.175 -2.397
10 HB3 LEU 14 HG3 LEU 14 68.015 1.621 -2.385
11 HB2 LEU 14 HG2 LEU 14 67.427 0.894 -0.891
No H/Q in entry = 11
Start of MODEL 24
1 H ILE 15 H ILE 15 64.617 0.569 -4.442
2 HB ILE 15 HG12 ILE 15 63.510 0.182 -6.570
3 HG12 ILE 15 HG13 ILE 15 65.586 -1.962 -7.100
4 HG13 ILE 15 HG21 ILE 15 64.934 -1.642 -5.493
5 HG21 ILE 15 HG22 ILE 15 64.399 1.014 -8.771
6 HG22 ILE 15 HG23 ILE 15 65.385 -0.445 -8.872
7 HD11 ILE 15 HD12 ILE 15 62.619 -1.956 -6.492
8 HD12 ILE 15 HD13 ILE 15 63.416 -2.549 -7.950
9 HG23 ILE 15 HXT ILE 15 63.625 -0.567 -8.879
10 HD13 ILE 15 HXT ILE 15 63.609 -3.413 -6.425
11 HA ILE 15 HB1 ILE 15 66.538 0.467 -6.735
No H/Q in entry = 11
Start of MODEL 24
1 H SER 16 H SER 16 67.085 2.418 -7.585
2 HG SER 16 HXT SER 16 68.077 3.778 -6.004
3 HA SER 16 HB1 SER 16 65.527 4.843 -6.890
4 HB3 SER 16 HG3 SER 16 67.585 5.951 -7.770
5 HB2 SER 16 HG2 SER 16 68.221 4.363 -8.188
No H/Q in entry = 5
Start of MODEL 24
1 H LYS 17 H LYS 17 65.100 6.472 -8.576
2 HB2 LYS 17 HG2 LYS 17 63.540 7.791 -9.501
3 HB3 LYS 17 HG3 LYS 17 64.872 8.145 -10.602
4 HG2 LYS 17 HG3 LYS 17 63.379 7.666 -12.530
5 HG3 LYS 17 HD2 LYS 17 62.046 7.387 -11.407
6 HD2 LYS 17 HD3 LYS 17 62.377 9.713 -10.528
7 HE2 LYS 17 HE3 LYS 17 61.614 10.813 -12.793
8 HE3 LYS 17 HZ1 LYS 17 61.638 9.141 -13.392
9 HZ1 LYS 17 HZ2 LYS 17 60.268 10.051 -10.915
10 HZ2 LYS 17 HZ3 LYS 17 59.490 9.716 -12.387
11 HD3 LYS 17 HXT LYS 17 63.577 9.974 -11.794
12 HZ3 LYS 17 HXT LYS 17 60.267 8.471 -11.537
13 HA LYS 17 HB1 LYS 17 63.382 5.512 -10.579
No H/Q in entry = 13
Start of MODEL 24
1 H ALA 18 H ALA 18 66.848 5.690 -10.774
2 HA ALA 18 HB1 ALA 18 66.908 5.838 -13.722
3 HB1 ALA 18 HB2 ALA 18 69.414 5.555 -13.185
4 HB2 ALA 18 HB3 ALA 18 68.638 7.004 -12.548
5 HB3 ALA 18 HXT ALA 18 68.942 5.627 -11.485
No H/Q in entry = 5
Start of MODEL 24
1 H ASP 19 H ASP 19 65.727 3.470 -12.077
2 HA ASP 19 HB1 ASP 19 65.721 1.123 -12.115
3 HB3 ASP 19 HG3 ASP 19 66.484 0.167 -14.292
4 HB2 ASP 19 HG2 ASP 19 67.179 1.728 -14.714
No H/Q in entry = 4
Start of MODEL 24
1 H ILE 20 H ILE 20 67.881 2.490 -10.718
2 HB ILE 20 HG12 ILE 20 69.962 3.152 -9.460
3 HG12 ILE 20 HG13 ILE 20 71.191 2.782 -12.214
4 HG13 ILE 20 HG21 ILE 20 69.633 3.539 -11.917
5 HG21 ILE 20 HG22 ILE 20 72.289 1.408 -10.325
6 HG22 ILE 20 HG23 ILE 20 72.495 3.035 -9.674
7 HD11 ILE 20 HD12 ILE 20 70.859 5.148 -10.355
8 HD12 ILE 20 HD13 ILE 20 72.355 4.521 -11.045
9 HG23 ILE 20 HXT ILE 20 71.773 1.772 -8.679
10 HD13 ILE 20 HXT ILE 20 71.183 5.341 -12.077
11 HA ILE 20 HB1 ILE 20 70.189 0.613 -11.117
No H/Q in entry = 11
Start of MODEL 24
1 H ARG 21 H ARG 21 70.863 -0.702 -9.364
2 HB2 ARG 21 HG2 ARG 21 69.356 -2.849 -8.699
3 HB3 ARG 21 HG3 ARG 21 71.011 -2.876 -8.091
4 HG2 ARG 21 HD2 ARG 21 70.132 -3.223 -5.789
5 HG3 ARG 21 HD3 ARG 21 68.495 -3.282 -6.447
6 HD2 ARG 21 HD3 ARG 21 69.180 -5.217 -7.884
7 HE ARG 21 HH12 ARG 21 69.753 -6.097 -5.151
8 HH11 ARG 21 HH21 ARG 21 67.303 -4.772 -7.270
9 HH12 ARG 21 HH22 ARG 21 66.002 -5.390 -6.315
10 HD3 ARG 21 HXT ARG 21 70.765 -5.200 -7.087
11 HH21 ARG 21 HXT ARG 21 68.038 -6.875 -3.947
12 HH22 ARG 21 H1 ARG 21 66.411 -6.567 -4.454
13 HA ARG 21 HB1 ARG 21 68.892 -0.927 -7.121
No H/Q in entry = 13
Start of MODEL 24
1 H TYR 22 H TYR 22 69.566 0.017 -5.270
2 HD1 TYR 22 HD2 TYR 22 73.630 2.787 -4.206
3 HD2 TYR 22 HE1 TYR 22 69.704 2.534 -6.005
4 HE1 TYR 22 HE2 TYR 22 74.333 4.404 -5.971
5 HE2 TYR 22 HH TYR 22 70.411 4.152 -7.777
