Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640538 | 6h7q RC | 34306 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HT1 SER 1 -4.298 6.981 2.527
2 H2 SER 1 HT2 SER 1 -4.490 5.907 3.852
3 H3 SER 1 HT3 SER 1 -5.776 6.948 3.395
4 HA SER 1 HA SER 1 -6.407 4.955 2.545
5 HB2 SER 1 HB3 SER 1 -4.888 6.543 0.465
6 HB3 SER 1 HB2 SER 1 -5.967 5.209 0.056
7 HG SER 1 HG SER 1 -6.725 7.600 0.244
8 H TRP 2 H TRP 2 -5.711 3.274 0.712
9 HA TRP 2 HA TRP 2 -3.194 2.078 1.674
10 HB2 TRP 2 HB3 TRP 2 -5.748 0.863 0.631
11 HB3 TRP 2 HB2 TRP 2 -4.251 -0.057 0.729
12 HD1 TRP 2 HD1 TRP 2 -7.222 0.609 2.731
13 HE1 TRP 2 HE1 TRP 2 -6.805 0.061 5.215
14 HE3 TRP 2 HE3 TRP 2 -2.148 0.298 2.621
15 HZ2 TRP 2 HZ2 TRP 2 -4.583 -0.428 6.907
16 HZ3 TRP 2 HZ3 TRP 2 -0.941 -0.193 4.691
17 HH2 TRP 2 HH2 TRP 2 -2.128 -0.556 6.800
18 H THR 3 H THR 3 -1.582 1.730 0.301
19 HA THR 3 HA THR 3 -2.100 1.989 -2.586
20 HB THR 3 HB THR 3 0.617 2.641 -1.641
21 HG1 THR 3 HG1 THR 3 -1.619 4.219 -0.936
22 HG21 THR 3 HG21 THR 3 0.145 4.673 -3.107
23 HG22 THR 3 HG22 THR 3 -1.321 3.820 -3.591
24 HG23 THR 3 HG23 THR 3 0.260 3.098 -3.893
25 H TRP 4 H TRP 4 -1.456 0.308 -3.795
26 HA TRP 4 HA TRP 4 -0.031 -1.863 -2.466
27 HB2 TRP 4 HB3 TRP 4 -1.977 -2.612 -3.536
28 HB3 TRP 4 HB2 TRP 4 -1.720 -1.582 -4.934
29 HD1 TRP 4 HD1 TRP 4 0.032 -2.462 -6.787
30 HE1 TRP 4 HE1 TRP 4 0.764 -4.861 -7.387
31 HE3 TRP 4 HE3 TRP 4 -1.468 -4.846 -2.530
32 HZ2 TRP 4 HZ2 TRP 4 0.705 -7.426 -6.200
33 HZ3 TRP 4 HZ3 TRP 4 -1.092 -7.267 -2.330
34 HH2 TRP 4 HH2 TRP 4 -0.030 -8.532 -4.132
35 H GLU 5 H GLU 5 2.072 -2.285 -2.838
36 HA GLU 5 HA GLU 5 3.297 -1.328 -5.316
37 HB2 GLU 5 HB3 GLU 5 3.530 0.223 -3.160
38 HB3 GLU 5 HB2 GLU 5 4.862 -0.885 -2.831
39 HG2 GLU 5 HG3 GLU 5 6.151 0.030 -4.396
40 HG3 GLU 5 HG2 GLU 5 4.842 0.078 -5.575
41 H ASN 6 H ASN 6 4.591 -2.761 -6.210
42 HA ASN 6 HA ASN 6 5.664 -4.741 -6.572
43 HB2 ASN 6 HB3 ASN 6 7.378 -3.243 -5.538
44 HB3 ASN 6 HB2 ASN 6 7.039 -4.012 -3.984
45 HD21 ASN 6 HD21 ASN 6 7.631 -5.060 -7.329
46 HD22 ASN 6 HD22 ASN 6 8.794 -6.270 -6.921
47 H GLY 7 H GLY 7 3.190 -5.190 -5.173
48 HA2 GLY 7 HA3 GLY 7 2.261 -7.222 -4.476
49 HA3 GLY 7 HA2 GLY 7 3.866 -7.801 -4.098
50 H LYS 8 H LYS 8 2.953 -4.720 -2.785
51 HA LYS 8 HA LYS 8 2.107 -5.965 -0.282
52 HB2 LYS 8 HB3 LYS 8 4.742 -4.896 -0.735
53 HB3 LYS 8 HB2 LYS 8 3.924 -3.970 0.517
54 HG2 LYS 8 HG3 LYS 8 3.792 -6.925 0.693
55 HG3 LYS 8 HG2 LYS 8 5.334 -6.145 1.053
56 HD2 LYS 8 HD3 LYS 8 4.542 -5.141 2.936
57 HD3 LYS 8 HD2 LYS 8 2.906 -4.985 2.295
58 HE2 LYS 8 HE3 LYS 8 2.267 -7.010 3.068
59 HE3 LYS 8 HE2 LYS 8 3.844 -7.739 2.765
60 HZ1 LYS 8 HZ1 LYS 8 3.738 -5.761 4.892
61 HZ2 LYS 8 HZ2 LYS 8 4.571 -7.231 4.820
62 HZ3 LYS 8 HZ3 LYS 8 2.922 -7.212 5.195
63 H TRP 9 H TRP 9 0.570 -4.878 0.727
64 HA TRP 9 HA TRP 9 -0.351 -2.350 -0.346
65 HB2 TRP 9 HB3 TRP 9 -1.394 -4.386 1.574
66 HB3 TRP 9 HB2 TRP 9 -2.045 -2.768 1.664
67 HD1 TRP 9 HD1 TRP 9 -2.510 -5.926 -0.011
68 HE1 TRP 9 HE1 TRP 9 -4.144 -5.729 -1.998
69 HE3 TRP 9 HE3 TRP 9 -2.685 -0.846 -0.373
70 HZ2 TRP 9 HZ2 TRP 9 -5.347 -3.667 -3.509
71 HZ3 TRP 9 HZ3 TRP 9 -4.101 0.165 -2.111
72 HH2 TRP 9 HH2 TRP 9 -5.406 -1.215 -3.643
73 H THR 10 H THR 10 0.128 -0.398 0.481
74 HA THR 10 HA THR 10 1.136 -0.261 3.246
75 HB THR 10 HB THR 10 2.478 1.780 2.216
76 HG1 THR 10 HG1 THR 10 2.283 -0.003 0.021
77 HG21 THR 10 HG21 THR 10 3.237 -0.648 3.099
78 HG22 THR 10 HG22 THR 10 4.345 0.570 2.467
79 HG23 THR 10 HG23 THR 10 3.772 -0.729 1.421
80 H TRP 11 H TRP 11 0.681 1.658 4.398
81 HA TRP 11 HA TRP 11 -1.720 3.012 3.450
82 HB2 TRP 11 HB3 TRP 11 -1.726 2.106 5.732
83 HB3 TRP 11 HB2 TRP 11 -0.336 3.114 6.143
84 HD1 TRP 11 HD1 TRP 11 -0.826 5.510 6.984
85 HE1 TRP 11 HE1 TRP 11 -2.956 6.918 7.303
86 HE3 TRP 11 HE3 TRP 11 -4.180 2.480 4.581
87 HZ2 TRP 11 HZ2 TRP 11 -5.691 6.768 6.629
88 HZ3 TRP 11 HZ3 TRP 11 -6.532 3.189 4.465
89 HH2 TRP 11 HH2 TRP 11 -7.270 5.288 5.468
90 H LYS 12 H LYS 12 -1.185 4.589 2.042
91 HA LYS 12 HA LYS 12 -0.044 6.987 3.013
92 HB2 LYS 12 HB3 LYS 12 1.956 5.360 2.564
93 HB3 LYS 12 HB2 LYS 12 1.660 5.759 0.876
94 HG2 LYS 12 HG3 LYS 12 1.845 8.050 2.717
95 HG3 LYS 12 HG2 LYS 12 3.331 7.131 2.468
96 HD2 LYS 12 HD3 LYS 12 3.576 7.880 0.367
97 HD3 LYS 12 HD2 LYS 12 1.860 7.688 0.001
98 HE2 LYS 12 HE3 LYS 12 1.949 9.950 -0.084
99 HE3 LYS 12 HE2 LYS 12 1.706 9.780 1.654
100 HZ1 LYS 12 HZ1 LYS 12 3.825 10.396 2.104
101 HZ2 LYS 12 HZ2 LYS 12 3.648 11.230 0.643
102 HZ3 LYS 12 HZ3 LYS 12 4.457 9.745 0.675
Start of MODEL 2
1 H1 SER 1 HT1 SER 1 -6.161 6.679 3.181
2 H2 SER 1 HT2 SER 1 -4.581 6.814 2.525
3 H3 SER 1 HT3 SER 1 -4.908 5.657 3.748
4 HA SER 1 HA SER 1 -6.589 4.722 2.141
5 HB2 SER 1 HB3 SER 1 -4.770 6.037 0.129
6 HB3 SER 1 HB2 SER 1 -6.338 5.274 -0.137
7 HG SER 1 HG SER 1 -7.179 7.041 1.226
8 H TRP 2 H TRP 2 -5.686 3.081 0.468
9 HA TRP 2 HA TRP 2 -3.178 2.007 1.586
10 HB2 TRP 2 HB3 TRP 2 -5.613 0.678 0.408
11 HB3 TRP 2 HB2 TRP 2 -4.085 -0.176 0.583
12 HD1 TRP 2 HD1 TRP 2 -7.183 0.343 2.421
13 HE1 TRP 2 HE1 TRP 2 -6.875 -0.194 4.924
14 HE3 TRP 2 HE3 TRP 2 -2.098 0.279 2.589
15 HZ2 TRP 2 HZ2 TRP 2 -4.727 -0.582 6.734
16 HZ3 TRP 2 HZ3 TRP 2 -0.985 -0.163 4.721
17 HH2 TRP 2 HH2 TRP 2 -2.267 -0.591 6.761
18 H THR 3 H THR 3 -1.472 1.733 0.310
19 HA THR 3 HA THR 3 -1.828 2.050 -2.597
20 HB THR 3 HB THR 3 -0.580 3.920 -1.724
21 HG1 THR 3 HG1 THR 3 0.329 3.346 -3.602
22 HG21 THR 3 HG21 THR 3 0.727 1.895 -0.070
23 HG22 THR 3 HG22 THR 3 0.472 3.616 0.220
24 HG23 THR 3 HG23 THR 3 1.819 3.081 -0.786
25 H TRP 4 H TRP 4 -1.203 0.386 -3.845
26 HA TRP 4 HA TRP 4 0.129 -1.863 -2.527
27 HB2 TRP 4 HB3 TRP 4 -1.915 -2.507 -3.505
28 HB3 TRP 4 HB2 TRP 4 -1.628 -1.549 -4.948
29 HD1 TRP 4 HD1 TRP 4 -0.098 -2.612 -6.838
30 HE1 TRP 4 HE1 TRP 4 0.541 -5.063 -7.340
31 HE3 TRP 4 HE3 TRP 4 -1.331 -4.690 -2.348
32 HZ2 TRP 4 HZ2 TRP 4 0.516 -7.550 -5.988
33 HZ3 TRP 4 HZ3 TRP 4 -0.991 -7.101 -2.018
34 HH2 TRP 4 HH2 TRP 4 -0.090 -8.505 -3.805
35 H GLU 5 H GLU 5 2.193 -2.368 -3.002
36 HA GLU 5 HA GLU 5 3.330 -1.448 -5.536
37 HB2 GLU 5 HB3 GLU 5 5.371 -0.650 -4.321
38 HB3 GLU 5 HB2 GLU 5 3.924 0.324 -4.060
39 HG2 GLU 5 HG3 GLU 5 3.780 -1.461 -2.005
40 HG3 GLU 5 HG2 GLU 5 5.520 -1.228 -2.168
41 H ASN 6 H ASN 6 4.280 -3.064 -6.515
42 HA ASN 6 HA ASN 6 5.203 -5.110 -6.912
43 HB2 ASN 6 HB3 ASN 6 7.000 -3.428 -5.700
44 HB3 ASN 6 HB2 ASN 6 7.145 -4.896 -4.729
45 HD21 ASN 6 HD21 ASN 6 7.102 -3.753 -8.075
46 HD22 ASN 6 HD22 ASN 6 8.218 -4.927 -8.675
47 H GLY 7 H GLY 7 2.977 -5.363 -5.101
48 HA2 GLY 7 HA3 GLY 7 2.161 -7.393 -4.204
49 HA3 GLY 7 HA2 GLY 7 3.806 -7.889 -3.892
50 H LYS 8 H LYS 8 2.887 -4.709 -2.822
51 HA LYS 8 HA LYS 8 2.299 -5.741 -0.150
52 HB2 LYS 8 HB3 LYS 8 4.780 -4.407 -0.943
53 HB3 LYS 8 HB2 LYS 8 4.004 -3.668 0.451
54 HG2 LYS 8 HG3 LYS 8 4.423 -6.626 0.339
55 HG3 LYS 8 HG2 LYS 8 5.732 -5.544 0.817
56 HD2 LYS 8 HD3 LYS 8 3.008 -5.525 2.103
57 HD3 LYS 8 HD2 LYS 8 4.362 -6.481 2.709
58 HE2 LYS 8 HE3 LYS 8 4.967 -3.651 2.204
59 HE3 LYS 8 HE2 LYS 8 3.789 -3.940 3.484
60 HZ1 LYS 8 HZ1 LYS 8 5.696 -4.091 4.677
61 HZ2 LYS 8 HZ2 LYS 8 6.624 -4.640 3.374
62 HZ3 LYS 8 HZ3 LYS 8 5.593 -5.707 4.186
63 H TRP 9 H TRP 9 0.808 -4.637 0.905
64 HA TRP 9 HA TRP 9 -0.256 -2.185 -0.275
65 HB2 TRP 9 HB3 TRP 9 -1.259 -4.233 1.664
66 HB3 TRP 9 HB2 TRP 9 -1.973 -2.637 1.693
67 HD1 TRP 9 HD1 TRP 9 -2.435 -5.854 0.209
68 HE1 TRP 9 HE1 TRP 9 -3.978 -5.770 -1.854
69 HE3 TRP 9 HE3 TRP 9 -2.431 -0.815 -0.569
70 HZ2 TRP 9 HZ2 TRP 9 -5.052 -3.806 -3.577
71 HZ3 TRP 9 HZ3 TRP 9 -3.741 0.091 -2.442
72 HH2 TRP 9 HH2 TRP 9 -5.026 -1.374 -3.912
73 H THR 10 H THR 10 0.164 -0.217 0.564
74 HA THR 10 HA THR 10 1.122 -0.065 3.345
75 HB THR 10 HB THR 10 2.153 1.895 1.354
76 HG1 THR 10 HG1 THR 10 2.498 -0.087 0.318
77 HG21 THR 10 HG21 THR 10 2.715 1.969 3.798
78 HG22 THR 10 HG22 THR 10 4.092 1.928 2.696
79 HG23 THR 10 HG23 THR 10 3.607 0.467 3.557
80 H TRP 11 H TRP 11 0.477 1.707 4.546
81 HA TRP 11 HA TRP 11 -1.825 3.136 3.476
82 HB2 TRP 11 HB3 TRP 11 -2.004 2.073 5.696
83 HB3 TRP 11 HB2 TRP 11 -0.690 3.094 6.284
84 HD1 TRP 11 HD1 TRP 11 -1.302 5.495 7.089
85 HE1 TRP 11 HE1 TRP 11 -3.508 6.800 7.319
86 HE3 TRP 11 HE3 TRP 11 -4.387 2.346 4.493
87 HZ2 TRP 11 HZ2 TRP 11 -6.198 6.531 6.510
88 HZ3 TRP 11 HZ3 TRP 11 -6.762 2.945 4.269
89 HH2 TRP 11 HH2 TRP 11 -7.648 4.994 5.257
90 H LYS 12 H LYS 12 -1.169 4.803 2.227
91 HA LYS 12 HA LYS 12 -0.209 7.156 3.416
92 HB2 LYS 12 HB3 LYS 12 1.882 5.552 3.203
93 HB3 LYS 12 HB2 LYS 12 1.865 6.113 1.537
94 HG2 LYS 12 HG3 LYS 12 3.272 7.644 2.466
95 HG3 LYS 12 HG2 LYS 12 1.730 8.478 2.673
96 HD2 LYS 12 HD3 LYS 12 1.796 7.047 4.952
97 HD3 LYS 12 HD2 LYS 12 3.526 7.273 4.685
98 HE2 LYS 12 HE3 LYS 12 2.577 9.772 4.190
99 HE3 LYS 12 HE2 LYS 12 1.454 9.217 5.432
100 HZ1 LYS 12 HZ1 LYS 12 3.064 9.970 6.788
101 HZ2 LYS 12 HZ2 LYS 12 4.288 9.820 5.630
102 HZ3 LYS 12 HZ3 LYS 12 3.770 8.461 6.492
Start of MODEL 3
1 H1 SER 1 HT1 SER 1 -6.194 6.606 3.043
2 H2 SER 1 HT2 SER 1 -4.600 6.730 2.419
3 H3 SER 1 HT3 SER 1 -4.956 5.586 3.648
4 HA SER 1 HA SER 1 -6.597 4.627 2.023
5 HB2 SER 1 HB3 SER 1 -6.072 6.805 0.578
6 HB3 SER 1 HB2 SER 1 -4.794 5.774 -0.064
7 HG SER 1 HG SER 1 -7.463 5.708 -0.535
8 H TRP 2 H TRP 2 -5.672 2.971 0.387
9 HA TRP 2 HA TRP 2 -3.157 1.938 1.528
10 HB2 TRP 2 HB3 TRP 2 -5.578 0.570 0.367
11 HB3 TRP 2 HB2 TRP 2 -4.041 -0.267 0.553
12 HD1 TRP 2 HD1 TRP 2 -7.143 0.249 2.388
13 HE1 TRP 2 HE1 TRP 2 -6.827 -0.251 4.897
14 HE3 TRP 2 HE3 TRP 2 -2.058 0.231 2.549
15 HZ2 TRP 2 HZ2 TRP 2 -4.673 -0.596 6.710
16 HZ3 TRP 2 HZ3 TRP 2 -0.938 -0.172 4.685
17 HH2 TRP 2 HH2 TRP 2 -2.214 -0.583 6.733
18 H THR 3 H THR 3 -1.444 1.664 0.261
19 HA THR 3 HA THR 3 -1.794 1.951 -2.650
20 HB THR 3 HB THR 3 -0.533 3.817 -1.867
21 HG1 THR 3 HG1 THR 3 1.376 1.916 -2.742
22 HG21 THR 3 HG21 THR 3 1.767 3.167 -0.717
23 HG22 THR 3 HG22 THR 3 0.775 1.849 -0.094
24 HG23 THR 3 HG23 THR 3 0.309 3.523 0.209
25 H TRP 4 H TRP 4 -1.176 0.273 -3.886
26 HA TRP 4 HA TRP 4 0.167 -1.961 -2.549
27 HB2 TRP 4 HB3 TRP 4 -1.900 -2.620 -3.468
28 HB3 TRP 4 HB2 TRP 4 -1.643 -1.692 -4.936
29 HD1 TRP 4 HD1 TRP 4 -0.164 -2.797 -6.840
30 HE1 TRP 4 HE1 TRP 4 0.462 -5.259 -7.305
31 HE3 TRP 4 HE3 TRP 4 -1.282 -4.776 -2.277
32 HZ2 TRP 4 HZ2 TRP 4 0.471 -7.717 -5.900
33 HZ3 TRP 4 HZ3 TRP 4 -0.935 -7.180 -1.903
34 HH2 TRP 4 HH2 TRP 4 -0.080 -8.623 -3.681
35 H GLU 5 H GLU 5 2.218 -2.474 -3.060
36 HA GLU 5 HA GLU 5 3.299 -1.607 -5.636
37 HB2 GLU 5 HB3 GLU 5 4.284 -0.780 -2.934
38 HB3 GLU 5 HB2 GLU 5 5.427 -0.950 -4.267
39 HG2 GLU 5 HG3 GLU 5 4.530 0.812 -5.438
40 HG3 GLU 5 HG2 GLU 5 2.958 0.677 -4.651
41 H ASN 6 H ASN 6 4.221 -3.251 -6.599
42 HA ASN 6 HA ASN 6 5.134 -5.308 -6.966
43 HB2 ASN 6 HB3 ASN 6 7.011 -3.673 -6.156
44 HB3 ASN 6 HB2 ASN 6 7.053 -4.733 -4.744
45 HD21 ASN 6 HD21 ASN 6 6.956 -4.966 -8.287
46 HD22 ASN 6 HD22 ASN 6 8.115 -6.241 -8.403
47 H GLY 7 H GLY 7 2.949 -5.510 -5.102
48 HA2 GLY 7 HA3 GLY 7 2.151 -7.515 -4.135
49 HA3 GLY 7 HA2 GLY 7 3.802 -8.004 -3.841
