Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
595658 | 2n0b RC | 25519 | 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 H1 GLY 1 11.807 1.289 9.469
2 H2 GLY 1 H2 GLY 1 10.346 1.702 8.824
3 H3 GLY 1 H3 GLY 1 11.122 0.341 8.306
4 HA2 GLY 1 HA2 GLY 1 12.056 3.083 7.962
5 HA3 GLY 1 HA3 GLY 1 12.898 1.624 7.406
6 H ASN 2 H ASN 2 11.405 0.121 6.047
7 HA ASN 2 HA ASN 2 10.135 1.880 4.002
8 HB2 ASN 2 HB2 ASN 2 12.118 0.210 3.551
9 HB3 ASN 2 HB3 ASN 2 10.828 -1.008 3.529
10 HD21 ASN 2 HD21 ASN 2 12.112 -0.884 1.250
11 HD22 ASN 2 HD22 ASN 2 11.239 0.013 0.028
12 H HIS 3 H HIS 3 8.069 1.608 3.348
13 HA HIS 3 HA HIS 3 6.416 -0.209 5.011
14 HB2 HIS 3 HB3 HIS 3 5.713 2.099 3.168
15 HB3 HIS 3 HB2 HIS 3 4.513 1.081 3.985
16 HD2 HIS 3 HD2 HIS 3 5.188 4.394 4.612
17 HE1 HIS 3 HE1 HIS 3 6.110 2.788 8.429
18 HE2 HIS 3 HE2 HIS 3 5.563 4.926 7.155
19 H TRP 4 H TRP 4 6.589 -2.220 4.143
20 HA TRP 4 HA TRP 4 6.682 -2.815 1.365
21 HB2 TRP 4 HB2 TRP 4 6.612 -4.244 3.840
22 HB3 TRP 4 HB3 TRP 4 5.390 -4.948 2.766
23 HD1 TRP 4 HD1 TRP 4 8.687 -5.767 3.676
24 HE1 TRP 4 HE1 TRP 4 10.087 -6.816 1.778
25 HE3 TRP 4 HE3 TRP 4 5.797 -4.331 -0.287
26 HZ2 TRP 4 HZ2 TRP 4 9.949 -6.992 -1.024
27 HZ3 TRP 4 HZ3 TRP 4 6.499 -4.981 -2.557
28 HH2 TRP 4 HH2 TRP 4 8.548 -6.297 -2.918
29 H ALA 5 H ALA 5 3.922 -3.294 3.614
30 HA ALA 5 HA ALA 5 2.090 -2.342 1.510
31 HB1 ALA 5 HB1 ALA 5 0.674 -4.357 1.643
32 HB2 ALA 5 HB2 ALA 5 2.294 -4.725 1.003
33 HB3 ALA 5 HB3 ALA 5 1.889 -5.133 2.687
34 H VAL 6 H VAL 6 1.206 -0.735 2.649
35 HA VAL 6 HA VAL 6 0.681 -0.895 5.478
36 HB VAL 6 HB VAL 6 -0.460 1.015 3.410
37 HG11 VAL 6 HG11 VAL 6 -1.757 0.942 5.505
38 HG12 VAL 6 HG12 VAL 6 -0.270 1.262 6.430
39 HG13 VAL 6 HG13 VAL 6 -0.903 2.492 5.309
40 HG21 VAL 6 HG21 VAL 6 2.003 1.029 3.479
41 HG22 VAL 6 HG22 VAL 6 1.946 1.313 5.235
42 HG23 VAL 6 HG23 VAL 6 1.314 2.543 4.114
43 H GLY 7 H GLY 7 -1.685 -0.453 2.811
44 HA2 GLY 7 HA3 GLY 7 -3.312 -2.659 3.409
45 HA3 GLY 7 HA2 GLY 7 -3.870 -1.333 4.447
46 H HIS 8 H HIS 8 -4.022 0.851 3.146
47 HA HIS 8 HA HIS 8 -5.401 0.232 0.567
48 HB2 HIS 8 HB2 HIS 8 -6.849 0.825 2.630
49 HB3 HIS 8 HB3 HIS 8 -6.238 2.472 2.406
50 HD2 HIS 8 HD2 HIS 8 -6.702 1.073 -1.036
51 HE1 HIS 8 HE1 HIS 8 -10.432 2.829 -0.035
52 HE2 HIS 8 HE2 HIS 8 -9.031 1.876 -1.939
53 H LEU 9 H LEU 9 -2.662 0.958 0.837
54 HA LEU 9 HA LEU 9 -2.697 3.764 -0.188
55 HB2 LEU 9 HB2 LEU 9 -1.313 3.125 1.873
56 HB3 LEU 9 HB3 LEU 9 -0.266 2.239 0.759
57 HG LEU 9 HG LEU 9 -0.856 5.129 0.223
58 HD11 LEU 9 HD11 LEU 9 -0.279 5.033 2.617
59 HD12 LEU 9 HD12 LEU 9 1.003 5.812 1.659
60 HD13 LEU 9 HD13 LEU 9 1.204 4.134 2.218
61 HD21 LEU 9 HD21 LEU 9 0.406 3.775 -1.405
62 HD22 LEU 9 HD22 LEU 9 1.406 5.072 -0.707
63 HD23 LEU 9 HD23 LEU 9 1.608 3.394 -0.148
64 H MET 10 H MET 10 -1.995 4.216 -2.194
65 HA MET 10 HA MET 10 -0.990 1.905 -3.804
66 HB2 MET 10 HB2 MET 10 -3.318 3.037 -4.270
67 HB3 MET 10 HB3 MET 10 -2.334 4.296 -5.037
68 HG2 MET 10 HG3 MET 10 -1.324 2.592 -6.509
69 HG3 MET 10 HG2 MET 10 -2.325 1.346 -5.738
70 HE1 MET 10 HE1 MET 10 -5.937 2.313 -6.838
71 HE2 MET 10 HE2 MET 10 -5.107 2.725 -5.318
72 HE3 MET 10 HE3 MET 10 -4.910 1.104 -6.028
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 12.652 0.765 -0.335
2 H2 GLY 1 H2 GLY 1 13.415 0.855 1.124
3 H3 GLY 1 H3 GLY 1 12.754 -0.571 0.626
4 HA2 GLY 1 HA3 GLY 1 11.283 1.877 1.226
5 HA3 GLY 1 HA2 GLY 1 10.578 0.338 0.694
6 H ASN 2 H ASN 2 10.027 1.820 3.131
7 HA ASN 2 HA ASN 2 11.197 0.025 5.198
8 HB2 ASN 2 HB3 ASN 2 11.073 2.674 5.293
9 HB3 ASN 2 HB2 ASN 2 9.420 2.352 5.852
10 HD21 ASN 2 HD21 ASN 2 9.094 1.928 7.954
11 HD22 ASN 2 HD22 ASN 2 10.350 1.535 9.107
12 H HIS 3 H HIS 3 8.203 0.950 3.614
13 HA HIS 3 HA HIS 3 6.849 -1.263 5.085
14 HB2 HIS 3 HB2 HIS 3 5.837 1.544 4.611
15 HB3 HIS 3 HB3 HIS 3 4.744 0.188 4.941
16 HD2 HIS 3 HD2 HIS 3 6.257 -1.227 7.422
17 HE1 HIS 3 HE1 HIS 3 6.224 2.626 9.199
18 HE2 HIS 3 HE2 HIS 3 6.496 0.133 9.655
19 H TRP 4 H TRP 4 6.257 -2.755 3.685
20 HA TRP 4 HA TRP 4 6.212 -2.330 0.856
21 HB2 TRP 4 HB3 TRP 4 6.019 -4.525 2.657
22 HB3 TRP 4 HB2 TRP 4 4.598 -4.589 1.599
23 HD1 TRP 4 HD1 TRP 4 7.771 -6.150 1.679
24 HE1 TRP 4 HE1 TRP 4 8.737 -6.676 -0.657
25 HE3 TRP 4 HE3 TRP 4 4.794 -3.057 -1.096
26 HZ2 TRP 4 HZ2 TRP 4 8.275 -5.862 -3.309
27 HZ3 TRP 4 HZ3 TRP 4 5.118 -2.983 -3.536
28 HH2 TRP 4 HH2 TRP 4 6.832 -4.372 -4.627
29 H ALA 5 H ALA 5 3.468 -3.238 2.986
30 HA ALA 5 HA ALA 5 1.768 -1.296 1.548
31 HB1 ALA 5 HB1 ALA 5 0.034 -2.986 1.086
32 HB2 ALA 5 HB2 ALA 5 1.548 -3.333 0.216
33 HB3 ALA 5 HB3 ALA 5 1.128 -4.260 1.676
34 H VAL 6 H VAL 6 1.306 -0.104 3.310
35 HA VAL 6 HA VAL 6 0.839 -1.173 5.917
36 HB VAL 6 HB VAL 6 -0.123 1.458 4.740
37 HG11 VAL 6 HG11 VAL 6 -1.298 0.814 6.808
38 HG12 VAL 6 HG12 VAL 6 0.267 0.615 7.630
39 HG13 VAL 6 HG13 VAL 6 -0.240 2.223 7.060
40 HG21 VAL 6 HG21 VAL 6 2.314 1.157 4.557
41 HG22 VAL 6 HG22 VAL 6 2.399 0.817 6.302
42 HG23 VAL 6 HG23 VAL 6 1.891 2.425 5.732
43 H GLY 7 H GLY 7 -1.243 -0.666 3.135
44 HA2 GLY 7 HA2 GLY 7 -3.237 -2.425 4.055
45 HA3 GLY 7 HA3 GLY 7 -3.740 -0.790 4.526
46 H HIS 8 H HIS 8 -4.497 0.626 3.003
47 HA HIS 8 HA HIS 8 -5.215 -0.597 0.423
48 HB2 HIS 8 HB3 HIS 8 -6.790 0.765 1.912
49 HB3 HIS 8 HB2 HIS 8 -5.881 2.191 1.383
50 HD2 HIS 8 HD2 HIS 8 -6.278 -0.223 -1.526
51 HE1 HIS 8 HE1 HIS 8 -9.462 2.564 -1.832
52 HE2 HIS 8 HE2 HIS 8 -8.203 0.708 -3.044
53 H LEU 9 H LEU 9 -2.573 -0.417 0.361
54 HA LEU 9 HA LEU 9 -0.826 0.396 -0.900
55 HB2 LEU 9 HB2 LEU 9 -2.831 0.461 -2.577
56 HB3 LEU 9 HB3 LEU 9 -2.715 2.213 -2.375
57 HG LEU 9 HG LEU 9 -0.249 1.949 -3.033
58 HD11 LEU 9 HD11 LEU 9 -0.133 -0.492 -2.720
59 HD12 LEU 9 HD12 LEU 9 -1.307 -0.712 -4.040
60 HD13 LEU 9 HD13 LEU 9 0.297 -0.018 -4.381
61 HD21 LEU 9 HD21 LEU 9 -1.987 2.927 -4.483
62 HD22 LEU 9 HD22 LEU 9 -2.398 1.300 -5.078
63 HD23 LEU 9 HD23 LEU 9 -0.794 1.994 -5.419
64 H MET 10 H MET 10 -1.335 1.621 1.569
65 HA MET 10 HA MET 10 -0.748 3.479 2.797
66 HB2 MET 10 HB3 MET 10 0.826 4.011 0.262
67 HB3 MET 10 HB2 MET 10 0.948 5.021 1.713
68 HG2 MET 10 HG2 MET 10 1.830 3.231 3.005
69 HG3 MET 10 HG3 MET 10 1.444 2.038 1.749
70 HE1 MET 10 HE1 MET 10 4.971 5.006 1.781
71 HE2 MET 10 HE2 MET 10 3.985 4.517 3.180
72 HE3 MET 10 HE3 MET 10 3.289 5.570 1.925
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 10.060 3.701 -1.596
2 H2 GLY 1 H2 GLY 1 11.287 3.778 -0.497
3 H3 GLY 1 H3 GLY 1 10.675 2.314 -0.948
4 HA2 GLY 1 HA2 GLY 1 9.231 4.400 0.490
5 HA3 GLY 1 HA3 GLY 1 8.578 2.820 0.015
6 H ASN 2 H ASN 2 8.280 3.235 2.549
7 HA ASN 2 HA ASN 2 10.601 1.901 3.882
8 HB2 ASN 2 HB2 ASN 2 8.519 3.784 5.039
9 HB3 ASN 2 HB3 ASN 2 9.743 2.921 5.991
10 HD21 ASN 2 HD21 ASN 2 12.065 3.273 5.259
11 HD22 ASN 2 HD22 ASN 2 12.501 4.899 4.784
12 H HIS 3 H HIS 3 7.128 1.951 3.347
13 HA HIS 3 HA HIS 3 6.908 -0.582 4.919
14 HB2 HIS 3 HB2 HIS 3 4.473 -0.067 5.021
15 HB3 HIS 3 HB3 HIS 3 5.493 1.112 5.864
16 HD2 HIS 3 HD2 HIS 3 5.727 3.638 4.529
17 HE1 HIS 3 HE1 HIS 3 2.371 2.955 2.024
