Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
639080 | 6r9z RC | 27863 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 1H1 ACE 1 4.258 -0.291 -1.519
2 H2 ACE 1 2H1 ACE 1 3.961 0.610 -3.026
3 H3 ACE 1 3H1 ACE 1 5.041 1.286 -1.783
4 H GLU 2 H GLU 2 3.299 2.986 -2.469
5 HA GLU 2 HA GLU 2 1.039 2.777 -0.593
6 HB2 GLU 2 2HB GLU 2 1.336 5.075 0.065
7 HB3 GLU 2 3HB GLU 2 2.853 4.220 0.306
8 HG2 GLU 2 2HG GLU 2 3.364 5.129 -2.108
9 HG3 GLU 2 3HG GLU 2 2.156 6.332 -1.661
10 H VAL 3 H VAL 3 -0.460 4.834 -1.060
11 HA VAL 3 HA VAL 3 -0.698 5.360 -3.912
12 HB VAL 3 HB VAL 3 -1.962 3.258 -3.559
13 HG11 VAL 3 1HG1 VAL 3 -2.721 4.390 -1.177
14 HG12 VAL 3 2HG1 VAL 3 -4.183 4.526 -2.157
15 HG13 VAL 3 3HG1 VAL 3 -3.432 2.950 -1.904
16 HG21 VAL 3 1HG2 VAL 3 -3.953 3.947 -4.719
17 HG22 VAL 3 2HG2 VAL 3 -3.762 5.605 -4.150
18 HG23 VAL 3 3HG2 VAL 3 -2.600 4.924 -5.289
19 H ASN 4 H ASN 4 -1.650 7.289 -4.356
20 HA ASN 4 HA ASN 4 -3.037 8.697 -2.190
21 HB2 ASN 4 2HB ASN 4 -1.728 10.789 -3.147
22 HB3 ASN 4 3HB ASN 4 -1.017 9.765 -1.903
23 HD21 ASN 4 1HD2 ASN 4 0.784 8.610 -2.348
24 HD22 ASN 4 2HD2 ASN 4 1.627 8.677 -3.854
25 HA PRO 5 HA PRO 5 -5.876 10.020 -5.261
26 HB2 PRO 5 2HB PRO 5 -6.482 12.539 -4.449
27 HB3 PRO 5 3HB PRO 5 -7.034 11.094 -3.592
28 HG2 PRO 5 2HG PRO 5 -4.727 12.898 -2.973
29 HG3 PRO 5 3HG PRO 5 -5.918 12.186 -1.869
30 HD2 PRO 5 2HD PRO 5 -3.428 11.167 -2.181
31 HD3 PRO 5 3HD PRO 5 -4.837 10.151 -1.815
32 HA PRO 6 HA PRO 6 -4.011 12.380 -8.468
33 HB2 PRO 6 2HB PRO 6 -6.127 13.673 -9.572
34 HB3 PRO 6 3HB PRO 6 -5.861 11.935 -9.755
35 HG2 PRO 6 2HG PRO 6 -7.681 13.386 -7.872
36 HG3 PRO 6 3HG PRO 6 -7.993 11.924 -8.827
37 HD2 PRO 6 2HD PRO 6 -7.375 11.839 -6.192
38 HD3 PRO 6 3HD PRO 6 -6.900 10.559 -7.326
39 H VAL 7 H VAL 7 -2.669 13.958 -7.769
40 HA VAL 7 HA VAL 7 -3.845 16.605 -7.297
41 HB VAL 7 HB VAL 7 -1.617 15.455 -5.613
42 HG11 VAL 7 1HG1 VAL 7 -2.816 17.735 -4.452
43 HG12 VAL 7 2HG1 VAL 7 -1.171 17.560 -5.067
44 HG13 VAL 7 3HG1 VAL 7 -2.457 18.129 -6.132
45 HG21 VAL 7 1HG2 VAL 7 -3.376 14.375 -4.665
46 HG22 VAL 7 2HG2 VAL 7 -3.553 15.924 -3.840
47 HG23 VAL 7 3HG2 VAL 7 -4.555 15.553 -5.244
48 HA PRO 8 HA PRO 8 -0.366 16.648 -10.392
49 HB2 PRO 8 2HB PRO 8 -1.722 18.077 -12.260
50 HB3 PRO 8 3HB PRO 8 -1.803 16.314 -12.153
51 HG2 PRO 8 2HG PRO 8 -3.733 18.364 -11.137
52 HG3 PRO 8 3HG PRO 8 -4.062 16.836 -11.973
53 HD2 PRO 8 2HD PRO 8 -4.286 17.104 -9.288
54 HD3 PRO 8 3HD PRO 8 -3.790 15.583 -10.058
55 HN1 NH2 9 HN1 NH2 9 1.129 18.112 -9.850
56 HN2 NH2 9 HN2 NH2 9 0.855 19.803 -9.594
Start of MODEL 2
1 H1 ACE 1 1H1 ACE 1 0.000 0.000 0.000
2 H2 ACE 1 2H1 ACE 1 0.890 0.000 -1.542
3 H3 ACE 1 3H1 ACE 1 1.780 -0.000 0.000
4 H GLU 2 H GLU 2 2.622 1.842 -1.514
5 HA GLU 2 HA GLU 2 1.669 4.290 -0.296
6 HB2 GLU 2 2HB GLU 2 4.050 3.548 -1.963
7 HB3 GLU 2 3HB GLU 2 3.630 5.238 -1.724
8 HG2 GLU 2 2HG GLU 2 4.064 5.161 0.550
9 HG3 GLU 2 3HG GLU 2 3.925 3.405 0.617
10 H VAL 3 H VAL 3 -0.174 5.021 -1.202
11 HA VAL 3 HA VAL 3 -0.054 5.781 -4.026
12 HB VAL 3 HB VAL 3 -1.280 3.686 -4.045
13 HG11 VAL 3 1HG1 VAL 3 -2.003 3.802 -1.660
14 HG12 VAL 3 2HG1 VAL 3 -3.245 4.958 -2.146
15 HG13 VAL 3 3HG1 VAL 3 -3.275 3.311 -2.778
16 HG21 VAL 3 1HG2 VAL 3 -3.230 4.405 -5.203
17 HG22 VAL 3 2HG2 VAL 3 -3.264 5.936 -4.327
18 HG23 VAL 3 3HG2 VAL 3 -1.982 5.616 -5.495
19 H ASN 4 H ASN 4 -1.024 7.700 -4.489
20 HA ASN 4 HA ASN 4 -2.493 9.025 -2.307
21 HB2 ASN 4 2HB ASN 4 -1.437 11.165 -3.450
22 HB3 ASN 4 3HB ASN 4 -0.546 10.252 -2.236
23 HD21 ASN 4 1HD2 ASN 4 -1.055 10.476 -5.728
24 HD22 ASN 4 2HD2 ASN 4 0.561 10.052 -6.167
25 HA PRO 5 HA PRO 5 -5.674 9.998 -5.166
26 HB2 PRO 5 2HB PRO 5 -6.405 12.497 -4.396
27 HB3 PRO 5 3HB PRO 5 -6.768 11.054 -3.443
28 HG2 PRO 5 2HG PRO 5 -4.565 13.051 -3.093
29 HG3 PRO 5 3HG PRO 5 -5.600 12.300 -1.864
30 HD2 PRO 5 2HD PRO 5 -3.073 11.457 -2.354
31 HD3 PRO 5 3HD PRO 5 -4.363 10.355 -1.830
32 HA PRO 6 HA PRO 6 -4.275 12.350 -8.607
33 HB2 PRO 6 2HB PRO 6 -6.571 13.432 -9.570
34 HB3 PRO 6 3HB PRO 6 -6.187 11.713 -9.711
35 HG2 PRO 6 2HG PRO 6 -7.950 13.104 -7.731
36 HG3 PRO 6 3HG PRO 6 -8.226 11.583 -8.601
37 HD2 PRO 6 2HD PRO 6 -7.384 11.658 -6.028
38 HD3 PRO 6 3HD PRO 6 -6.907 10.369 -7.152
39 H VAL 7 H VAL 7 -3.025 13.914 -7.457
40 HA VAL 7 HA VAL 7 -4.268 16.577 -7.444
41 HB VAL 7 HB VAL 7 -2.340 15.637 -5.320
42 HG11 VAL 7 1HG1 VAL 7 -4.067 18.096 -5.296
43 HG12 VAL 7 2HG1 VAL 7 -2.679 17.716 -4.275
44 HG13 VAL 7 3HG1 VAL 7 -2.443 18.094 -5.982
45 HG21 VAL 7 1HG2 VAL 7 -4.370 14.451 -4.952
46 HG22 VAL 7 2HG2 VAL 7 -4.341 15.794 -3.809
47 HG23 VAL 7 3HG2 VAL 7 -5.341 15.892 -5.258
48 HA PRO 8 HA PRO 8 -0.319 16.479 -9.892
49 HB2 PRO 8 2HB PRO 8 -1.329 17.830 -12.019
50 HB3 PRO 8 3HB PRO 8 -1.451 16.075 -11.850
51 HG2 PRO 8 2HG PRO 8 -3.493 18.182 -11.257
52 HG3 PRO 8 3HG PRO 8 -3.702 16.619 -12.068
53 HD2 PRO 8 2HD PRO 8 -4.361 17.012 -9.471
54 HD3 PRO 8 3HD PRO 8 -3.766 15.454 -10.080
55 HN1 NH2 9 HN1 NH2 9 0.574 17.914 -8.320
56 HN2 NH2 9 HN2 NH2 9 0.480 19.633 -8.512
Start of MODEL 3
1 H1 ACE 1 1H1 ACE 1 1.381 0.507 -3.181
2 H2 ACE 1 2H1 ACE 1 1.947 0.440 -1.495
3 H3 ACE 1 3H1 ACE 1 0.260 0.885 -1.851
4 H GLU 2 H GLU 2 1.323 2.586 -0.311
5 HA GLU 2 HA GLU 2 1.689 4.820 -0.046
6 HB2 GLU 2 2HB GLU 2 3.819 3.991 -1.989
7 HB3 GLU 2 3HB GLU 2 3.670 5.675 -1.506
8 HG2 GLU 2 2HG GLU 2 3.911 3.457 0.497
9 HG3 GLU 2 3HG GLU 2 5.318 4.236 -0.224
10 H VAL 3 H VAL 3 -0.323 4.013 -2.002
11 HA VAL 3 HA VAL 3 -0.220 5.626 -4.313
12 HB VAL 3 HB VAL 3 -2.623 5.243 -4.506
13 HG11 VAL 3 1HG1 VAL 3 -1.203 3.465 -5.256
14 HG12 VAL 3 2HG1 VAL 3 -1.038 2.840 -3.614
15 HG13 VAL 3 3HG1 VAL 3 -2.595 2.754 -4.439
16 HG21 VAL 3 1HG2 VAL 3 -2.394 4.110 -1.720
17 HG22 VAL 3 2HG2 VAL 3 -3.293 5.548 -2.205
18 HG23 VAL 3 3HG2 VAL 3 -3.811 3.956 -2.758
19 H ASN 4 H ASN 4 -2.155 7.269 -4.644
20 HA ASN 4 HA ASN 4 -2.771 8.945 -2.409
21 HB2 ASN 4 2HB ASN 4 -1.596 10.955 -3.667
22 HB3 ASN 4 3HB ASN 4 -0.709 9.964 -2.513
23 HD21 ASN 4 1HD2 ASN 4 1.278 9.726 -3.227
24 HD22 ASN 4 2HD2 ASN 4 1.736 9.322 -4.843
25 HA PRO 5 HA PRO 5 -6.056 10.220 -5.022
26 HB2 PRO 5 2HB PRO 5 -6.462 12.788 -4.238