50 H LYS 8 H LYS 8 2.900 -4.795 -2.840
51 HA LYS 8 HA LYS 8 2.383 -5.760 -0.127
52 HB2 LYS 8 HB3 LYS 8 4.830 -4.450 -1.019
53 HB3 LYS 8 HB2 LYS 8 4.075 -3.623 0.337
54 HG2 LYS 8 HG3 LYS 8 4.268 -6.547 0.588
55 HG3 LYS 8 HG2 LYS 8 5.801 -5.673 0.586
56 HD2 LYS 8 HD3 LYS 8 5.416 -4.743 2.602
57 HD3 LYS 8 HD2 LYS 8 3.702 -4.487 2.267
58 HE2 LYS 8 HE3 LYS 8 3.525 -7.060 2.511
59 HE3 LYS 8 HE2 LYS 8 5.081 -6.924 3.329
60 HZ1 LYS 8 HZ1 LYS 8 3.072 -6.849 4.799
61 HZ2 LYS 8 HZ2 LYS 8 2.703 -5.344 4.123
62 HZ3 LYS 8 HZ3 LYS 8 4.143 -5.552 4.985
63 H TRP 9 H TRP 9 0.905 -4.650 0.940
64 HA TRP 9 HA TRP 9 -0.218 -2.236 -0.273
65 HB2 TRP 9 HB3 TRP 9 -1.175 -4.273 1.701
66 HB3 TRP 9 HB2 TRP 9 -1.912 -2.687 1.714
67 HD1 TRP 9 HD1 TRP 9 -2.364 -5.929 0.297
68 HE1 TRP 9 HE1 TRP 9 -3.917 -5.897 -1.760
69 HE3 TRP 9 HE3 TRP 9 -2.383 -0.908 -0.593
70 HZ2 TRP 9 HZ2 TRP 9 -5.007 -3.977 -3.521
71 HZ3 TRP 9 HZ3 TRP 9 -3.706 -0.050 -2.480
72 HH2 TRP 9 HH2 TRP 9 -4.993 -1.552 -3.911
73 H THR 10 H THR 10 0.183 -0.250 0.541
74 HA THR 10 HA THR 10 1.162 -0.057 3.313
75 HB THR 10 HB THR 10 2.157 1.936 1.356
76 HG1 THR 10 HG1 THR 10 3.169 -0.711 1.455
77 HG21 THR 10 HG21 THR 10 4.278 1.550 2.597
78 HG22 THR 10 HG22 THR 10 3.397 0.438 3.646
79 HG23 THR 10 HG23 THR 10 2.945 2.142 3.589
80 H TRP 11 H TRP 11 0.544 1.755 4.490
81 HA TRP 11 HA TRP 11 -1.784 3.154 3.411
82 HB2 TRP 11 HB3 TRP 11 -1.986 2.068 5.620
83 HB3 TRP 11 HB2 TRP 11 -0.690 3.096 6.235
84 HD1 TRP 11 HD1 TRP 11 -1.327 5.506 7.013
85 HE1 TRP 11 HE1 TRP 11 -3.552 6.782 7.232
86 HE3 TRP 11 HE3 TRP 11 -4.364 2.300 4.429
87 HZ2 TRP 11 HZ2 TRP 11 -6.236 6.472 6.418
88 HZ3 TRP 11 HZ3 TRP 11 -6.746 2.865 4.196
89 HH2 TRP 11 HH2 TRP 11 -7.662 4.908 5.171
90 H LYS 12 H LYS 12 -1.263 4.921 2.281
91 HA LYS 12 HA LYS 12 -0.205 7.202 3.527
92 HB2 LYS 12 HB3 LYS 12 1.851 5.590 3.039
93 HB3 LYS 12 HB2 LYS 12 1.719 6.301 1.436
94 HG2 LYS 12 HG3 LYS 12 1.754 8.560 2.662
95 HG3 LYS 12 HG2 LYS 12 2.361 7.635 4.036
96 HD2 LYS 12 HD3 LYS 12 4.382 7.316 3.089
97 HD3 LYS 12 HD2 LYS 12 3.701 7.086 1.477
98 HE2 LYS 12 HE3 LYS 12 3.557 9.411 1.098
99 HE3 LYS 12 HE2 LYS 12 3.830 9.782 2.800
100 HZ1 LYS 12 HZ1 LYS 12 5.939 8.292 1.467
101 HZ2 LYS 12 HZ2 LYS 12 6.046 9.557 2.585
102 HZ3 LYS 12 HZ3 LYS 12 5.735 9.893 0.956
Start of MODEL 4
1 H1 SER 1 HT1 SER 1 -5.058 5.512 3.567
2 H2 SER 1 HT2 SER 1 -6.338 6.487 2.968
3 H3 SER 1 HT3 SER 1 -4.755 6.653 2.325
4 HA SER 1 HA SER 1 -6.699 4.498 1.965
5 HB2 SER 1 HB3 SER 1 -5.732 4.921 -0.433
6 HB3 SER 1 HB2 SER 1 -6.872 6.077 0.255
7 HG SER 1 HG SER 1 -4.042 6.309 0.267
8 H TRP 2 H TRP 2 -5.725 2.861 0.317
9 HA TRP 2 HA TRP 2 -3.207 1.872 1.490
10 HB2 TRP 2 HB3 TRP 2 -5.584 0.460 0.291
11 HB3 TRP 2 HB2 TRP 2 -4.035 -0.347 0.501
12 HD1 TRP 2 HD1 TRP 2 -7.177 0.106 2.283
13 HE1 TRP 2 HE1 TRP 2 -6.894 -0.391 4.798
14 HE3 TRP 2 HE3 TRP 2 -2.095 0.188 2.533
15 HZ2 TRP 2 HZ2 TRP 2 -4.765 -0.696 6.646
16 HZ3 TRP 2 HZ3 TRP 2 -1.005 -0.196 4.687
17 HH2 TRP 2 HH2 TRP 2 -2.307 -0.635 6.712
18 H THR 3 H THR 3 -1.473 1.632 0.246
19 HA THR 3 HA THR 3 -1.784 1.938 -2.666
20 HB THR 3 HB THR 3 -0.540 3.798 -1.840
21 HG1 THR 3 HG1 THR 3 1.177 3.578 -3.089
22 HG21 THR 3 HG21 THR 3 0.785 1.802 -0.099
23 HG22 THR 3 HG22 THR 3 0.254 3.446 0.254
24 HG23 THR 3 HG23 THR 3 1.736 3.176 -0.663
25 H TRP 4 H TRP 4 -1.145 0.277 -3.914
26 HA TRP 4 HA TRP 4 0.189 -1.966 -2.587
27 HB2 TRP 4 HB3 TRP 4 -1.878 -2.610 -3.531
28 HB3 TRP 4 HB2 TRP 4 -1.587 -1.694 -5.002
29 HD1 TRP 4 HD1 TRP 4 -0.117 -2.817 -6.873
30 HE1 TRP 4 HE1 TRP 4 0.554 -5.276 -7.300
31 HE3 TRP 4 HE3 TRP 4 -1.212 -4.741 -2.285
32 HZ2 TRP 4 HZ2 TRP 4 0.604 -7.712 -5.852
33 HZ3 TRP 4 HZ3 TRP 4 -0.824 -7.131 -1.868
34 HH2 TRP 4 HH2 TRP 4 0.062 -8.589 -3.619
35 H GLU 5 H GLU 5 2.240 -2.494 -3.107
36 HA GLU 5 HA GLU 5 3.332 -1.558 -5.656
37 HB2 GLU 5 HB3 GLU 5 3.796 -0.097 -3.449
38 HB3 GLU 5 HB2 GLU 5 5.120 -1.254 -3.315
39 HG2 GLU 5 HG3 GLU 5 6.263 -0.308 -4.976
40 HG3 GLU 5 HG2 GLU 5 4.832 -0.143 -5.992
41 H ASN 6 H ASN 6 3.967 -3.326 -6.640
42 HA ASN 6 HA ASN 6 4.808 -5.404 -7.046
43 HB2 ASN 6 HB3 ASN 6 6.782 -3.702 -6.369
44 HB3 ASN 6 HB2 ASN 6 7.047 -4.966 -5.164
45 HD21 ASN 6 HD21 ASN 6 6.570 -4.463 -8.632
46 HD22 ASN 6 HD22 ASN 6 7.587 -5.765 -9.139
47 H GLY 7 H GLY 7 2.845 -5.686 -5.082
48 HA2 GLY 7 HA3 GLY 7 2.242 -7.677 -3.961
49 HA3 GLY 7 HA2 GLY 7 3.936 -8.027 -3.720
50 H LYS 8 H LYS 8 2.844 -4.836 -2.845
51 HA LYS 8 HA LYS 8 2.473 -5.683 -0.074
52 HB2 LYS 8 HB3 LYS 8 4.805 -4.191 -1.100
53 HB3 LYS 8 HB2 LYS 8 4.091 -3.564 0.379
54 HG2 LYS 8 HG3 LYS 8 4.741 -6.470 0.130
55 HG3 LYS 8 HG2 LYS 8 5.998 -5.297 0.526
56 HD2 LYS 8 HD3 LYS 8 5.220 -4.989 2.614
57 HD3 LYS 8 HD2 LYS 8 3.535 -5.009 2.091
58 HE2 LYS 8 HE3 LYS 8 3.775 -6.901 3.463
59 HE3 LYS 8 HE2 LYS 8 3.811 -7.520 1.813
60 HZ1 LYS 8 HZ1 LYS 8 5.549 -8.586 2.946
61 HZ2 LYS 8 HZ2 LYS 8 6.086 -7.157 3.672
62 HZ3 LYS 8 HZ3 LYS 8 6.307 -7.396 2.012
63 H TRP 9 H TRP 9 0.986 -4.582 0.975
64 HA TRP 9 HA TRP 9 -0.195 -2.211 -0.281
65 HB2 TRP 9 HB3 TRP 9 -1.139 -4.263 1.684
66 HB3 TRP 9 HB2 TRP 9 -1.903 -2.690 1.687
67 HD1 TRP 9 HD1 TRP 9 -2.310 -5.938 0.285
68 HE1 TRP 9 HE1 TRP 9 -3.831 -5.933 -1.797
69 HE3 TRP 9 HE3 TRP 9 -2.343 -0.926 -0.652
70 HZ2 TRP 9 HZ2 TRP 9 -4.904 -4.035 -3.592
71 HZ3 TRP 9 HZ3 TRP 9 -3.641 -0.092 -2.567
72 HH2 TRP 9 HH2 TRP 9 -4.897 -1.613 -4.004
73 H THR 10 H THR 10 0.161 -0.216 0.539
74 HA THR 10 HA THR 10 1.110 -0.012 3.321
75 HB THR 10 HB THR 10 2.111 2.067 1.507
76 HG1 THR 10 HG1 THR 10 2.809 -0.644 1.134
77 HG21 THR 10 HG21 THR 10 2.854 1.688 3.870
78 HG22 THR 10 HG22 THR 10 4.144 1.797 2.673
79 HG23 THR 10 HG23 THR 10 3.655 0.224 3.302
80 H TRP 11 H TRP 11 0.550 1.879 4.456
81 HA TRP 11 HA TRP 11 -1.779 3.268 3.328
82 HB2 TRP 11 HB3 TRP 11 -2.129 2.075 5.465
83 HB3 TRP 11 HB2 TRP 11 -0.877 3.069 6.212
84 HD1 TRP 11 HD1 TRP 11 -1.515 5.557 6.867
85 HE1 TRP 11 HE1 TRP 11 -3.768 6.785 7.066
86 HE3 TRP 11 HE3 TRP 11 -4.489 2.211 4.390
87 HZ2 TRP 11 HZ2 TRP 11 -6.449 6.390 6.279
88 HZ3 TRP 11 HZ3 TRP 11 -6.886 2.713 4.159
89 HH2 TRP 11 HH2 TRP 11 -7.844 4.759 5.084
90 H LYS 12 H LYS 12 -1.018 5.001 2.236
91 HA LYS 12 HA LYS 12 -0.101 7.252 3.669
92 HB2 LYS 12 HB3 LYS 12 1.967 5.578 3.267
93 HB3 LYS 12 HB2 LYS 12 2.019 6.463 1.749
94 HG2 LYS 12 HG3 LYS 12 3.333 7.862 2.911
95 HG3 LYS 12 HG2 LYS 12 1.797 8.510 3.490
96 HD2 LYS 12 HD3 LYS 12 2.099 7.701 5.572
97 HD3 LYS 12 HD2 LYS 12 2.811 6.195 4.991
98 HE2 LYS 12 HE3 LYS 12 4.934 7.275 4.641
99 HE3 LYS 12 HE2 LYS 12 4.243 8.848 5.037
100 HZ1 LYS 12 HZ1 LYS 12 3.959 6.783 7.063
101 HZ2 LYS 12 HZ2 LYS 12 4.319 8.427 7.234
102 HZ3 LYS 12 HZ3 LYS 12 5.535 7.337 6.793
Start of MODEL 5
1 H1 SER 1 HT1 SER 1 -4.583 7.024 2.339
2 H2 SER 1 HT2 SER 1 -4.553 6.009 3.722
3 H3 SER 1 HT3 SER 1 -5.960 6.921 3.355
4 HA SER 1 HA SER 1 -6.530 4.868 2.644
5 HB2 SER 1 HB3 SER 1 -5.184 6.100 0.226
6 HB3 SER 1 HB2 SER 1 -6.594 5.041 0.233
7 HG SER 1 HG SER 1 -6.666 7.602 0.245
8 H TRP 2 H TRP 2 -5.845 3.142 0.821
9 HA TRP 2 HA TRP 2 -3.225 2.119 1.708
10 HB2 TRP 2 HB3 TRP 2 -5.780 0.759 0.890
11 HB3 TRP 2 HB2 TRP 2 -4.245 -0.097 0.851
12 HD1 TRP 2 HD1 TRP 2 -7.033 0.491 3.129
13 HE1 TRP 2 HE1 TRP 2 -6.351 -0.015 5.564
14 HE3 TRP 2 HE3 TRP 2 -1.987 0.351 2.514
15 HZ2 TRP 2 HZ2 TRP 2 -3.953 -0.409 7.029
16 HZ3 TRP 2 HZ3 TRP 2 -0.563 -0.074 4.454
17 HH2 TRP 2 HH2 TRP 2 -1.518 -0.454 6.676
18 H THR 3 H THR 3 -1.662 1.804 0.278
19 HA THR 3 HA THR 3 -2.325 1.887 -2.592
20 HB THR 3 HB THR 3 -1.194 3.941 -2.040
21 HG1 THR 3 HG1 THR 3 0.098 3.758 -3.674
22 HG21 THR 3 HG21 THR 3 1.145 3.883 -1.139
23 HG22 THR 3 HG22 THR 3 0.840 2.211 -0.670
24 HG23 THR 3 HG23 THR 3 -0.129 3.512 0.022
25 H TRP 4 H TRP 4 -1.652 0.159 -3.743
26 HA TRP 4 HA TRP 4 -0.132 -1.882 -2.337
27 HB2 TRP 4 HB3 TRP 4 -2.068 -2.705 -3.388
28 HB3 TRP 4 HB2 TRP 4 -1.787 -1.767 -4.844
29 HD1 TRP 4 HD1 TRP 4 0.203 -2.697 -6.485
30 HE1 TRP 4 HE1 TRP 4 0.907 -5.137 -6.953
31 HE3 TRP 4 HE3 TRP 4 -1.810 -4.908 -2.359
32 HZ2 TRP 4 HZ2 TRP 4 0.628 -7.669 -5.715
33 HZ3 TRP 4 HZ3 TRP 4 -1.556 -7.339 -2.064
34 HH2 TRP 4 HH2 TRP 4 -0.359 -8.690 -3.710
35 H GLU 5 H GLU 5 1.969 -2.242 -2.666
36 HA GLU 5 HA GLU 5 3.210 -1.397 -5.175
37 HB2 GLU 5 HB3 GLU 5 3.817 -0.316 -2.467
38 HB3 GLU 5 HB2 GLU 5 5.160 -0.563 -3.583
39 HG2 GLU 5 HG3 GLU 5 4.445 1.062 -5.023
40 HG3 GLU 5 HG2 GLU 5 2.755 0.894 -4.549
41 H ASN 6 H ASN 6 4.947 -2.579 -5.823
42 HA ASN 6 HA ASN 6 6.155 -4.505 -6.054
43 HB2 ASN 6 HB3 ASN 6 7.270 -2.912 -4.192
44 HB3 ASN 6 HB2 ASN 6 7.035 -4.373 -3.229
45 HD21 ASN 6 HD21 ASN 6 7.960 -3.740 -6.599
46 HD22 ASN 6 HD22 ASN 6 9.400 -4.693 -6.560
47 H GLY 7 H GLY 7 3.458 -5.062 -5.284
48 HA2 GLY 7 HA3 GLY 7 2.334 -7.032 -4.841
49 HA3 GLY 7 HA2 GLY 7 3.856 -7.758 -4.374
50 H LYS 8 H LYS 8 2.983 -4.794 -2.807
51 HA LYS 8 HA LYS 8 1.812 -6.228 -0.545
52 HB2 LYS 8 HB3 LYS 8 4.528 -5.474 -0.611
53 HB3 LYS 8 HB2 LYS 8 3.731 -4.346 0.477
54 HG2 LYS 8 HG3 LYS 8 3.356 -7.312 0.717
55 HG3 LYS 8 HG2 LYS 8 4.702 -6.468 1.486
56 HD2 LYS 8 HD3 LYS 8 3.390 -5.601 3.088
57 HD3 LYS 8 HD2 LYS 8 2.100 -5.212 1.948
58 HE2 LYS 8 HE3 LYS 8 1.636 -7.740 1.933
59 HE3 LYS 8 HE2 LYS 8 2.625 -7.789 3.392
60 HZ1 LYS 8 HZ1 LYS 8 -0.000 -7.377 3.408
61 HZ2 LYS 8 HZ2 LYS 8 0.535 -5.774 3.347
62 HZ3 LYS 8 HZ3 LYS 8 1.038 -6.786 4.606
63 H TRP 9 H TRP 9 0.501 -5.013 0.774
64 HA TRP 9 HA TRP 9 -0.432 -2.503 -0.331
65 HB2 TRP 9 HB3 TRP 9 -1.381 -4.416 1.762
66 HB3 TRP 9 HB2 TRP 9 -1.995 -2.782 1.791
67 HD1 TRP 9 HD1 TRP 9 -2.589 -6.026 0.317
68 HE1 TRP 9 HE1 TRP 9 -4.353 -5.915 -1.561
69 HE3 TRP 9 HE3 TRP 9 -2.779 -0.969 -0.272
70 HZ2 TRP 9 HZ2 TRP 9 -5.653 -3.921 -3.082
71 HZ3 TRP 9 HZ3 TRP 9 -4.307 -0.033 -1.955
72 HH2 TRP 9 HH2 TRP 9 -5.716 -1.478 -3.328
73 H THR 10 H THR 10 0.153 -0.538 0.367
74 HA THR 10 HA THR 10 1.346 -0.296 3.047
75 HB THR 10 HB THR 10 2.666 1.655 1.789
76 HG1 THR 10 HG1 THR 10 3.038 1.236 -0.288
77 HG21 THR 10 HG21 THR 10 4.201 -0.558 1.071
78 HG22 THR 10 HG22 THR 10 3.312 -1.043 2.516
79 HG23 THR 10 HG23 THR 10 4.321 0.404 2.545
80 H TRP 11 H TRP 11 0.887 1.571 4.193
81 HA TRP 11 HA TRP 11 -1.448 3.035 3.263
82 HB2 TRP 11 HB3 TRP 11 -1.430 2.167 5.563
83 HB3 TRP 11 HB2 TRP 11 0.004 3.131 5.919
84 HD1 TRP 11 HD1 TRP 11 -0.350 5.661 6.513
85 HE1 TRP 11 HE1 TRP 11 -2.435 7.109 6.933
86 HE3 TRP 11 HE3 TRP 11 -3.934 2.461 4.753
87 HZ2 TRP 11 HZ2 TRP 11 -5.227 6.922 6.569
88 HZ3 TRP 11 HZ3 TRP 11 -6.287 3.175 4.826
89 HH2 TRP 11 HH2 TRP 11 -6.919 5.359 5.716
90 H LYS 12 H LYS 12 -0.887 4.575 1.818
91 HA LYS 12 HA LYS 12 0.271 6.971 2.692
92 HB2 LYS 12 HB3 LYS 12 2.255 5.182 2.295
93 HB3 LYS 12 HB2 LYS 12 2.121 5.847 0.672
94 HG2 LYS 12 HG3 LYS 12 2.555 8.061 1.476
95 HG3 LYS 12 HG2 LYS 12 2.494 7.512 3.152
96 HD2 LYS 12 HD3 LYS 12 4.520 6.357 2.969
97 HD3 LYS 12 HD2 LYS 12 4.461 6.352 1.205
98 HE2 LYS 12 HE3 LYS 12 4.602 8.946 2.681
99 HE3 LYS 12 HE2 LYS 12 6.064 7.985 2.461
100 HZ1 LYS 12 HZ1 LYS 12 6.075 8.338 0.230