6 HH TYR 22 HXT TYR 22 73.143 4.774 -8.717
7 HA TYR 22 HB1 TYR 22 72.475 -0.038 -4.539
8 HB3 TYR 22 HG3 TYR 22 71.726 1.820 -2.995
9 HB2 TYR 22 HG2 TYR 22 70.140 1.712 -3.728
No H/Q in entry = 9
Start of MODEL 24
1 H GLU 23 H GLU 23 72.982 -0.841 -2.420
2 HB2 GLU 23 HG2 GLU 23 73.088 -3.361 -1.678
3 HB3 GLU 23 HG3 GLU 23 72.023 -3.893 -0.377
4 HA GLU 23 HB1 GLU 23 70.697 -1.760 -0.718
5 HG3 GLU 23 HD3 GLU 23 71.328 -3.444 -3.283
6 HG2 GLU 23 HD2 GLU 23 70.091 -3.559 -2.031
No H/Q in entry = 6
Start of MODEL 24
1 H GLY 24 H GLY 24 71.130 -1.524 1.500
2 HA2 GLY 24 HA3 GLY 24 72.908 0.432 2.364
3 HA3 GLY 24 HXT GLY 24 73.824 -1.066 2.512
No H/Q in entry = 3
Start of MODEL 24
1 H ARG 25 H ARG 25 73.679 -0.201 4.855
2 HB2 ARG 25 HG2 ARG 25 73.966 -0.039 7.129
3 HB3 ARG 25 HG3 ARG 25 72.989 -0.988 8.251
4 HG2 ARG 25 HD2 ARG 25 73.576 -3.046 6.977
5 HG3 ARG 25 HD3 ARG 25 74.619 -2.076 5.937
6 HD2 ARG 25 HD3 ARG 25 75.874 -1.348 8.018
7 HE ARG 25 HH12 ARG 25 76.150 -3.651 6.495
8 HH11 ARG 25 HH21 ARG 25 76.707 -2.890 9.866
9 HH12 ARG 25 HH22 ARG 25 77.956 -4.073 10.028
10 HD3 ARG 25 HXT ARG 25 74.940 -2.560 8.916
11 HH21 ARG 25 HXT ARG 25 77.771 -5.165 6.752
12 HH22 ARG 25 H1 ARG 25 78.554 -5.347 8.287
13 HA ARG 25 HB1 ARG 25 71.641 -1.791 6.275
No H/Q in entry = 13
Start of MODEL 24
1 H LEU 26 H LEU 26 69.842 -0.952 7.314
2 HD11 LEU 26 HD12 LEU 26 66.899 1.877 6.518
3 HD12 LEU 26 HD13 LEU 26 65.360 1.198 7.048
4 HD13 LEU 26 HD21 LEU 26 65.798 2.846 7.496
5 HD21 LEU 26 HD22 LEU 26 65.562 -0.329 9.065
6 HD22 LEU 26 HD23 LEU 26 66.195 0.518 10.477
7 HG LEU 26 HXT LEU 26 67.283 2.156 9.135
8 HD23 LEU 26 HXT LEU 26 64.906 1.246 9.517
9 HA LEU 26 HB1 LEU 26 68.894 1.725 6.917
10 HB3 LEU 26 HG3 LEU 26 68.206 -0.252 9.108
11 HB2 LEU 26 HG2 LEU 26 67.585 -0.341 7.462
No H/Q in entry = 11
Start of MODEL 24
1 H TYR 27 H TYR 27 69.850 3.537 7.847
2 HD1 TYR 27 HD2 TYR 27 73.186 3.926 11.174
3 HD2 TYR 27 HE1 TYR 27 71.924 7.598 9.270
4 HE1 TYR 27 HE2 TYR 27 74.558 5.238 12.795
5 HE2 TYR 27 HH TYR 27 73.297 8.909 10.893
6 HH TYR 27 HXT TYR 27 74.205 8.166 13.566
7 HA TYR 27 HB1 TYR 27 71.155 3.306 10.518
8 HB3 TYR 27 HG3 TYR 27 71.079 5.567 8.507
9 HB2 TYR 27 HG2 TYR 27 72.290 4.298 8.514
No H/Q in entry = 9
Start of MODEL 24
1 H THR 28 H THR 28 68.809 5.404 8.793
2 HG1 THR 28 HG21 THR 28 68.891 8.987 9.443
3 HG21 THR 28 HG22 THR 28 68.765 6.851 12.648
4 HG22 THR 28 HG23 THR 28 70.166 7.043 11.594
5 HG23 THR 28 HXT THR 28 69.416 8.459 12.331
6 HA THR 28 HB1 THR 28 67.292 5.815 11.304
7 HB THR 28 HG12 THR 28 67.540 8.351 10.920
No H/Q in entry = 7
Start of MODEL 24
1 H VAL 29 H VAL 29 65.194 6.780 10.898
2 HB VAL 29 HG12 VAL 29 64.111 4.764 8.680
3 HG11 VAL 29 HG12 VAL 29 63.768 5.106 11.103
4 HG12 VAL 29 HG13 VAL 29 62.214 5.873 10.773
5 HG13 VAL 29 HG21 VAL 29 62.451 4.165 10.400
6 HG21 VAL 29 HG22 VAL 29 61.754 6.529 8.094
7 HG22 VAL 29 HG23 VAL 29 62.546 5.340 7.059
8 HG23 VAL 29 HXT VAL 29 61.484 4.806 8.361
9 HA VAL 29 HB1 VAL 29 64.423 7.151 8.043
No H/Q in entry = 9
Start of MODEL 24
1 H ASP 30 H ASP 30 62.697 8.618 7.779
2 HA ASP 30 HB1 ASP 30 61.457 9.726 10.276
3 HB3 ASP 30 HG3 ASP 30 62.020 11.377 7.827
4 HB2 ASP 30 HG2 ASP 30 63.335 11.025 8.948
No H/Q in entry = 4
Start of MODEL 24
1 HB2 PRO 31 HG2 PRO 31 56.462 8.653 9.975
2 HB3 PRO 31 HG3 PRO 31 56.663 7.131 9.088
3 HG2 PRO 31 HD2 PRO 31 57.719 7.520 11.519
4 HG3 PRO 31 HD3 PRO 31 58.500 6.512 10.291
5 HD2 PRO 31 HD3 PRO 31 59.199 9.254 11.205