18 HE2 HIS 3 HE2 HIS 3 4.006 4.720 2.868
19 H TRP 4 H TRP 4 6.390 -2.402 3.900
20 HA TRP 4 HA TRP 4 6.346 -2.512 1.044
21 HB2 TRP 4 HB2 TRP 4 6.356 -4.350 3.255
22 HB3 TRP 4 HB3 TRP 4 5.118 -4.854 2.091
23 HD1 TRP 4 HD1 TRP 4 8.401 -5.857 2.779
24 HE1 TRP 4 HE1 TRP 4 9.781 -6.523 0.703
25 HE3 TRP 4 HE3 TRP 4 5.517 -3.625 -0.799
26 HZ2 TRP 4 HZ2 TRP 4 9.633 -6.134 -2.078
27 HZ3 TRP 4 HZ3 TRP 4 6.201 -3.817 -3.158
28 HH2 TRP 4 HH2 TRP 4 8.235 -5.055 -3.786
29 H ALA 5 H ALA 5 3.724 -3.322 3.361
30 HA ALA 5 HA ALA 5 1.782 -2.035 1.557
31 HB1 ALA 5 HB1 ALA 5 0.337 -4.030 1.468
32 HB2 ALA 5 HB2 ALA 5 1.904 -4.309 0.673
33 HB3 ALA 5 HB3 ALA 5 1.600 -4.973 2.296
34 H VAL 6 H VAL 6 1.012 -0.615 2.991
35 HA VAL 6 HA VAL 6 0.566 -1.349 5.778
36 HB VAL 6 HB VAL 6 1.250 0.947 5.077
37 HG11 VAL 6 HG11 VAL 6 -0.111 1.084 3.027
38 HG12 VAL 6 HG12 VAL 6 -1.590 1.126 4.017
39 HG13 VAL 6 HG13 VAL 6 -0.416 2.461 4.114
40 HG21 VAL 6 HG21 VAL 6 0.172 0.528 7.252
41 HG22 VAL 6 HG22 VAL 6 -1.423 0.798 6.509
42 HG23 VAL 6 HG23 VAL 6 -0.249 2.132 6.606
43 H GLY 7 H GLY 7 -1.304 -1.259 2.830
44 HA2 GLY 7 HA3 GLY 7 -3.318 -2.663 2.798
45 HA3 GLY 7 HA2 GLY 7 -3.672 -2.100 4.444
46 H HIS 8 H HIS 8 -2.512 0.071 1.940
47 HA HIS 8 HA HIS 8 -5.277 1.156 1.653
48 HB2 HIS 8 HB2 HIS 8 -2.734 2.636 2.342
49 HB3 HIS 8 HB3 HIS 8 -4.115 3.455 1.591
50 HD2 HIS 8 HD2 HIS 8 -2.882 3.517 4.907
51 HE1 HIS 8 HE1 HIS 8 -6.971 2.611 5.581
52 HE2 HIS 8 HE2 HIS 8 -4.821 3.439 6.671
53 H LEU 9 H LEU 9 -3.767 -0.607 -0.083
54 HA LEU 9 HA LEU 9 -3.503 1.220 -2.435
55 HB2 LEU 9 HB2 LEU 9 -1.943 -1.332 -1.974
56 HB3 LEU 9 HB3 LEU 9 -1.759 -0.204 -3.322
57 HG LEU 9 HG LEU 9 -1.157 0.455 -0.427
58 HD11 LEU 9 HD11 LEU 9 0.351 -1.289 -1.301
59 HD12 LEU 9 HD12 LEU 9 0.742 -0.247 -2.689
60 HD13 LEU 9 HD13 LEU 9 1.203 0.252 -1.044
61 HD21 LEU 9 HD21 LEU 9 -1.746 2.392 -1.832
62 HD22 LEU 9 HD22 LEU 9 -0.031 2.419 -1.356
63 HD23 LEU 9 HD23 LEU 9 -0.491 1.919 -3.002
64 H MET 10 H MET 10 -5.838 0.719 -2.599
65 HA MET 10 HA MET 10 -6.330 -2.008 -3.700
66 HB2 MET 10 HB2 MET 10 -8.295 0.122 -2.797
67 HB3 MET 10 HB3 MET 10 -8.718 -1.497 -3.382
68 HG2 MET 10 HG3 MET 10 -7.376 -2.437 -1.464
69 HG3 MET 10 HG2 MET 10 -7.215 -0.779 -0.853
70 HE1 MET 10 HE1 MET 10 -10.928 -3.465 -0.711
71 HE2 MET 10 HE2 MET 10 -10.020 -3.253 -2.227
72 HE3 MET 10 HE3 MET 10 -9.222 -3.966 -0.805
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 9.336 -0.446 11.530
2 H2 GLY 1 H2 GLY 1 8.550 -1.452 10.487
3 H3 GLY 1 H3 GLY 1 8.827 0.118 10.066
4 HA2 GLY 1 HA3 GLY 1 11.260 -0.457 10.408
5 HA3 GLY 1 HA2 GLY 1 10.659 -2.113 10.199
6 H ASN 2 H ASN 2 8.814 -2.008 8.291
7 HA ASN 2 HA ASN 2 10.192 -0.699 5.983
8 HB2 ASN 2 HB2 ASN 2 9.192 -2.769 4.713
9 HB3 ASN 2 HB3 ASN 2 10.732 -2.910 5.582
10 HD21 ASN 2 HD21 ASN 2 10.887 -4.819 6.567
11 HD22 ASN 2 HD22 ASN 2 9.595 -5.639 7.415
12 H HIS 3 H HIS 3 8.796 -0.396 4.077
13 HA HIS 3 HA HIS 3 5.948 0.037 4.884
14 HB2 HIS 3 HB2 HIS 3 6.011 1.995 3.285
15 HB3 HIS 3 HB3 HIS 3 6.914 2.201 4.796
16 HD2 HIS 3 HD2 HIS 3 7.501 2.101 0.964
17 HE1 HIS 3 HE1 HIS 3 11.263 2.668 2.836
18 HE2 HIS 3 HE2 HIS 3 10.039 2.658 0.605
19 H TRP 4 H TRP 4 6.010 -2.259 3.926
20 HA TRP 4 HA TRP 4 6.220 -2.428 1.027
21 HB2 TRP 4 HB2 TRP 4 5.880 -4.241 3.273
22 HB3 TRP 4 HB3 TRP 4 4.758 -4.639 1.959
23 HD1 TRP 4 HD1 TRP 4 7.932 -5.783 3.057
24 HE1 TRP 4 HE1 TRP 4 9.465 -6.603 1.149
25 HE3 TRP 4 HE3 TRP 4 5.484 -3.623 -0.875
26 HZ2 TRP 4 HZ2 TRP 4 9.586 -6.350 -1.649
27 HZ3 TRP 4 HZ3 TRP 4 6.371 -3.958 -3.147
28 HH2 TRP 4 HH2 TRP 4 8.397 -5.305 -3.528
29 H ALA 5 H ALA 5 3.450 -3.164 3.184
30 HA ALA 5 HA ALA 5 1.696 -1.593 1.394
31 HB1 ALA 5 HB1 ALA 5 0.091 -3.454 1.177
32 HB2 ALA 5 HB2 ALA 5 1.238 -4.530 2.010
33 HB3 ALA 5 HB3 ALA 5 1.658 -3.838 0.425
34 H VAL 6 H VAL 6 1.321 -0.150 3.041
35 HA VAL 6 HA VAL 6 0.776 -0.739 5.727
36 HB VAL 6 HB VAL 6 1.133 1.542 4.959
37 HG11 VAL 6 HG11 VAL 6 -0.013 1.355 2.786
38 HG12 VAL 6 HG12 VAL 6 -1.583 1.309 3.624
39 HG13 VAL 6 HG13 VAL 6 -0.572 2.771 3.709
40 HG21 VAL 6 HG21 VAL 6 -0.116 1.178 7.052
41 HG22 VAL 6 HG22 VAL 6 -0.632 2.667 6.225
42 HG23 VAL 6 HG23 VAL 6 -1.644 1.205 6.140
43 H GLY 7 H GLY 7 -1.318 -0.972 2.904
44 HA2 GLY 7 HA2 GLY 7 -3.057 -2.837 3.581
45 HA3 GLY 7 HA3 GLY 7 -3.635 -1.554 4.662
46 H HIS 8 H HIS 8 -3.305 0.681 3.027
47 HA HIS 8 HA HIS 8 -5.613 0.326 1.262
48 HB2 HIS 8 HB2 HIS 8 -5.067 2.344 2.786
49 HB3 HIS 8 HB3 HIS 8 -3.946 2.831 1.503
50 HD2 HIS 8 HD2 HIS 8 -5.154 3.715 -0.876
51 HE1 HIS 8 HE1 HIS 8 -9.103 3.740 0.677
52 HE2 HIS 8 HE2 HIS 8 -7.639 4.462 -1.281
53 H LEU 9 H LEU 9 -3.960 -1.314 0.138
54 HA LEU 9 HA LEU 9 -2.829 0.196 -2.182
55 HB2 LEU 9 HB2 LEU 9 -1.124 -0.825 -0.622
56 HB3 LEU 9 HB3 LEU 9 -1.751 -2.412 -1.084
57 HG LEU 9 HG LEU 9 -0.828 -0.525 -3.223
58 HD11 LEU 9 HD11 LEU 9 0.957 -0.482 -1.526
59 HD12 LEU 9 HD12 LEU 9 1.013 -2.261 -1.547
60 HD13 LEU 9 HD13 LEU 9 1.467 -1.338 -3.000
61 HD21 LEU 9 HD21 LEU 9 -1.926 -2.654 -3.806
62 HD22 LEU 9 HD22 LEU 9 -0.229 -2.617 -4.343
63 HD23 LEU 9 HD23 LEU 9 -0.683 -3.540 -2.890
64 H MET 10 H MET 10 -3.521 -0.388 -4.135
65 HA MET 10 HA MET 10 -4.882 -3.027 -4.406
66 HB2 MET 10 HB2 MET 10 -6.378 -0.861 -4.172
67 HB3 MET 10 HB3 MET 10 -5.943 -0.635 -5.875
68 HG2 MET 10 HG3 MET 10 -8.014 -1.795 -5.844
69 HG3 MET 10 HG2 MET 10 -6.773 -2.980 -6.292
70 HE1 MET 10 HE1 MET 10 -9.908 -4.037 -3.583
71 HE2 MET 10 HE2 MET 10 -9.822 -2.400 -4.277
72 HE3 MET 10 HE3 MET 10 -9.682 -3.824 -5.336
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 11.998 3.139 6.971
2 H2 GLY 1 H2 GLY 1 10.998 3.287 5.668
3 H3 GLY 1 H3 GLY 1 10.620 2.237 6.883
4 HA2 GLY 1 HA3 GLY 1 12.551 2.001 4.760
5 HA3 GLY 1 HA2 GLY 1 12.903 1.239 6.324
6 H ASN 2 H ASN 2 10.581 0.273 7.213
7 HA ASN 2 HA ASN 2 9.971 -1.794 5.176
8 HB2 ASN 2 HB2 ASN 2 8.996 -1.814 8.029
9 HB3 ASN 2 HB3 ASN 2 9.301 -3.183 6.943
10 HD21 ASN 2 HD21 ASN 2 10.331 -2.087 9.717
11 HD22 ASN 2 HD22 ASN 2 12.058 -2.338 9.601
12 H HIS 3 H HIS 3 8.658 -0.351 3.884
13 HA HIS 3 HA HIS 3 5.891 -0.178 4.987
14 HB2 HIS 3 HB2 HIS 3 7.159 1.928 3.220
15 HB3 HIS 3 HB3 HIS 3 5.554 1.976 3.969
16 HD2 HIS 3 HD2 HIS 3 6.411 1.292 7.057
17 HE1 HIS 3 HE1 HIS 3 8.992 4.633 6.647
18 HE2 HIS 3 HE2 HIS 3 7.850 3.090 8.318
19 H TRP 4 H TRP 4 5.995 -2.313 3.776
20 HA TRP 4 HA TRP 4 6.068 -2.196 0.877
21 HB2 TRP 4 HB2 TRP 4 5.821 -4.221 2.955
22 HB3 TRP 4 HB3 TRP 4 4.699 -4.523 1.616
23 HD1 TRP 4 HD1 TRP 4 7.936 -5.639 2.587
24 HE1 TRP 4 HE1 TRP 4 9.465 -6.243 0.598
25 HE3 TRP 4 HE3 TRP 4 5.338 -3.268 -1.122
26 HZ2 TRP 4 HZ2 TRP 4 9.528 -5.758 -2.172
27 HZ3 TRP 4 HZ3 TRP 4 6.199 -3.384 -3.426
28 HH2 TRP 4 HH2 TRP 4 8.265 -4.616 -3.942
29 H ALA 5 H ALA 5 3.393 -3.204 3.042
30 HA ALA 5 HA ALA 5 1.545 -1.559 1.405
31 HB1 ALA 5 HB1 ALA 5 1.538 -4.536 1.652
32 HB2 ALA 5 HB2 ALA 5 -0.029 -3.694 1.663
33 HB3 ALA 5 HB3 ALA 5 1.076 -3.498 0.282
34 H VAL 6 H VAL 6 1.241 -0.155 3.102
35 HA VAL 6 HA VAL 6 0.818 -0.824 5.797