101 HZ2 LYS 12 HZ2 LYS 12 5.320 9.774 0.709
102 HZ3 LYS 12 HZ3 LYS 12 4.393 8.491 0.113
Start of MODEL 6
1 H1 SER 1 HT1 SER 1 -4.536 6.791 2.446
2 H2 SER 1 HT2 SER 1 -4.887 5.640 3.670
3 H3 SER 1 HT3 SER 1 -6.125 6.671 3.078
4 HA SER 1 HA SER 1 -6.549 4.704 2.048
5 HB2 SER 1 HB3 SER 1 -4.722 5.913 -0.002
6 HB3 SER 1 HB2 SER 1 -6.365 5.302 -0.194
7 HG SER 1 HG SER 1 -5.522 7.738 0.971
8 H TRP 2 H TRP 2 -5.642 3.046 0.401
9 HA TRP 2 HA TRP 2 -3.137 1.981 1.537
10 HB2 TRP 2 HB3 TRP 2 -5.569 0.642 0.365
11 HB3 TRP 2 HB2 TRP 2 -4.042 -0.210 0.553
12 HD1 TRP 2 HD1 TRP 2 -7.146 0.331 2.379
13 HE1 TRP 2 HE1 TRP 2 -6.843 -0.182 4.888
14 HE3 TRP 2 HE3 TRP 2 -2.062 0.258 2.557
15 HZ2 TRP 2 HZ2 TRP 2 -4.698 -0.557 6.706
16 HZ3 TRP 2 HZ3 TRP 2 -0.953 -0.166 4.694
17 HH2 TRP 2 HH2 TRP 2 -2.238 -0.571 6.736
18 H THR 3 H THR 3 -1.428 1.696 0.268
19 HA THR 3 HA THR 3 -1.774 1.992 -2.642
20 HB THR 3 HB THR 3 -0.515 3.858 -1.770
21 HG1 THR 3 HG1 THR 3 0.583 3.527 -3.522
22 HG21 THR 3 HG21 THR 3 0.747 1.840 -0.090
23 HG22 THR 3 HG22 THR 3 0.565 3.578 0.154
24 HG23 THR 3 HG23 THR 3 1.884 2.960 -0.840
25 H TRP 4 H TRP 4 -1.157 0.316 -3.879
26 HA TRP 4 HA TRP 4 0.167 -1.929 -2.543
27 HB2 TRP 4 HB3 TRP 4 -1.895 -2.566 -3.492
28 HB3 TRP 4 HB2 TRP 4 -1.610 -1.634 -4.953
29 HD1 TRP 4 HD1 TRP 4 -0.114 -2.742 -6.839
30 HE1 TRP 4 HE1 TRP 4 0.498 -5.207 -7.308
31 HE3 TRP 4 HE3 TRP 4 -1.311 -4.732 -2.302
32 HZ2 TRP 4 HZ2 TRP 4 0.469 -7.670 -5.913
33 HZ3 TRP 4 HZ3 TRP 4 -0.988 -7.140 -1.933
34 HH2 TRP 4 HH2 TRP 4 -0.119 -8.582 -3.707
35 H GLU 5 H GLU 5 2.223 -2.451 -3.033
36 HA GLU 5 HA GLU 5 3.340 -1.569 -5.589
37 HB2 GLU 5 HB3 GLU 5 5.430 -0.847 -4.312
38 HB3 GLU 5 HB2 GLU 5 4.029 0.221 -4.242
39 HG2 GLU 5 HG3 GLU 5 3.886 -1.643 -2.088
40 HG3 GLU 5 HG2 GLU 5 5.486 -0.904 -2.108
41 H ASN 6 H ASN 6 4.274 -3.202 -6.557
42 HA ASN 6 HA ASN 6 5.180 -5.260 -6.937
43 HB2 ASN 6 HB3 ASN 6 6.985 -4.220 -4.749
44 HB3 ASN 6 HB2 ASN 6 7.370 -5.582 -5.806
45 HD21 ASN 6 HD21 ASN 6 6.748 -4.868 -8.235
46 HD22 ASN 6 HD22 ASN 6 7.560 -3.425 -8.728
47 H GLY 7 H GLY 7 2.966 -5.470 -5.107
48 HA2 GLY 7 HA3 GLY 7 2.137 -7.480 -4.180
49 HA3 GLY 7 HA2 GLY 7 3.779 -7.989 -3.872
50 H LYS 8 H LYS 8 2.902 -4.786 -2.834
51 HA LYS 8 HA LYS 8 2.342 -5.784 -0.142
52 HB2 LYS 8 HB3 LYS 8 4.693 -5.508 -0.035
53 HB3 LYS 8 HB2 LYS 8 4.630 -3.975 -0.892
54 HG2 LYS 8 HG3 LYS 8 4.034 -2.802 0.959
55 HG3 LYS 8 HG2 LYS 8 3.194 -4.168 1.695
56 HD2 LYS 8 HD3 LYS 8 6.169 -4.222 1.356
57 HD3 LYS 8 HD2 LYS 8 5.441 -3.360 2.713
58 HE2 LYS 8 HE3 LYS 8 5.536 -5.344 3.755
59 HE3 LYS 8 HE2 LYS 8 4.109 -5.733 2.795
60 HZ1 LYS 8 HZ1 LYS 8 6.701 -6.195 1.545
61 HZ2 LYS 8 HZ2 LYS 8 5.276 -7.101 1.448
62 HZ3 LYS 8 HZ3 LYS 8 6.274 -7.238 2.807
63 H TRP 9 H TRP 9 0.877 -4.657 0.939
64 HA TRP 9 HA TRP 9 -0.227 -2.235 -0.276
65 HB2 TRP 9 HB3 TRP 9 -1.208 -4.273 1.684
66 HB3 TRP 9 HB2 TRP 9 -1.928 -2.680 1.710
67 HD1 TRP 9 HD1 TRP 9 -2.406 -5.906 0.260
68 HE1 TRP 9 HE1 TRP 9 -3.958 -5.840 -1.797
69 HE3 TRP 9 HE3 TRP 9 -2.387 -0.876 -0.578
70 HZ2 TRP 9 HZ2 TRP 9 -5.032 -3.893 -3.539
71 HZ3 TRP 9 HZ3 TRP 9 -3.702 0.012 -2.457
72 HH2 TRP 9 HH2 TRP 9 -4.999 -1.465 -3.903
73 H THR 10 H THR 10 0.187 -0.254 0.545
74 HA THR 10 HA THR 10 1.157 -0.075 3.321
75 HB THR 10 HB THR 10 2.177 1.909 1.367
76 HG1 THR 10 HG1 THR 10 2.458 -0.024 0.225
77 HG21 THR 10 HG21 THR 10 2.924 0.867 3.950
78 HG22 THR 10 HG22 THR 10 3.431 2.347 3.136
79 HG23 THR 10 HG23 THR 10 4.272 0.831 2.814
80 H TRP 11 H TRP 11 0.530 1.722 4.505
81 HA TRP 11 HA TRP 11 -1.786 3.133 3.431
82 HB2 TRP 11 HB3 TRP 11 -1.965 2.077 5.654
83 HB3 TRP 11 HB2 TRP 11 -0.655 3.105 6.239
84 HD1 TRP 11 HD1 TRP 11 -1.278 5.502 7.041
85 HE1 TRP 11 HE1 TRP 11 -3.488 6.804 7.258
86 HE3 TRP 11 HE3 TRP 11 -4.345 2.344 4.434
87 HZ2 TRP 11 HZ2 TRP 11 -6.173 6.529 6.435
88 HZ3 TRP 11 HZ3 TRP 11 -6.720 2.939 4.198
89 HH2 TRP 11 HH2 TRP 11 -7.614 4.988 5.178
90 H LYS 12 H LYS 12 -1.141 4.802 2.181
91 HA LYS 12 HA LYS 12 -0.160 7.150 3.381
92 HB2 LYS 12 HB3 LYS 12 1.920 5.536 3.075
93 HB3 LYS 12 HB2 LYS 12 1.858 6.144 1.426
94 HG2 LYS 12 HG3 LYS 12 3.397 7.484 2.646
95 HG3 LYS 12 HG2 LYS 12 1.954 8.457 2.347
96 HD2 LYS 12 HD3 LYS 12 1.303 7.382 4.726
97 HD3 LYS 12 HD2 LYS 12 3.061 7.425 4.884
98 HE2 LYS 12 HE3 LYS 12 2.855 9.859 4.066
99 HE3 LYS 12 HE2 LYS 12 1.147 9.697 4.471
100 HZ1 LYS 12 HZ1 LYS 12 3.107 8.900 6.490
101 HZ2 LYS 12 HZ2 LYS 12 1.584 9.608 6.685
102 HZ3 LYS 12 HZ3 LYS 12 2.901 10.556 6.209
Start of MODEL 7
1 H1 SER 1 HT1 SER 1 -4.850 5.694 3.708
2 H2 SER 1 HT2 SER 1 -6.104 6.719 3.142
3 H3 SER 1 HT3 SER 1 -4.527 6.842 2.477
4 HA SER 1 HA SER 1 -6.548 4.758 2.117
5 HB2 SER 1 HB3 SER 1 -4.837 6.502 0.332
6 HB3 SER 1 HB2 SER 1 -5.811 5.165 -0.278
7 HG SER 1 HG SER 1 -6.575 7.663 0.408
8 H TRP 2 H TRP 2 -5.657 3.109 0.436
9 HA TRP 2 HA TRP 2 -3.155 2.021 1.555
10 HB2 TRP 2 HB3 TRP 2 -5.598 0.706 0.381
11 HB3 TRP 2 HB2 TRP 2 -4.075 -0.157 0.555
12 HD1 TRP 2 HD1 TRP 2 -7.168 0.382 2.397
13 HE1 TRP 2 HE1 TRP 2 -6.860 -0.153 4.900
14 HE3 TRP 2 HE3 TRP 2 -2.084 0.289 2.558
15 HZ2 TRP 2 HZ2 TRP 2 -4.712 -0.550 6.708
16 HZ3 TRP 2 HZ3 TRP 2 -0.970 -0.156 4.690
17 HH2 TRP 2 HH2 TRP 2 -2.252 -0.573 6.732
18 H THR 3 H THR 3 -1.451 1.734 0.281
19 HA THR 3 HA THR 3 -1.805 2.044 -2.627
20 HB THR 3 HB THR 3 -0.556 3.916 -1.730
21 HG1 THR 3 HG1 THR 3 0.205 3.087 -3.698
22 HG21 THR 3 HG21 THR 3 1.874 2.971 -0.879
23 HG22 THR 3 HG22 THR 3 0.723 1.893 -0.090
24 HG23 THR 3 HG23 THR 3 0.601 3.637 0.143
25 H TRP 4 H TRP 4 -1.183 0.374 -3.867
26 HA TRP 4 HA TRP 4 0.142 -1.873 -2.540
27 HB2 TRP 4 HB3 TRP 4 -1.897 -2.519 -3.525
28 HB3 TRP 4 HB2 TRP 4 -1.606 -1.561 -4.967
29 HD1 TRP 4 HD1 TRP 4 -0.056 -2.622 -6.848
30 HE1 TRP 4 HE1 TRP 4 0.577 -5.074 -7.351
31 HE3 TRP 4 HE3 TRP 4 -1.339 -4.707 -2.376
32 HZ2 TRP 4 HZ2 TRP 4 0.528 -7.565 -6.008
33 HZ3 TRP 4 HZ3 TRP 4 -1.014 -7.121 -2.050
34 HH2 TRP 4 HH2 TRP 4 -0.102 -8.523 -3.833
35 H GLU 5 H GLU 5 2.206 -2.387 -3.005
36 HA GLU 5 HA GLU 5 3.358 -1.473 -5.534
37 HB2 GLU 5 HB3 GLU 5 4.787 -1.030 -2.918
38 HB3 GLU 5 HB2 GLU 5 5.244 -0.440 -4.516
39 HG2 GLU 5 HG3 GLU 5 3.457 1.114 -4.548
40 HG3 GLU 5 HG2 GLU 5 2.712 0.388 -3.125
41 H ASN 6 H ASN 6 4.310 -3.090 -6.506
42 HA ASN 6 HA ASN 6 5.228 -5.140 -6.899
43 HB2 ASN 6 HB3 ASN 6 6.970 -3.819 -4.860
44 HB3 ASN 6 HB2 ASN 6 7.351 -5.460 -5.391
45 HD21 ASN 6 HD21 ASN 6 7.409 -5.750 -7.795
46 HD22 ASN 6 HD22 ASN 6 8.145 -4.491 -8.721
47 H GLY 7 H GLY 7 2.989 -5.385 -5.103
48 HA2 GLY 7 HA3 GLY 7 2.159 -7.413 -4.215
49 HA3 GLY 7 HA2 GLY 7 3.800 -7.916 -3.891
50 H LYS 8 H LYS 8 2.884 -4.734 -2.820
51 HA LYS 8 HA LYS 8 2.265 -5.770 -0.157
52 HB2 LYS 8 HB3 LYS 8 4.698 -4.222 -0.891
53 HB3 LYS 8 HB2 LYS 8 3.938 -3.876 0.656
54 HG2 LYS 8 HG3 LYS 8 4.718 -6.650 -0.196
55 HG3 LYS 8 HG2 LYS 8 5.797 -5.570 0.690
56 HD2 LYS 8 HD3 LYS 8 3.037 -6.174 1.698
57 HD3 LYS 8 HD2 LYS 8 4.385 -7.266 2.022
58 HE2 LYS 8 HE3 LYS 8 4.581 -4.334 2.617
59 HE3 LYS 8 HE2 LYS 8 3.826 -5.446 3.758
60 HZ1 LYS 8 HZ1 LYS 8 6.262 -4.992 4.094
61 HZ2 LYS 8 HZ2 LYS 8 6.552 -5.877 2.683
62 HZ3 LYS 8 HZ3 LYS 8 5.828 -6.625 4.015
63 H TRP 9 H TRP 9 0.770 -4.657 0.882
64 HA TRP 9 HA TRP 9 -0.258 -2.191 -0.297
65 HB2 TRP 9 HB3 TRP 9 -1.290 -4.228 1.638
66 HB3 TRP 9 HB2 TRP 9 -1.989 -2.626 1.662
67 HD1 TRP 9 HD1 TRP 9 -2.468 -5.841 0.177
68 HE1 TRP 9 HE1 TRP 9 -4.001 -5.746 -1.894
69 HE3 TRP 9 HE3 TRP 9 -2.425 -0.802 -0.600
70 HZ2 TRP 9 HZ2 TRP 9 -5.053 -3.775 -3.622
71 HZ3 TRP 9 HZ3 TRP 9 -3.719 0.113 -2.480
72 HH2 TRP 9 HH2 TRP 9 -5.008 -1.342 -3.956
73 H THR 10 H THR 10 0.176 -0.225 0.544
74 HA THR 10 HA THR 10 1.120 -0.083 3.331
75 HB THR 10 HB THR 10 2.179 1.814 1.274
76 HG1 THR 10 HG1 THR 10 3.843 0.380 0.819
77 HG21 THR 10 HG21 THR 10 3.666 0.586 3.560
78 HG22 THR 10 HG22 THR 10 2.617 1.986 3.787
79 HG23 THR 10 HG23 THR 10 3.996 2.086 2.692
80 H TRP 11 H TRP 11 0.525 1.728 4.518
81 HA TRP 11 HA TRP 11 -1.764 3.180 3.435
82 HB2 TRP 11 HB3 TRP 11 -1.984 2.100 5.645
83 HB3 TRP 11 HB2 TRP 11 -0.669 3.105 6.257
84 HD1 TRP 11 HD1 TRP 11 -1.257 5.539 7.012
85 HE1 TRP 11 HE1 TRP 11 -3.460 6.850 7.239
86 HE3 TRP 11 HE3 TRP 11 -4.365 2.356 4.484
87 HZ2 TRP 11 HZ2 TRP 11 -6.156 6.574 6.452
88 HZ3 TRP 11 HZ3 TRP 11 -6.741 2.956 4.268
89 HH2 TRP 11 HH2 TRP 11 -7.616 5.021 5.232
90 H LYS 12 H LYS 12 -1.067 4.849 2.209
91 HA LYS 12 HA LYS 12 -0.032 7.155 3.466
92 HB2 LYS 12 HB3 LYS 12 2.001 5.504 3.077
93 HB3 LYS 12 HB2 LYS 12 1.919 6.149 1.443
94 HG2 LYS 12 HG3 LYS 12 2.001 8.453 2.533
95 HG3 LYS 12 HG2 LYS 12 2.490 7.604 4.001
96 HD2 LYS 12 HD3 LYS 12 4.228 6.484 2.366
97 HD3 LYS 12 HD2 LYS 12 3.947 7.949 1.425
98 HE2 LYS 12 HE3 LYS 12 5.809 8.379 2.833
99 HE3 LYS 12 HE2 LYS 12 4.440 9.261 3.508
100 HZ1 LYS 12 HZ1 LYS 12 5.238 8.282 5.379
101 HZ2 LYS 12 HZ2 LYS 12 5.857 6.933 4.568
102 HZ3 LYS 12 HZ3 LYS 12 4.198 7.045 4.878
Start of MODEL 8
1 H1 SER 1 HT1 SER 1 -4.511 6.839 2.440
2 H2 SER 1 HT2 SER 1 -4.856 5.689 3.666
3 H3 SER 1 HT3 SER 1 -6.095 6.724 3.084
4 HA SER 1 HA SER 1 -6.536 4.764 2.052
5 HB2 SER 1 HB3 SER 1 -5.415 5.221 -0.336
6 HB3 SER 1 HB2 SER 1 -6.698 6.247 0.304
7 HG SER 1 HG SER 1 -3.904 6.729 0.433
8 H TRP 2 H TRP 2 -5.635 3.109 0.387
9 HA TRP 2 HA TRP 2 -3.146 2.015 1.529
10 HB2 TRP 2 HB3 TRP 2 -5.582 0.704 0.335
11 HB3 TRP 2 HB2 TRP 2 -4.063 -0.162 0.526
12 HD1 TRP 2 HD1 TRP 2 -7.171 0.393 2.340
13 HE1 TRP 2 HE1 TRP 2 -6.886 -0.139 4.847
14 HE3 TRP 2 HE3 TRP 2 -2.089 0.276 2.542
15 HZ2 TRP 2 HZ2 TRP 2 -4.754 -0.545 6.672
16 HZ3 TRP 2 HZ3 TRP 2 -0.995 -0.171 4.682
17 HH2 TRP 2 HH2 TRP 2 -2.294 -0.580 6.715
18 H THR 3 H THR 3 -1.432 1.722 0.268
19 HA THR 3 HA THR 3 -1.760 2.036 -2.643
20 HB THR 3 HB THR 3 -0.501 3.890 -1.673
21 HG1 THR 3 HG1 THR 3 0.241 3.297 -3.667
22 HG21 THR 3 HG21 THR 3 0.825 3.620 0.069
23 HG22 THR 3 HG22 THR 3 1.945 2.725 -0.958
24 HG23 THR 3 HG23 THR 3 0.696 1.866 -0.056
25 H TRP 4 H TRP 4 -1.141 0.363 -3.882
26 HA TRP 4 HA TRP 4 0.172 -1.890 -2.549
27 HB2 TRP 4 HB3 TRP 4 -1.883 -2.528 -3.509
28 HB3 TRP 4 HB2 TRP 4 -1.598 -1.584 -4.962
29 HD1 TRP 4 HD1 TRP 4 -0.087 -2.675 -6.851
30 HE1 TRP 4 HE1 TRP 4 0.527 -5.135 -7.338
31 HE3 TRP 4 HE3 TRP 4 -1.312 -4.705 -2.339
32 HZ2 TRP 4 HZ2 TRP 4 0.486 -7.612 -5.966
33 HZ3 TRP 4 HZ3 TRP 4 -0.993 -7.117 -1.991
34 HH2 TRP 4 HH2 TRP 4 -0.116 -8.543 -3.771
35 H GLU 5 H GLU 5 2.228 -2.417 -3.033
36 HA GLU 5 HA GLU 5 3.357 -1.528 -5.582
37 HB2 GLU 5 HB3 GLU 5 3.790 0.096 -3.599
38 HB3 GLU 5 HB2 GLU 5 4.948 -1.126 -3.074
39 HG2 GLU 5 HG3 GLU 5 6.111 0.535 -4.327
40 HG3 GLU 5 HG2 GLU 5 6.057 -0.946 -5.283
41 H ASN 6 H ASN 6 4.285 -3.163 -6.552
42 HA ASN 6 HA ASN 6 5.187 -5.222 -6.934
43 HB2 ASN 6 HB3 ASN 6 6.965 -3.915 -4.910
44 HB3 ASN 6 HB2 ASN 6 7.333 -5.544 -5.483
45 HD21 ASN 6 HD21 ASN 6 7.005 -5.652 -8.010
46 HD22 ASN 6 HD22 ASN 6 7.857 -4.424 -8.877
47 H GLY 7 H GLY 7 2.969 -5.435 -5.109
48 HA2 GLY 7 HA3 GLY 7 2.140 -7.447 -4.187
49 HA3 GLY 7 HA2 GLY 7 3.782 -7.955 -3.875
50 H LYS 8 H LYS 8 2.893 -4.755 -2.835
