Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
585555 | 2mie RC | 19675 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 -4.511 -4.048 -4.706
2 H2 HIS 1 HT2 HIS 1 -4.308 -2.657 -5.646
3 H3 HIS 1 HT3 HIS 1 -5.781 -2.944 -4.870
4 HA HIS 1 HA HIS 1 -4.753 -2.712 -2.724
5 HB2 HIS 1 HB2 HIS 1 -2.277 -1.974 -4.307
6 HB3 HIS 1 HB1 HIS 1 -2.441 -1.880 -2.560
7 HD1 HIS 1 HD1 HIS 1 -0.802 -3.856 -4.869
8 HD2 HIS 1 HD2 HIS 1 -3.319 -4.777 -1.691
9 HE1 HIS 1 HE1 HIS 1 -0.269 -6.231 -4.249
10 HE2 HIS 1 HE2 HIS 1 -1.918 -6.817 -2.440
11 H GLU 2 HN GLU 2 -5.619 -0.872 -1.968
12 HA GLU 2 HA GLU 2 -5.862 1.343 -3.840
13 HB2 GLU 2 HB2 GLU 2 -7.861 0.455 -2.604
14 HB3 GLU 2 HB1 GLU 2 -7.159 1.102 -1.129
15 HG2 GLU 2 HG2 GLU 2 -8.785 2.645 -1.952
16 HG3 GLU 2 HG1 GLU 2 -7.181 3.351 -2.150
17 H VAL 3 HN VAL 3 -5.807 1.881 -0.356
18 HA VAL 3 HA VAL 3 -3.161 3.064 -0.519
19 HB VAL 3 HB VAL 3 -4.745 4.769 -1.342
20 HG11 VAL 3 HG11 VAL 3 -6.704 4.211 -0.059
21 HG12 VAL 3 HG12 VAL 3 -6.263 5.895 0.215
22 HG13 VAL 3 HG13 VAL 3 -5.894 4.678 1.435
23 HG21 VAL 3 HG21 VAL 3 -3.941 6.623 0.066
24 HG22 VAL 3 HG22 VAL 3 -2.659 5.491 -0.365
25 HG23 VAL 3 HG23 VAL 3 -3.368 5.448 1.250
26 HA PRO 4 HA PRO 4 -4.305 1.654 3.800
27 HB2 PRO 4 HB2 PRO 4 -3.326 -0.981 3.608
28 HB3 PRO 4 HB1 PRO 4 -5.017 -0.485 3.649
29 HG2 PRO 4 HG2 PRO 4 -3.694 -1.668 1.486
30 HG3 PRO 4 HG1 PRO 4 -5.274 -0.870 1.446
31 HD2 PRO 4 HD2 PRO 4 -2.597 0.180 0.650
32 HD3 PRO 4 HD1 PRO 4 -4.200 0.516 -0.044
33 H SER 5 HN SER 5 -1.677 1.928 1.863
34 HA SER 5 HA SER 5 0.574 1.954 2.044
35 HB2 SER 5 HB2 SER 5 1.400 3.145 4.115
36 HB3 SER 5 HB1 SER 5 0.130 3.980 3.226
37 HG SER 5 HG SER 5 -0.921 2.320 5.092
38 H GLY 6 HN GLY 6 -0.247 -0.570 2.400
39 HA2 GLY 6 HA2 GLY 6 1.661 -1.568 4.390
40 HA3 GLY 6 HA1 GLY 6 0.016 -2.179 4.412
41 HA PRO 7 HA PRO 7 1.118 -5.291 1.478
42 HB2 PRO 7 HB2 PRO 7 -1.047 -5.427 -0.141
43 HB3 PRO 7 HB1 PRO 7 -1.045 -6.043 1.515
44 HG2 PRO 7 HG2 PRO 7 -2.107 -3.453 0.453
45 HG3 PRO 7 HG1 PRO 7 -2.828 -4.553 1.643
46 HD2 PRO 7 HD2 PRO 7 -1.531 -2.288 2.354
47 HD3 PRO 7 HD1 PRO 7 -1.521 -3.748 3.362
48 H ASN 8 HN ASN 8 2.635 -3.467 0.754
49 HA ASN 8 HA ASN 8 3.537 -2.050 -0.793
50 HB2 ASN 8 HB2 ASN 8 4.094 -3.349 -2.919
51 HB3 ASN 8 HB1 ASN 8 4.653 -4.002 -1.387
52 HD21 ASN 8 HD21 ASN 8 2.498 -4.404 -4.067
53 HD22 ASN 8 HD22 ASN 8 2.035 -6.032 -3.714
54 HA PRO 9 HA PRO 9 -0.020 -0.699 -3.398
55 HB2 PRO 9 HB2 PRO 9 -0.459 1.549 -1.666
56 HB3 PRO 9 HB1 PRO 9 -1.564 0.216 -2.002
57 HG2 PRO 9 HG2 PRO 9 -0.384 0.677 0.446
58 HG3 PRO 9 HG1 PRO 9 -0.993 -0.898 -0.094
59 HD2 PRO 9 HD2 PRO 9 1.815 0.147 -0.082
60 HD3 PRO 9 HD1 PRO 9 1.211 -1.478 0.320
61 H ILE 10 HN ILE 10 1.638 1.680 -1.380
62 HA ILE 10 HA ILE 10 3.344 2.431 -3.652
63 HB ILE 10 HB ILE 10 2.053 4.342 -1.687
64 HG12 ILE 10 HG12 ILE 10 1.803 4.116 -4.696
65 HG13 ILE 10 HG11 ILE 10 0.581 3.621 -3.530
66 HG21 ILE 10 HG21 ILE 10 4.071 4.901 -3.861
67 HG22 ILE 10 HG22 ILE 10 4.362 4.987 -2.123
68 HG23 ILE 10 HG23 ILE 10 3.244 6.117 -2.888
69 HD11 ILE 10 HD11 ILE 10 1.575 6.426 -3.972
70 HD12 ILE 10 HD12 ILE 10 0.358 5.940 -2.791
71 HD13 ILE 10 HD13 ILE 10 0.035 5.764 -4.516
72 H SER 11 HN SER 11 2.798 2.372 -0.188
73 HA SER 11 HA SER 11 5.498 2.808 0.574
74 HB2 SER 11 HB2 SER 11 3.495 1.350 2.270
75 HB3 SER 11 HB1 SER 11 4.709 2.538 2.752
76 HG SER 11 HG SER 11 3.419 4.143 2.153
77 H ASN 12 HN ASN 12 6.785 1.332 -0.570
78 HA ASN 12 HA ASN 12 6.932 -1.275 0.683
79 HB2 ASN 12 HB2 ASN 12 5.459 -1.775 -1.205
80 HB3 ASN 12 HB1 ASN 12 6.599 -1.019 -2.317
81 HD21 ASN 12 HD21 ASN 12 8.481 -2.102 -2.858
82 HD22 ASN 12 HD22 ASN 12 8.718 -3.779 -2.514
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 -5.524 -2.983 -0.723
2 H2 HIS 1 HT2 HIS 1 -6.330 -3.716 -2.015
3 H3 HIS 1 HT3 HIS 1 -6.223 -4.509 -0.528
4 HA HIS 1 HA HIS 1 -8.412 -3.600 -0.845
5 HB2 HIS 1 HB2 HIS 1 -7.400 -3.701 1.441
6 HB3 HIS 1 HB1 HIS 1 -6.874 -2.034 1.241
7 HD1 HIS 1 HD1 HIS 1 -9.867 -4.117 1.984
8 HD2 HIS 1 HD2 HIS 1 -8.946 -0.107 1.388
9 HE1 HIS 1 HE1 HIS 1 -11.884 -2.836 2.765
10 HE2 HIS 1 HE2 HIS 1 -11.270 -0.409 2.487
11 H GLU 2 HN GLU 2 -5.989 -0.978 -0.629
12 HA GLU 2 HA GLU 2 -7.122 0.412 -2.823
13 HB2 GLU 2 HB2 GLU 2 -8.819 0.924 -1.061
14 HB3 GLU 2 HB1 GLU 2 -7.556 1.712 -0.132
15 HG2 GLU 2 HG2 GLU 2 -8.734 3.411 -1.248
16 HG3 GLU 2 HG1 GLU 2 -7.198 3.231 -2.095
17 H VAL 3 HN VAL 3 -5.865 2.081 0.008
18 HA VAL 3 HA VAL 3 -3.152 2.015 -0.992
19 HB VAL 3 HB VAL 3 -4.268 3.802 -2.268
