Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
595985 | 2n0g RC | 25524 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 1.861 11.556 0.496
2 H2 GLY 1 HT2 GLY 1 3.219 10.844 1.230
3 H3 GLY 1 HT3 GLY 1 1.667 10.208 1.505
4 HA2 GLY 1 HA1 GLY 1 2.065 10.285 -1.227
5 HA3 GLY 1 HA2 GLY 1 3.505 9.568 -0.478
6 H ASN 2 HN ASN 2 1.718 8.183 -2.181
7 HA ASN 2 HA ASN 2 -0.115 6.607 -0.546
8 HB2 ASN 2 HB2 ASN 2 -0.235 7.125 -3.078
9 HB3 ASN 2 HB1 ASN 2 0.936 5.804 -3.266
10 HD21 ASN 2 HD21 ASN 2 -2.040 6.394 -1.289
11 HD22 ASN 2 HD22 ASN 2 -2.803 4.859 -1.719
12 H HIS 3 HN HIS 3 1.164 5.785 1.143
13 HA HIS 3 HA HIS 3 3.126 3.663 0.288
14 HB2 HIS 3 HB2 HIS 3 4.025 5.617 1.609
15 HB3 HIS 3 HB1 HIS 3 3.007 5.074 2.956
16 HD1 HIS 3 HD1 HIS 3 3.749 3.012 4.305
17 HD2 HIS 3 HD2 HIS 3 6.111 3.760 0.903
18 HE1 HIS 3 HE1 HIS 3 5.843 1.590 4.519
19 H TRP 4 HN TRP 4 0.332 4.493 2.276
20 HA TRP 4 HA TRP 4 0.241 2.099 3.823
21 HB2 TRP 4 HB2 TRP 4 -1.124 4.336 3.955
22 HB3 TRP 4 HB1 TRP 4 -2.269 3.496 2.897
23 HD1 TRP 4 HD1 TRP 4 -1.360 3.908 6.491
24 HE1 TRP 4 HE1 TRP 4 -2.668 2.235 7.988
25 HE3 TRP 4 HE3 TRP 4 -3.180 0.854 2.818
26 HZ2 TRP 4 HZ2 TRP 4 -4.238 -0.055 7.601
27 HZ3 TRP 4 HZ3 TRP 4 -4.567 -1.065 3.456
28 HH2 TRP 4 HH2 TRP 4 -5.098 -1.512 5.823
29 H ALA 5 HN ALA 5 -1.186 2.932 0.658
30 HA ALA 5 HA ALA 5 -2.641 0.520 0.297
31 HB1 ALA 5 HB1 ALA 5 -2.730 1.105 -2.039
32 HB2 ALA 5 HB2 ALA 5 -1.305 2.161 -1.874
33 HB3 ALA 5 HB3 ALA 5 -2.839 2.604 -1.087
34 H VAL 6 HN VAL 6 0.753 1.329 -0.325
35 HA VAL 6 HA VAL 6 1.475 -0.943 -1.855
36 HB VAL 6 HB VAL 6 3.147 0.495 0.216
37 HG11 VAL 6 HG11 VAL 6 3.837 -1.373 -2.057
38 HG12 VAL 6 HG12 VAL 6 4.234 -1.552 -0.331
39 HG13 VAL 6 HG13 VAL 6 5.030 -0.291 -1.301
40 HG21 VAL 6 HG21 VAL 6 3.984 1.804 -1.717
41 HG22 VAL 6 HG22 VAL 6 2.243 2.052 -1.437
42 HG23 VAL 6 HG23 VAL 6 2.790 0.988 -2.756
43 H GLY 7 HN GLY 7 0.923 -0.576 1.608
44 HA2 GLY 7 HA1 GLY 7 2.207 -2.985 2.442
45 HA3 GLY 7 HA2 GLY 7 0.895 -2.151 3.298
46 H HIS 8 HN HIS 8 -1.018 -2.352 1.117
47 HA HIS 8 HA HIS 8 -1.952 -5.057 1.716
48 HB2 HIS 8 HB2 HIS 8 -3.313 -2.850 1.452
49 HB3 HIS 8 HB1 HIS 8 -3.249 -3.208 -0.281
50 HD1 HIS 8 HD1 HIS 8 -5.996 -3.248 0.349
51 HD2 HIS 8 HD2 HIS 8 -3.585 -6.571 1.198
52 HE1 HIS 8 HE1 HIS 8 -7.543 -5.216 0.779
53 H LEU 9 HN LEU 9 -0.356 -3.394 -0.913
54 HA LEU 9 HA LEU 9 -0.974 -5.439 -2.913
55 HB2 LEU 9 HB2 LEU 9 1.057 -3.211 -2.847
56 HB3 LEU 9 HB1 LEU 9 0.753 -4.242 -4.253
57 HG LEU 9 HG LEU 9 -1.524 -2.715 -3.030
58 HD11 LEU 9 HD11 LEU 9 -0.778 -0.991 -4.971
59 HD12 LEU 9 HD12 LEU 9 0.831 -1.551 -4.469
60 HD13 LEU 9 HD13 LEU 9 -0.271 -0.812 -3.284
61 HD21 LEU 9 HD21 LEU 9 -2.350 -2.728 -5.330
62 HD22 LEU 9 HD22 LEU 9 -1.911 -4.379 -4.829
63 HD23 LEU 9 HD23 LEU 9 -0.824 -3.451 -5.889
64 H MET 10 HN MET 10 2.058 -4.396 -1.282
65 HA MET 10 HA MET 10 2.963 -7.256 -1.384
66 HB2 MET 10 HB2 MET 10 5.234 -6.466 -1.961
67 HB3 MET 10 HB1 MET 10 4.050 -6.167 -3.247
68 HG2 MET 10 HG2 MET 10 5.116 -4.128 -3.232
69 HG3 MET 10 HG1 MET 10 3.886 -3.807 -1.995
70 HE1 MET 10 HE1 MET 10 7.243 -2.888 -2.766
71 HE2 MET 10 HE2 MET 10 7.608 -4.629 -2.778
72 HE3 MET 10 HE3 MET 10 8.357 -3.572 -1.558
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 2.395 10.717 2.159
2 H2 GLY 1 HT2 GLY 1 2.911 9.149 1.757
3 H3 GLY 1 HT3 GLY 1 1.462 9.377 2.613
4 HA2 GLY 1 HA1 GLY 1 0.785 10.775 0.605
5 HA3 GLY 1 HA2 GLY 1 2.070 9.854 -0.198
6 H ASN 2 HN ASN 2 1.704 7.812 -0.863
7 HA ASN 2 HA ASN 2 -0.898 6.558 -0.008
8 HB2 ASN 2 HB2 ASN 2 -1.155 5.707 -2.292
9 HB3 ASN 2 HB1 ASN 2 -1.114 7.481 -2.269
10 HD21 ASN 2 HD21 ASN 2 0.754 4.533 -3.002
11 HD22 ASN 2 HD22 ASN 2 1.899 5.328 -4.088
12 H HIS 3 HN HIS 3 1.917 6.240 0.943
13 HA HIS 3 HA HIS 3 2.923 3.739 -0.091
14 HB2 HIS 3 HB2 HIS 3 4.360 5.306 1.091
15 HB3 HIS 3 HB1 HIS 3 3.377 5.137 2.556
16 HD1 HIS 3 HD1 HIS 3 4.307 3.574 4.249
17 HD2 HIS 3 HD2 HIS 3 5.318 2.477 0.313
18 HE1 HIS 3 HE1 HIS 3 5.873 1.581 4.408
19 H TRP 4 HN TRP 4 0.550 4.616 2.343
20 HA TRP 4 HA TRP 4 0.471 2.211 3.826
21 HB2 TRP 4 HB2 TRP 4 -0.827 4.507 4.028
22 HB3 TRP 4 HB1 TRP 4 -2.091 3.641 3.140
23 HD1 TRP 4 HD1 TRP 4 -0.648 4.082 6.586
24 HE1 TRP 4 HE1 TRP 4 -1.833 2.514 8.284
25 HE3 TRP 4 HE3 TRP 4 -3.176 1.137 3.267
26 HZ2 TRP 4 HZ2 TRP 4 -3.595 0.340 8.172
27 HZ3 TRP 4 HZ3 TRP 4 -4.598 -0.672 4.135
28 HH2 TRP 4 HH2 TRP 4 -4.804 -1.066 6.565
29 H ALA 5 HN ALA 5 -0.998 3.054 0.706
30 HA ALA 5 HA ALA 5 -2.654 0.738 0.474
31 HB1 ALA 5 HB1 ALA 5 -2.601 1.237 -1.967
32 HB2 ALA 5 HB2 ALA 5 -1.343 2.456 -1.652
33 HB3 ALA 5 HB3 ALA 5 -2.973 2.659 -0.964
34 H VAL 6 HN VAL 6 0.768 1.294 -0.166
35 HA VAL 6 HA VAL 6 1.279 -1.037 -1.725
36 HB VAL 6 HB VAL 6 3.126 0.328 0.244
37 HG11 VAL 6 HG11 VAL 6 4.890 -0.591 -1.325
38 HG12 VAL 6 HG12 VAL 6 3.603 -1.601 -2.027
39 HG13 VAL 6 HG13 VAL 6 4.050 -1.792 -0.315
40 HG21 VAL 6 HG21 VAL 6 2.213 1.896 -1.424
41 HG22 VAL 6 HG22 VAL 6 2.722 0.795 -2.726
42 HG23 VAL 6 HG23 VAL 6 3.944 1.590 -1.705
43 H GLY 7 HN GLY 7 0.685 -0.605 1.686
44 HA2 GLY 7 HA1 GLY 7 1.957 -2.913 2.708
45 HA3 GLY 7 HA2 GLY 7 0.494 -2.169 3.378
46 H HIS 8 HN HIS 8 -0.992 -2.593 0.823
47 HA HIS 8 HA HIS 8 -1.804 -5.381 1.423
48 HB2 HIS 8 HB2 HIS 8 -2.966 -3.080 -0.126
49 HB3 HIS 8 HB1 HIS 8 -3.559 -4.724 -0.428
50 HD1 HIS 8 HD1 HIS 8 -3.626 -5.882 2.422
51 HD2 HIS 8 HD2 HIS 8 -4.781 -1.940 1.511
52 HE1 HIS 8 HE1 HIS 8 -5.281 -5.158 4.208
53 H LEU 9 HN LEU 9 -0.764 -3.437 -1.408
54 HA LEU 9 HA LEU 9 -0.786 -5.519 -3.312
55 HB2 LEU 9 HB2 LEU 9 1.147 -3.206 -3.089
56 HB3 LEU 9 HB1 LEU 9 0.880 -4.182 -4.538
57 HG LEU 9 HG LEU 9 -1.360 -2.632 -3.243
58 HD11 LEU 9 HD11 LEU 9 0.800 -1.658 -5.111
59 HD12 LEU 9 HD12 LEU 9 0.142 -0.878 -3.660
60 HD13 LEU 9 HD13 LEU 9 -0.822 -0.932 -5.139
61 HD21 LEU 9 HD21 LEU 9 -2.018 -4.324 -4.878
62 HD22 LEU 9 HD22 LEU 9 -0.851 -3.669 -6.049
63 HD23 LEU 9 HD23 LEU 9 -2.266 -2.706 -5.564
64 H MET 10 HN MET 10 1.727 -4.583 -0.975
65 HA MET 10 HA MET 10 3.605 -6.581 -1.978
66 HB2 MET 10 HB2 MET 10 4.110 -4.361 -0.758
67 HB3 MET 10 HB1 MET 10 3.723 -5.241 0.731
68 HG2 MET 10 HG2 MET 10 5.726 -6.405 -1.186
69 HG3 MET 10 HG1 MET 10 6.205 -5.084 -0.110
70 HE1 MET 10 HE1 MET 10 6.774 -5.362 2.379
71 HE2 MET 10 HE2 MET 10 7.404 -6.970 2.808
72 HE3 MET 10 HE3 MET 10 7.929 -6.181 1.301
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 2.016 9.843 1.460
2 H2 GLY 1 HT2 GLY 1 3.504 10.059 0.670
3 H3 GLY 1 HT3 GLY 1 3.030 8.513 1.192
4 HA2 GLY 1 HA1 GLY 1 1.561 10.100 -0.800
5 HA3 GLY 1 HA2 GLY 1 2.810 8.908 -1.211
6 H ASN 2 HN ASN 2 2.248 6.842 -1.463
7 HA ASN 2 HA ASN 2 -0.476 6.030 -0.455
8 HB2 ASN 2 HB2 ASN 2 0.904 5.584 -3.084
9 HB3 ASN 2 HB1 ASN 2 -0.261 4.379 -2.501
10 HD21 ASN 2 HD21 ASN 2 -2.435 4.773 -2.630
11 HD22 ASN 2 HD22 ASN 2 -3.105 6.269 -3.289
12 H HIS 3 HN HIS 3 2.180 5.813 0.848
13 HA HIS 3 HA HIS 3 3.242 3.194 0.638
14 HB2 HIS 3 HB2 HIS 3 4.380 4.934 1.875
15 HB3 HIS 3 HB1 HIS 3 3.035 5.048 3.023
16 HD1 HIS 3 HD1 HIS 3 2.834 3.244 4.874
17 HD2 HIS 3 HD2 HIS 3 6.191 2.891 2.359
18 HE1 HIS 3 HE1 HIS 3 4.363 1.500 5.910
19 H TRP 4 HN TRP 4 0.296 4.363 2.107
20 HA TRP 4 HA TRP 4 -0.144 2.123 3.862
21 HB2 TRP 4 HB2 TRP 4 -1.295 4.493 3.674
22 HB3 TRP 4 HB1 TRP 4 -2.430 3.642 2.614
23 HD1 TRP 4 HD1 TRP 4 -1.740 4.346 6.213
24 HE1 TRP 4 HE1 TRP 4 -3.287 2.941 7.756
25 HE3 TRP 4 HE3 TRP 4 -3.557 1.089 2.719
26 HZ2 TRP 4 HZ2 TRP 4 -5.015 0.754 7.471
27 HZ3 TRP 4 HZ3 TRP 4 -5.144 -0.641 3.425
28 HH2 TRP 4 HH2 TRP 4 -5.872 -0.803 5.779
29 H ALA 5 HN ALA 5 -1.123 2.850 0.509
30 HA ALA 5 HA ALA 5 -2.684 0.429 0.225
31 HB1 ALA 5 HB1 ALA 5 -1.479 2.305 -1.829
32 HB2 ALA 5 HB2 ALA 5 -3.141 2.340 -1.188
33 HB3 ALA 5 HB3 ALA 5 -2.607 0.981 -2.206
34 H VAL 6 HN VAL 6 0.653 1.367 -0.587
35 HA VAL 6 HA VAL 6 1.368 -0.951 -2.052