36 HB VAL 6 HB VAL 6 1.158 1.476 5.092
37 HG11 VAL 6 HG11 VAL 6 -0.059 1.365 2.954
38 HG12 VAL 6 HG12 VAL 6 -0.575 2.756 3.938
39 HG13 VAL 6 HG13 VAL 6 -1.601 1.304 3.841
40 HG21 VAL 6 HG21 VAL 6 -0.602 2.573 6.426
41 HG22 VAL 6 HG22 VAL 6 -1.563 1.076 6.376
42 HG23 VAL 6 HG23 VAL 6 0.007 1.099 7.215
43 H GLY 7 H GLY 7 -1.404 -0.930 3.060
44 HA2 GLY 7 HA2 GLY 7 -3.121 -2.824 3.829
45 HA3 GLY 7 HA3 GLY 7 -3.676 -1.493 4.863
46 H HIS 8 H HIS 8 -2.766 0.371 2.572
47 HA HIS 8 HA HIS 8 -5.050 -0.169 0.728
48 HB2 HIS 8 HB2 HIS 8 -5.764 1.501 2.369
49 HB3 HIS 8 HB3 HIS 8 -4.341 2.494 2.007
50 HD2 HIS 8 HD2 HIS 8 -4.821 4.395 0.147
51 HE1 HIS 8 HE1 HIS 8 -8.239 2.635 -1.644
52 HE2 HIS 8 HE2 HIS 8 -6.719 4.676 -1.645
53 H LEU 9 H LEU 9 -3.335 -1.014 -0.640
54 HA LEU 9 HA LEU 9 -1.682 1.151 -1.868
55 HB2 LEU 9 HB2 LEU 9 -0.183 -0.572 -2.632
56 HB3 LEU 9 HB3 LEU 9 -0.402 -0.706 -0.883
57 HG LEU 9 HG LEU 9 -2.065 -2.406 -2.711
58 HD11 LEU 9 HD11 LEU 9 0.245 -2.640 -3.537
59 HD12 LEU 9 HD12 LEU 9 -0.325 -4.125 -2.739
60 HD13 LEU 9 HD13 LEU 9 0.790 -3.028 -1.888
61 HD21 LEU 9 HD21 LEU 9 -2.747 -3.002 -0.650
62 HD22 LEU 9 HD22 LEU 9 -1.218 -3.909 -0.568
63 HD23 LEU 9 HD23 LEU 9 -1.322 -2.277 0.132
64 H MET 10 H MET 10 -4.132 -1.277 -2.397
65 HA MET 10 HA MET 10 -4.017 -0.819 -5.333
66 HB2 MET 10 HB2 MET 10 -4.134 -3.149 -4.431
67 HB3 MET 10 HB3 MET 10 -5.728 -2.769 -3.756
68 HG2 MET 10 HG2 MET 10 -6.723 -2.622 -5.861
69 HG3 MET 10 HG3 MET 10 -5.174 -2.372 -6.689
70 HE1 MET 10 HE1 MET 10 -3.861 -5.794 -7.461
71 HE2 MET 10 HE2 MET 10 -4.153 -4.147 -8.069
72 HE3 MET 10 HE3 MET 10 -3.233 -4.391 -6.565
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 8.656 -5.149 6.465
2 H2 GLY 1 H2 GLY 1 8.468 -3.788 7.378
3 H3 GLY 1 H3 GLY 1 7.634 -3.955 5.965
4 HA2 GLY 1 HA2 GLY 1 10.532 -3.743 6.231
5 HA3 GLY 1 HA3 GLY 1 9.641 -3.926 4.707
6 H ASN 2 H ASN 2 10.163 -2.025 3.741
7 HA ASN 2 HA ASN 2 9.676 0.484 5.256
8 HB2 ASN 2 HB2 ASN 2 11.125 -0.166 2.683
9 HB3 ASN 2 HB3 ASN 2 10.706 1.501 3.123
10 HD21 ASN 2 HD21 ASN 2 12.810 -1.208 3.684
11 HD22 ASN 2 HD22 ASN 2 13.852 -0.440 4.861
12 H HIS 3 H HIS 3 7.369 0.270 5.245
13 HA HIS 3 HA HIS 3 5.266 0.723 4.418
14 HB2 HIS 3 HB2 HIS 3 6.932 2.274 2.418
15 HB3 HIS 3 HB3 HIS 3 5.163 2.353 2.492
16 HD2 HIS 3 HD2 HIS 3 8.225 3.980 4.085
17 HE1 HIS 3 HE1 HIS 3 4.891 5.068 6.475
18 HE2 HIS 3 HE2 HIS 3 7.354 5.536 6.012
19 H TRP 4 H TRP 4 6.450 -1.739 3.645
20 HA TRP 4 HA TRP 4 6.200 -2.287 0.864
21 HB2 TRP 4 HB2 TRP 4 6.643 -3.755 3.305
22 HB3 TRP 4 HB3 TRP 4 5.455 -4.614 2.308
23 HD1 TRP 4 HD1 TRP 4 8.872 -5.005 2.894
24 HE1 TRP 4 HE1 TRP 4 10.255 -5.709 0.832
25 HE3 TRP 4 HE3 TRP 4 5.528 -3.705 -0.745
26 HZ2 TRP 4 HZ2 TRP 4 9.934 -5.699 -1.962
27 HZ3 TRP 4 HZ3 TRP 4 6.139 -4.084 -3.099
28 HH2 TRP 4 HH2 TRP 4 8.313 -5.070 -3.699
29 H ALA 5 H ALA 5 3.913 -3.163 3.491
30 HA ALA 5 HA ALA 5 1.659 -2.440 1.741
31 HB1 ALA 5 HB1 ALA 5 0.577 -4.643 1.971
32 HB2 ALA 5 HB2 ALA 5 2.110 -4.747 1.073
33 HB3 ALA 5 HB3 ALA 5 2.037 -5.270 2.772
34 H VAL 6 H VAL 6 0.705 -1.044 3.072
35 HA VAL 6 HA VAL 6 0.395 -1.793 5.931
36 HB VAL 6 HB VAL 6 1.328 0.459 5.346
37 HG11 VAL 6 HG11 VAL 6 0.030 2.136 4.323
38 HG12 VAL 6 HG12 VAL 6 -0.243 0.688 3.325
39 HG13 VAL 6 HG13 VAL 6 -1.475 1.203 4.501
40 HG21 VAL 6 HG21 VAL 6 0.227 0.018 7.504
41 HG22 VAL 6 HG22 VAL 6 -0.032 1.693 6.961
42 HG23 VAL 6 HG23 VAL 6 -1.337 0.493 6.798
43 H GLY 7 H GLY 7 -1.400 -1.245 2.968
44 HA2 GLY 7 HA3 GLY 7 -3.564 -2.670 3.169
45 HA3 GLY 7 HA2 GLY 7 -3.940 -1.548 4.490
46 H HIS 8 H HIS 8 -2.466 0.590 2.834
47 HA HIS 8 HA HIS 8 -4.879 1.357 1.290
48 HB2 HIS 8 HB2 HIS 8 -2.460 2.879 2.274
49 HB3 HIS 8 HB3 HIS 8 -3.626 3.579 1.139
50 HD2 HIS 8 HD2 HIS 8 -6.427 2.824 2.503
51 HE1 HIS 8 HE1 HIS 8 -4.798 4.465 6.061
52 HE2 HIS 8 HE2 HIS 8 -6.956 3.777 4.892
53 H LEU 9 H LEU 9 -3.586 -0.693 0.067
54 HA LEU 9 HA LEU 9 -2.272 0.683 -2.238
55 HB2 LEU 9 HB2 LEU 9 -1.512 -1.794 -0.745
56 HB3 LEU 9 HB3 LEU 9 -1.226 -1.748 -2.489
57 HG LEU 9 HG LEU 9 0.777 -1.139 -1.257
58 HD11 LEU 9 HD11 LEU 9 0.355 -0.081 -3.442
59 HD12 LEU 9 HD12 LEU 9 -0.461 1.273 -2.623
60 HD13 LEU 9 HD13 LEU 9 1.276 0.988 -2.356
61 HD21 LEU 9 HD21 LEU 9 0.900 0.420 0.409
62 HD22 LEU 9 HD22 LEU 9 -0.401 1.421 -0.279
63 HD23 LEU 9 HD23 LEU 9 -0.800 -0.063 0.619
64 H MET 10 H MET 10 -2.468 -0.490 -4.295
65 HA MET 10 HA MET 10 -5.132 -1.831 -4.446
66 HB2 MET 10 HB3 MET 10 -4.874 0.319 -5.677
67 HB3 MET 10 HB2 MET 10 -3.570 -0.415 -6.627
68 HG2 MET 10 HG3 MET 10 -4.998 -1.747 -7.837
69 HG3 MET 10 HG2 MET 10 -6.217 -1.798 -6.549
70 HE1 MET 10 HE1 MET 10 -8.821 0.413 -7.914
71 HE2 MET 10 HE2 MET 10 -8.341 -1.300 -7.864
72 HE3 MET 10 HE3 MET 10 -8.237 -0.304 -6.393
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 11.551 1.016 0.770
2 H2 GLY 1 H2 GLY 1 10.193 0.117 1.031
3 H3 GLY 1 H3 GLY 1 10.822 1.032 2.250
4 HA2 GLY 1 HA3 GLY 1 12.118 -1.261 0.991
5 HA3 GLY 1 HA2 GLY 1 12.787 -0.274 2.305
6 H ASN 2 H ASN 2 11.097 0.004 4.194
7 HA ASN 2 HA ASN 2 10.518 -2.749 5.061
8 HB2 ASN 2 HB3 ASN 2 10.177 -0.136 6.571
9 HB3 ASN 2 HB2 ASN 2 10.153 -1.775 7.251
10 HD21 ASN 2 HD21 ASN 2 11.873 0.254 8.183
11 HD22 ASN 2 HD22 ASN 2 13.520 -0.202 7.808
12 H HIS 3 H HIS 3 8.766 0.344 4.666
13 HA HIS 3 HA HIS 3 6.197 -0.859 5.288
14 HB2 HIS 3 HB2 HIS 3 7.039 1.797 4.118
15 HB3 HIS 3 HB3 HIS 3 5.338 1.347 4.322
16 HD2 HIS 3 HD2 HIS 3 6.559 -0.117 7.375
17 HE1 HIS 3 HE1 HIS 3 6.393 4.007 8.353
18 HE2 HIS 3 HE2 HIS 3 6.569 1.653 9.312
19 H TRP 4 H TRP 4 6.163 -2.660 3.847
20 HA TRP 4 HA TRP 4 6.271 -2.294 0.984
21 HB2 TRP 4 HB3 TRP 4 5.854 -4.485 2.881
22 HB3 TRP 4 HB2 TRP 4 4.819 -4.619 1.448
23 HD1 TRP 4 HD1 TRP 4 7.985 -5.886 2.522
24 HE1 TRP 4 HE1 TRP 4 9.601 -6.384 0.572
25 HE3 TRP 4 HE3 TRP 4 5.612 -3.221 -1.136
26 HZ2 TRP 4 HZ2 TRP 4 9.807 -5.718 -2.153
27 HZ3 TRP 4 HZ3 TRP 4 6.583 -3.198 -3.398
28 HH2 TRP 4 HH2 TRP 4 8.651 -4.432 -3.898
29 H ALA 5 H ALA 5 3.500 -3.405 2.970
30 HA ALA 5 HA ALA 5 1.755 -1.672 1.281
31 HB1 ALA 5 HB1 ALA 5 0.054 -3.458 1.285
32 HB2 ALA 5 HB2 ALA 5 1.558 -3.975 0.485
33 HB3 ALA 5 HB3 ALA 5 1.192 -4.530 2.136
34 H VAL 6 H VAL 6 1.568 -0.099 2.848
35 HA VAL 6 HA VAL 6 1.120 -0.486 5.591
36 HB VAL 6 HB VAL 6 1.597 1.714 4.674
37 HG11 VAL 6 HG11 VAL 6 0.280 2.872 3.172
38 HG12 VAL 6 HG12 VAL 6 0.036 1.197 2.620
39 HG13 VAL 6 HG13 VAL 6 -1.200 1.992 3.624
40 HG21 VAL 6 HG21 VAL 6 0.407 1.568 6.828
41 HG22 VAL 6 HG22 VAL 6 -1.149 1.648 5.967
42 HG23 VAL 6 HG23 VAL 6 -0.037 3.037 5.926
43 H GLY 7 H GLY 7 -1.159 -0.609 2.886
44 HA2 GLY 7 HA2 GLY 7 -2.982 -2.293 4.165
45 HA3 GLY 7 HA3 GLY 7 -3.522 -0.642 4.531
46 H HIS 8 H HIS 8 -4.713 0.428 3.070
47 HA HIS 8 HA HIS 8 -5.092 -0.912 0.430
48 HB2 HIS 8 HB2 HIS 8 -7.268 0.191 0.354
49 HB3 HIS 8 HB3 HIS 8 -7.108 -0.794 1.819
50 HD2 HIS 8 HD2 HIS 8 -7.458 2.951 0.758
51 HE1 HIS 8 HE1 HIS 8 -7.643 2.734 4.991
52 HE2 HIS 8 HE2 HIS 8 -7.924 4.272 2.978
53 H LEU 9 H LEU 9 -2.927 0.978 1.154