51 HA LYS 8 HA LYS 8 2.316 -5.758 -0.149
52 HB2 LYS 8 HB3 LYS 8 4.844 -4.712 -0.930
53 HB3 LYS 8 HB2 LYS 8 4.096 -3.554 0.162
54 HG2 LYS 8 HG3 LYS 8 3.706 -6.132 1.261
55 HG3 LYS 8 HG2 LYS 8 5.397 -6.005 0.774
56 HD2 LYS 8 HD3 LYS 8 5.862 -4.433 2.332
57 HD3 LYS 8 HD2 LYS 8 4.286 -3.656 2.168
58 HE2 LYS 8 HE3 LYS 8 3.964 -4.541 4.223
59 HE3 LYS 8 HE2 LYS 8 3.524 -5.968 3.286
60 HZ1 LYS 8 HZ1 LYS 8 5.439 -7.034 3.832
61 HZ2 LYS 8 HZ2 LYS 8 5.278 -6.081 5.220
62 HZ3 LYS 8 HZ3 LYS 8 6.341 -5.611 3.991
63 H TRP 9 H TRP 9 0.833 -4.646 0.909
64 HA TRP 9 HA TRP 9 -0.241 -2.204 -0.287
65 HB2 TRP 9 HB3 TRP 9 -1.244 -4.252 1.651
66 HB3 TRP 9 HB2 TRP 9 -1.958 -2.656 1.684
67 HD1 TRP 9 HD1 TRP 9 -2.435 -5.869 0.204
68 HE1 TRP 9 HE1 TRP 9 -3.975 -5.781 -1.863
69 HE3 TRP 9 HE3 TRP 9 -2.401 -0.831 -0.588
70 HZ2 TRP 9 HZ2 TRP 9 -5.034 -3.816 -3.593
71 HZ3 TRP 9 HZ3 TRP 9 -3.702 0.077 -2.467
72 HH2 TRP 9 HH2 TRP 9 -4.994 -1.384 -3.935
73 H THR 10 H THR 10 0.173 -0.232 0.550
74 HA THR 10 HA THR 10 1.130 -0.077 3.332
75 HB THR 10 HB THR 10 2.163 1.924 1.405
76 HG1 THR 10 HG1 THR 10 3.573 0.579 0.466
77 HG21 THR 10 HG21 THR 10 2.765 1.732 3.878
78 HG22 THR 10 HG22 THR 10 4.081 1.922 2.718
79 HG23 THR 10 HG23 THR 10 3.726 0.333 3.398
80 H TRP 11 H TRP 11 0.580 1.786 4.499
81 HA TRP 11 HA TRP 11 -1.740 3.205 3.416
82 HB2 TRP 11 HB3 TRP 11 -1.995 2.097 5.606
83 HB3 TRP 11 HB2 TRP 11 -0.689 3.091 6.253
84 HD1 TRP 11 HD1 TRP 11 -1.287 5.513 7.039
85 HE1 TRP 11 HE1 TRP 11 -3.491 6.824 7.251
86 HE3 TRP 11 HE3 TRP 11 -4.358 2.376 4.410
87 HZ2 TRP 11 HZ2 TRP 11 -6.174 6.565 6.416
88 HZ3 TRP 11 HZ3 TRP 11 -6.729 2.984 4.165
89 HH2 TRP 11 HH2 TRP 11 -7.617 5.034 5.148
90 H LYS 12 H LYS 12 -1.117 4.941 2.275
91 HA LYS 12 HA LYS 12 0.031 7.169 3.616
92 HB2 LYS 12 HB3 LYS 12 1.984 5.526 2.897
93 HB3 LYS 12 HB2 LYS 12 1.751 6.304 1.337
94 HG2 LYS 12 HG3 LYS 12 1.849 8.456 2.986
95 HG3 LYS 12 HG2 LYS 12 2.942 7.339 3.806
96 HD2 LYS 12 HD3 LYS 12 3.812 7.020 1.298
97 HD3 LYS 12 HD2 LYS 12 3.203 8.671 1.173
98 HE2 LYS 12 HE3 LYS 12 4.562 8.812 3.507
99 HE3 LYS 12 HE2 LYS 12 5.521 7.608 2.646
100 HZ1 LYS 12 HZ1 LYS 12 6.177 9.107 1.090
101 HZ2 LYS 12 HZ2 LYS 12 5.968 10.172 2.387
102 HZ3 LYS 12 HZ3 LYS 12 4.768 10.038 1.202
Start of MODEL 9
1 H1 SER 1 HT1 SER 1 -4.397 6.896 2.563
2 H2 SER 1 HT2 SER 1 -4.774 5.728 3.763
3 H3 SER 1 HT3 SER 1 -5.987 6.801 3.194
4 HA SER 1 HA SER 1 -6.462 4.872 2.119
5 HB2 SER 1 HB3 SER 1 -5.724 7.086 0.732
6 HB3 SER 1 HB2 SER 1 -4.654 5.888 0.003
7 HG SER 1 HG SER 1 -7.222 6.283 -0.483
8 H TRP 2 H TRP 2 -5.607 3.212 0.459
9 HA TRP 2 HA TRP 2 -3.128 2.063 1.566
10 HB2 TRP 2 HB3 TRP 2 -5.600 0.804 0.389
11 HB3 TRP 2 HB2 TRP 2 -4.096 -0.091 0.564
12 HD1 TRP 2 HD1 TRP 2 -7.179 0.516 2.405
13 HE1 TRP 2 HE1 TRP 2 -6.884 -0.030 4.908
14 HE3 TRP 2 HE3 TRP 2 -2.100 0.300 2.566
15 HZ2 TRP 2 HZ2 TRP 2 -4.746 -0.483 6.715
16 HZ3 TRP 2 HZ3 TRP 2 -0.996 -0.174 4.696
17 HH2 TRP 2 HH2 TRP 2 -2.288 -0.564 6.739
18 H THR 3 H THR 3 -1.433 1.745 0.284
19 HA THR 3 HA THR 3 -1.793 2.060 -2.623
20 HB THR 3 HB THR 3 0.656 2.792 -2.567
21 HG1 THR 3 HG1 THR 3 1.477 3.431 -0.633
22 HG21 THR 3 HG21 THR 3 -0.227 4.791 -2.860
23 HG22 THR 3 HG22 THR 3 -0.328 4.977 -1.109
24 HG23 THR 3 HG23 THR 3 -1.692 4.308 -2.005
25 H TRP 4 H TRP 4 -1.178 0.387 -3.859
26 HA TRP 4 HA TRP 4 0.143 -1.863 -2.533
27 HB2 TRP 4 HB3 TRP 4 -1.892 -2.507 -3.528
28 HB3 TRP 4 HB2 TRP 4 -1.598 -1.544 -4.966
29 HD1 TRP 4 HD1 TRP 4 -0.038 -2.598 -6.845
30 HE1 TRP 4 HE1 TRP 4 0.596 -5.048 -7.355
31 HE3 TRP 4 HE3 TRP 4 -1.341 -4.700 -2.387
32 HZ2 TRP 4 HZ2 TRP 4 0.541 -7.544 -6.021
33 HZ3 TRP 4 HZ3 TRP 4 -1.018 -7.115 -2.068
34 HH2 TRP 4 HH2 TRP 4 -0.099 -8.511 -3.852
35 H GLU 5 H GLU 5 2.208 -2.380 -2.994
36 HA GLU 5 HA GLU 5 3.368 -1.459 -5.518
37 HB2 GLU 5 HB3 GLU 5 3.760 0.065 -3.372
38 HB3 GLU 5 HB2 GLU 5 5.042 -1.111 -3.086
39 HG2 GLU 5 HG3 GLU 5 5.855 0.848 -4.286
40 HG3 GLU 5 HG2 GLU 5 6.011 -0.619 -5.251
41 H ASN 6 H ASN 6 4.322 -3.071 -6.495
42 HA ASN 6 HA ASN 6 5.240 -5.118 -6.896
43 HB2 ASN 6 HB3 ASN 6 7.054 -3.463 -5.777
44 HB3 ASN 6 HB2 ASN 6 7.134 -4.818 -4.647
45 HD21 ASN 6 HD21 ASN 6 6.841 -6.986 -6.152
46 HD22 ASN 6 HD22 ASN 6 8.092 -7.105 -7.337
47 H GLY 7 H GLY 7 2.997 -5.374 -5.106
48 HA2 GLY 7 HA3 GLY 7 2.166 -7.406 -4.230
49 HA3 GLY 7 HA2 GLY 7 3.806 -7.912 -3.908
50 H LYS 8 H LYS 8 2.890 -4.736 -2.820
51 HA LYS 8 HA LYS 8 2.264 -5.785 -0.165
52 HB2 LYS 8 HB3 LYS 8 4.822 -4.757 -0.877
53 HB3 LYS 8 HB2 LYS 8 4.070 -3.619 0.232
54 HG2 LYS 8 HG3 LYS 8 3.939 -6.488 0.948
55 HG3 LYS 8 HG2 LYS 8 5.510 -5.692 1.057
56 HD2 LYS 8 HD3 LYS 8 4.807 -5.109 3.114
57 HD3 LYS 8 HD2 LYS 8 3.915 -3.853 2.253
58 HE2 LYS 8 HE3 LYS 8 1.908 -4.905 2.514
59 HE3 LYS 8 HE2 LYS 8 2.630 -6.513 2.529
60 HZ1 LYS 8 HZ1 LYS 8 2.150 -4.676 4.725
61 HZ2 LYS 8 HZ2 LYS 8 3.623 -5.506 4.780
62 HZ3 LYS 8 HZ3 LYS 8 2.169 -6.368 4.712
63 H TRP 9 H TRP 9 0.772 -4.675 0.879
64 HA TRP 9 HA TRP 9 -0.258 -2.208 -0.294
65 HB2 TRP 9 HB3 TRP 9 -1.285 -4.256 1.630
66 HB3 TRP 9 HB2 TRP 9 -1.980 -2.652 1.679
67 HD1 TRP 9 HD1 TRP 9 -2.459 -5.847 0.143
68 HE1 TRP 9 HE1 TRP 9 -4.011 -5.723 -1.912
69 HE3 TRP 9 HE3 TRP 9 -2.453 -0.794 -0.539
70 HZ2 TRP 9 HZ2 TRP 9 -5.090 -3.725 -3.592
71 HZ3 TRP 9 HZ3 TRP 9 -3.770 0.148 -2.389
72 HH2 TRP 9 HH2 TRP 9 -5.063 -1.286 -3.881
73 H THR 10 H THR 10 0.172 -0.243 0.549
74 HA THR 10 HA THR 10 1.141 -0.104 3.328
75 HB THR 10 HB THR 10 2.145 1.739 1.173
76 HG1 THR 10 HG1 THR 10 3.290 -0.731 1.968
77 HG21 THR 10 HG21 THR 10 3.310 0.872 3.807
78 HG22 THR 10 HG22 THR 10 2.611 2.447 3.433
79 HG23 THR 10 HG23 THR 10 4.097 1.930 2.636
80 H TRP 11 H TRP 11 0.555 1.713 4.525
81 HA TRP 11 HA TRP 11 -1.794 3.105 3.504
82 HB2 TRP 11 HB3 TRP 11 -1.920 2.069 5.734
83 HB3 TRP 11 HB2 TRP 11 -0.586 3.088 6.281
84 HD1 TRP 11 HD1 TRP 11 -1.191 5.431 7.195
85 HE1 TRP 11 HE1 TRP 11 -3.373 6.773 7.436
86 HE3 TRP 11 HE3 TRP 11 -4.300 2.437 4.446
87 HZ2 TRP 11 HZ2 TRP 11 -6.054 6.589 6.577
88 HZ3 TRP 11 HZ3 TRP 11 -6.658 3.094 4.207
89 HH2 TRP 11 HH2 TRP 11 -7.516 5.127 5.251
90 H LYS 12 H LYS 12 -1.186 4.763 2.221
91 HA LYS 12 HA LYS 12 -0.138 7.110 3.398
92 HB2 LYS 12 HB3 LYS 12 1.898 5.483 2.921
93 HB3 LYS 12 HB2 LYS 12 1.721 6.111 1.288
94 HG2 LYS 12 HG3 LYS 12 1.664 8.272 3.170
95 HG3 LYS 12 HG2 LYS 12 3.091 7.270 3.441
96 HD2 LYS 12 HD3 LYS 12 3.559 9.061 1.846
97 HD3 LYS 12 HD2 LYS 12 3.688 7.477 1.078
98 HE2 LYS 12 HE3 LYS 12 1.471 7.741 0.116
99 HE3 LYS 12 HE2 LYS 12 1.285 9.295 0.930
100 HZ1 LYS 12 HZ1 LYS 12 2.635 10.329 -0.539
101 HZ2 LYS 12 HZ2 LYS 12 2.121 9.083 -1.560
102 HZ3 LYS 12 HZ3 LYS 12 3.621 8.976 -0.785
Start of MODEL 10
1 H1 SER 1 HT1 SER 1 -5.986 6.772 3.170
2 H2 SER 1 HT2 SER 1 -4.410 6.861 2.496
3 H3 SER 1 HT3 SER 1 -4.754 5.722 3.732
4 HA SER 1 HA SER 1 -6.472 4.813 2.154
5 HB2 SER 1 HB3 SER 1 -5.736 5.211 -0.250
6 HB3 SER 1 HB2 SER 1 -6.517 6.579 0.544
7 HG SER 1 HG SER 1 -4.633 7.624 0.643
8 H TRP 2 H TRP 2 -5.625 3.146 0.472
9 HA TRP 2 HA TRP 2 -3.124 2.027 1.561
10 HB2 TRP 2 HB3 TRP 2 -5.597 0.739 0.418
11 HB3 TRP 2 HB2 TRP 2 -4.083 -0.143 0.584
12 HD1 TRP 2 HD1 TRP 2 -7.154 0.447 2.449
13 HE1 TRP 2 HE1 TRP 2 -6.831 -0.080 4.952
14 HE3 TRP 2 HE3 TRP 2 -2.070 0.287 2.568
15 HZ2 TRP 2 HZ2 TRP 2 -4.673 -0.497 6.744
16 HZ3 TRP 2 HZ3 TRP 2 -0.944 -0.162 4.691
17 HH2 TRP 2 HH2 TRP 2 -2.214 -0.552 6.747
18 H THR 3 H THR 3 -1.441 1.706 0.263
19 HA THR 3 HA THR 3 -1.835 1.997 -2.642
20 HB THR 3 HB THR 3 -0.590 3.890 -1.810
21 HG1 THR 3 HG1 THR 3 0.444 3.531 -3.601
22 HG21 THR 3 HG21 THR 3 0.755 1.900 -0.153
23 HG22 THR 3 HG22 THR 3 0.518 3.628 0.105
24 HG23 THR 3 HG23 THR 3 1.838 3.062 -0.919
25 H TRP 4 H TRP 4 -1.217 0.320 -3.871
26 HA TRP 4 HA TRP 4 0.119 -1.915 -2.541
27 HB2 TRP 4 HB3 TRP 4 -1.904 -2.568 -3.553
28 HB3 TRP 4 HB2 TRP 4 -1.601 -1.602 -4.988
29 HD1 TRP 4 HD1 TRP 4 -0.015 -2.644 -6.852
30 HE1 TRP 4 HE1 TRP 4 0.633 -5.091 -7.360
31 HE3 TRP 4 HE3 TRP 4 -1.361 -4.763 -2.412
32 HZ2 TRP 4 HZ2 TRP 4 0.573 -7.590 -6.034
33 HZ3 TRP 4 HZ3 TRP 4 -1.032 -7.178 -2.098
34 HH2 TRP 4 HH2 TRP 4 -0.088 -8.565 -3.876
35 H GLU 5 H GLU 5 2.193 -2.421 -2.984
36 HA GLU 5 HA GLU 5 3.369 -1.491 -5.497
37 HB2 GLU 5 HB3 GLU 5 4.190 -0.681 -2.749
38 HB3 GLU 5 HB2 GLU 5 5.446 -0.909 -3.966
39 HG2 GLU 5 HG3 GLU 5 4.124 0.665 -5.434
40 HG3 GLU 5 HG2 GLU 5 3.153 1.030 -4.009
41 H ASN 6 H ASN 6 4.346 -3.093 -6.468
42 HA ASN 6 HA ASN 6 5.280 -5.134 -6.866
43 HB2 ASN 6 HB3 ASN 6 7.137 -3.567 -6.013
44 HB3 ASN 6 HB2 ASN 6 7.077 -4.531 -4.535
45 HD21 ASN 6 HD21 ASN 6 7.282 -4.924 -8.053
46 HD22 ASN 6 HD22 ASN 6 8.396 -6.243 -8.013
47 H GLY 7 H GLY 7 3.017 -5.405 -5.099
48 HA2 GLY 7 HA3 GLY 7 2.185 -7.444 -4.240
49 HA3 GLY 7 HA2 GLY 7 3.824 -7.946 -3.906
50 H LYS 8 H LYS 8 2.890 -4.779 -2.810
51 HA LYS 8 HA LYS 8 2.231 -5.837 -0.169
52 HB2 LYS 8 HB3 LYS 8 4.577 -4.027 -0.725
53 HB3 LYS 8 HB2 LYS 8 3.894 -4.255 0.879
54 HG2 LYS 8 HG3 LYS 8 4.966 -6.491 -0.824
55 HG3 LYS 8 HG2 LYS 8 5.903 -5.639 0.405
56 HD2 LYS 8 HD3 LYS 8 3.321 -7.109 0.926
57 HD3 LYS 8 HD2 LYS 8 4.930 -7.775 1.211
58 HE2 LYS 8 HE3 LYS 8 5.310 -5.695 2.668
59 HE3 LYS 8 HE2 LYS 8 3.559 -5.501 2.609
60 HZ1 LYS 8 HZ1 LYS 8 3.681 -8.030 3.312
61 HZ2 LYS 8 HZ2 LYS 8 3.724 -6.781 4.452
62 HZ3 LYS 8 HZ3 LYS 8 5.160 -7.529 3.964
63 H TRP 9 H TRP 9 0.729 -4.720 0.853
64 HA TRP 9 HA TRP 9 -0.261 -2.240 -0.317
65 HB2 TRP 9 HB3 TRP 9 -1.310 -4.263 1.624
66 HB3 TRP 9 HB2 TRP 9 -1.991 -2.653 1.651
67 HD1 TRP 9 HD1 TRP 9 -2.481 -5.863 0.144
68 HE1 TRP 9 HE1 TRP 9 -4.030 -5.750 -1.914
69 HE3 TRP 9 HE3 TRP 9 -2.454 -0.817 -0.578
70 HZ2 TRP 9 HZ2 TRP 9 -5.099 -3.761 -3.612
71 HZ3 TRP 9 HZ3 TRP 9 -3.764 0.116 -2.437
72 HH2 TRP 9 HH2 TRP 9 -5.061 -1.325 -3.920
73 H THR 10 H THR 10 0.192 -0.276 0.515
74 HA THR 10 HA THR 10 1.146 -0.130 3.298
75 HB THR 10 HB THR 10 2.217 1.806 1.306
76 HG1 THR 10 HG1 THR 10 3.136 0.313 0.187
77 HG21 THR 10 HG21 THR 10 3.242 2.315 3.237
78 HG22 THR 10 HG22 THR 10 4.318 1.002 2.758
79 HG23 THR 10 HG23 THR 10 3.017 0.700 3.910
80 H TRP 11 H TRP 11 0.529 1.654 4.492
81 HA TRP 11 HA TRP 11 -1.764 3.098 3.437
82 HB2 TRP 11 HB3 TRP 11 -1.900 2.095 5.685
83 HB3 TRP 11 HB2 TRP 11 -0.558 3.111 6.215
84 HD1 TRP 11 HD1 TRP 11 -1.121 5.523 7.005
85 HE1 TRP 11 HE1 TRP 11 -3.300 6.870 7.252
86 HE3 TRP 11 HE3 TRP 11 -4.304 2.394 4.502
87 HZ2 TRP 11 HZ2 TRP 11 -6.006 6.639 6.489
88 HZ3 TRP 11 HZ3 TRP 11 -6.671 3.034 4.308
89 HH2 TRP 11 HH2 TRP 11 -7.503 5.112 5.282
90 H LYS 12 H LYS 12 -1.128 4.728 2.130
91 HA LYS 12 HA LYS 12 -0.120 7.102 3.234
92 HB2 LYS 12 HB3 LYS 12 1.942 5.410 2.929
93 HB3 LYS 12 HB2 LYS 12 1.908 6.099 1.311
94 HG2 LYS 12 HG3 LYS 12 2.560 8.159 2.021
95 HG3 LYS 12 HG2 LYS 12 1.811 7.972 3.608
96 HD2 LYS 12 HD3 LYS 12 4.243 7.982 3.789
97 HD3 LYS 12 HD2 LYS 12 3.585 6.414 4.260
98 HE2 LYS 12 HE3 LYS 12 4.278 6.675 1.415
99 HE3 LYS 12 HE2 LYS 12 5.644 6.766 2.526
100 HZ1 LYS 12 HZ1 LYS 12 5.411 4.512 2.023
101 HZ2 LYS 12 HZ2 LYS 12 3.726 4.545 2.162