6 HD3 PRO 31 HXT PRO 31 60.256 7.934 10.660
7 HA PRO 31 HB1 PRO 31 58.134 8.064 7.596
No H/Q in entry = 7
Start of MODEL 24
1 H GLN 32 H GLN 32 57.960 10.988 9.629
2 HB2 GLN 32 HG2 GLN 32 56.102 12.268 10.703
3 HB3 GLN 32 HG3 GLN 32 57.397 13.365 10.219
4 HE21 GLN 32 HE22 GLN 32 53.493 14.653 11.482
5 HE22 GLN 32 HXT GLN 32 54.313 15.581 12.642
6 HA GLN 32 HB1 GLN 32 55.556 11.966 8.246
7 HG3 GLN 32 HD3 GLN 32 54.435 13.711 9.674
8 HG2 GLN 32 HD2 GLN 32 55.695 14.754 9.012
No H/Q in entry = 8
Start of MODEL 24
1 H GLU 33 H GLU 33 59.034 12.534 8.099
2 HB2 GLU 33 HG2 GLU 33 61.066 13.161 7.276
3 HB3 GLU 33 HG3 GLU 33 61.254 14.484 6.124
4 HA GLU 33 HB1 GLU 33 58.732 14.727 6.147
5 HG3 GLU 33 HD3 GLU 33 60.060 14.630 8.903
6 HG2 GLU 33 HD2 GLU 33 59.948 15.942 7.730
No H/Q in entry = 6
Start of MODEL 24
1 H CYS 34 H CYS 34 58.239 11.444 5.859
2 HG CYS 34 HXT CYS 34 56.139 10.326 3.481
3 HA CYS 34 HB1 CYS 34 58.419 9.873 4.111
4 HB3 CYS 34 HG3 CYS 34 58.232 11.100 1.828
5 HB2 CYS 34 HG2 CYS 34 58.173 12.575 2.793
No H/Q in entry = 5
Start of MODEL 24
1 H THR 35 H THR 35 60.976 10.533 5.266
2 HG1 THR 35 HG21 THR 35 62.034 12.318 5.696
3 HG21 THR 35 HG22 THR 35 61.933 12.489 2.659
4 HG22 THR 35 HG23 THR 35 62.169 13.692 3.926
5 HG23 THR 35 HXT THR 35 63.443 13.394 2.746
6 HA THR 35 HB1 THR 35 62.750 10.299 2.857
7 HB THR 35 HG12 THR 35 64.324 11.834 4.099
No H/Q in entry = 7
Start of MODEL 24
1 H ILE 36 H ILE 36 64.707 9.111 3.265
2 HB ILE 36 HG12 ILE 36 65.313 5.680 4.888
3 HG12 ILE 36 HG13 ILE 36 64.198 6.990 2.391
4 HG13 ILE 36 HG21 ILE 36 65.921 6.684 2.617
5 HG21 ILE 36 HG22 ILE 36 63.050 6.760 5.696
6 HG22 ILE 36 HG23 ILE 36 62.653 6.732 3.979
7 HD11 ILE 36 HD12 ILE 36 65.178 4.247 3.161
8 HD12 ILE 36 HD13 ILE 36 63.672 4.697 2.363
9 HG23 ILE 36 HXT ILE 36 63.031 5.229 4.821
10 HD13 ILE 36 HXT ILE 36 65.194 4.762 1.475
11 HA ILE 36 HB1 ILE 36 65.039 7.914 5.975
No H/Q in entry = 11
Start of MODEL 24
1 H ALA 37 H ALA 37 67.238 7.015 6.269
2 HA ALA 37 HB1 ALA 37 69.229 7.843 4.195
3 HB1 ALA 37 HB2 ALA 37 69.846 8.152 7.114
4 HB2 ALA 37 HB3 ALA 37 68.805 9.355 6.352
5 HB3 ALA 37 HXT ALA 37 70.439 9.089 5.741
No H/Q in entry = 5
Start of MODEL 24
1 H LEU 38 H LEU 38 70.600 6.188 3.739
2 HD11 LEU 38 HD12 LEU 38 69.709 2.096 1.639
3 HD12 LEU 38 HD13 LEU 38 67.988 2.388 1.895
4 HD13 LEU 38 HD21 LEU 38 69.001 3.646 1.186
5 HD21 LEU 38 HD22 LEU 38 69.508 1.617 4.496
6 HD22 LEU 38 HD23 LEU 38 68.601 2.908 5.283
7 HG LEU 38 HXT LEU 38 68.771 4.332 3.430
8 HD23 LEU 38 HXT LEU 38 67.844 1.945 4.015
9 HA LEU 38 HB1 LEU 38 70.648 3.830 5.592
10 HB3 LEU 38 HG3 LEU 38 71.265 2.613 3.493
11 HB2 LEU 38 HG2 LEU 38 71.162 4.138 2.613
No H/Q in entry = 11
Start of MODEL 24
1 H SER 39 H SER 39 72.685 2.981 6.195
2 HG SER 39 HXT SER 39 73.947 2.933 8.968
3 HA SER 39 HB1 SER 39 75.041 4.725 5.538
4 HB3 SER 39 HG3 SER 39 74.185 4.761 7.885
5 HB2 SER 39 HG2 SER 39 75.818 4.108 7.792
No H/Q in entry = 5
Start of MODEL 24
1 H SER 40 H SER 40 77.102 3.564 5.315
2 HG SER 40 HXT SER 40 76.713 -1.086 5.716
3 HA SER 40 HB1 SER 40 78.280 1.993 4.000
4 HB3 SER 40 HG3 SER 40 78.082 1.096 6.389
5 HB2 SER 40 HG2 SER 40 78.445 -0.100 5.152
No H/Q in entry = 5
Start of MODEL 24
1 H VAL 41 H VAL 41 77.108 2.394 2.031
2 HB VAL 41 HG12 VAL 41 74.012 2.198 1.874
3 HG11 VAL 41 HG12 VAL 41 75.852 3.803 1.281
4 HG12 VAL 41 HG13 VAL 41 75.456 3.541 -0.421
5 HG13 VAL 41 HG21 VAL 41 74.267 4.270 0.659