20 HG11 VAL 3 HG11 VAL 3 -4.661 5.140 0.396
21 HG12 VAL 3 HG12 VAL 3 -5.919 4.535 -0.680
22 HG13 VAL 3 HG13 VAL 3 -4.915 5.897 -1.177
23 HG21 VAL 3 HG21 VAL 3 -2.167 4.795 -0.348
24 HG22 VAL 3 HG22 VAL 3 -2.588 5.541 -1.888
25 HG23 VAL 3 HG23 VAL 3 -1.874 3.929 -1.856
26 HA PRO 4 HA PRO 4 -3.809 2.588 3.619
27 HB2 PRO 4 HB2 PRO 4 -3.468 -0.103 4.322
28 HB3 PRO 4 HB1 PRO 4 -5.005 0.744 4.158
29 HG2 PRO 4 HG2 PRO 4 -4.051 -1.357 2.533
30 HG3 PRO 4 HG1 PRO 4 -5.484 -0.346 2.254
31 HD2 PRO 4 HD2 PRO 4 -2.767 -0.155 1.071
32 HD3 PRO 4 HD1 PRO 4 -4.342 0.282 0.376
33 H SER 5 HN SER 5 -1.370 1.910 1.665
34 HA SER 5 HA SER 5 0.880 1.670 1.767
35 HB2 SER 5 HB2 SER 5 0.539 2.748 4.578
36 HB3 SER 5 HB1 SER 5 2.024 2.762 3.626
37 HG SER 5 HG SER 5 -0.150 4.431 3.522
38 H GLY 6 HN GLY 6 -0.788 -0.579 2.568
39 HA2 GLY 6 HA2 GLY 6 0.845 -1.887 4.615
40 HA3 GLY 6 HA1 GLY 6 -0.729 -2.427 4.060
41 HA PRO 7 HA PRO 7 1.368 -5.436 1.565
42 HB2 PRO 7 HB2 PRO 7 -0.907 -5.355 -0.276
43 HB3 PRO 7 HB1 PRO 7 -0.341 -6.678 0.746
44 HG2 PRO 7 HG2 PRO 7 -2.623 -5.351 1.268
45 HG3 PRO 7 HG1 PRO 7 -1.586 -5.990 2.555
46 HD2 PRO 7 HD2 PRO 7 -1.852 -3.178 1.553
47 HD3 PRO 7 HD1 PRO 7 -1.678 -3.778 3.215
48 H ASN 8 HN ASN 8 2.443 -3.080 1.003
49 HA ASN 8 HA ASN 8 3.513 -1.807 -0.539
50 HB2 ASN 8 HB2 ASN 8 4.482 -4.054 -0.975
51 HB3 ASN 8 HB1 ASN 8 3.294 -4.286 -2.255
52 HD21 ASN 8 HD21 ASN 8 6.163 -2.608 -1.271
53 HD22 ASN 8 HD22 ASN 8 6.587 -1.988 -2.825
54 HA PRO 9 HA PRO 9 -0.019 -0.673 -3.269
55 HB2 PRO 9 HB2 PRO 9 -0.862 1.407 -1.509
56 HB3 PRO 9 HB1 PRO 9 -1.740 -0.069 -1.917
57 HG2 PRO 9 HG2 PRO 9 -0.717 0.534 0.586
58 HG3 PRO 9 HG1 PRO 9 -1.135 -1.093 0.022
59 HD2 PRO 9 HD2 PRO 9 1.540 0.245 0.149
60 HD3 PRO 9 HD1 PRO 9 1.104 -1.444 0.500
61 H ILE 10 HN ILE 10 1.295 1.757 -1.032
62 HA ILE 10 HA ILE 10 2.551 3.098 -3.330
63 HB ILE 10 HB ILE 10 0.739 4.412 -2.307
64 HG12 ILE 10 HG12 ILE 10 3.474 5.585 -1.758
65 HG13 ILE 10 HG11 ILE 10 2.684 5.552 -3.331
66 HG21 ILE 10 HG21 ILE 10 2.422 4.321 0.188
67 HG22 ILE 10 HG22 ILE 10 0.851 3.554 -0.045
68 HG23 ILE 10 HG23 ILE 10 0.982 5.313 -0.040
69 HD11 ILE 10 HD11 ILE 10 1.672 6.990 -0.891
70 HD12 ILE 10 HD12 ILE 10 0.915 6.983 -2.484
71 HD13 ILE 10 HD13 ILE 10 2.497 7.730 -2.263
72 H SER 11 HN SER 11 2.989 1.646 -0.255
73 HA SER 11 HA SER 11 5.849 1.834 -0.451
74 HB2 SER 11 HB2 SER 11 4.461 3.015 1.974
75 HB3 SER 11 HB1 SER 11 6.201 2.876 1.734
76 HG SER 11 HG SER 11 5.326 4.152 -0.362
77 H ASN 12 HN ASN 12 6.868 0.195 0.735
78 HA ASN 12 HA ASN 12 5.658 -1.057 2.975
79 HB2 ASN 12 HB2 ASN 12 4.343 -2.199 1.213
80 HB3 ASN 12 HB1 ASN 12 5.837 -2.783 0.489
81 HD21 ASN 12 HD21 ASN 12 5.405 -4.936 0.798
82 HD22 ASN 12 HD22 ASN 12 5.346 -5.677 2.359
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 -7.235 -0.160 2.831
2 H2 HIS 1 HT2 HIS 1 -8.703 0.659 3.014
3 H3 HIS 1 HT3 HIS 1 -7.549 1.231 1.923
4 HA HIS 1 HA HIS 1 -8.943 -1.365 1.714
5 HB2 HIS 1 HB2 HIS 1 -9.508 1.317 0.523
6 HB3 HIS 1 HB1 HIS 1 -9.808 -0.113 -0.452
7 HD1 HIS 1 HD1 HIS 1 -12.261 -0.421 -0.428
8 HD2 HIS 1 HD2 HIS 1 -10.780 0.482 3.348
9 HE1 HIS 1 HE1 HIS 1 -14.232 -0.567 1.122
10 HE2 HIS 1 HE2 HIS 1 -13.319 0.008 3.399
11 H GLU 2 HN GLU 2 -7.644 0.949 -0.633
12 HA GLU 2 HA GLU 2 -6.205 -1.291 -1.862
13 HB2 GLU 2 HB2 GLU 2 -6.185 0.152 -3.889
14 HB3 GLU 2 HB1 GLU 2 -7.801 -0.241 -3.322
15 HG2 GLU 2 HG2 GLU 2 -7.901 1.966 -2.212
16 HG3 GLU 2 HG1 GLU 2 -6.332 2.353 -2.916
17 H VAL 3 HN VAL 3 -5.736 1.806 -0.374
18 HA VAL 3 HA VAL 3 -2.854 1.532 -0.770
19 HB VAL 3 HB VAL 3 -3.643 3.100 -2.453
20 HG11 VAL 3 HG11 VAL 3 -4.714 4.738 -0.171
21 HG12 VAL 3 HG12 VAL 3 -5.657 3.913 -1.412
22 HG13 VAL 3 HG13 VAL 3 -4.614 5.265 -1.851
23 HG21 VAL 3 HG21 VAL 3 -2.195 5.016 -1.910
24 HG22 VAL 3 HG22 VAL 3 -1.431 3.468 -1.557
25 HG23 VAL 3 HG23 VAL 3 -2.093 4.442 -0.246
26 HA PRO 4 HA PRO 4 -3.860 2.683 3.599
27 HB2 PRO 4 HB2 PRO 4 -3.685 0.070 4.610
28 HB3 PRO 4 HB1 PRO 4 -5.174 0.934 4.227
29 HG2 PRO 4 HG2 PRO 4 -4.227 -1.362 2.923
30 HG3 PRO 4 HG1 PRO 4 -5.506 -0.275 2.345
31 HD2 PRO 4 HD2 PRO 4 -2.603 -0.330 1.620
32 HD3 PRO 4 HD1 PRO 4 -4.024 -0.038 0.587
33 H SER 5 HN SER 5 -1.311 2.142 1.967
34 HA SER 5 HA SER 5 0.909 1.738 2.199
35 HB2 SER 5 HB2 SER 5 0.286 2.951 4.896
36 HB3 SER 5 HB1 SER 5 1.923 2.683 4.296
37 HG SER 5 HG SER 5 1.620 4.630 3.528
38 H GLY 6 HN GLY 6 -0.242 -0.579 2.328
39 HA2 GLY 6 HA2 GLY 6 1.125 -1.940 4.535
40 HA3 GLY 6 HA1 GLY 6 -0.552 -2.316 4.183