54 HA LEU 9 HA LEU 9 -3.629 3.459 -0.254
55 HB2 LEU 9 HB2 LEU 9 -2.054 3.218 1.754
56 HB3 LEU 9 HB3 LEU 9 -0.871 2.577 0.608
57 HG LEU 9 HG LEU 9 -1.129 4.741 -0.686
58 HD11 LEU 9 HD11 LEU 9 -3.290 5.423 0.285
59 HD12 LEU 9 HD12 LEU 9 -2.041 6.670 0.512
60 HD13 LEU 9 HD13 LEU 9 -2.509 5.622 1.872
61 HD21 LEU 9 HD21 LEU 9 0.787 4.256 0.788
62 HD22 LEU 9 HD22 LEU 9 -0.110 4.935 2.168
63 HD23 LEU 9 HD23 LEU 9 0.358 5.984 0.808
64 H MET 10 H MET 10 -3.630 3.622 -2.378
65 HA MET 10 HA MET 10 -2.569 1.605 -4.111
66 HB2 MET 10 HB2 MET 10 -4.434 3.340 -4.534
67 HB3 MET 10 HB3 MET 10 -3.119 4.456 -4.945
68 HG2 MET 10 HG3 MET 10 -3.205 1.759 -6.256
69 HG3 MET 10 HG2 MET 10 -4.338 3.015 -6.791
70 HE1 MET 10 HE1 MET 10 -1.931 3.491 -9.712
71 HE2 MET 10 HE2 MET 10 -3.621 3.520 -9.155
72 HE3 MET 10 HE3 MET 10 -2.672 2.018 -9.042
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 9.823 4.649 1.172
2 H2 GLY 1 H2 GLY 1 10.752 3.347 0.769
3 H3 GLY 1 H3 GLY 1 9.107 3.220 0.767
4 HA2 GLY 1 HA3 GLY 1 10.784 3.704 3.107
5 HA3 GLY 1 HA2 GLY 1 9.015 3.571 3.102
6 H ASN 2 H ASN 2 9.999 1.921 4.792
7 HA ASN 2 HA ASN 2 10.797 -0.619 3.552
8 HB2 ASN 2 HB3 ASN 2 10.896 -1.451 5.857
9 HB3 ASN 2 HB2 ASN 2 11.785 0.075 5.687
10 HD21 ASN 2 HD21 ASN 2 10.956 1.994 6.611
11 HD22 ASN 2 HD22 ASN 2 9.725 1.948 7.853
12 H HIS 3 H HIS 3 7.935 0.852 5.006
13 HA HIS 3 HA HIS 3 6.400 -1.578 5.172
14 HB2 HIS 3 HB3 HIS 3 5.625 1.349 5.094
15 HB3 HIS 3 HB2 HIS 3 4.445 0.037 5.259
16 HD2 HIS 3 HD2 HIS 3 6.329 -1.719 7.447
17 HE1 HIS 3 HE1 HIS 3 5.728 1.736 9.836
18 HE2 HIS 3 HE2 HIS 3 6.406 -0.721 9.873
19 H TRP 4 H TRP 4 6.128 -2.785 3.401
20 HA TRP 4 HA TRP 4 5.972 -1.786 0.739
21 HB2 TRP 4 HB3 TRP 4 5.606 -4.359 2.115
22 HB3 TRP 4 HB2 TRP 4 4.585 -4.172 0.677
23 HD1 TRP 4 HD1 TRP 4 7.854 -5.479 1.544
24 HE1 TRP 4 HE1 TRP 4 9.454 -5.559 -0.477
25 HE3 TRP 4 HE3 TRP 4 5.256 -2.408 -1.609
26 HZ2 TRP 4 HZ2 TRP 4 9.569 -4.446 -3.058
27 HZ3 TRP 4 HZ3 TRP 4 6.181 -1.959 -3.846
28 HH2 TRP 4 HH2 TRP 4 8.306 -2.969 -4.562
29 H ALA 5 H ALA 5 3.299 -3.378 2.517
30 HA ALA 5 HA ALA 5 1.458 -1.397 1.249
31 HB1 ALA 5 HB1 ALA 5 -0.236 -3.185 1.134
32 HB2 ALA 5 HB2 ALA 5 0.955 -4.345 1.770
33 HB3 ALA 5 HB3 ALA 5 1.215 -3.582 0.182
34 H VAL 6 H VAL 6 1.402 -0.039 3.024
35 HA VAL 6 HA VAL 6 1.124 -0.762 5.714
36 HB VAL 6 HB VAL 6 1.518 1.540 5.044
37 HG11 VAL 6 HG11 VAL 6 0.092 2.848 3.785
38 HG12 VAL 6 HG12 VAL 6 -0.175 1.249 3.051
39 HG13 VAL 6 HG13 VAL 6 -1.346 1.896 4.224
40 HG21 VAL 6 HG21 VAL 6 -0.084 2.676 6.534
41 HG22 VAL 6 HG22 VAL 6 -1.116 1.226 6.520
42 HG23 VAL 6 HG23 VAL 6 0.512 1.154 7.238
43 H GLY 7 H GLY 7 -1.333 -0.589 3.172
44 HA2 GLY 7 HA3 GLY 7 -3.058 -2.455 4.309
45 HA3 GLY 7 HA2 GLY 7 -3.561 -0.894 4.985
46 H HIS 8 H HIS 8 -2.838 0.641 2.617
47 HA HIS 8 HA HIS 8 -5.269 0.037 1.056
48 HB2 HIS 8 HB3 HIS 8 -4.584 2.359 1.915
49 HB3 HIS 8 HB2 HIS 8 -3.361 2.340 0.633
50 HD2 HIS 8 HD2 HIS 8 -7.112 1.172 0.172
51 HE1 HIS 8 HE1 HIS 8 -6.327 4.464 -2.388
52 HE2 HIS 8 HE2 HIS 8 -8.061 2.716 -1.727
53 H LEU 9 H LEU 9 -3.616 -1.983 0.588
54 HA LEU 9 HA LEU 9 -1.641 -1.706 -1.400
55 HB2 LEU 9 HB3 LEU 9 -2.159 -4.072 -1.964
56 HB3 LEU 9 HB2 LEU 9 -1.905 -3.770 -0.241
57 HG LEU 9 HG LEU 9 -4.562 -3.571 -0.265
58 HD11 LEU 9 HD11 LEU 9 -4.740 -3.926 -2.696
59 HD12 LEU 9 HD12 LEU 9 -5.549 -5.218 -1.778
60 HD13 LEU 9 HD13 LEU 9 -3.957 -5.515 -2.516
61 HD21 LEU 9 HD21 LEU 9 -3.194 -5.094 1.108
62 HD22 LEU 9 HD22 LEU 9 -4.639 -5.906 0.461
63 HD23 LEU 9 HD23 LEU 9 -3.047 -6.203 -0.277
64 H MET 10 H MET 10 -1.644 -1.991 -3.651
65 HA MET 10 HA MET 10 -3.695 -0.589 -5.034
66 HB2 MET 10 HB3 MET 10 -1.688 -2.548 -6.196
67 HB3 MET 10 HB2 MET 10 -2.562 -1.276 -7.068
68 HG2 MET 10 HG2 MET 10 -1.342 0.443 -6.038
69 HG3 MET 10 HG3 MET 10 -0.741 -0.625 -4.755
70 HE1 MET 10 HE1 MET 10 2.487 0.427 -6.805
71 HE2 MET 10 HE2 MET 10 1.695 0.445 -5.211
72 HE3 MET 10 HE3 MET 10 1.036 1.424 -6.544
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 9.324 5.752 8.738
2 H2 GLY 1 H2 GLY 1 10.018 5.946 7.254
3 H3 GLY 1 H3 GLY 1 8.376 5.930 7.400
4 HA2 GLY 1 HA3 GLY 1 10.163 3.691 7.961
5 HA3 GLY 1 HA2 GLY 1 8.395 3.679 8.112
6 H ASN 2 H ASN 2 9.916 1.898 6.500
7 HA ASN 2 HA ASN 2 8.937 2.734 3.802
8 HB2 ASN 2 HB2 ASN 2 10.814 1.275 2.904
9 HB3 ASN 2 HB3 ASN 2 11.301 2.817 3.635
10 HD21 ASN 2 HD21 ASN 2 11.775 -0.548 3.582
11 HD22 ASN 2 HD22 ASN 2 12.744 -0.694 5.031
12 H HIS 3 H HIS 3 7.009 1.603 4.902
13 HA HIS 3 HA HIS 3 7.178 -1.313 5.013
14 HB2 HIS 3 HB3 HIS 3 4.975 0.716 5.356
15 HB3 HIS 3 HB2 HIS 3 4.606 -1.009 5.200
16 HD2 HIS 3 HD2 HIS 3 7.455 -1.684 7.114
17 HE1 HIS 3 HE1 HIS 3 4.903 -0.053 10.086
18 HE2 HIS 3 HE2 HIS 3 7.012 -1.428 9.690
19 H TRP 4 H TRP 4 6.189 -2.786 3.637
20 HA TRP 4 HA TRP 4 6.234 -2.051 0.848
21 HB2 TRP 4 HB2 TRP 4 5.965 -4.479 2.451
22 HB3 TRP 4 HB3 TRP 4 4.911 -4.500 1.026
23 HD1 TRP 4 HD1 TRP 4 8.162 -5.699 1.914
24 HE1 TRP 4 HE1 TRP 4 9.777 -5.862 -0.092
25 HE3 TRP 4 HE3 TRP 4 5.593 -2.754 -1.380
26 HZ2 TRP 4 HZ2 TRP 4 9.910 -4.859 -2.715
27 HZ3 TRP 4 HZ3 TRP 4 6.531 -2.400 -3.626
28 HH2 TRP 4 HH2 TRP 4 8.661 -3.440 -4.286
29 H ALA 5 H ALA 5 3.549 -3.544 2.697
30 HA ALA 5 HA ALA 5 1.694 -1.717 1.239
31 HB1 ALA 5 HB1 ALA 5 0.088 -3.578 1.044
32 HB2 ALA 5 HB2 ALA 5 1.290 -4.681 1.755
33 HB3 ALA 5 HB3 ALA 5 1.606 -3.918 0.178
34 H VAL 6 H VAL 6 1.423 -0.349 2.971
35 HA VAL 6 HA VAL 6 1.031 -1.088 5.657
36 HB VAL 6 HB VAL 6 -0.208 1.255 4.173
37 HG11 VAL 6 HG11 VAL 6 -1.294 0.798 6.337
38 HG12 VAL 6 HG12 VAL 6 0.294 0.856 7.140
39 HG13 VAL 6 HG13 VAL 6 -0.368 2.318 6.371
40 HG21 VAL 6 HG21 VAL 6 2.245 1.156 3.973
41 HG22 VAL 6 HG22 VAL 6 2.381 1.067 5.745
42 HG23 VAL 6 HG23 VAL 6 1.719 2.529 4.976
43 H GLY 7 H GLY 7 -1.606 -0.011 3.469
44 HA2 GLY 7 HA2 GLY 7 -3.278 -2.240 3.849
45 HA3 GLY 7 HA3 GLY 7 -3.644 -1.101 5.159
46 H HIS 8 H HIS 8 -2.629 -0.236 1.876
47 HA HIS 8 HA HIS 8 -5.403 0.727 1.342
48 HB2 HIS 8 HB3 HIS 8 -3.629 2.507 2.100
49 HB3 HIS 8 HB2 HIS 8 -3.011 2.315 0.451
50 HD2 HIS 8 HD2 HIS 8 -4.625 3.352 -1.581
51 HE1 HIS 8 HE1 HIS 8 -7.460 5.145 1.014
52 HE2 HIS 8 HE2 HIS 8 -6.672 4.983 -1.401
53 H LEU 9 H LEU 9 -3.939 -1.671 0.481
54 HA LEU 9 HA LEU 9 -3.150 -1.215 -2.287
55 HB2 LEU 9 HB2 LEU 9 -2.108 -2.984 -1.023
56 HB3 LEU 9 HB3 LEU 9 -3.672 -3.734 -0.686
57 HG LEU 9 HG LEU 9 -3.841 -3.976 -3.271
58 HD11 LEU 9 HD11 LEU 9 -1.903 -2.541 -3.781
59 HD12 LEU 9 HD12 LEU 9 -0.839 -3.683 -2.926
60 HD13 LEU 9 HD13 LEU 9 -1.685 -4.193 -4.407
61 HD21 LEU 9 HD21 LEU 9 -3.612 -5.836 -1.670
62 HD22 LEU 9 HD22 LEU 9 -2.691 -6.132 -3.165
63 HD23 LEU 9 HD23 LEU 9 -1.845 -5.623 -1.684
64 H MET 10 H MET 10 -4.274 -1.564 -4.131
65 HA MET 10 HA MET 10 -7.088 -1.287 -4.109
66 HB2 MET 10 HB3 MET 10 -7.008 -1.636 -6.467
67 HB3 MET 10 HB2 MET 10 -5.530 -0.771 -6.012
68 HG2 MET 10 HG2 MET 10 -4.376 -3.035 -5.959
69 HG3 MET 10 HG3 MET 10 -5.827 -3.689 -6.743
70 HE1 MET 10 HE1 MET 10 -2.348 -2.570 -9.011
71 HE2 MET 10 HE2 MET 10 -2.852 -3.901 -7.942
