Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566657 | 2md3 RC | 19470 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 1.434 0.303 -2.039
3 HB2 LYS 1 2HB LYS 1 3.839 0.764 -0.269
4 HB3 LYS 1 3HB LYS 1 3.880 0.878 -2.024
5 HG2 LYS 1 2HG LYS 1 3.559 3.065 -1.531
6 HG3 LYS 1 3HG LYS 1 1.871 2.551 -1.588
7 HD2 LYS 1 2HD LYS 1 1.937 2.215 0.866
8 HD3 LYS 1 3HD LYS 1 3.584 2.851 0.879
9 HE2 LYS 1 2HE LYS 1 2.872 4.965 0.762
10 HE3 LYS 1 3HE LYS 1 1.722 4.592 -0.520
11 HZ1 LYS 1 3HZ LYS 1 0.941 3.571 2.050
12 HZ2 LYS 1 1HZ LYS 1 0.050 4.470 0.928
13 HZ3 LYS 1 2HZ LYS 1 1.074 5.257 2.020
14 H PHE 2 H PHE 2 1.109 -2.231 -0.553
15 HA PHE 2 HA PHE 2 3.255 -3.787 -1.841
16 HB2 PHE 2 2HB PHE 2 2.044 -3.955 0.822
17 HB3 PHE 2 3HB PHE 2 2.103 -5.502 -0.017
18 HD1 PHE 2 HD2 PHE 2 4.455 -2.610 0.067
19 HD2 PHE 2 HD1 PHE 2 3.827 -6.746 0.853
20 HE1 PHE 2 HE2 PHE 2 6.825 -2.849 0.685
21 HE2 PHE 2 HE1 PHE 2 6.195 -6.991 1.473
22 HZ PHE 2 HZ PHE 2 7.698 -5.042 1.389
23 H GLY 3 H GLY 3 -0.184 -3.419 -1.342
24 HA2 GLY 3 2HA GLY 3 -0.711 -5.743 -3.065
25 HA3 GLY 3 3HA GLY 3 -1.891 -4.946 -2.035
26 H LYS 4 H LYS 4 0.203 -2.952 -3.904
27 HA LYS 4 HA LYS 4 -2.022 -1.847 -5.337
28 HB2 LYS 4 2HB LYS 4 -0.377 -0.282 -4.709
29 HB3 LYS 4 3HB LYS 4 0.935 -1.293 -5.301
30 HG2 LYS 4 2HG LYS 4 -1.011 -0.447 -7.334
31 HG3 LYS 4 3HG LYS 4 -0.050 0.846 -6.614
32 HD2 LYS 4 2HD LYS 4 1.817 0.188 -7.663
33 HD3 LYS 4 3HD LYS 4 1.520 -1.516 -7.307
34 HE2 LYS 4 2HE LYS 4 -0.383 -1.127 -9.142
35 HE3 LYS 4 3HE LYS 4 0.766 0.099 -9.675
36 HZ1 LYS 4 3HZ LYS 4 1.995 -1.475 -10.596
37 HZ2 LYS 4 1HZ LYS 4 0.852 -2.641 -10.150
38 HZ3 LYS 4 2HZ LYS 4 2.147 -2.288 -9.120
39 H ASN 5 H ASN 5 0.446 -4.194 -5.987
40 HA ASN 5 HA ASN 5 -0.182 -4.199 -8.846
41 HB2 ASN 5 2HB ASN 5 2.211 -4.256 -8.014
42 HB3 ASN 5 3HB ASN 5 1.883 -5.883 -7.424
43 HD21 ASN 5 1HD2 ASN 5 2.822 -7.277 -8.722
44 HD22 ASN 5 2HD2 ASN 5 2.788 -7.242 -10.449
45 H LYS 6 H LYS 6 -2.029 -5.156 -6.734
46 HA LYS 6 HA LYS 6 -2.247 -7.976 -7.559
47 HB2 LYS 6 2HB LYS 6 -3.416 -6.685 -5.088
48 HB3 LYS 6 3HB LYS 6 -3.468 -8.394 -5.500
49 HG2 LYS 6 2HG LYS 6 -0.933 -6.852 -4.994
50 HG3 LYS 6 3HG LYS 6 -1.780 -7.813 -3.779
51 HD2 LYS 6 2HD LYS 6 -1.589 -9.660 -5.690
52 HD3 LYS 6 3HD LYS 6 -0.187 -8.682 -6.129
53 HE2 LYS 6 2HE LYS 6 0.651 -10.298 -4.653
54 HE3 LYS 6 3HE LYS 6 0.480 -8.843 -3.673
55 HZ1 LYS 6 3HZ LYS 6 -0.399 -11.137 -2.829
56 HZ2 LYS 6 1HZ LYS 6 -1.752 -10.741 -3.765
57 HZ3 LYS 6 2HZ LYS 6 -1.261 -9.717 -2.512
58 H SER 7 H SER 7 -3.212 -5.608 -9.005