102 HZ3 LYS 12 HZ3 LYS 12 4.690 4.666 3.546
Start of MODEL 11
1 H1 SER 1 HT1 SER 1 -4.672 6.785 2.496
2 H2 SER 1 HT2 SER 1 -4.938 5.639 3.745
3 H3 SER 1 HT3 SER 1 -6.230 6.623 3.191
4 HA SER 1 HA SER 1 -6.639 4.642 2.192
5 HB2 SER 1 HB3 SER 1 -6.268 6.778 0.700
6 HB3 SER 1 HB2 SER 1 -4.897 5.862 0.074
7 HG SER 1 HG SER 1 -6.222 4.547 -0.918
8 H TRP 2 H TRP 2 -5.718 3.013 0.496
9 HA TRP 2 HA TRP 2 -3.189 1.984 1.608
10 HB2 TRP 2 HB3 TRP 2 -5.607 0.615 0.446
11 HB3 TRP 2 HB2 TRP 2 -4.064 -0.215 0.608
12 HD1 TRP 2 HD1 TRP 2 -7.155 0.250 2.471
13 HE1 TRP 2 HE1 TRP 2 -6.817 -0.280 4.972
14 HE3 TRP 2 HE3 TRP 2 -2.067 0.279 2.600
15 HZ2 TRP 2 HZ2 TRP 2 -4.648 -0.628 6.765
16 HZ3 TRP 2 HZ3 TRP 2 -0.930 -0.141 4.723
17 HH2 TRP 2 HH2 TRP 2 -2.188 -0.592 6.773
18 H THR 3 H THR 3 -1.481 1.735 0.328
19 HA THR 3 HA THR 3 -1.850 2.050 -2.577
20 HB THR 3 HB THR 3 0.319 3.073 -2.697
21 HG1 THR 3 HG1 THR 3 1.519 1.998 -1.222
22 HG21 THR 3 HG21 THR 3 -0.465 4.472 -0.248
23 HG22 THR 3 HG22 THR 3 -1.734 4.326 -1.464
24 HG23 THR 3 HG23 THR 3 -0.198 5.086 -1.879
25 H TRP 4 H TRP 4 -1.223 0.389 -3.832
26 HA TRP 4 HA TRP 4 0.128 -1.853 -2.520
27 HB2 TRP 4 HB3 TRP 4 -1.914 -2.516 -3.489
28 HB3 TRP 4 HB2 TRP 4 -1.643 -1.554 -4.933
29 HD1 TRP 4 HD1 TRP 4 -0.065 -2.594 -6.814
30 HE1 TRP 4 HE1 TRP 4 0.581 -5.040 -7.326
31 HE3 TRP 4 HE3 TRP 4 -1.367 -4.707 -2.360
32 HZ2 TRP 4 HZ2 TRP 4 0.534 -7.538 -5.995
33 HZ3 TRP 4 HZ3 TRP 4 -1.034 -7.122 -2.045
34 HH2 TRP 4 HH2 TRP 4 -0.106 -8.511 -3.830
35 H GLU 5 H GLU 5 2.190 -2.350 -3.002
36 HA GLU 5 HA GLU 5 3.314 -1.431 -5.542
37 HB2 GLU 5 HB3 GLU 5 3.719 0.174 -3.524
38 HB3 GLU 5 HB2 GLU 5 4.914 -1.031 -3.043
39 HG2 GLU 5 HG3 GLU 5 5.956 -0.781 -5.295
40 HG3 GLU 5 HG2 GLU 5 4.847 0.555 -5.599
41 H ASN 6 H ASN 6 4.274 -3.045 -6.518
42 HA ASN 6 HA ASN 6 5.205 -5.089 -6.909
43 HB2 ASN 6 HB3 ASN 6 6.944 -3.670 -4.962
44 HB3 ASN 6 HB2 ASN 6 7.321 -5.360 -5.309
45 HD21 ASN 6 HD21 ASN 6 6.062 -2.768 -7.368
46 HD22 ASN 6 HD22 ASN 6 7.339 -2.835 -8.529
47 H GLY 7 H GLY 7 2.976 -5.347 -5.099
48 HA2 GLY 7 HA3 GLY 7 2.167 -7.381 -4.208
49 HA3 GLY 7 HA2 GLY 7 3.813 -7.873 -3.895
50 H LYS 8 H LYS 8 2.874 -4.703 -2.791
51 HA LYS 8 HA LYS 8 2.236 -5.766 -0.149
52 HB2 LYS 8 HB3 LYS 8 3.907 -4.345 0.965
53 HB3 LYS 8 HB2 LYS 8 4.645 -5.554 -0.075
54 HG2 LYS 8 HG3 LYS 8 5.533 -4.019 -1.458
55 HG3 LYS 8 HG2 LYS 8 4.143 -2.940 -1.329
56 HD2 LYS 8 HD3 LYS 8 6.283 -3.311 0.767
57 HD3 LYS 8 HD2 LYS 8 6.164 -1.950 -0.349
58 HE2 LYS 8 HE3 LYS 8 4.904 -0.924 1.170
59 HE3 LYS 8 HE2 LYS 8 3.652 -2.122 0.846
60 HZ1 LYS 8 HZ1 LYS 8 3.878 -2.555 3.019
61 HZ2 LYS 8 HZ2 LYS 8 5.420 -1.868 3.121
62 HZ3 LYS 8 HZ3 LYS 8 5.235 -3.449 2.548
63 H TRP 9 H TRP 9 0.746 -4.654 0.890
64 HA TRP 9 HA TRP 9 -0.259 -2.176 -0.273
65 HB2 TRP 9 HB3 TRP 9 -1.295 -4.198 1.678
66 HB3 TRP 9 HB2 TRP 9 -1.992 -2.595 1.680
67 HD1 TRP 9 HD1 TRP 9 -2.473 -5.826 0.231
68 HE1 TRP 9 HE1 TRP 9 -3.998 -5.752 -1.846
69 HE3 TRP 9 HE3 TRP 9 -2.415 -0.798 -0.605
70 HZ2 TRP 9 HZ2 TRP 9 -5.040 -3.799 -3.600
71 HZ3 TRP 9 HZ3 TRP 9 -3.702 0.099 -2.500
72 HH2 TRP 9 HH2 TRP 9 -4.989 -1.370 -3.963
73 H THR 10 H THR 10 0.182 -0.212 0.561
74 HA THR 10 HA THR 10 1.130 -0.060 3.345
75 HB THR 10 HB THR 10 2.359 2.064 2.031
76 HG1 THR 10 HG1 THR 10 2.723 -0.294 0.503
77 HG21 THR 10 HG21 THR 10 3.513 0.913 3.732
78 HG22 THR 10 HG22 THR 10 4.447 0.689 2.253
79 HG23 THR 10 HG23 THR 10 3.426 -0.616 2.857
80 H TRP 11 H TRP 11 0.420 1.654 4.556
81 HA TRP 11 HA TRP 11 -1.842 3.117 3.472
82 HB2 TRP 11 HB3 TRP 11 -2.000 2.074 5.708
83 HB3 TRP 11 HB2 TRP 11 -0.691 3.114 6.273
84 HD1 TRP 11 HD1 TRP 11 -1.312 5.538 7.018
85 HE1 TRP 11 HE1 TRP 11 -3.530 6.822 7.250
86 HE3 TRP 11 HE3 TRP 11 -4.398 2.287 4.552
87 HZ2 TRP 11 HZ2 TRP 11 -6.229 6.501 6.491
88 HZ3 TRP 11 HZ3 TRP 11 -6.784 2.852 4.350
89 HH2 TRP 11 HH2 TRP 11 -7.679 4.915 5.300
90 H LYS 12 H LYS 12 -1.189 4.770 2.202
91 HA LYS 12 HA LYS 12 -0.229 7.135 3.356
92 HB2 LYS 12 HB3 LYS 12 1.850 5.414 3.019
93 HB3 LYS 12 HB2 LYS 12 1.877 6.266 1.481
94 HG2 LYS 12 HG3 LYS 12 1.707 8.383 3.048
95 HG3 LYS 12 HG2 LYS 12 2.419 7.271 4.220
96 HD2 LYS 12 HD3 LYS 12 4.343 8.056 3.305
97 HD3 LYS 12 HD2 LYS 12 4.020 6.767 2.143
98 HE2 LYS 12 HE3 LYS 12 4.489 8.626 0.811
99 HE3 LYS 12 HE2 LYS 12 2.728 8.540 0.823
100 HZ1 LYS 12 HZ1 LYS 12 2.577 10.339 2.271
101 HZ2 LYS 12 HZ2 LYS 12 3.805 10.798 1.201
102 HZ3 LYS 12 HZ3 LYS 12 4.198 10.234 2.747
Start of MODEL 12
1 H1 SER 1 HT1 SER 1 -5.819 7.082 3.355
2 H2 SER 1 HT2 SER 1 -4.453 7.139 2.318
3 H3 SER 1 HT3 SER 1 -4.428 6.150 3.720
4 HA SER 1 HA SER 1 -6.438 5.028 2.688
5 HB2 SER 1 HB3 SER 1 -5.380 6.788 0.537
6 HB3 SER 1 HB2 SER 1 -5.846 5.154 0.063
7 HG SER 1 HG SER 1 -7.808 5.878 0.076
8 H TRP 2 H TRP 2 -5.810 3.264 0.876
9 HA TRP 2 HA TRP 2 -3.195 2.206 1.739
10 HB2 TRP 2 HB3 TRP 2 -5.784 0.880 0.972
11 HB3 TRP 2 HB2 TRP 2 -4.263 -0.001 0.921
12 HD1 TRP 2 HD1 TRP 2 -7.006 0.669 3.236
13 HE1 TRP 2 HE1 TRP 2 -6.296 0.171 5.664
14 HE3 TRP 2 HE3 TRP 2 -1.978 0.407 2.539
15 HZ2 TRP 2 HZ2 TRP 2 -3.883 -0.264 7.094
16 HZ3 TRP 2 HZ3 TRP 2 -0.532 -0.032 4.458
17 HH2 TRP 2 HH2 TRP 2 -1.457 -0.369 6.700
18 H THR 3 H THR 3 -1.660 1.856 0.289
19 HA THR 3 HA THR 3 -2.364 1.887 -2.570
20 HB THR 3 HB THR 3 -0.215 3.005 -3.012
21 HG1 THR 3 HG1 THR 3 0.012 2.896 -0.200
22 HG21 THR 3 HG21 THR 3 -1.658 4.729 -2.933
23 HG22 THR 3 HG22 THR 3 -0.726 5.136 -1.492
24 HG23 THR 3 HG23 THR 3 -2.268 4.293 -1.337
25 H TRP 4 H TRP 4 -1.677 0.145 -3.693
26 HA TRP 4 HA TRP 4 -0.109 -1.836 -2.259
27 HB2 TRP 4 HB3 TRP 4 -2.047 -2.711 -3.265
28 HB3 TRP 4 HB2 TRP 4 -1.791 -1.811 -4.751
29 HD1 TRP 4 HD1 TRP 4 0.219 -2.755 -6.369
30 HE1 TRP 4 HE1 TRP 4 0.948 -5.199 -6.776
31 HE3 TRP 4 HE3 TRP 4 -1.771 -4.882 -2.190
32 HZ2 TRP 4 HZ2 TRP 4 0.692 -7.705 -5.476
33 HZ3 TRP 4 HZ3 TRP 4 -1.497 -7.303 -1.836
34 HH2 TRP 4 HH2 TRP 4 -0.286 -8.683 -3.446
35 H GLU 5 H GLU 5 1.981 -2.173 -2.598
36 HA GLU 5 HA GLU 5 3.198 -1.394 -5.139
37 HB2 GLU 5 HB3 GLU 5 3.350 0.341 -3.086
38 HB3 GLU 5 HB2 GLU 5 4.756 -0.662 -2.729
39 HG2 GLU 5 HG3 GLU 5 5.940 0.226 -4.389
40 HG3 GLU 5 HG2 GLU 5 4.601 0.101 -5.529
41 H ASN 6 H ASN 6 5.110 -2.469 -5.657
42 HA ASN 6 HA ASN 6 6.361 -4.377 -5.822
43 HB2 ASN 6 HB3 ASN 6 7.211 -2.828 -3.739
44 HB3 ASN 6 HB2 ASN 6 7.009 -4.396 -2.951
45 HD21 ASN 6 HD21 ASN 6 7.651 -6.038 -5.126
46 HD22 ASN 6 HD22 ASN 6 9.335 -5.856 -5.466
47 H GLY 7 H GLY 7 3.608 -4.959 -5.326
48 HA2 GLY 7 HA3 GLY 7 2.426 -6.913 -5.027
49 HA3 GLY 7 HA2 GLY 7 3.906 -7.685 -4.501
50 H LYS 8 H LYS 8 2.966 -4.790 -2.837
51 HA LYS 8 HA LYS 8 1.637 -6.327 -0.735
52 HB2 LYS 8 HB3 LYS 8 3.093 -5.658 1.003
53 HB3 LYS 8 HB2 LYS 8 4.123 -6.261 -0.286
54 HG2 LYS 8 HG3 LYS 8 5.257 -4.364 -0.258
55 HG3 LYS 8 HG2 LYS 8 3.795 -3.483 -0.703
56 HD2 LYS 8 HD3 LYS 8 4.798 -2.601 1.354
57 HD3 LYS 8 HD2 LYS 8 3.189 -3.265 1.645
58 HE2 LYS 8 HE3 LYS 8 4.944 -3.852 3.358
59 HE3 LYS 8 HE2 LYS 8 4.074 -5.214 2.653
60 HZ1 LYS 8 HZ1 LYS 8 5.905 -5.892 1.479
61 HZ2 LYS 8 HZ2 LYS 8 6.648 -5.275 2.867
62 HZ3 LYS 8 HZ3 LYS 8 6.613 -4.356 1.447
63 H TRP 9 H TRP 9 0.575 -5.005 0.885
64 HA TRP 9 HA TRP 9 -0.473 -2.545 -0.287
65 HB2 TRP 9 HB3 TRP 9 -1.371 -4.451 1.830
66 HB3 TRP 9 HB2 TRP 9 -1.971 -2.813 1.891
67 HD1 TRP 9 HD1 TRP 9 -2.625 -6.040 0.400
68 HE1 TRP 9 HE1 TRP 9 -4.447 -5.900 -1.421
69 HE3 TRP 9 HE3 TRP 9 -2.822 -0.974 -0.117
70 HZ2 TRP 9 HZ2 TRP 9 -5.788 -3.883 -2.875
71 HZ3 TRP 9 HZ3 TRP 9 -4.398 -0.013 -1.739
72 HH2 TRP 9 HH2 TRP 9 -5.853 -1.437 -3.086
73 H THR 10 H THR 10 0.133 -0.577 0.374
74 HA THR 10 HA THR 10 1.393 -0.308 3.022
75 HB THR 10 HB THR 10 2.312 1.500 0.856
76 HG1 THR 10 HG1 THR 10 2.935 -1.252 0.973
77 HG21 THR 10 HG21 THR 10 3.707 1.976 2.515
78 HG22 THR 10 HG22 THR 10 4.503 0.452 2.122
79 HG23 THR 10 HG23 THR 10 3.292 0.510 3.403
80 H TRP 11 H TRP 11 1.003 1.610 4.136
81 HA TRP 11 HA TRP 11 -1.369 3.048 3.250
82 HB2 TRP 11 HB3 TRP 11 -1.304 2.234 5.562
83 HB3 TRP 11 HB2 TRP 11 0.157 3.178 5.864
84 HD1 TRP 11 HD1 TRP 11 -0.137 5.710 6.452
85 HE1 TRP 11 HE1 TRP 11 -2.181 7.209 6.893
86 HE3 TRP 11 HE3 TRP 11 -3.824 2.579 4.778
87 HZ2 TRP 11 HZ2 TRP 11 -4.982 7.084 6.575
88 HZ3 TRP 11 HZ3 TRP 11 -6.157 3.348 4.883
89 HH2 TRP 11 HH2 TRP 11 -6.723 5.554 5.764
90 H LYS 12 H LYS 12 -0.852 4.557 1.764
91 HA LYS 12 HA LYS 12 0.428 6.938 2.588
92 HB2 LYS 12 HB3 LYS 12 2.272 5.062 1.896
93 HB3 LYS 12 HB2 LYS 12 2.003 5.844 0.344
94 HG2 LYS 12 HG3 LYS 12 2.735 7.923 1.138
95 HG3 LYS 12 HG2 LYS 12 2.606 7.419 2.825
96 HD2 LYS 12 HD3 LYS 12 4.443 5.830 2.482
97 HD3 LYS 12 HD2 LYS 12 4.576 6.352 0.801
98 HE2 LYS 12 HE3 LYS 12 5.580 8.313 1.348
99 HE3 LYS 12 HE2 LYS 12 4.697 8.466 2.866
100 HZ1 LYS 12 HZ1 LYS 12 6.156 6.985 3.929
101 HZ2 LYS 12 HZ2 LYS 12 7.155 8.023 3.043
102 HZ3 LYS 12 HZ3 LYS 12 6.841 6.462 2.473
Start of MODEL 13
1 H1 SER 1 HT1 SER 1 -4.660 6.744 2.495
2 H2 SER 1 HT2 SER 1 -4.993 5.593 3.724
3 H3 SER 1 HT3 SER 1 -6.244 6.612 3.137
4 HA SER 1 HA SER 1 -6.654 4.637 2.115
5 HB2 SER 1 HB3 SER 1 -4.846 5.964 0.101
6 HB3 SER 1 HB2 SER 1 -6.403 5.179 -0.166
7 HG SER 1 HG SER 1 -7.303 6.930 1.136
8 H TRP 2 H TRP 2 -5.736 2.994 0.453
9 HA TRP 2 HA TRP 2 -3.215 1.953 1.576
10 HB2 TRP 2 HB3 TRP 2 -5.636 0.590 0.408
11 HB3 TRP 2 HB2 TRP 2 -4.098 -0.245 0.590
12 HD1 TRP 2 HD1 TRP 2 -7.203 0.255 2.425
13 HE1 TRP 2 HE1 TRP 2 -6.888 -0.263 4.932
14 HE3 TRP 2 HE3 TRP 2 -2.118 0.241 2.590
15 HZ2 TRP 2 HZ2 TRP 2 -4.735 -0.618 6.743
16 HZ3 TRP 2 HZ3 TRP 2 -0.999 -0.176 4.723
17 HH2 TRP 2 HH2 TRP 2 -2.275 -0.604 6.767
18 H THR 3 H THR 3 -1.507 1.691 0.301
19 HA THR 3 HA THR 3 -1.869 1.988 -2.608
20 HB THR 3 HB THR 3 -0.636 3.872 -1.747
21 HG1 THR 3 HG1 THR 3 0.207 3.123 -3.664
22 HG21 THR 3 HG21 THR 3 0.471 3.640 0.163
23 HG22 THR 3 HG22 THR 3 1.780 2.980 -0.818
24 HG23 THR 3 HG23 THR 3 0.629 1.895 -0.038
25 H TRP 4 H TRP 4 -1.232 0.323 -3.847
26 HA TRP 4 HA TRP 4 0.137 -1.901 -2.521
27 HB2 TRP 4 HB3 TRP 4 -1.918 -2.579 -3.452
28 HB3 TRP 4 HB2 TRP 4 -1.668 -1.637 -4.912
29 HD1 TRP 4 HD1 TRP 4 -0.160 -2.708 -6.817
30 HE1 TRP 4 HE1 TRP 4 0.491 -5.160 -7.300
31 HE3 TRP 4 HE3 TRP 4 -1.294 -4.740 -2.281
32 HZ2 TRP 4 HZ2 TRP 4 0.512 -7.630 -5.919
33 HZ3 TRP 4 HZ3 TRP 4 -0.928 -7.145 -1.927
34 HH2 TRP 4 HH2 TRP 4 -0.047 -8.563 -3.713
35 H GLU 5 H GLU 5 2.196 -2.389 -3.027
36 HA GLU 5 HA GLU 5 3.277 -1.492 -5.593
37 HB2 GLU 5 HB3 GLU 5 3.741 0.233 -3.826
38 HB3 GLU 5 HB2 GLU 5 4.714 -0.977 -2.991
39 HG2 GLU 5 HG3 GLU 5 6.378 -0.925 -4.562
40 HG3 GLU 5 HG2 GLU 5 5.300 -0.383 -5.847
41 H ASN 6 H ASN 6 4.226 -3.113 -6.566
42 HA ASN 6 HA ASN 6 5.162 -5.157 -6.950
43 HB2 ASN 6 HB3 ASN 6 7.075 -3.653 -6.357
44 HB3 ASN 6 HB2 ASN 6 7.006 -4.303 -4.717
45 HD21 ASN 6 HD21 ASN 6 6.786 -5.741 -7.957
46 HD22 ASN 6 HD22 ASN 6 8.032 -6.910 -7.707
47 H GLY 7 H GLY 7 2.967 -5.401 -5.102
48 HA2 GLY 7 HA3 GLY 7 2.182 -7.424 -4.163
49 HA3 GLY 7 HA2 GLY 7 3.836 -7.901 -3.865
50 H LYS 8 H LYS 8 2.899 -4.712 -2.831
51 HA LYS 8 HA LYS 8 2.373 -5.714 -0.132