36 HB VAL 6 HB VAL 6 3.107 0.693 -0.188
37 HG11 VAL 6 HG11 VAL 6 3.751 -1.302 -2.365
38 HG12 VAL 6 HG12 VAL 6 4.265 -1.331 -0.662
39 HG13 VAL 6 HG13 VAL 6 4.930 -0.109 -1.770
40 HG21 VAL 6 HG21 VAL 6 3.614 2.091 -2.031
41 HG22 VAL 6 HG22 VAL 6 1.847 1.896 -2.075
42 HG23 VAL 6 HG23 VAL 6 2.870 0.961 -3.188
43 H GLY 7 HN GLY 7 0.937 -0.449 1.396
44 HA2 GLY 7 HA1 GLY 7 2.405 -2.813 2.203
45 HA3 GLY 7 HA2 GLY 7 1.256 -1.886 3.188
46 H HIS 8 HN HIS 8 -0.819 -2.222 1.001
47 HA HIS 8 HA HIS 8 -1.803 -4.836 1.996
48 HB2 HIS 8 HB2 HIS 8 -3.128 -2.597 1.771
49 HB3 HIS 8 HB1 HIS 8 -3.280 -3.048 0.064
50 HD1 HIS 8 HD1 HIS 8 -3.569 -5.162 3.283
51 HD2 HIS 8 HD2 HIS 8 -5.672 -4.264 -0.252
52 HE1 HIS 8 HE1 HIS 8 -5.755 -6.453 3.365
53 H LEU 9 HN LEU 9 -1.007 -3.224 -1.090
54 HA LEU 9 HA LEU 9 -1.709 -5.487 -2.734
55 HB2 LEU 9 HB2 LEU 9 0.091 -3.112 -3.184
56 HB3 LEU 9 HB1 LEU 9 -0.260 -4.307 -4.441
57 HG LEU 9 HG LEU 9 -2.512 -2.877 -3.056
58 HD11 LEU 9 HD11 LEU 9 -1.111 -1.043 -3.715
59 HD12 LEU 9 HD12 LEU 9 -2.408 -1.185 -4.927
60 HD13 LEU 9 HD13 LEU 9 -0.777 -1.799 -5.291
61 HD21 LEU 9 HD21 LEU 9 -2.117 -3.993 -5.851
62 HD22 LEU 9 HD22 LEU 9 -3.605 -3.230 -5.246
63 HD23 LEU 9 HD23 LEU 9 -3.042 -4.763 -4.541
64 H MET 10 HN MET 10 1.375 -4.302 -1.367
65 HA MET 10 HA MET 10 2.666 -6.866 -2.258
66 HB2 MET 10 HB2 MET 10 3.635 -4.089 -1.735
67 HB3 MET 10 HB1 MET 10 4.753 -5.426 -1.397
68 HG2 MET 10 HG2 MET 10 4.696 -6.156 -3.654
69 HG3 MET 10 HG1 MET 10 3.312 -5.113 -4.034
70 HE1 MET 10 HE1 MET 10 6.845 -5.497 -4.902
71 HE2 MET 10 HE2 MET 10 7.068 -5.350 -3.142
72 HE3 MET 10 HE3 MET 10 7.732 -4.108 -4.229
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 2.632 10.495 -3.082
2 H2 GLY 1 HT2 GLY 1 3.121 8.936 -2.614
3 H3 GLY 1 HT3 GLY 1 3.936 10.302 -2.018
4 HA2 GLY 1 HA1 GLY 1 2.675 10.079 -0.258
5 HA3 GLY 1 HA2 GLY 1 1.448 10.841 -1.287
6 H ASN 2 HN ASN 2 2.627 7.663 -2.111
7 HA ASN 2 HA ASN 2 0.119 6.459 -0.954
8 HB2 ASN 2 HB2 ASN 2 1.227 6.362 -3.738
9 HB3 ASN 2 HB1 ASN 2 0.401 4.921 -3.111
10 HD21 ASN 2 HD21 ASN 2 -1.833 5.134 -2.370
11 HD22 ASN 2 HD22 ASN 2 -2.845 6.397 -3.078
12 H HIS 3 HN HIS 3 1.347 5.755 0.835
13 HA HIS 3 HA HIS 3 3.224 3.495 0.156
14 HB2 HIS 3 HB2 HIS 3 4.146 5.593 1.337
15 HB3 HIS 3 HB1 HIS 3 3.243 5.029 2.754
16 HD1 HIS 3 HD1 HIS 3 4.030 2.806 3.908
17 HD2 HIS 3 HD2 HIS 3 6.516 4.290 0.852
18 HE1 HIS 3 HE1 HIS 3 6.207 1.502 4.016
19 H TRP 4 HN TRP 4 0.535 4.660 2.131
20 HA TRP 4 HA TRP 4 0.334 2.411 3.869
21 HB2 TRP 4 HB2 TRP 4 -0.891 4.709 3.881
22 HB3 TRP 4 HB1 TRP 4 -2.086 3.906 2.848
23 HD1 TRP 4 HD1 TRP 4 -1.158 4.399 6.435
24 HE1 TRP 4 HE1 TRP 4 -2.614 2.907 7.985
25 HE3 TRP 4 HE3 TRP 4 -3.226 1.370 2.875
26 HZ2 TRP 4 HZ2 TRP 4 -4.373 0.749 7.681
27 HZ3 TRP 4 HZ3 TRP 4 -4.777 -0.395 3.576
28 HH2 TRP 4 HH2 TRP 4 -5.350 -0.698 5.958
29 H ALA 5 HN ALA 5 -1.209 3.079 0.706
30 HA ALA 5 HA ALA 5 -2.730 0.674 0.595
31 HB1 ALA 5 HB1 ALA 5 -3.111 2.592 -0.890
32 HB2 ALA 5 HB2 ALA 5 -2.857 1.095 -1.820
33 HB3 ALA 5 HB3 ALA 5 -1.546 2.290 -1.681
34 H VAL 6 HN VAL 6 0.640 1.372 -0.183
35 HA VAL 6 HA VAL 6 1.254 -0.920 -1.691
36 HB VAL 6 HB VAL 6 3.031 0.457 0.319
37 HG11 VAL 6 HG11 VAL 6 3.602 -1.425 -1.964
38 HG12 VAL 6 HG12 VAL 6 4.033 -1.618 -0.247
39 HG13 VAL 6 HG13 VAL 6 4.845 -0.381 -1.236
40 HG21 VAL 6 HG21 VAL 6 2.771 0.944 -2.658
41 HG22 VAL 6 HG22 VAL 6 3.795 1.842 -1.513
42 HG23 VAL 6 HG23 VAL 6 2.023 1.968 -1.409
43 H GLY 7 HN GLY 7 0.584 -0.576 1.705
44 HA2 GLY 7 HA1 GLY 7 1.913 -2.809 2.767
45 HA3 GLY 7 HA2 GLY 7 0.357 -2.189 3.349
46 H HIS 8 HN HIS 8 -1.121 -2.669 0.925
47 HA HIS 8 HA HIS 8 -1.592 -5.560 1.330
48 HB2 HIS 8 HB2 HIS 8 -3.038 -3.526 -0.389
49 HB3 HIS 8 HB1 HIS 8 -3.568 -5.188 -0.079
50 HD1 HIS 8 HD1 HIS 8 -2.769 -5.072 3.066
51 HD2 HIS 8 HD2 HIS 8 -5.349 -2.542 0.907
52 HE1 HIS 8 HE1 HIS 8 -4.291 -3.938 4.756
53 H LEU 9 HN LEU 9 -0.252 -3.371 -1.073
54 HA LEU 9 HA LEU 9 -0.346 -5.201 -3.291
55 HB2 LEU 9 HB2 LEU 9 1.466 -2.878 -2.686
56 HB3 LEU 9 HB1 LEU 9 1.454 -3.726 -4.227
57 HG LEU 9 HG LEU 9 -1.053 -2.461 -3.145
58 HD11 LEU 9 HD11 LEU 9 0.012 -0.752 -5.137
59 HD12 LEU 9 HD12 LEU 9 1.363 -1.066 -4.039
60 HD13 LEU 9 HD13 LEU 9 -0.163 -0.403 -3.411
61 HD21 LEU 9 HD21 LEU 9 -0.068 -3.181 -5.925
62 HD22 LEU 9 HD22 LEU 9 -1.609 -2.364 -5.572
63 HD23 LEU 9 HD23 LEU 9 -1.332 -4.018 -4.997
64 H MET 10 HN MET 10 1.876 -4.730 -0.606
65 HA MET 10 HA MET 10 4.013 -6.314 -1.754
66 HB2 MET 10 HB2 MET 10 4.089 -4.572 0.160
67 HB3 MET 10 HB1 MET 10 3.563 -5.903 1.204
68 HG2 MET 10 HG2 MET 10 5.963 -6.247 -0.585
69 HG3 MET 10 HG1 MET 10 6.109 -5.389 0.956
70 HE1 MET 10 HE1 MET 10 6.733 -6.476 3.024
71 HE2 MET 10 HE2 MET 10 4.974 -6.587 3.277
72 HE3 MET 10 HE3 MET 10 6.014 -7.987 3.633
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 1.291 7.346 -4.878
2 H2 GLY 1 HT2 GLY 1 2.506 7.048 -6.029
3 H3 GLY 1 HT3 GLY 1 2.610 8.403 -5.009
4 HA2 GLY 1 HA1 GLY 1 3.193 5.619 -4.501
5 HA3 GLY 1 HA2 GLY 1 4.011 7.083 -3.924
6 H ASN 2 HN ASN 2 1.208 4.958 -3.500
7 HA ASN 2 HA ASN 2 0.551 6.287 -0.918
8 HB2 ASN 2 HB2 ASN 2 -0.795 3.895 -2.128
9 HB3 ASN 2 HB1 ASN 2 -1.465 5.035 -0.949
10 HD21 ASN 2 HD21 ASN 2 -2.223 4.045 -3.792
11 HD22 ASN 2 HD22 ASN 2 -2.502 5.551 -4.674
12 H HIS 3 HN HIS 3 2.241 5.748 0.431
13 HA HIS 3 HA HIS 3 3.428 3.192 0.683
14 HB2 HIS 3 HB2 HIS 3 4.435 5.115 1.706
15 HB3 HIS 3 HB1 HIS 3 3.000 5.398 2.709
16 HD1 HIS 3 HD1 HIS 3 3.098 4.506 5.035
17 HD2 HIS 3 HD2 HIS 3 5.867 2.676 2.446
18 HE1 HIS 3 HE1 HIS 3 4.443 2.857 6.422
19 H TRP 4 HN TRP 4 0.434 4.498 2.025
20 HA TRP 4 HA TRP 4 0.018 2.328 3.896
21 HB2 TRP 4 HB2 TRP 4 -1.047 4.731 3.737
22 HB3 TRP 4 HB1 TRP 4 -2.253 3.929 2.719
23 HD1 TRP 4 HD1 TRP 4 -1.391 4.584 6.298
24 HE1 TRP 4 HE1 TRP 4 -2.957 3.262 7.891
25 HE3 TRP 4 HE3 TRP 4 -3.521 1.462 2.860
26 HZ2 TRP 4 HZ2 TRP 4 -4.821 1.181 7.662
27 HZ3 TRP 4 HZ3 TRP 4 -5.184 -0.177 3.619
28 HH2 TRP 4 HH2 TRP 4 -5.832 -0.311 5.998
29 H ALA 5 HN ALA 5 -1.077 3.018 0.573
30 HA ALA 5 HA ALA 5 -2.773 0.689 0.416
31 HB1 ALA 5 HB1 ALA 5 -2.553 2.900 -1.080
32 HB2 ALA 5 HB2 ALA 5 -3.239 1.391 -1.717
33 HB3 ALA 5 HB3 ALA 5 -1.553 1.813 -2.077
34 H VAL 6 HN VAL 6 0.580 1.371 -0.595
35 HA VAL 6 HA VAL 6 1.110 -1.043 -1.941
36 HB VAL 6 HB VAL 6 2.998 0.525 -0.165
37 HG11 VAL 6 HG11 VAL 6 4.724 -0.445 -1.769
38 HG12 VAL 6 HG12 VAL 6 3.449 -1.568 -2.301
39 HG13 VAL 6 HG13 VAL 6 4.001 -1.582 -0.608
40 HG21 VAL 6 HG21 VAL 6 3.050 0.791 -3.138
41 HG22 VAL 6 HG22 VAL 6 3.335 2.013 -1.878
42 HG23 VAL 6 HG23 VAL 6 1.677 1.543 -2.308
43 H GLY 7 HN GLY 7 0.758 -0.404 1.482
44 HA2 GLY 7 HA1 GLY 7 2.157 -2.603 2.553
45 HA3 GLY 7 HA2 GLY 7 0.716 -1.863 3.273
46 H HIS 8 HN HIS 8 -0.920 -2.496 0.861
47 HA HIS 8 HA HIS 8 -1.569 -5.278 1.672
48 HB2 HIS 8 HB2 HIS 8 -2.969 -3.157 0.044
49 HB3 HIS 8 HB1 HIS 8 -3.536 -4.837 0.061
50 HD1 HIS 8 HD1 HIS 8 -3.812 -5.802 2.724
51 HD2 HIS 8 HD2 HIS 8 -4.371 -1.726 1.838
52 HE1 HIS 8 HE1 HIS 8 -5.086 -4.783 4.672
53 H LEU 9 HN LEU 9 -0.375 -3.442 -1.103
54 HA LEU 9 HA LEU 9 -0.655 -5.573 -3.023
55 HB2 LEU 9 HB2 LEU 9 1.404 -3.368 -3.088
56 HB3 LEU 9 HB1 LEU 9 0.709 -4.250 -4.453
57 HG LEU 9 HG LEU 9 -0.793 -2.322 -2.669
58 HD11 LEU 9 HD11 LEU 9 1.027 -1.372 -4.234
59 HD12 LEU 9 HD12 LEU 9 -0.614 -0.709 -4.382
60 HD13 LEU 9 HD13 LEU 9 -0.029 -1.904 -5.561
61 HD21 LEU 9 HD21 LEU 9 -2.494 -2.479 -4.539
62 HD22 LEU 9 HD22 LEU 9 -2.320 -3.952 -3.556
63 HD23 LEU 9 HD23 LEU 9 -1.561 -3.859 -5.164
64 H MET 10 HN MET 10 1.863 -4.643 -0.718
65 HA MET 10 HA MET 10 3.982 -6.213 -1.729
66 HB2 MET 10 HB2 MET 10 3.882 -4.513 0.243
67 HB3 MET 10 HB1 MET 10 3.470 -5.922 1.236
68 HG2 MET 10 HG2 MET 10 5.899 -5.972 -0.543
69 HG3 MET 10 HG1 MET 10 5.957 -5.183 1.038
70 HE1 MET 10 HE1 MET 10 7.139 -9.290 0.421
71 HE2 MET 10 HE2 MET 10 6.100 -8.623 -0.861