59 HA SER 7 HA SER 7 -6.114 -5.808 -8.725
60 HB2 SER 7 2HB SER 7 -4.315 -3.741 -9.528
61 HB3 SER 7 3HB SER 7 -5.387 -4.094 -10.882
62 HG SER 7 HG SER 7 -7.033 -3.333 -9.789
63 H ARG 8 H ARG 8 -3.905 -5.693 -11.524
64 HA ARG 8 HA ARG 8 -5.653 -6.905 -13.327
65 HB2 ARG 8 2HB ARG 8 -2.632 -6.836 -13.299
66 HB3 ARG 8 3HB ARG 8 -3.591 -7.392 -14.665
67 HG2 ARG 8 2HG ARG 8 -3.977 -4.658 -13.502
68 HG3 ARG 8 3HG ARG 8 -2.718 -4.988 -14.694
69 HD2 ARG 8 2HD ARG 8 -4.211 -5.327 -16.382
70 HD3 ARG 8 3HD ARG 8 -5.459 -5.943 -15.299
71 HE ARG 8 HE ARG 8 -6.273 -3.817 -15.093
72 HH11 ARG 8 1HH1 ARG 8 -3.045 -3.673 -16.389
73 HH12 ARG 8 2HH1 ARG 8 -3.107 -1.971 -16.705
74 HH21 ARG 8 1HH2 ARG 8 -6.367 -1.575 -15.504
75 HH22 ARG 8 2HH2 ARG 8 -4.997 -0.778 -16.200
Start of MODEL 2
1 H1 LYS 1 H LYS 1 2.849 -0.269 0.037
2 HA LYS 1 HA LYS 1 1.514 0.103 -1.774
3 HB2 LYS 1 2HB LYS 1 4.275 0.515 -2.904
4 HB3 LYS 1 3HB LYS 1 2.831 0.775 -3.875
5 HG2 LYS 1 2HG LYS 1 3.134 2.888 -3.122
6 HG3 LYS 1 3HG LYS 1 2.157 2.267 -1.789
7 HD2 LYS 1 2HD LYS 1 4.863 1.627 -1.242
8 HD3 LYS 1 3HD LYS 1 4.804 3.324 -1.725
9 HE2 LYS 1 2HE LYS 1 3.214 3.829 -0.024
10 HE3 LYS 1 3HE LYS 1 2.968 2.122 0.339
11 HZ1 LYS 1 3HZ LYS 1 4.471 2.456 1.933
12 HZ2 LYS 1 1HZ LYS 1 5.011 3.916 1.270
13 HZ3 LYS 1 2HZ LYS 1 5.630 2.449 0.700
14 H PHE 2 H PHE 2 2.156 -2.655 -1.222
15 HA PHE 2 HA PHE 2 2.204 -3.821 -3.918
16 HB2 PHE 2 2HB PHE 2 3.220 -4.678 -1.313
17 HB3 PHE 2 3HB PHE 2 2.309 -5.935 -2.144
18 HD1 PHE 2 HD1 PHE 2 5.158 -3.601 -2.497
19 HD2 PHE 2 HD2 PHE 2 3.245 -7.120 -3.936
20 HE1 PHE 2 HE1 PHE 2 7.127 -4.099 -3.886
21 HE2 PHE 2 HE2 PHE 2 5.211 -7.625 -5.326
22 HZ PHE 2 HZ PHE 2 7.156 -6.114 -5.301
23 H GLY 3 H GLY 3 0.250 -3.375 -1.087
24 HA2 GLY 3 2HA GLY 3 -1.656 -5.409 -1.522
25 HA3 GLY 3 3HA GLY 3 -1.923 -3.935 -0.603
26 H LYS 4 H LYS 4 -1.500 -2.060 -2.658
27 HA LYS 4 HA LYS 4 -4.060 -2.180 -3.944
28 HB2 LYS 4 2HB LYS 4 -3.399 -0.025 -3.259
29 HB3 LYS 4 3HB LYS 4 -1.795 -0.200 -3.959
30 HG2 LYS 4 2HG LYS 4 -4.021 -0.375 -5.869
31 HG3 LYS 4 3HG LYS 4 -3.807 1.195 -5.090
32 HD2 LYS 4 2HD LYS 4 -1.932 1.627 -6.238
33 HD3 LYS 4 3HD LYS 4 -1.301 -0.003 -5.991
34 HE2 LYS 4 2HE LYS 4 -2.059 -0.727 -7.979
35 HE3 LYS 4 3HE LYS 4 -3.579 0.155 -7.830
36 HZ1 LYS 4 3HZ LYS 4 -1.611 2.064 -8.169
37 HZ2 LYS 4 1HZ LYS 4 -2.779 1.587 -9.298
38 HZ3 LYS 4 2HZ LYS 4 -1.257 0.848 -9.292
39 H ASN 5 H ASN 5 -0.788 -2.911 -4.828
40 HA ASN 5 HA ASN 5 -1.612 -3.284 -7.629
41 HB2 ASN 5 2HB ASN 5 0.335 -1.745 -7.140
42 HB3 ASN 5 3HB ASN 5 1.219 -3.162 -6.580