27 HB3 PRO 5 3HB PRO 5 -6.893 11.397 -3.235
28 HG2 PRO 5 2HG PRO 5 -4.476 13.157 -3.094
29 HG3 PRO 5 3HG PRO 5 -5.480 12.527 -1.775
30 HD2 PRO 5 2HD PRO 5 -3.101 11.424 -2.450
31 HD3 PRO 5 3HD PRO 5 -4.451 10.465 -1.808
32 HA PRO 6 HA PRO 6 -4.704 12.387 -8.602
33 HB2 PRO 6 2HB PRO 6 -6.947 13.694 -9.396
34 HB3 PRO 6 3HB PRO 6 -6.754 11.943 -9.540
35 HG2 PRO 6 2HG PRO 6 -8.200 13.524 -7.449
36 HG3 PRO 6 3HG PRO 6 -8.699 12.034 -8.269
37 HD2 PRO 6 2HD PRO 6 -7.650 12.041 -5.773
38 HD3 PRO 6 3HD PRO 6 -7.400 10.701 -6.910
39 H VAL 7 H VAL 7 -3.236 13.799 -7.435
40 HA VAL 7 HA VAL 7 -4.147 16.591 -7.499
41 HB VAL 7 HB VAL 7 -2.412 15.433 -5.314
42 HG11 VAL 7 1HG1 VAL 7 -3.195 18.187 -6.092
43 HG12 VAL 7 2HG1 VAL 7 -3.122 17.811 -4.370
44 HG13 VAL 7 3HG1 VAL 7 -1.694 17.593 -5.383
45 HG21 VAL 7 1HG2 VAL 7 -4.303 15.866 -3.828
46 HG22 VAL 7 2HG2 VAL 7 -5.270 16.395 -5.205
47 HG23 VAL 7 3HG2 VAL 7 -4.739 14.717 -5.093
48 HA PRO 8 HA PRO 8 -0.219 15.930 -9.897
49 HB2 PRO 8 2HB PRO 8 -1.044 17.314 -12.083
50 HB3 PRO 8 3HB PRO 8 -1.376 15.593 -11.854
51 HG2 PRO 8 2HG PRO 8 -3.157 17.948 -11.361
52 HG3 PRO 8 3HG PRO 8 -3.543 16.393 -12.119
53 HD2 PRO 8 2HD PRO 8 -4.172 16.955 -9.546
54 HD3 PRO 8 3HD PRO 8 -3.763 15.316 -10.092
55 HN1 NH2 9 HN1 NH2 9 0.955 17.280 -8.509
56 HN2 NH2 9 HN2 NH2 9 1.019 18.999 -8.709
Start of MODEL 4
1 H1 ACE 1 1H1 ACE 1 2.420 0.585 -3.984
2 H2 ACE 1 2H1 ACE 1 3.391 1.930 -4.629
3 H3 ACE 1 3H1 ACE 1 3.840 1.170 -3.084
4 H GLU 2 H GLU 2 3.701 3.682 -2.833
5 HA GLU 2 HA GLU 2 1.746 4.207 -0.938
6 HB2 GLU 2 2HB GLU 2 3.544 5.977 -2.563
7 HB3 GLU 2 3HB GLU 2 2.350 6.682 -1.482
8 HG2 GLU 2 2HG GLU 2 3.342 5.411 0.386
9 HG3 GLU 2 3HG GLU 2 4.582 4.816 -0.716
10 H VAL 3 H VAL 3 -0.370 4.439 -1.146
11 HA VAL 3 HA VAL 3 -1.506 5.186 -3.727
12 HB VAL 3 HB VAL 3 -2.883 4.256 -1.203
13 HG11 VAL 3 1HG1 VAL 3 -4.707 3.768 -3.017
14 HG12 VAL 3 2HG1 VAL 3 -4.556 5.379 -2.313
15 HG13 VAL 3 3HG1 VAL 3 -3.874 5.044 -3.904
16 HG21 VAL 3 1HG2 VAL 3 -2.057 2.263 -1.795
17 HG22 VAL 3 2HG2 VAL 3 -3.223 2.317 -3.118
18 HG23 VAL 3 3HG2 VAL 3 -1.560 2.842 -3.386
19 H ASN 4 H ASN 4 -2.481 7.080 -4.144
20 HA ASN 4 HA ASN 4 -3.430 8.799 -2.031
21 HB2 ASN 4 2HB ASN 4 -1.970 10.718 -3.121
22 HB3 ASN 4 3HB ASN 4 -1.324 9.706 -1.832
23 HD21 ASN 4 1HD2 ASN 4 0.558 8.775 -2.182
24 HD22 ASN 4 2HD2 ASN 4 1.301 8.536 -3.724
25 HA PRO 5 HA PRO 5 -6.206 10.190 -5.130
26 HB2 PRO 5 2HB PRO 5 -6.584 12.791 -4.449
27 HB3 PRO 5 3HB PRO 5 -7.239 11.446 -3.507
28 HG2 PRO 5 2HG PRO 5 -4.777 13.080 -3.021
29 HG3 PRO 5 3HG PRO 5 -6.003 12.531 -1.862
30 HD2 PRO 5 2HD PRO 5 -3.613 11.290 -2.153
31 HD3 PRO 5 3HD PRO 5 -5.095 10.417 -1.712
32 HA PRO 6 HA PRO 6 -4.211 12.207 -8.489
33 HB2 PRO 6 2HB PRO 6 -6.232 13.613 -9.632
34 HB3 PRO 6 3HB PRO 6 -6.116 11.852 -9.723
35 HG2 PRO 6 2HG PRO 6 -7.773 13.550 -7.897
36 HG3 PRO 6 3HG PRO 6 -8.224 12.071 -8.765
37 HD2 PRO 6 2HD PRO 6 -7.566 12.076 -6.138
38 HD3 PRO 6 3HD PRO 6 -7.220 10.701 -7.206
39 H VAL 7 H VAL 7 -2.778 13.604 -7.407
40 HA VAL 7 HA VAL 7 -3.679 16.407 -7.292
41 HB VAL 7 HB VAL 7 -1.649 15.173 -5.429
42 HG11 VAL 7 1HG1 VAL 7 -2.917 17.898 -5.597
43 HG12 VAL 7 2HG1 VAL 7 -2.052 17.319 -4.172
44 HG13 VAL 7 3HG1 VAL 7 -1.206 17.487 -5.710
45 HG21 VAL 7 1HG2 VAL 7 -4.593 15.616 -5.143
46 HG22 VAL 7 2HG2 VAL 7 -3.624 14.215 -4.688
47 HG23 VAL 7 3HG2 VAL 7 -3.541 15.693 -3.730
48 HA PRO 8 HA PRO 8 -0.069 15.957 -10.185
49 HB2 PRO 8 2HB PRO 8 -1.152 17.487 -12.149
50 HB3 PRO 8 3HB PRO 8 -1.455 15.751 -12.006
51 HG2 PRO 8 2HG PRO 8 -3.162 18.050 -11.132
52 HG3 PRO 8 3HG PRO 8 -3.638 16.549 -11.949
53 HD2 PRO 8 2HD PRO 8 -3.950 16.920 -9.285
54 HD3 PRO 8 3HD PRO 8 -3.610 15.328 -9.994
55 HN1 NH2 9 HN1 NH2 9 1.351 17.208 -9.003
56 HN2 NH2 9 HN2 NH2 9 1.358 18.940 -9.028
Start of MODEL 5
1 H1 ACE 1 1H1 ACE 1 2.783 0.836 -3.713
2 H2 ACE 1 2H1 ACE 1 3.005 0.560 -1.969
3 H3 ACE 1 3H1 ACE 1 1.366 0.610 -2.660
4 H GLU 2 H GLU 2 1.540 2.160 -0.670
5 HA GLU 2 HA GLU 2 1.156 4.300 0.012
6 HB2 GLU 2 2HB GLU 2 3.761 4.497 -1.461
7 HB3 GLU 2 3HB GLU 2 3.017 5.942 -0.791
8 HG2 GLU 2 2HG GLU 2 3.388 3.555 0.950
9 HG3 GLU 2 3HG GLU 2 4.770 4.585 0.582
10 H VAL 3 H VAL 3 -0.526 3.699 -1.971
11 HA VAL 3 HA VAL 3 -0.420 5.376 -4.245
12 HB VAL 3 HB VAL 3 -1.836 3.358 -4.127
13 HG11 VAL 3 1HG1 VAL 3 -2.578 4.052 -1.705
14 HG12 VAL 3 2HG1 VAL 3 -3.889 4.855 -2.571
15 HG13 VAL 3 3HG1 VAL 3 -3.650 3.116 -2.746
16 HG21 VAL 3 1HG2 VAL 3 -2.277 5.466 -5.598
17 HG22 VAL 3 2HG2 VAL 3 -3.479 4.177 -5.526
18 HG23 VAL 3 3HG2 VAL 3 -3.703 5.646 -4.576
19 H ASN 4 H ASN 4 -1.259 7.374 -4.651
20 HA ASN 4 HA ASN 4 -2.470 8.801 -2.376
21 HB2 ASN 4 2HB ASN 4 -1.313 10.853 -3.583
22 HB3 ASN 4 3HB ASN 4 -0.426 9.859 -2.431
23 HD21 ASN 4 1HD2 ASN 4 1.522 9.338 -3.073
24 HD22 ASN 4 2HD2 ASN 4 2.033 9.097 -4.706
25 HA PRO 5 HA PRO 5 -5.738 10.059 -5.019
26 HB2 PRO 5 2HB PRO 5 -6.202 12.606 -4.200
27 HB3 PRO 5 3HB PRO 5 -6.624 11.191 -3.227
28 HG2 PRO 5 2HG PRO 5 -4.241 12.992 -3.019
29 HG3 PRO 5 3HG PRO 5 -5.254 12.323 -1.726
30 HD2 PRO 5 2HD PRO 5 -2.845 11.274 -2.382
31 HD3 PRO 5 3HD PRO 5 -4.186 10.281 -1.777
32 HA PRO 6 HA PRO 6 -4.371 12.309 -8.542
33 HB2 PRO 6 2HB PRO 6 -6.626 13.588 -9.350
34 HB3 PRO 6 3HB PRO 6 -6.398 11.843 -9.519
35 HG2 PRO 6 2HG PRO 6 -7.904 13.363 -7.425
36 HG3 PRO 6 3HG PRO 6 -8.364 11.878 -8.277
37 HD2 PRO 6 2HD PRO 6 -7.353 11.863 -5.765
38 HD3 PRO 6 3HD PRO 6 -7.061 10.547 -6.920
39 H VAL 7 H VAL 7 -2.914 13.764 -7.528
40 HA VAL 7 HA VAL 7 -3.981 16.497 -7.242
41 HB VAL 7 HB VAL 7 -1.671 15.369 -5.658
42 HG11 VAL 7 1HG1 VAL 7 -1.243 17.581 -5.532
43 HG12 VAL 7 2HG1 VAL 7 -2.894 18.035 -5.958
44 HG13 VAL 7 3HG1 VAL 7 -2.512 17.540 -4.308
45 HG21 VAL 7 1HG2 VAL 7 -4.557 15.268 -5.196
46 HG22 VAL 7 2HG2 VAL 7 -3.257 14.330 -4.460
47 HG23 VAL 7 3HG2 VAL 7 -3.638 15.940 -3.849
48 HA PRO 8 HA PRO 8 -0.682 16.344 -10.524
49 HB2 PRO 8 2HB PRO 8 -2.093 17.778 -12.347
50 HB3 PRO 8 3HB PRO 8 -2.229 16.022 -12.191
51 HG2 PRO 8 2HG PRO 8 -4.024 18.164 -11.120
52 HG3 PRO 8 3HG PRO 8 -4.454 16.630 -11.897
53 HD2 PRO 8 2HD PRO 8 -4.514 16.969 -9.211
54 HD3 PRO 8 3HD PRO 8 -4.117 15.414 -9.968