72 HE3 MET 10 HE3 MET 10 7.525 -7.711 -0.306
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 3.222 9.486 0.731
2 H2 GLY 1 HT2 GLY 1 3.675 10.835 -0.195
3 H3 GLY 1 HT3 GLY 1 4.264 9.292 -0.591
4 HA2 GLY 1 HA1 GLY 1 1.571 10.393 -0.913
5 HA3 GLY 1 HA2 GLY 1 2.633 9.666 -2.133
6 H ASN 2 HN ASN 2 2.251 7.636 -2.704
7 HA ASN 2 HA ASN 2 0.207 6.121 -1.224
8 HB2 ASN 2 HB2 ASN 2 1.696 5.784 -3.814
9 HB3 ASN 2 HB1 ASN 2 0.845 4.392 -3.111
10 HD21 ASN 2 HD21 ASN 2 -1.280 4.152 -3.530
11 HD22 ASN 2 HD22 ASN 2 -2.310 5.415 -4.212
12 H HIS 3 HN HIS 3 1.035 5.481 0.722
13 HA HIS 3 HA HIS 3 3.340 3.549 0.550
14 HB2 HIS 3 HB2 HIS 3 3.628 5.870 1.758
15 HB3 HIS 3 HB1 HIS 3 2.731 5.084 3.068
16 HD1 HIS 3 HD1 HIS 3 6.093 5.567 1.738
17 HD2 HIS 3 HD2 HIS 3 4.083 2.436 3.708
18 HE1 HIS 3 HE1 HIS 3 7.869 4.085 2.794
19 H TRP 4 HN TRP 4 0.323 4.482 2.204
20 HA TRP 4 HA TRP 4 0.154 2.152 3.852
21 HB2 TRP 4 HB2 TRP 4 -1.197 4.387 3.871
22 HB3 TRP 4 HB1 TRP 4 -2.286 3.551 2.750
23 HD1 TRP 4 HD1 TRP 4 -1.577 3.972 6.396
24 HE1 TRP 4 HE1 TRP 4 -3.018 2.345 7.818
25 HE3 TRP 4 HE3 TRP 4 -3.274 0.957 2.635
26 HZ2 TRP 4 HZ2 TRP 4 -4.631 0.101 7.351
27 HZ3 TRP 4 HZ3 TRP 4 -4.752 -0.917 3.195
28 HH2 TRP 4 HH2 TRP 4 -5.430 -1.337 5.531
29 H ALA 5 HN ALA 5 -1.361 2.901 0.687
30 HA ALA 5 HA ALA 5 -2.687 0.426 0.359
31 HB1 ALA 5 HB1 ALA 5 -1.520 2.340 -1.677
32 HB2 ALA 5 HB2 ALA 5 -3.200 2.261 -1.091
33 HB3 ALA 5 HB3 ALA 5 -2.546 0.949 -2.101
34 H VAL 6 HN VAL 6 0.664 1.361 -0.331
35 HA VAL 6 HA VAL 6 1.443 -0.901 -1.844
36 HB VAL 6 HB VAL 6 3.088 0.646 0.177
37 HG11 VAL 6 HG11 VAL 6 3.831 -1.264 -2.046
38 HG12 VAL 6 HG12 VAL 6 4.256 -1.369 -0.321
39 HG13 VAL 6 HG13 VAL 6 4.987 -0.108 -1.343
40 HG21 VAL 6 HG21 VAL 6 2.007 2.024 -1.618
41 HG22 VAL 6 HG22 VAL 6 2.863 1.029 -2.821
42 HG23 VAL 6 HG23 VAL 6 3.786 2.032 -1.677
43 H GLY 7 HN GLY 7 0.804 -0.550 1.584
44 HA2 GLY 7 HA1 GLY 7 2.233 -2.904 2.432
45 HA3 GLY 7 HA2 GLY 7 0.947 -2.074 3.315
46 H HIS 8 HN HIS 8 -0.879 -2.375 0.931
47 HA HIS 8 HA HIS 8 -1.767 -5.139 1.634
48 HB2 HIS 8 HB2 HIS 8 -3.423 -3.414 1.923
49 HB3 HIS 8 HB1 HIS 8 -3.152 -2.816 0.276
50 HD1 HIS 8 HD1 HIS 8 -3.892 -4.473 -1.728
51 HD2 HIS 8 HD2 HIS 8 -5.423 -5.238 2.116
52 HE1 HIS 8 HE1 HIS 8 -5.820 -6.103 -2.004
53 H LEU 9 HN LEU 9 -0.971 -3.075 -1.161
54 HA LEU 9 HA LEU 9 -1.594 -5.027 -3.164
55 HB2 LEU 9 HB2 LEU 9 0.470 -2.827 -3.275
56 HB3 LEU 9 HB1 LEU 9 -0.257 -3.655 -4.659
57 HG LEU 9 HG LEU 9 -1.954 -2.109 -2.707
58 HD11 LEU 9 HD11 LEU 9 -0.431 -1.024 -5.093
59 HD12 LEU 9 HD12 LEU 9 -0.269 -0.517 -3.396
60 HD13 LEU 9 HD13 LEU 9 -1.768 -0.172 -4.286
61 HD21 LEU 9 HD21 LEU 9 -2.232 -2.826 -5.643
62 HD22 LEU 9 HD22 LEU 9 -3.410 -1.879 -4.704
63 HD23 LEU 9 HD23 LEU 9 -3.106 -3.583 -4.291
64 H MET 10 HN MET 10 1.288 -4.400 -1.213
65 HA MET 10 HA MET 10 3.159 -5.941 -2.670
66 HB2 MET 10 HB2 MET 10 4.336 -6.204 -0.499
67 HB3 MET 10 HB1 MET 10 3.850 -4.532 -0.836
68 HG2 MET 10 HG2 MET 10 3.190 -4.694 1.357
69 HG3 MET 10 HG1 MET 10 1.712 -5.285 0.580
70 HE1 MET 10 HE1 MET 10 4.575 -7.497 3.347
71 HE2 MET 10 HE2 MET 10 5.057 -6.148 2.289
72 HE3 MET 10 HE3 MET 10 3.835 -5.891 3.558
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 3.081 10.825 1.225
2 H2 GLY 1 HT2 GLY 1 3.072 9.252 1.866
3 H3 GLY 1 HT3 GLY 1 1.635 10.157 1.804
4 HA2 GLY 1 HA1 GLY 1 1.874 10.215 -0.638
5 HA3 GLY 1 HA2 GLY 1 3.173 9.025 -0.427
6 H ASN 2 HN ASN 2 2.019 7.487 -1.652
7 HA ASN 2 HA ASN 2 -0.496 6.469 -0.366
8 HB2 ASN 2 HB2 ASN 2 -0.381 7.099 -2.851
9 HB3 ASN 2 HB1 ASN 2 0.627 5.652 -3.055
10 HD21 ASN 2 HD21 ASN 2 -0.741 4.350 -4.220
11 HD22 ASN 2 HD22 ASN 2 -2.313 3.814 -3.616
12 H HIS 3 HN HIS 3 2.228 6.039 0.702
13 HA HIS 3 HA HIS 3 3.102 3.379 0.049
14 HB2 HIS 3 HB2 HIS 3 4.461 5.130 1.205
15 HB3 HIS 3 HB1 HIS 3 3.468 4.878 2.650
16 HD1 HIS 3 HD1 HIS 3 3.988 2.880 4.149
17 HD2 HIS 3 HD2 HIS 3 6.278 3.054 0.620
18 HE1 HIS 3 HE1 HIS 3 5.760 1.066 4.314
19 H TRP 4 HN TRP 4 0.589 4.654 2.118
20 HA TRP 4 HA TRP 4 0.270 2.463 3.889
21 HB2 TRP 4 HB2 TRP 4 -0.887 4.815 3.761
22 HB3 TRP 4 HB1 TRP 4 -2.113 3.966 2.804
23 HD1 TRP 4 HD1 TRP 4 -1.077 4.650 6.341
24 HE1 TRP 4 HE1 TRP 4 -2.542 3.307 8.011
25 HE3 TRP 4 HE3 TRP 4 -3.337 1.500 3.014
26 HZ2 TRP 4 HZ2 TRP 4 -4.388 1.202 7.876
27 HZ3 TRP 4 HZ3 TRP 4 -4.940 -0.159 3.856
28 HH2 TRP 4 HH2 TRP 4 -5.462 -0.303 6.265
29 H ALA 5 HN ALA 5 -1.162 3.068 0.667
30 HA ALA 5 HA ALA 5 -2.743 0.680 0.632
31 HB1 ALA 5 HB1 ALA 5 -1.591 2.084 -1.788
32 HB2 ALA 5 HB2 ALA 5 -2.978 2.713 -0.866
33 HB3 ALA 5 HB3 ALA 5 -3.091 1.134 -1.680
34 H VAL 6 HN VAL 6 0.609 1.372 -0.234
35 HA VAL 6 HA VAL 6 1.189 -0.951 -1.723
36 HB VAL 6 HB VAL 6 3.014 0.457 0.239
37 HG11 VAL 6 HG11 VAL 6 3.994 -1.629 -0.352
38 HG12 VAL 6 HG12 VAL 6 4.796 -0.388 -1.345
39 HG13 VAL 6 HG13 VAL 6 3.537 -1.426 -2.060
40 HG21 VAL 6 HG21 VAL 6 3.733 1.829 -1.625
41 HG22 VAL 6 HG22 VAL 6 1.966 1.958 -1.470
42 HG23 VAL 6 HG23 VAL 6 2.672 0.928 -2.735
43 H GLY 7 HN GLY 7 0.604 -0.550 1.687
44 HA2 GLY 7 HA1 GLY 7 1.953 -2.807 2.711
45 HA3 GLY 7 HA2 GLY 7 0.455 -2.124 3.372
46 H HIS 8 HN HIS 8 -0.912 -2.623 0.719
47 HA HIS 8 HA HIS 8 -1.693 -5.413 1.357
48 HB2 HIS 8 HB2 HIS 8 -2.821 -3.280 -0.460
49 HB3 HIS 8 HB1 HIS 8 -3.437 -4.941 -0.443
50 HD1 HIS 8 HD1 HIS 8 -2.331 -3.445 2.824
51 HD2 HIS 8 HD2 HIS 8 -5.867 -3.757 0.562
52 HE1 HIS 8 HE1 HIS 8 -4.267 -2.956 4.394
53 H LEU 9 HN LEU 9 -0.137 -3.532 -1.212
54 HA LEU 9 HA LEU 9 -0.141 -5.688 -3.147
55 HB2 LEU 9 HB2 LEU 9 1.681 -3.293 -2.937
56 HB3 LEU 9 HB1 LEU 9 1.463 -4.309 -4.365
57 HG LEU 9 HG LEU 9 -0.808 -2.744 -3.139
58 HD11 LEU 9 HD11 LEU 9 -0.371 -0.903 -4.512
59 HD12 LEU 9 HD12 LEU 9 0.741 -1.822 -5.551
60 HD13 LEU 9 HD13 LEU 9 1.249 -1.328 -3.932
61 HD21 LEU 9 HD21 LEU 9 -1.551 -4.496 -4.614
62 HD22 LEU 9 HD22 LEU 9 -0.330 -4.057 -5.832
63 HD23 LEU 9 HD23 LEU 9 -1.688 -2.959 -5.496
64 H MET 10 HN MET 10 2.483 -4.254 -1.152
65 HA MET 10 HA MET 10 4.250 -6.513 -1.752
66 HB2 MET 10 HB2 MET 10 4.504 -4.184 0.172
67 HB3 MET 10 HB1 MET 10 5.773 -5.383 -0.135
68 HG2 MET 10 HG2 MET 10 4.557 -3.725 -2.340
69 HG3 MET 10 HG1 MET 10 5.945 -3.163 -1.389
70 HE1 MET 10 HE1 MET 10 8.916 -4.824 -2.871
71 HE2 MET 10 HE2 MET 10 8.262 -4.591 -1.232
72 HE3 MET 10 HE3 MET 10 8.149 -3.278 -2.428
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 2.281 10.792 -1.222
2 H2 GLY 1 HT2 GLY 1 2.609 9.710 -2.490
3 H3 GLY 1 HT3 GLY 1 3.879 10.542 -1.725
4 HA2 GLY 1 HA1 GLY 1 3.928 8.380 -0.916
5 HA3 GLY 1 HA2 GLY 1 3.275 9.427 0.359
6 H ASN 2 HN ASN 2 2.845 6.594 -1.407
7 HA ASN 2 HA ASN 2 0.011 6.393 -0.418
8 HB2 ASN 2 HB2 ASN 2 0.241 6.736 -2.937
9 HB3 ASN 2 HB1 ASN 2 1.000 5.133 -2.984
10 HD21 ASN 2 HD21 ASN 2 -0.709 4.304 -4.296
11 HD22 ASN 2 HD22 ASN 2 -2.291 3.953 -3.590
12 H HIS 3 HN HIS 3 2.669 5.563 0.684
13 HA HIS 3 HA HIS 3 3.120 2.802 0.359
14 HB2 HIS 3 HB2 HIS 3 3.585 4.758 2.573
15 HB3 HIS 3 HB1 HIS 3 3.844 3.036 2.901
16 HD1 HIS 3 HD1 HIS 3 6.355 2.951 3.049
17 HD2 HIS 3 HD2 HIS 3 4.915 4.666 -0.516
18 HE1 HIS 3 HE1 HIS 3 8.367 3.366 1.552
19 H TRP 4 HN TRP 4 0.656 4.515 2.188
20 HA TRP 4 HA TRP 4 -0.196 2.502 3.947
21 HB2 TRP 4 HB2 TRP 4 -1.027 4.958 3.515
22 HB3 TRP 4 HB1 TRP 4 -2.227 4.178 2.472
23 HD1 TRP 4 HD1 TRP 4 -1.534 5.026 6.056
24 HE1 TRP 4 HE1 TRP 4 -3.335 4.000 7.619
25 HE3 TRP 4 HE3 TRP 4 -3.762 1.896 2.692
26 HZ2 TRP 4 HZ2 TRP 4 -5.398 2.117 7.395
27 HZ3 TRP 4 HZ3 TRP 4 -5.646 0.506 3.436
28 HH2 TRP 4 HH2 TRP 4 -6.459 0.619 5.767
29 H ALA 5 HN ALA 5 -0.983 2.961 0.503
30 HA ALA 5 HA ALA 5 -2.767 0.628 0.494
31 HB1 ALA 5 HB1 ALA 5 -2.894 1.064 -1.940
32 HB2 ALA 5 HB2 ALA 5 -1.671 2.343 -1.752
33 HB3 ALA 5 HB3 ALA 5 -3.260 2.506 -0.966
34 H VAL 6 HN VAL 6 0.567 1.398 -0.403
35 HA VAL 6 HA VAL 6 1.127 -0.951 -1.885
36 HB VAL 6 HB VAL 6 3.037 0.579 -0.137