43 HD21 ASN 5 1HD2 ASN 5 2.770 -3.142 -8.136
44 HD22 ASN 5 2HD2 ASN 5 2.452 -3.445 -9.807
45 H LYS 6 H LYS 6 -2.175 -5.131 -5.435
46 HA LYS 6 HA LYS 6 -0.394 -7.331 -5.508
47 HB2 LYS 6 2HB LYS 6 -2.208 -8.584 -4.438
48 HB3 LYS 6 3HB LYS 6 -1.991 -7.010 -3.683
49 HG2 LYS 6 2HG LYS 6 -4.253 -7.033 -3.841
50 HG3 LYS 6 3HG LYS 6 -3.871 -6.325 -5.413
51 HD2 LYS 6 2HD LYS 6 -4.585 -8.141 -6.542
52 HD3 LYS 6 3HD LYS 6 -3.922 -9.265 -5.353
53 HE2 LYS 6 2HE LYS 6 -5.803 -8.848 -3.876
54 HE3 LYS 6 3HE LYS 6 -6.447 -7.652 -5.000
55 HZ1 LYS 6 3HZ LYS 6 -5.992 -10.447 -5.838
56 HZ2 LYS 6 1HZ LYS 6 -7.004 -9.285 -6.537
57 HZ3 LYS 6 2HZ LYS 6 -7.422 -9.991 -5.058
58 H SER 7 H SER 7 -2.992 -6.296 -7.565
59 HA SER 7 HA SER 7 -3.682 -8.685 -8.815
60 HB2 SER 7 2HB SER 7 -3.866 -5.813 -9.481
61 HB3 SER 7 3HB SER 7 -3.913 -6.910 -10.861
62 HG SER 7 HG SER 7 -5.791 -7.672 -10.212
63 H ARG 8 H ARG 8 -0.971 -6.516 -9.386
64 HA ARG 8 HA ARG 8 -0.061 -8.051 -11.673
65 HB2 ARG 8 2HB ARG 8 0.462 -5.432 -10.559
66 HB3 ARG 8 3HB ARG 8 1.965 -6.278 -10.906
67 HG2 ARG 8 2HG ARG 8 1.391 -5.002 -12.824
68 HG3 ARG 8 3HG ARG 8 1.105 -6.700 -13.210
69 HD2 ARG 8 2HD ARG 8 -1.115 -6.405 -13.432
70 HD3 ARG 8 3HD ARG 8 -1.202 -5.290 -12.069
71 HE ARG 8 HE ARG 8 0.049 -3.874 -14.043
72 HH11 ARG 8 1HH1 ARG 8 -2.974 -5.577 -13.759
73 HH12 ARG 8 2HH1 ARG 8 -3.808 -4.546 -14.875
74 HH21 ARG 8 1HH2 ARG 8 -1.038 -2.511 -15.513
75 HH22 ARG 8 2HH2 ARG 8 -2.706 -2.804 -15.873
Start of MODEL 3
1 H1 LYS 1 H LYS 1 0.923 -0.939 1.039
2 HA LYS 1 HA LYS 1 -0.641 0.070 -1.244
3 HB2 LYS 1 2HB LYS 1 1.846 1.063 0.105
4 HB3 LYS 1 3HB LYS 1 1.545 1.464 -1.580
5 HG2 LYS 1 2HG LYS 1 0.078 3.035 -1.032
6 HG3 LYS 1 3HG LYS 1 -0.788 1.947 0.055
7 HD2 LYS 1 2HD LYS 1 -0.022 3.666 1.447
8 HD3 LYS 1 3HD LYS 1 1.137 2.358 1.695
9 HE2 LYS 1 2HE LYS 1 2.125 3.832 -0.464
10 HE3 LYS 1 3HE LYS 1 1.566 5.030 0.701
11 HZ1 LYS 1 3HZ LYS 1 3.567 4.694 1.617
12 HZ2 LYS 1 1HZ LYS 1 3.793 3.195 0.866
13 HZ3 LYS 1 2HZ LYS 1 2.870 3.302 2.279
14 H PHE 2 H PHE 2 0.439 -2.661 -0.842
15 HA PHE 2 HA PHE 2 2.286 -2.756 -3.136
16 HB2 PHE 2 2HB PHE 2 1.985 -4.775 -0.902
17 HB3 PHE 2 3HB PHE 2 3.127 -4.874 -2.239
18 HD1 PHE 2 HD2 PHE 2 4.956 -3.177 -2.407
19 HD2 PHE 2 HD1 PHE 2 2.469 -3.528 1.029
20 HE1 PHE 2 HE2 PHE 2 6.612 -1.927 -1.086
21 HE2 PHE 2 HE1 PHE 2 4.121 -2.277 2.356
22 HZ PHE 2 HZ PHE 2 6.196 -1.475 1.300
23 H GLY 3 H GLY 3 -0.541 -2.589 -3.421
24 HA2 GLY 3 2HA GLY 3 -1.246 -5.320 -4.282
25 HA3 GLY 3 3HA GLY 3 -2.404 -4.048 -3.921