6 HG21 VAL 41 HG22 VAL 41 74.017 1.074 -0.874
7 HG22 VAL 41 HG23 VAL 41 72.704 1.194 0.295
8 HG23 VAL 41 HXT VAL 41 73.144 2.594 -0.679
9 HA VAL 41 HB1 VAL 41 75.293 0.157 1.230
No H/Q in entry = 9
Start of MODEL 24
1 H ARG 42 H ARG 42 75.472 -0.422 -0.986
2 HB2 ARG 42 HG2 ARG 42 78.441 -1.257 -3.216
3 HB3 ARG 42 HG3 ARG 42 78.544 -0.983 -1.479
4 HG2 ARG 42 HD2 ARG 42 76.377 -2.228 -1.214
5 HG3 ARG 42 HD3 ARG 42 76.433 -2.605 -2.936
6 HD2 ARG 42 HD3 ARG 42 77.391 -4.499 -1.771
7 HE ARG 42 HH12 ARG 42 78.102 -2.648 0.171
8 HH11 ARG 42 HH21 ARG 42 79.867 -5.074 -1.633
9 HH12 ARG 42 HH22 ARG 42 81.017 -5.320 -0.365
10 HD3 ARG 42 HXT ARG 42 78.745 -3.618 -2.505
11 HH21 ARG 42 HXT ARG 42 79.609 -3.001 1.780
12 HH22 ARG 42 H1 ARG 42 80.875 -4.161 1.545
13 HA ARG 42 HB1 ARG 42 77.568 0.988 -2.589
No H/Q in entry = 13
Start of MODEL 24
1 H SER 43 H SER 43 77.255 0.813 -4.888
2 HG SER 43 HXT SER 43 77.239 2.481 -6.704
3 HA SER 43 HB1 SER 43 74.506 -0.053 -5.705
4 HB3 SER 43 HG3 SER 43 75.278 2.344 -5.958
5 HB2 SER 43 HG2 SER 43 74.777 1.594 -7.470
No H/Q in entry = 5
Start of MODEL 24
1 H PHE 44 H PHE 44 74.301 -1.614 -7.331
2 HD1 PHE 44 HD2 PHE 44 75.976 -6.262 -7.434
3 HD2 PHE 44 HE1 PHE 44 73.232 -3.269 -5.950
4 HE1 PHE 44 HE2 PHE 44 75.850 -7.462 -5.248
5 HE2 PHE 44 HZ PHE 44 73.106 -4.468 -3.766
6 HZ PHE 44 HXT PHE 44 74.414 -6.566 -3.414
7 HA PHE 44 HB1 PHE 44 76.688 -3.294 -7.717
8 HB3 PHE 44 HG3 PHE 44 74.865 -4.675 -8.946
9 HB2 PHE 44 HG2 PHE 44 73.749 -3.466 -8.339
No H/Q in entry = 9
Start of MODEL 24
1 H GLY 45 H GLY 45 74.495 -1.393 -9.818
2 HA2 GLY 45 HA3 GLY 45 75.919 -2.054 -12.257
3 HA3 GLY 45 HXT GLY 45 76.444 -0.515 -11.585
No H/Q in entry = 3
Start of MODEL 24
1 H THR 46 H THR 46 75.529 0.322 -13.648
2 HG1 THR 46 HG21 THR 46 74.954 2.373 -15.643
3 HG21 THR 46 HG22 THR 46 73.102 2.171 -12.079
4 HG22 THR 46 HG23 THR 46 74.666 2.946 -12.336
5 HG23 THR 46 HXT THR 46 73.182 3.798 -12.754
6 HA THR 46 HB1 THR 46 72.533 0.548 -13.584
7 HB THR 46 HG12 THR 46 72.981 2.729 -14.753
No H/Q in entry = 7
Start of MODEL 24
1 H GLU 47 H GLU 47 75.255 -0.566 -15.419
2 HB2 GLU 47 HG2 GLU 47 75.964 -2.289 -16.897
3 HB3 GLU 47 HG3 GLU 47 76.051 -1.857 -18.605
4 HA GLU 47 HB1 GLU 47 74.690 0.200 -18.049
5 HG3 GLU 47 HD3 GLU 47 77.070 -0.198 -16.280
6 HG2 GLU 47 HD2 GLU 47 77.064 0.332 -17.961
No H/Q in entry = 6
Start of MODEL 24
1 H ASP 48 H ASP 48 73.107 -2.307 -16.163
2 HA ASP 48 HB1 ASP 48 72.135 -3.880 -18.394
3 HB3 ASP 48 HG3 ASP 48 70.633 -4.809 -16.593
4 HB2 ASP 48 HG2 ASP 48 71.251 -3.563 -15.508
No H/Q in entry = 4
Start of MODEL 24
1 H ARG 49 H ARG 49 70.375 -1.647 -16.192
2 HB2 ARG 49 HG2 ARG 49 68.525 -0.584 -15.279
3 HB3 ARG 49 HG3 ARG 49 67.007 -0.432 -16.166
4 HG2 ARG 49 HD2 ARG 49 67.015 -2.922 -16.491
5 HG3 ARG 49 HD3 ARG 49 68.432 -3.009 -15.444
6 HD2 ARG 49 HD3 ARG 49 66.574 -3.422 -13.995
7 HE ARG 49 HH12 ARG 49 64.971 -1.103 -14.779
8 HH11 ARG 49 HH21 ARG 49 65.767 -4.418 -15.567
9 HH12 ARG 49 HH22 ARG 49 64.266 -4.691 -16.377
10 HD3 ARG 49 HXT ARG 49 66.985 -1.720 -13.713
11 HH21 ARG 49 HXT ARG 49 63.043 -1.502 -15.837
12 HH22 ARG 49 H1 ARG 49 62.739 -3.060 -16.531
13 HA ARG 49 HB1 ARG 49 68.114 -1.572 -18.116
No H/Q in entry = 13
Start of MODEL 24
1 H ASP 50 H ASP 50 70.839 0.389 -17.294
2 HA ASP 50 HB1 ASP 50 69.674 3.006 -17.394
3 HB3 ASP 50 HG3 ASP 50 71.903 2.402 -16.453
4 HB2 ASP 50 HG2 ASP 50 71.995 3.742 -17.588
No H/Q in entry = 4
Start of MODEL 24