55 HN1 NH2 9 HN1 NH2 9 0.348 17.742 -8.849
56 HN2 NH2 9 HN2 NH2 9 0.355 19.456 -9.097
Start of MODEL 6
1 H1 ACE 1 1H1 ACE 1 1.663 -0.781 -0.886
2 H2 ACE 1 2H1 ACE 1 2.588 0.067 -2.148
3 H3 ACE 1 3H1 ACE 1 3.216 -0.011 -0.484
4 H GLU 2 H GLU 2 3.216 2.374 -1.325
5 HA GLU 2 HA GLU 2 1.091 3.675 0.152
6 HB2 GLU 2 2HB GLU 2 2.416 5.693 -0.076
7 HB3 GLU 2 3HB GLU 2 3.443 4.366 0.446
8 HG2 GLU 2 2HG GLU 2 4.752 5.349 -1.152
9 HG3 GLU 2 3HG GLU 2 3.934 4.105 -2.096
10 H VAL 3 H VAL 3 -0.456 5.016 -0.665
11 HA VAL 3 HA VAL 3 -0.464 5.601 -3.529
12 HB VAL 3 HB VAL 3 -2.817 4.308 -2.144
13 HG11 VAL 3 1HG1 VAL 3 -2.414 5.160 -5.009
14 HG12 VAL 3 2HG1 VAL 3 -3.805 4.264 -4.396
15 HG13 VAL 3 3HG1 VAL 3 -3.498 5.909 -3.837
16 HG21 VAL 3 1HG2 VAL 3 -2.318 2.519 -3.944
17 HG22 VAL 3 2HG2 VAL 3 -0.704 3.229 -3.972
18 HG23 VAL 3 3HG2 VAL 3 -1.341 2.546 -2.476
19 H ASN 4 H ASN 4 -1.511 7.477 -4.075
20 HA ASN 4 HA ASN 4 -2.948 8.912 -1.957
21 HB2 ASN 4 2HB ASN 4 -1.713 11.008 -2.998
22 HB3 ASN 4 3HB ASN 4 -0.963 10.054 -1.722
23 HD21 ASN 4 1HD2 ASN 4 -1.003 10.739 -5.141
24 HD22 ASN 4 2HD2 ASN 4 0.556 10.080 -5.490
25 HA PRO 5 HA PRO 5 -5.844 10.031 -5.057
26 HB2 PRO 5 2HB PRO 5 -6.527 12.557 -4.333
27 HB3 PRO 5 3HB PRO 5 -7.027 11.128 -3.422
28 HG2 PRO 5 2HG PRO 5 -4.776 13.026 -2.883
29 HG3 PRO 5 3HG PRO 5 -5.938 12.317 -1.746
30 HD2 PRO 5 2HD PRO 5 -3.419 11.368 -2.036
31 HD3 PRO 5 3HD PRO 5 -4.792 10.321 -1.625
32 HA PRO 6 HA PRO 6 -4.071 12.330 -8.360
33 HB2 PRO 6 2HB PRO 6 -6.233 13.514 -9.497
34 HB3 PRO 6 3HB PRO 6 -5.913 11.780 -9.618
35 HG2 PRO 6 2HG PRO 6 -7.769 13.239 -7.778
36 HG3 PRO 6 3HG PRO 6 -8.039 11.735 -8.677
37 HD2 PRO 6 2HD PRO 6 -7.406 11.766 -6.044
38 HD3 PRO 6 3HD PRO 6 -6.895 10.460 -7.134
39 H VAL 7 H VAL 7 -2.776 13.956 -7.654
40 HA VAL 7 HA VAL 7 -3.996 16.605 -7.410
41 HB VAL 7 HB VAL 7 -1.959 15.579 -5.430
42 HG11 VAL 7 1HG1 VAL 7 -2.761 18.210 -6.197
43 HG12 VAL 7 2HG1 VAL 7 -3.270 17.911 -4.535
44 HG13 VAL 7 3HG1 VAL 7 -1.576 17.720 -4.987
45 HG21 VAL 7 1HG2 VAL 7 -4.035 16.096 -3.880
46 HG22 VAL 7 2HG2 VAL 7 -4.929 15.729 -5.355
47 HG23 VAL 7 3HG2 VAL 7 -3.840 14.528 -4.663
48 HA PRO 8 HA PRO 8 -0.212 16.484 -10.118
49 HB2 PRO 8 2HB PRO 8 -1.359 17.811 -12.190
50 HB3 PRO 8 3HB PRO 8 -1.463 16.057 -11.998
51 HG2 PRO 8 2HG PRO 8 -3.474 18.161 -11.297
52 HG3 PRO 8 3HG PRO 8 -3.725 16.590 -12.081
53 HD2 PRO 8 2HD PRO 8 -4.223 17.004 -9.451
54 HD3 PRO 8 3HD PRO 8 -3.660 15.443 -10.083
55 HN1 NH2 9 HN1 NH2 9 1.201 17.962 -9.402
56 HN2 NH2 9 HN2 NH2 9 0.924 19.669 -9.305
Start of MODEL 7
1 H1 ACE 1 1H1 ACE 1 1.698 0.534 -3.059
2 H2 ACE 1 2H1 ACE 1 1.692 0.261 -1.300
3 H3 ACE 1 3H1 ACE 1 0.199 0.764 -2.127
4 H GLU 2 H GLU 2 0.662 2.258 -0.140
5 HA GLU 2 HA GLU 2 0.889 4.429 0.507
6 HB2 GLU 2 2HB GLU 2 3.515 3.819 -0.799
7 HB3 GLU 2 3HB GLU 2 3.186 5.448 -0.226
8 HG2 GLU 2 2HG GLU 2 4.293 4.457 1.549
9 HG3 GLU 2 3HG GLU 2 2.595 4.337 2.004
10 H VAL 3 H VAL 3 -0.407 3.864 -2.070
11 HA VAL 3 HA VAL 3 0.297 5.761 -4.023
12 HB VAL 3 HB VAL 3 -1.926 5.418 -4.959
13 HG11 VAL 3 1HG1 VAL 3 -0.003 3.429 -4.489
14 HG12 VAL 3 2HG1 VAL 3 -1.573 2.659 -4.251
15 HG13 VAL 3 3HG1 VAL 3 -1.212 3.478 -5.772
16 HG21 VAL 3 1HG2 VAL 3 -3.460 3.804 -3.724
17 HG22 VAL 3 2HG2 VAL 3 -2.487 4.147 -2.293
18 HG23 VAL 3 3HG2 VAL 3 -3.363 5.450 -3.097
19 H ASN 4 H ASN 4 -1.238 7.563 -4.702
20 HA ASN 4 HA ASN 4 -2.370 8.988 -2.406
21 HB2 ASN 4 2HB ASN 4 -1.291 11.101 -3.579
22 HB3 ASN 4 3HB ASN 4 -0.379 10.145 -2.414
23 HD21 ASN 4 1HD2 ASN 4 1.639 9.990 -3.050
24 HD22 ASN 4 2HD2 ASN 4 2.180 9.681 -4.661
25 HA PRO 5 HA PRO 5 -5.641 10.102 -5.110
26 HB2 PRO 5 2HB PRO 5 -6.246 12.617 -4.288
27 HB3 PRO 5 3HB PRO 5 -6.617 11.179 -3.330
28 HG2 PRO 5 2HG PRO 5 -4.330 13.092 -3.065
29 HG3 PRO 5 3HG PRO 5 -5.335 12.366 -1.797
30 HD2 PRO 5 2HD PRO 5 -2.865 11.440 -2.408
31 HD3 PRO 5 3HD PRO 5 -4.168 10.379 -1.835
32 HA PRO 6 HA PRO 6 -4.315 12.435 -8.592
33 HB2 PRO 6 2HB PRO 6 -6.612 13.608 -9.440
34 HB3 PRO 6 3HB PRO 6 -6.296 11.877 -9.613
35 HG2 PRO 6 2HG PRO 6 -7.917 13.310 -7.544
36 HG3 PRO 6 3HG PRO 6 -8.287 11.809 -8.412
37 HD2 PRO 6 2HD PRO 6 -7.327 11.829 -5.880
38 HD3 PRO 6 3HD PRO 6 -6.948 10.535 -7.034
39 H VAL 7 H VAL 7 -2.938 13.986 -7.693
40 HA VAL 7 HA VAL 7 -4.165 16.634 -7.274
41 HB VAL 7 HB VAL 7 -1.685 15.622 -5.880
42 HG11 VAL 7 1HG1 VAL 7 -1.368 17.849 -5.725
43 HG12 VAL 7 2HG1 VAL 7 -3.064 18.220 -6.046
44 HG13 VAL 7 3HG1 VAL 7 -2.559 17.721 -4.431
45 HG21 VAL 7 1HG2 VAL 7 -4.555 15.698 -5.024
46 HG22 VAL 7 2HG2 VAL 7 -3.390 14.382 -4.888
47 HG23 VAL 7 3HG2 VAL 7 -3.251 15.794 -3.840
48 HA PRO 8 HA PRO 8 -1.102 16.785 -10.777
49 HB2 PRO 8 2HB PRO 8 -2.732 18.157 -12.460
50 HB3 PRO 8 3HB PRO 8 -2.737 16.393 -12.343
51 HG2 PRO 8 2HG PRO 8 -4.595 18.380 -11.093
52 HG3 PRO 8 3HG PRO 8 -4.973 16.837 -11.880
53 HD2 PRO 8 2HD PRO 8 -4.866 17.112 -9.188
54 HD3 PRO 8 3HD PRO 8 -4.418 15.605 -10.013
55 HN1 NH2 9 HN1 NH2 9 0.391 18.279 -10.276
56 HN2 NH2 9 HN2 NH2 9 0.094 19.970 -10.047
Start of MODEL 8
1 H1 ACE 1 1H1 ACE 1 6.400 3.860 -0.730
2 H2 ACE 1 2H1 ACE 1 5.750 5.401 -1.337
3 H3 ACE 1 3H1 ACE 1 5.433 4.901 0.342
4 H GLU 2 H GLU 2 3.278 5.534 -0.821
5 HA GLU 2 HA GLU 2 2.098 3.113 -2.000
6 HB2 GLU 2 2HB GLU 2 1.063 4.726 0.325
7 HB3 GLU 2 3HB GLU 2 0.021 3.676 -0.624
8 HG2 GLU 2 2HG GLU 2 1.101 1.747 0.090
9 HG3 GLU 2 3HG GLU 2 2.533 2.630 0.616
10 H VAL 3 H VAL 3 -0.265 3.691 -2.731
11 HA VAL 3 HA VAL 3 -0.075 5.513 -4.835
12 HB VAL 3 HB VAL 3 -2.528 5.296 -5.046
13 HG11 VAL 3 1HG1 VAL 3 -1.842 3.509 -6.190
14 HG12 VAL 3 2HG1 VAL 3 -0.613 3.112 -4.987
15 HG13 VAL 3 3HG1 VAL 3 -2.274 2.561 -4.767
16 HG21 VAL 3 1HG2 VAL 3 -2.715 3.323 -2.870
17 HG22 VAL 3 2HG2 VAL 3 -2.566 5.004 -2.357
18 HG23 VAL 3 3HG2 VAL 3 -3.886 4.521 -3.421
19 H ASN 4 H ASN 4 -1.992 7.236 -5.054
20 HA ASN 4 HA ASN 4 -2.468 8.789 -2.682
21 HB2 ASN 4 2HB ASN 4 -1.352 10.842 -3.926
22 HB3 ASN 4 3HB ASN 4 -0.402 9.786 -2.885
23 HD21 ASN 4 1HD2 ASN 4 1.190 8.556 -3.748
24 HD22 ASN 4 2HD2 ASN 4 1.656 8.612 -5.411
25 HA PRO 5 HA PRO 5 -5.908 10.231 -4.991
26 HB2 PRO 5 2HB PRO 5 -6.215 12.763 -4.061
27 HB3 PRO 5 3HB PRO 5 -6.597 11.332 -3.096