26 H LYS 4 H LYS 4 0.453 -3.339 -5.763
27 HA LYS 4 HA LYS 4 -1.130 -2.442 -7.980
28 HB2 LYS 4 2HB LYS 4 0.776 -1.132 -7.534
29 HB3 LYS 4 3HB LYS 4 1.823 -2.540 -7.412
30 HG2 LYS 4 2HG LYS 4 0.522 -2.166 -10.021
31 HG3 LYS 4 3HG LYS 4 1.690 -0.923 -9.566
32 HD2 LYS 4 2HD LYS 4 3.438 -2.316 -9.800
33 HD3 LYS 4 3HD LYS 4 2.586 -3.664 -9.043
34 HE2 LYS 4 2HE LYS 4 3.022 -4.280 -11.300
35 HE3 LYS 4 3HE LYS 4 1.299 -3.928 -11.177
36 HZ1 LYS 4 3HZ LYS 4 2.553 -2.980 -13.155
37 HZ2 LYS 4 1HZ LYS 4 3.233 -1.879 -12.066
38 HZ3 LYS 4 2HZ LYS 4 1.558 -1.916 -12.295
39 H ASN 5 H ASN 5 0.644 -5.311 -7.180
40 HA ASN 5 HA ASN 5 0.321 -6.315 -9.925
41 HB2 ASN 5 2HB ASN 5 2.009 -7.973 -9.393
42 HB3 ASN 5 3HB ASN 5 2.617 -6.374 -8.973
43 HD21 ASN 5 1HD2 ASN 5 2.466 -9.462 -7.964
44 HD22 ASN 5 2HD2 ASN 5 2.625 -9.233 -6.259
45 H LYS 6 H LYS 6 -1.821 -6.129 -7.929
46 HA LYS 6 HA LYS 6 -2.407 -8.992 -7.557
47 HB2 LYS 6 2HB LYS 6 -3.589 -6.637 -6.074
48 HB3 LYS 6 3HB LYS 6 -3.924 -8.335 -5.760
49 HG2 LYS 6 2HG LYS 6 -1.215 -7.053 -5.476
50 HG3 LYS 6 3HG LYS 6 -2.350 -7.313 -4.150
51 HD2 LYS 6 2HD LYS 6 -2.318 -9.784 -4.944
52 HD3 LYS 6 3HD LYS 6 -0.820 -9.324 -5.758
53 HE2 LYS 6 2HE LYS 6 -0.162 -8.353 -3.444
54 HE3 LYS 6 3HE LYS 6 -1.442 -9.398 -2.830
55 HZ1 LYS 6 3HZ LYS 6 -0.260 -11.256 -3.262
56 HZ2 LYS 6 1HZ LYS 6 1.056 -10.204 -3.105
57 HZ3 LYS 6 2HZ LYS 6 0.484 -10.619 -4.642
58 H SER 7 H SER 7 -4.170 -5.920 -8.011
59 HA SER 7 HA SER 7 -6.455 -7.171 -9.130
60 HB2 SER 7 2HB SER 7 -7.113 -4.844 -9.765
61 HB3 SER 7 3HB SER 7 -6.664 -5.005 -8.067
62 HG SER 7 HG SER 7 -5.227 -3.532 -8.429
63 H ARG 8 H ARG 8 -3.484 -5.943 -10.466
64 HA ARG 8 HA ARG 8 -4.490 -6.446 -13.186
65 HB2 ARG 8 2HB ARG 8 -2.120 -4.811 -12.262
66 HB3 ARG 8 3HB ARG 8 -2.557 -5.085 -13.943
67 HG2 ARG 8 2HG ARG 8 -3.902 -3.334 -13.880
68 HG3 ARG 8 3HG ARG 8 -4.850 -4.100 -12.604
69 HD2 ARG 8 2HD ARG 8 -3.242 -3.207 -10.942
70 HD3 ARG 8 3HD ARG 8 -2.415 -2.359 -12.249
71 HE ARG 8 HE ARG 8 -5.008 -1.539 -12.444
72 HH11 ARG 8 1HH1 ARG 8 -2.620 -1.551 -9.911
73 HH12 ARG 8 2HH1 ARG 8 -3.244 -0.131 -9.138
74 HH21 ARG 8 1HH2 ARG 8 -5.839 0.331 -11.436
75 HH22 ARG 8 2HH2 ARG 8 -5.075 0.938 -10.006
Start of MODEL 4
1 H1 LYS 1 H LYS 1 3.081 -1.433 0.245
2 HA LYS 1 HA LYS 1 1.206 -0.875 -1.758
3 HB2 LYS 1 2HB LYS 1 3.795 0.642 -1.933
4 HB3 LYS 1 3HB LYS 1 2.911 0.193 -3.385
5 HG2 LYS 1 2HG LYS 1 1.514 1.892 -3.135
6 HG3 LYS 1 3HG LYS 1 1.143 1.413 -1.477
7 HD2 LYS 1 2HD LYS 1 3.109 2.596 -0.673
8 HD3 LYS 1 3HD LYS 1 3.550 3.024 -2.327