52 HB2 LYS 8 HB3 LYS 8 4.627 -3.867 -0.883
53 HB3 LYS 8 HB2 LYS 8 3.993 -3.956 0.755
54 HG2 LYS 8 HG3 LYS 8 4.998 -6.368 -0.724
55 HG3 LYS 8 HG2 LYS 8 6.043 -5.341 0.260
56 HD2 LYS 8 HD3 LYS 8 3.526 -6.616 1.312
57 HD3 LYS 8 HD2 LYS 8 5.110 -7.389 1.409
58 HE2 LYS 8 HE3 LYS 8 5.965 -5.503 2.693
59 HE3 LYS 8 HE2 LYS 8 4.404 -4.693 2.565
60 HZ1 LYS 8 HZ1 LYS 8 4.585 -5.762 4.690
61 HZ2 LYS 8 HZ2 LYS 8 4.956 -7.248 3.974
62 HZ3 LYS 8 HZ3 LYS 8 3.417 -6.576 3.776
63 H TRP 9 H TRP 9 0.882 -4.624 0.941
64 HA TRP 9 HA TRP 9 -0.252 -2.207 -0.254
65 HB2 TRP 9 HB3 TRP 9 -1.199 -4.266 1.701
66 HB3 TRP 9 HB2 TRP 9 -1.943 -2.684 1.732
67 HD1 TRP 9 HD1 TRP 9 -2.372 -5.914 0.275
68 HE1 TRP 9 HE1 TRP 9 -3.929 -5.868 -1.779
69 HE3 TRP 9 HE3 TRP 9 -2.437 -0.882 -0.549
70 HZ2 TRP 9 HZ2 TRP 9 -5.040 -3.934 -3.512
71 HZ3 TRP 9 HZ3 TRP 9 -3.771 -0.010 -2.421
72 HH2 TRP 9 HH2 TRP 9 -5.047 -1.504 -3.869
73 H THR 10 H THR 10 0.137 -0.225 0.577
74 HA THR 10 HA THR 10 1.106 -0.049 3.353
75 HB THR 10 HB THR 10 2.290 2.103 2.102
76 HG1 THR 10 HG1 THR 10 2.529 -0.150 0.398
77 HG21 THR 10 HG21 THR 10 3.275 0.429 3.732
78 HG22 THR 10 HG22 THR 10 4.351 1.073 2.491
79 HG23 THR 10 HG23 THR 10 3.673 -0.546 2.316
80 H TRP 11 H TRP 11 0.503 1.776 4.532
81 HA TRP 11 HA TRP 11 -1.837 3.163 3.460
82 HB2 TRP 11 HB3 TRP 11 -2.045 2.063 5.659
83 HB3 TRP 11 HB2 TRP 11 -0.751 3.086 6.286
84 HD1 TRP 11 HD1 TRP 11 -1.390 5.491 7.080
85 HE1 TRP 11 HE1 TRP 11 -3.615 6.765 7.305
86 HE3 TRP 11 HE3 TRP 11 -4.421 2.303 4.468
87 HZ2 TRP 11 HZ2 TRP 11 -6.298 6.460 6.485
88 HZ3 TRP 11 HZ3 TRP 11 -6.804 2.869 4.237
89 HH2 TRP 11 HH2 TRP 11 -7.721 4.904 5.225
90 H LYS 12 H LYS 12 -1.174 4.858 2.251
91 HA LYS 12 HA LYS 12 -0.267 7.201 3.491
92 HB2 LYS 12 HB3 LYS 12 1.849 5.612 3.288
93 HB3 LYS 12 HB2 LYS 12 1.870 6.240 1.646
94 HG2 LYS 12 HG3 LYS 12 1.533 8.350 3.599
95 HG3 LYS 12 HG2 LYS 12 2.999 7.409 3.884
96 HD2 LYS 12 HD3 LYS 12 3.995 8.154 2.000
97 HD3 LYS 12 HD2 LYS 12 2.492 8.131 1.075
98 HE2 LYS 12 HE3 LYS 12 2.670 10.161 3.208
99 HE3 LYS 12 HE2 LYS 12 3.755 10.388 1.836
100 HZ1 LYS 12 HZ1 LYS 12 1.816 10.229 0.365
101 HZ2 LYS 12 HZ2 LYS 12 1.687 11.524 1.446
102 HZ3 LYS 12 HZ3 LYS 12 0.801 10.108 1.714
Start of MODEL 14
1 H1 SER 1 HT1 SER 1 -6.163 6.674 3.184
2 H2 SER 1 HT2 SER 1 -4.603 6.796 2.477
3 H3 SER 1 HT3 SER 1 -4.889 5.672 3.742
4 HA SER 1 HA SER 1 -6.609 4.680 2.218
5 HB2 SER 1 HB3 SER 1 -5.564 5.116 -0.223
6 HB3 SER 1 HB2 SER 1 -6.880 6.091 0.432
7 HG SER 1 HG SER 1 -5.186 7.387 -0.390
8 H TRP 2 H TRP 2 -5.718 3.040 0.501
9 HA TRP 2 HA TRP 2 -3.193 1.984 1.598
10 HB2 TRP 2 HB3 TRP 2 -5.630 0.640 0.445
11 HB3 TRP 2 HB2 TRP 2 -4.094 -0.205 0.602
12 HD1 TRP 2 HD1 TRP 2 -7.175 0.291 2.475
13 HE1 TRP 2 HE1 TRP 2 -6.836 -0.243 4.974
14 HE3 TRP 2 HE3 TRP 2 -2.087 0.270 2.589
15 HZ2 TRP 2 HZ2 TRP 2 -4.666 -0.613 6.761
16 HZ3 TRP 2 HZ3 TRP 2 -0.949 -0.162 4.710
17 HH2 TRP 2 HH2 TRP 2 -2.206 -0.601 6.763
18 H THR 3 H THR 3 -1.497 1.709 0.307
19 HA THR 3 HA THR 3 -1.881 2.021 -2.598
20 HB THR 3 HB THR 3 0.308 3.030 -2.726
21 HG1 THR 3 HG1 THR 3 1.643 2.307 -1.272
22 HG21 THR 3 HG21 THR 3 -0.585 4.478 -0.329
23 HG22 THR 3 HG22 THR 3 -1.765 4.330 -1.632
24 HG23 THR 3 HG23 THR 3 -0.196 5.071 -1.944
25 H TRP 4 H TRP 4 -1.250 0.357 -3.845
26 HA TRP 4 HA TRP 4 0.099 -1.880 -2.530
27 HB2 TRP 4 HB3 TRP 4 -1.928 -2.538 -3.532
28 HB3 TRP 4 HB2 TRP 4 -1.637 -1.568 -4.966
29 HD1 TRP 4 HD1 TRP 4 -0.069 -2.603 -6.844
30 HE1 TRP 4 HE1 TRP 4 0.593 -5.045 -7.358
31 HE3 TRP 4 HE3 TRP 4 -1.349 -4.727 -2.390
32 HZ2 TRP 4 HZ2 TRP 4 0.567 -7.543 -6.028
33 HZ3 TRP 4 HZ3 TRP 4 -0.998 -7.139 -2.075
34 HH2 TRP 4 HH2 TRP 4 -0.062 -8.521 -3.861
35 H GLU 5 H GLU 5 2.171 -2.372 -2.986
36 HA GLU 5 HA GLU 5 3.329 -1.429 -5.501
37 HB2 GLU 5 HB3 GLU 5 3.703 0.164 -3.477
38 HB3 GLU 5 HB2 GLU 5 4.881 -1.045 -2.968
39 HG2 GLU 5 HG3 GLU 5 6.336 0.070 -4.220
40 HG3 GLU 5 HG2 GLU 5 5.518 -0.647 -5.607
41 H ASN 6 H ASN 6 4.299 -3.032 -6.480
42 HA ASN 6 HA ASN 6 5.240 -5.069 -6.883
43 HB2 ASN 6 HB3 ASN 6 7.066 -3.434 -5.921
44 HB3 ASN 6 HB2 ASN 6 7.089 -4.592 -4.587
45 HD21 ASN 6 HD21 ASN 6 7.263 -4.411 -8.117
46 HD22 ASN 6 HD22 ASN 6 8.373 -5.721 -8.304
47 H GLY 7 H GLY 7 2.997 -5.349 -5.095
48 HA2 GLY 7 HA3 GLY 7 2.186 -7.391 -4.223
49 HA3 GLY 7 HA2 GLY 7 3.831 -7.881 -3.900
50 H LYS 8 H LYS 8 2.884 -4.716 -2.810
51 HA LYS 8 HA LYS 8 2.258 -5.769 -0.158
52 HB2 LYS 8 HB3 LYS 8 4.822 -4.773 -0.851
53 HB3 LYS 8 HB2 LYS 8 4.075 -3.596 0.219
54 HG2 LYS 8 HG3 LYS 8 4.309 -6.535 0.824
55 HG3 LYS 8 HG2 LYS 8 5.434 -5.299 1.391
56 HD2 LYS 8 HD3 LYS 8 4.010 -4.552 2.969
57 HD3 LYS 8 HD2 LYS 8 2.601 -4.730 1.923
58 HE2 LYS 8 HE3 LYS 8 3.995 -7.111 3.103
59 HE3 LYS 8 HE2 LYS 8 2.764 -6.227 4.003
60 HZ1 LYS 8 HZ1 LYS 8 1.204 -6.650 2.199
61 HZ2 LYS 8 HZ2 LYS 8 1.803 -8.098 2.834
62 HZ3 LYS 8 HZ3 LYS 8 2.386 -7.519 1.356
63 H TRP 9 H TRP 9 0.751 -4.666 0.872
64 HA TRP 9 HA TRP 9 -0.268 -2.195 -0.298
65 HB2 TRP 9 HB3 TRP 9 -1.300 -4.230 1.640
66 HB3 TRP 9 HB2 TRP 9 -2.000 -2.629 1.659
67 HD1 TRP 9 HD1 TRP 9 -2.464 -5.848 0.172
68 HE1 TRP 9 HE1 TRP 9 -3.998 -5.758 -1.898
69 HE3 TRP 9 HE3 TRP 9 -2.450 -0.808 -0.595
70 HZ2 TRP 9 HZ2 TRP 9 -5.062 -3.789 -3.621
71 HZ3 TRP 9 HZ3 TRP 9 -3.751 0.104 -2.472
72 HH2 TRP 9 HH2 TRP 9 -5.032 -1.355 -3.951
73 H THR 10 H THR 10 0.169 -0.230 0.542
74 HA THR 10 HA THR 10 1.114 -0.086 3.328
75 HB THR 10 HB THR 10 2.177 1.852 1.330
76 HG1 THR 10 HG1 THR 10 2.518 -0.142 0.320
77 HG21 THR 10 HG21 THR 10 3.913 2.136 2.762
78 HG22 THR 10 HG22 THR 10 3.843 0.477 3.356
79 HG23 THR 10 HG23 THR 10 2.664 1.664 3.914
80 H TRP 11 H TRP 11 0.477 1.687 4.526
81 HA TRP 11 HA TRP 11 -1.802 3.144 3.446
82 HB2 TRP 11 HB3 TRP 11 -1.985 2.083 5.672
83 HB3 TRP 11 HB2 TRP 11 -0.674 3.110 6.257
84 HD1 TRP 11 HD1 TRP 11 -1.278 5.551 6.981
85 HE1 TRP 11 HE1 TRP 11 -3.493 6.840 7.220
86 HE3 TRP 11 HE3 TRP 11 -4.384 2.294 4.547
87 HZ2 TRP 11 HZ2 TRP 11 -6.197 6.520 6.476
88 HZ3 TRP 11 HZ3 TRP 11 -6.769 2.862 4.356
89 HH2 TRP 11 HH2 TRP 11 -7.656 4.931 5.302
90 H LYS 12 H LYS 12 -1.125 4.802 2.195
91 HA LYS 12 HA LYS 12 -0.063 7.117 3.425
92 HB2 LYS 12 HB3 LYS 12 1.932 5.384 2.869
93 HB3 LYS 12 HB2 LYS 12 1.842 6.239 1.335
94 HG2 LYS 12 HG3 LYS 12 2.351 8.306 2.338
95 HG3 LYS 12 HG2 LYS 12 2.063 7.676 3.961
96 HD2 LYS 12 HD3 LYS 12 3.993 6.006 3.265
97 HD3 LYS 12 HD2 LYS 12 4.412 7.324 2.168
98 HE2 LYS 12 HE3 LYS 12 5.638 7.559 4.239
99 HE3 LYS 12 HE2 LYS 12 4.468 8.869 4.084
100 HZ1 LYS 12 HZ1 LYS 12 3.594 6.482 5.511
101 HZ2 LYS 12 HZ2 LYS 12 3.253 8.110 5.815
102 HZ3 LYS 12 HZ3 LYS 12 4.738 7.455 6.291
Start of MODEL 15
1 H1 SER 1 HT1 SER 1 -5.980 6.880 3.440
2 H2 SER 1 HT2 SER 1 -4.604 6.975 2.419
3 H3 SER 1 HT3 SER 1 -4.582 5.958 3.801
4 HA SER 1 HA SER 1 -6.565 4.831 2.724
5 HB2 SER 1 HB3 SER 1 -5.540 6.675 0.639
6 HB3 SER 1 HB2 SER 1 -5.918 5.038 0.103
7 HG SER 1 HG SER 1 -7.980 5.403 0.413
8 H TRP 2 H TRP 2 -5.901 3.112 0.889
9 HA TRP 2 HA TRP 2 -3.279 2.072 1.748
10 HB2 TRP 2 HB3 TRP 2 -5.844 0.725 0.937
11 HB3 TRP 2 HB2 TRP 2 -4.311 -0.136 0.895
12 HD1 TRP 2 HD1 TRP 2 -7.095 0.453 3.175
13 HE1 TRP 2 HE1 TRP 2 -6.414 -0.058 5.609
14 HE3 TRP 2 HE3 TRP 2 -2.049 0.309 2.560
15 HZ2 TRP 2 HZ2 TRP 2 -4.017 -0.457 7.073
16 HZ3 TRP 2 HZ3 TRP 2 -0.626 -0.121 4.500
17 HH2 TRP 2 HH2 TRP 2 -1.583 -0.504 6.721
18 H THR 3 H THR 3 -1.729 1.758 0.302
19 HA THR 3 HA THR 3 -2.419 1.843 -2.561
20 HB THR 3 HB THR 3 -1.316 3.915 -2.025
21 HG1 THR 3 HG1 THR 3 0.580 3.679 -3.295
22 HG21 THR 3 HG21 THR 3 1.035 3.894 -1.149
23 HG22 THR 3 HG22 THR 3 0.753 2.221 -0.664
24 HG23 THR 3 HG23 THR 3 -0.225 3.516 0.026
25 H TRP 4 H TRP 4 -1.732 0.127 -3.716
26 HA TRP 4 HA TRP 4 -0.177 -1.898 -2.329
27 HB2 TRP 4 HB3 TRP 4 -2.095 -2.745 -3.392
28 HB3 TRP 4 HB2 TRP 4 -1.831 -1.783 -4.836
29 HD1 TRP 4 HD1 TRP 4 0.173 -2.657 -6.492
30 HE1 TRP 4 HE1 TRP 4 0.918 -5.079 -6.991
31 HE3 TRP 4 HE3 TRP 4 -1.798 -4.956 -2.392
32 HZ2 TRP 4 HZ2 TRP 4 0.684 -7.631 -5.786
33 HZ3 TRP 4 HZ3 TRP 4 -1.502 -7.385 -2.129
34 HH2 TRP 4 HH2 TRP 4 -0.284 -8.694 -3.794
35 H GLU 5 H GLU 5 1.933 -2.223 -2.656
36 HA GLU 5 HA GLU 5 3.163 -1.330 -5.155
37 HB2 GLU 5 HB3 GLU 5 4.025 -0.452 -2.401
38 HB3 GLU 5 HB2 GLU 5 5.050 -0.308 -3.829
39 HG2 GLU 5 HG3 GLU 5 3.496 1.191 -4.865
40 HG3 GLU 5 HG2 GLU 5 2.324 0.942 -3.572
41 H ASN 6 H ASN 6 4.897 -2.493 -5.825
42 HA ASN 6 HA ASN 6 6.134 -4.398 -6.074
43 HB2 ASN 6 HB3 ASN 6 7.199 -2.789 -4.151
44 HB3 ASN 6 HB2 ASN 6 7.084 -4.324 -3.286
45 HD21 ASN 6 HD21 ASN 6 8.144 -2.996 -6.398
46 HD22 ASN 6 HD22 ASN 6 9.529 -4.017 -6.557
47 H GLY 7 H GLY 7 3.456 -5.003 -5.271
48 HA2 GLY 7 HA3 GLY 7 2.376 -6.998 -4.821
49 HA3 GLY 7 HA2 GLY 7 3.915 -7.692 -4.361
50 H LYS 8 H LYS 8 2.991 -4.741 -2.796
51 HA LYS 8 HA LYS 8 1.853 -6.190 -0.528
52 HB2 LYS 8 HB3 LYS 8 3.406 -5.202 1.067
53 HB3 LYS 8 HB2 LYS 8 4.270 -6.170 -0.119
54 HG2 LYS 8 HG3 LYS 8 5.214 -4.327 -1.137
55 HG3 LYS 8 HG2 LYS 8 3.970 -3.230 -0.536
56 HD2 LYS 8 HD3 LYS 8 6.082 -4.576 1.148
57 HD3 LYS 8 HD2 LYS 8 6.124 -2.899 0.602
58 HE2 LYS 8 HE3 LYS 8 3.755 -2.828 1.759
59 HE3 LYS 8 HE2 LYS 8 4.410 -4.190 2.666
60 HZ1 LYS 8 HZ1 LYS 8 5.930 -1.674 2.400
61 HZ2 LYS 8 HZ2 LYS 8 6.078 -2.883 3.574
62 HZ3 LYS 8 HZ3 LYS 8 4.742 -1.847 3.592
63 H TRP 9 H TRP 9 0.482 -5.021 0.735
64 HA TRP 9 HA TRP 9 -0.457 -2.505 -0.332
65 HB2 TRP 9 HB3 TRP 9 -1.387 -4.444 1.745
66 HB3 TRP 9 HB2 TRP 9 -2.018 -2.817 1.790
67 HD1 TRP 9 HD1 TRP 9 -2.562 -6.052 0.271
68 HE1 TRP 9 HE1 TRP 9 -4.333 -5.942 -1.601
69 HE3 TRP 9 HE3 TRP 9 -2.842 -0.991 -0.235
70 HZ2 TRP 9 HZ2 TRP 9 -5.671 -3.946 -3.087
71 HZ3 TRP 9 HZ3 TRP 9 -4.390 -0.054 -1.900
72 HH2 TRP 9 HH2 TRP 9 -5.777 -1.501 -3.293
73 H THR 10 H THR 10 0.104 -0.537 0.381
74 HA THR 10 HA THR 10 1.295 -0.302 3.065
75 HB THR 10 HB THR 10 2.241 1.564 0.963
76 HG1 THR 10 HG1 THR 10 2.889 -1.184 1.021
77 HG21 THR 10 HG21 THR 10 3.212 0.456 3.484
78 HG22 THR 10 HG22 THR 10 3.549 2.006 2.714
79 HG23 THR 10 HG23 THR 10 4.431 0.563 2.214
80 H TRP 11 H TRP 11 0.854 1.585 4.207
81 HA TRP 11 HA TRP 11 -1.515 3.014 3.300
82 HB2 TRP 11 HB3 TRP 11 -1.478 2.136 5.594
83 HB3 TRP 11 HB2 TRP 11 -0.051 3.112 5.950
84 HD1 TRP 11 HD1 TRP 11 -0.426 5.631 6.566
85 HE1 TRP 11 HE1 TRP 11 -2.522 7.058 7.005
86 HE3 TRP 11 HE3 TRP 11 -3.989 2.416 4.793
87 HZ2 TRP 11 HZ2 TRP 11 -5.313 6.851 6.649
88 HZ3 TRP 11 HZ3 TRP 11 -6.348 3.109 4.880
89 HH2 TRP 11 HH2 TRP 11 -6.995 5.280 5.789
90 H LYS 12 H LYS 12 -0.994 4.579 1.872
91 HA LYS 12 HA LYS 12 0.171 6.971 2.761
92 HB2 LYS 12 HB3 LYS 12 2.157 5.223 2.310
93 HB3 LYS 12 HB2 LYS 12 1.961 5.845 0.677
94 HG2 LYS 12 HG3 LYS 12 3.505 7.316 1.446
95 HG3 LYS 12 HG2 LYS 12 2.041 8.167 1.945
96 HD2 LYS 12 HD3 LYS 12 2.250 7.367 4.182
97 HD3 LYS 12 HD2 LYS 12 3.542 6.256 3.726
98 HE2 LYS 12 HE3 LYS 12 4.028 9.091 3.102
99 HE3 LYS 12 HE2 LYS 12 3.945 8.699 4.819
100 HZ1 LYS 12 HZ1 LYS 12 5.593 7.028 3.054
101 HZ2 LYS 12 HZ2 LYS 12 5.789 7.372 4.698
102 HZ3 LYS 12 HZ3 LYS 12 6.187 8.537 3.538