28 HG2 PRO 5 2HG PRO 5 -4.148 13.052 -3.046
29 HG3 PRO 5 3HG PRO 5 -5.066 12.372 -1.689
30 HD2 PRO 5 2HD PRO 5 -2.759 11.272 -2.583
31 HD3 PRO 5 3HD PRO 5 -4.075 10.301 -1.892
32 HA PRO 6 HA PRO 6 -4.778 12.548 -8.553
33 HB2 PRO 6 2HB PRO 6 -7.050 13.921 -9.123
34 HB3 PRO 6 3HB PRO 6 -6.896 12.176 -9.362
35 HG2 PRO 6 2HG PRO 6 -8.164 13.675 -7.101
36 HG3 PRO 6 3HG PRO 6 -8.745 12.231 -7.953
37 HD2 PRO 6 2HD PRO 6 -7.522 12.106 -5.540
38 HD3 PRO 6 3HD PRO 6 -7.374 10.819 -6.754
39 H VAL 7 H VAL 7 -3.200 13.898 -7.500
40 HA VAL 7 HA VAL 7 -4.098 16.689 -7.273
41 HB VAL 7 HB VAL 7 -2.059 15.412 -5.447
42 HG11 VAL 7 1HG1 VAL 7 -1.417 17.611 -5.514
43 HG12 VAL 7 2HG1 VAL 7 -3.051 18.193 -5.843
44 HG13 VAL 7 3HG1 VAL 7 -2.611 17.668 -4.217
45 HG21 VAL 7 1HG2 VAL 7 -4.266 14.588 -4.904
46 HG22 VAL 7 2HG2 VAL 7 -3.748 15.742 -3.675
47 HG23 VAL 7 3HG2 VAL 7 -4.912 16.229 -4.907
48 HA PRO 8 HA PRO 8 -0.535 16.196 -10.230
49 HB2 PRO 8 2HB PRO 8 -1.666 17.660 -12.216
50 HB3 PRO 8 3HB PRO 8 -1.942 15.925 -12.026
51 HG2 PRO 8 2HG PRO 8 -3.669 18.221 -11.185
52 HG3 PRO 8 3HG PRO 8 -4.136 16.694 -11.957
53 HD2 PRO 8 2HD PRO 8 -4.416 17.128 -9.299
54 HD3 PRO 8 3HD PRO 8 -4.064 15.523 -9.973
55 HN1 NH2 9 HN1 NH2 9 1.049 17.502 -9.518
56 HN2 NH2 9 HN2 NH2 9 0.969 19.230 -9.428
Start of MODEL 9
1 H1 ACE 1 1H1 ACE 1 5.294 2.466 -4.103
2 H2 ACE 1 2H1 ACE 1 5.159 4.227 -3.884
3 H3 ACE 1 3H1 ACE 1 5.654 3.195 -2.521
4 H GLU 2 H GLU 2 3.751 4.715 -1.841
5 HA GLU 2 HA GLU 2 1.442 2.963 -1.643
6 HB2 GLU 2 2HB GLU 2 0.708 4.389 0.146
7 HB3 GLU 2 3HB GLU 2 2.422 4.068 0.367
8 HG2 GLU 2 2HG GLU 2 2.991 6.243 -0.491
9 HG3 GLU 2 3HG GLU 2 1.302 6.567 -0.878
10 H VAL 3 H VAL 3 -0.619 3.452 -2.316
11 HA VAL 3 HA VAL 3 -0.880 5.092 -4.607
12 HB VAL 3 HB VAL 3 -2.280 3.112 -4.265
13 HG11 VAL 3 1HG1 VAL 3 -3.914 4.618 -2.260
14 HG12 VAL 3 2HG1 VAL 3 -3.866 2.884 -2.589
15 HG13 VAL 3 3HG1 VAL 3 -2.526 3.661 -1.745
16 HG21 VAL 3 1HG2 VAL 3 -4.293 5.281 -4.271
17 HG22 VAL 3 2HG2 VAL 3 -3.006 5.384 -5.473
18 HG23 VAL 3 3HG2 VAL 3 -4.045 3.960 -5.413
19 H ASN 4 H ASN 4 -1.435 7.167 -4.834
20 HA ASN 4 HA ASN 4 -2.417 8.603 -2.455
21 HB2 ASN 4 2HB ASN 4 -1.279 10.614 -3.745
22 HB3 ASN 4 3HB ASN 4 -0.337 9.562 -2.694
23 HD21 ASN 4 1HD2 ASN 4 1.557 9.149 -3.549
24 HD22 ASN 4 2HD2 ASN 4 1.881 8.834 -5.216
25 HA PRO 5 HA PRO 5 -5.854 10.060 -4.759
26 HB2 PRO 5 2HB PRO 5 -6.111 12.613 -3.872
27 HB3 PRO 5 3HB PRO 5 -6.508 11.206 -2.878
28 HG2 PRO 5 2HG PRO 5 -4.030 12.885 -2.880
29 HG3 PRO 5 3HG PRO 5 -4.946 12.246 -1.504
30 HD2 PRO 5 2HD PRO 5 -2.666 11.091 -2.398
31 HD3 PRO 5 3HD PRO 5 -3.992 10.155 -1.678
32 HA PRO 6 HA PRO 6 -4.719 12.294 -8.372
33 HB2 PRO 6 2HB PRO 6 -6.973 13.693 -8.947
34 HB3 PRO 6 3HB PRO 6 -6.850 11.942 -9.155
35 HG2 PRO 6 2HG PRO 6 -8.072 13.502 -6.911
36 HG3 PRO 6 3HG PRO 6 -8.685 12.053 -7.731
37 HD2 PRO 6 2HD PRO 6 -7.441 11.951 -5.327
38 HD3 PRO 6 3HD PRO 6 -7.327 10.640 -6.518
39 H VAL 7 H VAL 7 -3.102 13.658 -7.472
40 HA VAL 7 HA VAL 7 -3.894 16.466 -7.402
41 HB VAL 7 HB VAL 7 -2.153 15.287 -5.235
42 HG11 VAL 7 1HG1 VAL 7 -2.884 17.651 -4.274
43 HG12 VAL 7 2HG1 VAL 7 -1.470 17.458 -5.312
44 HG13 VAL 7 3HG1 VAL 7 -2.994 18.029 -5.993
45 HG21 VAL 7 1HG2 VAL 7 -4.163 16.002 -3.788
46 HG22 VAL 7 2HG2 VAL 7 -5.079 15.935 -5.294
47 HG23 VAL 7 3HG2 VAL 7 -4.272 14.489 -4.689
48 HA PRO 8 HA PRO 8 -0.020 15.592 -9.822
49 HB2 PRO 8 2HB PRO 8 -0.797 16.983 -12.021
50 HB3 PRO 8 3HB PRO 8 -1.205 15.282 -11.766
51 HG2 PRO 8 2HG PRO 8 -2.874 17.721 -11.293
52 HG3 PRO 8 3HG PRO 8 -3.336 16.175 -12.028
53 HD2 PRO 8 2HD PRO 8 -3.920 16.799 -9.458
54 HD3 PRO 8 3HD PRO 8 -3.589 15.136 -9.986
55 HN1 NH2 9 HN1 NH2 9 1.098 16.938 -8.318
56 HN2 NH2 9 HN2 NH2 9 1.286 18.637 -8.594
Start of MODEL 10
1 H1 ACE 1 1H1 ACE 1 3.915 0.388 -3.893
2 H2 ACE 1 2H1 ACE 1 4.723 1.975 -3.881
3 H3 ACE 1 3H1 ACE 1 4.803 0.924 -2.446
4 H GLU 2 H GLU 2 4.043 3.249 -1.805
5 HA GLU 2 HA GLU 2 1.498 2.995 -0.713
6 HB2 GLU 2 2HB GLU 2 3.258 5.394 -1.176
7 HB3 GLU 2 3HB GLU 2 1.693 5.533 -0.387
8 HG2 GLU 2 2HG GLU 2 3.770 3.615 0.600
9 HG3 GLU 2 3HG GLU 2 3.777 5.312 1.078
10 H VAL 3 H VAL 3 -0.188 4.881 -1.058
11 HA VAL 3 HA VAL 3 -0.613 5.376 -3.912
12 HB VAL 3 HB VAL 3 -1.828 3.291 -3.365
13 HG11 VAL 3 1HG1 VAL 3 -3.733 3.331 -1.869
14 HG12 VAL 3 2HG1 VAL 3 -2.275 3.808 -0.997
15 HG13 VAL 3 3HG1 VAL 3 -3.442 5.031 -1.503
16 HG21 VAL 3 1HG2 VAL 3 -3.685 5.608 -3.889
17 HG22 VAL 3 2HG2 VAL 3 -2.631 4.876 -5.098
18 HG23 VAL 3 3HG2 VAL 3 -3.924 3.927 -4.366
19 H ASN 4 H ASN 4 -1.643 7.269 -4.364
20 HA ASN 4 HA ASN 4 -2.897 8.757 -2.182
21 HB2 ASN 4 2HB ASN 4 -1.597 10.818 -3.215
22 HB3 ASN 4 3HB ASN 4 -0.863 9.814 -1.968
23 HD21 ASN 4 1HD2 ASN 4 -0.557 11.065 -5.070
24 HD22 ASN 4 2HD2 ASN 4 0.819 10.151 -5.577
25 HA PRO 5 HA PRO 5 -5.802 10.041 -5.209
26 HB2 PRO 5 2HB PRO 5 -6.367 12.581 -4.434
27 HB3 PRO 5 3HB PRO 5 -6.909 11.159 -3.534
28 HG2 PRO 5 2HG PRO 5 -4.573 12.956 -3.010
29 HG3 PRO 5 3HG PRO 5 -5.741 12.276 -1.862
30 HD2 PRO 5 2HD PRO 5 -3.269 11.230 -2.215
31 HD3 PRO 5 3HD PRO 5 -4.676 10.233 -1.793
32 HA PRO 6 HA PRO 6 -3.999 12.318 -8.510
33 HB2 PRO 6 2HB PRO 6 -6.132 13.606 -9.588
34 HB3 PRO 6 3HB PRO 6 -5.884 11.863 -9.741
35 HG2 PRO 6 2HG PRO 6 -7.645 13.367 -7.844
36 HG3 PRO 6 3HG PRO 6 -7.993 11.889 -8.759
37 HD2 PRO 6 2HD PRO 6 -7.310 11.853 -6.139
38 HD3 PRO 6 3HD PRO 6 -6.873 10.545 -7.258
39 H VAL 7 H VAL 7 -2.627 13.849 -7.681
40 HA VAL 7 HA VAL 7 -3.793 16.510 -7.180
41 HB VAL 7 HB VAL 7 -1.316 15.415 -5.844
42 HG11 VAL 7 1HG1 VAL 7 -2.916 17.841 -5.079
43 HG12 VAL 7 2HG1 VAL 7 -1.291 17.386 -4.560
44 HG13 VAL 7 3HG1 VAL 7 -1.572 17.917 -6.218
45 HG21 VAL 7 1HG2 VAL 7 -4.181 15.362 -5.053
46 HG22 VAL 7 2HG2 VAL 7 -2.904 14.182 -4.756
47 HG23 VAL 7 3HG2 VAL 7 -2.975 15.662 -3.801
48 HA PRO 8 HA PRO 8 -0.746 16.677 -10.703
49 HB2 PRO 8 2HB PRO 8 -2.372 18.076 -12.367
50 HB3 PRO 8 3HB PRO 8 -2.385 16.311 -12.271
51 HG2 PRO 8 2HG PRO 8 -4.232 18.290 -10.994
52 HG3 PRO 8 3HG PRO 8 -4.617 16.758 -11.799
53 HD2 PRO 8 2HD PRO 8 -4.506 16.999 -9.105
54 HD3 PRO 8 3HD PRO 8 -4.065 15.501 -9.949
55 HN1 NH2 9 HN1 NH2 9 0.710 18.116 -9.892