9 HE2 LYS 1 2HE LYS 1 2.493 4.945 -1.629
10 HE3 LYS 1 3HE LYS 1 1.160 4.073 -2.385
11 HZ1 LYS 1 3HZ LYS 1 0.116 3.825 -0.437
12 HZ2 LYS 1 1HZ LYS 1 1.098 5.097 0.094
13 HZ3 LYS 1 2HZ LYS 1 1.538 3.496 0.420
14 H PHE 2 H PHE 2 2.233 -3.180 -0.676
15 HA PHE 2 HA PHE 2 4.106 -4.260 -2.646
16 HB2 PHE 2 2HB PHE 2 3.036 -5.401 -0.058
17 HB3 PHE 2 3HB PHE 2 4.137 -6.256 -1.133
18 HD1 PHE 2 HD2 PHE 2 6.446 -5.489 -1.411
19 HD2 PHE 2 HD1 PHE 2 3.798 -3.640 1.361
20 HE1 PHE 2 HE2 PHE 2 8.364 -4.432 -0.290
21 HE2 PHE 2 HE1 PHE 2 5.712 -2.579 2.486
22 HZ PHE 2 HZ PHE 2 7.999 -2.976 1.662
23 H GLY 3 H GLY 3 0.770 -4.386 -1.703
24 HA2 GLY 3 2HA GLY 3 0.305 -6.590 -3.608
25 HA3 GLY 3 3HA GLY 3 -0.770 -6.167 -2.283
26 H LYS 4 H LYS 4 0.663 -3.692 -4.260
27 HA LYS 4 HA LYS 4 -1.927 -2.717 -5.014
28 HB2 LYS 4 2HB LYS 4 -0.331 -1.041 -4.577
29 HB3 LYS 4 3HB LYS 4 0.893 -1.827 -5.566
30 HG2 LYS 4 2HG LYS 4 -1.543 -1.017 -6.997
31 HG3 LYS 4 3HG LYS 4 -0.563 0.302 -6.352
32 HD2 LYS 4 2HD LYS 4 1.094 -0.049 -7.830
33 HD3 LYS 4 3HD LYS 4 0.976 -1.805 -7.689
34 HE2 LYS 4 2HE LYS 4 0.388 -1.250 -9.921
35 HE3 LYS 4 3HE LYS 4 -1.107 -1.673 -9.088
36 HZ1 LYS 4 3HZ LYS 4 -0.949 0.462 -10.563
37 HZ2 LYS 4 1HZ LYS 4 -0.296 1.143 -9.159
38 HZ3 LYS 4 2HZ LYS 4 -1.847 0.470 -9.130
39 H ASN 5 H ASN 5 0.524 -4.683 -6.480
40 HA ASN 5 HA ASN 5 -0.993 -4.667 -9.006
41 HB2 ASN 5 2HB ASN 5 1.079 -5.325 -10.138
42 HB3 ASN 5 3HB ASN 5 1.297 -3.810 -9.267
43 HD21 ASN 5 1HD2 ASN 5 3.116 -3.663 -8.193
44 HD22 ASN 5 2HD2 ASN 5 4.017 -4.976 -7.521
45 H LYS 6 H LYS 6 -1.457 -6.282 -6.579
46 HA LYS 6 HA LYS 6 -0.533 -8.916 -6.914
47 HB2 LYS 6 2HB LYS 6 -2.192 -9.552 -5.322
48 HB3 LYS 6 3HB LYS 6 -1.612 -7.960 -4.851
49 HG2 LYS 6 2HG LYS 6 -3.670 -7.169 -6.304
50 HG3 LYS 6 3HG LYS 6 -4.261 -8.783 -5.903
51 HD2 LYS 6 2HD LYS 6 -3.129 -7.240 -3.660
52 HD3 LYS 6 3HD LYS 6 -4.630 -6.610 -4.343
53 HE2 LYS 6 2HE LYS 6 -4.566 -9.517 -3.880
54 HE3 LYS 6 3HE LYS 6 -4.507 -8.518 -2.429
55 HZ1 LYS 6 3HZ LYS 6 -6.463 -7.335 -3.830
56 HZ2 LYS 6 1HZ LYS 6 -6.721 -8.518 -2.648
57 HZ3 LYS 6 2HZ LYS 6 -6.681 -8.951 -4.282
58 H SER 7 H SER 7 -3.052 -7.125 -8.477
59 HA SER 7 HA SER 7 -3.992 -9.577 -9.809
60 HB2 SER 7 2HB SER 7 -5.783 -8.406 -8.657
61 HB3 SER 7 3HB SER 7 -5.363 -6.899 -9.470
62 HG SER 7 HG SER 7 -6.426 -7.536 -11.168
63 H ARG 8 H ARG 8 -2.531 -6.467 -10.265
64 HA ARG 8 HA ARG 8 -2.937 -6.316 -13.089
65 HB2 ARG 8 2HB ARG 8 -2.056 -4.573 -11.126
66 HB3 ARG 8 3HB ARG 8 -0.608 -4.879 -12.076
67 HG2 ARG 8 2HG ARG 8 -1.633 -2.972 -13.008