37 HG11 VAL 6 HG11 VAL 6 4.028 -1.490 -0.787
38 HG12 VAL 6 HG12 VAL 6 4.707 -0.229 -1.845
39 HG13 VAL 6 HG13 VAL 6 3.432 -1.313 -2.454
40 HG21 VAL 6 HG21 VAL 6 2.612 0.985 -3.099
41 HG22 VAL 6 HG22 VAL 6 3.442 2.050 -1.941
42 HG23 VAL 6 HG23 VAL 6 1.675 1.899 -1.903
43 H GLY 7 HN GLY 7 0.768 -0.400 1.533
44 HA2 GLY 7 HA1 GLY 7 2.281 -2.600 2.512
45 HA3 GLY 7 HA2 GLY 7 0.892 -1.853 3.323
46 H HIS 8 HN HIS 8 -0.736 -2.509 0.799
47 HA HIS 8 HA HIS 8 -1.246 -5.381 1.554
48 HB2 HIS 8 HB2 HIS 8 -3.014 -3.081 0.816
49 HB3 HIS 8 HB1 HIS 8 -3.535 -4.713 0.360
50 HD1 HIS 8 HD1 HIS 8 -1.579 -4.437 3.538
51 HD2 HIS 8 HD2 HIS 8 -5.591 -4.634 2.277
52 HE1 HIS 8 HE1 HIS 8 -2.999 -4.792 5.614
53 H LEU 9 HN LEU 9 -0.613 -3.112 -1.050
54 HA LEU 9 HA LEU 9 -1.319 -4.910 -3.198
55 HB2 LEU 9 HB2 LEU 9 0.504 -2.518 -3.098
56 HB3 LEU 9 HB1 LEU 9 0.096 -3.362 -4.572
57 HG LEU 9 HG LEU 9 -2.014 -2.140 -2.804
58 HD11 LEU 9 HD11 LEU 9 -0.538 -0.320 -3.412
59 HD12 LEU 9 HD12 LEU 9 -1.999 -0.220 -4.417
60 HD13 LEU 9 HD13 LEU 9 -0.490 -0.874 -5.100
61 HD21 LEU 9 HD21 LEU 9 -1.901 -3.101 -5.679
62 HD22 LEU 9 HD22 LEU 9 -3.231 -2.114 -5.036
63 HD23 LEU 9 HD23 LEU 9 -2.918 -3.724 -4.362
64 H MET 10 HN MET 10 1.516 -4.468 -1.191
65 HA MET 10 HA MET 10 3.494 -5.643 -2.814
66 HB2 MET 10 HB2 MET 10 4.591 -6.295 -0.684
67 HB3 MET 10 HB1 MET 10 4.045 -4.607 -0.704
68 HG2 MET 10 HG2 MET 10 3.290 -5.218 1.382
69 HG3 MET 10 HG1 MET 10 1.883 -5.715 0.420
70 HE1 MET 10 HE1 MET 10 0.839 -8.013 0.698
71 HE2 MET 10 HE2 MET 10 1.396 -8.982 2.084
72 HE3 MET 10 HE3 MET 10 1.040 -7.250 2.293
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 2.734 10.933 -0.762
2 H2 GLY 1 HT2 GLY 1 1.130 10.589 -1.205
3 H3 GLY 1 HT3 GLY 1 2.282 10.967 -2.395
4 HA2 GLY 1 HA1 GLY 1 2.592 8.843 -2.658
5 HA3 GLY 1 HA2 GLY 1 3.398 8.898 -1.079
6 H ASN 2 HN ASN 2 1.950 6.687 -2.275
7 HA ASN 2 HA ASN 2 -0.308 6.461 -0.289
8 HB2 ASN 2 HB2 ASN 2 -1.151 4.675 -1.933
9 HB3 ASN 2 HB1 ASN 2 -1.315 6.375 -2.410
10 HD21 ASN 2 HD21 ASN 2 0.352 3.325 -3.014
11 HD22 ASN 2 HD22 ASN 2 1.100 3.828 -4.534
12 H HIS 3 HN HIS 3 2.307 5.983 0.515
13 HA HIS 3 HA HIS 3 3.244 3.337 0.233
14 HB2 HIS 3 HB2 HIS 3 4.438 5.203 1.364
15 HB3 HIS 3 HB1 HIS 3 3.328 5.042 2.736
16 HD1 HIS 3 HD1 HIS 3 4.136 3.599 4.597
17 HD2 HIS 3 HD2 HIS 3 6.031 2.764 0.933
18 HE1 HIS 3 HE1 HIS 3 5.836 1.762 5.034
19 H TRP 4 HN TRP 4 0.546 4.604 2.083
20 HA TRP 4 HA TRP 4 0.227 2.394 3.872
21 HB2 TRP 4 HB2 TRP 4 -0.896 4.759 3.799
22 HB3 TRP 4 HB1 TRP 4 -2.121 3.961 2.797
23 HD1 TRP 4 HD1 TRP 4 -1.182 4.564 6.360
24 HE1 TRP 4 HE1 TRP 4 -2.675 3.176 7.969
25 HE3 TRP 4 HE3 TRP 4 -3.327 1.449 2.923
26 HZ2 TRP 4 HZ2 TRP 4 -4.494 1.055 7.749
27 HZ3 TRP 4 HZ3 TRP 4 -4.926 -0.243 3.694
28 HH2 TRP 4 HH2 TRP 4 -5.509 -0.434 6.086
29 H ALA 5 HN ALA 5 -1.160 3.089 0.648
30 HA ALA 5 HA ALA 5 -2.777 0.723 0.546
31 HB1 ALA 5 HB1 ALA 5 -3.009 1.199 -1.813
32 HB2 ALA 5 HB2 ALA 5 -1.574 2.251 -1.780
33 HB3 ALA 5 HB3 ALA 5 -3.052 2.732 -0.913
34 H VAL 6 HN VAL 6 0.598 1.379 -0.248
35 HA VAL 6 HA VAL 6 1.135 -0.952 -1.774
36 HB VAL 6 HB VAL 6 2.979 0.511 0.139
37 HG11 VAL 6 HG11 VAL 6 4.755 -0.417 -1.433
38 HG12 VAL 6 HG12 VAL 6 3.489 -1.499 -2.062
39 HG13 VAL 6 HG13 VAL 6 3.976 -1.596 -0.352
40 HG21 VAL 6 HG21 VAL 6 1.910 1.907 -1.666
41 HG22 VAL 6 HG22 VAL 6 2.688 0.839 -2.859
42 HG23 VAL 6 HG23 VAL 6 3.685 1.817 -1.757
43 H GLY 7 HN GLY 7 0.621 -0.507 1.651
44 HA2 GLY 7 HA1 GLY 7 1.981 -2.721 2.708
45 HA3 GLY 7 HA2 GLY 7 0.454 -2.079 3.342
46 H HIS 8 HN HIS 8 -1.023 -2.625 0.855
47 HA HIS 8 HA HIS 8 -1.626 -5.450 1.443
48 HB2 HIS 8 HB2 HIS 8 -2.889 -3.304 -0.251
49 HB3 HIS 8 HB1 HIS 8 -3.397 -4.996 -0.402
50 HD1 HIS 8 HD1 HIS 8 -2.596 -2.912 2.742
51 HD2 HIS 8 HD2 HIS 8 -5.641 -5.280 1.058
52 HE1 HIS 8 HE1 HIS 8 -4.520 -2.946 4.401
53 H LEU 9 HN LEU 9 -0.169 -3.509 -1.125
54 HA LEU 9 HA LEU 9 -0.184 -5.531 -3.155
55 HB2 LEU 9 HB2 LEU 9 1.717 -3.244 -2.671
56 HB3 LEU 9 HB1 LEU 9 1.663 -4.198 -4.157
57 HG LEU 9 HG LEU 9 -0.697 -2.618 -3.120
58 HD11 LEU 9 HD11 LEU 9 0.741 -1.541 -5.466
59 HD12 LEU 9 HD12 LEU 9 1.684 -1.446 -3.972
60 HD13 LEU 9 HD13 LEU 9 0.076 -0.701 -4.053
61 HD21 LEU 9 HD21 LEU 9 -0.015 -3.984 -5.734
62 HD22 LEU 9 HD22 LEU 9 -1.288 -2.748 -5.614
63 HD23 LEU 9 HD23 LEU 9 -1.422 -4.252 -4.679
64 H MET 10 HN MET 10 2.357 -4.539 -0.825
65 HA MET 10 HA MET 10 4.281 -6.473 -1.618
66 HB2 MET 10 HB2 MET 10 3.748 -4.879 0.861
67 HB3 MET 10 HB1 MET 10 4.924 -6.204 0.964
68 HG2 MET 10 HG2 MET 10 5.126 -4.146 -1.214
69 HG3 MET 10 HG1 MET 10 5.781 -3.824 0.405
70 HE1 MET 10 HE1 MET 10 7.737 -3.259 -0.901
71 HE2 MET 10 HE2 MET 10 8.985 -4.391 -1.476
72 HE3 MET 10 HE3 MET 10 8.711 -4.179 0.271
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 1.115 10.252 -2.292
2 H2 GLY 1 HT2 GLY 1 2.757 10.584 -2.575
3 H3 GLY 1 HT3 GLY 1 1.797 11.690 -1.712
4 HA2 GLY 1 HA1 GLY 1 3.387 9.790 -0.664
5 HA3 GLY 1 HA2 GLY 1 2.105 10.684 0.177
6 H ASN 2 HN ASN 2 2.292 7.994 -2.204
7 HA ASN 2 HA ASN 2 0.136 6.617 -0.663
8 HB2 ASN 2 HB2 ASN 2 0.194 7.007 -3.249
9 HB3 ASN 2 HB1 ASN 2 1.299 5.619 -3.265
10 HD21 ASN 2 HD21 ASN 2 0.159 3.901 -3.986
11 HD22 ASN 2 HD22 ASN 2 -1.427 3.425 -3.370
12 H HIS 3 HN HIS 3 0.978 5.557 1.030
13 HA HIS 3 HA HIS 3 3.189 3.603 0.426
14 HB2 HIS 3 HB2 HIS 3 2.845 5.527 2.694
15 HB3 HIS 3 HB1 HIS 3 3.619 3.964 3.018
16 HD1 HIS 3 HD1 HIS 3 4.222 7.351 1.634
17 HD2 HIS 3 HD2 HIS 3 5.971 3.539 1.287
18 HE1 HIS 3 HE1 HIS 3 6.594 7.688 0.783
19 H TRP 4 HN TRP 4 0.397 4.407 2.506
20 HA TRP 4 HA TRP 4 0.190 1.931 3.838
21 HB2 TRP 4 HB2 TRP 4 -1.151 4.169 4.065
22 HB3 TRP 4 HB1 TRP 4 -2.278 3.415 2.924
23 HD1 TRP 4 HD1 TRP 4 -1.399 3.539 6.568
24 HE1 TRP 4 HE1 TRP 4 -2.805 1.824 7.919
25 HE3 TRP 4 HE3 TRP 4 -3.318 0.876 2.653
26 HZ2 TRP 4 HZ2 TRP 4 -4.483 -0.346 7.342
27 HZ3 TRP 4 HZ3 TRP 4 -4.815 -1.015 3.129
28 HH2 TRP 4 HH2 TRP 4 -5.392 -1.616 5.453
29 H ALA 5 HN ALA 5 -1.158 2.942 0.688
30 HA ALA 5 HA ALA 5 -2.665 0.613 0.152
31 HB1 ALA 5 HB1 ALA 5 -1.131 2.262 -1.872
32 HB2 ALA 5 HB2 ALA 5 -2.699 2.732 -1.175
33 HB3 ALA 5 HB3 ALA 5 -2.570 1.262 -2.172
34 H VAL 6 HN VAL 6 0.778 1.309 -0.463
35 HA VAL 6 HA VAL 6 1.390 -1.042 -1.906
36 HB VAL 6 HB VAL 6 3.171 0.452 0.026
37 HG11 VAL 6 HG11 VAL 6 3.739 -1.551 -2.164
38 HG12 VAL 6 HG12 VAL 6 4.187 -1.651 -0.445
39 HG13 VAL 6 HG13 VAL 6 4.982 -0.462 -1.504
40 HG21 VAL 6 HG21 VAL 6 2.943 0.767 -2.977
41 HG22 VAL 6 HG22 VAL 6 3.884 1.771 -1.849
42 HG23 VAL 6 HG23 VAL 6 2.106 1.821 -1.812
43 H GLY 7 HN GLY 7 0.992 -0.483 1.552
44 HA2 GLY 7 HA1 GLY 7 2.247 -2.857 2.490
45 HA3 GLY 7 HA2 GLY 7 0.953 -1.971 3.319
46 H HIS 8 HN HIS 8 -0.895 -2.323 1.005
47 HA HIS 8 HA HIS 8 -1.745 -5.090 1.730
48 HB2 HIS 8 HB2 HIS 8 -3.200 -2.896 1.791
49 HB3 HIS 8 HB1 HIS 8 -3.386 -3.199 0.057
50 HD1 HIS 8 HD1 HIS 8 -4.508 -5.552 -0.627
51 HD2 HIS 8 HD2 HIS 8 -4.602 -4.590 3.471
52 HE1 HIS 8 HE1 HIS 8 -6.298 -7.001 0.441
53 H LEU 9 HN LEU 9 -0.632 -3.128 -0.967
54 HA LEU 9 HA LEU 9 -1.415 -5.045 -3.014
55 HB2 LEU 9 HB2 LEU 9 0.548 -2.762 -3.024
56 HB3 LEU 9 HB1 LEU 9 0.125 -3.697 -4.450
57 HG LEU 9 HG LEU 9 -2.025 -2.313 -2.873
58 HD11 LEU 9 HD11 LEU 9 -0.494 -0.514 -3.239
59 HD12 LEU 9 HD12 LEU 9 -1.744 -0.383 -4.497
60 HD13 LEU 9 HD13 LEU 9 -0.149 -1.066 -4.894
61 HD21 LEU 9 HD21 LEU 9 -3.104 -2.236 -5.100
62 HD22 LEU 9 HD22 LEU 9 -2.688 -3.899 -4.628
63 HD23 LEU 9 HD23 LEU 9 -1.676 -3.027 -5.804
64 H MET 10 HN MET 10 1.826 -3.990 -1.871
65 HA MET 10 HA MET 10 3.295 -6.038 -3.112
66 HB2 MET 10 HB2 MET 10 3.989 -3.926 -1.686
67 HB3 MET 10 HB1 MET 10 4.092 -5.099 -0.361
68 HG2 MET 10 HG2 MET 10 6.273 -4.984 -1.264
69 HG3 MET 10 HG1 MET 10 5.576 -6.467 -1.947
70 HE1 MET 10 HE1 MET 10 7.731 -5.431 -4.941
71 HE2 MET 10 HE2 MET 10 7.544 -6.456 -3.498