56 HN2 NH2 9 HN2 NH2 9 0.438 19.821 -9.753
Start of MODEL 11
1 H1 ACE 1 1H1 ACE 1 1.605 0.556 -2.951
2 H2 ACE 1 2H1 ACE 1 1.998 0.470 -1.217
3 H3 ACE 1 3H1 ACE 1 0.330 0.814 -1.736
4 H GLU 2 H GLU 2 1.109 2.530 -0.050
5 HA GLU 2 HA GLU 2 1.312 4.768 0.321
6 HB2 GLU 2 2HB GLU 2 3.647 4.138 -1.447
7 HB3 GLU 2 3HB GLU 2 3.336 5.803 -0.976
8 HG2 GLU 2 2HG GLU 2 3.672 5.340 1.297
9 HG3 GLU 2 3HG GLU 2 3.556 3.600 1.044
10 H VAL 3 H VAL 3 -0.448 3.873 -1.855
11 HA VAL 3 HA VAL 3 -0.296 5.553 -4.096
12 HB VAL 3 HB VAL 3 -2.652 5.053 -4.465
13 HG11 VAL 3 1HG1 VAL 3 -1.924 3.109 -5.249
14 HG12 VAL 3 2HG1 VAL 3 -0.586 3.123 -4.099
15 HG13 VAL 3 3HG1 VAL 3 -2.130 2.399 -3.648
16 HG21 VAL 3 1HG2 VAL 3 -3.763 3.525 -2.729
17 HG22 VAL 3 2HG2 VAL 3 -2.543 4.134 -1.610
18 HG23 VAL 3 3HG2 VAL 3 -3.676 5.250 -2.372
19 H ASN 4 H ASN 4 -1.683 7.370 -4.641
20 HA ASN 4 HA ASN 4 -2.731 8.906 -2.392
21 HB2 ASN 4 2HB ASN 4 -1.514 10.949 -3.555
22 HB3 ASN 4 3HB ASN 4 -0.686 9.964 -2.352
23 HD21 ASN 4 1HD2 ASN 4 -1.086 10.540 -5.786
24 HD22 ASN 4 2HD2 ASN 4 0.427 9.859 -6.267
25 HA PRO 5 HA PRO 5 -5.861 10.146 -5.206
26 HB2 PRO 5 2HB PRO 5 -6.365 12.698 -4.430
27 HB3 PRO 5 3HB PRO 5 -6.835 11.291 -3.469
28 HG2 PRO 5 2HG PRO 5 -4.466 13.093 -3.154
29 HG3 PRO 5 3HG PRO 5 -5.542 12.433 -1.909
30 HD2 PRO 5 2HD PRO 5 -3.104 11.379 -2.435
31 HD3 PRO 5 3HD PRO 5 -4.474 10.391 -1.891
32 HA PRO 6 HA PRO 6 -4.317 12.370 -8.671
33 HB2 PRO 6 2HB PRO 6 -6.527 13.643 -9.601
34 HB3 PRO 6 3HB PRO 6 -6.293 11.897 -9.746
35 HG2 PRO 6 2HG PRO 6 -7.902 13.433 -7.742
36 HG3 PRO 6 3HG PRO 6 -8.319 11.941 -8.605
37 HD2 PRO 6 2HD PRO 6 -7.436 11.945 -6.046
38 HD3 PRO 6 3HD PRO 6 -7.087 10.620 -7.174
39 H VAL 7 H VAL 7 -2.970 13.789 -7.348
40 HA VAL 7 HA VAL 7 -4.020 16.543 -7.246
41 HB VAL 7 HB VAL 7 -1.886 15.372 -5.458
42 HG11 VAL 7 1HG1 VAL 7 -2.553 17.560 -4.180
43 HG12 VAL 7 2HG1 VAL 7 -1.395 17.617 -5.511
44 HG13 VAL 7 3HG1 VAL 7 -3.074 18.088 -5.780
45 HG21 VAL 7 1HG2 VAL 7 -3.553 14.511 -4.262
46 HG22 VAL 7 2HG2 VAL 7 -4.076 16.160 -3.921
47 HG23 VAL 7 3HG2 VAL 7 -4.765 15.281 -5.285
48 HA PRO 8 HA PRO 8 -0.474 16.373 -10.248
49 HB2 PRO 8 2HB PRO 8 -1.711 17.856 -12.156
50 HB3 PRO 8 3HB PRO 8 -1.894 16.102 -12.034
51 HG2 PRO 8 2HG PRO 8 -3.724 18.269 -11.076
52 HG3 PRO 8 3HG PRO 8 -4.123 16.752 -11.903
53 HD2 PRO 8 2HD PRO 8 -4.382 17.063 -9.226
54 HD3 PRO 8 3HD PRO 8 -3.959 15.508 -9.970
55 HN1 NH2 9 HN1 NH2 9 0.634 17.706 -8.680
56 HN2 NH2 9 HN2 NH2 9 0.625 19.432 -8.830
Start of MODEL 12
1 H1 ACE 1 1H1 ACE 1 3.050 0.880 -3.384
2 H2 ACE 1 2H1 ACE 1 3.901 2.426 -3.614
3 H3 ACE 1 3H1 ACE 1 4.157 1.481 -2.127
4 H GLU 2 H GLU 2 3.575 3.878 -1.569
5 HA GLU 2 HA GLU 2 1.034 3.757 -0.291
6 HB2 GLU 2 2HB GLU 2 3.241 5.764 -0.453
7 HB3 GLU 2 3HB GLU 2 1.673 6.280 0.151
8 HG2 GLU 2 2HG GLU 2 3.046 5.687 2.008
9 HG3 GLU 2 3HG GLU 2 1.779 4.473 1.839
10 H VAL 3 H VAL 3 -0.553 3.615 -1.871
11 HA VAL 3 HA VAL 3 -0.798 5.218 -4.139
12 HB VAL 3 HB VAL 3 -3.018 3.994 -2.494
13 HG11 VAL 3 1HG1 VAL 3 -3.857 5.711 -3.997
14 HG12 VAL 3 2HG1 VAL 3 -3.003 4.966 -5.350
15 HG13 VAL 3 3HG1 VAL 3 -4.330 4.109 -4.564
16 HG21 VAL 3 1HG2 VAL 3 -2.877 2.108 -3.973
17 HG22 VAL 3 2HG2 VAL 3 -1.639 2.904 -4.945
18 HG23 VAL 3 3HG2 VAL 3 -1.277 2.405 -3.293
19 H ASN 4 H ASN 4 -1.297 7.288 -4.437
20 HA ASN 4 HA ASN 4 -2.574 8.750 -2.219
21 HB2 ASN 4 2HB ASN 4 -1.320 10.757 -3.405
22 HB3 ASN 4 3HB ASN 4 -0.494 9.739 -2.229
23 HD21 ASN 4 1HD2 ASN 4 -0.678 10.748 -5.497
24 HD22 ASN 4 2HD2 ASN 4 0.687 9.863 -6.080
25 HA PRO 5 HA PRO 5 -5.733 10.108 -4.944
26 HB2 PRO 5 2HB PRO 5 -6.131 12.671 -4.144
27 HB3 PRO 5 3HB PRO 5 -6.623 11.276 -3.177
28 HG2 PRO 5 2HG PRO 5 -4.187 12.997 -2.918
29 HG3 PRO 5 3HG PRO 5 -5.252 12.367 -1.648
30 HD2 PRO 5 2HD PRO 5 -2.865 11.234 -2.242
31 HD3 PRO 5 3HD PRO 5 -4.253 10.289 -1.666
32 HA PRO 6 HA PRO 6 -4.208 12.295 -8.440
33 HB2 PRO 6 2HB PRO 6 -6.398 13.646 -9.306
34 HB3 PRO 6 3HB PRO 6 -6.226 11.894 -9.464
35 HG2 PRO 6 2HG PRO 6 -7.729 13.473 -7.412
36 HG3 PRO 6 3HG PRO 6 -8.219 12.000 -8.270
37 HD2 PRO 6 2HD PRO 6 -7.269 11.962 -5.734
38 HD3 PRO 6 3HD PRO 6 -6.994 10.631 -6.877
39 H VAL 7 H VAL 7 -2.710 13.739 -7.569
40 HA VAL 7 HA VAL 7 -3.726 16.461 -7.067
41 HB VAL 7 HB VAL 7 -1.196 15.270 -5.927
42 HG11 VAL 7 1HG1 VAL 7 -1.050 17.659 -6.168
43 HG12 VAL 7 2HG1 VAL 7 -2.632 17.872 -5.415
44 HG13 VAL 7 3HG1 VAL 7 -1.274 17.271 -4.463
45 HG21 VAL 7 1HG2 VAL 7 -3.884 15.699 -4.626
46 HG22 VAL 7 2HG2 VAL 7 -3.112 14.149 -4.959
47 HG23 VAL 7 3HG2 VAL 7 -2.406 15.248 -3.775
48 HA PRO 8 HA PRO 8 -0.998 16.519 -10.836
49 HB2 PRO 8 2HB PRO 8 -2.682 18.042 -12.325
50 HB3 PRO 8 3HB PRO 8 -2.795 16.280 -12.248
51 HG2 PRO 8 2HG PRO 8 -4.389 18.346 -10.781
52 HG3 PRO 8 3HG PRO 8 -4.942 16.854 -11.564
53 HD2 PRO 8 2HD PRO 8 -4.566 17.043 -8.889
54 HD3 PRO 8 3HD PRO 8 -4.300 15.535 -9.787
55 HN1 NH2 9 HN1 NH2 9 0.399 17.819 -9.464
56 HN2 NH2 9 HN2 NH2 9 0.329 19.548 -9.542
Start of MODEL 13
1 H1 ACE 1 1H1 ACE 1 3.886 1.725 -5.228
2 H2 ACE 1 2H1 ACE 1 3.949 3.444 -5.685
3 H3 ACE 1 3H1 ACE 1 5.031 2.820 -4.417
4 H GLU 2 H GLU 2 3.799 4.874 -3.606
5 HA GLU 2 HA GLU 2 2.002 3.911 -1.585
6 HB2 GLU 2 2HB GLU 2 2.983 6.696 -2.230
7 HB3 GLU 2 3HB GLU 2 1.991 6.293 -0.835
8 HG2 GLU 2 2HG GLU 2 4.713 5.135 -1.389
9 HG3 GLU 2 3HG GLU 2 4.397 6.500 -0.319
10 H VAL 3 H VAL 3 -0.128 4.681 -1.187
11 HA VAL 3 HA VAL 3 -1.593 5.243 -3.656
12 HB VAL 3 HB VAL 3 -2.729 4.527 -0.952
13 HG11 VAL 3 1HG1 VAL 3 -4.584 5.238 -2.016
14 HG12 VAL 3 2HG1 VAL 3 -3.858 5.073 -3.616
15 HG13 VAL 3 3HG1 VAL 3 -4.506 3.656 -2.790
16 HG21 VAL 3 1HG2 VAL 3 -1.788 2.800 -3.218
17 HG22 VAL 3 2HG2 VAL 3 -1.437 2.657 -1.495
18 HG23 VAL 3 3HG2 VAL 3 -3.042 2.252 -2.104
19 H ASN 4 H ASN 4 -2.514 7.150 -4.070
20 HA ASN 4 HA ASN 4 -3.306 8.944 -1.953
21 HB2 ASN 4 2HB ASN 4 -1.918 10.814 -3.210
22 HB3 ASN 4 3HB ASN 4 -1.186 9.842 -1.937
23 HD21 ASN 4 1HD2 ASN 4 -1.261 10.562 -5.306
24 HD22 ASN 4 2HD2 ASN 4 0.111 9.614 -5.758
25 HA PRO 5 HA PRO 5 -6.290 10.251 -4.891
26 HB2 PRO 5 2HB PRO 5 -6.604 12.877 -4.275
27 HB3 PRO 5 3HB PRO 5 -7.196 11.570 -3.242
28 HG2 PRO 5 2HG PRO 5 -4.698 13.200 -2.991
