Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
585573 | 2mih RC | 19679 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 -1.677 -3.314 -4.104
2 H2 HIS 1 HT2 HIS 1 -0.440 -4.462 -4.180
3 H3 HIS 1 HT3 HIS 1 -0.777 -3.498 -5.526
4 HA HIS 1 HA HIS 1 0.194 -2.511 -2.932
5 HB2 HIS 1 HB2 HIS 1 1.639 -3.216 -5.457
6 HB3 HIS 1 HB1 HIS 1 2.239 -1.901 -4.457
7 HD1 HIS 1 HD1 HIS 1 3.623 -2.520 -2.458
8 HD2 HIS 1 HD2 HIS 1 1.673 -5.794 -4.118
9 HE1 HIS 1 HE1 HIS 1 4.480 -4.518 -1.191
10 HE2 HIS 1 HE2 HIS 1 3.449 -6.499 -2.372
11 H GLN 2 HN GLN 2 -1.399 -0.886 -2.916
12 HA GLN 2 HA GLN 2 -1.822 0.779 -5.199
13 HB2 GLN 2 HB2 GLN 2 -2.681 1.398 -2.382
14 HB3 GLN 2 HB1 GLN 2 -3.397 1.982 -3.877
15 HG2 GLN 2 HG2 GLN 2 -3.492 -0.807 -2.765
16 HG3 GLN 2 HG1 GLN 2 -4.829 0.324 -2.955
17 HE21 GLN 2 HE21 GLN 2 -4.387 -2.403 -3.967
18 HE22 GLN 2 HE22 GLN 2 -4.596 -2.295 -5.685
19 H VAL 3 HN VAL 3 -1.203 2.218 -2.020
20 HA VAL 3 HA VAL 3 0.874 3.875 -3.292
21 HB VAL 3 HB VAL 3 -1.115 4.880 -1.252
22 HG11 VAL 3 HG11 VAL 3 0.983 6.098 -1.260
23 HG12 VAL 3 HG12 VAL 3 -0.304 7.095 -1.937
24 HG13 VAL 3 HG13 VAL 3 0.868 6.324 -3.005
25 HG21 VAL 3 HG21 VAL 3 -2.212 6.059 -3.088
26 HG22 VAL 3 HG22 VAL 3 -2.276 4.313 -3.323
27 HG23 VAL 3 HG23 VAL 3 -1.125 5.284 -4.241
28 HA PRO 4 HA PRO 4 2.699 2.343 0.671
29 HB2 PRO 4 HB2 PRO 4 4.597 0.833 -0.904
30 HB3 PRO 4 HB1 PRO 4 3.375 0.226 0.217
31 HG2 PRO 4 HG2 PRO 4 3.200 -0.228 -2.436
32 HG3 PRO 4 HG1 PRO 4 1.768 0.042 -1.417
33 HD2 PRO 4 HD2 PRO 4 3.265 2.075 -3.075
34 HD3 PRO 4 HD1 PRO 4 1.529 1.663 -3.133
35 H SER 5 HN SER 5 5.051 2.254 1.251
36 HA SER 5 HA SER 5 6.871 3.742 -0.471
37 HB2 SER 5 HB2 SER 5 7.764 4.880 1.630
38 HB3 SER 5 HB1 SER 5 6.193 5.454 1.072
39 HG SER 5 HG SER 5 6.872 4.080 3.374
40 H GLY 6 HN GLY 6 6.479 1.006 -0.076
41 HA2 GLY 6 HA2 GLY 6 8.966 -0.033 0.602
42 HA3 GLY 6 HA1 GLY 6 7.950 -0.144 2.036
43 HA PRO 7 HA PRO 7 7.119 -3.877 -0.521
44 HB2 PRO 7 HB2 PRO 7 7.327 -5.725 1.397
45 HB3 PRO 7 HB1 PRO 7 8.760 -4.961 0.698
46 HG2 PRO 7 HG2 PRO 7 7.392 -4.403 3.297
47 HG3 PRO 7 HG1 PRO 7 9.126 -4.482 2.939
48 HD2 PRO 7 HD2 PRO 7 7.656 -2.145 3.129
49 HD3 PRO 7 HD1 PRO 7 9.195 -2.304 2.261
50 H ASN 8 HN ASN 8 5.218 -2.177 1.513
51 HA ASN 8 HA ASN 8 2.941 -3.749 0.766
52 HB2 ASN 8 HB2 ASN 8 2.071 -4.110 3.011
53 HB3 ASN 8 HB1 ASN 8 3.645 -4.875 2.836
54 HD21 ASN 8 HD21 ASN 8 1.802 -2.471 4.470
55 HD22 ASN 8 HD22 ASN 8 3.028 -1.982 5.590
56 HA PRO 9 HA PRO 9 1.441 0.389 0.398
57 HB2 PRO 9 HB2 PRO 9 -1.229 -0.892 0.653
58 HB3 PRO 9 HB1 PRO 9 -0.604 0.168 -0.617
59 HG2 PRO 9 HG2 PRO 9 -0.821 -2.403 -1.120
60 HG3 PRO 9 HG1 PRO 9 0.653 -1.534 -1.590
61 HD2 PRO 9 HD2 PRO 9 0.202 -3.273 0.821
62 HD3 PRO 9 HD1 PRO 9 1.536 -3.317 -0.357
63 H LEU 10 HN LEU 10 1.517 1.774 1.951
64 HA LEU 10 HA LEU 10 0.644 1.030 4.596
65 HB2 LEU 10 HB2 LEU 10 1.993 3.521 3.570
66 HB3 LEU 10 HB1 LEU 10 1.493 3.331 5.236
67 HG LEU 10 HG LEU 10 3.771 2.851 5.257
68 HD11 LEU 10 HD11 LEU 10 2.435 0.170 4.990
69 HD12 LEU 10 HD12 LEU 10 2.453 1.172 6.439
70 HD13 LEU 10 HD13 LEU 10 3.959 0.508 5.809
71 HD21 LEU 10 HD21 LEU 10 4.142 2.733 2.868
72 HD22 LEU 10 HD22 LEU 10 3.376 1.146 2.808
73 HD23 LEU 10 HD23 LEU 10 4.895 1.362 3.680
74 H HIS 11 HN HIS 11 -0.968 1.993 2.073
75 HA HIS 11 HA HIS 11 -3.155 3.151 3.517
76 HB2 HIS 11 HB2 HIS 11 -1.569 5.103 3.026
77 HB3 HIS 11 HB1 HIS 11 -1.908 4.831 1.322
78 HD1 HIS 11 HD1 HIS 11 -3.478 6.091 4.483
79 HD2 HIS 11 HD2 HIS 11 -4.366 5.804 0.434
80 HE1 HIS 11 HE1 HIS 11 -5.512 7.528 4.131
81 HE2 HIS 11 HE2 HIS 11 -5.912 7.486 1.646
82 H ASN 12 HN ASN 12 -5.056 3.303 2.186
83 HA ASN 12 HA ASN 12 -6.529 2.503 0.664
84 HB2 ASN 12 HB2 ASN 12 -4.126 2.046 -1.119
85 HB3 ASN 12 HB1 ASN 12 -5.808 1.978 -1.626
86 HD21 ASN 12 HD21 ASN 12 -6.997 3.907 -1.744
87 HD22 ASN 12 HD22 ASN 12 -6.207 5.443 -1.851
88 H LYS 13 HN LYS 13 -4.885 0.892 2.576
89 HA LYS 13 HA LYS 13 -5.019 -1.207 3.411
90 HB2 LYS 13 HB2 LYS 13 -7.315 -1.299 2.546
91 HB3 LYS 13 HB1 LYS 13 -6.710 -1.856 0.992
92 HG2 LYS 13 HG2 LYS 13 -5.792 -3.862 2.127
93 HG3 LYS 13 HG1 LYS 13 -6.548 -3.314 3.621
94 HD2 LYS 13 HD2 LYS 13 -8.020 -3.897 1.059
95 HD3 LYS 13 HD1 LYS 13 -7.882 -5.007 2.421
96 HE2 LYS 13 HE2 LYS 13 -9.026 -3.398 3.857
97 HE3 LYS 13 HE1 LYS 13 -9.144 -2.269 2.509
98 HZ1 LYS 13 HZ1 LYS 13 -11.202 -3.509 2.850
99 HZ2 LYS 13 HZ2 LYS 13 -10.386 -4.964 2.592
100 HZ3 LYS 13 HZ3 LYS 13 -10.529 -3.842 1.334
101 H LYS 14 HN LYS 14 -5.039 -2.081 -0.057
102 HA LYS 14 HA LYS 14 -2.258 -2.748 -0.014
103 HB2 LYS 14 HB2 LYS 14 -2.489 -5.153 -0.364
104 HB3 LYS 14 HB1 LYS 14 -3.132 -4.680 1.201
105 HG2 LYS 14 HG2 LYS 14 -5.390 -4.839 0.363
106 HG3 LYS 14 HG1 LYS 14 -4.792 -5.207 -1.254
107 HD2 LYS 14 HD2 LYS 14 -3.691 -7.231 -0.303
108 HD3 LYS 14 HD1 LYS 14 -4.485 -6.874 1.231
109 HE2 LYS 14 HE2 LYS 14 -5.757 -8.530 0.009
110 HE3 LYS 14 HE1 LYS 14 -6.670 -7.026 0.117
111 HZ1 LYS 14 HZ1 LYS 14 -5.967 -6.491 -2.141
112 HZ2 LYS 14 HZ2 LYS 14 -6.795 -7.962 -2.099
113 HZ3 LYS 14 HZ3 LYS 14 -5.112 -7.943 -2.238
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 1.963 -3.371 -6.377
2 H2 HIS 1 HT2 HIS 1 2.740 -4.060 -5.048
3 H3 HIS 1 HT3 HIS 1 3.135 -2.488 -5.538
4 HA HIS 1 HA HIS 1 0.540 -3.387 -4.416
5 HB2 HIS 1 HB2 HIS 1 2.426 -1.318 -3.287
6 HB3 HIS 1 HB1 HIS 1 1.050 -2.065 -2.499
7 HD1 HIS 1 HD1 HIS 1 1.538 -4.038 -1.035
8 HD2 HIS 1 HD2 HIS 1 4.702 -3.124 -3.565
9 HE1 HIS 1 HE1 HIS 1 3.517 -5.307 -0.133
10 HE2 HIS 1 HE2 HIS 1 5.431 -4.677 -1.632
11 H GLN 2 HN GLN 2 -0.589 -1.109 -3.677
12 HA GLN 2 HA GLN 2 -1.116 0.283 -6.092
13 HB2 GLN 2 HB2 GLN 2 -2.804 0.011 -4.313
14 HB3 GLN 2 HB1 GLN 2 -1.873 1.081 -3.281
15 HG2 GLN 2 HG2 GLN 2 -3.702 2.294 -4.239
16 HG3 GLN 2 HG1 GLN 2 -2.191 2.895 -4.916
17 HE21 GLN 2 HE21 GLN 2 -1.722 2.495 -7.093
18 HE22 GLN 2 HE22 GLN 2 -2.933 1.964 -8.205
19 H VAL 3 HN VAL 3 -0.465 2.266 -3.239
20 HA VAL 3 HA VAL 3 1.985 3.268 -4.483
21 HB VAL 3 HB VAL 3 -0.212 5.134 -3.555
22 HG11 VAL 3 HG11 VAL 3 1.211 6.904 -4.465
23 HG12 VAL 3 HG12 VAL 3 2.444 5.709 -4.867
24 HG13 VAL 3 HG13 VAL 3 2.032 6.018 -3.181
25 HG21 VAL 3 HG21 VAL 3 -0.409 5.788 -5.913
26 HG22 VAL 3 HG22 VAL 3 -0.821 4.092 -5.672