72 HE3 MET 10 HE3 MET 10 8.229 -4.821 -3.345
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 1.751 11.844 -0.053
2 H2 GLY 1 HT2 GLY 1 1.635 11.087 1.464
3 H3 GLY 1 HT3 GLY 1 0.472 10.778 0.265
4 HA2 GLY 1 HA1 GLY 1 2.569 10.067 -1.076
5 HA3 GLY 1 HA2 GLY 1 3.173 9.779 0.566
6 H ASN 2 HN ASN 2 1.978 8.210 -1.959
7 HA ASN 2 HA ASN 2 -0.051 6.582 -0.552
8 HB2 ASN 2 HB2 ASN 2 0.030 7.283 -3.073
9 HB3 ASN 2 HB1 ASN 2 1.120 5.900 -3.255
10 HD21 ASN 2 HD21 ASN 2 -0.315 4.683 -4.522
11 HD22 ASN 2 HD22 ASN 2 -1.799 3.998 -3.849
12 H HIS 3 HN HIS 3 1.261 5.769 1.157
13 HA HIS 3 HA HIS 3 3.202 3.645 0.252
14 HB2 HIS 3 HB2 HIS 3 4.324 5.377 1.508
15 HB3 HIS 3 HB1 HIS 3 3.117 5.270 2.802
16 HD1 HIS 3 HD1 HIS 3 4.391 4.375 4.765
17 HD2 HIS 3 HD2 HIS 3 5.322 2.385 1.175
18 HE1 HIS 3 HE1 HIS 3 5.845 2.383 5.369
19 H TRP 4 HN TRP 4 0.437 4.475 2.278
20 HA TRP 4 HA TRP 4 0.353 2.021 3.760
21 HB2 TRP 4 HB2 TRP 4 -0.926 4.294 4.053
22 HB3 TRP 4 HB1 TRP 4 -2.146 3.543 3.010
23 HD1 TRP 4 HD1 TRP 4 -0.994 3.697 6.576
24 HE1 TRP 4 HE1 TRP 4 -2.322 2.022 8.052
25 HE3 TRP 4 HE3 TRP 4 -3.244 1.022 2.852
26 HZ2 TRP 4 HZ2 TRP 4 -4.072 -0.126 7.631
27 HZ3 TRP 4 HZ3 TRP 4 -4.732 -0.836 3.463
28 HH2 TRP 4 HH2 TRP 4 -5.143 -1.400 5.830
29 H ALA 5 HN ALA 5 -1.177 3.051 0.700
30 HA ALA 5 HA ALA 5 -2.739 0.717 0.291
31 HB1 ALA 5 HB1 ALA 5 -2.951 1.427 -1.972
32 HB2 ALA 5 HB2 ALA 5 -1.420 2.334 -1.900
33 HB3 ALA 5 HB3 ALA 5 -2.839 2.906 -0.988
34 H VAL 6 HN VAL 6 0.685 1.278 -0.038
35 HA VAL 6 HA VAL 6 1.196 -0.980 -1.793
36 HB VAL 6 HB VAL 6 3.064 0.491 0.086
37 HG11 VAL 6 HG11 VAL 6 4.066 -1.603 -0.423
38 HG12 VAL 6 HG12 VAL 6 4.813 -0.417 -1.519
39 HG13 VAL 6 HG13 VAL 6 3.544 -1.510 -2.122
40 HG21 VAL 6 HG21 VAL 6 1.957 1.893 -1.682
41 HG22 VAL 6 HG22 VAL 6 2.693 0.825 -2.901
42 HG23 VAL 6 HG23 VAL 6 3.728 1.799 -1.830
43 H GLY 7 HN GLY 7 0.735 -0.549 1.644
44 HA2 GLY 7 HA1 GLY 7 2.127 -2.851 2.573
45 HA3 GLY 7 HA2 GLY 7 0.743 -2.083 3.373
46 H HIS 8 HN HIS 8 -0.929 -2.515 0.901
47 HA HIS 8 HA HIS 8 -1.768 -5.266 1.628
48 HB2 HIS 8 HB2 HIS 8 -3.462 -3.516 1.503
49 HB3 HIS 8 HB1 HIS 8 -3.010 -3.175 -0.177
50 HD1 HIS 8 HD1 HIS 8 -3.677 -4.937 -2.017
51 HD2 HIS 8 HD2 HIS 8 -5.264 -5.560 1.833
52 HE1 HIS 8 HE1 HIS 8 -5.483 -6.710 -2.231
53 H LEU 9 HN LEU 9 -0.431 -3.450 -1.102
54 HA LEU 9 HA LEU 9 -0.784 -5.529 -3.062
55 HB2 LEU 9 HB2 LEU 9 1.276 -3.314 -2.940
56 HB3 LEU 9 HB1 LEU 9 0.886 -4.289 -4.363
57 HG LEU 9 HG LEU 9 -0.984 -2.370 -2.956
58 HD11 LEU 9 HD11 LEU 9 0.835 -1.247 -4.180
59 HD12 LEU 9 HD12 LEU 9 -0.736 -0.997 -4.978
60 HD13 LEU 9 HD13 LEU 9 0.420 -2.178 -5.639
61 HD21 LEU 9 HD21 LEU 9 -2.310 -2.771 -5.148
62 HD22 LEU 9 HD22 LEU 9 -2.378 -4.027 -3.894
63 HD23 LEU 9 HD23 LEU 9 -1.314 -4.238 -5.307
64 H MET 10 HN MET 10 2.060 -4.530 -1.117
65 HA MET 10 HA MET 10 3.596 -6.854 -2.023
66 HB2 MET 10 HB2 MET 10 4.089 -4.724 0.071
67 HB3 MET 10 HB1 MET 10 5.230 -6.039 -0.270
68 HG2 MET 10 HG2 MET 10 5.232 -5.254 -2.675
69 HG3 MET 10 HG1 MET 10 4.341 -3.820 -2.121
70 HE1 MET 10 HE1 MET 10 7.977 -2.496 -2.817
71 HE2 MET 10 HE2 MET 10 6.285 -1.943 -2.809
72 HE3 MET 10 HE3 MET 10 6.736 -3.411 -3.709
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 3.689 10.573 -1.406
2 H2 GLY 1 HT2 GLY 1 3.511 8.979 -0.846
3 H3 GLY 1 HT3 GLY 1 3.255 10.287 0.207
4 HA2 GLY 1 HA1 GLY 1 1.228 10.699 -0.516
5 HA3 GLY 1 HA2 GLY 1 1.665 10.284 -2.184
6 H ASN 2 HN ASN 2 2.441 7.790 -2.249
7 HA ASN 2 HA ASN 2 0.130 6.275 -1.048
8 HB2 ASN 2 HB2 ASN 2 0.272 6.508 -3.569
9 HB3 ASN 2 HB1 ASN 2 1.742 5.516 -3.487
10 HD21 ASN 2 HD21 ASN 2 -1.729 5.541 -3.462
11 HD22 ASN 2 HD22 ASN 2 -1.949 3.801 -3.248
12 H HIS 3 HN HIS 3 0.897 5.444 0.810
13 HA HIS 3 HA HIS 3 3.295 3.647 0.551
14 HB2 HIS 3 HB2 HIS 3 2.726 5.805 2.538
15 HB3 HIS 3 HB1 HIS 3 3.503 4.329 3.135
16 HD1 HIS 3 HD1 HIS 3 4.257 7.579 1.723
17 HD2 HIS 3 HD2 HIS 3 5.877 3.717 1.304
18 HE1 HIS 3 HE1 HIS 3 6.653 7.856 0.920
19 H TRP 4 HN TRP 4 0.286 4.450 2.282
20 HA TRP 4 HA TRP 4 0.213 2.042 3.833
21 HB2 TRP 4 HB2 TRP 4 -1.181 4.286 3.937
22 HB3 TRP 4 HB1 TRP 4 -2.319 3.397 2.910
23 HD1 TRP 4 HD1 TRP 4 -1.304 3.858 6.490
24 HE1 TRP 4 HE1 TRP 4 -2.582 2.209 8.035
25 HE3 TRP 4 HE3 TRP 4 -3.254 0.805 2.892
26 HZ2 TRP 4 HZ2 TRP 4 -4.187 -0.067 7.713
27 HZ3 TRP 4 HZ3 TRP 4 -4.654 -1.097 3.584
28 HH2 TRP 4 HH2 TRP 4 -5.115 -1.524 5.973
29 H ALA 5 HN ALA 5 -1.236 2.916 0.683
30 HA ALA 5 HA ALA 5 -2.676 0.524 0.257
31 HB1 ALA 5 HB1 ALA 5 -3.090 2.295 -1.237
32 HB2 ALA 5 HB2 ALA 5 -2.251 1.083 -2.234
33 HB3 ALA 5 HB3 ALA 5 -1.369 2.496 -1.611
34 H VAL 6 HN VAL 6 0.724 1.311 -0.500
35 HA VAL 6 HA VAL 6 1.404 -1.029 -1.904
36 HB VAL 6 HB VAL 6 3.154 0.428 0.097
37 HG11 VAL 6 HG11 VAL 6 4.977 -0.360 -1.472
38 HG12 VAL 6 HG12 VAL 6 3.752 -1.404 -2.235
39 HG13 VAL 6 HG13 VAL 6 4.183 -1.640 -0.524
40 HG21 VAL 6 HG21 VAL 6 2.119 1.951 -1.571
41 HG22 VAL 6 HG22 VAL 6 2.786 0.934 -2.871
42 HG23 VAL 6 HG23 VAL 6 3.881 1.812 -1.777
43 H GLY 7 HN GLY 7 0.979 -0.512 1.563
44 HA2 GLY 7 HA1 GLY 7 2.229 -2.895 2.485
45 HA3 GLY 7 HA2 GLY 7 0.957 -2.006 3.307
46 H HIS 8 HN HIS 8 -0.818 -2.343 0.881
47 HA HIS 8 HA HIS 8 -1.832 -5.028 1.698
48 HB2 HIS 8 HB2 HIS 8 -3.194 -2.795 1.600
49 HB3 HIS 8 HB1 HIS 8 -3.285 -3.125 -0.138
50 HD1 HIS 8 HD1 HIS 8 -3.828 -5.166 3.103
51 HD2 HIS 8 HD2 HIS 8 -5.421 -4.669 -0.762
52 HE1 HIS 8 HE1 HIS 8 -5.926 -6.592 2.970
53 H LEU 9 HN LEU 9 -0.659 -3.204 -1.098
54 HA LEU 9 HA LEU 9 -1.344 -5.296 -3.012
55 HB2 LEU 9 HB2 LEU 9 0.641 -3.036 -3.285
56 HB3 LEU 9 HB1 LEU 9 -0.073 -3.983 -4.596
57 HG LEU 9 HG LEU 9 -1.737 -2.281 -2.743
58 HD11 LEU 9 HD11 LEU 9 -0.093 -0.806 -3.783
59 HD12 LEU 9 HD12 LEU 9 -1.695 -0.549 -4.516
60 HD13 LEU 9 HD13 LEU 9 -0.462 -1.499 -5.380
61 HD21 LEU 9 HD21 LEU 9 -3.006 -3.926 -3.988
62 HD22 LEU 9 HD22 LEU 9 -2.175 -3.477 -5.497
63 HD23 LEU 9 HD23 LEU 9 -3.288 -2.329 -4.716
64 H MET 10 HN MET 10 1.425 -4.474 -1.000
65 HA MET 10 HA MET 10 3.407 -6.009 -2.339
66 HB2 MET 10 HB2 MET 10 4.544 -6.076 -0.135
67 HB3 MET 10 HB1 MET 10 4.005 -4.451 -0.595
68 HG2 MET 10 HG2 MET 10 3.322 -4.499 1.586
69 HG3 MET 10 HG1 MET 10 1.868 -5.175 0.834
70 HE1 MET 10 HE1 MET 10 5.029 -7.136 3.467
71 HE2 MET 10 HE2 MET 10 5.155 -5.641 2.513
72 HE3 MET 10 HE3 MET 10 5.458 -7.216 1.742
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 1.746 6.677 -5.492
2 H2 GLY 1 HT2 GLY 1 0.752 8.055 -5.499
3 H3 GLY 1 HT3 GLY 1 0.659 6.927 -6.767
4 HA2 GLY 1 HA1 GLY 1 -1.189 6.578 -5.420
5 HA3 GLY 1 HA2 GLY 1 -0.047 5.246 -5.156
6 H ASN 2 HN ASN 2 -0.337 4.639 -3.106
7 HA ASN 2 HA ASN 2 0.068 6.752 -1.013
8 HB2 ASN 2 HB2 ASN 2 -2.389 5.964 -1.414
9 HB3 ASN 2 HB1 ASN 2 -1.879 4.481 -0.587
10 HD21 ASN 2 HD21 ASN 2 -2.400 4.481 1.520
11 HD22 ASN 2 HD22 ASN 2 -2.381 5.904 2.567
12 H HIS 3 HN HIS 3 1.611 6.281 0.369
13 HA HIS 3 HA HIS 3 3.202 3.947 0.162
14 HB2 HIS 3 HB2 HIS 3 2.866 6.109 2.206
15 HB3 HIS 3 HB1 HIS 3 3.828 4.686 2.642
16 HD1 HIS 3 HD1 HIS 3 4.498 7.931 1.757
17 HD2 HIS 3 HD2 HIS 3 5.710 4.229 0.161
18 HE1 HIS 3 HE1 HIS 3 6.579 8.360 0.362
19 H TRP 4 HN TRP 4 0.316 4.620 2.074
20 HA TRP 4 HA TRP 4 0.603 2.291 3.782
21 HB2 TRP 4 HB2 TRP 4 -0.831 4.493 4.031
22 HB3 TRP 4 HB1 TRP 4 -2.070 3.551 3.186
23 HD1 TRP 4 HD1 TRP 4 -0.555 4.092 6.582
24 HE1 TRP 4 HE1 TRP 4 -1.578 2.454 8.317
25 HE3 TRP 4 HE3 TRP 4 -2.974 0.973 3.345
26 HZ2 TRP 4 HZ2 TRP 4 -3.191 0.161 8.260
27 HZ3 TRP 4 HZ3 TRP 4 -4.242 -0.930 4.256
28 HH2 TRP 4 HH2 TRP 4 -4.348 -1.328 6.691
29 H ALA 5 HN ALA 5 -1.140 3.016 0.762
30 HA ALA 5 HA ALA 5 -2.641 0.622 0.592
31 HB1 ALA 5 HB1 ALA 5 -1.445 2.364 -1.578
32 HB2 ALA 5 HB2 ALA 5 -3.089 2.454 -0.899
33 HB3 ALA 5 HB3 ALA 5 -2.605 1.049 -1.881
34 H VAL 6 HN VAL 6 0.745 1.288 -0.148
35 HA VAL 6 HA VAL 6 1.348 -0.999 -1.678
36 HB VAL 6 HB VAL 6 3.117 0.306 0.406