Start of MODEL 16
1 H1 SER 1 HT1 SER 1 -4.876 5.637 3.680
2 H2 SER 1 HT2 SER 1 -6.096 6.683 3.075
3 H3 SER 1 HT3 SER 1 -4.495 6.783 2.464
4 HA SER 1 HA SER 1 -6.524 4.717 2.040
5 HB2 SER 1 HB3 SER 1 -6.370 6.682 0.528
6 HB3 SER 1 HB2 SER 1 -4.689 6.269 0.192
7 HG SER 1 HG SER 1 -5.318 4.688 -1.069
8 H TRP 2 H TRP 2 -5.621 3.054 0.402
9 HA TRP 2 HA TRP 2 -3.122 1.979 1.542
10 HB2 TRP 2 HB3 TRP 2 -5.555 0.646 0.363
11 HB3 TRP 2 HB2 TRP 2 -4.032 -0.210 0.562
12 HD1 TRP 2 HD1 TRP 2 -7.144 0.348 2.371
13 HE1 TRP 2 HE1 TRP 2 -6.856 -0.161 4.882
14 HE3 TRP 2 HE3 TRP 2 -2.062 0.251 2.573
15 HZ2 TRP 2 HZ2 TRP 2 -4.723 -0.544 6.711
16 HZ3 TRP 2 HZ3 TRP 2 -0.965 -0.174 4.716
17 HH2 TRP 2 HH2 TRP 2 -2.263 -0.570 6.753
18 H THR 3 H THR 3 -1.412 1.688 0.275
19 HA THR 3 HA THR 3 -1.755 1.988 -2.635
20 HB THR 3 HB THR 3 0.469 2.935 -2.732
21 HG1 THR 3 HG1 THR 3 1.793 3.023 -1.013
22 HG21 THR 3 HG21 THR 3 -0.859 4.745 -2.348
23 HG22 THR 3 HG22 THR 3 0.208 4.835 -0.947
24 HG23 THR 3 HG23 THR 3 -1.409 4.152 -0.781
25 H TRP 4 H TRP 4 -1.145 0.310 -3.873
26 HA TRP 4 HA TRP 4 0.180 -1.937 -2.539
27 HB2 TRP 4 HB3 TRP 4 -1.890 -2.575 -3.472
28 HB3 TRP 4 HB2 TRP 4 -1.614 -1.647 -4.937
29 HD1 TRP 4 HD1 TRP 4 -0.134 -2.761 -6.831
30 HE1 TRP 4 HE1 TRP 4 0.474 -5.227 -7.298
31 HE3 TRP 4 HE3 TRP 4 -1.298 -4.739 -2.280
32 HZ2 TRP 4 HZ2 TRP 4 0.453 -7.687 -5.897
33 HZ3 TRP 4 HZ3 TRP 4 -0.973 -7.147 -1.908
34 HH2 TRP 4 HH2 TRP 4 -0.119 -8.593 -3.684
35 H GLU 5 H GLU 5 2.231 -2.462 -3.044
36 HA GLU 5 HA GLU 5 3.329 -1.586 -5.610
37 HB2 GLU 5 HB3 GLU 5 3.793 0.090 -3.731
38 HB3 GLU 5 HB2 GLU 5 4.869 -1.138 -3.065
39 HG2 GLU 5 HG3 GLU 5 5.532 -0.887 -5.784
40 HG3 GLU 5 HG2 GLU 5 5.343 0.750 -5.159
41 H ASN 6 H ASN 6 4.247 -3.227 -6.581
42 HA ASN 6 HA ASN 6 5.148 -5.288 -6.959
43 HB2 ASN 6 HB3 ASN 6 6.984 -3.602 -5.834
44 HB3 ASN 6 HB2 ASN 6 7.124 -5.030 -4.804
45 HD21 ASN 6 HD21 ASN 6 6.749 -7.085 -6.472
46 HD22 ASN 6 HD22 ASN 6 7.962 -7.112 -7.703
47 H GLY 7 H GLY 7 2.951 -5.488 -5.108
48 HA2 GLY 7 HA3 GLY 7 2.133 -7.495 -4.161
49 HA3 GLY 7 HA2 GLY 7 3.779 -7.998 -3.863
50 H LYS 8 H LYS 8 2.898 -4.790 -2.844
51 HA LYS 8 HA LYS 8 2.364 -5.769 -0.138
52 HB2 LYS 8 HB3 LYS 8 4.573 -3.832 -0.831
53 HB3 LYS 8 HB2 LYS 8 4.016 -4.160 0.804
54 HG2 LYS 8 HG3 LYS 8 4.531 -6.672 -0.136
55 HG3 LYS 8 HG2 LYS 8 5.781 -5.711 -0.928
56 HD2 LYS 8 HD3 LYS 8 6.784 -6.322 1.077
57 HD3 LYS 8 HD2 LYS 8 6.169 -4.704 1.421
58 HE2 LYS 8 HE3 LYS 8 5.591 -6.033 3.286
59 HE3 LYS 8 HE2 LYS 8 4.107 -5.825 2.356
60 HZ1 LYS 8 HZ1 LYS 8 5.783 -8.228 2.656
61 HZ2 LYS 8 HZ2 LYS 8 4.803 -8.049 1.289
62 HZ3 LYS 8 HZ3 LYS 8 4.107 -8.066 2.831
63 H TRP 9 H TRP 9 0.897 -4.651 0.941
64 HA TRP 9 HA TRP 9 -0.218 -2.231 -0.268
65 HB2 TRP 9 HB3 TRP 9 -1.185 -4.273 1.695
66 HB3 TRP 9 HB2 TRP 9 -1.910 -2.682 1.725
67 HD1 TRP 9 HD1 TRP 9 -2.394 -5.907 0.283
68 HE1 TRP 9 HE1 TRP 9 -3.951 -5.845 -1.771
69 HE3 TRP 9 HE3 TRP 9 -2.371 -0.879 -0.569
70 HZ2 TRP 9 HZ2 TRP 9 -5.027 -3.901 -3.515
71 HZ3 TRP 9 HZ3 TRP 9 -3.690 0.006 -2.447
72 HH2 TRP 9 HH2 TRP 9 -4.992 -1.474 -3.886
73 H THR 10 H THR 10 0.189 -0.249 0.552
74 HA THR 10 HA THR 10 1.170 -0.066 3.323
75 HB THR 10 HB THR 10 2.170 1.924 1.364
76 HG1 THR 10 HG1 THR 10 3.185 -0.720 1.478
77 HG21 THR 10 HG21 THR 10 4.021 0.488 3.121
78 HG22 THR 10 HG22 THR 10 2.769 1.415 3.947
79 HG23 THR 10 HG23 THR 10 3.851 2.216 2.808
80 H TRP 11 H TRP 11 0.501 1.692 4.524
81 HA TRP 11 HA TRP 11 -1.823 3.091 3.467
82 HB2 TRP 11 HB3 TRP 11 -1.962 2.055 5.701
83 HB3 TRP 11 HB2 TRP 11 -0.648 3.094 6.258
84 HD1 TRP 11 HD1 TRP 11 -1.289 5.455 7.119
85 HE1 TRP 11 HE1 TRP 11 -3.495 6.762 7.332
86 HE3 TRP 11 HE3 TRP 11 -4.337 2.354 4.423
87 HZ2 TRP 11 HZ2 TRP 11 -6.172 6.513 6.473
88 HZ3 TRP 11 HZ3 TRP 11 -6.706 2.963 4.168
89 HH2 TRP 11 HH2 TRP 11 -7.604 4.999 5.172
90 H LYS 12 H LYS 12 -1.283 4.797 2.237
91 HA LYS 12 HA LYS 12 -0.265 7.141 3.400
92 HB2 LYS 12 HB3 LYS 12 1.797 5.473 2.913
93 HB3 LYS 12 HB2 LYS 12 1.694 6.277 1.352
94 HG2 LYS 12 HG3 LYS 12 1.566 8.395 3.045
95 HG3 LYS 12 HG2 LYS 12 2.610 7.292 3.942
96 HD2 LYS 12 HD3 LYS 12 4.273 7.373 2.373
97 HD3 LYS 12 HD2 LYS 12 3.153 7.684 1.045
98 HE2 LYS 12 HE3 LYS 12 3.889 9.672 3.190
99 HE3 LYS 12 HE2 LYS 12 4.599 9.621 1.577
100 HZ1 LYS 12 HZ1 LYS 12 2.919 11.221 1.464
101 HZ2 LYS 12 HZ2 LYS 12 1.815 10.276 2.330
102 HZ3 LYS 12 HZ3 LYS 12 2.232 9.851 0.747
Start of MODEL 17
1 H1 SER 1 HT1 SER 1 -4.645 5.881 3.800
2 H2 SER 1 HT2 SER 1 -6.022 6.820 3.389
3 H3 SER 1 HT3 SER 1 -4.593 6.928 2.444
4 HA SER 1 HA SER 1 -6.572 4.784 2.607
5 HB2 SER 1 HB3 SER 1 -5.145 5.867 0.189
6 HB3 SER 1 HB2 SER 1 -6.744 5.131 0.294
7 HG SER 1 HG SER 1 -6.110 7.706 0.407
8 H TRP 2 H TRP 2 -5.852 3.085 0.800
9 HA TRP 2 HA TRP 2 -3.246 2.049 1.711
10 HB2 TRP 2 HB3 TRP 2 -5.782 0.693 0.819
11 HB3 TRP 2 HB2 TRP 2 -4.243 -0.158 0.828
12 HD1 TRP 2 HD1 TRP 2 -7.108 0.403 3.010
13 HE1 TRP 2 HE1 TRP 2 -6.509 -0.108 5.466
14 HE3 TRP 2 HE3 TRP 2 -2.041 0.302 2.574
15 HZ2 TRP 2 HZ2 TRP 2 -4.162 -0.491 7.013
16 HZ3 TRP 2 HZ3 TRP 2 -0.685 -0.123 4.563
17 HH2 TRP 2 HH2 TRP 2 -1.717 -0.518 6.747
18 H THR 3 H THR 3 -1.663 1.750 0.297
19 HA THR 3 HA THR 3 -2.288 1.882 -2.580
20 HB THR 3 HB THR 3 -0.164 3.010 -2.944
21 HG1 THR 3 HG1 THR 3 1.068 2.163 -1.288
22 HG21 THR 3 HG21 THR 3 -2.163 4.194 -1.166
23 HG22 THR 3 HG22 THR 3 -1.452 4.811 -2.658
24 HG23 THR 3 HG23 THR 3 -0.582 4.976 -1.133
25 H TRP 4 H TRP 4 -1.617 0.172 -3.750
26 HA TRP 4 HA TRP 4 -0.097 -1.893 -2.369
27 HB2 TRP 4 HB3 TRP 4 -2.051 -2.709 -3.391
28 HB3 TRP 4 HB2 TRP 4 -1.797 -1.759 -4.845
29 HD1 TRP 4 HD1 TRP 4 0.133 -2.684 -6.548
30 HE1 TRP 4 HE1 TRP 4 0.835 -5.118 -7.041
31 HE3 TRP 4 HE3 TRP 4 -1.742 -4.917 -2.364
32 HZ2 TRP 4 HZ2 TRP 4 0.611 -7.653 -5.801
33 HZ3 TRP 4 HZ3 TRP 4 -1.459 -7.343 -2.082
34 HH2 TRP 4 HH2 TRP 4 -0.308 -8.684 -3.769
35 H GLU 5 H GLU 5 2.005 -2.253 -2.737
36 HA GLU 5 HA GLU 5 3.193 -1.384 -5.265
37 HB2 GLU 5 HB3 GLU 5 3.842 -0.325 -2.561
38 HB3 GLU 5 HB2 GLU 5 5.176 -0.579 -3.686
39 HG2 GLU 5 HG3 GLU 5 3.394 0.728 -5.261
40 HG3 GLU 5 HG2 GLU 5 3.059 1.446 -3.686
41 H ASN 6 H ASN 6 4.782 -2.653 -6.018
42 HA ASN 6 HA ASN 6 5.956 -4.594 -6.289
43 HB2 ASN 6 HB3 ASN 6 7.366 -2.995 -4.818
44 HB3 ASN 6 HB2 ASN 6 7.004 -4.128 -3.513
45 HD21 ASN 6 HD21 ASN 6 7.877 -4.418 -6.945
46 HD22 ASN 6 HD22 ASN 6 9.171 -5.534 -6.695
47 H GLY 7 H GLY 7 3.336 -5.117 -5.252
48 HA2 GLY 7 HA3 GLY 7 2.290 -7.106 -4.677
49 HA3 GLY 7 HA2 GLY 7 3.849 -7.771 -4.250
50 H LYS 8 H LYS 8 2.976 -4.745 -2.795
51 HA LYS 8 HA LYS 8 1.961 -6.101 -0.412
52 HB2 LYS 8 HB3 LYS 8 4.396 -4.314 -0.409
53 HB3 LYS 8 HB2 LYS 8 3.564 -4.870 1.036
54 HG2 LYS 8 HG3 LYS 8 4.824 -6.687 -1.006
55 HG3 LYS 8 HG2 LYS 8 5.600 -6.165 0.491
56 HD2 LYS 8 HD3 LYS 8 3.016 -7.713 0.294
57 HD3 LYS 8 HD2 LYS 8 4.590 -8.390 0.717
58 HE2 LYS 8 HE3 LYS 8 4.643 -6.746 2.633
59 HE3 LYS 8 HE2 LYS 8 2.953 -6.398 2.270
60 HZ1 LYS 8 HZ1 LYS 8 2.618 -8.045 3.745
61 HZ2 LYS 8 HZ2 LYS 8 4.138 -8.746 3.502
62 HZ3 LYS 8 HZ3 LYS 8 2.884 -9.049 2.408
63 H TRP 9 H TRP 9 0.540 -4.953 0.763
64 HA TRP 9 HA TRP 9 -0.414 -2.444 -0.316
65 HB2 TRP 9 HB3 TRP 9 -1.354 -4.399 1.742
66 HB3 TRP 9 HB2 TRP 9 -2.002 -2.777 1.781
67 HD1 TRP 9 HD1 TRP 9 -2.553 -6.016 0.300
68 HE1 TRP 9 HE1 TRP 9 -4.279 -5.917 -1.614
69 HE3 TRP 9 HE3 TRP 9 -2.735 -0.961 -0.325
70 HZ2 TRP 9 HZ2 TRP 9 -5.550 -3.934 -3.174
71 HZ3 TRP 9 HZ3 TRP 9 -4.230 -0.038 -2.045
72 HH2 TRP 9 HH2 TRP 9 -5.610 -1.493 -3.437
73 H THR 10 H THR 10 0.125 -0.473 0.419
74 HA THR 10 HA THR 10 1.272 -0.249 3.121
75 HB THR 10 HB THR 10 2.574 1.744 1.911
76 HG1 THR 10 HG1 THR 10 2.903 1.427 -0.165
77 HG21 THR 10 HG21 THR 10 3.262 -0.924 2.652
78 HG22 THR 10 HG22 THR 10 4.265 0.527 2.636
79 HG23 THR 10 HG23 THR 10 4.133 -0.470 1.187
80 H TRP 11 H TRP 11 0.741 1.574 4.296
81 HA TRP 11 HA TRP 11 -1.602 3.011 3.354
82 HB2 TRP 11 HB3 TRP 11 -1.581 2.115 5.645
83 HB3 TRP 11 HB2 TRP 11 -0.176 3.114 6.024
84 HD1 TRP 11 HD1 TRP 11 -0.609 5.602 6.693
85 HE1 TRP 11 HE1 TRP 11 -2.733 7.000 7.088
86 HE3 TRP 11 HE3 TRP 11 -4.077 2.386 4.741
87 HZ2 TRP 11 HZ2 TRP 11 -5.509 6.771 6.634
88 HZ3 TRP 11 HZ3 TRP 11 -6.444 3.054 4.762
89 HH2 TRP 11 HH2 TRP 11 -7.144 5.201 5.689
90 H LYS 12 H LYS 12 -1.055 4.575 1.929
91 HA LYS 12 HA LYS 12 0.043 6.985 2.839
92 HB2 LYS 12 HB3 LYS 12 2.059 5.215 2.411
93 HB3 LYS 12 HB2 LYS 12 1.941 5.960 0.823
94 HG2 LYS 12 HG3 LYS 12 2.135 8.186 1.941
95 HG3 LYS 12 HG2 LYS 12 2.465 7.330 3.449
96 HD2 LYS 12 HD3 LYS 12 4.611 7.583 2.772
97 HD3 LYS 12 HD2 LYS 12 4.249 6.121 1.853
98 HE2 LYS 12 HE3 LYS 12 3.808 7.393 -0.124
99 HE3 LYS 12 HE2 LYS 12 3.907 8.910 0.768
100 HZ1 LYS 12 HZ1 LYS 12 6.068 7.118 -0.091
101 HZ2 LYS 12 HZ2 LYS 12 6.291 8.056 1.298
102 HZ3 LYS 12 HZ3 LYS 12 5.970 8.804 -0.184
Start of MODEL 18
1 H1 SER 1 HT1 SER 1 -4.855 5.694 3.740
2 H2 SER 1 HT2 SER 1 -6.081 6.744 3.157
3 H3 SER 1 HT3 SER 1 -4.488 6.847 2.527
4 HA SER 1 HA SER 1 -6.528 4.791 2.111
5 HB2 SER 1 HB3 SER 1 -4.985 6.784 0.517
6 HB3 SER 1 HB2 SER 1 -5.407 5.264 -0.270
7 HG SER 1 HG SER 1 -6.939 7.280 -0.145
8 H TRP 2 H TRP 2 -5.643 3.139 0.448
9 HA TRP 2 HA TRP 2 -3.151 2.034 1.570
10 HB2 TRP 2 HB3 TRP 2 -5.602 0.736 0.394
11 HB3 TRP 2 HB2 TRP 2 -4.085 -0.137 0.565
12 HD1 TRP 2 HD1 TRP 2 -7.172 0.419 2.413
13 HE1 TRP 2 HE1 TRP 2 -6.863 -0.123 4.914
14 HE3 TRP 2 HE3 TRP 2 -2.088 0.292 2.565
15 HZ2 TRP 2 HZ2 TRP 2 -4.714 -0.538 6.718
16 HZ3 TRP 2 HZ3 TRP 2 -0.973 -0.163 4.694
17 HH2 TRP 2 HH2 TRP 2 -2.254 -0.576 6.738
18 H THR 3 H THR 3 -1.447 1.739 0.296
19 HA THR 3 HA THR 3 -1.799 2.054 -2.611
20 HB THR 3 HB THR 3 -0.547 3.924 -1.785
21 HG1 THR 3 HG1 THR 3 0.484 3.411 -3.573
22 HG21 THR 3 HG21 THR 3 0.925 1.895 -0.183
23 HG22 THR 3 HG22 THR 3 0.300 3.475 0.291
24 HG23 THR 3 HG23 THR 3 1.754 3.363 -0.701
25 H TRP 4 H TRP 4 -1.179 0.386 -3.853
26 HA TRP 4 HA TRP 4 0.146 -1.865 -2.532
27 HB2 TRP 4 HB3 TRP 4 -1.897 -2.508 -3.511
28 HB3 TRP 4 HB2 TRP 4 -1.610 -1.548 -4.953
29 HD1 TRP 4 HD1 TRP 4 -0.072 -2.610 -6.842
30 HE1 TRP 4 HE1 TRP 4 0.557 -5.062 -7.349
31 HE3 TRP 4 HE3 TRP 4 -1.331 -4.695 -2.364
32 HZ2 TRP 4 HZ2 TRP 4 0.514 -7.553 -6.006
33 HZ3 TRP 4 HZ3 TRP 4 -1.006 -7.110 -2.040
34 HH2 TRP 4 HH2 TRP 4 -0.105 -8.512 -3.828
35 H GLU 5 H GLU 5 2.207 -2.380 -3.004
36 HA GLU 5 HA GLU 5 3.352 -1.465 -5.536
37 HB2 GLU 5 HB3 GLU 5 3.758 0.050 -3.373
38 HB3 GLU 5 HB2 GLU 5 5.060 -1.115 -3.134
39 HG2 GLU 5 HG3 GLU 5 6.152 -0.484 -5.078
40 HG3 GLU 5 HG2 GLU 5 4.708 0.254 -5.768
41 H ASN 6 H ASN 6 4.300 -3.082 -6.513
42 HA ASN 6 HA ASN 6 5.215 -5.132 -6.910
43 HB2 ASN 6 HB3 ASN 6 7.042 -3.479 -5.845
44 HB3 ASN 6 HB2 ASN 6 7.114 -4.789 -4.662
45 HD21 ASN 6 HD21 ASN 6 7.218 -4.148 -8.137
46 HD22 ASN 6 HD22 ASN 6 8.311 -5.430 -8.519
47 H GLY 7 H GLY 7 2.981 -5.379 -5.107
48 HA2 GLY 7 HA3 GLY 7 2.155 -7.408 -4.217
49 HA3 GLY 7 HA2 GLY 7 3.798 -7.911 -3.900
50 H LYS 8 H LYS 8 2.886 -4.730 -2.824
51 HA LYS 8 HA LYS 8 2.282 -5.768 -0.159