72 HE3 MET 10 HE3 MET 10 -2.395 -2.327 -7.249
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 11.510 2.653 -1.565
2 H2 GLY 1 H2 GLY 1 12.262 3.089 -0.163
3 H3 GLY 1 H3 GLY 1 12.014 1.495 -0.505
4 HA2 GLY 1 HA2 GLY 1 9.899 3.459 -0.095
5 HA3 GLY 1 HA3 GLY 1 9.694 1.712 -0.332
6 H ASN 2 H ASN 2 8.547 2.860 1.837
7 HA ASN 2 HA ASN 2 10.400 2.275 4.098
8 HB2 ASN 2 HB2 ASN 2 7.759 3.770 3.992
9 HB3 ASN 2 HB3 ASN 2 8.647 3.414 5.487
10 HD21 ASN 2 HD21 ASN 2 9.214 5.448 6.124
11 HD22 ASN 2 HD22 ASN 2 10.222 6.523 5.182
12 H HIS 3 H HIS 3 6.857 2.011 3.641
13 HA HIS 3 HA HIS 3 6.944 -0.570 5.094
14 HB2 HIS 3 HB3 HIS 3 4.528 1.007 4.158
15 HB3 HIS 3 HB2 HIS 3 4.555 -0.340 5.310
16 HD2 HIS 3 HD2 HIS 3 5.117 0.325 7.919
17 HE1 HIS 3 HE1 HIS 3 5.792 4.458 7.242
18 HE2 HIS 3 HE2 HIS 3 5.519 2.667 9.033
19 H TRP 4 H TRP 4 6.422 -2.503 4.234
20 HA TRP 4 HA TRP 4 6.653 -2.848 1.405
21 HB2 TRP 4 HB2 TRP 4 6.356 -4.517 3.770
22 HB3 TRP 4 HB3 TRP 4 5.409 -5.148 2.411
23 HD1 TRP 4 HD1 TRP 4 8.551 -5.870 3.833
24 HE1 TRP 4 HE1 TRP 4 10.345 -6.597 2.125
25 HE3 TRP 4 HE3 TRP 4 6.301 -4.150 -0.421
26 HZ2 TRP 4 HZ2 TRP 4 10.723 -6.444 -0.656
27 HZ3 TRP 4 HZ3 TRP 4 7.444 -4.478 -2.577
28 HH2 TRP 4 HH2 TRP 4 9.625 -5.611 -2.692
29 H ALA 5 H ALA 5 3.834 -3.400 3.561
30 HA ALA 5 HA ALA 5 2.081 -2.496 1.348
31 HB1 ALA 5 HB1 ALA 5 0.570 -4.415 1.679
32 HB2 ALA 5 HB2 ALA 5 2.179 -4.927 1.116
33 HB3 ALA 5 HB3 ALA 5 1.732 -5.123 2.828
34 H VAL 6 H VAL 6 1.589 -0.639 2.467
35 HA VAL 6 HA VAL 6 0.966 -0.415 5.192
36 HB VAL 6 HB VAL 6 -0.273 1.137 2.894
37 HG11 VAL 6 HG11 VAL 6 -1.492 1.392 5.021
38 HG12 VAL 6 HG12 VAL 6 0.024 1.862 5.827
39 HG13 VAL 6 HG13 VAL 6 -0.662 2.895 4.550
40 HG21 VAL 6 HG21 VAL 6 2.190 1.173 2.867
41 HG22 VAL 6 HG22 VAL 6 2.195 1.732 4.557
42 HG23 VAL 6 HG23 VAL 6 1.509 2.765 3.280
43 H GLY 7 H GLY 7 -1.419 -0.639 2.510
44 HA2 GLY 7 HA2 GLY 7 -3.026 -2.646 3.362
45 HA3 GLY 7 HA3 GLY 7 -3.505 -1.334 4.456
46 H HIS 8 H HIS 8 -4.071 0.775 3.349
47 HA HIS 8 HA HIS 8 -5.698 0.125 0.931
48 HB2 HIS 8 HB2 HIS 8 -6.747 0.950 3.164
49 HB3 HIS 8 HB3 HIS 8 -6.115 2.538 2.694
50 HD2 HIS 8 HD2 HIS 8 -7.937 3.951 1.303
51 HE1 HIS 8 HE1 HIS 8 -10.100 0.701 -0.359
52 HE2 HIS 8 HE2 HIS 8 -9.970 3.242 -0.200
53 H LEU 9 H LEU 9 -3.425 0.431 -0.069
54 HA LEU 9 HA LEU 9 -2.225 2.977 -0.281
55 HB2 LEU 9 HB3 LEU 9 -2.367 0.632 -2.183
56 HB3 LEU 9 HB2 LEU 9 -1.458 2.100 -2.558
57 HG LEU 9 HG LEU 9 -0.936 0.532 -0.039
58 HD11 LEU 9 HD11 LEU 9 -0.724 -1.009 -1.951
59 HD12 LEU 9 HD12 LEU 9 0.380 0.138 -2.746
60 HD13 LEU 9 HD13 LEU 9 0.857 -0.643 -1.219
61 HD21 LEU 9 HD21 LEU 9 -0.048 2.827 -0.200
62 HD22 LEU 9 HD22 LEU 9 1.254 1.615 -0.189
63 HD23 LEU 9 HD23 LEU 9 0.779 2.395 -1.716
64 H MET 10 H MET 10 -2.843 4.829 -1.138
65 HA MET 10 HA MET 10 -5.374 5.078 -2.497
66 HB2 MET 10 HB2 MET 10 -4.090 6.797 -1.040
67 HB3 MET 10 HB3 MET 10 -3.203 7.176 -2.527
68 HG2 MET 10 HG2 MET 10 -4.985 8.743 -2.337
69 HG3 MET 10 HG3 MET 10 -5.418 7.615 -3.636
70 HE1 MET 10 HE1 MET 10 -8.443 8.951 -0.990
71 HE2 MET 10 HE2 MET 10 -7.610 9.481 -2.470
72 HE3 MET 10 HE3 MET 10 -6.787 9.595 -0.896
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 12.636 -0.171 0.632
2 H2 GLY 1 H2 GLY 1 12.494 -1.383 1.741
3 H3 GLY 1 H3 GLY 1 13.089 0.086 2.196
4 HA2 GLY 1 HA2 GLY 1 11.023 1.136 1.746
5 HA3 GLY 1 HA3 GLY 1 10.378 -0.441 1.251
6 H ASN 2 H ASN 2 10.639 1.753 3.755
7 HA ASN 2 HA ASN 2 10.927 0.102 6.045
8 HB2 ASN 2 HB3 ASN 2 9.837 1.916 7.271
9 HB3 ASN 2 HB2 ASN 2 11.012 2.561 6.108
10 HD21 ASN 2 HD21 ASN 2 7.998 3.023 7.373
11 HD22 ASN 2 HD22 ASN 2 7.247 3.887 6.050
12 H HIS 3 H HIS 3 8.222 0.652 3.887
13 HA HIS 3 HA HIS 3 6.752 -1.511 5.248
14 HB2 HIS 3 HB2 HIS 3 5.801 1.338 5.064
15 HB3 HIS 3 HB3 HIS 3 4.634 0.006 5.032
16 HD2 HIS 3 HD2 HIS 3 5.327 -1.847 7.408
17 HE1 HIS 3 HE1 HIS 3 6.000 1.612 9.771
18 HE2 HIS 3 HE2 HIS 3 5.572 -0.901 9.845
19 H TRP 4 H TRP 4 6.160 -2.882 3.730
20 HA TRP 4 HA TRP 4 6.233 -2.201 0.933
21 HB2 TRP 4 HB2 TRP 4 5.780 -4.580 2.584
22 HB3 TRP 4 HB3 TRP 4 4.780 -4.558 1.120
23 HD1 TRP 4 HD1 TRP 4 7.935 -5.913 2.161
24 HE1 TRP 4 HE1 TRP 4 9.602 -6.224 0.213
25 HE3 TRP 4 HE3 TRP 4 5.628 -2.942 -1.298
26 HZ2 TRP 4 HZ2 TRP 4 9.868 -5.310 -2.433
27 HZ3 TRP 4 HZ3 TRP 4 6.652 -2.706 -3.525
28 HH2 TRP 4 HH2 TRP 4 8.745 -3.876 -4.084
29 H ALA 5 H ALA 5 3.460 -3.512 2.789
30 HA ALA 5 HA ALA 5 1.716 -1.649 1.237
31 HB1 ALA 5 HB1 ALA 5 -0.015 -3.406 1.235
32 HB2 ALA 5 HB2 ALA 5 1.122 -4.517 2.035
33 HB3 ALA 5 HB3 ALA 5 1.462 -3.928 0.390
34 H VAL 6 H VAL 6 1.606 -0.113 2.854
35 HA VAL 6 HA VAL 6 1.206 -0.560 5.592
36 HB VAL 6 HB VAL 6 0.074 1.697 3.905
37 HG11 VAL 6 HG11 VAL 6 -0.991 1.519 6.121
38 HG12 VAL 6 HG12 VAL 6 0.021 2.977 5.988
39 HG13 VAL 6 HG13 VAL 6 0.614 1.561 6.890
40 HG21 VAL 6 HG21 VAL 6 2.512 1.431 3.679
41 HG22 VAL 6 HG22 VAL 6 2.086 2.925 4.548
42 HG23 VAL 6 HG23 VAL 6 2.679 1.509 5.449
43 H GLY 7 H GLY 7 -1.172 -0.455 2.953
44 HA2 GLY 7 HA2 GLY 7 -2.995 -2.147 4.324
45 HA3 GLY 7 HA3 GLY 7 -3.504 -0.466 4.569
46 H HIS 8 H HIS 8 -4.644 0.539 3.019
47 HA HIS 8 HA HIS 8 -5.099 -1.007 0.509
48 HB2 HIS 8 HB3 HIS 8 -6.795 1.255 1.596
49 HB3 HIS 8 HB2 HIS 8 -7.214 0.074 0.343
50 HD2 HIS 8 HD2 HIS 8 -7.977 0.629 3.933
51 HE1 HIS 8 HE1 HIS 8 -8.131 -3.581 3.443
52 HE2 HIS 8 HE2 HIS 8 -8.730 -1.652 4.991
53 H LEU 9 H LEU 9 -3.106 -0.201 -0.409
54 HA LEU 9 HA LEU 9 -2.500 2.538 -0.763
55 HB2 LEU 9 HB2 LEU 9 -0.916 1.861 -2.315
56 HB3 LEU 9 HB3 LEU 9 -1.074 0.459 -1.251
57 HG LEU 9 HG LEU 9 -2.415 0.742 -3.955
58 HD11 LEU 9 HD11 LEU 9 0.039 0.652 -4.148
59 HD12 LEU 9 HD12 LEU 9 -0.728 -0.830 -4.767
60 HD13 LEU 9 HD13 LEU 9 0.057 -0.835 -3.170
61 HD21 LEU 9 HD21 LEU 9 -2.486 -1.851 -3.565
62 HD22 LEU 9 HD22 LEU 9 -2.331 -1.401 -1.850
63 HD23 LEU 9 HD23 LEU 9 -3.707 -0.801 -2.806
64 H MET 10 H MET 10 -2.503 3.729 -2.853
65 HA MET 10 HA MET 10 -5.239 3.813 -3.873
66 HB2 MET 10 HB2 MET 10 -3.807 5.833 -3.384
67 HB3 MET 10 HB3 MET 10 -2.832 5.409 -4.802
68 HG2 MET 10 HG2 MET 10 -4.498 5.974 -6.289
69 HG3 MET 10 HG3 MET 10 -5.799 5.677 -5.120
70 HE1 MET 10 HE1 MET 10 -4.703 9.651 -6.453
71 HE2 MET 10 HE2 MET 10 -3.735 8.241 -6.947
72 HE3 MET 10 HE3 MET 10 -5.504 8.222 -7.150
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 12.611 5.641 6.333
2 H2 GLY 1 H2 GLY 1 12.309 5.918 4.735
3 H3 GLY 1 H3 GLY 1 13.078 4.536 5.202
4 HA2 GLY 1 HA2 GLY 1 11.164 3.783 6.360
5 HA3 GLY 1 HA3 GLY 1 10.332 5.270 5.865
6 H ASN 2 H ASN 2 10.845 2.047 5.158
7 HA ASN 2 HA ASN 2 9.882 2.469 2.359
8 HB2 ASN 2 HB2 ASN 2 12.300 1.564 2.710
9 HB3 ASN 2 HB3 ASN 2 11.495 0.054 3.179
10 HD21 ASN 2 HD21 ASN 2 13.066 1.365 0.705
11 HD22 ASN 2 HD22 ASN 2 12.193 0.694 -0.654
12 H HIS 3 H HIS 3 7.740 2.369 3.288
13 HA HIS 3 HA HIS 3 6.780 0.122 4.754
14 HB2 HIS 3 HB2 HIS 3 5.312 2.001 2.878
15 HB3 HIS 3 HB3 HIS 3 4.535 0.880 4.009
16 HD2 HIS 3 HD2 HIS 3 6.381 4.315 3.999
17 HE1 HIS 3 HE1 HIS 3 5.009 3.558 7.940