27 HG23 VAL 3 HG23 VAL 3 0.744 4.530 -6.354
28 HA PRO 4 HA PRO 4 2.680 3.207 0.049
29 HB2 PRO 4 HB2 PRO 4 4.352 1.002 0.021
30 HB3 PRO 4 HB1 PRO 4 2.634 0.963 0.411
31 HG2 PRO 4 HG2 PRO 4 3.922 -0.210 -1.832
32 HG3 PRO 4 HG1 PRO 4 2.185 -0.130 -1.501
33 HD2 PRO 4 HD2 PRO 4 3.860 1.593 -3.254
34 HD3 PRO 4 HD1 PRO 4 2.142 1.156 -3.401
35 H SER 5 HN SER 5 5.009 2.783 1.073
36 HA SER 5 HA SER 5 7.074 3.815 -0.751
37 HB2 SER 5 HB2 SER 5 6.851 4.346 2.225
38 HB3 SER 5 HB1 SER 5 8.062 5.012 1.128
39 HG SER 5 HG SER 5 5.344 5.419 0.558
40 H GLY 6 HN GLY 6 6.274 1.101 -0.181
41 HA2 GLY 6 HA2 GLY 6 8.601 -0.292 0.073
42 HA3 GLY 6 HA1 GLY 6 8.060 -0.065 1.728
43 HA PRO 7 HA PRO 7 5.720 -3.880 1.066
44 HB2 PRO 7 HB2 PRO 7 4.585 -3.048 3.678
45 HB3 PRO 7 HB1 PRO 7 5.366 -4.565 3.223
46 HG2 PRO 7 HG2 PRO 7 6.615 -2.813 4.782
47 HG3 PRO 7 HG1 PRO 7 7.501 -3.707 3.531
48 HD2 PRO 7 HD2 PRO 7 6.496 -0.883 3.486
49 HD3 PRO 7 HD1 PRO 7 8.056 -1.531 2.935
50 H ASN 8 HN ASN 8 3.201 -3.479 2.859
51 HA ASN 8 HA ASN 8 1.438 -3.299 0.724
52 HB2 ASN 8 HB2 ASN 8 -0.325 -3.384 2.327
53 HB3 ASN 8 HB1 ASN 8 1.001 -4.356 2.949
54 HD21 ASN 8 HD21 ASN 8 2.482 -1.873 3.771
55 HD22 ASN 8 HD22 ASN 8 1.686 -1.357 5.216
56 HA PRO 9 HA PRO 9 0.840 0.836 -0.418
57 HB2 PRO 9 HB2 PRO 9 -2.088 0.566 -0.139
58 HB3 PRO 9 HB1 PRO 9 -1.119 0.939 -1.563
59 HG2 PRO 9 HG2 PRO 9 -2.268 -1.447 -1.270
60 HG3 PRO 9 HG1 PRO 9 -0.662 -1.283 -1.999
61 HD2 PRO 9 HD2 PRO 9 -1.410 -2.151 0.763
62 HD3 PRO 9 HD1 PRO 9 -0.156 -2.790 -0.320
63 H LEU 10 HN LEU 10 1.681 1.305 1.812
64 HA LEU 10 HA LEU 10 1.743 2.531 3.700
65 HB2 LEU 10 HB2 LEU 10 1.254 4.231 1.904
66 HB3 LEU 10 HB1 LEU 10 -0.429 4.156 2.379
67 HG LEU 10 HG LEU 10 0.278 4.892 4.677
68 HD11 LEU 10 HD11 LEU 10 2.889 5.405 3.266
69 HD12 LEU 10 HD12 LEU 10 2.612 4.246 4.565
70 HD13 LEU 10 HD13 LEU 10 2.464 5.974 4.879
71 HD21 LEU 10 HD21 LEU 10 0.525 7.234 4.041
72 HD22 LEU 10 HD22 LEU 10 -0.705 6.434 3.063
73 HD23 LEU 10 HD23 LEU 10 0.892 6.750 2.386
74 H HIS 11 HN HIS 11 -0.275 0.360 3.481
75 HA HIS 11 HA HIS 11 -2.011 -0.588 4.557
76 HB2 HIS 11 HB2 HIS 11 -0.243 -0.245 6.372
77 HB3 HIS 11 HB1 HIS 11 -1.234 1.098 6.932
78 HD1 HIS 11 HD1 HIS 11 -1.521 -2.643 6.338
79 HD2 HIS 11 HD2 HIS 11 -3.244 0.367 8.634
80 HE1 HIS 11 HE1 HIS 11 -3.096 -3.808 7.918
81 HE2 HIS 11 HE2 HIS 11 -4.016 -1.984 9.386
82 H ASN 12 HN ASN 12 -2.633 1.910 3.147
83 HA ASN 12 HA ASN 12 -5.186 2.350 4.561
84 HB2 ASN 12 HB2 ASN 12 -5.498 4.383 3.251
85 HB3 ASN 12 HB1 ASN 12 -3.961 4.460 4.101
86 HD21 ASN 12 HD21 ASN 12 -2.080 4.488 2.950
87 HD22 ASN 12 HD22 ASN 12 -2.018 4.672 1.232
88 H LYS 13 HN LYS 13 -3.721 0.545 2.375
89 HA LYS 13 HA LYS 13 -6.132 -0.321 1.076
90 HB2 LYS 13 HB2 LYS 13 -3.977 1.121 -0.460
91 HB3 LYS 13 HB1 LYS 13 -4.946 -0.122 -1.231
92 HG2 LYS 13 HG2 LYS 13 -6.079 2.334 0.084
93 HG3 LYS 13 HG1 LYS 13 -5.737 2.190 -1.641
94 HD2 LYS 13 HD2 LYS 13 -7.312 0.350 -1.816
95 HD3 LYS 13 HD1 LYS 13 -7.603 0.417 -0.077
96 HE2 LYS 13 HE2 LYS 13 -8.524 2.648 -0.290
97 HE3 LYS 13 HE1 LYS 13 -8.173 2.651 -2.017
98 HZ1 LYS 13 HZ1 LYS 13 -10.019 0.751 -0.673
99 HZ2 LYS 13 HZ2 LYS 13 -9.737 0.872 -2.338
100 HZ3 LYS 13 HZ3 LYS 13 -10.504 2.135 -1.518
101 H LYS 14 HN LYS 14 -5.533 -2.190 -0.458
102 HA LYS 14 HA LYS 14 -2.926 -3.294 -0.323
103 HB2 LYS 14 HB2 LYS 14 -3.547 -5.412 0.854
104 HB3 LYS 14 HB1 LYS 14 -3.484 -4.000 1.892
105 HG2 LYS 14 HG2 LYS 14 -5.931 -3.852 1.824
106 HG3 LYS 14 HG1 LYS 14 -5.976 -5.289 0.799
107 HD2 LYS 14 HD2 LYS 14 -4.962 -6.612 2.551
108 HD3 LYS 14 HD1 LYS 14 -4.804 -5.185 3.576
109 HE2 LYS 14 HE2 LYS 14 -7.398 -6.377 2.601
110 HE3 LYS 14 HE1 LYS 14 -6.721 -6.576 4.216
111 HZ1 LYS 14 HZ1 LYS 14 -7.547 -3.999 2.994
112 HZ2 LYS 14 HZ2 LYS 14 -6.899 -4.188 4.543
113 HZ3 LYS 14 HZ3 LYS 14 -8.407 -4.851 4.173
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 -0.086 -3.803 -4.795
2 H2 HIS 1 HT2 HIS 1 1.347 -4.574 -4.342
3 H3 HIS 1 HT3 HIS 1 1.268 -3.729 -5.805
4 HA HIS 1 HA HIS 1 1.075 -2.546 -3.098
5 HB2 HIS 1 HB2 HIS 1 3.264 -2.489 -5.183
6 HB3 HIS 1 HB1 HIS 1 3.205 -1.391 -3.811
7 HD1 HIS 1 HD1 HIS 1 3.741 -2.374 -1.474
8 HD2 HIS 1 HD2 HIS 1 4.015 -5.118 -4.583
9 HE1 HIS 1 HE1 HIS 1 4.814 -4.414 -0.474
10 HE2 HIS 1 HE2 HIS 1 4.789 -6.119 -2.334
11 H GLN 2 HN GLN 2 -0.824 -1.488 -3.560
12 HA GLN 2 HA GLN 2 -1.448 -0.062 -5.850
13 HB2 GLN 2 HB2 GLN 2 -3.048 -0.713 -4.093
14 HB3 GLN 2 HB1 GLN 2 -2.346 0.489 -3.019
15 HG2 GLN 2 HG2 GLN 2 -4.409 1.296 -3.992
16 HG3 GLN 2 HG1 GLN 2 -3.044 2.258 -4.546
17 HE21 GLN 2 HE21 GLN 2 -4.095 2.967 -6.371
18 HE22 GLN 2 HE22 GLN 2 -4.434 1.939 -7.720
19 H VAL 3 HN VAL 3 -1.007 1.794 -2.846
20 HA VAL 3 HA VAL 3 1.043 3.404 -4.196
21 HB VAL 3 HB VAL 3 -1.256 4.633 -2.652
22 HG11 VAL 3 HG11 VAL 3 0.835 5.879 -2.442
23 HG12 VAL 3 HG12 VAL 3 -0.337 6.768 -3.414
24 HG13 VAL 3 HG13 VAL 3 0.995 5.921 -4.198
25 HG21 VAL 3 HG21 VAL 3 -2.021 3.815 -4.818
26 HG22 VAL 3 HG22 VAL 3 -0.710 4.676 -5.619
27 HG23 VAL 3 HG23 VAL 3 -1.981 5.576 -4.792
28 HA PRO 4 HA PRO 4 2.312 2.608 0.131
29 HB2 PRO 4 HB2 PRO 4 4.342 0.842 -0.488
30 HB3 PRO 4 HB1 PRO 4 2.693 0.378 -0.076
31 HG2 PRO 4 HG2 PRO 4 4.011 0.066 -2.583
32 HG3 PRO 4 HG1 PRO 4 2.327 -0.315 -2.191
33 HD2 PRO 4 HD2 PRO 4 3.461 2.094 -3.511
34 HD3 PRO 4 HD1 PRO 4 1.854 1.354 -3.689
35 H SER 5 HN SER 5 4.492 2.798 1.133
36 HA SER 5 HA SER 5 6.402 4.309 -0.513
37 HB2 SER 5 HB2 SER 5 5.919 4.654 2.460
38 HB3 SER 5 HB1 SER 5 6.986 5.624 1.444
39 HG SER 5 HG SER 5 4.833 5.938 0.214
40 H GLY 6 HN GLY 6 6.417 1.586 -0.440
41 HA2 GLY 6 HA2 GLY 6 8.741 0.533 -0.106
42 HA3 GLY 6 HA1 GLY 6 8.384 0.799 1.595
43 HA PRO 7 HA PRO 7 7.047 -3.512 0.873
44 HB2 PRO 7 HB2 PRO 7 7.137 -3.530 3.824
45 HB3 PRO 7 HB1 PRO 7 7.931 -4.602 2.667
46 HG2 PRO 7 HG2 PRO 7 9.318 -2.786 4.060
47 HG3 PRO 7 HG1 PRO 7 9.730 -3.183 2.382
48 HD2 PRO 7 HD2 PRO 7 8.252 -0.816 3.459
49 HD3 PRO 7 HD1 PRO 7 9.472 -0.895 2.172
50 H ASN 8 HN ASN 8 5.129 -4.437 1.009
51 HA ASN 8 HA ASN 8 2.897 -4.671 1.080
52 HB2 ASN 8 HB2 ASN 8 3.362 -4.943 3.453
53 HB3 ASN 8 HB1 ASN 8 3.201 -3.211 3.707
54 HD21 ASN 8 HD21 ASN 8 1.167 -2.294 3.761
55 HD22 ASN 8 HD22 ASN 8 -0.286 -3.226 3.822
56 HA PRO 9 HA PRO 9 1.227 -0.835 -0.509