41 HA PRO 7 HA PRO 7 0.862 -5.376 1.310
42 HB2 PRO 7 HB2 PRO 7 -1.384 -4.849 -0.469
43 HB3 PRO 7 HB1 PRO 7 -1.086 -6.256 0.553
44 HG2 PRO 7 HG2 PRO 7 -3.070 -4.495 1.068
45 HG3 PRO 7 HG1 PRO 7 -2.198 -5.349 2.355
46 HD2 PRO 7 HD2 PRO 7 -1.828 -2.545 1.352
47 HD3 PRO 7 HD1 PRO 7 -1.864 -3.146 3.024
48 H ASN 8 HN ASN 8 2.334 -3.289 0.900
49 HA ASN 8 HA ASN 8 3.326 -1.775 -0.481
50 HB2 ASN 8 HB2 ASN 8 4.245 -2.883 -2.563
51 HB3 ASN 8 HB1 ASN 8 4.629 -3.649 -1.031
52 HD21 ASN 8 HD21 ASN 8 3.740 -5.656 -0.558
53 HD22 ASN 8 HD22 ASN 8 3.001 -6.646 -1.768
54 HA PRO 9 HA PRO 9 -0.153 -0.636 -3.335
55 HB2 PRO 9 HB2 PRO 9 -0.705 1.648 -1.689
56 HB3 PRO 9 HB1 PRO 9 -1.774 0.296 -2.058
57 HG2 PRO 9 HG2 PRO 9 -0.693 0.847 0.430
58 HG3 PRO 9 HG1 PRO 9 -1.350 -0.716 -0.074
59 HD2 PRO 9 HD2 PRO 9 1.481 0.178 0.147
60 HD3 PRO 9 HD1 PRO 9 0.781 -1.435 0.392
61 H ILE 10 HN ILE 10 1.644 1.634 -1.286
62 HA ILE 10 HA ILE 10 3.141 2.518 -3.655
63 HB ILE 10 HB ILE 10 2.038 4.399 -1.554
64 HG12 ILE 10 HG12 ILE 10 1.402 4.157 -4.504
65 HG13 ILE 10 HG11 ILE 10 0.335 3.687 -3.186
66 HG21 ILE 10 HG21 ILE 10 4.259 5.057 -2.274
67 HG22 ILE 10 HG22 ILE 10 3.053 6.171 -2.916
68 HG23 ILE 10 HG23 ILE 10 3.766 4.944 -3.963
69 HD11 ILE 10 HD11 ILE 10 -0.279 5.841 -4.159
70 HD12 ILE 10 HD12 ILE 10 1.305 6.482 -3.725
71 HD13 ILE 10 HD13 ILE 10 0.175 5.990 -2.462
72 H SER 11 HN SER 11 2.890 2.745 -0.118
73 HA SER 11 HA SER 11 5.675 3.033 0.317
74 HB2 SER 11 HB2 SER 11 3.611 1.956 2.250
75 HB3 SER 11 HB1 SER 11 5.146 2.732 2.648
76 HG SER 11 HG SER 11 4.208 4.601 1.435
77 H ASN 12 HN ASN 12 6.831 1.443 -0.720
78 HA ASN 12 HA ASN 12 6.664 -1.212 0.511
79 HB2 ASN 12 HB2 ASN 12 5.593 -1.552 -1.606
80 HB3 ASN 12 HB1 ASN 12 6.840 -0.639 -2.454
81 HD21 ASN 12 HD21 ASN 12 8.760 -1.629 -2.962
82 HD22 ASN 12 HD22 ASN 12 9.026 -3.327 -2.774
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 -5.574 -5.897 -0.380
2 H2 HIS 1 HT2 HIS 1 -5.355 -4.303 0.130
3 H3 HIS 1 HT3 HIS 1 -4.967 -4.742 -1.453
4 HA HIS 1 HA HIS 1 -7.266 -5.216 -1.930
5 HB2 HIS 1 HB2 HIS 1 -7.657 -4.317 0.925
6 HB3 HIS 1 HB1 HIS 1 -8.968 -4.371 -0.246
7 HD1 HIS 1 HD1 HIS 1 -7.534 -6.337 2.343
8 HD2 HIS 1 HD2 HIS 1 -9.128 -7.171 -1.404
9 HE1 HIS 1 HE1 HIS 1 -8.110 -8.784 2.383
10 HE2 HIS 1 HE2 HIS 1 -8.986 -9.287 0.073
11 H GLU 2 HN GLU 2 -6.399 -2.441 0.158
12 HA GLU 2 HA GLU 2 -7.128 -0.699 -2.100
13 HB2 GLU 2 HB2 GLU 2 -8.638 -0.667 -0.021
14 HB3 GLU 2 HB1 GLU 2 -7.294 0.116 0.801
15 HG2 GLU 2 HG2 GLU 2 -7.361 1.951 -0.817
16 HG3 GLU 2 HG1 GLU 2 -8.696 1.155 -1.655
17 H VAL 3 HN VAL 3 -6.063 1.411 0.044
18 HA VAL 3 HA VAL 3 -3.231 1.128 -0.674
19 HB VAL 3 HB VAL 3 -4.817 3.665 -1.138
20 HG11 VAL 3 HG11 VAL 3 -2.452 4.043 -0.641
21 HG12 VAL 3 HG12 VAL 3 -2.814 4.433 -2.322
22 HG13 VAL 3 HG13 VAL 3 -1.997 2.922 -1.924
23 HG21 VAL 3 HG21 VAL 3 -5.523 1.982 -2.739
24 HG22 VAL 3 HG22 VAL 3 -3.844 1.658 -3.168
25 HG23 VAL 3 HG23 VAL 3 -4.562 3.226 -3.537
26 HA PRO 4 HA PRO 4 -3.758 2.947 3.563
27 HB2 PRO 4 HB2 PRO 4 -3.627 0.578 5.008
28 HB3 PRO 4 HB1 PRO 4 -5.118 1.378 4.510
29 HG2 PRO 4 HG2 PRO 4 -4.170 -1.143 3.629
30 HG3 PRO 4 HG1 PRO 4 -5.553 -0.232 2.989
31 HD2 PRO 4 HD2 PRO 4 -2.745 -0.373 1.980
32 HD3 PRO 4 HD1 PRO 4 -4.271 -0.238 1.073
33 H SER 5 HN SER 5 -1.396 2.260 1.859
34 HA SER 5 HA SER 5 0.836 1.856 1.924
35 HB2 SER 5 HB2 SER 5 0.474 3.095 4.661
36 HB3 SER 5 HB1 SER 5 2.032 2.859 3.868
37 HG SER 5 HG SER 5 1.219 4.966 3.523
38 H GLY 6 HN GLY 6 -0.513 -0.417 2.341
39 HA2 GLY 6 HA2 GLY 6 1.049 -1.761 4.445
40 HA3 GLY 6 HA1 GLY 6 -0.628 -2.168 4.119
41 HA PRO 7 HA PRO 7 0.717 -5.278 1.284
42 HB2 PRO 7 HB2 PRO 7 -1.262 -5.238 -0.564
43 HB3 PRO 7 HB1 PRO 7 -1.472 -5.916 1.054
44 HG2 PRO 7 HG2 PRO 7 -2.263 -3.221 0.011
45 HG3 PRO 7 HG1 PRO 7 -3.187 -4.337 1.036
46 HD2 PRO 7 HD2 PRO 7 -1.891 -2.212 2.062
47 HD3 PRO 7 HD1 PRO 7 -2.026 -3.745 2.946
48 H ASN 8 HN ASN 8 2.382 -3.491 0.810
49 HA ASN 8 HA ASN 8 3.542 -2.089 -0.563
50 HB2 ASN 8 HB2 ASN 8 4.320 -3.252 -2.611
51 HB3 ASN 8 HB1 ASN 8 4.426 -4.226 -1.156
52 HD21 ASN 8 HD21 ASN 8 3.021 -3.874 -4.265
53 HD22 ASN 8 HD22 ASN 8 2.196 -5.393 -4.311
54 HA PRO 9 HA PRO 9 0.120 -0.480 -3.305
55 HB2 PRO 9 HB2 PRO 9 -0.419 1.668 -1.468
56 HB3 PRO 9 HB1 PRO 9 -1.502 0.370 -1.970
57 HG2 PRO 9 HG2 PRO 9 -0.504 0.641 0.573
58 HG3 PRO 9 HG1 PRO 9 -1.038 -0.897 -0.127
59 HD2 PRO 9 HD2 PRO 9 1.741 0.194 0.158
60 HD3 PRO 9 HD1 PRO 9 1.147 -1.463 0.413
61 H ILE 10 HN ILE 10 1.510 1.984 -1.155