1 H THR 51 H THR 51 70.417 4.631 -19.143
2 HG1 THR 51 HG21 THR 51 69.126 6.546 -19.635
3 HG21 THR 51 HG22 THR 51 68.845 5.561 -23.127
4 HG22 THR 51 HG23 THR 51 69.077 7.244 -22.654
5 HG23 THR 51 HXT THR 51 70.434 6.311 -23.287
6 HA THR 51 HB1 THR 51 69.409 3.780 -21.755
7 HB THR 51 HG12 THR 51 70.754 6.368 -20.930
No H/Q in entry = 7
Start of MODEL 24
1 H GLN 52 H GLN 52 70.722 4.267 -23.759
2 HB2 GLN 52 HG2 GLN 52 73.202 3.064 -26.042
3 HB3 GLN 52 HG3 GLN 52 71.670 2.457 -25.419
4 HE21 GLN 52 HE22 GLN 52 73.102 5.355 -28.037
5 HE22 GLN 52 HXT GLN 52 72.328 4.654 -29.376
6 HA GLN 52 HB1 GLN 52 73.235 2.792 -23.566
7 HG3 GLN 52 HD3 GLN 52 72.157 5.401 -25.923
8 HG2 GLN 52 HD2 GLN 52 70.613 4.584 -25.691
No H/Q in entry = 8
Start of MODEL 24
1 H PHE 53 H PHE 53 72.730 5.951 -22.802
2 HD1 PHE 53 HD2 PHE 53 73.036 7.060 -25.238
3 HD2 PHE 53 HE1 PHE 53 73.889 10.884 -23.397
4 HE1 PHE 53 HE2 PHE 53 72.394 8.223 -27.350
5 HE2 PHE 53 HZ PHE 53 73.248 12.042 -25.513
6 HZ PHE 53 HXT PHE 53 72.501 10.713 -27.489
7 HA PHE 53 HB1 PHE 53 75.268 6.946 -23.965
8 HB3 PHE 53 HG3 PHE 53 74.520 8.867 -22.299
9 HB2 PHE 53 HG2 PHE 53 72.997 7.999 -22.317
No H/Q in entry = 9
Start of MODEL 24
1 H GLN 54 H GLN 54 76.890 7.876 -22.345
2 HB2 GLN 54 HG2 GLN 54 78.622 8.618 -20.942
3 HB3 GLN 54 HG3 GLN 54 79.576 7.408 -20.083
4 HE21 GLN 54 HE22 GLN 54 81.778 6.504 -23.320
5 HE22 GLN 54 HXT GLN 54 82.600 7.987 -23.240
6 HA GLN 54 HB1 GLN 54 77.841 5.694 -20.724
7 HG3 GLN 54 HD3 GLN 54 78.817 7.268 -23.017
8 HG2 GLN 54 HD2 GLN 54 79.809 6.097 -22.147
No H/Q in entry = 8
Start of MODEL 24
1 H ILE 55 H ILE 55 77.642 5.308 -18.539
2 HB ILE 55 HG12 ILE 55 76.286 4.316 -16.618
3 HG12 ILE 55 HG13 ILE 55 75.044 4.959 -18.632
4 HG13 ILE 55 HG21 ILE 55 73.917 4.410 -17.397
5 HG21 ILE 55 HG22 ILE 55 74.931 6.508 -15.068
6 HG22 ILE 55 HG23 ILE 55 74.197 4.907 -15.156
7 HD11 ILE 55 HD12 ILE 55 73.918 7.034 -16.802
8 HD12 ILE 55 HD13 ILE 55 74.323 7.147 -18.515
9 HG23 ILE 55 HXT ILE 55 75.809 5.101 -14.469
10 HD13 ILE 55 HXT ILE 55 72.833 6.349 -18.011
11 HA ILE 55 HB1 ILE 55 76.201 7.349 -16.869
No H/Q in entry = 11
Start of MODEL 24
1 H ALA 56 H ALA 56 77.177 7.913 -14.920
2 HA ALA 56 HB1 ALA 56 80.000 7.404 -14.570
3 HB1 ALA 56 HB2 ALA 56 79.787 8.960 -12.828
4 HB2 ALA 56 HB3 ALA 56 78.166 8.406 -12.407
5 HB3 ALA 56 HXT ALA 56 78.418 9.377 -13.857
No H/Q in entry = 5
Start of MODEL 24
1 HB2 PRO 57 HG2 PRO 57 81.861 2.784 -12.147
2 HB3 PRO 57 HG3 PRO 57 80.913 2.473 -13.614
3 HG2 PRO 57 HD2 PRO 57 82.872 4.633 -13.053
4 HG3 PRO 57 HD3 PRO 57 82.572 3.739 -14.551
5 HD2 PRO 57 HD3 PRO 57 81.677 6.270 -14.118
6 HD3 PRO 57 HXT PRO 57 80.851 5.108 -15.179
7 HA PRO 57 HB1 PRO 57 79.206 3.473 -12.431
No H/Q in entry = 7
Start of MODEL 24
1 H GLN 58 H GLN 58 79.497 2.823 -10.210
2 HB2 GLN 58 HG2 GLN 58 78.133 3.616 -8.208
3 HB3 GLN 58 HG3 GLN 58 78.929 4.505 -6.909
4 HE21 GLN 58 HE22 GLN 58 77.462 8.045 -8.082
5 HE22 GLN 58 HXT GLN 58 75.901 7.631 -7.560
6 HA GLN 58 HB1 GLN 58 80.926 4.781 -8.443
7 HG3 GLN 58 HD3 GLN 58 78.390 5.588 -9.690
8 HG2 GLN 58 HD2 GLN 58 79.150 6.473 -8.367
No H/Q in entry = 8
Start of MODEL 24
1 H SER 59 H SER 59 82.442 2.743 -8.866
2 HG SER 59 HXT SER 59 84.380 0.623 -10.112
3 HA SER 59 HB1 SER 59 81.874 0.233 -7.572
4 HB3 SER 59 HG3 SER 59 84.285 -0.120 -7.867
5 HB2 SER 59 HG2 SER 59 84.526 1.607 -8.117
No H/Q in entry = 5
Start of MODEL 24
1 H GLN 60 H GLN 60 83.263 3.277 -6.416