57 HB2 PRO 9 HB2 PRO 9 -1.443 -1.939 -0.318
58 HB3 PRO 9 HB1 PRO 9 -0.511 -1.585 -1.770
59 HG2 PRO 9 HG2 PRO 9 -1.138 -4.113 -0.920
60 HG3 PRO 9 HG1 PRO 9 0.251 -3.727 -1.941
61 HD2 PRO 9 HD2 PRO 9 0.136 -4.312 0.972
62 HD3 PRO 9 HD1 PRO 9 1.404 -4.703 -0.211
63 H LEU 10 HN LEU 10 1.448 0.568 1.160
64 HA LEU 10 HA LEU 10 0.873 0.006 3.766
65 HB2 LEU 10 HB2 LEU 10 0.992 2.731 2.465
66 HB3 LEU 10 HB1 LEU 10 1.063 2.448 4.193
67 HG LEU 10 HG LEU 10 3.101 1.571 2.149
68 HD11 LEU 10 HD11 LEU 10 3.171 3.949 2.669
69 HD12 LEU 10 HD12 LEU 10 4.575 3.114 3.330
70 HD13 LEU 10 HD13 LEU 10 3.245 3.578 4.390
71 HD21 LEU 10 HD21 LEU 10 2.919 -0.115 3.873
72 HD22 LEU 10 HD22 LEU 10 3.020 1.121 5.127
73 HD23 LEU 10 HD23 LEU 10 4.408 0.804 4.088
74 H HIS 11 HN HIS 11 -0.827 0.362 5.155
75 HA HIS 11 HA HIS 11 -3.356 -0.071 4.169
76 HB2 HIS 11 HB2 HIS 11 -4.209 0.324 6.403
77 HB3 HIS 11 HB1 HIS 11 -2.682 -0.539 6.500
78 HD1 HIS 11 HD1 HIS 11 -0.749 0.618 7.705
79 HD2 HIS 11 HD2 HIS 11 -4.157 2.977 7.380
80 HE1 HIS 11 HE1 HIS 11 -0.355 2.588 9.215
81 HE2 HIS 11 HE2 HIS 11 -2.508 3.894 9.151
82 H ASN 12 HN ASN 12 -5.214 1.079 3.959
83 HA ASN 12 HA ASN 12 -6.549 2.791 3.335
84 HB2 ASN 12 HB2 ASN 12 -4.344 4.553 4.415
85 HB3 ASN 12 HB1 ASN 12 -5.836 5.177 3.722
86 HD21 ASN 12 HD21 ASN 12 -6.470 6.137 5.625
87 HD22 ASN 12 HD22 ASN 12 -7.027 5.228 6.988
88 H LYS 13 HN LYS 13 -3.643 1.975 2.073
89 HA LYS 13 HA LYS 13 -4.397 3.128 -0.505
90 HB2 LYS 13 HB2 LYS 13 -1.640 3.351 0.717
91 HB3 LYS 13 HB1 LYS 13 -1.973 3.615 -0.988
92 HG2 LYS 13 HG2 LYS 13 -3.483 5.462 -0.382
93 HG3 LYS 13 HG1 LYS 13 -3.074 5.212 1.316
94 HD2 LYS 13 HD2 LYS 13 -0.730 5.696 0.815
95 HD3 LYS 13 HD1 LYS 13 -1.144 5.938 -0.882
96 HE2 LYS 13 HE2 LYS 13 -0.949 8.075 0.248
97 HE3 LYS 13 HE1 LYS 13 -2.616 7.791 -0.250
98 HZ1 LYS 13 HZ1 LYS 13 -2.442 8.695 2.003
99 HZ2 LYS 13 HZ2 LYS 13 -1.568 7.333 2.490
100 HZ3 LYS 13 HZ3 LYS 13 -3.173 7.173 1.991
101 H LYS 14 HN LYS 14 -4.929 0.588 0.260
102 HA LYS 14 HA LYS 14 -2.881 -1.005 -1.118
103 HB2 LYS 14 HB2 LYS 14 -3.017 -2.756 0.420
104 HB3 LYS 14 HB1 LYS 14 -3.109 -1.335 1.448
105 HG2 LYS 14 HG2 LYS 14 -5.453 -3.002 0.553
106 HG3 LYS 14 HG1 LYS 14 -4.678 -3.066 2.135
107 HD2 LYS 14 HD2 LYS 14 -5.364 -0.841 2.640
108 HD3 LYS 14 HD1 LYS 14 -5.946 -0.589 0.994
109 HE2 LYS 14 HE2 LYS 14 -7.553 -2.493 1.409
110 HE3 LYS 14 HE1 LYS 14 -7.089 -2.396 3.108
111 HZ1 LYS 14 HZ1 LYS 14 -8.251 -0.176 1.520
112 HZ2 LYS 14 HZ2 LYS 14 -7.849 -0.115 3.161
113 HZ3 LYS 14 HZ3 LYS 14 -9.095 -1.127 2.635
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 -0.871 -3.182 -4.614
2 H2 HIS 1 HT2 HIS 1 0.370 -4.281 -4.291
3 H3 HIS 1 HT3 HIS 1 0.334 -3.458 -5.767
4 HA HIS 1 HA HIS 1 0.757 -2.257 -3.100
5 HB2 HIS 1 HB2 HIS 1 2.595 -2.912 -5.386
6 HB3 HIS 1 HB1 HIS 1 2.981 -1.595 -4.288
7 HD1 HIS 1 HD1 HIS 1 4.171 -2.226 -2.176
8 HD2 HIS 1 HD2 HIS 1 2.408 -5.500 -4.027
9 HE1 HIS 1 HE1 HIS 1 4.827 -4.219 -0.781
10 HE2 HIS 1 HE2 HIS 1 3.648 -6.166 -1.862
11 H GLN 2 HN GLN 2 -0.942 -0.813 -3.408
12 HA GLN 2 HA GLN 2 -1.357 0.728 -5.717
13 HB2 GLN 2 HB2 GLN 2 -3.054 0.277 -3.965
14 HB3 GLN 2 HB1 GLN 2 -2.192 1.361 -2.886
15 HG2 GLN 2 HG2 GLN 2 -2.581 3.199 -4.497
16 HG3 GLN 2 HG1 GLN 2 -3.552 2.091 -5.468
17 HE21 GLN 2 HE21 GLN 2 -5.546 1.389 -4.674
18 HE22 GLN 2 HE22 GLN 2 -6.351 2.207 -3.378
19 H VAL 3 HN VAL 3 -0.683 2.349 -2.640
20 HA VAL 3 HA VAL 3 1.424 3.886 -3.992
21 HB VAL 3 HB VAL 3 0.673 5.874 -2.589
22 HG11 VAL 3 HG11 VAL 3 -1.164 4.834 -4.747
23 HG12 VAL 3 HG12 VAL 3 0.308 5.776 -4.988
24 HG13 VAL 3 HG13 VAL 3 -1.087 6.506 -4.192
25 HG21 VAL 3 HG21 VAL 3 -0.764 4.692 -1.019
26 HG22 VAL 3 HG22 VAL 3 -1.819 4.184 -2.337
27 HG23 VAL 3 HG23 VAL 3 -1.696 5.891 -1.916
28 HA PRO 4 HA PRO 4 2.878 2.115 0.039
29 HB2 PRO 4 HB2 PRO 4 4.933 0.726 -1.435
30 HB3 PRO 4 HB1 PRO 4 3.578 0.047 -0.535
31 HG2 PRO 4 HG2 PRO 4 3.758 -0.124 -3.232
32 HG3 PRO 4 HG1 PRO 4 2.206 -0.005 -2.372
33 HD2 PRO 4 HD2 PRO 4 3.796 2.196 -3.680
34 HD3 PRO 4 HD1 PRO 4 2.068 1.800 -3.870
35 H SER 5 HN SER 5 4.950 2.137 1.082
36 HA SER 5 HA SER 5 7.055 3.752 -0.142
37 HB2 SER 5 HB2 SER 5 5.550 5.151 1.410
38 HB3 SER 5 HB1 SER 5 6.183 4.171 2.729
39 HG SER 5 HG SER 5 7.270 6.258 2.185
40 H GLY 6 HN GLY 6 6.799 1.005 0.048
41 HA2 GLY 6 HA2 GLY 6 9.082 0.003 1.137
42 HA3 GLY 6 HA1 GLY 6 7.934 -0.038 2.470
43 HA PRO 7 HA PRO 7 7.443 -3.942 0.022
44 HB2 PRO 7 HB2 PRO 7 7.287 -5.287 2.595
45 HB3 PRO 7 HB1 PRO 7 8.457 -5.508 1.294
46 HG2 PRO 7 HG2 PRO 7 9.101 -4.386 3.680
47 HG3 PRO 7 HG1 PRO 7 9.913 -3.964 2.164
48 HD2 PRO 7 HD2 PRO 7 7.758 -2.489 3.629
49 HD3 PRO 7 HD1 PRO 7 9.207 -1.856 2.821
50 H ASN 8 HN ASN 8 5.367 -2.043 1.517
51 HA ASN 8 HA ASN 8 3.158 -3.739 0.804
52 HB2 ASN 8 HB2 ASN 8 2.016 -3.703 2.923
53 HB3 ASN 8 HB1 ASN 8 3.622 -4.374 3.167
54 HD21 ASN 8 HD21 ASN 8 1.770 -3.130 5.053
55 HD22 ASN 8 HD22 ASN 8 2.642 -1.823 5.778
56 HA PRO 9 HA PRO 9 1.569 0.135 -0.390
57 HB2 PRO 9 HB2 PRO 9 -1.179 -0.514 0.215
58 HB3 PRO 9 HB1 PRO 9 -0.382 -0.451 -1.353
59 HG2 PRO 9 HG2 PRO 9 -1.262 -2.760 -0.145
60 HG3 PRO 9 HG1 PRO 9 -0.005 -2.686 -1.386
61 HD2 PRO 9 HD2 PRO 9 0.250 -3.024 1.553
62 HD3 PRO 9 HD1 PRO 9 1.261 -3.671 0.246
63 H LEU 10 HN LEU 10 1.284 2.081 0.509
64 HA LEU 10 HA LEU 10 1.051 2.160 3.384
65 HB2 LEU 10 HB2 LEU 10 2.699 3.537 2.079
66 HB3 LEU 10 HB1 LEU 10 1.352 4.479 1.473
67 HG LEU 10 HG LEU 10 0.813 5.156 3.799
68 HD11 LEU 10 HD11 LEU 10 1.747 3.261 4.987
69 HD12 LEU 10 HD12 LEU 10 2.474 4.762 5.557
70 HD13 LEU 10 HD13 LEU 10 3.371 3.707 4.465
71 HD21 LEU 10 HD21 LEU 10 2.733 6.667 4.082
72 HD22 LEU 10 HD22 LEU 10 2.160 6.612 2.416
73 HD23 LEU 10 HD23 LEU 10 3.622 5.740 2.875
74 H HIS 11 HN HIS 11 -1.206 1.208 2.713
75 HA HIS 11 HA HIS 11 -3.236 3.154 3.306
76 HB2 HIS 11 HB2 HIS 11 -2.831 2.227 0.537
77 HB3 HIS 11 HB1 HIS 11 -4.477 2.066 1.140
78 HD1 HIS 11 HD1 HIS 11 -4.246 3.975 -1.090
79 HD2 HIS 11 HD2 HIS 11 -3.514 5.137 2.836
80 HE1 HIS 11 HE1 HIS 11 -4.548 6.469 -1.048
81 HE2 HIS 11 HE2 HIS 11 -3.974 7.163 1.301
82 H ASN 12 HN ASN 12 -4.693 2.237 4.512
83 HA ASN 12 HA ASN 12 -4.824 -0.550 4.989
84 HB2 ASN 12 HB2 ASN 12 -5.646 1.260 6.554
85 HB3 ASN 12 HB1 ASN 12 -7.006 1.502 5.464