52 HB2 LYS 8 HB3 LYS 8 4.841 -4.886 -0.841
53 HB3 LYS 8 HB2 LYS 8 4.133 -3.552 0.058
54 HG2 LYS 8 HG3 LYS 8 4.167 -6.392 1.046
55 HG3 LYS 8 HG2 LYS 8 5.410 -5.200 1.431
56 HD2 LYS 8 HD3 LYS 8 3.837 -3.814 2.566
57 HD3 LYS 8 HD2 LYS 8 2.479 -4.781 1.987
58 HE2 LYS 8 HE3 LYS 8 2.780 -5.474 4.200
59 HE3 LYS 8 HE2 LYS 8 3.566 -6.726 3.240
60 HZ1 LYS 8 HZ1 LYS 8 5.670 -5.342 3.620
61 HZ2 LYS 8 HZ2 LYS 8 5.087 -6.272 4.907
62 HZ3 LYS 8 HZ3 LYS 8 4.804 -4.605 4.874
63 H TRP 9 H TRP 9 0.794 -4.659 0.894
64 HA TRP 9 HA TRP 9 -0.253 -2.200 -0.283
65 HB2 TRP 9 HB3 TRP 9 -1.269 -4.248 1.648
66 HB3 TRP 9 HB2 TRP 9 -1.974 -2.648 1.685
67 HD1 TRP 9 HD1 TRP 9 -2.442 -5.855 0.176
68 HE1 TRP 9 HE1 TRP 9 -3.986 -5.752 -1.886
69 HE3 TRP 9 HE3 TRP 9 -2.437 -0.809 -0.556
70 HZ2 TRP 9 HZ2 TRP 9 -5.062 -3.773 -3.590
71 HZ3 TRP 9 HZ3 TRP 9 -3.748 0.113 -2.420
72 HH2 TRP 9 HH2 TRP 9 -5.035 -1.337 -3.903
73 H THR 10 H THR 10 0.176 -0.234 0.558
74 HA THR 10 HA THR 10 1.135 -0.089 3.339
75 HB THR 10 HB THR 10 2.179 1.904 1.407
76 HG1 THR 10 HG1 THR 10 3.081 0.483 0.185
77 HG21 THR 10 HG21 THR 10 4.314 1.292 2.684
78 HG22 THR 10 HG22 THR 10 3.233 0.456 3.799
79 HG23 THR 10 HG23 THR 10 3.056 2.190 3.532
80 H TRP 11 H TRP 11 0.518 1.702 4.536
81 HA TRP 11 HA TRP 11 -1.791 3.131 3.477
82 HB2 TRP 11 HB3 TRP 11 -1.962 2.077 5.699
83 HB3 TRP 11 HB2 TRP 11 -0.636 3.090 6.276
84 HD1 TRP 11 HD1 TRP 11 -1.234 5.480 7.110
85 HE1 TRP 11 HE1 TRP 11 -3.427 6.805 7.344
86 HE3 TRP 11 HE3 TRP 11 -4.342 2.386 4.473
87 HZ2 TRP 11 HZ2 TRP 11 -6.116 6.573 6.522
88 HZ3 TRP 11 HZ3 TRP 11 -6.710 3.013 4.246
89 HH2 TRP 11 HH2 TRP 11 -7.577 5.063 5.250
90 H LYS 12 H LYS 12 -1.232 4.848 2.276
91 HA LYS 12 HA LYS 12 -0.177 7.161 3.467
92 HB2 LYS 12 HB3 LYS 12 1.865 5.485 2.981
93 HB3 LYS 12 HB2 LYS 12 1.766 6.268 1.409
94 HG2 LYS 12 HG3 LYS 12 1.871 7.886 3.923
95 HG3 LYS 12 HG2 LYS 12 3.342 7.248 3.186
96 HD2 LYS 12 HD3 LYS 12 1.511 8.595 1.324
97 HD3 LYS 12 HD2 LYS 12 2.210 9.640 2.562
98 HE2 LYS 12 HE3 LYS 12 3.972 7.763 1.050
99 HE3 LYS 12 HE2 LYS 12 3.448 9.264 0.288
100 HZ1 LYS 12 HZ1 LYS 12 5.631 9.142 1.715
101 HZ2 LYS 12 HZ2 LYS 12 4.555 9.413 2.992
102 HZ3 LYS 12 HZ3 LYS 12 4.656 10.525 1.722
Start of MODEL 19
1 H1 SER 1 HT1 SER 1 -5.912 6.934 3.471
2 H2 SER 1 HT2 SER 1 -4.544 7.031 2.438
3 H3 SER 1 HT3 SER 1 -4.515 6.001 3.810
4 HA SER 1 HA SER 1 -6.521 4.903 2.737
5 HB2 SER 1 HB3 SER 1 -5.444 6.717 0.639
6 HB3 SER 1 HB2 SER 1 -5.914 5.098 0.122
7 HG SER 1 HG SER 1 -7.972 5.498 0.678
8 H TRP 2 H TRP 2 -5.877 3.185 0.891
9 HA TRP 2 HA TRP 2 -3.268 2.111 1.749
10 HB2 TRP 2 HB3 TRP 2 -5.844 0.794 0.923
11 HB3 TRP 2 HB2 TRP 2 -4.319 -0.081 0.888
12 HD1 TRP 2 HD1 TRP 2 -7.111 0.531 3.153
13 HE1 TRP 2 HE1 TRP 2 -6.448 0.007 5.590
14 HE3 TRP 2 HE3 TRP 2 -2.063 0.334 2.566
15 HZ2 TRP 2 HZ2 TRP 2 -4.064 -0.422 7.066
16 HZ3 TRP 2 HZ3 TRP 2 -0.656 -0.117 4.513
17 HH2 TRP 2 HH2 TRP 2 -1.628 -0.494 6.727
18 H THR 3 H THR 3 -1.720 1.786 0.305
19 HA THR 3 HA THR 3 -2.402 1.882 -2.558
20 HB THR 3 HB THR 3 -0.356 3.080 -3.004
21 HG1 THR 3 HG1 THR 3 1.147 3.473 -1.486
22 HG21 THR 3 HG21 THR 3 -0.795 5.178 -2.114
23 HG22 THR 3 HG22 THR 3 -1.436 4.513 -0.612
24 HG23 THR 3 HG23 THR 3 -2.366 4.378 -2.105
25 H TRP 4 H TRP 4 -1.713 0.168 -3.714
26 HA TRP 4 HA TRP 4 -0.167 -1.862 -2.325
27 HB2 TRP 4 HB3 TRP 4 -2.082 -2.704 -3.395
28 HB3 TRP 4 HB2 TRP 4 -1.814 -1.738 -4.836
29 HD1 TRP 4 HD1 TRP 4 0.198 -2.611 -6.487
30 HE1 TRP 4 HE1 TRP 4 0.938 -5.033 -6.992
31 HE3 TRP 4 HE3 TRP 4 -1.796 -4.919 -2.404
32 HZ2 TRP 4 HZ2 TRP 4 0.691 -7.589 -5.797
33 HZ3 TRP 4 HZ3 TRP 4 -1.508 -7.349 -2.148
34 HH2 TRP 4 HH2 TRP 4 -0.288 -8.656 -3.813
35 H GLU 5 H GLU 5 1.941 -2.190 -2.644
36 HA GLU 5 HA GLU 5 3.184 -1.304 -5.138
37 HB2 GLU 5 HB3 GLU 5 3.594 -0.100 -2.495
38 HB3 GLU 5 HB2 GLU 5 5.089 -0.548 -3.318
39 HG2 GLU 5 HG3 GLU 5 2.941 1.088 -4.633
40 HG3 GLU 5 HG2 GLU 5 4.246 1.803 -3.687
41 H ASN 6 H ASN 6 4.941 -2.458 -5.787
42 HA ASN 6 HA ASN 6 6.176 -4.366 -6.026
43 HB2 ASN 6 HB3 ASN 6 7.232 -2.774 -4.104
44 HB3 ASN 6 HB2 ASN 6 7.057 -4.286 -3.208
45 HD21 ASN 6 HD21 ASN 6 7.600 -6.189 -4.997
46 HD22 ASN 6 HD22 ASN 6 9.208 -6.030 -5.606
47 H GLY 7 H GLY 7 3.481 -4.966 -5.277
48 HA2 GLY 7 HA3 GLY 7 2.382 -6.956 -4.856
49 HA3 GLY 7 HA2 GLY 7 3.911 -7.664 -4.385
50 H LYS 8 H LYS 8 2.986 -4.724 -2.802
51 HA LYS 8 HA LYS 8 1.814 -6.188 -0.561
52 HB2 LYS 8 HB3 LYS 8 4.491 -4.952 -0.579
53 HB3 LYS 8 HB2 LYS 8 3.496 -4.559 0.817
54 HG2 LYS 8 HG3 LYS 8 4.040 -7.368 -0.111
55 HG3 LYS 8 HG2 LYS 8 4.991 -6.529 1.116
56 HD2 LYS 8 HD3 LYS 8 2.010 -6.908 1.311
57 HD3 LYS 8 HD2 LYS 8 3.176 -8.047 1.989
58 HE2 LYS 8 HE3 LYS 8 3.620 -5.229 2.698
59 HE3 LYS 8 HE2 LYS 8 2.130 -5.930 3.327
60 HZ1 LYS 8 HZ1 LYS 8 4.893 -6.529 4.004
61 HZ2 LYS 8 HZ2 LYS 8 3.851 -7.859 3.917
62 HZ3 LYS 8 HZ3 LYS 8 3.504 -6.581 4.970
63 H TRP 9 H TRP 9 0.470 -5.007 0.739
64 HA TRP 9 HA TRP 9 -0.468 -2.489 -0.335
65 HB2 TRP 9 HB3 TRP 9 -1.412 -4.435 1.726
66 HB3 TRP 9 HB2 TRP 9 -2.034 -2.804 1.785
67 HD1 TRP 9 HD1 TRP 9 -2.593 -6.024 0.234
68 HE1 TRP 9 HE1 TRP 9 -4.363 -5.886 -1.637
69 HE3 TRP 9 HE3 TRP 9 -2.849 -0.955 -0.221
70 HZ2 TRP 9 HZ2 TRP 9 -5.690 -3.869 -3.104
71 HZ3 TRP 9 HZ3 TRP 9 -4.392 0.004 -1.877
72 HH2 TRP 9 HH2 TRP 9 -5.785 -1.422 -3.285
73 H THR 10 H THR 10 0.099 -0.525 0.385
74 HA THR 10 HA THR 10 1.281 -0.303 3.074
75 HB THR 10 HB THR 10 2.589 1.672 1.846
76 HG1 THR 10 HG1 THR 10 2.318 -0.283 -0.186
77 HG21 THR 10 HG21 THR 10 4.357 -0.159 1.197
78 HG22 THR 10 HG22 THR 10 3.284 -1.197 2.137
79 HG23 THR 10 HG23 THR 10 4.008 0.229 2.882
80 H TRP 11 H TRP 11 0.875 1.610 4.204
81 HA TRP 11 HA TRP 11 -1.496 3.044 3.296
82 HB2 TRP 11 HB3 TRP 11 -1.481 2.157 5.586
83 HB3 TRP 11 HB2 TRP 11 -0.048 3.118 5.955
84 HD1 TRP 11 HD1 TRP 11 -0.403 5.642 6.571
85 HE1 TRP 11 HE1 TRP 11 -2.488 7.084 7.009
86 HE3 TRP 11 HE3 TRP 11 -3.988 2.457 4.786
87 HZ2 TRP 11 HZ2 TRP 11 -5.280 6.898 6.648
88 HZ3 TRP 11 HZ3 TRP 11 -6.340 3.167 4.871
89 HH2 TRP 11 HH2 TRP 11 -6.972 5.342 5.783
90 H LYS 12 H LYS 12 -0.934 4.596 1.863
91 HA LYS 12 HA LYS 12 0.297 6.962 2.797
92 HB2 LYS 12 HB3 LYS 12 2.215 5.197 2.234
93 HB3 LYS 12 HB2 LYS 12 1.943 5.800 0.605
94 HG2 LYS 12 HG3 LYS 12 2.341 8.095 1.424
95 HG3 LYS 12 HG2 LYS 12 2.709 7.431 3.017
96 HD2 LYS 12 HD3 LYS 12 4.755 6.736 2.388
97 HD3 LYS 12 HD2 LYS 12 4.189 6.191 0.807
98 HE2 LYS 12 HE3 LYS 12 3.967 8.875 0.532
99 HE3 LYS 12 HE2 LYS 12 5.347 8.771 1.625
100 HZ1 LYS 12 HZ1 LYS 12 5.994 8.770 -0.726
101 HZ2 LYS 12 HZ2 LYS 12 5.129 7.337 -0.967
102 HZ3 LYS 12 HZ3 LYS 12 6.471 7.351 0.062
Start of MODEL 20
1 H1 SER 1 HT1 SER 1 -4.554 6.834 2.448
2 H2 SER 1 HT2 SER 1 -4.776 5.726 3.739
3 H3 SER 1 HT3 SER 1 -6.080 6.713 3.219
4 HA SER 1 HA SER 1 -6.561 4.712 2.294
5 HB2 SER 1 HB3 SER 1 -6.433 5.145 -0.031
6 HB3 SER 1 HB2 SER 1 -6.371 6.739 0.721
7 HG SER 1 HG SER 1 -4.535 6.996 -0.241
8 H TRP 2 H TRP 2 -5.708 3.061 0.545
9 HA TRP 2 HA TRP 2 -3.172 1.996 1.607
10 HB2 TRP 2 HB3 TRP 2 -5.630 0.658 0.489
11 HB3 TRP 2 HB2 TRP 2 -4.096 -0.192 0.634
12 HD1 TRP 2 HD1 TRP 2 -7.155 0.331 2.539
13 HE1 TRP 2 HE1 TRP 2 -6.790 -0.192 5.037
14 HE3 TRP 2 HE3 TRP 2 -2.068 0.275 2.593
15 HZ2 TRP 2 HZ2 TRP 2 -4.602 -0.567 6.801
16 HZ3 TRP 2 HZ3 TRP 2 -0.906 -0.153 4.702
17 HH2 TRP 2 HH2 TRP 2 -2.142 -0.572 6.773
18 H THR 3 H THR 3 -1.507 1.631 0.284
19 HA THR 3 HA THR 3 -1.933 1.948 -2.614
20 HB THR 3 HB THR 3 0.434 2.803 -2.676
21 HG1 THR 3 HG1 THR 3 0.096 3.031 0.127
22 HG21 THR 3 HG21 THR 3 -1.615 4.350 -1.126
23 HG22 THR 3 HG22 THR 3 -1.197 4.487 -2.834
24 HG23 THR 3 HG23 THR 3 -0.058 5.028 -1.601
25 H TRP 4 H TRP 4 -1.301 0.277 -3.849
26 HA TRP 4 HA TRP 4 0.072 -1.939 -2.529
27 HB2 TRP 4 HB3 TRP 4 -1.934 -2.619 -3.556
28 HB3 TRP 4 HB2 TRP 4 -1.640 -1.640 -4.984
29 HD1 TRP 4 HD1 TRP 4 -0.020 -2.645 -6.841
30 HE1 TRP 4 HE1 TRP 4 0.669 -5.078 -7.361
31 HE3 TRP 4 HE3 TRP 4 -1.372 -4.814 -2.428
32 HZ2 TRP 4 HZ2 TRP 4 0.634 -7.587 -6.052
33 HZ3 TRP 4 HZ3 TRP 4 -1.010 -7.226 -2.127
34 HH2 TRP 4 HH2 TRP 4 -0.030 -8.586 -3.906
35 H GLU 5 H GLU 5 2.154 -2.416 -2.964
36 HA GLU 5 HA GLU 5 3.333 -1.453 -5.463
37 HB2 GLU 5 HB3 GLU 5 4.408 -0.860 -2.707
38 HB3 GLU 5 HB2 GLU 5 5.336 -0.644 -4.191
39 HG2 GLU 5 HG3 GLU 5 3.017 0.719 -4.724
40 HG3 GLU 5 HG2 GLU 5 3.269 1.030 -3.007
41 H ASN 6 H ASN 6 4.334 -3.035 -6.439
42 HA ASN 6 HA ASN 6 5.299 -5.059 -6.847
43 HB2 ASN 6 HB3 ASN 6 6.984 -3.811 -4.701
44 HB3 ASN 6 HB2 ASN 6 7.419 -5.374 -5.399
45 HD21 ASN 6 HD21 ASN 6 7.356 -5.370 -7.865
46 HD22 ASN 6 HD22 ASN 6 8.097 -4.013 -8.636
47 H GLY 7 H GLY 7 3.035 -5.379 -5.091
48 HA2 GLY 7 HA3 GLY 7 2.231 -7.437 -4.249
49 HA3 GLY 7 HA2 GLY 7 3.877 -7.916 -3.915
50 H LYS 8 H LYS 8 2.892 -4.773 -2.795
51 HA LYS 8 HA LYS 8 2.219 -5.855 -0.170
52 HB2 LYS 8 HB3 LYS 8 4.763 -4.568 -0.838
53 HB3 LYS 8 HB2 LYS 8 3.959 -3.860 0.556
54 HG2 LYS 8 HG3 LYS 8 4.092 -6.804 0.497
55 HG3 LYS 8 HG2 LYS 8 5.624 -5.953 0.704
56 HD2 LYS 8 HD3 LYS 8 5.014 -6.064 2.889
57 HD3 LYS 8 HD2 LYS 8 4.150 -4.586 2.461
58 HE2 LYS 8 HE3 LYS 8 2.101 -5.624 2.453
59 HE3 LYS 8 HE2 LYS 8 2.786 -7.207 2.084
60 HZ1 LYS 8 HZ1 LYS 8 3.241 -7.622 4.259
61 HZ2 LYS 8 HZ2 LYS 8 1.891 -6.624 4.466
62 HZ3 LYS 8 HZ3 LYS 8 3.447 -5.991 4.663
63 H TRP 9 H TRP 9 0.701 -4.746 0.836
64 HA TRP 9 HA TRP 9 -0.271 -2.258 -0.323
65 HB2 TRP 9 HB3 TRP 9 -1.324 -4.281 1.613
66 HB3 TRP 9 HB2 TRP 9 -1.999 -2.669 1.651
67 HD1 TRP 9 HD1 TRP 9 -2.500 -5.868 0.123
68 HE1 TRP 9 HE1 TRP 9 -4.055 -5.736 -1.929
69 HE3 TRP 9 HE3 TRP 9 -2.466 -0.817 -0.560
70 HZ2 TRP 9 HZ2 TRP 9 -5.126 -3.733 -3.608
71 HZ3 TRP 9 HZ3 TRP 9 -3.781 0.133 -2.408
72 HH2 TRP 9 HH2 TRP 9 -5.085 -1.294 -3.898
73 H THR 10 H THR 10 0.188 -0.296 0.503
74 HA THR 10 HA THR 10 1.142 -0.142 3.285
75 HB THR 10 HB THR 10 2.216 1.744 1.231
76 HG1 THR 10 HG1 THR 10 3.089 -0.920 1.630
77 HG21 THR 10 HG21 THR 10 3.006 2.317 3.321
78 HG22 THR 10 HG22 THR 10 4.302 1.308 2.678
79 HG23 THR 10 HG23 THR 10 3.155 0.638 3.839
80 H TRP 11 H TRP 11 0.485 1.612 4.483
81 HA TRP 11 HA TRP 11 -1.792 3.066 3.424
82 HB2 TRP 11 HB3 TRP 11 -1.905 2.086 5.686
83 HB3 TRP 11 HB2 TRP 11 -0.562 3.113 6.191
84 HD1 TRP 11 HD1 TRP 11 -1.123 5.550 6.926
85 HE1 TRP 11 HE1 TRP 11 -3.308 6.884 7.186
86 HE3 TRP 11 HE3 TRP 11 -4.327 2.337 4.560
87 HZ2 TRP 11 HZ2 TRP 11 -6.027 6.612 6.484
88 HZ3 TRP 11 HZ3 TRP 11 -6.703 2.952 4.400
89 HH2 TRP 11 HH2 TRP 11 -7.535 5.045 5.342
90 H LYS 12 H LYS 12 -1.162 4.680 2.093
91 HA LYS 12 HA LYS 12 -0.146 7.066 3.160
92 HB2 LYS 12 HB3 LYS 12 1.905 5.334 2.834
93 HB3 LYS 12 HB2 LYS 12 1.883 6.084 1.243
94 HG2 LYS 12 HG3 LYS 12 1.708 8.000 3.438
95 HG3 LYS 12 HG2 LYS 12 3.193 7.046 3.437
96 HD2 LYS 12 HD3 LYS 12 2.235 8.277 0.890
97 HD3 LYS 12 HD2 LYS 12 3.055 9.283 2.086
98 HE2 LYS 12 HE3 LYS 12 4.766 7.245 2.036
99 HE3 LYS 12 HE2 LYS 12 4.107 7.073 0.410
100 HZ1 LYS 12 HZ1 LYS 12 4.579 9.635 0.353
101 HZ2 LYS 12 HZ2 LYS 12 5.805 8.518 0.021
102 HZ3 LYS 12 HZ3 LYS 12 5.713 9.242 1.546