62 HA ILE 10 HA ILE 10 3.255 2.852 -3.371
63 HB ILE 10 HB ILE 10 2.054 4.804 -1.399
64 HG12 ILE 10 HG12 ILE 10 1.031 4.128 -4.171
65 HG13 ILE 10 HG11 ILE 10 0.214 3.740 -2.661
66 HG21 ILE 10 HG21 ILE 10 2.686 6.455 -3.102
67 HG22 ILE 10 HG22 ILE 10 3.333 5.160 -4.111
68 HG23 ILE 10 HG23 ILE 10 4.080 5.522 -2.555
69 HD11 ILE 10 HD11 ILE 10 0.791 6.513 -3.676
70 HD12 ILE 10 HD12 ILE 10 -0.074 6.105 -2.194
71 HD13 ILE 10 HD13 ILE 10 -0.761 5.682 -3.761
72 H SER 11 HN SER 11 3.467 1.125 -0.956
73 HA SER 11 HA SER 11 5.996 2.085 -0.006
74 HB2 SER 11 HB2 SER 11 4.437 3.281 1.501
75 HB3 SER 11 HB1 SER 11 3.711 1.743 1.959
76 HG SER 11 HG SER 11 6.356 2.642 2.459
77 H ASN 12 HN ASN 12 7.229 0.337 -0.027
78 HA ASN 12 HA ASN 12 6.188 -2.203 0.947
79 HB2 ASN 12 HB2 ASN 12 7.053 -3.433 -1.005
80 HB3 ASN 12 HB1 ASN 12 5.768 -2.322 -1.456
81 HD21 ASN 12 HD21 ASN 12 9.135 -3.072 -1.721
82 HD22 ASN 12 HD22 ASN 12 9.510 -1.910 -2.946
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 -4.993 -3.071 -1.122
2 H2 HIS 1 HT2 HIS 1 -4.389 -3.479 -2.645
3 H3 HIS 1 HT3 HIS 1 -5.214 -4.633 -1.729
4 HA HIS 1 HA HIS 1 -6.610 -3.824 -3.477
5 HB2 HIS 1 HB2 HIS 1 -7.626 -4.449 -1.315
6 HB3 HIS 1 HB1 HIS 1 -7.472 -2.789 -0.769
7 HD1 HIS 1 HD1 HIS 1 -9.449 -4.952 -3.123
8 HD2 HIS 1 HD2 HIS 1 -9.445 -1.049 -1.682
9 HE1 HIS 1 HE1 HIS 1 -11.650 -3.963 -3.830
10 HE2 HIS 1 HE2 HIS 1 -11.589 -1.580 -3.019
11 H GLU 2 HN GLU 2 -6.500 -1.068 -1.170
12 HA GLU 2 HA GLU 2 -6.575 0.662 -3.541
13 HB2 GLU 2 HB2 GLU 2 -8.484 0.850 -1.961
14 HB3 GLU 2 HB1 GLU 2 -7.365 1.375 -0.714
15 HG2 GLU 2 HG2 GLU 2 -8.482 3.278 -1.664
16 HG3 GLU 2 HG1 GLU 2 -6.772 3.319 -2.090
17 H VAL 3 HN VAL 3 -5.678 1.857 -0.353
18 HA VAL 3 HA VAL 3 -2.868 1.852 -0.970
19 HB VAL 3 HB VAL 3 -3.803 3.692 -2.328
20 HG11 VAL 3 HG11 VAL 3 -5.594 4.443 -0.893
21 HG12 VAL 3 HG12 VAL 3 -4.507 5.778 -1.278
22 HG13 VAL 3 HG13 VAL 3 -4.426 5.002 0.304
23 HG21 VAL 3 HG21 VAL 3 -1.873 4.506 -0.162
24 HG22 VAL 3 HG22 VAL 3 -2.132 5.386 -1.668
25 HG23 VAL 3 HG23 VAL 3 -1.475 3.751 -1.706
26 HA PRO 4 HA PRO 4 -4.076 2.275 3.571
27 HB2 PRO 4 HB2 PRO 4 -3.387 -0.477 4.059
28 HB3 PRO 4 HB1 PRO 4 -4.961 0.299 4.215
29 HG2 PRO 4 HG2 PRO 4 -4.377 -1.595 2.330
30 HG3 PRO 4 HG1 PRO 4 -5.637 -0.361 2.153
31 HD2 PRO 4 HD2 PRO 4 -2.862 -0.406 1.029
32 HD3 PRO 4 HD1 PRO 4 -4.382 0.107 0.262
33 H SER 5 HN SER 5 -1.447 1.851 1.759
34 HA SER 5 HA SER 5 0.794 1.960 2.021
35 HB2 SER 5 HB2 SER 5 0.166 3.926 3.419
36 HB3 SER 5 HB1 SER 5 0.137 2.879 4.836
37 HG SER 5 HG SER 5 2.362 2.434 4.428
38 H GLY 6 HN GLY 6 -0.661 -0.491 2.724
39 HA2 GLY 6 HA2 GLY 6 1.246 -1.688 4.626
40 HA3 GLY 6 HA1 GLY 6 -0.380 -2.290 4.338
41 HA PRO 7 HA PRO 7 1.328 -5.191 1.501
42 HB2 PRO 7 HB2 PRO 7 -0.797 -5.638 -0.118
43 HB3 PRO 7 HB1 PRO 7 -0.701 -6.256 1.533
44 HG2 PRO 7 HG2 PRO 7 -2.151 -3.863 0.486
45 HG3 PRO 7 HG1 PRO 7 -2.677 -5.056 1.683
46 HD2 PRO 7 HD2 PRO 7 -1.729 -2.607 2.362
47 HD3 PRO 7 HD1 PRO 7 -1.529 -4.039 3.390
48 H ASN 8 HN ASN 8 2.723 -3.435 0.689
49 HA ASN 8 HA ASN 8 3.558 -1.995 -0.873
50 HB2 ASN 8 HB2 ASN 8 3.973 -3.179 -3.049
51 HB3 ASN 8 HB1 ASN 8 4.484 -4.041 -1.608
52 HD21 ASN 8 HD21 ASN 8 3.421 -5.931 -1.026
53 HD22 ASN 8 HD22 ASN 8 2.357 -6.764 -2.105
54 HA PRO 9 HA PRO 9 -0.161 -0.459 -3.147
55 HB2 PRO 9 HB2 PRO 9 -0.766 1.538 -1.219
56 HB3 PRO 9 HB1 PRO 9 -1.707 0.090 -1.579
57 HG2 PRO 9 HG2 PRO 9 -0.385 0.593 0.815
58 HG3 PRO 9 HG1 PRO 9 -0.929 -0.997 0.259
59 HD2 PRO 9 HD2 PRO 9 1.796 0.232 0.115
60 HD3 PRO 9 HD1 PRO 9 1.331 -1.452 0.455
61 H ILE 10 HN ILE 10 1.319 1.873 -0.926
62 HA ILE 10 HA ILE 10 2.677 3.139 -3.209
63 HB ILE 10 HB ILE 10 0.831 4.511 -2.166
64 HG12 ILE 10 HG12 ILE 10 3.617 5.650 -1.876
65 HG13 ILE 10 HG11 ILE 10 2.716 5.549 -3.384
66 HG21 ILE 10 HG21 ILE 10 2.675 4.504 0.217
67 HG22 ILE 10 HG22 ILE 10 1.058 3.804 0.132
68 HG23 ILE 10 HG23 ILE 10 1.270 5.552 0.023
69 HD11 ILE 10 HD11 ILE 10 1.021 7.051 -2.463
70 HD12 ILE 10 HD12 ILE 10 2.625 7.786 -2.469
71 HD13 ILE 10 HD13 ILE 10 1.945 7.163 -0.966
72 H SER 11 HN SER 11 3.197 1.019 -1.062
73 HA SER 11 HA SER 11 5.671 2.132 0.070
74 HB2 SER 11 HB2 SER 11 3.951 0.069 1.448
75 HB3 SER 11 HB1 SER 11 5.234 1.059 2.143
76 HG SER 11 HG SER 11 3.821 2.558 2.519
77 H ASN 12 HN ASN 12 6.697 1.178 -1.807
78 HA ASN 12 HA ASN 12 7.560 -1.499 -1.270
79 HB2 ASN 12 HB2 ASN 12 7.052 -2.213 -3.709
80 HB3 ASN 12 HB1 ASN 12 5.769 -2.306 -2.514
81 HD21 ASN 12 HD21 ASN 12 6.938 0.603 -4.166