86 HD21 ASN 12 HD21 ASN 12 -8.644 -0.016 5.392
87 HD22 ASN 12 HD22 ASN 12 -8.793 -1.280 6.564
88 H LYS 13 HN LYS 13 -5.923 1.540 2.568
89 HA LYS 13 HA LYS 13 -7.862 -0.389 1.503
90 HB2 LYS 13 HB2 LYS 13 -6.954 2.305 0.465
91 HB3 LYS 13 HB1 LYS 13 -8.141 1.284 -0.334
92 HG2 LYS 13 HG2 LYS 13 -9.574 1.445 1.675
93 HG3 LYS 13 HG1 LYS 13 -8.402 2.560 2.380
94 HD2 LYS 13 HD2 LYS 13 -8.739 4.075 0.467
95 HD3 LYS 13 HD1 LYS 13 -9.943 2.960 -0.180
96 HE2 LYS 13 HE2 LYS 13 -11.034 4.780 0.987
97 HE3 LYS 13 HE1 LYS 13 -11.290 3.261 1.845
98 HZ1 LYS 13 HZ1 LYS 13 -10.748 5.075 3.352
99 HZ2 LYS 13 HZ2 LYS 13 -9.273 5.319 2.564
100 HZ3 LYS 13 HZ3 LYS 13 -9.559 3.875 3.397
101 H LYS 14 HN LYS 14 -6.200 -2.030 1.314
102 HA LYS 14 HA LYS 14 -4.270 -1.573 -0.846
103 HB2 LYS 14 HB2 LYS 14 -3.221 -3.708 0.087
104 HB3 LYS 14 HB1 LYS 14 -3.113 -2.263 1.080
105 HG2 LYS 14 HG2 LYS 14 -5.013 -3.060 2.420
106 HG3 LYS 14 HG1 LYS 14 -5.072 -4.525 1.442
107 HD2 LYS 14 HD2 LYS 14 -3.896 -4.998 3.479
108 HD3 LYS 14 HD1 LYS 14 -2.747 -5.026 2.141
109 HE2 LYS 14 HE2 LYS 14 -1.988 -2.792 2.711
110 HE3 LYS 14 HE1 LYS 14 -3.188 -2.692 3.999
111 HZ1 LYS 14 HZ1 LYS 14 -1.013 -3.244 4.869
112 HZ2 LYS 14 HZ2 LYS 14 -0.926 -4.611 3.883
113 HZ3 LYS 14 HZ3 LYS 14 -2.080 -4.531 5.112
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 2.200 -2.234 -5.848
2 H2 HIS 1 HT2 HIS 1 0.850 -3.029 -6.467
3 H3 HIS 1 HT3 HIS 1 1.814 -3.788 -5.310
4 HA HIS 1 HA HIS 1 -0.223 -2.979 -4.308
5 HB2 HIS 1 HB2 HIS 1 1.927 -1.073 -3.428
6 HB3 HIS 1 HB1 HIS 1 0.704 -1.854 -2.449
7 HD1 HIS 1 HD1 HIS 1 1.402 -3.961 -1.243
8 HD2 HIS 1 HD2 HIS 1 4.129 -2.806 -4.160
9 HE1 HIS 1 HE1 HIS 1 3.515 -5.225 -0.732
10 HE2 HIS 1 HE2 HIS 1 5.033 -4.733 -2.692
11 H GLN 2 HN GLN 2 -0.999 -0.641 -3.319
12 HA GLN 2 HA GLN 2 -1.621 0.984 -5.591
13 HB2 GLN 2 HB2 GLN 2 -3.133 0.699 -3.610
14 HB3 GLN 2 HB1 GLN 2 -2.037 1.722 -2.694
15 HG2 GLN 2 HG2 GLN 2 -2.404 3.491 -4.446
16 HG3 GLN 2 HG1 GLN 2 -3.689 2.472 -5.088
17 HE21 GLN 2 HE21 GLN 2 -5.296 3.945 -4.660
18 HE22 GLN 2 HE22 GLN 2 -5.829 4.313 -3.057
19 H VAL 3 HN VAL 3 -0.553 2.603 -2.649
20 HA VAL 3 HA VAL 3 1.741 3.739 -4.088
21 HB VAL 3 HB VAL 3 1.173 5.975 -2.991
22 HG11 VAL 3 HG11 VAL 3 0.949 5.593 -5.385
23 HG12 VAL 3 HG12 VAL 3 -0.363 6.613 -4.793
24 HG13 VAL 3 HG13 VAL 3 -0.657 4.909 -5.140
25 HG21 VAL 3 HG21 VAL 3 -1.532 4.656 -2.738
26 HG22 VAL 3 HG22 VAL 3 -1.205 6.373 -2.509
27 HG23 VAL 3 HG23 VAL 3 -0.503 5.188 -1.408
28 HA PRO 4 HA PRO 4 2.858 2.377 0.181
29 HB2 PRO 4 HB2 PRO 4 4.909 0.752 -1.028
30 HB3 PRO 4 HB1 PRO 4 3.452 0.235 -0.174
31 HG2 PRO 4 HG2 PRO 4 3.781 -0.185 -2.818
32 HG3 PRO 4 HG1 PRO 4 2.196 0.153 -2.086
33 HD2 PRO 4 HD2 PRO 4 4.073 2.095 -3.426
34 HD3 PRO 4 HD1 PRO 4 2.344 1.801 -3.763
35 H SER 5 HN SER 5 4.913 2.214 1.318
36 HA SER 5 HA SER 5 7.186 3.614 0.091
37 HB2 SER 5 HB2 SER 5 6.220 5.089 1.793
38 HB3 SER 5 HB1 SER 5 6.243 3.783 2.973
39 HG SER 5 HG SER 5 8.626 3.786 2.488
40 H GLY 6 HN GLY 6 6.199 0.825 0.382
41 HA2 GLY 6 HA2 GLY 6 8.549 -0.573 0.871
42 HA3 GLY 6 HA1 GLY 6 7.611 -0.590 2.362
43 HA PRO 7 HA PRO 7 6.067 -4.093 -0.254
44 HB2 PRO 7 HB2 PRO 7 6.094 -5.671 2.175
45 HB3 PRO 7 HB1 PRO 7 7.025 -5.904 0.695
46 HG2 PRO 7 HG2 PRO 7 8.142 -5.157 3.063
47 HG3 PRO 7 HG1 PRO 7 8.820 -4.719 1.486
48 HD2 PRO 7 HD2 PRO 7 7.147 -3.080 3.355
49 HD3 PRO 7 HD1 PRO 7 8.568 -2.600 2.401
50 H ASN 8 HN ASN 8 4.479 -1.983 1.094
51 HA ASN 8 HA ASN 8 2.015 -3.350 0.861
52 HB2 ASN 8 HB2 ASN 8 1.137 -3.003 3.116
53 HB3 ASN 8 HB1 ASN 8 2.550 -4.054 3.142
54 HD21 ASN 8 HD21 ASN 8 1.298 -2.322 5.206
55 HD22 ASN 8 HD22 ASN 8 2.578 -1.312 5.783
56 HA PRO 9 HA PRO 9 1.149 0.701 -0.504
57 HB2 PRO 9 HB2 PRO 9 -1.554 0.607 -0.620
58 HB3 PRO 9 HB1 PRO 9 -0.515 -0.214 -1.785
59 HG2 PRO 9 HG2 PRO 9 -1.930 -1.331 0.603
60 HG3 PRO 9 HG1 PRO 9 -1.758 -2.021 -1.021
61 HD2 PRO 9 HD2 PRO 9 -0.235 -2.814 1.074
62 HD3 PRO 9 HD1 PRO 9 0.364 -2.808 -0.597
63 H LEU 10 HN LEU 10 1.126 2.557 0.516
64 HA LEU 10 HA LEU 10 0.876 2.697 3.272
65 HB2 LEU 10 HB2 LEU 10 0.844 4.882 1.203
66 HB3 LEU 10 HB1 LEU 10 0.836 5.209 2.924
67 HG LEU 10 HG LEU 10 3.015 3.792 1.395
68 HD11 LEU 10 HD11 LEU 10 4.345 5.763 1.987
69 HD12 LEU 10 HD12 LEU 10 2.916 6.501 2.705
70 HD13 LEU 10 HD13 LEU 10 2.964 6.175 0.973
71 HD21 LEU 10 HD21 LEU 10 4.251 3.917 3.542
72 HD22 LEU 10 HD22 LEU 10 2.859 2.838 3.596
73 HD23 LEU 10 HD23 LEU 10 2.762 4.440 4.328
74 H HIS 11 HN HIS 11 -0.956 2.209 4.278
75 HA HIS 11 HA HIS 11 -3.020 2.425 5.152
76 HB2 HIS 11 HB2 HIS 11 -2.938 5.158 3.861
77 HB3 HIS 11 HB1 HIS 11 -4.140 4.634 5.035
78 HD1 HIS 11 HD1 HIS 11 -3.301 4.297 7.509
79 HD2 HIS 11 HD2 HIS 11 -0.508 5.942 4.909
80 HE1 HIS 11 HE1 HIS 11 -1.496 5.250 8.973
81 HE2 HIS 11 HE2 HIS 11 0.257 6.096 7.372
82 H ASN 12 HN ASN 12 -2.703 1.285 2.494
83 HA ASN 12 HA ASN 12 -5.571 1.444 1.809
84 HB2 ASN 12 HB2 ASN 12 -4.057 2.127 -0.069
85 HB3 ASN 12 HB1 ASN 12 -3.327 0.530 -0.007
86 HD21 ASN 12 HD21 ASN 12 -4.330 -1.156 -1.011
87 HD22 ASN 12 HD22 ASN 12 -5.813 -1.008 -1.884
88 H LYS 13 HN LYS 13 -3.479 -0.106 3.581
89 HA LYS 13 HA LYS 13 -3.189 -2.174 4.457
90 HB2 LYS 13 HB2 LYS 13 -5.733 -2.975 3.037
91 HB3 LYS 13 HB1 LYS 13 -5.003 -3.756 4.434
92 HG2 LYS 13 HG2 LYS 13 -6.146 -0.972 4.395
93 HG3 LYS 13 HG1 LYS 13 -6.956 -2.403 5.030
94 HD2 LYS 13 HD2 LYS 13 -5.212 -2.658 6.708
95 HD3 LYS 13 HD1 LYS 13 -4.352 -1.271 6.035
96 HE2 LYS 13 HE2 LYS 13 -5.629 -0.649 8.027
97 HE3 LYS 13 HE1 LYS 13 -6.221 0.183 6.591
98 HZ1 LYS 13 HZ1 LYS 13 -8.022 -0.670 7.977
99 HZ2 LYS 13 HZ2 LYS 13 -7.443 -2.248 7.780
100 HZ3 LYS 13 HZ3 LYS 13 -8.028 -1.387 6.447
101 H LYS 14 HN LYS 14 -4.729 -2.989 1.363
102 HA LYS 14 HA LYS 14 -2.418 -3.753 -0.024
103 HB2 LYS 14 HB2 LYS 14 -2.314 -5.524 1.715
104 HB3 LYS 14 HB1 LYS 14 -3.929 -6.050 1.265
105 HG2 LYS 14 HG2 LYS 14 -3.134 -6.711 -0.925
106 HG3 LYS 14 HG1 LYS 14 -1.521 -6.107 -0.538
107 HD2 LYS 14 HD2 LYS 14 -1.340 -7.717 1.276
108 HD3 LYS 14 HD1 LYS 14 -2.958 -8.323 0.916
109 HE2 LYS 14 HE2 LYS 14 -2.211 -9.051 -1.279
110 HE3 LYS 14 HE1 LYS 14 -0.606 -8.390 -0.970
111 HZ1 LYS 14 HZ1 LYS 14 -1.900 -10.604 0.524
112 HZ2 LYS 14 HZ2 LYS 14 -0.381 -9.954 0.874