37 HG11 VAL 6 HG11 VAL 6 4.944 -0.502 -1.146
38 HG12 VAL 6 HG12 VAL 6 3.700 -1.470 -1.974
39 HG13 VAL 6 HG13 VAL 6 4.078 -1.780 -0.262
40 HG21 VAL 6 HG21 VAL 6 2.084 1.830 -1.366
41 HG22 VAL 6 HG22 VAL 6 3.026 0.909 -2.555
42 HG23 VAL 6 HG23 VAL 6 3.857 1.819 -1.270
43 H GLY 7 HN GLY 7 0.668 -0.683 1.731
44 HA2 GLY 7 HA1 GLY 7 1.923 -3.062 2.655
45 HA3 GLY 7 HA2 GLY 7 0.512 -2.281 3.393
46 H HIS 8 HN HIS 8 -0.912 -2.597 0.700
47 HA HIS 8 HA HIS 8 -1.969 -5.297 1.317
48 HB2 HIS 8 HB2 HIS 8 -2.855 -2.985 -0.385
49 HB3 HIS 8 HB1 HIS 8 -3.572 -4.589 -0.619
50 HD1 HIS 8 HD1 HIS 8 -5.739 -2.964 0.135
51 HD2 HIS 8 HD2 HIS 8 -2.905 -3.987 3.076
52 HE1 HIS 8 HE1 HIS 8 -6.880 -2.716 2.392
53 H LEU 9 HN LEU 9 -0.360 -3.547 -1.335
54 HA LEU 9 HA LEU 9 -0.528 -5.572 -3.307
55 HB2 LEU 9 HB2 LEU 9 1.719 -3.629 -2.801
56 HB3 LEU 9 HB1 LEU 9 1.453 -4.514 -4.305
57 HG LEU 9 HG LEU 9 -0.565 -2.571 -3.172
58 HD11 LEU 9 HD11 LEU 9 0.370 -0.804 -4.355
59 HD12 LEU 9 HD12 LEU 9 1.267 -1.877 -5.452
60 HD13 LEU 9 HD13 LEU 9 1.838 -1.631 -3.796
61 HD21 LEU 9 HD21 LEU 9 -1.246 -2.520 -5.623
62 HD22 LEU 9 HD22 LEU 9 -1.560 -4.044 -4.767
63 HD23 LEU 9 HD23 LEU 9 -0.163 -3.910 -5.861
64 H MET 10 HN MET 10 2.111 -4.930 -0.964
65 HA MET 10 HA MET 10 3.767 -7.088 -1.688
66 HB2 MET 10 HB2 MET 10 4.646 -6.950 0.630
67 HB3 MET 10 HB1 MET 10 4.527 -5.373 -0.172
68 HG2 MET 10 HG2 MET 10 3.623 -4.824 1.871
69 HG3 MET 10 HG1 MET 10 2.147 -5.378 1.058
70 HE1 MET 10 HE1 MET 10 2.811 -5.256 4.395
71 HE2 MET 10 HE2 MET 10 3.582 -6.746 4.990
72 HE3 MET 10 HE3 MET 10 4.484 -5.640 3.927
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -1.435 7.107 -5.691
2 H2 GLY 1 HT2 GLY 1 -1.315 5.836 -6.813
3 H3 GLY 1 HT3 GLY 1 0.087 6.612 -6.248
4 HA2 GLY 1 HA1 GLY 1 -1.784 4.999 -4.646
5 HA3 GLY 1 HA2 GLY 1 -0.192 4.480 -5.229
6 H ASN 2 HN ASN 2 -0.634 4.273 -2.594
7 HA ASN 2 HA ASN 2 1.179 6.385 -1.516
8 HB2 ASN 2 HB2 ASN 2 -1.172 7.068 -1.020
9 HB3 ASN 2 HB1 ASN 2 -1.391 5.544 -0.136
10 HD21 ASN 2 HD21 ASN 2 -1.009 5.579 2.008
11 HD22 ASN 2 HD22 ASN 2 -0.024 6.792 2.833
12 H HIS 3 HN HIS 3 2.141 5.801 0.548
13 HA HIS 3 HA HIS 3 3.288 3.238 0.523
14 HB2 HIS 3 HB2 HIS 3 4.274 5.024 1.788
15 HB3 HIS 3 HB1 HIS 3 2.837 5.157 2.817
16 HD1 HIS 3 HD1 HIS 3 3.314 4.279 5.087
17 HD2 HIS 3 HD2 HIS 3 5.396 2.197 2.080
18 HE1 HIS 3 HE1 HIS 3 4.570 2.384 6.224
19 H TRP 4 HN TRP 4 0.509 4.406 2.462
20 HA TRP 4 HA TRP 4 0.041 1.994 3.869
21 HB2 TRP 4 HB2 TRP 4 -1.030 4.401 4.017
22 HB3 TRP 4 HB1 TRP 4 -2.267 3.706 2.958
23 HD1 TRP 4 HD1 TRP 4 -1.203 3.895 6.559
24 HE1 TRP 4 HE1 TRP 4 -2.734 2.417 8.047
25 HE3 TRP 4 HE3 TRP 4 -3.609 1.323 2.860
26 HZ2 TRP 4 HZ2 TRP 4 -4.681 0.442 7.649
27 HZ3 TRP 4 HZ3 TRP 4 -5.299 -0.354 3.488
28 HH2 TRP 4 HH2 TRP 4 -5.828 -0.787 5.861
29 H ALA 5 HN ALA 5 -0.928 3.020 0.621
30 HA ALA 5 HA ALA 5 -2.720 0.771 0.205
31 HB1 ALA 5 HB1 ALA 5 -3.044 2.807 -1.056
32 HB2 ALA 5 HB2 ALA 5 -2.629 1.491 -2.182
33 HB3 ALA 5 HB3 ALA 5 -1.400 2.697 -1.727
34 H VAL 6 HN VAL 6 0.712 1.313 -0.091
35 HA VAL 6 HA VAL 6 1.185 -0.932 -1.875
36 HB VAL 6 HB VAL 6 3.112 0.554 -0.088
37 HG11 VAL 6 HG11 VAL 6 3.499 -1.444 -2.324
38 HG12 VAL 6 HG12 VAL 6 4.105 -1.513 -0.654
39 HG13 VAL 6 HG13 VAL 6 4.789 -0.337 -1.795
40 HG21 VAL 6 HG21 VAL 6 3.447 2.089 -1.778
41 HG22 VAL 6 HG22 VAL 6 1.741 1.709 -2.087
42 HG23 VAL 6 HG23 VAL 6 3.002 0.937 -3.057
43 H GLY 7 HN GLY 7 0.839 -0.464 1.563
44 HA2 GLY 7 HA1 GLY 7 2.291 -2.737 2.475
45 HA3 GLY 7 HA2 GLY 7 0.934 -1.965 3.316
46 H HIS 8 HN HIS 8 -0.921 -2.423 1.056
47 HA HIS 8 HA HIS 8 -1.547 -5.240 1.743
48 HB2 HIS 8 HB2 HIS 8 -3.191 -3.255 1.857
49 HB3 HIS 8 HB1 HIS 8 -3.261 -3.386 0.091
50 HD1 HIS 8 HD1 HIS 8 -5.848 -3.976 0.423
51 HD2 HIS 8 HD2 HIS 8 -3.184 -6.670 2.220
52 HE1 HIS 8 HE1 HIS 8 -7.120 -6.135 0.853
53 H LEU 9 HN LEU 9 -0.458 -3.255 -0.910
54 HA LEU 9 HA LEU 9 -1.093 -5.249 -2.963
55 HB2 LEU 9 HB2 LEU 9 0.527 -2.720 -2.945
56 HB3 LEU 9 HB1 LEU 9 0.411 -3.742 -4.366
57 HG LEU 9 HG LEU 9 -1.991 -2.527 -2.998
58 HD11 LEU 9 HD11 LEU 9 -0.463 -1.502 -5.412
59 HD12 LEU 9 HD12 LEU 9 -0.478 -0.747 -3.801
60 HD13 LEU 9 HD13 LEU 9 -1.974 -0.822 -4.764
61 HD21 LEU 9 HD21 LEU 9 -2.705 -4.341 -4.336
62 HD22 LEU 9 HD22 LEU 9 -1.508 -3.990 -5.604
63 HD23 LEU 9 HD23 LEU 9 -2.911 -2.924 -5.381
64 H MET 10 HN MET 10 1.581 -4.488 -0.837
65 HA MET 10 HA MET 10 3.527 -6.059 -2.359
66 HB2 MET 10 HB2 MET 10 3.467 -4.579 0.239
67 HB3 MET 10 HB1 MET 10 4.702 -5.837 0.046
68 HG2 MET 10 HG2 MET 10 4.317 -3.665 -2.006
69 HG3 MET 10 HG1 MET 10 5.356 -3.451 -0.582
70 HE1 MET 10 HE1 MET 10 7.936 -3.917 -3.458
71 HE2 MET 10 HE2 MET 10 6.961 -2.764 -2.516
72 HE3 MET 10 HE3 MET 10 6.284 -3.513 -3.982
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 4.387 9.754 1.320
2 H2 GLY 1 HT2 GLY 1 5.168 10.485 0.000
3 H3 GLY 1 HT3 GLY 1 5.132 8.792 0.140
4 HA2 GLY 1 HA1 GLY 1 2.733 10.467 -0.132
5 HA3 GLY 1 HA2 GLY 1 3.588 9.744 -1.507
6 H ASN 2 HN ASN 2 2.128 8.291 -2.221
7 HA ASN 2 HA ASN 2 0.419 6.724 -0.586
8 HB2 ASN 2 HB2 ASN 2 0.376 7.127 -3.129
9 HB3 ASN 2 HB1 ASN 2 1.521 5.777 -3.239
10 HD21 ASN 2 HD21 ASN 2 0.280 4.201 -4.178
11 HD22 ASN 2 HD22 ASN 2 -1.216 3.587 -3.466
12 H HIS 3 HN HIS 3 1.071 5.451 1.018
13 HA HIS 3 HA HIS 3 3.187 3.413 0.381
14 HB2 HIS 3 HB2 HIS 3 4.021 5.353 1.803
15 HB3 HIS 3 HB1 HIS 3 2.920 4.771 3.063
16 HD1 HIS 3 HD1 HIS 3 3.679 2.841 4.513
17 HD2 HIS 3 HD2 HIS 3 6.206 3.623 1.240
18 HE1 HIS 3 HE1 HIS 3 5.712 1.335 4.761
19 H TRP 4 HN TRP 4 0.484 4.398 2.499
20 HA TRP 4 HA TRP 4 0.117 1.963 3.855
21 HB2 TRP 4 HB2 TRP 4 -1.105 4.295 3.994
22 HB3 TRP 4 HB1 TRP 4 -2.279 3.534 2.907
23 HD1 TRP 4 HD1 TRP 4 -1.311 3.772 6.530
24 HE1 TRP 4 HE1 TRP 4 -2.774 2.192 7.980
25 HE3 TRP 4 HE3 TRP 4 -3.455 1.062 2.771
26 HZ2 TRP 4 HZ2 TRP 4 -4.579 0.095 7.531
27 HZ3 TRP 4 HZ3 TRP 4 -5.046 -0.721 3.355
28 HH2 TRP 4 HH2 TRP 4 -5.602 -1.198 5.714
29 H ALA 5 HN ALA 5 -1.087 2.977 0.655
30 HA ALA 5 HA ALA 5 -2.714 0.682 0.178
31 HB1 ALA 5 HB1 ALA 5 -2.632 1.330 -2.162
32 HB2 ALA 5 HB2 ALA 5 -1.216 2.364 -1.853
33 HB3 ALA 5 HB3 ALA 5 -2.794 2.780 -1.144
34 H VAL 6 HN VAL 6 0.739 1.309 -0.379
35 HA VAL 6 HA VAL 6 1.273 -1.053 -1.888
36 HB VAL 6 HB VAL 6 3.147 0.428 -0.039
37 HG11 VAL 6 HG11 VAL 6 3.589 -1.524 -2.306
38 HG12 VAL 6 HG12 VAL 6 4.104 -1.688 -0.611
39 HG13 VAL 6 HG13 VAL 6 4.872 -0.475 -1.662
40 HG21 VAL 6 HG21 VAL 6 3.806 1.722 -1.990
41 HG22 VAL 6 HG22 VAL 6 2.050 1.885 -1.739
42 HG23 VAL 6 HG23 VAL 6 2.671 0.805 -3.011
43 H GLY 7 HN GLY 7 0.970 -0.438 1.565
44 HA2 GLY 7 HA1 GLY 7 2.267 -2.768 2.533
45 HA3 GLY 7 HA2 GLY 7 0.957 -1.897 3.355
46 H HIS 8 HN HIS 8 -0.774 -2.396 0.883
47 HA HIS 8 HA HIS 8 -1.538 -5.203 1.651
48 HB2 HIS 8 HB2 HIS 8 -3.118 -2.816 0.710
49 HB3 HIS 8 HB1 HIS 8 -3.771 -4.461 0.580
50 HD1 HIS 8 HD1 HIS 8 -1.717 -3.049 3.497
51 HD2 HIS 8 HD2 HIS 8 -5.540 -4.580 2.630
52 HE1 HIS 8 HE1 HIS 8 -3.006 -3.122 5.684
53 H LEU 9 HN LEU 9 -0.752 -3.022 -1.002
54 HA LEU 9 HA LEU 9 -1.516 -4.959 -3.063
55 HB2 LEU 9 HB2 LEU 9 0.031 -2.378 -3.141
56 HB3 LEU 9 HB1 LEU 9 -0.314 -3.337 -4.570
57 HG LEU 9 HG LEU 9 -2.483 -2.260 -2.771
58 HD11 LEU 9 HD11 LEU 9 -1.157 -0.364 -3.590
59 HD12 LEU 9 HD12 LEU 9 -2.744 -0.420 -4.394
60 HD13 LEU 9 HD13 LEU 9 -1.291 -0.985 -5.253
61 HD21 LEU 9 HD21 LEU 9 -3.304 -4.003 -4.178
62 HD22 LEU 9 HD22 LEU 9 -2.382 -3.402 -5.576
63 HD23 LEU 9 HD23 LEU 9 -3.773 -2.482 -4.962
64 H MET 10 HN MET 10 1.625 -3.475 -2.151
65 HA MET 10 HA MET 10 3.775 -4.311 -2.299
66 HB2 MET 10 HB2 MET 10 2.499 -7.041 -2.001
67 HB3 MET 10 HB1 MET 10 4.156 -6.569 -1.582
68 HG2 MET 10 HG2 MET 10 3.152 -4.985 0.106
69 HG3 MET 10 HG1 MET 10 1.583 -5.747 -0.215
70 HE1 MET 10 HE1 MET 10 5.382 -6.687 0.653
71 HE2 MET 10 HE2 MET 10 5.074 -7.345 2.277
72 HE3 MET 10 HE3 MET 10 4.638 -5.662 1.903