2 HB2 GLN 60 HG2 GLN 60 84.681 4.590 -5.113
3 HB3 GLN 60 HG3 GLN 60 83.072 5.043 -4.551
4 HE21 GLN 60 HE22 GLN 60 86.711 6.175 -2.520
5 HE22 GLN 60 HXT GLN 60 86.166 7.771 -2.715
6 HA GLN 60 HB1 GLN 60 84.373 2.372 -3.940
7 HG3 GLN 60 HD3 GLN 60 85.458 4.334 -2.820
8 HG2 GLN 60 HD2 GLN 60 83.829 4.611 -2.201
No H/Q in entry = 8
Start of MODEL 24
1 H ILE 61 H ILE 61 83.474 2.530 -1.777
2 HB ILE 61 HG12 ILE 61 82.744 1.748 0.422
3 HG12 ILE 61 HG13 ILE 61 83.250 0.275 -1.464
4 HG13 ILE 61 HG21 ILE 61 82.686 -0.692 -0.105
5 HG21 ILE 61 HG22 ILE 61 80.164 1.832 1.010
6 HG22 ILE 61 HG23 ILE 61 80.202 0.160 0.456
7 HD11 ILE 61 HD12 ILE 61 80.355 -0.034 -1.547
8 HD12 ILE 61 HD13 ILE 61 81.556 -0.447 -2.769
9 HG23 ILE 61 HXT ILE 61 81.226 0.666 1.797
10 HD13 ILE 61 HXT ILE 61 81.161 -1.602 -1.498
11 HA ILE 61 HB1 ILE 61 80.551 1.980 -1.670
No H/Q in entry = 11
Start of MODEL 24
1 H TYR 62 H TYR 62 79.130 3.354 -0.587
2 HD1 TYR 62 HD2 TYR 62 79.186 7.952 -1.631
3 HD2 TYR 62 HE1 TYR 62 77.656 4.007 -2.520
4 HE1 TYR 62 HE2 TYR 62 79.568 8.352 -4.064
5 HE2 TYR 62 HH TYR 62 78.039 4.408 -4.954
6 HH TYR 62 HXT TYR 62 78.607 7.450 -6.257
7 HA TYR 62 HB1 TYR 62 80.196 6.028 0.178
8 HB3 TYR 62 HG3 TYR 62 77.778 6.617 0.009
9 HB2 TYR 62 HG2 TYR 62 77.423 4.934 -0.331
No H/Q in entry = 9
Start of MODEL 24
1 H ASP 63 H ASP 63 80.612 6.289 2.340
2 HA ASP 63 HB1 ASP 63 79.805 4.773 4.551
3 HB3 ASP 63 HG3 ASP 63 80.188 6.934 5.798
4 HB2 ASP 63 HG2 ASP 63 80.281 7.747 4.237
No H/Q in entry = 4
Start of MODEL 24
1 H TYR 64 H TYR 64 78.025 7.434 2.975
2 HD1 TYR 64 HD2 TYR 64 74.140 9.835 3.861
3 HD2 TYR 64 HE1 TYR 64 75.537 8.313 7.661
4 HE1 TYR 64 HE2 TYR 64 72.021 10.579 4.937
5 HE2 TYR 64 HH TYR 64 73.415 9.063 8.733
6 HH TYR 64 HXT TYR 64 71.616 10.976 8.133
7 HA TYR 64 HB1 TYR 64 75.531 6.669 4.386
8 HB3 TYR 64 HG3 TYR 64 76.751 9.433 4.573
9 HB2 TYR 64 HG2 TYR 64 76.941 8.217 5.817
No H/Q in entry = 9
Start of MODEL 24
1 H ILE 65 H ILE 65 73.898 6.853 2.897
2 HB ILE 65 HG12 ILE 65 72.991 6.311 0.510
3 HG12 ILE 65 HG13 ILE 65 75.353 7.797 -0.702
4 HG13 ILE 65 HG21 ILE 65 75.473 6.533 0.520
5 HG21 ILE 65 HG22 ILE 65 73.045 8.752 -1.297
6 HG22 ILE 65 HG23 ILE 65 72.737 7.115 -1.877
7 HD11 ILE 65 HD12 ILE 65 74.099 5.105 -1.197
8 HD12 ILE 65 HD13 ILE 65 74.659 6.298 -2.368
9 HG23 ILE 65 HXT ILE 65 71.619 7.876 -0.743
10 HD13 ILE 65 HXT ILE 65 75.825 5.335 -1.465
11 HA ILE 65 HB1 ILE 65 74.025 9.140 0.949
No H/Q in entry = 11
Start of MODEL 24
1 H LEU 66 H LEU 66 72.327 10.505 1.213
2 HD11 LEU 66 HD12 LEU 66 69.838 11.583 4.833
3 HD12 LEU 66 HD13 LEU 66 68.199 12.233 4.871
4 HD13 LEU 66 HD21 LEU 66 68.494 10.623 4.212
5 HD21 LEU 66 HD22 LEU 66 69.272 14.185 2.052
6 HD22 LEU 66 HD23 LEU 66 68.183 14.100 3.437
7 HG LEU 66 HXT LEU 66 68.295 11.924 2.272
8 HD23 LEU 66 HXT LEU 66 69.929 14.059 3.684
9 HA LEU 66 HB1 LEU 66 69.958 9.691 2.795
10 HB3 LEU 66 HG3 LEU 66 70.678 12.327 1.471
11 HB2 LEU 66 HG2 LEU 66 71.211 11.858 3.085
No H/Q in entry = 11
Start of MODEL 24
1 H PHE 67 H PHE 67 67.925 9.366 1.881
2 HD1 PHE 67 HD2 PHE 67 67.983 8.803 -2.848
3 HD2 PHE 67 HE1 PHE 67 69.175 5.818 0.042
4 HE1 PHE 67 HE2 PHE 67 69.809 8.054 -4.370
5 HE2 PHE 67 HZ PHE 67 71.011 5.078 -1.478
6 HZ PHE 67 HXT PHE 67 71.329 6.197 -3.686
7 HA PHE 67 HB1 PHE 67 67.604 9.825 -1.060
8 HB3 PHE 67 HG3 PHE 67 66.397 7.469 -0.803
9 HB2 PHE 67 HG2 PHE 67 67.475 7.321 0.572
No H/Q in entry = 9
Start of MODEL 24
1 H ARG 68 H ARG 68 65.701 10.888 -1.427