68 HG3 ARG 8 3HG ARG 8 -1.963 -4.304 -14.118
69 HD2 ARG 8 2HD ARG 8 -4.140 -3.911 -13.936
70 HD3 ARG 8 3HD ARG 8 -4.051 -4.239 -12.206
71 HE ARG 8 HE ARG 8 -4.264 -2.002 -11.833
72 HH11 ARG 8 1HH1 ARG 8 -3.133 -2.478 -15.091
73 HH12 ARG 8 2HH1 ARG 8 -3.224 -0.799 -15.507
74 HH21 ARG 8 1HH2 ARG 8 -4.388 0.211 -12.368
75 HH22 ARG 8 2HH2 ARG 8 -3.937 0.730 -13.957
Start of MODEL 5
1 H1 LYS 1 H LYS 1 4.322 -1.207 -0.921
2 HA LYS 1 HA LYS 1 1.409 -1.283 -0.482
3 HB2 LYS 1 2HB LYS 1 1.216 0.407 -2.297
4 HB3 LYS 1 3HB LYS 1 2.055 1.006 -0.872
5 HG2 LYS 1 2HG LYS 1 3.643 1.706 -2.254
6 HG3 LYS 1 3HG LYS 1 4.087 0.010 -2.456
7 HD2 LYS 1 2HD LYS 1 3.633 0.263 -4.624
8 HD3 LYS 1 3HD LYS 1 1.931 0.367 -4.170
9 HE2 LYS 1 2HE LYS 1 3.816 2.717 -4.317
10 HE3 LYS 1 3HE LYS 1 2.703 2.245 -5.601
11 HZ1 LYS 1 3HZ LYS 1 1.974 4.048 -3.960
12 HZ2 LYS 1 1HZ LYS 1 1.719 2.778 -2.871
13 HZ3 LYS 1 2HZ LYS 1 0.869 2.822 -4.333
14 H PHE 2 H PHE 2 3.315 -3.383 -1.354
15 HA PHE 2 HA PHE 2 2.871 -3.789 -4.159
16 HB2 PHE 2 2HB PHE 2 4.215 -5.271 -1.960
17 HB3 PHE 2 3HB PHE 2 3.680 -6.211 -3.349
18 HD1 PHE 2 HD2 PHE 2 4.411 -5.351 -5.673
19 HD2 PHE 2 HD1 PHE 2 6.249 -4.179 -2.017
20 HE1 PHE 2 HE2 PHE 2 6.427 -4.671 -6.908
21 HE2 PHE 2 HE1 PHE 2 8.268 -3.497 -3.247
22 HZ PHE 2 HZ PHE 2 8.360 -3.744 -5.695
23 H GLY 3 H GLY 3 1.328 -4.788 -1.185
24 HA2 GLY 3 2HA GLY 3 -0.222 -6.910 -2.218
25 HA3 GLY 3 3HA GLY 3 -0.589 -5.983 -0.771
26 H LYS 4 H LYS 4 -0.569 -3.474 -2.455
27 HA LYS 4 HA LYS 4 -3.373 -3.498 -3.061
28 HB2 LYS 4 2HB LYS 4 -2.577 -1.475 -2.155
29 HB3 LYS 4 3HB LYS 4 -1.202 -1.424 -3.251
30 HG2 LYS 4 2HG LYS 4 -3.840 -1.365 -4.545
31 HG3 LYS 4 3HG LYS 4 -3.445 0.041 -3.554
32 HD2 LYS 4 2HD LYS 4 -1.172 -0.678 -5.138
33 HD3 LYS 4 3HD LYS 4 -2.589 -0.532 -6.179
34 HE2 LYS 4 2HE LYS 4 -1.705 1.547 -4.181
35 HE3 LYS 4 3HE LYS 4 -1.325 1.589 -5.902
36 HZ1 LYS 4 3HZ LYS 4 -3.195 2.834 -5.927
37 HZ2 LYS 4 1HZ LYS 4 -3.850 2.113 -4.544
38 HZ3 LYS 4 2HZ LYS 4 -3.944 1.321 -6.035
39 H ASN 5 H ASN 5 -0.429 -3.864 -4.855
40 HA ASN 5 HA ASN 5 -1.891 -3.658 -7.394
41 HB2 ASN 5 2HB ASN 5 1.084 -3.718 -6.842
42 HB3 ASN 5 3HB ASN 5 0.360 -3.613 -8.444
43 HD21 ASN 5 1HD2 ASN 5 1.631 -1.882 -5.932
44 HD22 ASN 5 2HD2 ASN 5 0.990 -0.324 -6.315
45 H LYS 6 H LYS 6 -2.021 -5.929 -5.490
46 HA LYS 6 HA LYS 6 -0.534 -8.113 -6.500
47 HB2 LYS 6 2HB LYS 6 -1.959 -9.503 -5.167
48 HB3 LYS 6 3HB LYS 6 -1.656 -8.026 -4.262
49 HG2 LYS 6 2HG LYS 6 -3.866 -7.181 -5.144
50 HG3 LYS 6 3HG LYS 6 -4.160 -8.826 -5.715
51 HD2 LYS 6 2HD LYS 6 -3.862 -9.648 -3.408