82 HD22 ASN 12 HD22 ASN 12 5.453 0.927 -4.999
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 -7.530 -5.035 1.000
2 H2 HIS 1 HT2 HIS 1 -8.707 -4.263 0.066
3 H3 HIS 1 HT3 HIS 1 -7.693 -3.356 1.067
4 HA HIS 1 HA HIS 1 -5.778 -3.986 -0.248
5 HB2 HIS 1 HB2 HIS 1 -6.833 -6.165 -0.996
6 HB3 HIS 1 HB1 HIS 1 -7.800 -5.232 -2.126
7 HD1 HIS 1 HD1 HIS 1 -6.683 -4.467 -4.286
8 HD2 HIS 1 HD2 HIS 1 -4.081 -6.355 -1.653
9 HE1 HIS 1 HE1 HIS 1 -4.587 -4.902 -5.602
10 HE2 HIS 1 HE2 HIS 1 -3.112 -6.220 -4.045
11 H GLU 2 HN GLU 2 -6.441 -1.649 0.095
12 HA GLU 2 HA GLU 2 -7.324 -0.545 -2.485
13 HB2 GLU 2 HB2 GLU 2 -8.976 -0.141 -0.689
14 HB3 GLU 2 HB1 GLU 2 -7.742 0.687 0.244
15 HG2 GLU 2 HG2 GLU 2 -9.189 2.283 -0.846
16 HG3 GLU 2 HG1 GLU 2 -7.558 2.388 -1.510
17 H VAL 3 HN VAL 3 -6.187 1.530 0.065
18 HA VAL 3 HA VAL 3 -3.478 1.619 -1.017
19 HB VAL 3 HB VAL 3 -5.141 4.148 -0.874
20 HG11 VAL 3 HG11 VAL 3 -3.252 5.151 -2.085
21 HG12 VAL 3 HG12 VAL 3 -2.395 3.612 -2.008
22 HG13 VAL 3 HG13 VAL 3 -2.758 4.495 -0.525
23 HG21 VAL 3 HG21 VAL 3 -5.994 2.822 -2.707
24 HG22 VAL 3 HG22 VAL 3 -4.360 2.563 -3.314
25 HG23 VAL 3 HG23 VAL 3 -5.062 4.179 -3.337
26 HA PRO 4 HA PRO 4 -3.814 2.629 3.517
27 HB2 PRO 4 HB2 PRO 4 -3.093 0.055 4.416
28 HB3 PRO 4 HB1 PRO 4 -4.710 0.757 4.425
29 HG2 PRO 4 HG2 PRO 4 -3.884 -1.429 2.891
30 HG3 PRO 4 HG1 PRO 4 -5.360 -0.477 2.653
31 HD2 PRO 4 HD2 PRO 4 -2.740 -0.290 1.235
32 HD3 PRO 4 HD1 PRO 4 -4.387 -0.092 0.597
33 H SER 5 HN SER 5 -1.515 1.740 1.361
34 HA SER 5 HA SER 5 0.756 1.709 1.248
35 HB2 SER 5 HB2 SER 5 0.564 3.232 3.862
36 HB3 SER 5 HB1 SER 5 1.987 3.133 2.825
37 HG SER 5 HG SER 5 -0.425 4.509 2.433
38 H GLY 6 HN GLY 6 -0.792 -0.346 2.854
39 HA2 GLY 6 HA2 GLY 6 1.097 -1.262 4.831
40 HA3 GLY 6 HA1 GLY 6 -0.383 -2.073 4.341
41 HA PRO 7 HA PRO 7 1.990 -4.952 2.037
42 HB2 PRO 7 HB2 PRO 7 0.392 -5.434 -0.129
43 HB3 PRO 7 HB1 PRO 7 0.097 -6.093 1.482
44 HG2 PRO 7 HG2 PRO 7 -1.170 -3.756 0.127
45 HG3 PRO 7 HG1 PRO 7 -1.903 -4.976 1.182
46 HD2 PRO 7 HD2 PRO 7 -1.259 -2.475 2.030
47 HD3 PRO 7 HD1 PRO 7 -1.252 -3.893 3.096
48 H ASN 8 HN ASN 8 0.477 -3.434 -0.773
49 HA ASN 8 HA ASN 8 3.183 -2.898 -1.749
50 HB2 ASN 8 HB2 ASN 8 2.462 -4.544 -3.142
51 HB3 ASN 8 HB1 ASN 8 0.782 -4.019 -3.098
52 HD21 ASN 8 HD21 ASN 8 3.887 -3.609 -4.589
53 HD22 ASN 8 HD22 ASN 8 3.346 -2.644 -5.918
54 HA PRO 9 HA PRO 9 -0.112 0.408 -3.893
55 HB2 PRO 9 HB2 PRO 9 -0.737 1.617 -1.291
56 HB3 PRO 9 HB1 PRO 9 -1.803 1.248 -2.645
57 HG2 PRO 9 HG2 PRO 9 -1.290 -0.311 -0.256
58 HG3 PRO 9 HG1 PRO 9 -2.512 -0.573 -1.510
59 HD2 PRO 9 HD2 PRO 9 -0.416 -2.246 -1.112
60 HD3 PRO 9 HD1 PRO 9 -1.149 -1.998 -2.707
61 H ILE 10 HN ILE 10 1.044 1.658 -0.775
62 HA ILE 10 HA ILE 10 3.250 2.969 -2.209
63 HB ILE 10 HB ILE 10 1.898 4.194 0.199
64 HG12 ILE 10 HG12 ILE 10 1.420 4.876 -2.716
65 HG13 ILE 10 HG11 ILE 10 0.273 4.041 -1.674
66 HG21 ILE 10 HG21 ILE 10 4.185 4.912 -0.230
67 HG22 ILE 10 HG22 ILE 10 3.055 6.226 -0.558
68 HG23 ILE 10 HG23 ILE 10 3.763 5.318 -1.894
69 HD11 ILE 10 HD11 ILE 10 1.284 6.851 -1.298
70 HD12 ILE 10 HD12 ILE 10 0.142 6.017 -0.245
71 HD13 ILE 10 HD13 ILE 10 -0.300 6.383 -1.913
72 H SER 11 HN SER 11 3.862 0.653 -1.400
73 HA SER 11 HA SER 11 5.492 1.007 0.973
74 HB2 SER 11 HB2 SER 11 3.330 0.178 1.839
75 HB3 SER 11 HB1 SER 11 3.459 -1.227 0.785
76 HG SER 11 HG SER 11 4.191 -1.789 2.811
77 H ASN 12 HN ASN 12 4.454 -1.126 -1.673
78 HA ASN 12 HA ASN 12 7.137 -2.336 -1.620
79 HB2 ASN 12 HB2 ASN 12 5.274 -3.950 -1.322
80 HB3 ASN 12 HB1 ASN 12 4.613 -3.461 -2.882
81 HD21 ASN 12 HD21 ASN 12 7.146 -5.176 -1.245
82 HD22 ASN 12 HD22 ASN 12 7.783 -5.981 -2.638
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 -5.252 -3.278 1.273
2 H2 HIS 1 HT2 HIS 1 -4.131 -4.037 0.262
3 H3 HIS 1 HT3 HIS 1 -5.078 -4.960 1.314
4 HA HIS 1 HA HIS 1 -5.925 -5.180 -0.883
5 HB2 HIS 1 HB2 HIS 1 -7.615 -3.466 0.936
6 HB3 HIS 1 HB1 HIS 1 -8.236 -4.193 -0.540
7 HD1 HIS 1 HD1 HIS 1 -8.139 -4.782 2.940
8 HD2 HIS 1 HD2 HIS 1 -7.730 -7.193 -0.418
9 HE1 HIS 1 HE1 HIS 1 -8.608 -7.119 3.728
10 HE2 HIS 1 HE2 HIS 1 -8.518 -8.535 1.649
11 H GLU 2 HN GLU 2 -6.731 -1.811 -0.012
12 HA GLU 2 HA GLU 2 -6.377 -1.133 -2.829
13 HB2 GLU 2 HB2 GLU 2 -8.509 -0.544 -1.769
14 HB3 GLU 2 HB1 GLU 2 -7.660 0.431 -0.584
15 HG2 GLU 2 HG2 GLU 2 -8.624 1.854 -2.232
16 HG3 GLU 2 HG1 GLU 2 -6.874 1.896 -2.399
17 H VAL 3 HN VAL 3 -6.065 1.293 -0.335
18 HA VAL 3 HA VAL 3 -3.173 1.456 -0.769
19 HB VAL 3 HB VAL 3 -5.006 3.848 -1.101
20 HG11 VAL 3 HG11 VAL 3 -2.871 4.464 -0.122