18 HE2 HIS 3 HE2 HIS 3 6.061 5.300 6.411
19 H TRP 4 H TRP 4 5.893 -1.799 4.180
20 HA TRP 4 HA TRP 4 6.433 -2.676 1.406
21 HB2 TRP 4 HB2 TRP 4 6.636 -3.884 3.947
22 HB3 TRP 4 HB3 TRP 4 5.305 -4.717 3.123
23 HD1 TRP 4 HD1 TRP 4 8.812 -5.211 3.616
24 HE1 TRP 4 HE1 TRP 4 9.945 -6.511 1.694
25 HE3 TRP 4 HE3 TRP 4 5.166 -4.673 0.077
26 HZ2 TRP 4 HZ2 TRP 4 9.340 -7.196 -0.964
27 HZ3 TRP 4 HZ3 TRP 4 5.516 -5.682 -2.143
28 HH2 TRP 4 HH2 TRP 4 7.575 -6.929 -2.654
29 H ALA 5 H ALA 5 3.781 -3.248 3.757
30 HA ALA 5 HA ALA 5 1.806 -2.483 1.723
31 HB1 ALA 5 HB1 ALA 5 0.597 -4.628 1.837
32 HB2 ALA 5 HB2 ALA 5 2.224 -4.818 1.141
33 HB3 ALA 5 HB3 ALA 5 1.913 -5.309 2.824
34 H VAL 6 H VAL 6 0.725 -1.038 2.890
35 HA VAL 6 HA VAL 6 0.120 -1.629 5.726
36 HB VAL 6 HB VAL 6 0.970 0.601 5.242
37 HG11 VAL 6 HG11 VAL 6 0.438 1.698 3.376
38 HG12 VAL 6 HG12 VAL 6 -0.678 0.382 2.937
39 HG13 VAL 6 HG13 VAL 6 -1.267 1.772 3.880
40 HG21 VAL 6 HG21 VAL 6 -0.677 0.332 7.053
41 HG22 VAL 6 HG22 VAL 6 -0.792 1.935 6.289
42 HG23 VAL 6 HG23 VAL 6 -1.991 0.677 5.903
43 H GLY 7 H GLY 7 -1.406 -1.467 2.584
44 HA2 GLY 7 HA2 GLY 7 -3.464 -2.786 2.342
45 HA3 GLY 7 HA3 GLY 7 -3.983 -2.174 3.925
46 H HIS 8 H HIS 8 -2.814 0.536 3.055
47 HA HIS 8 HA HIS 8 -5.321 1.455 1.795
48 HB2 HIS 8 HB2 HIS 8 -3.994 2.520 3.813
49 HB3 HIS 8 HB3 HIS 8 -3.047 3.281 2.522
50 HD2 HIS 8 HD2 HIS 8 -4.040 5.749 2.097
51 HE1 HIS 8 HE1 HIS 8 -8.149 4.874 2.675
52 HE2 HIS 8 HE2 HIS 8 -6.482 6.709 2.095
53 H LEU 9 H LEU 9 -4.257 0.022 -0.089
54 HA LEU 9 HA LEU 9 -2.841 1.970 -1.865
55 HB2 LEU 9 HB2 LEU 9 -1.571 -0.112 -1.119
56 HB3 LEU 9 HB3 LEU 9 -2.712 -1.044 -2.097
57 HG LEU 9 HG LEU 9 -1.957 0.535 -4.028
58 HD11 LEU 9 HD11 LEU 9 -0.701 2.096 -2.593
59 HD12 LEU 9 HD12 LEU 9 0.343 1.341 -3.821
60 HD13 LEU 9 HD13 LEU 9 0.403 0.778 -2.133
61 HD21 LEU 9 HD21 LEU 9 -1.519 -1.888 -3.894
62 HD22 LEU 9 HD22 LEU 9 -0.138 -1.004 -4.586
63 HD23 LEU 9 HD23 LEU 9 -0.078 -1.568 -2.899
64 H MET 10 H MET 10 -3.870 2.571 -3.640
65 HA MET 10 HA MET 10 -6.025 0.791 -4.688
66 HB2 MET 10 HB3 MET 10 -6.919 2.741 -3.342
67 HB3 MET 10 HB2 MET 10 -6.206 3.812 -4.561
68 HG2 MET 10 HG2 MET 10 -7.660 3.071 -6.246
69 HG3 MET 10 HG3 MET 10 -8.133 1.625 -5.333
70 HE1 MET 10 HE1 MET 10 -11.540 3.477 -5.379
71 HE2 MET 10 HE2 MET 10 -10.358 3.284 -6.695
72 HE3 MET 10 HE3 MET 10 -10.691 1.927 -5.593
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 13.413 0.340 9.727
2 H2 GLY 1 H2 GLY 1 13.471 0.690 8.117
3 H3 GLY 1 H3 GLY 1 12.606 1.653 9.139
4 HA2 GLY 1 HA3 GLY 1 12.031 -1.143 8.527
5 HA3 GLY 1 HA2 GLY 1 11.102 -0.102 9.623
6 H ASN 2 H ASN 2 11.433 -1.237 6.458
7 HA ASN 2 HA ASN 2 9.762 0.997 5.393
8 HB2 ASN 2 HB2 ASN 2 11.468 -1.073 3.972
9 HB3 ASN 2 HB3 ASN 2 10.405 0.084 3.147
10 HD21 ASN 2 HD21 ASN 2 12.913 0.220 2.347
11 HD22 ASN 2 HD22 ASN 2 13.762 1.581 3.044
12 H HIS 3 H HIS 3 7.690 0.654 5.014
13 HA HIS 3 HA HIS 3 6.720 -2.166 5.046
14 HB2 HIS 3 HB2 HIS 3 5.377 0.476 5.656
15 HB3 HIS 3 HB3 HIS 3 4.463 -1.025 5.425
16 HD2 HIS 3 HD2 HIS 3 4.129 -2.442 7.703
17 HE1 HIS 3 HE1 HIS 3 7.263 -0.686 9.962
18 HE2 HIS 3 HE2 HIS 3 5.325 -2.339 10.040
19 H TRP 4 H TRP 4 6.033 -3.072 3.241
20 HA TRP 4 HA TRP 4 6.057 -1.675 0.741
21 HB2 TRP 4 HB2 TRP 4 5.523 -4.392 1.709
22 HB3 TRP 4 HB3 TRP 4 4.524 -3.946 0.314
23 HD1 TRP 4 HD1 TRP 4 7.650 -5.614 0.946
24 HE1 TRP 4 HE1 TRP 4 9.298 -5.460 -1.036
25 HE3 TRP 4 HE3 TRP 4 5.400 -1.812 -1.626
26 HZ2 TRP 4 HZ2 TRP 4 9.572 -3.917 -3.370
27 HZ3 TRP 4 HZ3 TRP 4 6.421 -1.048 -3.733
28 HH2 TRP 4 HH2 TRP 4 8.476 -2.091 -4.594
29 H ALA 5 H ALA 5 3.263 -3.288 2.313
30 HA ALA 5 HA ALA 5 1.564 -1.085 1.224
31 HB1 ALA 5 HB1 ALA 5 0.861 -4.023 1.522
32 HB2 ALA 5 HB2 ALA 5 -0.251 -2.739 0.989
33 HB3 ALA 5 HB3 ALA 5 1.166 -3.159 -0.004
34 H VAL 6 H VAL 6 1.624 0.128 3.108
35 HA VAL 6 HA VAL 6 1.287 -0.782 5.731
36 HB VAL 6 HB VAL 6 0.201 1.787 4.525
37 HG11 VAL 6 HG11 VAL 6 -0.787 1.255 6.719
38 HG12 VAL 6 HG12 VAL 6 0.846 1.092 7.409
39 HG13 VAL 6 HG13 VAL 6 0.289 2.671 6.804
40 HG21 VAL 6 HG21 VAL 6 2.613 1.468 4.144
41 HG22 VAL 6 HG22 VAL 6 2.293 2.796 5.285
42 HG23 VAL 6 HG23 VAL 6 2.851 1.218 5.890
43 H GLY 7 H GLY 7 -1.223 0.057 3.330
44 HA2 GLY 7 HA3 GLY 7 -3.108 -1.609 4.898
45 HA3 GLY 7 HA2 GLY 7 -3.556 0.077 4.576
46 H HIS 8 H HIS 8 -4.317 0.675 2.599
47 HA HIS 8 HA HIS 8 -4.838 -1.582 0.725
48 HB2 HIS 8 HB2 HIS 8 -6.135 1.158 0.783
49 HB3 HIS 8 HB3 HIS 8 -6.665 -0.263 -0.135
50 HD2 HIS 8 HD2 HIS 8 -7.747 1.504 2.904
51 HE1 HIS 8 HE1 HIS 8 -8.506 -2.575 3.780
52 HE2 HIS 8 HE2 HIS 8 -8.983 -0.179 4.494
53 H LEU 9 H LEU 9 -2.259 -0.214 0.882
54 HA LEU 9 HA LEU 9 -2.221 1.366 -1.631
55 HB2 LEU 9 HB2 LEU 9 -0.013 0.792 0.359
56 HB3 LEU 9 HB3 LEU 9 0.088 1.899 -1.015
57 HG LEU 9 HG LEU 9 -1.904 2.281 1.223
58 HD11 LEU 9 HD11 LEU 9 0.361 2.189 2.191
59 HD12 LEU 9 HD12 LEU 9 0.902 3.426 1.031
60 HD13 LEU 9 HD13 LEU 9 -0.321 3.832 2.260
61 HD21 LEU 9 HD21 LEU 9 -2.296 3.498 -0.885
62 HD22 LEU 9 HD22 LEU 9 -0.663 4.197 -0.779
63 HD23 LEU 9 HD23 LEU 9 -1.885 4.602 0.450
64 H MET 10 H MET 10 -2.008 0.279 -3.455
65 HA MET 10 HA MET 10 -1.098 -2.420 -3.624
66 HB2 MET 10 HB2 MET 10 -2.550 -1.104 -5.269
67 HB3 MET 10 HB3 MET 10 -1.040 -0.419 -5.893
68 HG2 MET 10 HG2 MET 10 -1.478 -2.209 -7.320
69 HG3 MET 10 HG3 MET 10 -0.278 -2.862 -6.188
70 HE1 MET 10 HE1 MET 10 -2.954 -5.736 -7.219
71 HE2 MET 10 HE2 MET 10 -2.618 -4.290 -8.200
72 HE3 MET 10 HE3 MET 10 -1.276 -5.190 -7.454
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 8.608 4.032 -3.087
2 H2 GLY 1 H2 GLY 1 9.932 4.222 -2.123
3 H3 GLY 1 H3 GLY 1 9.464 2.712 -2.592
4 HA2 GLY 1 HA2 GLY 1 7.841 4.497 -0.958
5 HA3 GLY 1 HA3 GLY 1 7.510 2.797 -1.340
6 H ASN 2 H ASN 2 7.568 3.743 1.273
7 HA ASN 2 HA ASN 2 10.204 2.904 2.347
8 HB2 ASN 2 HB2 ASN 2 7.772 4.147 3.672
9 HB3 ASN 2 HB3 ASN 2 9.255 3.683 4.529
10 HD21 ASN 2 HD21 ASN 2 11.300 4.507 3.036
11 HD22 ASN 2 HD22 ASN 2 11.239 6.231 2.745
12 H HIS 3 H HIS 3 6.860 2.402 3.516
13 HA HIS 3 HA HIS 3 7.553 -0.179 4.631
14 HB2 HIS 3 HB2 HIS 3 5.204 -0.329 5.229
15 HB3 HIS 3 HB3 HIS 3 5.836 1.278 5.628
16 HD2 HIS 3 HD2 HIS 3 3.390 -0.405 3.046
17 HE1 HIS 3 HE1 HIS 3 2.804 3.797 2.966
18 HE2 HIS 3 HE2 HIS 3 1.932 1.565 2.101
19 H TRP 4 H TRP 4 6.021 -2.093 4.152
20 HA TRP 4 HA TRP 4 6.371 -2.703 1.303
21 HB2 TRP 4 HB3 TRP 4 6.169 -4.185 3.780
22 HB3 TRP 4 HB2 TRP 4 5.010 -4.814 2.594
23 HD1 TRP 4 HD1 TRP 4 8.371 -5.513 3.665
24 HE1 TRP 4 HE1 TRP 4 9.804 -6.623 1.828
25 HE3 TRP 4 HE3 TRP 4 5.418 -4.432 -0.363
26 HZ2 TRP 4 HZ2 TRP 4 9.666 -6.975 -0.959
27 HZ3 TRP 4 HZ3 TRP 4 6.137 -5.190 -2.592
28 HH2 TRP 4 HH2 TRP 4 8.232 -6.447 -2.884
29 H ALA 5 H ALA 5 3.629 -3.379 3.505
30 HA ALA 5 HA ALA 5 1.776 -2.018 1.683
31 HB1 ALA 5 HB1 ALA 5 0.383 -4.019 1.305
32 HB2 ALA 5 HB2 ALA 5 2.003 -4.193 0.590
33 HB3 ALA 5 HB3 ALA 5 1.611 -5.019 2.117
34 H VAL 6 H VAL 6 0.905 -0.754 3.205
35 HA VAL 6 HA VAL 6 0.260 -1.808 5.855
36 HB VAL 6 HB VAL 6 1.027 0.491 5.666