52 HD3 LYS 6 3HD LYS 6 -3.645 -7.984 -2.862
53 HE2 LYS 6 2HE LYS 6 -5.853 -7.474 -3.103
54 HE3 LYS 6 3HE LYS 6 -6.080 -8.601 -4.439
55 HZ1 LYS 6 3HZ LYS 6 -7.125 -9.810 -2.886
56 HZ2 LYS 6 1HZ LYS 6 -6.365 -9.030 -1.591
57 HZ3 LYS 6 2HZ LYS 6 -5.566 -10.271 -2.416
58 H SER 7 H SER 7 -3.455 -6.560 -7.528
59 HA SER 7 HA SER 7 -4.446 -8.724 -9.111
60 HB2 SER 7 2HB SER 7 -5.100 -5.807 -9.519
61 HB3 SER 7 3HB SER 7 -6.108 -7.210 -9.871
62 HG SER 7 HG SER 7 -5.543 -5.987 -7.416
63 H ARG 8 H ARG 8 -2.591 -5.782 -9.798
64 HA ARG 8 HA ARG 8 -1.961 -6.900 -12.452
65 HB2 ARG 8 2HB ARG 8 -3.273 -4.878 -12.688
66 HB3 ARG 8 3HB ARG 8 -2.195 -4.009 -11.604
67 HG2 ARG 8 2HG ARG 8 -0.836 -5.198 -13.896
68 HG3 ARG 8 3HG ARG 8 -2.057 -4.000 -14.330
69 HD2 ARG 8 2HD ARG 8 -0.792 -2.312 -13.601
70 HD3 ARG 8 3HD ARG 8 -0.424 -3.143 -12.090
71 HE ARG 8 HE ARG 8 1.601 -3.696 -12.971
72 HH11 ARG 8 1HH1 ARG 8 -0.594 -3.033 -15.591
73 HH12 ARG 8 2HH1 ARG 8 0.613 -3.212 -16.820
74 HH21 ARG 8 1HH2 ARG 8 3.199 -3.934 -14.581
75 HH22 ARG 8 2HH2 ARG 8 2.771 -3.725 -16.245
Start of MODEL 6
1 H1 LYS 1 H LYS 1 3.402 -0.820 1.032
2 HA LYS 1 HA LYS 1 0.776 0.236 0.215
3 HB2 LYS 1 2HB LYS 1 2.077 1.591 -1.449
4 HB3 LYS 1 3HB LYS 1 2.376 2.013 0.232
5 HG2 LYS 1 2HG LYS 1 4.543 1.674 -0.038
6 HG3 LYS 1 3HG LYS 1 4.248 0.015 -0.563
7 HD2 LYS 1 2HD LYS 1 3.744 0.955 -2.850
8 HD3 LYS 1 3HD LYS 1 4.354 2.502 -2.260
9 HE2 LYS 1 2HE LYS 1 6.418 1.842 -2.743
10 HE3 LYS 1 3HE LYS 1 6.261 0.546 -1.559
11 HZ1 LYS 1 3HZ LYS 1 4.950 -0.479 -3.655
12 HZ2 LYS 1 1HZ LYS 1 6.588 -0.757 -3.335
13 HZ3 LYS 1 2HZ LYS 1 6.134 0.434 -4.446
14 H PHE 2 H PHE 2 1.678 -2.547 0.065
15 HA PHE 2 HA PHE 2 1.762 -2.902 -2.857
16 HB2 PHE 2 2HB PHE 2 3.494 -3.933 -1.025
17 HB3 PHE 2 3HB PHE 2 2.324 -5.242 -1.153
18 HD1 PHE 2 HD2 PHE 2 4.793 -3.230 -2.980
19 HD2 PHE 2 HD1 PHE 2 2.154 -6.566 -3.131
20 HE1 PHE 2 HE2 PHE 2 5.882 -3.993 -5.050
21 HE2 PHE 2 HE1 PHE 2 3.239 -7.335 -5.201
22 HZ PHE 2 HZ PHE 2 5.105 -6.048 -6.164
23 H GLY 3 H GLY 3 -0.634 -2.365 -1.287
24 HA2 GLY 3 2HA GLY 3 -2.045 -4.896 -1.127
25 HA3 GLY 3 3HA GLY 3 -2.698 -3.310 -0.748
26 H LYS 4 H LYS 4 -2.415 -1.887 -2.999
27 HA LYS 4 HA LYS 4 -4.413 -3.040 -4.704
28 HB2 LYS 4 2HB LYS 4 -4.611 -0.714 -4.386
29 HB3 LYS 4 3HB LYS 4 -2.903 -0.438 -4.702
30 HG2 LYS 4 2HG LYS 4 -4.416 -1.618 -6.929
31 HG3 LYS 4 3HG LYS 4 -4.877 0.026 -6.480
32 HD2 LYS 4 2HD LYS 4 -2.023 -0.187 -6.511
33 HD3 LYS 4 3HD LYS 4 -2.672 -0.801 -8.034
34 HE2 LYS 4 2HE LYS 4 -4.129 1.363 -7.952
35 HE3 LYS 4 3HE LYS 4 -2.886 1.930 -6.838