21 HG12 VAL 3 HG12 VAL 3 -2.961 5.032 -1.789
22 HG13 VAL 3 HG13 VAL 3 -2.012 3.598 -1.396
23 HG21 VAL 3 HG21 VAL 3 -4.283 3.856 -3.442
24 HG22 VAL 3 HG22 VAL 3 -5.150 2.377 -3.035
25 HG23 VAL 3 HG23 VAL 3 -3.394 2.360 -3.169
26 HA PRO 4 HA PRO 4 -4.340 2.382 3.594
27 HB2 PRO 4 HB2 PRO 4 -3.758 -0.182 4.562
28 HB3 PRO 4 HB1 PRO 4 -5.361 0.419 4.137
29 HG2 PRO 4 HG2 PRO 4 -3.983 -1.648 2.831
30 HG3 PRO 4 HG1 PRO 4 -5.415 -0.791 2.228
31 HD2 PRO 4 HD2 PRO 4 -2.525 -0.304 1.611
32 HD3 PRO 4 HD1 PRO 4 -3.938 -0.265 0.527
33 H SER 5 HN SER 5 -1.676 2.179 1.981
34 HA SER 5 HA SER 5 0.567 2.259 2.300
35 HB2 SER 5 HB2 SER 5 -0.207 4.195 3.719
36 HB3 SER 5 HB1 SER 5 -0.147 3.125 5.116
37 HG SER 5 HG SER 5 2.071 2.892 4.798
38 H GLY 6 HN GLY 6 -0.219 -0.239 2.371
39 HA2 GLY 6 HA2 GLY 6 1.208 -1.417 4.658
40 HA3 GLY 6 HA1 GLY 6 -0.362 -2.033 4.178
41 HA PRO 7 HA PRO 7 1.535 -5.216 1.922
42 HB2 PRO 7 HB2 PRO 7 -0.435 -4.694 -0.247
43 HB3 PRO 7 HB1 PRO 7 -0.084 -6.193 0.621
44 HG2 PRO 7 HG2 PRO 7 -2.285 -4.789 1.155
45 HG3 PRO 7 HG1 PRO 7 -1.376 -5.594 2.446
46 HD2 PRO 7 HD2 PRO 7 -1.477 -2.703 1.716
47 HD3 PRO 7 HD1 PRO 7 -1.351 -3.462 3.315
48 H ASN 8 HN ASN 8 0.382 -3.259 -0.815
49 HA ASN 8 HA ASN 8 3.028 -2.294 -1.380
50 HB2 ASN 8 HB2 ASN 8 3.208 -3.367 -3.594
51 HB3 ASN 8 HB1 ASN 8 3.237 -4.522 -2.274
52 HD21 ASN 8 HD21 ASN 8 2.610 -4.944 -5.068
53 HD22 ASN 8 HD22 ASN 8 1.004 -5.584 -5.125
54 HA PRO 9 HA PRO 9 -0.240 0.307 -3.442
55 HB2 PRO 9 HB2 PRO 9 -0.240 2.214 -1.299
56 HB3 PRO 9 HB1 PRO 9 -1.590 1.235 -1.873
57 HG2 PRO 9 HG2 PRO 9 -0.390 0.956 0.596
58 HG3 PRO 9 HG1 PRO 9 -1.327 -0.306 -0.221
59 HD2 PRO 9 HD2 PRO 9 1.637 0.037 -0.038
60 HD3 PRO 9 HD1 PRO 9 0.665 -1.451 0.006
61 H ILE 10 HN ILE 10 1.769 1.963 -1.047
62 HA ILE 10 HA ILE 10 3.518 2.911 -3.215
63 HB ILE 10 HB ILE 10 2.159 4.713 -2.163
64 HG12 ILE 10 HG12 ILE 10 5.127 4.885 -1.597
65 HG13 ILE 10 HG11 ILE 10 4.357 5.223 -3.142
66 HG21 ILE 10 HG21 ILE 10 3.684 3.988 0.334
67 HG22 ILE 10 HG22 ILE 10 1.950 3.797 0.070
68 HG23 ILE 10 HG23 ILE 10 2.659 5.410 0.139
69 HD11 ILE 10 HD11 ILE 10 4.919 7.268 -1.967
70 HD12 ILE 10 HD12 ILE 10 3.943 6.759 -0.589
71 HD13 ILE 10 HD13 ILE 10 3.171 7.101 -2.137
72 H SER 11 HN SER 11 3.218 0.976 -0.543
73 HA SER 11 HA SER 11 5.983 1.275 0.342
74 HB2 SER 11 HB2 SER 11 5.124 -0.344 2.173
75 HB3 SER 11 HB1 SER 11 4.538 1.319 2.197
76 HG SER 11 HG SER 11 3.137 -0.961 1.952
77 H ASN 12 HN ASN 12 6.426 0.288 -1.885
78 HA ASN 12 HA ASN 12 7.065 -2.496 -1.460
79 HB2 ASN 12 HB2 ASN 12 4.887 -2.780 -2.477
80 HB3 ASN 12 HB1 ASN 12 5.297 -1.642 -3.761
81 HD21 ASN 12 HD21 ASN 12 5.856 -4.830 -2.470
82 HD22 ASN 12 HD22 ASN 12 6.538 -5.506 -3.908
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 -5.727 -3.254 3.052
2 H2 HIS 1 HT2 HIS 1 -6.386 -4.471 2.084
3 H3 HIS 1 HT3 HIS 1 -7.165 -4.016 3.510
4 HA HIS 1 HA HIS 1 -8.277 -3.133 1.565
5 HB2 HIS 1 HB2 HIS 1 -6.941 -1.122 3.383
6 HB3 HIS 1 HB1 HIS 1 -8.208 -0.692 2.245
7 HD1 HIS 1 HD1 HIS 1 -10.618 -1.327 2.862
8 HD2 HIS 1 HD2 HIS 1 -7.784 -2.634 5.609
9 HE1 HIS 1 HE1 HIS 1 -11.920 -2.090 4.874
10 HE2 HIS 1 HE2 HIS 1 -10.178 -2.748 6.573
11 H GLU 2 HN GLU 2 -8.072 -1.008 0.084
12 HA GLU 2 HA GLU 2 -6.212 -1.954 -1.825
13 HB2 GLU 2 HB2 GLU 2 -7.020 -0.093 -3.253
14 HB3 GLU 2 HB1 GLU 2 -8.297 -1.106 -2.601
15 HG2 GLU 2 HG2 GLU 2 -8.909 0.557 -1.013
16 HG3 GLU 2 HG1 GLU 2 -7.491 1.527 -1.406
17 H VAL 3 HN VAL 3 -6.202 1.060 0.111
18 HA VAL 3 HA VAL 3 -3.443 1.468 -0.763
19 HB VAL 3 HB VAL 3 -4.898 2.674 -2.329
20 HG11 VAL 3 HG11 VAL 3 -5.743 4.332 0.035
21 HG12 VAL 3 HG12 VAL 3 -6.757 3.199 -0.854
22 HG13 VAL 3 HG13 VAL 3 -6.146 4.646 -1.652
23 HG21 VAL 3 HG21 VAL 3 -3.756 4.844 -2.213
24 HG22 VAL 3 HG22 VAL 3 -2.657 3.491 -1.948
25 HG23 VAL 3 HG23 VAL 3 -3.216 4.455 -0.580
26 HA PRO 4 HA PRO 4 -3.937 2.797 3.642
27 HB2 PRO 4 HB2 PRO 4 -3.512 0.404 4.911
28 HB3 PRO 4 HB1 PRO 4 -5.105 0.978 4.414
29 HG2 PRO 4 HG2 PRO 4 -3.650 -1.277 3.393
30 HG3 PRO 4 HG1 PRO 4 -5.243 -0.683 2.897
31 HD2 PRO 4 HD2 PRO 4 -2.590 -0.196 1.669
32 HD3 PRO 4 HD1 PRO 4 -4.203 -0.225 0.919
33 H SER 5 HN SER 5 -1.559 2.100 1.700
34 HA SER 5 HA SER 5 0.697 1.859 1.694
35 HB2 SER 5 HB2 SER 5 0.534 3.958 3.026
36 HB3 SER 5 HB1 SER 5 0.508 2.995 4.500
37 HG SER 5 HG SER 5 2.587 2.271 4.021
38 H GLY 6 HN GLY 6 -0.906 -0.354 2.495
39 HA2 GLY 6 HA2 GLY 6 0.541 -1.632 4.679
40 HA3 GLY 6 HA1 GLY 6 -0.948 -2.204 3.948
41 HA PRO 7 HA PRO 7 1.277 -5.384 1.962