113 HZ3 LYS 14 HZ3 LYS 14 -0.639 -10.758 -0.590
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 -0.666 -3.331 -5.096
2 H2 HIS 1 HT2 HIS 1 0.669 -4.356 -4.992
3 H3 HIS 1 HT3 HIS 1 0.557 -3.239 -6.257
4 HA HIS 1 HA HIS 1 0.874 -2.615 -3.383
5 HB2 HIS 1 HB2 HIS 1 2.746 -2.546 -5.734
6 HB3 HIS 1 HB1 HIS 1 3.003 -1.486 -4.357
7 HD1 HIS 1 HD1 HIS 1 4.515 -2.406 -2.667
8 HD2 HIS 1 HD2 HIS 1 2.590 -5.416 -4.787
9 HE1 HIS 1 HE1 HIS 1 5.415 -4.557 -1.738
10 HE2 HIS 1 HE2 HIS 1 4.157 -6.369 -2.962
11 H GLN 2 HN GLN 2 -1.095 -1.337 -3.606
12 HA GLN 2 HA GLN 2 -0.902 1.013 -5.315
13 HB2 GLN 2 HB2 GLN 2 -3.076 -0.033 -3.505
14 HB3 GLN 2 HB1 GLN 2 -3.201 1.481 -4.398
15 HG2 GLN 2 HG2 GLN 2 -3.032 0.305 -6.497
16 HG3 GLN 2 HG1 GLN 2 -2.767 -1.219 -5.655
17 HE21 GLN 2 HE21 GLN 2 -4.834 -0.472 -7.558
18 HE22 GLN 2 HE22 GLN 2 -6.343 -0.735 -6.756
19 H VAL 3 HN VAL 3 0.070 2.752 -4.636
20 HA VAL 3 HA VAL 3 1.021 4.351 -3.329
21 HB VAL 3 HB VAL 3 -1.474 4.148 -1.650
22 HG11 VAL 3 HG11 VAL 3 0.228 5.707 -0.858
23 HG12 VAL 3 HG12 VAL 3 -1.197 6.567 -1.438
24 HG13 VAL 3 HG13 VAL 3 0.255 6.492 -2.437
25 HG21 VAL 3 HG21 VAL 3 -2.570 5.615 -3.267
26 HG22 VAL 3 HG22 VAL 3 -2.119 4.079 -4.006
27 HG23 VAL 3 HG23 VAL 3 -1.156 5.523 -4.317
28 HA PRO 4 HA PRO 4 2.240 1.377 0.111
29 HB2 PRO 4 HB2 PRO 4 4.799 1.368 -1.376
30 HB3 PRO 4 HB1 PRO 4 3.894 0.015 -0.683
31 HG2 PRO 4 HG2 PRO 4 3.897 0.311 -3.289
32 HG3 PRO 4 HG1 PRO 4 2.360 -0.013 -2.439
33 HD2 PRO 4 HD2 PRO 4 3.467 2.666 -3.297
34 HD3 PRO 4 HD1 PRO 4 1.895 1.938 -3.721
35 H SER 5 HN SER 5 3.611 1.759 1.804
36 HA SER 5 HA SER 5 5.295 4.169 1.698
37 HB2 SER 5 HB2 SER 5 4.165 2.844 4.181
38 HB3 SER 5 HB1 SER 5 4.980 4.405 4.080
39 HG SER 5 HG SER 5 2.389 3.898 3.840
40 H GLY 6 HN GLY 6 5.665 1.336 0.890
41 HA2 GLY 6 HA2 GLY 6 8.278 0.806 1.549
42 HA3 GLY 6 HA1 GLY 6 7.310 -0.023 2.766
43 HA PRO 7 HA PRO 7 7.413 -2.897 -0.833
44 HB2 PRO 7 HB2 PRO 7 7.976 -5.142 0.515
45 HB3 PRO 7 HB1 PRO 7 9.235 -3.971 0.106
46 HG2 PRO 7 HG2 PRO 7 7.820 -4.403 2.703
47 HG3 PRO 7 HG1 PRO 7 9.533 -4.063 2.403
48 HD2 PRO 7 HD2 PRO 7 7.676 -2.177 3.178
49 HD3 PRO 7 HD1 PRO 7 9.187 -1.807 2.326
50 H ASN 8 HN ASN 8 5.059 -1.912 0.313
51 HA ASN 8 HA ASN 8 3.200 -3.982 -0.142
52 HB2 ASN 8 HB2 ASN 8 3.988 -4.781 2.049
53 HB3 ASN 8 HB1 ASN 8 3.642 -3.211 2.764
54 HD21 ASN 8 HD21 ASN 8 2.327 -6.195 1.617
55 HD22 ASN 8 HD22 ASN 8 0.728 -5.960 2.232
56 HA PRO 9 HA PRO 9 0.825 -0.248 -0.763
57 HB2 PRO 9 HB2 PRO 9 -1.716 -1.278 -0.369
58 HB3 PRO 9 HB1 PRO 9 -0.826 -1.332 -1.892
59 HG2 PRO 9 HG2 PRO 9 -1.222 -3.449 0.152
60 HG3 PRO 9 HG1 PRO 9 -1.070 -3.596 -1.603
61 HD2 PRO 9 HD2 PRO 9 0.924 -4.227 0.133
62 HD3 PRO 9 HD1 PRO 9 1.221 -3.655 -1.521
63 H LEU 10 HN LEU 10 1.782 0.441 1.294
64 HA LEU 10 HA LEU 10 0.183 0.054 3.694
65 HB2 LEU 10 HB2 LEU 10 2.901 1.270 3.258
66 HB3 LEU 10 HB1 LEU 10 2.121 1.168 4.822
67 HG LEU 10 HG LEU 10 2.771 -1.242 3.129
68 HD11 LEU 10 HD11 LEU 10 4.829 -0.087 3.733
69 HD12 LEU 10 HD12 LEU 10 4.663 -1.590 4.640
70 HD13 LEU 10 HD13 LEU 10 4.322 -0.046 5.421
71 HD21 LEU 10 HD21 LEU 10 2.009 -0.940 6.033
72 HD22 LEU 10 HD22 LEU 10 2.440 -2.451 5.234
73 HD23 LEU 10 HD23 LEU 10 0.984 -1.585 4.750
74 H HIS 11 HN HIS 11 -1.043 1.739 1.803
75 HA HIS 11 HA HIS 11 -1.675 3.851 3.601
76 HB2 HIS 11 HB2 HIS 11 0.281 4.877 2.454
77 HB3 HIS 11 HB1 HIS 11 -0.552 4.684 0.915
78 HD1 HIS 11 HD1 HIS 11 -0.508 6.775 4.007
79 HD2 HIS 11 HD2 HIS 11 -2.646 6.509 0.454
80 HE1 HIS 11 HE1 HIS 11 -1.859 8.889 3.872
81 HE2 HIS 11 HE2 HIS 11 -3.259 8.634 1.793
82 H ASN 12 HN ASN 12 -2.080 2.294 0.522
83 HA ASN 12 HA ASN 12 -4.760 3.243 0.161
84 HB2 ASN 12 HB2 ASN 12 -3.315 2.389 -1.697
85 HB3 ASN 12 HB1 ASN 12 -3.432 0.780 -1.001
86 HD21 ASN 12 HD21 ASN 12 -5.103 3.295 -2.713
87 HD22 ASN 12 HD22 ASN 12 -6.451 2.335 -3.210
88 H LYS 13 HN LYS 13 -3.474 1.587 2.565
89 HA LYS 13 HA LYS 13 -4.108 0.051 4.106
90 HB2 LYS 13 HB2 LYS 13 -6.840 0.818 3.074
91 HB3 LYS 13 HB1 LYS 13 -6.571 -0.163 4.507
92 HG2 LYS 13 HG2 LYS 13 -5.416 1.667 5.585
93 HG3 LYS 13 HG1 LYS 13 -5.569 2.651 4.129
94 HD2 LYS 13 HD2 LYS 13 -7.987 2.634 4.350
95 HD3 LYS 13 HD1 LYS 13 -7.866 1.572 5.753
96 HE2 LYS 13 HE2 LYS 13 -6.684 3.292 6.985
97 HE3 LYS 13 HE1 LYS 13 -6.712 4.350 5.577
98 HZ1 LYS 13 HZ1 LYS 13 -9.098 4.451 5.708
99 HZ2 LYS 13 HZ2 LYS 13 -8.442 4.898 7.199
100 HZ3 LYS 13 HZ3 LYS 13 -9.123 3.363 7.002
101 H LYS 14 HN LYS 14 -3.268 -0.982 1.695
102 HA LYS 14 HA LYS 14 -3.457 -2.673 0.157
103 HB2 LYS 14 HB2 LYS 14 -3.241 -4.893 1.293
104 HB3 LYS 14 HB1 LYS 14 -2.113 -3.667 1.834
105 HG2 LYS 14 HG2 LYS 14 -4.637 -4.190 3.352
106 HG3 LYS 14 HG1 LYS 14 -3.230 -5.228 3.558
107 HD2 LYS 14 HD2 LYS 14 -3.261 -2.235 3.955
108 HD3 LYS 14 HD1 LYS 14 -3.373 -3.431 5.245
109 HE2 LYS 14 HE2 LYS 14 -1.060 -3.068 3.345
110 HE3 LYS 14 HE1 LYS 14 -1.101 -2.583 5.036
111 HZ1 LYS 14 HZ1 LYS 14 -1.326 -5.375 4.054
112 HZ2 LYS 14 HZ2 LYS 14 -1.316 -4.890 5.673
113 HZ3 LYS 14 HZ3 LYS 14 0.063 -4.680 4.719
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 -0.796 -3.410 -4.941
2 H2 HIS 1 HT2 HIS 1 0.540 -4.436 -4.847
3 H3 HIS 1 HT3 HIS 1 0.505 -3.196 -5.998
4 HA HIS 1 HA HIS 1 0.588 -2.844 -3.066
5 HB2 HIS 1 HB2 HIS 1 2.672 -2.735 -5.206
6 HB3 HIS 1 HB1 HIS 1 2.813 -1.649 -3.832
7 HD1 HIS 1 HD1 HIS 1 3.936 -2.573 -1.821
8 HD2 HIS 1 HD2 HIS 1 2.657 -5.571 -4.392
9 HE1 HIS 1 HE1 HIS 1 4.778 -4.714 -0.815
10 HE2 HIS 1 HE2 HIS 1 4.159 -6.492 -2.501
11 H GLN 2 HN GLN 2 -1.076 -1.358 -2.935
12 HA GLN 2 HA GLN 2 -1.124 0.912 -4.716
13 HB2 GLN 2 HB2 GLN 2 -2.876 -0.019 -2.470
14 HB3 GLN 2 HB1 GLN 2 -3.050 1.601 -3.133
15 HG2 GLN 2 HG2 GLN 2 -3.291 -0.971 -4.678
16 HG3 GLN 2 HG1 GLN 2 -4.628 0.046 -4.140
17 HE21 GLN 2 HE21 GLN 2 -2.019 -0.302 -6.401
18 HE22 GLN 2 HE22 GLN 2 -2.471 1.006 -7.443
19 H VAL 3 HN VAL 3 0.101 2.581 -4.455
20 HA VAL 3 HA VAL 3 1.362 4.249 -3.558
21 HB VAL 3 HB VAL 3 -0.831 4.467 -1.505
22 HG11 VAL 3 HG11 VAL 3 0.844 6.531 -2.931
23 HG12 VAL 3 HG12 VAL 3 1.020 6.027 -1.252
24 HG13 VAL 3 HG13 VAL 3 -0.436 6.875 -1.770
25 HG21 VAL 3 HG21 VAL 3 -0.916 5.353 -4.388
26 HG22 VAL 3 HG22 VAL 3 -2.114 5.750 -3.157
27 HG23 VAL 3 HG23 VAL 3 -1.889 4.075 -3.660