29 HG3 PRO 5 3HG PRO 5 -5.840 12.700 -1.729
30 HD2 PRO 5 2HD PRO 5 -3.484 11.432 -2.147
31 HD3 PRO 5 3HD PRO 5 -4.935 10.586 -1.571
32 HA PRO 6 HA PRO 6 -4.531 12.138 -8.452
33 HB2 PRO 6 2HB PRO 6 -6.621 13.520 -9.495
34 HB3 PRO 6 3HB PRO 6 -6.522 11.756 -9.533
35 HG2 PRO 6 2HG PRO 6 -8.034 13.528 -7.653
36 HG3 PRO 6 3HG PRO 6 -8.554 12.024 -8.435
37 HD2 PRO 6 2HD PRO 6 -7.709 12.113 -5.864
38 HD3 PRO 6 3HD PRO 6 -7.448 10.699 -6.906
39 H VAL 7 H VAL 7 -3.084 13.529 -7.226
40 HA VAL 7 HA VAL 7 -3.777 16.356 -7.576
41 HB VAL 7 HB VAL 7 -2.424 15.317 -5.085
42 HG11 VAL 7 1HG1 VAL 7 -2.733 17.934 -6.263
43 HG12 VAL 7 2HG1 VAL 7 -3.464 17.864 -4.658
44 HG13 VAL 7 3HG1 VAL 7 -1.767 17.432 -4.875
45 HG21 VAL 7 1HG2 VAL 7 -4.647 14.593 -4.877
46 HG22 VAL 7 2HG2 VAL 7 -4.589 16.118 -3.994
47 HG23 VAL 7 3HG2 VAL 7 -5.285 16.064 -5.613
48 HA PRO 8 HA PRO 8 0.391 15.256 -9.308
49 HB2 PRO 8 2HB PRO 8 0.005 16.536 -11.671
50 HB3 PRO 8 3HB PRO 8 -0.496 14.864 -11.391
51 HG2 PRO 8 2HG PRO 8 -2.132 17.370 -11.310
52 HG3 PRO 8 3HG PRO 8 -2.530 15.796 -12.024
53 HD2 PRO 8 2HD PRO 8 -3.475 16.584 -9.611
54 HD3 PRO 8 3HD PRO 8 -3.126 14.885 -9.992
55 HN1 NH2 9 HN1 NH2 9 1.425 16.623 -7.814
56 HN2 NH2 9 HN2 NH2 9 1.669 18.311 -8.115
Start of MODEL 14
1 H1 ACE 1 1H1 ACE 1 1.495 -0.820 -1.686
2 H2 ACE 1 2H1 ACE 1 2.930 0.074 -2.241
3 H3 ACE 1 3H1 ACE 1 2.722 -0.289 -0.511
4 H GLU 2 H GLU 2 3.206 2.169 -0.852
5 HA GLU 2 HA GLU 2 1.023 3.573 0.132
6 HB2 GLU 2 2HB GLU 2 2.332 5.596 -0.238
7 HB3 GLU 2 3HB GLU 2 3.349 4.312 0.401
8 HG2 GLU 2 2HG GLU 2 4.036 3.844 -1.983
9 HG3 GLU 2 3HG GLU 2 3.234 5.354 -2.411
10 H VAL 3 H VAL 3 -0.324 5.182 -0.770
11 HA VAL 3 HA VAL 3 -0.403 5.579 -3.625
12 HB VAL 3 HB VAL 3 -1.589 3.442 -3.441
13 HG11 VAL 3 1HG1 VAL 3 -3.821 4.713 -1.941
14 HG12 VAL 3 2HG1 VAL 3 -3.336 3.019 -2.027
15 HG13 VAL 3 3HG1 VAL 3 -2.414 4.153 -1.038
16 HG21 VAL 3 1HG2 VAL 3 -3.865 5.218 -3.960
17 HG22 VAL 3 2HG2 VAL 3 -2.386 5.648 -4.819
18 HG23 VAL 3 3HG2 VAL 3 -3.082 4.039 -5.012
19 H ASN 4 H ASN 4 -1.415 7.452 -4.174
20 HA ASN 4 HA ASN 4 -3.040 8.806 -2.142
21 HB2 ASN 4 2HB ASN 4 -1.769 10.953 -3.024
22 HB3 ASN 4 3HB ASN 4 -1.106 9.980 -1.715
23 HD21 ASN 4 1HD2 ASN 4 0.836 9.071 -1.961
24 HD22 ASN 4 2HD2 ASN 4 1.767 9.106 -3.415
25 HA PRO 5 HA PRO 5 -5.696 9.951 -5.441
26 HB2 PRO 5 2HB PRO 5 -6.490 12.442 -4.712
27 HB3 PRO 5 3HB PRO 5 -7.033 10.980 -3.881
28 HG2 PRO 5 2HG PRO 5 -4.875 12.907 -3.110
29 HG3 PRO 5 3HG PRO 5 -6.111 12.144 -2.092
30 HD2 PRO 5 2HD PRO 5 -3.556 11.253 -2.197
31 HD3 PRO 5 3HD PRO 5 -4.935 10.168 -1.927
32 HA PRO 6 HA PRO 6 -3.710 12.372 -8.527
33 HB2 PRO 6 2HB PRO 6 -5.797 13.543 -9.808
34 HB3 PRO 6 3HB PRO 6 -5.430 11.820 -9.946
35 HG2 PRO 6 2HG PRO 6 -7.462 13.193 -8.229
36 HG3 PRO 6 3HG PRO 6 -7.624 11.708 -9.184
37 HD2 PRO 6 2HD PRO 6 -7.209 11.680 -6.509
38 HD3 PRO 6 3HD PRO 6 -6.583 10.415 -7.585
39 H VAL 7 H VAL 7 -2.507 14.032 -7.778
40 HA VAL 7 HA VAL 7 -3.896 16.574 -7.239
41 HB VAL 7 HB VAL 7 -1.401 15.615 -5.831
42 HG11 VAL 7 1HG1 VAL 7 -2.598 18.201 -6.142
43 HG12 VAL 7 2HG1 VAL 7 -2.645 17.717 -4.445
44 HG13 VAL 7 3HG1 VAL 7 -1.108 17.754 -5.311
45 HG21 VAL 7 1HG2 VAL 7 -4.292 15.535 -5.078
46 HG22 VAL 7 2HG2 VAL 7 -3.043 14.308 -4.864
47 HG23 VAL 7 3HG2 VAL 7 -3.063 15.735 -3.829
48 HA PRO 8 HA PRO 8 -0.774 17.049 -10.664
49 HB2 PRO 8 2HB PRO 8 -2.454 18.366 -12.342
50 HB3 PRO 8 3HB PRO 8 -2.341 16.603 -12.285
51 HG2 PRO 8 2HG PRO 8 -4.359 18.414 -11.016
52 HG3 PRO 8 3HG PRO 8 -4.612 16.878 -11.865
53 HD2 PRO 8 2HD PRO 8 -4.588 17.063 -9.164
54 HD3 PRO 8 3HD PRO 8 -4.019 15.620 -10.027
55 HN1 NH2 9 HN1 NH2 9 0.436 18.523 -9.443
56 HN2 NH2 9 HN2 NH2 9 0.081 20.218 -9.403
Start of MODEL 15
1 H1 ACE 1 1H1 ACE 1 4.451 2.927 -5.548
2 H2 ACE 1 2H1 ACE 1 3.706 4.487 -5.973
3 H3 ACE 1 3H1 ACE 1 5.076 4.434 -4.838
4 H GLU 2 H GLU 2 3.159 5.762 -3.859
5 HA GLU 2 HA GLU 2 1.843 3.944 -1.961
6 HB2 GLU 2 2HB GLU 2 2.800 6.781 -1.760
7 HB3 GLU 2 3HB GLU 2 1.567 6.182 -0.660
8 HG2 GLU 2 2HG GLU 2 3.265 4.250 -0.253
9 HG3 GLU 2 3HG GLU 2 4.433 5.403 -0.896
10 H VAL 3 H VAL 3 -0.329 3.945 -1.686
11 HA VAL 3 HA VAL 3 -1.992 4.892 -3.743
12 HB VAL 3 HB VAL 3 -2.784 4.064 -0.947
13 HG11 VAL 3 1HG1 VAL 3 -4.926 3.428 -2.256
14 HG12 VAL 3 2HG1 VAL 3 -4.670 5.113 -1.798
15 HG13 VAL 3 3HG1 VAL 3 -4.340 4.587 -3.449
16 HG21 VAL 3 1HG2 VAL 3 -2.334 2.504 -3.476
17 HG22 VAL 3 2HG2 VAL 3 -1.624 2.243 -1.882
18 HG23 VAL 3 3HG2 VAL 3 -3.330 1.890 -2.156
19 H ASN 4 H ASN 4 -2.591 6.906 -4.152
20 HA ASN 4 HA ASN 4 -3.535 8.621 -2.023
21 HB2 ASN 4 2HB ASN 4 -1.999 10.502 -3.075
22 HB3 ASN 4 3HB ASN 4 -1.401 9.453 -1.793
23 HD21 ASN 4 1HD2 ASN 4 0.698 9.290 -2.244
24 HD22 ASN 4 2HD2 ASN 4 1.352 8.724 -3.740
25 HA PRO 5 HA PRO 5 -6.231 10.144 -5.131
26 HB2 PRO 5 2HB PRO 5 -6.526 12.748 -4.422
27 HB3 PRO 5 3HB PRO 5 -7.235 11.416 -3.502
28 HG2 PRO 5 2HG PRO 5 -4.725 12.957 -2.972
29 HG3 PRO 5 3HG PRO 5 -5.980 12.437 -1.833
30 HD2 PRO 5 2HD PRO 5 -3.632 11.118 -2.115
31 HD3 PRO 5 3HD PRO 5 -5.147 10.292 -1.700
32 HA PRO 6 HA PRO 6 -4.133 12.133 -8.445
33 HB2 PRO 6 2HB PRO 6 -6.094 13.621 -9.590
34 HB3 PRO 6 3HB PRO 6 -6.037 11.858 -9.701
35 HG2 PRO 6 2HG PRO 6 -7.653 13.590 -7.871
36 HG3 PRO 6 3HG PRO 6 -8.146 12.138 -8.761
37 HD2 PRO 6 2HD PRO 6 -7.514 12.088 -6.129
38 HD3 PRO 6 3HD PRO 6 -7.206 10.715 -7.211
39 H VAL 7 H VAL 7 -2.638 13.489 -7.457
40 HA VAL 7 HA VAL 7 -3.485 16.298 -7.175
41 HB VAL 7 HB VAL 7 -1.319 14.962 -5.550
42 HG11 VAL 7 1HG1 VAL 7 -1.572 17.052 -4.173
43 HG12 VAL 7 2HG1 VAL 7 -0.873 17.286 -5.777
44 HG13 VAL 7 3HG1 VAL 7 -2.561 17.704 -5.479
45 HG21 VAL 7 1HG2 VAL 7 -3.133 15.541 -3.706
46 HG22 VAL 7 2HG2 VAL 7 -4.230 15.305 -5.067
47 HG23 VAL 7 3HG2 VAL 7 -3.145 14.005 -4.573
48 HA PRO 8 HA PRO 8 -0.126 15.918 -10.376
49 HB2 PRO 8 2HB PRO 8 -1.370 17.480 -12.215
50 HB3 PRO 8 3HB PRO 8 -1.651 15.740 -12.086
51 HG2 PRO 8 2HG PRO 8 -3.296 18.007 -11.031
52 HG3 PRO 8 3HG PRO 8 -3.827 16.520 -11.839
53 HD2 PRO 8 2HD PRO 8 -3.929 16.833 -9.151
54 HD3 PRO 8 3HD PRO 8 -3.637 15.259 -9.919
55 HN1 NH2 9 HN1 NH2 9 1.181 17.169 -8.926