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 1.351 9.922 2.150
2 H2 GLY 1 HT2 GLY 1 1.595 11.431 1.409
3 H3 GLY 1 HT3 GLY 1 2.923 10.523 1.955
4 HA2 GLY 1 HA1 GLY 1 1.836 10.555 -0.542
5 HA3 GLY 1 HA2 GLY 1 3.079 9.459 0.089
6 H ASN 2 HN ASN 2 2.352 7.755 -1.223
7 HA ASN 2 HA ASN 2 -0.262 6.567 -0.304
8 HB2 ASN 2 HB2 ASN 2 -0.142 7.438 -2.704
9 HB3 ASN 2 HB1 ASN 2 1.002 6.117 -3.013
10 HD21 ASN 2 HD21 ASN 2 -0.312 4.968 -4.442
11 HD22 ASN 2 HD22 ASN 2 -1.799 4.173 -3.912
12 H HIS 3 HN HIS 3 1.755 5.972 1.285
13 HA HIS 3 HA HIS 3 3.128 3.544 0.282
14 HB2 HIS 3 HB2 HIS 3 4.024 5.440 1.888
15 HB3 HIS 3 HB1 HIS 3 3.250 4.462 3.145
16 HD1 HIS 3 HD1 HIS 3 6.370 4.869 1.323
17 HD2 HIS 3 HD2 HIS 3 4.206 1.575 2.799
18 HE1 HIS 3 HE1 HIS 3 8.018 2.955 1.595
19 H TRP 4 HN TRP 4 0.457 4.493 2.373
20 HA TRP 4 HA TRP 4 0.113 2.109 3.839
21 HB2 TRP 4 HB2 TRP 4 -1.156 4.400 3.879
22 HB3 TRP 4 HB1 TRP 4 -2.262 3.615 2.739
23 HD1 TRP 4 HD1 TRP 4 -1.576 3.969 6.394
24 HE1 TRP 4 HE1 TRP 4 -3.073 2.366 7.787
25 HE3 TRP 4 HE3 TRP 4 -3.317 1.041 2.583
26 HZ2 TRP 4 HZ2 TRP 4 -4.739 0.172 7.278
27 HZ3 TRP 4 HZ3 TRP 4 -4.851 -0.797 3.111
28 HH2 TRP 4 HH2 TRP 4 -5.561 -1.223 5.438
29 H ALA 5 HN ALA 5 -1.218 2.996 0.631
30 HA ALA 5 HA ALA 5 -2.666 0.626 0.223
31 HB1 ALA 5 HB1 ALA 5 -1.325 1.834 -2.167
32 HB2 ALA 5 HB2 ALA 5 -2.334 2.900 -1.173
33 HB3 ALA 5 HB3 ALA 5 -3.043 1.443 -1.892
34 H VAL 6 HN VAL 6 0.724 1.379 -0.517
35 HA VAL 6 HA VAL 6 1.397 -0.966 -1.909
36 HB VAL 6 HB VAL 6 3.147 0.535 0.026
37 HG11 VAL 6 HG11 VAL 6 4.991 -0.335 -1.336
38 HG12 VAL 6 HG12 VAL 6 3.830 -1.244 -2.319
39 HG13 VAL 6 HG13 VAL 6 4.076 -1.669 -0.606
40 HG21 VAL 6 HG21 VAL 6 2.673 0.920 -2.944
41 HG22 VAL 6 HG22 VAL 6 3.904 1.772 -1.982
42 HG23 VAL 6 HG23 VAL 6 2.176 2.034 -1.647
43 H GLY 7 HN GLY 7 0.741 -0.469 1.481
44 HA2 GLY 7 HA1 GLY 7 2.129 -2.661 2.598
45 HA3 GLY 7 HA2 GLY 7 0.619 -1.979 3.229
46 H HIS 8 HN HIS 8 -1.269 -2.555 1.439
47 HA HIS 8 HA HIS 8 -1.444 -5.495 1.687
48 HB2 HIS 8 HB2 HIS 8 -3.750 -5.237 1.163
49 HB3 HIS 8 HB1 HIS 8 -3.324 -3.913 2.260
50 HD1 HIS 8 HD1 HIS 8 -3.160 -1.477 1.233
51 HD2 HIS 8 HD2 HIS 8 -4.794 -4.462 -1.242
52 HE1 HIS 8 HE1 HIS 8 -4.303 -0.312 -0.731
53 H LEU 9 HN LEU 9 -1.061 -3.032 -0.807
54 HA LEU 9 HA LEU 9 -1.663 -4.697 -3.059
55 HB2 LEU 9 HB2 LEU 9 0.152 -2.324 -2.797
56 HB3 LEU 9 HB1 LEU 9 -0.293 -3.035 -4.329
57 HG LEU 9 HG LEU 9 -2.346 -1.948 -2.408
58 HD11 LEU 9 HD11 LEU 9 -0.659 -0.180 -3.063
59 HD12 LEU 9 HD12 LEU 9 -2.319 0.145 -3.601
60 HD13 LEU 9 HD13 LEU 9 -1.122 -0.478 -4.746
61 HD21 LEU 9 HD21 LEU 9 -2.330 -2.657 -5.349
62 HD22 LEU 9 HD22 LEU 9 -3.629 -1.722 -4.575
63 HD23 LEU 9 HD23 LEU 9 -3.307 -3.389 -4.056
64 H MET 10 HN MET 10 1.503 -3.756 -1.645
65 HA MET 10 HA MET 10 2.691 -6.156 -3.018
66 HB2 MET 10 HB2 MET 10 3.842 -3.504 -2.183
67 HB3 MET 10 HB1 MET 10 4.875 -4.898 -2.521
68 HG2 MET 10 HG2 MET 10 2.839 -4.098 -4.563
69 HG3 MET 10 HG1 MET 10 4.335 -3.151 -4.421
70 HE1 MET 10 HE1 MET 10 4.402 -3.616 -6.790
71 HE2 MET 10 HE2 MET 10 3.703 -5.156 -7.347
72 HE3 MET 10 HE3 MET 10 5.460 -4.891 -7.443
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 2.607 11.571 -2.909
2 H2 GLY 1 HT2 GLY 1 1.105 10.841 -2.587
3 H3 GLY 1 HT3 GLY 1 2.154 10.163 -3.739
4 HA2 GLY 1 HA1 GLY 1 3.657 9.460 -2.167
5 HA3 GLY 1 HA2 GLY 1 2.911 10.485 -0.926
6 H ASN 2 HN ASN 2 3.013 7.401 -2.401
7 HA ASN 2 HA ASN 2 0.596 6.561 -0.804
8 HB2 ASN 2 HB2 ASN 2 1.563 5.732 -3.531
9 HB3 ASN 2 HB1 ASN 2 0.574 4.630 -2.551
10 HD21 ASN 2 HD21 ASN 2 -1.397 4.622 -3.492
11 HD22 ASN 2 HD22 ASN 2 -2.329 6.079 -3.850
12 H HIS 3 HN HIS 3 1.074 5.359 0.868
13 HA HIS 3 HA HIS 3 3.390 3.454 0.629
14 HB2 HIS 3 HB2 HIS 3 3.932 5.548 1.961
15 HB3 HIS 3 HB1 HIS 3 2.716 5.006 3.132
16 HD1 HIS 3 HD1 HIS 3 3.478 3.433 4.928
17 HD2 HIS 3 HD2 HIS 3 6.012 3.421 1.568
18 HE1 HIS 3 HE1 HIS 3 5.523 2.052 5.536
19 H TRP 4 HN TRP 4 0.420 4.369 2.400
20 HA TRP 4 HA TRP 4 0.131 1.905 3.797
21 HB2 TRP 4 HB2 TRP 4 -1.129 4.205 3.977
22 HB3 TRP 4 HB1 TRP 4 -2.267 3.466 2.838
23 HD1 TRP 4 HD1 TRP 4 -1.439 3.642 6.486
24 HE1 TRP 4 HE1 TRP 4 -2.902 1.984 7.850
25 HE3 TRP 4 HE3 TRP 4 -3.355 0.932 2.600
26 HZ2 TRP 4 HZ2 TRP 4 -4.615 -0.162 7.296
27 HZ3 TRP 4 HZ3 TRP 4 -4.897 -0.915 3.092
28 HH2 TRP 4 HH2 TRP 4 -5.523 -1.453 5.419
29 H ALA 5 HN ALA 5 -1.323 3.006 0.706
30 HA ALA 5 HA ALA 5 -2.770 0.646 0.148
31 HB1 ALA 5 HB1 ALA 5 -3.138 2.641 -1.143
32 HB2 ALA 5 HB2 ALA 5 -2.579 1.364 -2.251
33 HB3 ALA 5 HB3 ALA 5 -1.455 2.637 -1.720
34 H VAL 6 HN VAL 6 0.653 1.357 -0.174
35 HA VAL 6 HA VAL 6 1.257 -0.890 -1.885
36 HB VAL 6 HB VAL 6 3.079 0.624 -0.006
37 HG11 VAL 6 HG11 VAL 6 3.610 -1.286 -2.285
38 HG12 VAL 6 HG12 VAL 6 4.134 -1.430 -0.590
39 HG13 VAL 6 HG13 VAL 6 4.844 -0.179 -1.637
40 HG21 VAL 6 HG21 VAL 6 1.958 2.081 -1.668
41 HG22 VAL 6 HG22 VAL 6 2.562 1.026 -2.967
42 HG23 VAL 6 HG23 VAL 6 3.708 1.947 -1.964
43 H GLY 7 HN GLY 7 0.814 -0.458 1.550
44 HA2 GLY 7 HA1 GLY 7 2.257 -2.776 2.419
45 HA3 GLY 7 HA2 GLY 7 0.947 -1.966 3.298
46 H HIS 8 HN HIS 8 -0.942 -2.345 1.024
47 HA HIS 8 HA HIS 8 -1.873 -5.001 1.845
48 HB2 HIS 8 HB2 HIS 8 -3.322 -2.952 1.408
49 HB3 HIS 8 HB1 HIS 8 -3.035 -3.237 -0.317
50 HD1 HIS 8 HD1 HIS 8 -3.865 -5.646 -1.266
51 HD2 HIS 8 HD2 HIS 8 -5.205 -4.587 2.580
52 HE1 HIS 8 HE1 HIS 8 -5.901 -7.081 -0.763
53 H LEU 9 HN LEU 9 -0.505 -3.487 -1.066
54 HA LEU 9 HA LEU 9 -0.919 -5.708 -2.823
55 HB2 LEU 9 HB2 LEU 9 1.205 -3.573 -2.815
56 HB3 LEU 9 HB1 LEU 9 0.915 -4.681 -4.158
57 HG LEU 9 HG LEU 9 -1.240 -2.842 -3.122
58 HD11 LEU 9 HD11 LEU 9 -0.587 -1.113 -4.536
59 HD12 LEU 9 HD12 LEU 9 0.424 -2.178 -5.538
60 HD13 LEU 9 HD13 LEU 9 0.985 -1.674 -3.943
61 HD21 LEU 9 HD21 LEU 9 -2.036 -3.124 -5.505
62 HD22 LEU 9 HD22 LEU 9 -2.078 -4.606 -4.526
63 HD23 LEU 9 HD23 LEU 9 -0.773 -4.357 -5.711
64 H MET 10 HN MET 10 2.052 -4.673 -1.086
65 HA MET 10 HA MET 10 3.616 -6.923 -1.785
66 HB2 MET 10 HB2 MET 10 4.959 -6.368 0.229
67 HB3 MET 10 HB1 MET 10 4.610 -4.960 -0.793
68 HG2 MET 10 HG2 MET 10 4.134 -4.053 1.265
69 HG3 MET 10 HG1 MET 10 2.545 -4.749 0.898
70 HE1 MET 10 HE1 MET 10 4.361 -4.012 3.756
71 HE2 MET 10 HE2 MET 10 5.753 -4.884 3.071
72 HE3 MET 10 HE3 MET 10 4.970 -5.482 4.552
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 1.580 11.959 -0.489
2 H2 GLY 1 HT2 GLY 1 0.273 10.892 -0.288
3 H3 GLY 1 HT3 GLY 1 1.016 11.054 -1.807
4 HA2 GLY 1 HA1 GLY 1 2.831 9.878 -1.244
5 HA3 GLY 1 HA2 GLY 1 2.617 10.237 0.480
6 H ASN 2 HN ASN 2 1.700 8.191 -2.211
7 HA ASN 2 HA ASN 2 -0.179 6.611 -0.566
8 HB2 ASN 2 HB2 ASN 2 0.734 6.635 -3.414
9 HB3 ASN 2 HB1 ASN 2 0.083 5.112 -2.776
10 HD21 ASN 2 HD21 ASN 2 -2.108 5.067 -1.957
11 HD22 ASN 2 HD22 ASN 2 -3.271 6.271 -2.520
12 H HIS 3 HN HIS 3 1.016 5.770 1.116
13 HA HIS 3 HA HIS 3 3.117 3.775 0.288
14 HB2 HIS 3 HB2 HIS 3 3.664 5.906 1.760
15 HB3 HIS 3 HB1 HIS 3 3.012 4.907 3.068
16 HD1 HIS 3 HD1 HIS 3 6.136 5.858 1.918
17 HD2 HIS 3 HD2 HIS 3 4.384 2.118 2.729
18 HE1 HIS 3 HE1 HIS 3 8.032 4.186 2.178
19 H TRP 4 HN TRP 4 0.288 4.493 2.273
20 HA TRP 4 HA TRP 4 0.288 2.075 3.797
21 HB2 TRP 4 HB2 TRP 4 -1.132 4.246 4.026
22 HB3 TRP 4 HB1 TRP 4 -2.248 3.455 2.900
23 HD1 TRP 4 HD1 TRP 4 -1.407 3.663 6.530
24 HE1 TRP 4 HE1 TRP 4 -2.729 1.897 7.899
25 HE3 TRP 4 HE3 TRP 4 -3.146 0.825 2.650
26 HZ2 TRP 4 HZ2 TRP 4 -4.275 -0.374 7.349
27 HZ3 TRP 4 HZ3 TRP 4 -4.526 -1.135 3.144
28 HH2 TRP 4 HH2 TRP 4 -5.095 -1.726 5.473
29 H ALA 5 HN ALA 5 -1.229 2.919 0.671
30 HA ALA 5 HA ALA 5 -2.629 0.501 0.264
31 HB1 ALA 5 HB1 ALA 5 -3.006 2.401 -1.165
32 HB2 ALA 5 HB2 ALA 5 -2.429 1.052 -2.174
33 HB3 ALA 5 HB3 ALA 5 -1.319 2.371 -1.728
34 H VAL 6 HN VAL 6 0.777 1.310 -0.291
35 HA VAL 6 HA VAL 6 1.525 -0.936 -1.834
36 HB VAL 6 HB VAL 6 3.142 0.464 0.314