28 HA PRO 4 HA PRO 4 2.888 1.913 0.201
29 HB2 PRO 4 HB2 PRO 4 4.951 0.623 -1.323
30 HB3 PRO 4 HB1 PRO 4 3.549 -0.116 -0.543
31 HG2 PRO 4 HG2 PRO 4 3.880 -0.026 -3.251
32 HG3 PRO 4 HG1 PRO 4 2.294 -0.063 -2.452
33 HD2 PRO 4 HD2 PRO 4 3.824 2.318 -3.484
34 HD3 PRO 4 HD1 PRO 4 2.116 1.880 -3.752
35 H SER 5 HN SER 5 4.666 2.410 1.445
36 HA SER 5 HA SER 5 6.697 4.151 0.234
37 HB2 SER 5 HB2 SER 5 6.051 3.708 3.162
38 HB3 SER 5 HB1 SER 5 7.216 4.866 2.522
39 HG SER 5 HG SER 5 4.832 5.226 1.331
40 H GLY 6 HN GLY 6 6.352 1.152 0.263
41 HA2 GLY 6 HA2 GLY 6 8.997 0.340 0.315
42 HA3 GLY 6 HA1 GLY 6 8.340 0.001 1.911
43 HA PRO 7 HA PRO 7 7.285 -3.645 -0.649
44 HB2 PRO 7 HB2 PRO 7 7.831 -5.529 1.173
45 HB3 PRO 7 HB1 PRO 7 9.115 -4.712 0.274
46 HG2 PRO 7 HG2 PRO 7 8.157 -4.236 3.065
47 HG3 PRO 7 HG1 PRO 7 9.816 -4.261 2.442
48 HD2 PRO 7 HD2 PRO 7 8.362 -1.968 2.915
49 HD3 PRO 7 HD1 PRO 7 9.720 -2.077 1.779
50 H ASN 8 HN ASN 8 5.370 -1.978 0.913
51 HA ASN 8 HA ASN 8 3.277 -3.929 1.043
52 HB2 ASN 8 HB2 ASN 8 4.297 -4.261 3.239
53 HB3 ASN 8 HB1 ASN 8 4.154 -2.540 3.587
54 HD21 ASN 8 HD21 ASN 8 2.467 -5.556 3.265
55 HD22 ASN 8 HD22 ASN 8 0.991 -5.041 4.006
56 HA PRO 9 HA PRO 9 1.225 -0.291 -0.390
57 HB2 PRO 9 HB2 PRO 9 -1.311 -1.388 0.581
58 HB3 PRO 9 HB1 PRO 9 -0.793 -1.065 -1.072
59 HG2 PRO 9 HG2 PRO 9 -1.066 -3.572 -0.067
60 HG3 PRO 9 HG1 PRO 9 0.079 -3.158 -1.347
61 HD2 PRO 9 HD2 PRO 9 0.567 -3.675 1.536
62 HD3 PRO 9 HD1 PRO 9 1.593 -4.021 0.132
63 H LEU 10 HN LEU 10 1.195 1.597 0.617
64 HA LEU 10 HA LEU 10 0.896 1.678 3.475
65 HB2 LEU 10 HB2 LEU 10 2.573 3.076 2.354
66 HB3 LEU 10 HB1 LEU 10 1.302 3.922 1.495
67 HG LEU 10 HG LEU 10 0.423 4.682 3.730
68 HD11 LEU 10 HD11 LEU 10 1.957 4.604 5.630
69 HD12 LEU 10 HD12 LEU 10 3.070 3.609 4.690
70 HD13 LEU 10 HD13 LEU 10 1.478 2.986 5.119
71 HD21 LEU 10 HD21 LEU 10 1.717 6.156 2.300
72 HD22 LEU 10 HD22 LEU 10 3.217 5.517 2.971
73 HD23 LEU 10 HD23 LEU 10 2.113 6.432 3.996
74 H HIS 11 HN HIS 11 -1.165 1.341 4.116
75 HA HIS 11 HA HIS 11 -3.363 1.719 4.522
76 HB2 HIS 11 HB2 HIS 11 -2.623 4.433 3.422
77 HB3 HIS 11 HB1 HIS 11 -4.237 4.064 4.015
78 HD1 HIS 11 HD1 HIS 11 -4.602 4.645 6.380
79 HD2 HIS 11 HD2 HIS 11 -0.592 3.882 5.588
80 HE1 HIS 11 HE1 HIS 11 -3.390 5.079 8.540
81 HE2 HIS 11 HE2 HIS 11 -1.000 4.445 8.080
82 H ASN 12 HN ASN 12 -5.183 3.327 2.915
83 HA ASN 12 HA ASN 12 -6.546 3.186 1.112
84 HB2 ASN 12 HB2 ASN 12 -4.426 3.416 -0.223
85 HB3 ASN 12 HB1 ASN 12 -4.329 1.663 -0.284
86 HD21 ASN 12 HD21 ASN 12 -5.684 0.529 -1.668
87 HD22 ASN 12 HD22 ASN 12 -6.682 1.317 -2.843
88 H LYS 13 HN LYS 13 -5.656 0.769 3.028
89 HA LYS 13 HA LYS 13 -6.329 -1.353 3.481
90 HB2 LYS 13 HB2 LYS 13 -8.573 -0.223 3.292
91 HB3 LYS 13 HB1 LYS 13 -8.640 -0.754 1.619
92 HG2 LYS 13 HG2 LYS 13 -8.533 -3.095 2.388
93 HG3 LYS 13 HG1 LYS 13 -8.560 -2.518 4.056
94 HD2 LYS 13 HD2 LYS 13 -10.727 -1.492 3.690
95 HD3 LYS 13 HD1 LYS 13 -10.704 -2.005 2.001
96 HE2 LYS 13 HE2 LYS 13 -10.687 -4.338 2.703
97 HE3 LYS 13 HE1 LYS 13 -10.656 -3.839 4.392
98 HZ1 LYS 13 HZ1 LYS 13 -12.846 -3.270 2.471
99 HZ2 LYS 13 HZ2 LYS 13 -12.819 -2.815 4.097
100 HZ3 LYS 13 HZ3 LYS 13 -12.885 -4.452 3.679
101 H LYS 14 HN LYS 14 -4.421 -1.026 1.564
102 HA LYS 14 HA LYS 14 -3.435 -1.740 -0.345
103 HB2 LYS 14 HB2 LYS 14 -3.271 -4.220 -0.500
104 HB3 LYS 14 HB1 LYS 14 -2.912 -3.576 1.091
105 HG2 LYS 14 HG2 LYS 14 -5.101 -4.273 1.885
106 HG3 LYS 14 HG1 LYS 14 -5.512 -4.866 0.277
107 HD2 LYS 14 HD2 LYS 14 -4.847 -6.722 1.656
108 HD3 LYS 14 HD1 LYS 14 -3.619 -6.450 0.419
109 HE2 LYS 14 HE2 LYS 14 -2.269 -5.212 2.072
110 HE3 LYS 14 HE1 LYS 14 -3.483 -5.565 3.300
111 HZ1 LYS 14 HZ1 LYS 14 -1.929 -7.605 1.803
112 HZ2 LYS 14 HZ2 LYS 14 -3.037 -7.907 3.044
113 HZ3 LYS 14 HZ3 LYS 14 -1.594 -7.094 3.380
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 -1.503 -3.010 -4.282
2 H2 HIS 1 HT2 HIS 1 -0.334 -4.224 -4.172
3 H3 HIS 1 HT3 HIS 1 -0.413 -3.251 -5.551
4 HA HIS 1 HA HIS 1 0.248 -2.300 -2.827
5 HB2 HIS 1 HB2 HIS 1 1.949 -3.079 -5.175
6 HB3 HIS 1 HB1 HIS 1 2.498 -1.809 -4.088
7 HD1 HIS 1 HD1 HIS 1 4.117 -2.741 -2.477
8 HD2 HIS 1 HD2 HIS 1 1.099 -5.461 -3.354
9 HE1 HIS 1 HE1 HIS 1 4.535 -4.720 -0.976
10 HE2 HIS 1 HE2 HIS 1 2.860 -6.447 -1.740
11 H GLN 2 HN GLN 2 -1.290 -0.677 -3.042
12 HA GLN 2 HA GLN 2 -1.659 0.950 -5.290
13 HB2 GLN 2 HB2 GLN 2 -3.317 0.603 -3.502
14 HB3 GLN 2 HB1 GLN 2 -2.308 1.521 -2.396
15 HG2 GLN 2 HG2 GLN 2 -4.122 2.889 -3.203
16 HG3 GLN 2 HG1 GLN 2 -2.588 3.504 -3.817
17 HE21 GLN 2 HE21 GLN 2 -5.534 1.838 -4.615
18 HE22 GLN 2 HE22 GLN 2 -5.412 2.027 -6.331
19 H VAL 3 HN VAL 3 -0.636 2.327 -2.184
20 HA VAL 3 HA VAL 3 1.388 3.901 -3.610
21 HB VAL 3 HB VAL 3 0.674 5.838 -2.053
22 HG11 VAL 3 HG11 VAL 3 -1.086 4.973 -4.348
23 HG12 VAL 3 HG12 VAL 3 0.411 5.895 -4.472
24 HG13 VAL 3 HG13 VAL 3 -0.998 6.605 -3.686
25 HG21 VAL 3 HG21 VAL 3 -1.840 4.164 -2.028
26 HG22 VAL 3 HG22 VAL 3 -1.725 5.836 -1.482
27 HG23 VAL 3 HG23 VAL 3 -0.841 4.568 -0.632
28 HA PRO 4 HA PRO 4 3.029 2.220 0.390
29 HB2 PRO 4 HB2 PRO 4 4.879 0.569 -1.028
30 HB3 PRO 4 HB1 PRO 4 3.465 0.060 -0.105
31 HG2 PRO 4 HG2 PRO 4 3.710 -0.205 -2.831
32 HG3 PRO 4 HG1 PRO 4 2.164 -0.123 -1.971
33 HD2 PRO 4 HD2 PRO 4 3.649 2.056 -3.402
34 HD3 PRO 4 HD1 PRO 4 1.910 1.671 -3.427
35 H SER 5 HN SER 5 4.955 2.661 1.416
36 HA SER 5 HA SER 5 7.073 3.958 -0.165
37 HB2 SER 5 HB2 SER 5 5.995 5.363 1.638
38 HB3 SER 5 HB1 SER 5 6.574 4.195 2.822
39 HG SER 5 HG SER 5 8.156 5.796 1.084
40 H GLY 6 HN GLY 6 6.307 1.127 0.491
41 HA2 GLY 6 HA2 GLY 6 8.902 0.037 0.923
42 HA3 GLY 6 HA1 GLY 6 7.881 -0.139 2.344
43 HA PRO 7 HA PRO 7 7.010 -3.698 -0.517
44 HB2 PRO 7 HB2 PRO 7 7.350 -5.678 1.263
45 HB3 PRO 7 HB1 PRO 7 8.719 -4.921 0.439
46 HG2 PRO 7 HG2 PRO 7 7.644 -4.396 3.191
47 HG3 PRO 7 HG1 PRO 7 9.328 -4.615 2.677
48 HD2 PRO 7 HD2 PRO 7 8.224 -2.168 3.085
49 HD3 PRO 7 HD1 PRO 7 9.497 -2.458 1.886
50 H ASN 8 HN ASN 8 5.078 -2.001 0.951
51 HA ASN 8 HA ASN 8 2.862 -3.767 0.840
52 HB2 ASN 8 HB2 ASN 8 3.611 -4.530 2.996
53 HB3 ASN 8 HB1 ASN 8 3.788 -2.878 3.581
54 HD21 ASN 8 HD21 ASN 8 1.997 -1.767 4.280
55 HD22 ASN 8 HD22 ASN 8 0.449 -2.505 4.487
56 HA PRO 9 HA PRO 9 1.121 0.127 -0.288
57 HB2 PRO 9 HB2 PRO 9 -1.520 -0.520 0.346