56 HN2 NH2 9 HN2 NH2 9 1.250 18.895 -9.050
Start of MODEL 16
1 H1 ACE 1 1H1 ACE 1 2.226 0.766 -3.409
2 H2 ACE 1 2H1 ACE 1 2.393 0.482 -1.660
3 H3 ACE 1 3H1 ACE 1 0.777 0.677 -2.380
4 H GLU 2 H GLU 2 1.058 2.217 -0.394
5 HA GLU 2 HA GLU 2 0.856 4.388 0.269
6 HB2 GLU 2 2HB GLU 2 3.494 4.342 -1.159
7 HB3 GLU 2 3HB GLU 2 2.872 5.849 -0.501
8 HG2 GLU 2 2HG GLU 2 2.708 4.750 1.717
9 HG3 GLU 2 3HG GLU 2 3.482 3.327 1.021
10 H VAL 3 H VAL 3 -0.428 3.612 -2.243
11 HA VAL 3 HA VAL 3 -0.203 5.472 -4.283
12 HB VAL 3 HB VAL 3 -1.582 3.495 -4.530
13 HG11 VAL 3 1HG1 VAL 3 -2.589 4.184 -2.038
14 HG12 VAL 3 2HG1 VAL 3 -3.947 4.419 -3.141
15 HG13 VAL 3 3HG1 VAL 3 -3.131 2.857 -3.064
16 HG21 VAL 3 1HG2 VAL 3 -3.283 4.426 -5.827
17 HG22 VAL 3 2HG2 VAL 3 -3.484 5.804 -4.745
18 HG23 VAL 3 3HG2 VAL 3 -2.059 5.695 -5.777
19 H ASN 4 H ASN 4 -0.859 7.523 -4.606
20 HA ASN 4 HA ASN 4 -2.262 8.849 -2.381
21 HB2 ASN 4 2HB ASN 4 -1.198 10.946 -3.596
22 HB3 ASN 4 3HB ASN 4 -0.259 9.981 -2.460
23 HD21 ASN 4 1HD2 ASN 4 1.593 9.138 -3.130
24 HD22 ASN 4 2HD2 ASN 4 2.130 9.075 -4.770
25 HA PRO 5 HA PRO 5 -5.610 9.996 -4.974
26 HB2 PRO 5 2HB PRO 5 -6.156 12.521 -4.139
27 HB3 PRO 5 3HB PRO 5 -6.512 11.089 -3.165
28 HG2 PRO 5 2HG PRO 5 -4.194 12.975 -2.983
29 HG3 PRO 5 3HG PRO 5 -5.163 12.264 -1.679
30 HD2 PRO 5 2HD PRO 5 -2.727 11.306 -2.372
31 HD3 PRO 5 3HD PRO 5 -4.023 10.263 -1.752
32 HA PRO 6 HA PRO 6 -4.375 12.306 -8.506
33 HB2 PRO 6 2HB PRO 6 -6.685 13.505 -9.278
34 HB3 PRO 6 3HB PRO 6 -6.397 11.770 -9.457
35 HG2 PRO 6 2HG PRO 6 -7.929 13.227 -7.338
36 HG3 PRO 6 3HG PRO 6 -8.346 11.729 -8.189
37 HD2 PRO 6 2HD PRO 6 -7.300 11.743 -5.691
38 HD3 PRO 6 3HD PRO 6 -6.976 10.441 -6.855
39 H VAL 7 H VAL 7 -2.954 13.823 -7.567
40 HA VAL 7 HA VAL 7 -4.109 16.515 -7.269
41 HB VAL 7 HB VAL 7 -1.817 15.431 -5.627
42 HG11 VAL 7 1HG1 VAL 7 -2.784 18.092 -6.169
43 HG12 VAL 7 2HG1 VAL 7 -2.892 17.720 -4.448
44 HG13 VAL 7 3HG1 VAL 7 -1.346 17.578 -5.287
45 HG21 VAL 7 1HG2 VAL 7 -4.679 15.966 -4.836
46 HG22 VAL 7 2HG2 VAL 7 -3.908 14.385 -4.958
47 HG23 VAL 7 3HG2 VAL 7 -3.376 15.533 -3.730
48 HA PRO 8 HA PRO 8 -0.769 16.449 -10.503
49 HB2 PRO 8 2HB PRO 8 -2.186 17.867 -12.334
50 HB3 PRO 8 3HB PRO 8 -2.294 16.109 -12.188
51 HG2 PRO 8 2HG PRO 8 -4.136 18.214 -11.123
52 HG3 PRO 8 3HG PRO 8 -4.532 16.677 -11.913
53 HD2 PRO 8 2HD PRO 8 -4.624 17.001 -9.226
54 HD3 PRO 8 3HD PRO 8 -4.192 15.456 -9.987
55 HN1 NH2 9 HN1 NH2 9 0.643 17.836 -9.493
56 HN2 NH2 9 HN2 NH2 9 0.462 19.558 -9.474
Start of MODEL 17
1 H1 ACE 1 1H1 ACE 1 2.260 -0.841 -1.729
2 H2 ACE 1 2H1 ACE 1 3.057 0.160 -2.967
3 H3 ACE 1 3H1 ACE 1 3.743 0.057 -1.327
4 H GLU 2 H GLU 2 3.483 2.471 -2.035
5 HA GLU 2 HA GLU 2 1.414 3.520 -0.348
6 HB2 GLU 2 2HB GLU 2 3.309 5.052 -2.133
7 HB3 GLU 2 3HB GLU 2 2.416 5.676 -0.753
8 HG2 GLU 2 2HG GLU 2 3.716 4.328 0.758
9 HG3 GLU 2 3HG GLU 2 4.545 3.556 -0.593
10 H VAL 3 H VAL 3 0.047 5.382 -1.093
11 HA VAL 3 HA VAL 3 -0.650 5.521 -3.876
12 HB VAL 3 HB VAL 3 -1.832 3.473 -3.335
13 HG11 VAL 3 1HG1 VAL 3 -3.616 3.451 -1.636
14 HG12 VAL 3 2HG1 VAL 3 -2.022 3.734 -0.932
15 HG13 VAL 3 3HG1 VAL 3 -3.145 5.077 -1.144
16 HG21 VAL 3 1HG2 VAL 3 -2.857 5.369 -4.754
17 HG22 VAL 3 2HG2 VAL 3 -3.900 4.043 -4.237
18 HG23 VAL 3 3HG2 VAL 3 -3.952 5.589 -3.389
19 H ASN 4 H ASN 4 -1.889 7.313 -4.366
20 HA ASN 4 HA ASN 4 -3.097 8.864 -2.231
21 HB2 ASN 4 2HB ASN 4 -1.788 10.925 -3.252
22 HB3 ASN 4 3HB ASN 4 -1.080 9.945 -1.972
23 HD21 ASN 4 1HD2 ASN 4 -0.836 10.999 -5.207
24 HD22 ASN 4 2HD2 ASN 4 0.617 10.156 -5.614
25 HA PRO 5 HA PRO 5 -5.926 10.081 -5.355
26 HB2 PRO 5 2HB PRO 5 -6.539 12.624 -4.628
27 HB3 PRO 5 3HB PRO 5 -7.092 11.207 -3.727
28 HG2 PRO 5 2HG PRO 5 -4.790 13.035 -3.158
29 HG3 PRO 5 3HG PRO 5 -5.984 12.357 -2.036
30 HD2 PRO 5 2HD PRO 5 -3.492 11.333 -2.305
31 HD3 PRO 5 3HD PRO 5 -4.901 10.326 -1.912
32 HA PRO 6 HA PRO 6 -4.052 12.337 -8.631
33 HB2 PRO 6 2HB PRO 6 -6.166 13.590 -9.785
34 HB3 PRO 6 3HB PRO 6 -5.897 11.847 -9.910
35 HG2 PRO 6 2HG PRO 6 -7.726 13.356 -8.082
36 HG3 PRO 6 3HG PRO 6 -8.033 11.863 -8.990
37 HD2 PRO 6 2HD PRO 6 -7.425 11.865 -6.351
38 HD3 PRO 6 3HD PRO 6 -6.943 10.549 -7.441
39 H VAL 7 H VAL 7 -2.767 13.825 -7.481
40 HA VAL 7 HA VAL 7 -3.919 16.532 -7.298
41 HB VAL 7 HB VAL 7 -1.779 15.404 -5.489
42 HG11 VAL 7 1HG1 VAL 7 -1.325 17.554 -5.120
43 HG12 VAL 7 2HG1 VAL 7 -2.740 18.085 -6.032
44 HG13 VAL 7 3HG1 VAL 7 -2.897 17.656 -4.328
45 HG21 VAL 7 1HG2 VAL 7 -3.665 15.760 -3.758
46 HG22 VAL 7 2HG2 VAL 7 -4.742 15.694 -5.153
47 HG23 VAL 7 3HG2 VAL 7 -3.705 14.319 -4.773
48 HA PRO 8 HA PRO 8 -0.297 16.485 -10.224
49 HB2 PRO 8 2HB PRO 8 -1.551 17.886 -12.183
50 HB3 PRO 8 3HB PRO 8 -1.652 16.127 -12.045
51 HG2 PRO 8 2HG PRO 8 -3.611 18.211 -11.162
52 HG3 PRO 8 3HG PRO 8 -3.912 16.668 -11.983
53 HD2 PRO 8 2HD PRO 8 -4.261 16.993 -9.317
54 HD3 PRO 8 3HD PRO 8 -3.742 15.453 -10.032
55 HN1 NH2 9 HN1 NH2 9 0.560 17.899 -8.494
56 HN2 NH2 9 HN2 NH2 9 0.524 19.616 -8.720
Start of MODEL 18
1 H1 ACE 1 1H1 ACE 1 1.761 0.420 -3.250
2 H2 ACE 1 2H1 ACE 1 1.914 0.156 -1.496
3 H3 ACE 1 3H1 ACE 1 0.325 0.534 -2.204
4 H GLU 2 H GLU 2 0.821 2.070 -0.258
5 HA GLU 2 HA GLU 2 0.893 4.264 0.354
6 HB2 GLU 2 2HB GLU 2 3.444 3.451 -0.193
7 HB3 GLU 2 3HB GLU 2 3.304 4.872 -1.217
8 HG2 GLU 2 2HG GLU 2 2.683 6.221 0.707
9 HG3 GLU 2 3HG GLU 2 2.771 4.798 1.744
10 H VAL 3 H VAL 3 -0.598 3.674 -2.022
11 HA VAL 3 HA VAL 3 -0.103 5.489 -4.113
12 HB VAL 3 HB VAL 3 -2.378 5.091 -4.830
13 HG11 VAL 3 1HG1 VAL 3 -2.063 2.385 -3.986
14 HG12 VAL 3 2HG1 VAL 3 -1.717 3.102 -5.561
15 HG13 VAL 3 3HG1 VAL 3 -0.472 3.072 -4.312
16 HG21 VAL 3 1HG2 VAL 3 -3.832 5.182 -3.084
17 HG22 VAL 3 2HG2 VAL 3 -3.668 3.429 -3.195
18 HG23 VAL 3 3HG2 VAL 3 -2.745 4.326 -1.989
19 H ASN 4 H ASN 4 -1.363 7.394 -4.682
20 HA ASN 4 HA ASN 4 -2.470 8.843 -2.382
21 HB2 ASN 4 2HB ASN 4 -1.307 10.909 -3.560
22 HB3 ASN 4 3HB ASN 4 -0.430 9.911 -2.403
23 HD21 ASN 4 1HD2 ASN 4 -0.591 11.055 -5.594
24 HD22 ASN 4 2HD2 ASN 4 0.763 10.187 -6.226
25 HA PRO 5 HA PRO 5 -5.708 10.105 -5.060
26 HB2 PRO 5 2HB PRO 5 -6.196 12.644 -4.230
27 HB3 PRO 5 3HB PRO 5 -6.623 11.221 -3.272
28 HG2 PRO 5 2HG PRO 5 -4.252 13.031 -3.020