37 HG11 VAL 6 HG11 VAL 6 0.202 0.942 3.388
38 HG12 VAL 6 HG12 VAL 6 -1.466 0.984 4.007
39 HG13 VAL 6 HG13 VAL 6 -0.291 2.213 4.533
40 HG21 VAL 6 HG21 VAL 6 -0.556 -0.079 7.466
41 HG22 VAL 6 HG22 VAL 6 -0.737 1.610 6.937
42 HG23 VAL 6 HG23 VAL 6 -1.914 0.383 6.411
43 H GLY 7 H GLY 7 -1.370 -1.304 2.811
44 HA2 GLY 7 HA3 GLY 7 -3.405 -2.643 2.468
45 HA3 GLY 7 HA2 GLY 7 -3.880 -2.242 4.130
46 H HIS 8 H HIS 8 -2.443 0.211 2.117
47 HA HIS 8 HA HIS 8 -5.152 1.430 1.770
48 HB2 HIS 8 HB2 HIS 8 -3.597 2.502 3.493
49 HB3 HIS 8 HB3 HIS 8 -2.578 2.983 2.125
50 HD2 HIS 8 HD2 HIS 8 -3.234 5.407 1.138
51 HE1 HIS 8 HE1 HIS 8 -7.231 5.576 2.546
52 HE2 HIS 8 HE2 HIS 8 -5.413 6.861 1.312
53 H LEU 9 H LEU 9 -3.745 -0.313 -0.080
54 HA LEU 9 HA LEU 9 -2.797 1.531 -2.191
55 HB2 LEU 9 HB3 LEU 9 -2.709 -1.421 -1.714
56 HB3 LEU 9 HB2 LEU 9 -2.662 -0.840 -3.382
57 HG LEU 9 HG LEU 9 -0.429 -1.293 -2.420
58 HD11 LEU 9 HD11 LEU 9 -0.738 0.304 -4.271
59 HD12 LEU 9 HD12 LEU 9 -0.947 1.621 -3.094
60 HD13 LEU 9 HD13 LEU 9 0.613 0.774 -3.213
61 HD21 LEU 9 HD21 LEU 9 0.507 0.056 -0.696
62 HD22 LEU 9 HD22 LEU 9 -1.074 -0.500 -0.098
63 HD23 LEU 9 HD23 LEU 9 -0.888 1.162 -0.707
64 H MET 10 H MET 10 -3.637 1.402 -4.364
65 HA MET 10 HA MET 10 -6.283 0.192 -4.737
66 HB2 MET 10 HB2 MET 10 -7.448 2.240 -5.241
67 HB3 MET 10 HB3 MET 10 -6.793 2.339 -3.597
68 HG2 MET 10 HG3 MET 10 -4.772 3.520 -4.827
69 HG3 MET 10 HG2 MET 10 -5.995 3.818 -6.076
70 HE1 MET 10 HE1 MET 10 -7.598 6.935 -4.955
71 HE2 MET 10 HE2 MET 10 -7.948 5.464 -5.894
72 HE3 MET 10 HE3 MET 10 -6.386 6.296 -6.092
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 12.982 -1.321 9.124
2 H2 GLY 1 H2 GLY 1 12.655 -2.757 8.383
3 H3 GLY 1 H3 GLY 1 11.448 -1.925 9.139
4 HA2 GLY 1 HA3 GLY 1 11.633 -0.139 7.598
5 HA3 GLY 1 HA2 GLY 1 12.927 -1.041 6.787
6 H ASN 2 H ASN 2 9.646 -1.789 8.033
7 HA ASN 2 HA ASN 2 9.109 -3.109 5.406
8 HB2 ASN 2 HB3 ASN 2 7.869 -3.680 8.122
9 HB3 ASN 2 HB2 ASN 2 7.478 -4.506 6.601
10 HD21 ASN 2 HD21 ASN 2 9.199 -5.728 5.520
11 HD22 ASN 2 HD22 ASN 2 10.447 -6.473 6.494
12 H HIS 3 H HIS 3 8.221 -1.449 4.264
13 HA HIS 3 HA HIS 3 5.608 -0.464 5.302
14 HB2 HIS 3 HB2 HIS 3 7.825 1.190 4.065
15 HB3 HIS 3 HB3 HIS 3 6.151 1.755 4.204
16 HD2 HIS 3 HD2 HIS 3 5.350 2.517 6.766
17 HE1 HIS 3 HE1 HIS 3 9.141 1.958 8.589
18 HE2 HIS 3 HE2 HIS 3 6.798 2.905 8.922
19 H TRP 4 H TRP 4 6.335 -2.603 3.431
20 HA TRP 4 HA TRP 4 6.070 -1.845 0.728
21 HB2 TRP 4 HB3 TRP 4 5.798 -4.292 2.314
22 HB3 TRP 4 HB2 TRP 4 4.702 -4.254 0.922
23 HD1 TRP 4 HD1 TRP 4 8.042 -5.410 1.728
24 HE1 TRP 4 HE1 TRP 4 9.540 -5.642 -0.362
25 HE3 TRP 4 HE3 TRP 4 5.205 -2.700 -1.547
26 HZ2 TRP 4 HZ2 TRP 4 9.488 -4.772 -3.037
27 HZ3 TRP 4 HZ3 TRP 4 5.997 -2.443 -3.863
28 HH2 TRP 4 HH2 TRP 4 8.111 -3.467 -4.598
29 H ALA 5 H ALA 5 3.436 -3.310 2.668
30 HA ALA 5 HA ALA 5 1.552 -1.489 1.229
31 HB1 ALA 5 HB1 ALA 5 -0.118 -3.301 1.324
32 HB2 ALA 5 HB2 ALA 5 1.327 -3.778 0.402
33 HB3 ALA 5 HB3 ALA 5 1.096 -4.372 2.063
34 H VAL 6 H VAL 6 1.510 0.046 2.860
35 HA VAL 6 HA VAL 6 1.269 -0.398 5.611
36 HB VAL 6 HB VAL 6 1.626 1.829 4.702
37 HG11 VAL 6 HG11 VAL 6 0.172 2.981 3.329
38 HG12 VAL 6 HG12 VAL 6 -0.086 1.311 2.771
39 HG13 VAL 6 HG13 VAL 6 -1.251 2.068 3.885
40 HG21 VAL 6 HG21 VAL 6 0.027 3.094 6.087
41 HG22 VAL 6 HG22 VAL 6 -0.985 1.638 6.237
42 HG23 VAL 6 HG23 VAL 6 0.651 1.660 6.936
43 H GLY 7 H GLY 7 -1.227 -0.497 3.100
44 HA2 GLY 7 HA2 GLY 7 -2.912 -2.178 4.666
45 HA3 GLY 7 HA3 GLY 7 -3.499 -0.508 4.783
46 H HIS 8 H HIS 8 -3.758 0.641 2.633
47 HA HIS 8 HA HIS 8 -4.591 -1.272 0.501
48 HB2 HIS 8 HB2 HIS 8 -6.599 0.185 0.116
49 HB3 HIS 8 HB3 HIS 8 -6.635 -0.757 1.617
50 HD2 HIS 8 HD2 HIS 8 -6.106 0.822 3.987
51 HE1 HIS 8 HE1 HIS 8 -7.111 4.471 2.070
52 HE2 HIS 8 HE2 HIS 8 -6.679 3.361 4.324
53 H LEU 9 H LEU 9 -2.356 -0.429 -0.126
54 HA LEU 9 HA LEU 9 -1.974 2.260 -0.952
55 HB2 LEU 9 HB2 LEU 9 -0.164 1.380 -2.343
56 HB3 LEU 9 HB3 LEU 9 -0.122 0.718 -0.705
57 HG LEU 9 HG LEU 9 -1.477 -1.257 -1.881
58 HD11 LEU 9 HD11 LEU 9 -1.543 -0.139 -4.076
59 HD12 LEU 9 HD12 LEU 9 -0.644 -1.673 -4.143
60 HD13 LEU 9 HD13 LEU 9 0.236 -0.127 -4.118
61 HD21 LEU 9 HD21 LEU 9 0.653 -1.444 -0.655
62 HD22 LEU 9 HD22 LEU 9 0.649 -2.442 -2.129
63 HD23 LEU 9 HD23 LEU 9 1.529 -0.895 -2.104
64 H MET 10 H MET 10 -3.604 -0.451 -2.470
65 HA MET 10 HA MET 10 -3.647 0.394 -5.151
66 HB2 MET 10 HB2 MET 10 -5.661 -0.933 -5.392
67 HB3 MET 10 HB3 MET 10 -4.503 -1.780 -4.351
68 HG2 MET 10 HG3 MET 10 -5.838 -0.666 -2.403
69 HG3 MET 10 HG2 MET 10 -7.097 -0.442 -3.632
70 HE1 MET 10 HE1 MET 10 -8.960 -3.615 -3.563
71 HE2 MET 10 HE2 MET 10 -8.510 -2.316 -4.693
72 HE3 MET 10 HE3 MET 10 -9.021 -1.916 -3.036
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 9.841 4.559 8.434
2 H2 GLY 1 H2 GLY 1 9.393 2.991 8.183
3 H3 GLY 1 H3 GLY 1 10.730 3.597 7.431
4 HA2 GLY 1 HA2 GLY 1 7.929 4.085 6.894
5 HA3 GLY 1 HA3 GLY 1 9.155 5.282 6.433
6 H ASN 2 H ASN 2 9.126 1.699 6.410
7 HA ASN 2 HA ASN 2 9.484 1.817 3.453
8 HB2 ASN 2 HB2 ASN 2 11.133 0.180 5.408
9 HB3 ASN 2 HB3 ASN 2 11.167 -0.019 3.645
10 HD21 ASN 2 HD21 ASN 2 12.016 2.052 6.369
11 HD22 ASN 2 HD22 ASN 2 13.114 3.095 5.494
12 H HIS 3 H HIS 3 7.118 1.292 4.999
13 HA HIS 3 HA HIS 3 6.729 -1.601 5.046
14 HB2 HIS 3 HB3 HIS 3 4.981 0.804 5.528
15 HB3 HIS 3 HB2 HIS 3 4.269 -0.807 5.340
16 HD2 HIS 3 HD2 HIS 3 6.971 -2.123 7.113
17 HE1 HIS 3 HE1 HIS 3 4.946 -0.089 10.235
18 HE2 HIS 3 HE2 HIS 3 6.693 -1.865 9.710
19 H TRP 4 H TRP 4 6.313 -2.820 3.350
20 HA TRP 4 HA TRP 4 6.010 -1.905 0.722
21 HB2 TRP 4 HB2 TRP 4 5.742 -4.432 2.150
22 HB3 TRP 4 HB3 TRP 4 4.594 -4.317 0.804
23 HD1 TRP 4 HD1 TRP 4 7.925 -5.574 1.421
24 HE1 TRP 4 HE1 TRP 4 9.365 -5.683 -0.719
25 HE3 TRP 4 HE3 TRP 4 5.078 -2.567 -1.574
26 HZ2 TRP 4 HZ2 TRP 4 9.276 -4.617 -3.317
27 HZ3 TRP 4 HZ3 TRP 4 5.822 -2.156 -3.886
28 HH2 TRP 4 HH2 TRP 4 7.894 -3.170 -4.744
29 H ALA 5 H ALA 5 3.343 -3.481 2.524
30 HA ALA 5 HA ALA 5 1.494 -1.530 1.218
31 HB1 ALA 5 HB1 ALA 5 0.638 -4.311 1.994
32 HB2 ALA 5 HB2 ALA 5 -0.069 -3.203 0.794
33 HB3 ALA 5 HB3 ALA 5 1.474 -4.020 0.450
34 H VAL 6 H VAL 6 1.474 -0.120 2.961
35 HA VAL 6 HA VAL 6 1.195 -0.763 5.670
36 HB VAL 6 HB VAL 6 1.608 1.517 4.933
37 HG11 VAL 6 HG11 VAL 6 0.193 2.798 3.636
38 HG12 VAL 6 HG12 VAL 6 -0.104 1.179 2.957
39 HG13 VAL 6 HG13 VAL 6 -1.256 1.883 4.117
40 HG21 VAL 6 HG21 VAL 6 0.575 1.161 7.141
41 HG22 VAL 6 HG22 VAL 6 -1.039 1.312 6.405
42 HG23 VAL 6 HG23 VAL 6 0.068 2.706 6.416
43 H GLY 7 H GLY 7 -1.292 -0.577 3.146
44 HA2 GLY 7 HA2 GLY 7 -3.020 -2.432 4.234
45 HA3 GLY 7 HA3 GLY 7 -3.478 -0.913 5.030
46 H HIS 8 H HIS 8 -2.639 0.612 2.567
47 HA HIS 8 HA HIS 8 -5.230 0.348 1.194
48 HB2 HIS 8 HB3 HIS 8 -4.495 2.397 -0.007
49 HB3 HIS 8 HB2 HIS 8 -4.520 2.570 1.755
50 HD2 HIS 8 HD2 HIS 8 -1.364 0.782 0.519
51 HE1 HIS 8 HE1 HIS 8 -0.335 4.852 1.134
52 HE2 HIS 8 HE2 HIS 8 0.595 2.523 0.676
53 H LEU 9 H LEU 9 -3.996 -1.929 0.676
54 HA LEU 9 HA LEU 9 -2.694 -1.588 -1.988