42 HB2 PRO 7 HB2 PRO 7 -0.363 -4.946 -0.467
43 HB3 PRO 7 HB1 PRO 7 -0.182 -6.398 0.520
44 HG2 PRO 7 HG2 PRO 7 -2.412 -4.926 0.613
45 HG3 PRO 7 HG1 PRO 7 -1.755 -5.708 2.063
46 HD2 PRO 7 HD2 PRO 7 -1.627 -2.840 1.230
47 HD3 PRO 7 HD1 PRO 7 -1.839 -3.538 2.848
48 H ASN 8 HN ASN 8 0.442 -3.465 -0.914
49 HA ASN 8 HA ASN 8 3.100 -2.358 -1.058
50 HB2 ASN 8 HB2 ASN 8 3.541 -3.282 -3.336
51 HB3 ASN 8 HB1 ASN 8 3.562 -4.478 -2.047
52 HD21 ASN 8 HD21 ASN 8 2.003 -6.066 -1.989
53 HD22 ASN 8 HD22 ASN 8 0.920 -6.364 -3.304
54 HA PRO 9 HA PRO 9 -0.261 0.118 -3.230
55 HB2 PRO 9 HB2 PRO 9 -0.190 1.967 -0.975
56 HB3 PRO 9 HB1 PRO 9 -1.579 1.146 -1.690
57 HG2 PRO 9 HG2 PRO 9 -0.654 0.526 0.769
58 HG3 PRO 9 HG1 PRO 9 -1.378 -0.686 -0.306
59 HD2 PRO 9 HD2 PRO 9 1.526 -0.110 0.210
60 HD3 PRO 9 HD1 PRO 9 0.689 -1.678 0.131
61 H ILE 10 HN ILE 10 1.907 1.775 -0.931
62 HA ILE 10 HA ILE 10 3.226 3.011 -3.247
63 HB ILE 10 HB ILE 10 1.755 4.591 -2.076
64 HG12 ILE 10 HG12 ILE 10 3.459 6.383 -1.696
65 HG13 ILE 10 HG11 ILE 10 4.712 5.154 -1.829
66 HG21 ILE 10 HG21 ILE 10 3.557 4.155 0.292
67 HG22 ILE 10 HG22 ILE 10 1.866 3.671 0.164
68 HG23 ILE 10 HG23 ILE 10 2.296 5.382 0.169
69 HD11 ILE 10 HD11 ILE 10 4.437 6.401 -3.900
70 HD12 ILE 10 HD12 ILE 10 2.751 5.895 -3.987
71 HD13 ILE 10 HD13 ILE 10 4.040 4.698 -4.118
72 H SER 11 HN SER 11 3.613 1.602 -0.054
73 HA SER 11 HA SER 11 6.513 2.022 -0.274
74 HB2 SER 11 HB2 SER 11 4.873 1.759 2.254
75 HB3 SER 11 HB1 SER 11 6.609 2.058 2.165
76 HG SER 11 HG SER 11 5.919 3.978 0.851
77 H ASN 12 HN ASN 12 6.534 0.018 -1.513
78 HA ASN 12 HA ASN 12 7.715 -1.989 0.000
79 HB2 ASN 12 HB2 ASN 12 5.357 -2.561 0.646
80 HB3 ASN 12 HB1 ASN 12 5.018 -2.885 -1.055
81 HD21 ASN 12 HD21 ASN 12 4.526 -5.041 -0.570
82 HD22 ASN 12 HD22 ASN 12 5.766 -6.200 -0.248
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 -3.712 -2.009 -2.655
2 H2 HIS 1 HT2 HIS 1 -3.015 -1.554 -4.120
3 H3 HIS 1 HT3 HIS 1 -3.215 -3.190 -3.756
4 HA HIS 1 HA HIS 1 -4.856 -2.463 -5.340
5 HB2 HIS 1 HB2 HIS 1 -5.992 -3.034 -2.593
6 HB3 HIS 1 HB1 HIS 1 -6.901 -3.145 -4.094
7 HD1 HIS 1 HD1 HIS 1 -5.256 -5.240 -1.793
8 HD2 HIS 1 HD2 HIS 1 -5.405 -5.077 -5.944
9 HE1 HIS 1 HE1 HIS 1 -4.541 -7.517 -2.587
10 HE2 HIS 1 HE2 HIS 1 -4.842 -7.451 -5.087
11 H GLU 2 HN GLU 2 -5.668 -0.906 -2.198
12 HA GLU 2 HA GLU 2 -6.654 1.370 -3.767
13 HB2 GLU 2 HB2 GLU 2 -8.267 0.312 -2.212
14 HB3 GLU 2 HB1 GLU 2 -7.209 0.719 -0.870
15 HG2 GLU 2 HG2 GLU 2 -8.884 2.362 -0.887
16 HG3 GLU 2 HG1 GLU 2 -7.453 3.131 -1.575
17 H VAL 3 HN VAL 3 -5.833 1.750 -0.378
18 HA VAL 3 HA VAL 3 -3.220 2.810 -0.889
19 HB VAL 3 HB VAL 3 -4.784 4.530 -1.768
20 HG11 VAL 3 HG11 VAL 3 -6.598 4.355 -0.215
21 HG12 VAL 3 HG12 VAL 3 -5.954 5.996 -0.175
22 HG13 VAL 3 HG13 VAL 3 -5.559 4.861 1.116
23 HG21 VAL 3 HG21 VAL 3 -3.007 5.364 0.518
24 HG22 VAL 3 HG22 VAL 3 -3.634 6.449 -0.722
25 HG23 VAL 3 HG23 VAL 3 -2.529 5.149 -1.165
26 HA PRO 4 HA PRO 4 -4.254 1.998 3.649
27 HB2 PRO 4 HB2 PRO 4 -3.348 -0.682 3.724
28 HB3 PRO 4 HB1 PRO 4 -5.010 -0.117 3.864
29 HG2 PRO 4 HG2 PRO 4 -3.948 -1.613 1.756
30 HG3 PRO 4 HG1 PRO 4 -5.498 -0.757 1.764
31 HD2 PRO 4 HD2 PRO 4 -2.901 0.034 0.553
32 HD3 PRO 4 HD1 PRO 4 -4.554 0.404 0.025
33 H SER 5 HN SER 5 -1.678 1.713 1.549
34 HA SER 5 HA SER 5 0.575 1.850 1.674
35 HB2 SER 5 HB2 SER 5 -0.060 3.033 4.386
36 HB3 SER 5 HB1 SER 5 1.504 3.138 3.577
37 HG SER 5 HG SER 5 0.731 4.812 2.594
38 H GLY 6 HN GLY 6 -0.819 -0.574 2.773
39 HA2 GLY 6 HA2 GLY 6 1.040 -1.485 4.823
40 HA3 GLY 6 HA1 GLY 6 -0.409 -2.321 4.288
41 HA PRO 7 HA PRO 7 1.966 -5.237 2.107
42 HB2 PRO 7 HB2 PRO 7 0.486 -5.528 -0.217
43 HB3 PRO 7 HB1 PRO 7 0.140 -6.327 1.319
44 HG2 PRO 7 HG2 PRO 7 -1.078 -3.871 0.139
45 HG3 PRO 7 HG1 PRO 7 -1.848 -5.176 1.060
46 HD2 PRO 7 HD2 PRO 7 -1.289 -2.798 2.177
47 HD3 PRO 7 HD1 PRO 7 -1.163 -4.312 3.095
48 H ASN 8 HN ASN 8 0.735 -3.609 -0.781
49 HA ASN 8 HA ASN 8 3.307 -2.336 -1.234
50 HB2 ASN 8 HB2 ASN 8 3.383 -3.327 -3.566
51 HB3 ASN 8 HB1 ASN 8 3.765 -4.413 -2.241
52 HD21 ASN 8 HD21 ASN 8 2.371 -6.092 -1.753
53 HD22 ASN 8 HD22 ASN 8 1.093 -6.575 -2.812
54 HA PRO 9 HA PRO 9 -0.320 -0.076 -3.247
55 HB2 PRO 9 HB2 PRO 9 -0.529 1.719 -0.973
56 HB3 PRO 9 HB1 PRO 9 -1.783 0.707 -1.695
57 HG2 PRO 9 HG2 PRO 9 -0.763 0.245 0.779
58 HG3 PRO 9 HG1 PRO 9 -1.369 -1.050 -0.272
59 HD2 PRO 9 HD2 PRO 9 1.460 -0.160 0.194
60 HD3 PRO 9 HD1 PRO 9 0.795 -1.809 0.138
61 H ILE 10 HN ILE 10 1.344 1.897 -0.829
62 HA ILE 10 HA ILE 10 2.864 3.211 -2.979