29 HG3 PRO 5 3HG PRO 5 -5.279 12.348 -1.746
30 HD2 PRO 5 2HD PRO 5 -2.856 11.315 -2.376
31 HD3 PRO 5 3HD PRO 5 -4.201 10.311 -1.795
32 HA PRO 6 HA PRO 6 -4.306 12.385 -8.548
33 HB2 PRO 6 2HB PRO 6 -6.555 13.659 -9.378
34 HB3 PRO 6 3HB PRO 6 -6.317 11.916 -9.556
35 HG2 PRO 6 2HG PRO 6 -7.858 13.416 -7.472
36 HG3 PRO 6 3HG PRO 6 -8.300 11.934 -8.340
37 HD2 PRO 6 2HD PRO 6 -7.322 11.907 -5.815
38 HD3 PRO 6 3HD PRO 6 -7.009 10.599 -6.975
39 H VAL 7 H VAL 7 -2.871 13.837 -7.491
40 HA VAL 7 HA VAL 7 -3.959 16.559 -7.176
41 HB VAL 7 HB VAL 7 -1.613 15.435 -5.644
42 HG11 VAL 7 1HG1 VAL 7 -2.445 17.562 -4.236
43 HG12 VAL 7 2HG1 VAL 7 -1.227 17.661 -5.510
44 HG13 VAL 7 3HG1 VAL 7 -2.904 18.084 -5.857
45 HG21 VAL 7 1HG2 VAL 7 -4.496 15.763 -4.833
46 HG22 VAL 7 2HG2 VAL 7 -3.548 14.276 -4.867
47 HG23 VAL 7 3HG2 VAL 7 -3.177 15.531 -3.684
48 HA PRO 8 HA PRO 8 -0.690 16.480 -10.497
49 HB2 PRO 8 2HB PRO 8 -2.148 17.884 -12.306
50 HB3 PRO 8 3HB PRO 8 -2.242 16.126 -12.154
51 HG2 PRO 8 2HG PRO 8 -4.079 18.223 -11.063
52 HG3 PRO 8 3HG PRO 8 -4.479 16.680 -11.841
53 HD2 PRO 8 2HD PRO 8 -4.526 17.012 -9.154
54 HD3 PRO 8 3HD PRO 8 -4.098 15.467 -9.918
55 HN1 NH2 9 HN1 NH2 9 0.592 17.873 -9.213
56 HN2 NH2 9 HN2 NH2 9 0.453 19.597 -9.310
Start of MODEL 19
1 H1 ACE 1 1H1 ACE 1 6.312 3.623 -3.558
2 H2 ACE 1 2H1 ACE 1 5.618 5.237 -3.841
3 H3 ACE 1 3H1 ACE 1 6.170 4.778 -2.212
4 H GLU 2 H GLU 2 3.812 5.689 -2.129
5 HA GLU 2 HA GLU 2 2.017 3.351 -2.116
6 HB2 GLU 2 2HB GLU 2 2.245 5.666 -0.198
7 HB3 GLU 2 3HB GLU 2 0.832 4.621 -0.247
8 HG2 GLU 2 2HG GLU 2 2.570 2.708 0.023
9 HG3 GLU 2 3HG GLU 2 3.617 3.997 0.614
10 H VAL 3 H VAL 3 -0.289 3.834 -2.352
11 HA VAL 3 HA VAL 3 -0.836 5.348 -4.635
12 HB VAL 3 HB VAL 3 -3.216 5.029 -4.102
13 HG11 VAL 3 1HG1 VAL 3 -1.392 2.665 -3.731
14 HG12 VAL 3 2HG1 VAL 3 -3.141 2.511 -3.911
15 HG13 VAL 3 3HG1 VAL 3 -2.178 3.214 -5.211
16 HG21 VAL 3 1HG2 VAL 3 -2.110 4.536 -1.421
17 HG22 VAL 3 2HG2 VAL 3 -3.685 5.167 -1.902
18 HG23 VAL 3 3HG2 VAL 3 -3.386 3.429 -1.927
19 H ASN 4 H ASN 4 -2.706 7.043 -4.596
20 HA ASN 4 HA ASN 4 -2.962 8.809 -2.422
21 HB2 ASN 4 2HB ASN 4 -1.681 10.725 -3.722
22 HB3 ASN 4 3HB ASN 4 -0.831 9.662 -2.605
23 HD21 ASN 4 1HD2 ASN 4 -1.763 9.866 -6.018
24 HD22 ASN 4 2HD2 ASN 4 -0.292 9.203 -6.636
25 HA PRO 5 HA PRO 5 -6.234 10.351 -4.904
26 HB2 PRO 5 2HB PRO 5 -6.405 12.939 -4.101
27 HB3 PRO 5 3HB PRO 5 -6.906 11.583 -3.084
28 HG2 PRO 5 2HG PRO 5 -4.353 13.146 -3.035
29 HG3 PRO 5 3HG PRO 5 -5.352 12.591 -1.678
30 HD2 PRO 5 2HD PRO 5 -3.096 11.306 -2.447
31 HD3 PRO 5 3HD PRO 5 -4.491 10.455 -1.754
32 HA PRO 6 HA PRO 6 -4.855 12.420 -8.530
33 HB2 PRO 6 2HB PRO 6 -7.016 13.903 -9.235
34 HB3 PRO 6 3HB PRO 6 -6.968 12.143 -9.388
35 HG2 PRO 6 2HG PRO 6 -8.202 13.825 -7.241
36 HG3 PRO 6 3HG PRO 6 -8.850 12.382 -8.043
37 HD2 PRO 6 2HD PRO 6 -7.707 12.296 -5.590
38 HD3 PRO 6 3HD PRO 6 -7.608 10.945 -6.737
39 H VAL 7 H VAL 7 -3.255 13.694 -7.323
40 HA VAL 7 HA VAL 7 -3.888 16.554 -7.475
41 HB VAL 7 HB VAL 7 -2.348 15.356 -5.171
42 HG11 VAL 7 1HG1 VAL 7 -3.001 17.757 -4.296
43 HG12 VAL 7 2HG1 VAL 7 -1.571 17.504 -5.299
44 HG13 VAL 7 3HG1 VAL 7 -3.059 18.117 -6.021
45 HG21 VAL 7 1HG2 VAL 7 -5.209 16.293 -5.317
46 HG22 VAL 7 2HG2 VAL 7 -4.631 14.673 -4.928
47 HG23 VAL 7 3HG2 VAL 7 -4.339 16.005 -3.810
48 HA PRO 8 HA PRO 8 0.087 15.419 -9.608
49 HB2 PRO 8 2HB PRO 8 -0.474 16.776 -11.891
50 HB3 PRO 8 3HB PRO 8 -0.982 15.105 -11.617
51 HG2 PRO 8 2HG PRO 8 -2.555 17.635 -11.325
52 HG3 PRO 8 3HG PRO 8 -3.044 16.091 -12.046
53 HD2 PRO 8 2HD PRO 8 -3.763 16.821 -9.540
54 HD3 PRO 8 3HD PRO 8 -3.482 15.129 -9.997
55 HN1 NH2 9 HN1 NH2 9 1.473 16.664 -8.412
56 HN2 NH2 9 HN2 NH2 9 1.648 18.378 -8.593
Start of MODEL 20
1 H1 ACE 1 1H1 ACE 1 1.487 0.535 -2.834
2 H2 ACE 1 2H1 ACE 1 2.083 0.569 -1.157
3 H3 ACE 1 3H1 ACE 1 0.368 0.905 -1.499
4 H GLU 2 H GLU 2 1.360 2.724 -0.049
5 HA GLU 2 HA GLU 2 1.641 4.977 0.131
6 HB2 GLU 2 2HB GLU 2 3.721 4.175 -1.870
7 HB3 GLU 2 3HB GLU 2 3.486 5.877 -1.497
8 HG2 GLU 2 2HG GLU 2 3.738 5.160 0.957
9 HG3 GLU 2 3HG GLU 2 4.414 3.672 0.297
10 H VAL 3 H VAL 3 -0.388 3.952 -1.743
11 HA VAL 3 HA VAL 3 -0.511 5.487 -4.090
12 HB VAL 3 HB VAL 3 -2.907 4.991 -4.118
13 HG11 VAL 3 1HG1 VAL 3 -1.553 3.245 -4.945
14 HG12 VAL 3 2HG1 VAL 3 -1.065 2.751 -3.323
15 HG13 VAL 3 3HG1 VAL 3 -2.719 2.475 -3.870
16 HG21 VAL 3 1HG2 VAL 3 -3.886 5.086 -2.093
17 HG22 VAL 3 2HG2 VAL 3 -3.485 3.370 -2.030
18 HG23 VAL 3 3HG2 VAL 3 -2.434 4.551 -1.248
19 H ASN 4 H ASN 4 -2.246 7.159 -4.505
20 HA ASN 4 HA ASN 4 -3.092 8.822 -2.341
21 HB2 ASN 4 2HB ASN 4 -1.761 10.833 -3.430
22 HB3 ASN 4 3HB ASN 4 -1.023 9.821 -2.191
23 HD21 ASN 4 1HD2 ASN 4 -1.366 10.141 -5.694
24 HD22 ASN 4 2HD2 ASN 4 0.203 9.528 -6.080
25 HA PRO 5 HA PRO 5 -6.038 10.160 -5.304
26 HB2 PRO 5 2HB PRO 5 -6.509 12.722 -4.542
27 HB3 PRO 5 3HB PRO 5 -7.068 11.326 -3.614
28 HG2 PRO 5 2HG PRO 5 -4.668 13.059 -3.170
29 HG3 PRO 5 3HG PRO 5 -5.824 12.425 -1.985
30 HD2 PRO 5 2HD PRO 5 -3.393 11.305 -2.390
31 HD3 PRO 5 3HD PRO 5 -4.817 10.353 -1.922
32 HA PRO 6 HA PRO 6 -4.258 12.350 -8.676
33 HB2 PRO 6 2HB PRO 6 -6.381 13.689 -9.711
34 HB3 PRO 6 3HB PRO 6 -6.188 11.938 -9.852
35 HG2 PRO 6 2HG PRO 6 -7.854 13.512 -7.925
36 HG3 PRO 6 3HG PRO 6 -8.268 12.035 -8.816
37 HD2 PRO 6 2HD PRO 6 -7.517 12.005 -6.215
38 HD3 PRO 6 3HD PRO 6 -7.148 10.674 -7.330
39 H VAL 7 H VAL 7 -2.932 13.730 -7.302
40 HA VAL 7 HA VAL 7 -3.920 16.508 -7.208
41 HB VAL 7 HB VAL 7 -1.837 15.304 -5.384
42 HG11 VAL 7 1HG1 VAL 7 -1.894 17.336 -4.193
43 HG12 VAL 7 2HG1 VAL 7 -1.795 17.791 -5.895
44 HG13 VAL 7 3HG1 VAL 7 -3.337 17.887 -5.044
45 HG21 VAL 7 1HG2 VAL 7 -4.778 15.785 -4.950
46 HG22 VAL 7 2HG2 VAL 7 -3.905 14.257 -4.834
47 HG23 VAL 7 3HG2 VAL 7 -3.630 15.523 -3.637
48 HA PRO 8 HA PRO 8 -0.298 16.291 -10.115
49 HB2 PRO 8 2HB PRO 8 -1.449 17.823 -12.038
50 HB3 PRO 8 3HB PRO 8 -1.675 16.073 -11.941
51 HG2 PRO 8 2HG PRO 8 -3.480 18.270 -11.007
52 HG3 PRO 8 3HG PRO 8 -3.891 16.773 -11.863
53 HD2 PRO 8 2HD PRO 8 -4.216 17.059 -9.190
54 HD3 PRO 8 3HD PRO 8 -3.808 15.503 -9.941
55 HN1 NH2 9 HN1 NH2 9 1.210 17.594 -9.229
56 HN2 NH2 9 HN2 NH2 9 1.088 19.315 -9.083