55 HB2 LEU 9 HB2 LEU 9 -1.504 -2.847 -0.151
56 HB3 LEU 9 HB3 LEU 9 -2.774 -4.072 -0.256
57 HG LEU 9 HG LEU 9 -2.062 -4.097 -2.808
58 HD11 LEU 9 HD11 LEU 9 -0.461 -2.237 -2.584
59 HD12 LEU 9 HD12 LEU 9 0.473 -3.190 -1.406
60 HD13 LEU 9 HD13 LEU 9 0.341 -3.742 -3.093
61 HD21 LEU 9 HD21 LEU 9 -1.977 -5.995 -1.236
62 HD22 LEU 9 HD22 LEU 9 -0.419 -5.403 -0.613
63 HD23 LEU 9 HD23 LEU 9 -0.551 -5.954 -2.300
64 H MET 10 H MET 10 -4.585 -1.267 -3.186
65 HA MET 10 HA MET 10 -6.670 -3.345 -3.098
66 HB2 MET 10 HB3 MET 10 -6.322 -0.702 -4.491
67 HB3 MET 10 HB2 MET 10 -7.503 -1.871 -5.109
68 HG2 MET 10 HG2 MET 10 -8.779 -0.560 -3.694
69 HG3 MET 10 HG3 MET 10 -8.377 -1.954 -2.674
70 HE1 MET 10 HE1 MET 10 -7.701 2.360 -1.720
71 HE2 MET 10 HE2 MET 10 -9.126 1.461 -2.295
72 HE3 MET 10 HE3 MET 10 -7.797 1.836 -3.419
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 13.127 1.830 8.230
2 H2 GLY 1 H2 GLY 1 11.710 1.059 7.888
3 H3 GLY 1 H3 GLY 1 11.688 2.573 8.542
4 HA2 GLY 1 HA2 GLY 1 12.698 3.491 6.616
5 HA3 GLY 1 HA3 GLY 1 12.728 1.865 5.908
6 H ASN 2 H ASN 2 11.000 1.152 4.803
7 HA ASN 2 HA ASN 2 8.435 2.630 5.127
8 HB2 ASN 2 HB2 ASN 2 8.150 2.811 2.731
9 HB3 ASN 2 HB3 ASN 2 9.670 3.597 3.201
10 HD21 ASN 2 HD21 ASN 2 8.160 1.054 1.374
11 HD22 ASN 2 HD22 ASN 2 9.611 0.422 0.630
12 H HIS 3 H HIS 3 6.709 1.353 5.223
13 HA HIS 3 HA HIS 3 7.069 -1.527 5.122
14 HB2 HIS 3 HB2 HIS 3 5.490 -0.117 6.623
15 HB3 HIS 3 HB3 HIS 3 4.400 -0.121 5.225
16 HD2 HIS 3 HD2 HIS 3 2.648 -2.162 5.381
17 HE1 HIS 3 HE1 HIS 3 5.060 -4.884 7.564
18 HE2 HIS 3 HE2 HIS 3 2.775 -4.534 6.497
19 H TRP 4 H TRP 4 6.484 -2.967 3.597
20 HA TRP 4 HA TRP 4 6.304 -2.172 0.895
21 HB2 TRP 4 HB3 TRP 4 6.052 -4.663 2.430
22 HB3 TRP 4 HB2 TRP 4 5.060 -4.642 0.961
23 HD1 TRP 4 HD1 TRP 4 8.385 -5.662 1.992
24 HE1 TRP 4 HE1 TRP 4 10.039 -5.778 0.012
25 HE3 TRP 4 HE3 TRP 4 5.666 -3.016 -1.433
26 HZ2 TRP 4 HZ2 TRP 4 10.141 -4.856 -2.643
27 HZ3 TRP 4 HZ3 TRP 4 6.612 -2.673 -3.681
28 HH2 TRP 4 HH2 TRP 4 8.819 -3.582 -4.277
29 H ALA 5 H ALA 5 3.668 -3.663 2.825
30 HA ALA 5 HA ALA 5 1.754 -2.093 1.152
31 HB1 ALA 5 HB1 ALA 5 0.130 -3.905 1.545
32 HB2 ALA 5 HB2 ALA 5 1.593 -4.493 0.720
33 HB3 ALA 5 HB3 ALA 5 1.365 -4.806 2.457
34 H VAL 6 H VAL 6 1.751 -0.311 2.547
35 HA VAL 6 HA VAL 6 1.448 -0.335 5.327
36 HB VAL 6 HB VAL 6 0.204 1.618 3.359
37 HG11 VAL 6 HG11 VAL 6 -0.774 1.767 5.615
38 HG12 VAL 6 HG12 VAL 6 0.201 3.202 5.221
39 HG13 VAL 6 HG13 VAL 6 0.857 1.951 6.304
40 HG21 VAL 6 HG21 VAL 6 2.636 1.356 3.077
41 HG22 VAL 6 HG22 VAL 6 2.869 1.709 4.806
42 HG23 VAL 6 HG23 VAL 6 2.213 2.960 3.723
43 H GLY 7 H GLY 7 -1.167 -0.204 2.867
44 HA2 GLY 7 HA3 GLY 7 -2.872 -1.900 4.456
45 HA3 GLY 7 HA2 GLY 7 -3.344 -0.197 4.613
46 H HIS 8 H HIS 8 -4.585 0.713 3.093
47 HA HIS 8 HA HIS 8 -5.281 -1.000 0.759
48 HB2 HIS 8 HB2 HIS 8 -7.051 -0.168 2.388
49 HB3 HIS 8 HB3 HIS 8 -6.751 1.459 1.751
50 HD2 HIS 8 HD2 HIS 8 -8.601 2.042 -0.111
51 HE1 HIS 8 HE1 HIS 8 -9.103 -1.850 -1.728
52 HE2 HIS 8 HE2 HIS 8 -9.855 0.579 -1.896
53 H LEU 9 H LEU 9 -3.426 -0.467 -0.478
54 HA LEU 9 HA LEU 9 -3.543 2.301 -1.607
55 HB2 LEU 9 HB2 LEU 9 -1.137 2.111 -2.048
56 HB3 LEU 9 HB3 LEU 9 -1.513 2.046 -0.323
57 HG LEU 9 HG LEU 9 -1.179 -0.522 -1.825
58 HD11 LEU 9 HD11 LEU 9 0.723 0.868 -2.548
59 HD12 LEU 9 HD12 LEU 9 1.125 1.194 -0.845
60 HD13 LEU 9 HD13 LEU 9 1.243 -0.462 -1.486
61 HD21 LEU 9 HD21 LEU 9 -1.890 -0.511 0.534
62 HD22 LEU 9 HD22 LEU 9 -0.296 -1.275 0.328
63 HD23 LEU 9 HD23 LEU 9 -0.413 0.381 0.970
64 H MET 10 H MET 10 -4.998 -0.090 -2.463
65 HA MET 10 HA MET 10 -3.699 -0.515 -5.122
66 HB2 MET 10 HB2 MET 10 -5.344 -2.274 -3.343
67 HB3 MET 10 HB3 MET 10 -5.495 -2.479 -5.096
68 HG2 MET 10 HG2 MET 10 -2.839 -2.503 -3.651
69 HG3 MET 10 HG3 MET 10 -3.807 -3.965 -3.915
70 HE1 MET 10 HE1 MET 10 -2.438 -5.189 -7.107
71 HE2 MET 10 HE2 MET 10 -2.245 -5.370 -5.347
72 HE3 MET 10 HE3 MET 10 -3.874 -5.302 -6.061
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 8.439 4.008 9.442
2 H2 GLY 1 H2 GLY 1 9.731 3.330 8.675
3 H3 GLY 1 H3 GLY 1 8.357 2.448 8.912
4 HA2 GLY 1 HA3 GLY 1 7.119 3.861 7.485
5 HA3 GLY 1 HA2 GLY 1 8.583 4.835 7.250
6 H ASN 2 H ASN 2 7.714 4.172 4.969
7 HA ASN 2 HA ASN 2 8.100 3.001 3.021
8 HB2 ASN 2 HB2 ASN 2 10.595 2.395 4.612
9 HB3 ASN 2 HB3 ASN 2 10.358 1.736 2.982
10 HD21 ASN 2 HD21 ASN 2 12.030 2.883 2.019
11 HD22 ASN 2 HD22 ASN 2 11.983 4.618 1.798
12 H HIS 3 H HIS 3 6.323 1.771 4.753
13 HA HIS 3 HA HIS 3 7.003 -1.023 5.130
14 HB2 HIS 3 HB3 HIS 3 5.304 0.328 6.456
15 HB3 HIS 3 HB2 HIS 3 4.235 0.197 5.049
16 HD2 HIS 3 HD2 HIS 3 6.326 -2.702 6.782
17 HE1 HIS 3 HE1 HIS 3 2.226 -3.777 6.631
18 HE2 HIS 3 HE2 HIS 3 4.555 -4.569 7.298
19 H TRP 4 H TRP 4 6.688 -2.732 3.844
20 HA TRP 4 HA TRP 4 6.432 -2.453 1.065
21 HB2 TRP 4 HB2 TRP 4 6.473 -4.631 3.002
22 HB3 TRP 4 HB3 TRP 4 5.418 -4.998 1.625
23 HD1 TRP 4 HD1 TRP 4 8.872 -5.464 2.620
24 HE1 TRP 4 HE1 TRP 4 10.451 -5.788 0.605
25 HE3 TRP 4 HE3 TRP 4 5.754 -3.795 -1.069
26 HZ2 TRP 4 HZ2 TRP 4 10.352 -5.380 -2.175
27 HZ3 TRP 4 HZ3 TRP 4 6.569 -3.791 -3.393
28 HH2 TRP 4 HH2 TRP 4 8.839 -4.573 -3.936
29 H ALA 5 H ALA 5 3.916 -3.692 3.310
30 HA ALA 5 HA ALA 5 1.892 -2.782 1.309
31 HB1 ALA 5 HB1 ALA 5 0.421 -4.552 2.197
32 HB2 ALA 5 HB2 ALA 5 1.935 -5.216 1.537
33 HB3 ALA 5 HB3 ALA 5 1.721 -5.070 3.298
34 H VAL 6 H VAL 6 1.737 -0.699 2.178
35 HA VAL 6 HA VAL 6 1.410 -0.004 4.868
36 HB VAL 6 HB VAL 6 0.033 1.248 2.466
37 HG11 VAL 6 HG11 VAL 6 -0.976 1.914 4.612
38 HG12 VAL 6 HG12 VAL 6 0.628 2.406 5.207
39 HG13 VAL 6 HG13 VAL 6 -0.116 3.266 3.838
40 HG21 VAL 6 HG21 VAL 6 2.481 1.116 2.235
41 HG22 VAL 6 HG22 VAL 6 1.924 2.795 2.434
42 HG23 VAL 6 HG23 VAL 6 2.668 1.936 3.804
43 H GLY 7 H GLY 7 -1.209 -0.663 2.496
44 HA2 GLY 7 HA2 GLY 7 -2.798 -2.281 4.048
45 HA3 GLY 7 HA3 GLY 7 -3.210 -0.651 4.614
46 H HIS 8 H HIS 8 -4.172 0.842 3.154
47 HA HIS 8 HA HIS 8 -5.226 -0.393 0.651
48 HB2 HIS 8 HB3 HIS 8 -7.399 0.786 1.131
49 HB3 HIS 8 HB2 HIS 8 -7.031 -0.592 2.181
50 HD2 HIS 8 HD2 HIS 8 -6.350 3.317 2.539
51 HE1 HIS 8 HE1 HIS 8 -7.741 1.738 6.223
52 HE2 HIS 8 HE2 HIS 8 -6.975 3.856 5.031
53 H LEU 9 H LEU 9 -3.006 1.272 0.755
54 HA LEU 9 HA LEU 9 -3.961 3.987 0.080
55 HB2 LEU 9 HB2 LEU 9 -1.821 3.284 1.440
56 HB3 LEU 9 HB3 LEU 9 -1.106 3.088 -0.165
57 HG LEU 9 HG LEU 9 -2.494 5.657 0.507
58 HD11 LEU 9 HD11 LEU 9 -1.049 5.195 2.449
59 HD12 LEU 9 HD12 LEU 9 0.335 4.960 1.355
60 HD13 LEU 9 HD13 LEU 9 -0.439 6.558 1.479
61 HD21 LEU 9 HD21 LEU 9 -1.669 5.223 -1.775
62 HD22 LEU 9 HD22 LEU 9 -0.803 6.574 -1.005
63 HD23 LEU 9 HD23 LEU 9 -0.028 4.977 -1.129
64 H MET 10 H MET 10 -1.977 1.414 -1.439
65 HA MET 10 HA MET 10 -1.994 2.674 -4.029
66 HB2 MET 10 HB2 MET 10 -0.429 0.829 -2.996
67 HB3 MET 10 HB3 MET 10 -1.629 -0.288 -3.668
68 HG2 MET 10 HG2 MET 10 -0.503 1.866 -5.419
69 HG3 MET 10 HG3 MET 10 0.498 0.448 -5.049
70 HE1 MET 10 HE1 MET 10 -1.437 0.374 -8.735
71 HE2 MET 10 HE2 MET 10 0.108 0.844 -7.987
72 HE3 MET 10 HE3 MET 10 -1.340 1.850 -7.745