58 HB3 PRO 9 HB1 PRO 9 -0.732 -0.791 -1.210
59 HG2 PRO 9 HG2 PRO 9 -1.225 -2.688 1.030
60 HG3 PRO 9 HG1 PRO 9 -1.212 -2.987 -0.716
61 HD2 PRO 9 HD2 PRO 9 0.820 -3.742 0.878
62 HD3 PRO 9 HD1 PRO 9 1.091 -3.195 -0.789
63 H LEU 10 HN LEU 10 1.581 1.737 1.040
64 HA LEU 10 HA LEU 10 0.909 1.704 3.819
65 HB2 LEU 10 HB2 LEU 10 2.957 2.785 2.995
66 HB3 LEU 10 HB1 LEU 10 1.993 3.932 2.089
67 HG LEU 10 HG LEU 10 1.082 4.816 4.212
68 HD11 LEU 10 HD11 LEU 10 2.156 4.184 6.324
69 HD12 LEU 10 HD12 LEU 10 3.056 2.924 5.481
70 HD13 LEU 10 HD13 LEU 10 1.299 2.830 5.590
71 HD21 LEU 10 HD21 LEU 10 3.123 5.956 4.928
72 HD22 LEU 10 HD22 LEU 10 3.015 5.873 3.169
73 HD23 LEU 10 HD23 LEU 10 4.092 4.780 4.039
74 H HIS 11 HN HIS 11 -1.222 1.786 4.219
75 HA HIS 11 HA HIS 11 -3.321 2.586 4.449
76 HB2 HIS 11 HB2 HIS 11 -2.235 5.066 3.102
77 HB3 HIS 11 HB1 HIS 11 -3.866 4.925 3.750
78 HD1 HIS 11 HD1 HIS 11 -0.753 6.279 4.654
79 HD2 HIS 11 HD2 HIS 11 -3.594 4.028 6.683
80 HE1 HIS 11 HE1 HIS 11 -0.299 6.664 7.097
81 HE2 HIS 11 HE2 HIS 11 -2.036 5.303 8.308
82 H ASN 12 HN ASN 12 -5.275 3.046 3.222
83 HA ASN 12 HA ASN 12 -6.730 2.584 1.551
84 HB2 ASN 12 HB2 ASN 12 -5.166 4.019 0.147
85 HB3 ASN 12 HB1 ASN 12 -4.423 2.523 -0.402
86 HD21 ASN 12 HD21 ASN 12 -7.851 2.960 0.245
87 HD22 ASN 12 HD22 ASN 12 -8.369 2.763 -1.392
88 H LYS 13 HN LYS 13 -4.200 0.678 2.474
89 HA LYS 13 HA LYS 13 -3.963 -1.548 2.783
90 HB2 LYS 13 HB2 LYS 13 -6.829 -1.773 1.860
91 HB3 LYS 13 HB1 LYS 13 -5.936 -2.932 2.831
92 HG2 LYS 13 HG2 LYS 13 -6.725 -0.154 3.674
93 HG3 LYS 13 HG1 LYS 13 -7.480 -1.658 4.195
94 HD2 LYS 13 HD2 LYS 13 -5.351 -2.347 5.211
95 HD3 LYS 13 HD1 LYS 13 -4.636 -0.815 4.708
96 HE2 LYS 13 HE2 LYS 13 -5.297 -0.694 7.035
97 HE3 LYS 13 HE1 LYS 13 -6.292 0.387 6.060
98 HZ1 LYS 13 HZ1 LYS 13 -8.038 -1.305 6.068
99 HZ2 LYS 13 HZ2 LYS 13 -7.642 -0.813 7.636
100 HZ3 LYS 13 HZ3 LYS 13 -7.082 -2.295 7.052
101 H LYS 14 HN LYS 14 -4.981 -3.765 1.445
102 HA LYS 14 HA LYS 14 -3.846 -3.370 -1.227
103 HB2 LYS 14 HB2 LYS 14 -3.167 -5.743 -1.194
104 HB3 LYS 14 HB1 LYS 14 -2.393 -4.805 0.068
105 HG2 LYS 14 HG2 LYS 14 -4.852 -6.405 0.653
106 HG3 LYS 14 HG1 LYS 14 -3.265 -7.168 0.596
107 HD2 LYS 14 HD2 LYS 14 -2.466 -5.586 2.296
108 HD3 LYS 14 HD1 LYS 14 -4.080 -4.880 2.383
109 HE2 LYS 14 HE2 LYS 14 -4.981 -7.046 3.091
110 HE3 LYS 14 HE1 LYS 14 -3.365 -7.742 3.009
111 HZ1 LYS 14 HZ1 LYS 14 -3.937 -7.157 5.268
112 HZ2 LYS 14 HZ2 LYS 14 -4.224 -5.553 4.818
113 HZ3 LYS 14 HZ3 LYS 14 -2.660 -6.186 4.730
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 -1.131 -2.762 -4.859
2 H2 HIS 1 HT2 HIS 1 0.117 -3.894 -4.810
3 H3 HIS 1 HT3 HIS 1 0.146 -2.654 -5.958
4 HA HIS 1 HA HIS 1 0.343 -2.302 -3.025
5 HB2 HIS 1 HB2 HIS 1 2.383 -2.310 -5.235
6 HB3 HIS 1 HB1 HIS 1 2.648 -1.332 -3.801
7 HD1 HIS 1 HD1 HIS 1 4.085 -2.466 -2.171
8 HD2 HIS 1 HD2 HIS 1 1.797 -5.186 -4.327
9 HE1 HIS 1 HE1 HIS 1 4.701 -4.726 -1.263
10 HE2 HIS 1 HE2 HIS 1 3.453 -6.362 -2.723
11 H GLN 2 HN GLN 2 -1.409 -0.775 -3.175
12 HA GLN 2 HA GLN 2 -1.141 1.500 -4.910
13 HB2 GLN 2 HB2 GLN 2 -3.049 0.932 -2.643
14 HB3 GLN 2 HB1 GLN 2 -3.133 2.357 -3.672
15 HG2 GLN 2 HG2 GLN 2 -3.366 0.819 -5.629
16 HG3 GLN 2 HG1 GLN 2 -3.514 -0.510 -4.482
17 HE21 GLN 2 HE21 GLN 2 -5.006 2.344 -5.769
18 HE22 GLN 2 HE22 GLN 2 -6.583 2.064 -5.112
19 H VAL 3 HN VAL 3 0.127 3.112 -4.590
20 HA VAL 3 HA VAL 3 1.581 4.587 -3.625
21 HB VAL 3 HB VAL 3 -0.667 5.153 -1.711
22 HG11 VAL 3 HG11 VAL 3 1.369 6.467 -1.443
23 HG12 VAL 3 HG12 VAL 3 0.047 7.474 -2.032
24 HG13 VAL 3 HG13 VAL 3 1.305 6.933 -3.143
25 HG21 VAL 3 HG21 VAL 3 -1.676 4.800 -3.901
26 HG22 VAL 3 HG22 VAL 3 -0.524 5.923 -4.624
27 HG23 VAL 3 HG23 VAL 3 -1.715 6.508 -3.463
28 HA PRO 4 HA PRO 4 2.818 2.465 0.266
29 HB2 PRO 4 HB2 PRO 4 4.758 0.830 -0.962
30 HB3 PRO 4 HB1 PRO 4 3.179 0.318 -0.363
31 HG2 PRO 4 HG2 PRO 4 3.972 0.315 -3.037
32 HG3 PRO 4 HG1 PRO 4 2.301 0.231 -2.452
33 HD2 PRO 4 HD2 PRO 4 3.853 2.613 -3.411
34 HD3 PRO 4 HD1 PRO 4 2.154 2.173 -3.717
35 H SER 5 HN SER 5 4.993 2.419 1.254
36 HA SER 5 HA SER 5 7.007 4.013 -0.171
37 HB2 SER 5 HB2 SER 5 5.813 5.342 1.629
38 HB3 SER 5 HB1 SER 5 6.466 4.204 2.807
39 HG SER 5 HG SER 5 8.275 5.244 2.733
40 H GLY 6 HN GLY 6 6.572 1.200 0.029
41 HA2 GLY 6 HA2 GLY 6 8.931 0.007 0.363
42 HA3 GLY 6 HA1 GLY 6 8.381 0.149 2.029
43 HA PRO 7 HA PRO 7 6.796 -3.905 0.410
44 HB2 PRO 7 HB2 PRO 7 6.842 -5.079 2.895
45 HB3 PRO 7 HB1 PRO 7 8.198 -5.097 1.764
46 HG2 PRO 7 HG2 PRO 7 7.719 -3.312 4.115
47 HG3 PRO 7 HG1 PRO 7 9.223 -4.084 3.581
48 HD2 PRO 7 HD2 PRO 7 8.722 -1.492 3.093
49 HD3 PRO 7 HD1 PRO 7 9.593 -2.507 1.925
50 H ASN 8 HN ASN 8 4.754 -3.571 -0.010
51 HA ASN 8 HA ASN 8 2.563 -4.166 0.300
52 HB2 ASN 8 HB2 ASN 8 3.031 -5.333 2.381
53 HB3 ASN 8 HB1 ASN 8 3.134 -3.809 3.253
54 HD21 ASN 8 HD21 ASN 8 1.023 -6.136 1.781
55 HD22 ASN 8 HD22 ASN 8 -0.446 -5.531 2.464
56 HA PRO 9 HA PRO 9 1.116 -0.114 -0.512
57 HB2 PRO 9 HB2 PRO 9 -1.540 -0.614 0.342
58 HB3 PRO 9 HB1 PRO 9 -0.919 -0.708 -1.308
59 HG2 PRO 9 HG2 PRO 9 -1.367 -2.870 0.674
60 HG3 PRO 9 HG1 PRO 9 -1.470 -2.926 -1.093
61 HD2 PRO 9 HD2 PRO 9 0.590 -4.023 0.218
62 HD3 PRO 9 HD1 PRO 9 0.831 -3.196 -1.336
63 H LEU 10 HN LEU 10 1.372 1.625 0.739
64 HA LEU 10 HA LEU 10 1.731 1.140 3.500
65 HB2 LEU 10 HB2 LEU 10 3.180 2.673 2.235
66 HB3 LEU 10 HB1 LEU 10 1.823 3.762 2.012
67 HG LEU 10 HG LEU 10 1.731 4.033 4.505
68 HD11 LEU 10 HD11 LEU 10 2.869 1.986 5.141
69 HD12 LEU 10 HD12 LEU 10 3.707 3.394 5.796
70 HD13 LEU 10 HD13 LEU 10 4.356 2.559 4.385
71 HD21 LEU 10 HD21 LEU 10 2.780 5.704 3.085
72 HD22 LEU 10 HD22 LEU 10 4.300 4.813 3.136
73 HD23 LEU 10 HD23 LEU 10 3.656 5.542 4.607
74 H HIS 11 HN HIS 11 -0.828 2.103 1.641
75 HA HIS 11 HA HIS 11 -2.645 2.271 3.798
76 HB2 HIS 11 HB2 HIS 11 -3.441 4.619 3.351
77 HB3 HIS 11 HB1 HIS 11 -1.880 4.509 4.149
78 HD1 HIS 11 HD1 HIS 11 -0.099 5.905 3.179
79 HD2 HIS 11 HD2 HIS 11 -3.129 5.155 0.438
80 HE1 HIS 11 HE1 HIS 11 0.478 7.267 1.146
81 HE2 HIS 11 HE2 HIS 11 -1.481 6.961 -0.404
82 H ASN 12 HN ASN 12 -4.830 3.292 2.828
83 HA ASN 12 HA ASN 12 -6.586 2.891 1.464
84 HB2 ASN 12 HB2 ASN 12 -4.971 3.964 -0.257
85 HB3 ASN 12 HB1 ASN 12 -4.721 2.321 -0.835
86 HD21 ASN 12 HD21 ASN 12 -6.347 1.304 -1.977