63 HB ILE 10 HB ILE 10 2.405 4.242 -0.166
64 HG12 ILE 10 HG12 ILE 10 0.937 4.992 -2.707
65 HG13 ILE 10 HG11 ILE 10 0.264 4.041 -1.388
66 HG21 ILE 10 HG21 ILE 10 4.367 5.168 -1.266
67 HG22 ILE 10 HG22 ILE 10 3.110 6.395 -1.117
68 HG23 ILE 10 HG23 ILE 10 3.393 5.608 -2.669
69 HD11 ILE 10 HD11 ILE 10 1.169 6.905 -1.217
70 HD12 ILE 10 HD12 ILE 10 0.496 5.954 0.107
71 HD13 ILE 10 HD13 ILE 10 -0.499 6.340 -1.296
72 H SER 11 HN SER 11 3.008 0.986 -0.523
73 HA SER 11 HA SER 11 5.801 1.485 0.148
74 HB2 SER 11 HB2 SER 11 5.286 -0.383 1.864
75 HB3 SER 11 HB1 SER 11 4.557 1.203 2.119
76 HG SER 11 HG SER 11 3.256 -0.969 2.106
77 H ASN 12 HN ASN 12 6.273 0.776 -2.113
78 HA ASN 12 HA ASN 12 7.229 -1.921 -1.981
79 HB2 ASN 12 HB2 ASN 12 6.253 -2.617 -4.178
80 HB3 ASN 12 HB1 ASN 12 5.069 -2.477 -2.885
81 HD21 ASN 12 HD21 ASN 12 4.850 -2.379 -5.825
82 HD22 ASN 12 HD22 ASN 12 4.025 -0.900 -6.179
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 -5.573 -2.108 -4.487
2 H2 HIS 1 HT2 HIS 1 -4.300 -2.850 -5.306
3 H3 HIS 1 HT3 HIS 1 -5.105 -1.540 -6.006
4 HA HIS 1 HA HIS 1 -3.471 -1.446 -3.537
5 HB2 HIS 1 HB2 HIS 1 -2.935 -0.210 -6.252
6 HB3 HIS 1 HB1 HIS 1 -1.911 -0.076 -4.831
7 HD1 HIS 1 HD1 HIS 1 -0.951 -2.564 -3.991
8 HD2 HIS 1 HD2 HIS 1 -2.169 -2.154 -7.947
9 HE1 HIS 1 HE1 HIS 1 0.139 -4.454 -5.238
10 HE2 HIS 1 HE2 HIS 1 -0.715 -4.262 -7.600
11 H GLU 2 HN GLU 2 -5.530 -0.525 -2.638
12 HA GLU 2 HA GLU 2 -6.519 1.898 -3.819
13 HB2 GLU 2 HB2 GLU 2 -7.983 0.284 -2.612
14 HB3 GLU 2 HB1 GLU 2 -7.194 0.746 -1.111
15 HG2 GLU 2 HG2 GLU 2 -9.257 1.929 -1.270
16 HG3 GLU 2 HG1 GLU 2 -7.941 3.080 -1.496
17 H VAL 3 HN VAL 3 -5.922 1.727 -0.340
18 HA VAL 3 HA VAL 3 -3.677 3.495 -0.432
19 HB VAL 3 HB VAL 3 -5.628 4.927 -1.026
20 HG11 VAL 3 HG11 VAL 3 -7.143 5.671 0.755
21 HG12 VAL 3 HG12 VAL 3 -6.472 4.432 1.815
22 HG13 VAL 3 HG13 VAL 3 -7.339 3.965 0.353
23 HG21 VAL 3 HG21 VAL 3 -4.143 5.660 1.492
24 HG22 VAL 3 HG22 VAL 3 -5.005 6.794 0.451
25 HG23 VAL 3 HG23 VAL 3 -3.600 5.925 -0.165
26 HA PRO 4 HA PRO 4 -4.561 1.530 3.745
27 HB2 PRO 4 HB2 PRO 4 -3.523 -1.005 3.455
28 HB3 PRO 4 HB1 PRO 4 -5.225 -0.587 3.252
29 HG2 PRO 4 HG2 PRO 4 -3.369 -1.460 1.252
30 HG3 PRO 4 HG1 PRO 4 -5.084 -1.067 1.066
31 HD2 PRO 4 HD2 PRO 4 -2.705 0.568 0.459
32 HD3 PRO 4 HD1 PRO 4 -4.358 0.701 -0.179
33 H SER 5 HN SER 5 -1.917 1.948 1.767
34 HA SER 5 HA SER 5 0.339 1.992 1.967
35 HB2 SER 5 HB2 SER 5 1.073 3.152 4.163
36 HB3 SER 5 HB1 SER 5 0.014 4.027 3.062
37 HG SER 5 HG SER 5 -1.249 2.473 4.987
38 H GLY 6 HN GLY 6 -0.496 -0.544 2.381
39 HA2 GLY 6 HA2 GLY 6 1.169 -1.462 4.633
40 HA3 GLY 6 HA1 GLY 6 -0.336 -2.245 4.190
41 HA PRO 7 HA PRO 7 1.774 -5.420 2.125
42 HB2 PRO 7 HB2 PRO 7 0.193 -5.546 -0.200
43 HB3 PRO 7 HB1 PRO 7 -0.056 -6.446 1.298
44 HG2 PRO 7 HG2 PRO 7 -1.338 -3.927 0.363
45 HG3 PRO 7 HG1 PRO 7 -2.025 -5.254 1.315
46 HD2 PRO 7 HD2 PRO 7 -1.372 -2.941 2.466
47 HD3 PRO 7 HD1 PRO 7 -1.076 -4.485 3.296
48 H ASN 8 HN ASN 8 0.632 -3.610 -0.716
49 HA ASN 8 HA ASN 8 3.260 -2.552 -1.209
50 HB2 ASN 8 HB2 ASN 8 3.574 -3.671 -3.380
51 HB3 ASN 8 HB1 ASN 8 3.558 -4.809 -2.041
52 HD21 ASN 8 HD21 ASN 8 3.096 -5.337 -4.822
53 HD22 ASN 8 HD22 ASN 8 1.502 -5.992 -4.956
54 HA PRO 9 HA PRO 9 -0.166 -0.184 -3.301
55 HB2 PRO 9 HB2 PRO 9 -0.191 1.773 -1.189
56 HB3 PRO 9 HB1 PRO 9 -1.504 0.717 -1.710
57 HG2 PRO 9 HG2 PRO 9 -0.255 0.513 0.722
58 HG3 PRO 9 HG1 PRO 9 -1.063 -0.838 -0.092
59 HD2 PRO 9 HD2 PRO 9 1.856 -0.157 0.000
60 HD3 PRO 9 HD1 PRO 9 1.064 -1.743 0.152
61 H ILE 10 HN ILE 10 1.837 1.723 -1.069
62 HA ILE 10 HA ILE 10 3.148 2.948 -3.403
63 HB ILE 10 HB ILE 10 2.674 4.186 -0.686
64 HG12 ILE 10 HG12 ILE 10 1.365 4.817 -3.338
65 HG13 ILE 10 HG11 ILE 10 0.610 3.896 -2.042
66 HG21 ILE 10 HG21 ILE 10 4.707 5.001 -1.735
67 HG22 ILE 10 HG22 ILE 10 3.466 6.254 -1.732
68 HG23 ILE 10 HG23 ILE 10 3.817 5.362 -3.213
69 HD11 ILE 10 HD11 ILE 10 -0.151 6.205 -2.077
70 HD12 ILE 10 HD12 ILE 10 1.510 6.760 -1.862
71 HD13 ILE 10 HD13 ILE 10 0.715 5.836 -0.588
72 H SER 11 HN SER 11 3.577 1.842 -0.078
73 HA SER 11 HA SER 11 6.253 2.424 0.295
74 HB2 SER 11 HB2 SER 11 4.688 1.626 2.061
75 HB3 SER 11 HB1 SER 11 4.779 0.008 1.370
76 HG SER 11 HG SER 11 6.229 0.435 3.174
77 H ASN 12 HN ASN 12 4.904 -0.702 -0.811
78 HA ASN 12 HA ASN 12 7.575 -1.413 -1.768
79 HB2 ASN 12 HB2 ASN 12 5.108 -3.120 -1.319
80 HB3 ASN 12 HB1 ASN 12 6.589 -3.713 -2.061
81 HD21 ASN 12 HD21 ASN 12 5.245 -4.487 0.439
82 HD22 ASN 12 HD22 ASN 12 6.440 -4.299 1.677