37 HG11 VAL 6 HG11 VAL 6 4.241 -1.580 -0.183
38 HG12 VAL 6 HG12 VAL 6 5.077 -0.328 -1.132
39 HG13 VAL 6 HG13 VAL 6 3.905 -1.412 -1.922
40 HG21 VAL 6 HG21 VAL 6 2.200 1.933 -1.500
41 HG22 VAL 6 HG22 VAL 6 3.101 0.946 -2.676
42 HG23 VAL 6 HG23 VAL 6 3.979 1.885 -1.443
43 H GLY 7 HN GLY 7 1.027 -0.608 1.665
44 HA2 GLY 7 HA1 GLY 7 2.219 -3.052 2.461
45 HA3 GLY 7 HA2 GLY 7 0.901 -2.224 3.310
46 H HIS 8 HN HIS 8 -1.056 -2.356 1.249
47 HA HIS 8 HA HIS 8 -1.913 -5.134 1.668
48 HB2 HIS 8 HB2 HIS 8 -3.314 -2.922 1.691
49 HB3 HIS 8 HB1 HIS 8 -3.382 -3.155 -0.064
50 HD1 HIS 8 HD1 HIS 8 -5.893 -3.299 1.882
51 HD2 HIS 8 HD2 HIS 8 -3.758 -6.525 0.222
52 HE1 HIS 8 HE1 HIS 8 -7.417 -5.331 1.971
53 H LEU 9 HN LEU 9 -1.620 -3.033 -1.233
54 HA LEU 9 HA LEU 9 -1.925 -5.051 -3.162
55 HB2 LEU 9 HB2 LEU 9 -0.175 -2.589 -3.255
56 HB3 LEU 9 HB1 LEU 9 -0.612 -3.566 -4.661
57 HG LEU 9 HG LEU 9 -2.670 -2.213 -2.911
58 HD11 LEU 9 HD11 LEU 9 -1.356 -1.148 -5.429
59 HD12 LEU 9 HD12 LEU 9 -1.154 -0.492 -3.787
60 HD13 LEU 9 HD13 LEU 9 -2.741 -0.408 -4.591
61 HD21 LEU 9 HD21 LEU 9 -3.644 -3.925 -4.272
62 HD22 LEU 9 HD22 LEU 9 -2.685 -3.429 -5.687
63 HD23 LEU 9 HD23 LEU 9 -3.987 -2.382 -5.081
64 H MET 10 HN MET 10 1.244 -3.637 -2.240
65 HA MET 10 HA MET 10 2.685 -5.886 -3.366
66 HB2 MET 10 HB2 MET 10 3.512 -3.490 -3.103
67 HB3 MET 10 HB1 MET 10 3.748 -3.864 -1.388
68 HG2 MET 10 HG2 MET 10 5.128 -5.887 -2.267
69 HG3 MET 10 HG1 MET 10 5.208 -4.947 -3.773
70 HE1 MET 10 HE1 MET 10 7.945 -5.593 -2.741
71 HE2 MET 10 HE2 MET 10 8.725 -3.994 -2.672
72 HE3 MET 10 HE3 MET 10 7.622 -4.390 -4.012
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 2.544 3.221 -5.678
2 H2 GLY 1 HT2 GLY 1 2.888 4.856 -5.371
3 H3 GLY 1 HT3 GLY 1 2.018 4.413 -6.762
4 HA2 GLY 1 HA1 GLY 1 0.304 5.040 -5.523
5 HA3 GLY 1 HA2 GLY 1 0.443 3.351 -5.004
6 H ASN 2 HN ASN 2 -0.841 4.837 -3.285
7 HA ASN 2 HA ASN 2 0.616 6.416 -1.452
8 HB2 ASN 2 HB2 ASN 2 -1.915 5.962 -1.615
9 HB3 ASN 2 HB1 ASN 2 -1.599 4.535 -0.611
10 HD21 ASN 2 HD21 ASN 2 -1.955 4.848 1.503
11 HD22 ASN 2 HD22 ASN 2 -1.710 6.378 2.353
12 H HIS 3 HN HIS 3 1.893 6.053 0.275
13 HA HIS 3 HA HIS 3 3.427 3.687 0.427
14 HB2 HIS 3 HB2 HIS 3 2.877 5.934 2.349
15 HB3 HIS 3 HB1 HIS 3 3.863 4.553 2.864
16 HD1 HIS 3 HD1 HIS 3 4.118 7.825 1.328
17 HD2 HIS 3 HD2 HIS 3 6.045 4.128 0.760
18 HE1 HIS 3 HE1 HIS 3 6.358 8.312 0.231
19 H TRP 4 HN TRP 4 0.377 4.545 1.993
20 HA TRP 4 HA TRP 4 0.437 2.237 3.785
21 HB2 TRP 4 HB2 TRP 4 -0.816 4.539 3.995
22 HB3 TRP 4 HB1 TRP 4 -2.085 3.729 3.060
23 HD1 TRP 4 HD1 TRP 4 -0.753 4.090 6.551
24 HE1 TRP 4 HE1 TRP 4 -2.016 2.521 8.188
25 HE3 TRP 4 HE3 TRP 4 -3.206 1.220 3.112
26 HZ2 TRP 4 HZ2 TRP 4 -3.803 0.370 7.988
27 HZ3 TRP 4 HZ3 TRP 4 -4.678 -0.582 3.906
28 HH2 TRP 4 HH2 TRP 4 -4.972 -1.001 6.323
29 H ALA 5 HN ALA 5 -1.143 3.091 0.705
30 HA ALA 5 HA ALA 5 -2.765 0.757 0.506
31 HB1 ALA 5 HB1 ALA 5 -3.097 2.725 -0.907
32 HB2 ALA 5 HB2 ALA 5 -2.856 1.270 -1.902
33 HB3 ALA 5 HB3 ALA 5 -1.528 2.437 -1.696
34 H VAL 6 HN VAL 6 0.644 1.309 -0.113
35 HA VAL 6 HA VAL 6 1.109 -1.005 -1.735
36 HB VAL 6 HB VAL 6 3.017 0.371 0.171
37 HG11 VAL 6 HG11 VAL 6 3.939 -1.732 -0.451
38 HG12 VAL 6 HG12 VAL 6 4.732 -0.516 -1.481
39 HG13 VAL 6 HG13 VAL 6 3.428 -1.533 -2.144
40 HG21 VAL 6 HG21 VAL 6 3.295 0.953 -2.701
41 HG22 VAL 6 HG22 VAL 6 3.247 2.066 -1.316
42 HG23 VAL 6 HG23 VAL 6 1.735 1.485 -2.048
43 H GLY 7 HN GLY 7 0.627 -0.563 1.685
44 HA2 GLY 7 HA1 GLY 7 1.951 -2.803 2.732
45 HA3 GLY 7 HA2 GLY 7 0.451 -2.127 3.371
46 H HIS 8 HN HIS 8 -0.947 -2.648 0.770
47 HA HIS 8 HA HIS 8 -1.654 -5.464 1.406
48 HB2 HIS 8 HB2 HIS 8 -2.927 -3.188 -0.057
49 HB3 HIS 8 HB1 HIS 8 -3.400 -4.830 -0.526
50 HD1 HIS 8 HD1 HIS 8 -2.940 -2.935 2.811
51 HD2 HIS 8 HD2 HIS 8 -5.436 -5.777 0.965
52 HE1 HIS 8 HE1 HIS 8 -4.854 -3.404 4.418
53 H LEU 9 HN LEU 9 -0.027 -3.562 -1.039
54 HA LEU 9 HA LEU 9 -0.151 -5.656 -3.079
55 HB2 LEU 9 HB2 LEU 9 1.659 -3.251 -2.877
56 HB3 LEU 9 HB1 LEU 9 1.389 -4.236 -4.318
57 HG LEU 9 HG LEU 9 -0.781 -2.635 -2.950
58 HD11 LEU 9 HD11 LEU 9 0.563 -1.843 -5.527
59 HD12 LEU 9 HD12 LEU 9 1.233 -1.309 -3.977
60 HD13 LEU 9 HD13 LEU 9 -0.422 -0.857 -4.428
61 HD21 LEU 9 HD21 LEU 9 -1.836 -2.905 -5.258
62 HD22 LEU 9 HD22 LEU 9 -1.737 -4.379 -4.270
63 HD23 LEU 9 HD23 LEU 9 -0.571 -4.111 -5.588
64 H MET 10 HN MET 10 2.166 -4.546 -0.629
65 HA MET 10 HA MET 10 4.377 -6.125 -1.505
66 HB2 MET 10 HB2 MET 10 5.203 -5.855 0.819
67 HB3 MET 10 HB1 MET 10 4.690 -4.329 0.075
68 HG2 MET 10 HG2 MET 10 3.711 -4.115 2.140
69 HG3 MET 10 HG1 MET 10 2.399 -4.955 1.294
70 HE1 MET 10 HE1 MET 10 4.981 -6.409 4.781
71 HE2 MET 10 HE2 MET 10 5.655 -5.449 3.442
72 HE3 MET 10 HE3 MET 10 4.359 -4.773 4.457
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 4.436 9.490 -2.095
2 H2 GLY 1 HT2 GLY 1 3.712 9.178 -0.591
3 H3 GLY 1 HT3 GLY 1 3.650 10.738 -1.260
4 HA2 GLY 1 HA1 GLY 1 1.854 10.302 -2.371
5 HA3 GLY 1 HA2 GLY 1 2.619 8.862 -3.070
6 H ASN 2 HN ASN 2 1.650 7.007 -2.663
7 HA ASN 2 HA ASN 2 0.024 6.805 -0.131
8 HB2 ASN 2 HB2 ASN 2 -1.187 4.969 -1.559
9 HB3 ASN 2 HB1 ASN 2 -1.569 6.682 -1.815
10 HD21 ASN 2 HD21 ASN 2 -0.434 3.759 -3.249
11 HD22 ASN 2 HD22 ASN 2 -0.034 4.438 -4.831
12 H HIS 3 HN HIS 3 1.753 6.029 1.092
13 HA HIS 3 HA HIS 3 3.174 3.613 0.220
14 HB2 HIS 3 HB2 HIS 3 3.155 5.325 2.692
15 HB3 HIS 3 HB1 HIS 3 3.937 3.734 2.724
16 HD1 HIS 3 HD1 HIS 3 4.464 7.259 1.773
17 HD2 HIS 3 HD2 HIS 3 6.188 3.506 0.962
18 HE1 HIS 3 HE1 HIS 3 6.698 7.692 0.643
19 H TRP 4 HN TRP 4 0.559 4.448 2.487
20 HA TRP 4 HA TRP 4 0.324 1.948 3.779
21 HB2 TRP 4 HB2 TRP 4 -0.921 4.262 4.073
22 HB3 TRP 4 HB1 TRP 4 -2.153 3.505 3.049
23 HD1 TRP 4 HD1 TRP 4 -0.990 3.710 6.601
24 HE1 TRP 4 HE1 TRP 4 -2.293 2.039 8.104
25 HE3 TRP 4 HE3 TRP 4 -3.214 0.947 2.925
26 HZ2 TRP 4 HZ2 TRP 4 -4.015 -0.140 7.723
27 HZ3 TRP 4 HZ3 TRP 4 -4.676 -0.920 3.567
28 HH2 TRP 4 HH2 TRP 4 -5.072 -1.457 5.945
29 H ALA 5 HN ALA 5 -1.121 3.096 0.722
30 HA ALA 5 HA ALA 5 -2.738 0.817 0.221
31 HB1 ALA 5 HB1 ALA 5 -1.324 2.510 -1.856
32 HB2 ALA 5 HB2 ALA 5 -2.812 3.002 -1.010
33 HB3 ALA 5 HB3 ALA 5 -2.818 1.566 -2.063
34 H VAL 6 HN VAL 6 0.706 1.286 -0.015
35 HA VAL 6 HA VAL 6 1.175 -0.977 -1.791
36 HB VAL 6 HB VAL 6 3.118 0.400 0.072
37 HG11 VAL 6 HG11 VAL 6 3.474 -1.416 -2.310
38 HG12 VAL 6 HG12 VAL 6 4.004 -1.701 -0.634
39 HG13 VAL 6 HG13 VAL 6 4.786 -0.436 -1.613
40 HG21 VAL 6 HG21 VAL 6 3.680 1.882 -1.695
41 HG22 VAL 6 HG22 VAL 6 1.905 1.886 -1.621
42 HG23 VAL 6 HG23 VAL 6 2.736 0.943 -2.875
43 H GLY 7 HN GLY 7 0.736 -0.516 1.636
44 HA2 GLY 7 HA1 GLY 7 2.105 -2.785 2.619
45 HA3 GLY 7 HA2 GLY 7 0.666 -2.058 3.357
46 H HIS 8 HN HIS 8 -1.037 -2.518 1.018
47 HA HIS 8 HA HIS 8 -1.756 -5.300 1.659
48 HB2 HIS 8 HB2 HIS 8 -2.987 -3.044 0.115
49 HB3 HIS 8 HB1 HIS 8 -3.571 -4.694 -0.164
50 HD1 HIS 8 HD1 HIS 8 -5.830 -3.397 0.824
51 HD2 HIS 8 HD2 HIS 8 -2.677 -4.139 3.507
52 HE1 HIS 8 HE1 HIS 8 -6.817 -3.365 3.165
53 H LEU 9 HN LEU 9 -0.138 -3.542 -0.892
54 HA LEU 9 HA LEU 9 -0.435 -5.667 -2.872
55 HB2 LEU 9 HB2 LEU 9 1.283 -3.195 -2.691
56 HB3 LEU 9 HB1 LEU 9 1.393 -4.324 -4.048
57 HG LEU 9 HG LEU 9 -1.185 -2.958 -3.265
58 HD11 LEU 9 HD11 LEU 9 -0.583 -1.489 -5.336
59 HD12 LEU 9 HD12 LEU 9 1.086 -1.999 -5.005
60 HD13 LEU 9 HD13 LEU 9 0.162 -1.110 -3.780
61 HD21 LEU 9 HD21 LEU 9 -1.549 -4.871 -4.676
62 HD22 LEU 9 HD22 LEU 9 -0.199 -4.414 -5.736
63 HD23 LEU 9 HD23 LEU 9 -1.684 -3.440 -5.709
64 H MET 10 HN MET 10 2.255 -4.444 -0.848
65 HA MET 10 HA MET 10 3.858 -6.840 -1.569
66 HB2 MET 10 HB2 MET 10 4.534 -4.469 0.196
67 HB3 MET 10 HB1 MET 10 5.653 -5.738 -0.336
68 HG2 MET 10 HG2 MET 10 4.165 -4.071 -2.340
69 HG3 MET 10 HG1 MET 10 5.654 -3.465 -1.591
70 HE1 MET 10 HE1 MET 10 4.773 -4.501 -4.880
71 HE2 MET 10 HE2 MET 10 3.946 -5.816 -4.011
72 HE3 MET 10 HE3 MET 10 5.276 -6.189 -5.130