2 HB2 ARG 68 HG2 ARG 68 63.966 12.269 -2.059
3 HB3 ARG 68 HG3 ARG 68 62.568 12.545 -1.020
4 HG2 ARG 68 HD2 ARG 68 64.104 13.238 0.813
5 HG3 ARG 68 HD3 ARG 68 65.468 13.049 -0.290
6 HD2 ARG 68 HD3 ARG 68 64.343 14.713 -1.836
7 HE ARG 68 HH12 ARG 68 65.925 15.165 0.398
8 HH11 ARG 68 HH21 ARG 68 63.336 16.948 -1.143
9 HH12 ARG 68 HH22 ARG 68 63.949 18.478 -0.620
10 HD3 ARG 68 HXT ARG 68 63.167 15.014 -0.543
11 HH21 ARG 68 HXT ARG 68 66.677 17.165 1.048
12 HH22 ARG 68 H1 ARG 68 65.819 18.602 0.605
13 HA ARG 68 HB1 ARG 68 63.558 10.902 0.618
No H/Q in entry = 13
Start of MODEL 24
1 H GLY 69 H GLY 69 61.382 10.195 0.115
2 HA2 GLY 69 HA3 GLY 69 59.758 8.798 -0.839
3 HA3 GLY 69 HXT GLY 69 61.099 7.776 -1.347
No H/Q in entry = 3
Start of MODEL 24
1 H SER 70 H SER 70 61.056 11.080 -2.468
2 HG SER 70 HXT SER 70 59.986 13.727 -2.995
3 HA SER 70 HB1 SER 70 59.379 10.674 -4.802
4 HB3 SER 70 HG3 SER 70 60.164 12.926 -5.368
5 HB2 SER 70 HG2 SER 70 61.470 12.786 -4.195
No H/Q in entry = 5
Start of MODEL 24
1 H ASP 71 H ASP 71 62.933 10.674 -4.297
2 HA ASP 71 HB1 ASP 71 63.409 10.435 -7.192
3 HB3 ASP 71 HG3 ASP 71 64.842 11.821 -5.760
4 HB2 ASP 71 HG2 ASP 71 65.782 10.530 -6.501
No H/Q in entry = 4
Start of MODEL 24
1 H ILE 72 H ILE 72 63.400 8.262 -4.382
2 HB ILE 72 HG12 ILE 72 63.997 6.238 -3.227
3 HG12 ILE 72 HG13 ILE 72 66.171 5.920 -5.327
4 HG13 ILE 72 HG21 ILE 72 65.891 7.323 -4.308
5 HG21 ILE 72 HG22 ILE 72 63.429 3.908 -4.601
6 HG22 ILE 72 HG23 ILE 72 65.183 3.825 -4.475
7 HD11 ILE 72 HD12 ILE 72 66.643 4.581 -3.261
8 HD12 ILE 72 HD13 ILE 72 67.788 5.891 -3.528
9 HG23 ILE 72 HXT ILE 72 64.201 3.968 -3.020
10 HD13 ILE 72 HXT ILE 72 66.513 6.066 -2.319
11 HA ILE 72 HB1 ILE 72 64.010 6.003 -6.252
No H/Q in entry = 11
Start of MODEL 24
1 H LYS 73 H LYS 73 62.508 4.328 -6.531
2 HB2 LYS 73 HG2 LYS 73 60.731 5.088 -8.360
3 HB3 LYS 73 HG3 LYS 73 60.797 3.343 -8.114
4 HG2 LYS 73 HG3 LYS 73 58.750 3.739 -9.269
5 HG3 LYS 73 HD2 LYS 73 58.293 3.474 -7.586
6 HD2 LYS 73 HD3 LYS 73 58.145 5.880 -7.205
7 HE2 LYS 73 HE3 LYS 73 56.718 5.093 -9.777
8 HE3 LYS 73 HZ1 LYS 73 56.142 4.745 -8.135
9 HZ1 LYS 73 HZ2 LYS 73 56.770 7.452 -9.190
10 HZ2 LYS 73 HZ3 LYS 73 55.203 6.823 -9.000
11 HD3 LYS 73 HXT LYS 73 58.716 6.201 -8.842
12 HZ3 LYS 73 HXT LYS 73 56.177 7.097 -7.639
13 HA LYS 73 HB1 LYS 73 59.722 5.280 -6.049
No H/Q in entry = 13
Start of MODEL 24
1 H ASP 74 H ASP 74 61.880 2.645 -5.240
2 HA ASP 74 HB1 ASP 74 59.586 1.254 -3.949
3 HB3 ASP 74 HG3 ASP 74 61.461 -0.155 -5.872
4 HB2 ASP 74 HG2 ASP 74 59.868 0.447 -6.336
No H/Q in entry = 4
Start of MODEL 24
1 H ILE 75 H ILE 75 60.167 0.460 -2.003
2 HB ILE 75 HG12 ILE 75 62.460 1.960 -0.539
3 HG12 ILE 75 HG13 ILE 75 62.534 -0.068 1.707
4 HG13 ILE 75 HG21 ILE 75 63.937 0.271 0.694
5 HG21 ILE 75 HG22 ILE 75 60.024 1.612 -0.324
6 HG22 ILE 75 HG23 ILE 75 60.306 0.439 0.964
7 HD11 ILE 75 HD12 ILE 75 63.377 2.784 1.297
8 HD12 ILE 75 HD13 ILE 75 62.554 2.050 2.674
9 HG23 ILE 75 HXT ILE 75 60.726 2.135 1.206
10 HD13 ILE 75 HXT ILE 75 64.280 1.781 2.431
11 HA ILE 75 HB1 ILE 75 63.040 -0.237 -1.509
No H/Q in entry = 11
Start of MODEL 24
1 H ARG 76 H ARG 76 63.317 -2.199 -0.448
2 HB2 ARG 76 HG2 ARG 76 62.535 -4.456 -1.523
3 HB3 ARG 76 HG3 ARG 76 61.712 -5.600 -0.464
4 HG2 ARG 76 HD2 ARG 76 60.331 -3.231 -1.753
5 HG3 ARG 76 HD3 ARG 76 60.344 -4.848 -2.450
6 HD2 ARG 76 HD3 ARG 76 59.349 -5.708 -0.289
7 HE ARG 76 HH12 ARG 76 58.043 -4.052 -2.318