87 HD22 ASN 12 HD22 ASN 12 -7.765 2.126 -2.521
88 H LYS 13 HN LYS 13 -5.001 0.836 2.878
89 HA LYS 13 HA LYS 13 -5.164 -1.366 3.351
90 HB2 LYS 13 HB2 LYS 13 -7.520 -1.228 1.469
91 HB3 LYS 13 HB1 LYS 13 -7.160 -2.586 2.524
92 HG2 LYS 13 HG2 LYS 13 -7.371 -1.067 4.469
93 HG3 LYS 13 HG1 LYS 13 -7.867 0.217 3.364
94 HD2 LYS 13 HD2 LYS 13 -9.758 -1.176 2.638
95 HD3 LYS 13 HD1 LYS 13 -9.264 -2.419 3.788
96 HE2 LYS 13 HE2 LYS 13 -9.538 -0.748 5.611
97 HE3 LYS 13 HE1 LYS 13 -10.181 0.380 4.421
98 HZ1 LYS 13 HZ1 LYS 13 -11.940 -1.251 3.943
99 HZ2 LYS 13 HZ2 LYS 13 -11.974 -0.715 5.546
100 HZ3 LYS 13 HZ3 LYS 13 -11.348 -2.243 5.180
101 H LYS 14 HN LYS 14 -5.746 -3.617 1.925
102 HA LYS 14 HA LYS 14 -4.068 -3.473 -0.476
103 HB2 LYS 14 HB2 LYS 14 -3.181 -5.781 0.208
104 HB3 LYS 14 HB1 LYS 14 -2.538 -4.383 1.048
105 HG2 LYS 14 HG2 LYS 14 -2.873 -5.958 2.722
106 HG3 LYS 14 HG1 LYS 14 -4.267 -4.889 2.857
107 HD2 LYS 14 HD2 LYS 14 -5.609 -6.506 1.591
108 HD3 LYS 14 HD1 LYS 14 -4.207 -7.569 1.480
109 HE2 LYS 14 HE2 LYS 14 -5.697 -8.291 3.265
110 HE3 LYS 14 HE1 LYS 14 -4.149 -7.754 3.917
111 HZ1 LYS 14 HZ1 LYS 14 -6.644 -6.142 3.853
112 HZ2 LYS 14 HZ2 LYS 14 -5.164 -5.642 4.498
113 HZ3 LYS 14 HZ3 LYS 14 -6.010 -6.916 5.216
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 0.598 -3.793 -5.388
2 H2 HIS 1 HT2 HIS 1 0.812 -2.439 -6.375
3 H3 HIS 1 HT3 HIS 1 -0.654 -2.667 -5.558
4 HA HIS 1 HA HIS 1 0.402 -2.367 -3.448
5 HB2 HIS 1 HB2 HIS 1 2.834 -2.519 -5.132
6 HB3 HIS 1 HB1 HIS 1 2.875 -1.344 -3.829
7 HD1 HIS 1 HD1 HIS 1 4.568 -2.597 -2.400
8 HD2 HIS 1 HD2 HIS 1 1.225 -4.878 -3.353
9 HE1 HIS 1 HE1 HIS 1 4.669 -4.603 -0.880
10 HE2 HIS 1 HE2 HIS 1 2.579 -5.918 -1.414
11 H GLN 2 HN GLN 2 -1.023 -0.703 -3.374
12 HA GLN 2 HA GLN 2 -0.816 1.580 -5.081
13 HB2 GLN 2 HB2 GLN 2 -2.979 0.753 -4.328
14 HB3 GLN 2 HB1 GLN 2 -2.537 1.068 -2.655
15 HG2 GLN 2 HG2 GLN 2 -2.427 3.454 -3.134
16 HG3 GLN 2 HG1 GLN 2 -2.863 3.142 -4.811
17 HE21 GLN 2 HE21 GLN 2 -4.194 4.713 -2.718
18 HE22 GLN 2 HE22 GLN 2 -5.795 4.070 -2.593
19 H VAL 3 HN VAL 3 0.708 3.013 -4.846
20 HA VAL 3 HA VAL 3 2.418 4.221 -3.919
21 HB VAL 3 HB VAL 3 1.536 6.205 -2.759
22 HG11 VAL 3 HG11 VAL 3 0.108 6.959 -4.599
23 HG12 VAL 3 HG12 VAL 3 -0.062 5.289 -5.141
24 HG13 VAL 3 HG13 VAL 3 1.518 6.073 -5.182
25 HG21 VAL 3 HG21 VAL 3 -0.849 6.470 -2.377
26 HG22 VAL 3 HG22 VAL 3 -0.228 5.122 -1.424
27 HG23 VAL 3 HG23 VAL 3 -1.134 4.813 -2.903
28 HA PRO 4 HA PRO 4 2.762 2.265 0.282
29 HB2 PRO 4 HB2 PRO 4 4.888 0.606 -0.778
30 HB3 PRO 4 HB1 PRO 4 3.343 0.112 -0.083
31 HG2 PRO 4 HG2 PRO 4 3.912 -0.223 -2.698
32 HG3 PRO 4 HG1 PRO 4 2.270 0.124 -2.111
33 HD2 PRO 4 HD2 PRO 4 4.304 2.045 -3.233
34 HD3 PRO 4 HD1 PRO 4 2.591 1.845 -3.682
35 H SER 5 HN SER 5 5.616 2.584 -1.866
36 HA SER 5 HA SER 5 7.774 3.117 -1.412
37 HB2 SER 5 HB2 SER 5 6.595 4.811 0.813
38 HB3 SER 5 HB1 SER 5 8.234 4.939 0.175
39 HG SER 5 HG SER 5 7.397 5.629 -1.780
40 H GLY 6 HN GLY 6 6.858 0.754 -0.531
41 HA2 GLY 6 HA2 GLY 6 8.648 -0.078 1.444
42 HA3 GLY 6 HA1 GLY 6 7.091 0.198 2.216
43 HA PRO 7 HA PRO 7 7.141 -4.046 0.311
44 HB2 PRO 7 HB2 PRO 7 6.944 -5.546 2.512
45 HB3 PRO 7 HB1 PRO 7 8.488 -4.840 2.019
46 HG2 PRO 7 HG2 PRO 7 6.583 -3.940 4.138
47 HG3 PRO 7 HG1 PRO 7 8.354 -3.977 4.167
48 HD2 PRO 7 HD2 PRO 7 6.815 -1.730 3.643
49 HD3 PRO 7 HD1 PRO 7 8.515 -1.929 3.183
50 H ASN 8 HN ASN 8 4.876 -2.111 1.508
51 HA ASN 8 HA ASN 8 2.740 -3.760 0.599
52 HB2 ASN 8 HB2 ASN 8 1.457 -3.859 2.695
53 HB3 ASN 8 HB1 ASN 8 2.985 -4.724 2.837
54 HD21 ASN 8 HD21 ASN 8 4.560 -3.950 4.218
55 HD22 ASN 8 HD22 ASN 8 4.263 -2.693 5.368
56 HA PRO 9 HA PRO 9 1.214 0.239 -0.352
57 HB2 PRO 9 HB2 PRO 9 -1.485 -0.218 -0.344
58 HB3 PRO 9 HB1 PRO 9 -0.408 -0.691 -1.663
59 HG2 PRO 9 HG2 PRO 9 -1.487 -2.335 0.586
60 HG3 PRO 9 HG1 PRO 9 -1.312 -2.761 -1.125
61 HD2 PRO 9 HD2 PRO 9 0.426 -3.625 0.729
62 HD3 PRO 9 HD1 PRO 9 0.951 -3.202 -0.916
63 H LEU 10 HN LEU 10 1.287 1.860 1.006
64 HA LEU 10 HA LEU 10 0.487 1.584 3.733
65 HB2 LEU 10 HB2 LEU 10 1.811 3.673 2.104
66 HB3 LEU 10 HB1 LEU 10 0.974 4.220 3.543
67 HG LEU 10 HG LEU 10 3.338 3.866 3.999
68 HD11 LEU 10 HD11 LEU 10 3.147 2.454 5.949
69 HD12 LEU 10 HD12 LEU 10 1.660 1.745 5.325
70 HD13 LEU 10 HD13 LEU 10 1.700 3.448 5.783
71 HD21 LEU 10 HD21 LEU 10 2.831 1.005 3.197
72 HD22 LEU 10 HD22 LEU 10 4.312 1.618 3.932
73 HD23 LEU 10 HD23 LEU 10 3.829 2.174 2.330
74 H HIS 11 HN HIS 11 -1.522 1.683 4.383
75 HA HIS 11 HA HIS 11 -3.608 2.410 4.821
76 HB2 HIS 11 HB2 HIS 11 -2.725 4.867 3.308
77 HB3 HIS 11 HB1 HIS 11 -4.297 4.714 4.086
78 HD1 HIS 11 HD1 HIS 11 -4.349 4.773 6.678
79 HD2 HIS 11 HD2 HIS 11 -0.570 5.294 5.028
80 HE1 HIS 11 HE1 HIS 11 -2.898 5.608 8.556
81 HE2 HIS 11 HE2 HIS 11 -0.603 5.869 7.553
82 H ASN 12 HN ASN 12 -5.712 2.736 3.887
83 HA ASN 12 HA ASN 12 -7.372 2.243 2.426
84 HB2 ASN 12 HB2 ASN 12 -6.142 3.808 0.878
85 HB3 ASN 12 HB1 ASN 12 -5.315 2.408 0.210
86 HD21 ASN 12 HD21 ASN 12 -8.681 2.411 1.212
87 HD22 ASN 12 HD22 ASN 12 -9.336 2.227 -0.376
88 H LYS 13 HN LYS 13 -5.179 0.379 3.477
89 HA LYS 13 HA LYS 13 -4.811 -1.846 3.636
90 HB2 LYS 13 HB2 LYS 13 -7.394 -2.054 2.080
91 HB3 LYS 13 HB1 LYS 13 -6.598 -3.388 2.903
92 HG2 LYS 13 HG2 LYS 13 -7.672 -0.910 4.234
93 HG3 LYS 13 HG1 LYS 13 -8.465 -2.486 4.203
94 HD2 LYS 13 HD2 LYS 13 -6.595 -3.460 5.428
95 HD3 LYS 13 HD1 LYS 13 -5.765 -1.902 5.418
96 HE2 LYS 13 HE2 LYS 13 -7.585 -0.921 6.720
97 HE3 LYS 13 HE1 LYS 13 -8.425 -2.469 6.721
98 HZ1 LYS 13 HZ1 LYS 13 -5.768 -1.949 7.941
99 HZ2 LYS 13 HZ2 LYS 13 -6.583 -3.428 7.955
100 HZ3 LYS 13 HZ3 LYS 13 -7.223 -2.102 8.784
101 H LYS 14 HN LYS 14 -4.981 -3.993 2.048
102 HA LYS 14 HA LYS 14 -3.248 -3.213 -0.185
103 HB2 LYS 14 HB2 LYS 14 -3.631 -5.978 0.982
104 HB3 LYS 14 HB1 LYS 14 -2.406 -5.480 -0.172
105 HG2 LYS 14 HG2 LYS 14 -1.147 -5.456 1.707
106 HG3 LYS 14 HG1 LYS 14 -1.770 -3.810 1.783
107 HD2 LYS 14 HD2 LYS 14 -1.995 -4.772 3.949
108 HD3 LYS 14 HD1 LYS 14 -3.608 -4.655 3.247
109 HE2 LYS 14 HE2 LYS 14 -3.223 -6.809 4.391
110 HE3 LYS 14 HE1 LYS 14 -3.574 -7.004 2.675
111 HZ1 LYS 14 HZ1 LYS 14 -0.856 -7.041 3.870
112 HZ2 LYS 14 HZ2 LYS 14 -1.234 -7.311 2.245
113 HZ3 LYS 14 HZ3 LYS 14 -1.736 -8.411 3.425