8 HH11 ARG 76 HH21 ARG 76 57.527 -5.960 0.572
9 HH12 ARG 76 HH22 ARG 76 55.872 -6.276 0.185
10 HD3 ARG 76 HXT ARG 76 59.148 -4.019 0.214
11 HH21 ARG 76 HXT ARG 76 55.899 -4.487 -2.773
12 HH22 ARG 76 H1 ARG 76 54.958 -5.453 -1.686
13 HA ARG 76 HB1 ARG 76 60.985 -3.492 0.885
No H/Q in entry = 13
Start of MODEL 24
1 H VAL 77 H VAL 77 61.637 -4.586 2.708
2 HB VAL 77 HG12 VAL 77 62.788 -3.916 4.978
3 HG11 VAL 77 HG12 VAL 77 61.715 -6.714 4.578
4 HG12 VAL 77 HG13 VAL 77 61.360 -5.782 6.030
5 HG13 VAL 77 HG21 VAL 77 60.851 -5.182 4.454
6 HG21 VAL 77 HG22 VAL 77 64.260 -6.467 5.673
7 HG22 VAL 77 HG23 VAL 77 64.786 -4.809 5.959
8 HG23 VAL 77 HXT VAL 77 63.435 -5.475 6.874
9 HA VAL 77 HB1 VAL 77 64.512 -4.676 3.371
No H/Q in entry = 9
Start of MODEL 24
1 H VAL 78 H VAL 78 65.691 -6.619 3.741
2 HB VAL 78 HG12 VAL 78 67.364 -8.340 3.466
3 HG11 VAL 78 HG12 VAL 78 66.414 -10.527 1.590
4 HG12 VAL 78 HG13 VAL 78 68.110 -10.146 1.885
5 HG13 VAL 78 HG21 VAL 78 67.099 -10.740 3.202
6 HG21 VAL 78 HG22 VAL 78 66.162 -8.025 0.701
7 HG22 VAL 78 HG23 VAL 78 66.872 -6.768 1.715
8 HG23 VAL 78 HXT VAL 78 67.901 -8.005 0.994
9 HA VAL 78 HB1 VAL 78 64.623 -9.004 2.322
No H/Q in entry = 9
Start of MODEL 24
1 H ASN 79 H ASN 79 64.109 -10.899 3.391
2 HD21 ASN 79 HD22 ASN 79 61.051 -13.874 4.696
3 HD22 ASN 79 HXT ASN 79 61.608 -14.333 3.160
4 HA ASN 79 HB1 ASN 79 64.237 -10.872 6.370
5 HB3 ASN 79 HG3 ASN 79 62.063 -11.180 5.216
6 HB2 ASN 79 HG2 ASN 79 62.489 -12.601 6.164
No H/Q in entry = 6
Start of MODEL 24
1 H ASN 80 H ASN 80 64.737 -13.024 7.416
2 HD21 ASN 80 HD22 ASN 80 67.293 -12.421 10.023
3 HD22 ASN 80 HXT ASN 80 68.344 -11.346 9.234
4 HA ASN 80 HB1 ASN 80 67.036 -14.330 6.023
5 HB3 ASN 80 HG3 ASN 80 67.558 -15.039 8.395
6 HB2 ASN 80 HG2 ASN 80 66.154 -14.108 8.917
No H/Q in entry = 6
Start of MODEL 24
1 H HIS 81 H HIS 81 64.192 -15.026 5.470
2 HD1 HIS 81 HD2 HIS 81 60.647 -17.914 4.199
3 HD2 HIS 81 HE1 HIS 81 61.368 -18.683 8.233
4 HE1 HIS 81 HE2 HIS 81 59.229 -19.921 4.810
5 HA HIS 81 HB1 HIS 81 64.066 -17.803 6.599
6 HB3 HIS 81 HG3 HIS 81 61.936 -16.030 5.377
7 HB2 HIS 81 HG2 HIS 81 62.229 -16.195 7.098
No H/Q in entry = 7
Start of MODEL 24
1 H THR 82 H THR 82 64.207 -19.498 5.163
2 HG1 THR 82 HG21 THR 82 67.203 -19.580 4.047
3 HG21 THR 82 HG22 THR 82 65.241 -21.332 1.245
4 HG22 THR 82 HG23 THR 82 66.125 -19.836 0.941
5 HG23 THR 82 HXT THR 82 66.957 -21.226 1.637
6 HA THR 82 HB1 THR 82 64.170 -18.863 2.225
7 HB THR 82 HG12 THR 82 65.718 -21.017 3.699
No H/Q in entry = 7
Start of MODEL 24
1 H LEU 83 H LEU 83 62.950 -20.242 0.918
2 HD11 LEU 83 HD12 LEU 83 61.064 -18.739 0.442
3 HD12 LEU 83 HD13 LEU 83 59.731 -18.180 1.454
4 HD13 LEU 83 HD21 LEU 83 61.098 -19.025 2.182
5 HD21 LEU 83 HD22 LEU 83 58.775 -19.926 -0.773
6 HD22 LEU 83 HD23 LEU 83 57.850 -20.944 0.332
7 HG LEU 83 HXT LEU 83 59.468 -20.709 2.065
8 HD23 LEU 83 HXT LEU 83 57.962 -19.207 0.619
9 HA LEU 83 HB1 LEU 83 61.124 -22.133 2.309
10 HB3 LEU 83 HG3 LEU 83 60.095 -22.054 -0.077
11 HB2 LEU 83 HG2 LEU 83 61.241 -20.744 -0.371
No H/Q in entry = 11
Start of MODEL 24
1 HB2 PRO 84 HG2 PRO 84 61.056 -27.377 0.188
2 HB3 PRO 84 HG3 PRO 84 61.630 -27.075 1.839
3 HG2 PRO 84 HD2 PRO 84 59.309 -25.909 0.400
4 HG3 PRO 84 HD3 PRO 84 59.475 -26.358 2.104
5 HD2 PRO 84 HD3 PRO 84 59.602 -23.790 1.212
6 HD3 PRO 84 HXT PRO 84 60.437 -24.363 2.673
7 HA PRO 84 HB1 PRO 84 63.184 -25.729 0.798
No H/Q in entry = 7
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