36 HZ1 LYS 4 3HZ LYS 4 -1.465 0.892 -8.907
37 HZ2 LYS 4 1HZ LYS 4 -1.790 2.534 -8.662
38 HZ3 LYS 4 2HZ LYS 4 -2.778 1.620 -9.686
39 H ASN 5 H ASN 5 -0.959 -2.748 -4.750
40 HA ASN 5 HA ASN 5 -0.840 -3.589 -7.553
41 HB2 ASN 5 2HB ASN 5 1.311 -2.635 -5.653
42 HB3 ASN 5 3HB ASN 5 1.620 -3.174 -7.300
43 HD21 ASN 5 1HD2 ASN 5 0.760 -0.587 -5.318
44 HD22 ASN 5 2HD2 ASN 5 0.382 0.559 -6.556
45 H LYS 6 H LYS 6 -1.698 -5.335 -5.320
46 HA LYS 6 HA LYS 6 0.256 -7.151 -4.537
47 HB2 LYS 6 2HB LYS 6 -1.592 -8.744 -4.201
48 HB3 LYS 6 3HB LYS 6 -1.977 -7.148 -3.569
49 HG2 LYS 6 2HG LYS 6 -3.130 -6.771 -5.844
50 HG3 LYS 6 3HG LYS 6 -3.064 -8.529 -5.988
51 HD2 LYS 6 2HD LYS 6 -4.006 -7.960 -3.392
52 HD3 LYS 6 3HD LYS 6 -4.891 -6.904 -4.496
53 HE2 LYS 6 2HE LYS 6 -6.225 -8.693 -4.764
54 HE3 LYS 6 3HE LYS 6 -4.958 -9.246 -5.858
55 HZ1 LYS 6 3HZ LYS 6 -4.352 -10.866 -4.459
56 HZ2 LYS 6 1HZ LYS 6 -5.874 -10.640 -3.755
57 HZ3 LYS 6 2HZ LYS 6 -4.512 -9.898 -3.080
58 H SER 7 H SER 7 -1.621 -6.981 -7.511
59 HA SER 7 HA SER 7 -0.386 -9.424 -8.515
60 HB2 SER 7 2HB SER 7 -1.850 -8.718 -10.590
61 HB3 SER 7 3HB SER 7 -2.610 -9.425 -9.164
62 HG SER 7 HG SER 7 -3.539 -7.574 -8.733
63 H ARG 8 H ARG 8 -0.994 -6.283 -10.077
64 HA ARG 8 HA ARG 8 1.678 -6.475 -11.293
65 HB2 ARG 8 2HB ARG 8 0.868 -5.157 -13.108
66 HB3 ARG 8 3HB ARG 8 -0.332 -6.407 -12.805
67 HG2 ARG 8 2HG ARG 8 -1.354 -4.481 -11.272
68 HG3 ARG 8 3HG ARG 8 -0.507 -3.478 -12.452
69 HD2 ARG 8 2HD ARG 8 -2.356 -5.711 -13.252
70 HD3 ARG 8 3HD ARG 8 -2.926 -4.066 -12.967
71 HE ARG 8 HE ARG 8 -0.742 -4.139 -14.800
72 HH11 ARG 8 1HH1 ARG 8 -4.176 -4.634 -14.511
73 HH12 ARG 8 2HH1 ARG 8 -4.499 -4.282 -16.176
74 HH21 ARG 8 1HH2 ARG 8 -1.154 -3.673 -16.995
75 HH22 ARG 8 2HH2 ARG 8 -2.779 -3.736 -17.588
Start of MODEL 7
1 H1 LYS 1 H LYS 1 4.040 -0.478 -0.305
2 HA LYS 1 HA LYS 1 1.123 -0.175 -0.314
3 HB2 LYS 1 2HB LYS 1 1.410 1.610 -1.854
4 HB3 LYS 1 3HB LYS 1 2.641 1.826 -0.616
5 HG2 LYS 1 2HG LYS 1 3.839 0.253 -2.590
6 HG3 LYS 1 3HG LYS 1 2.939 1.503 -3.453
7 HD2 LYS 1 2HD LYS 1 4.074 3.239 -2.269
8 HD3 LYS 1 3HD LYS 1 4.817 2.077 -1.167
9 HE2 LYS 1 2HE LYS 1 6.569 2.351 -2.581
10 HE3 LYS 1 3HE LYS 1 5.720 1.090 -3.474
11 HZ1 LYS 1 3HZ LYS 1 5.178 2.501 -5.116
12 HZ2 LYS 1 1HZ LYS 1 6.481 3.413 -4.538
13 HZ3 LYS 1 2HZ LYS 1 4.903 3.806 -4.074
14 H PHE 2 H PHE 2 2.585 -2.673 -0.986
15 HA PHE 2 HA PHE 2 1.850 -2.950 -3.819
16 HB2 PHE 2 2HB PHE 2 4.203 -3.550 -2.987
17 HB3 PHE 2 3HB PHE 2 3.447 -4.944 -2.221
18 HD1 PHE 2 HD2 PHE 2 3.637 -3.247 -5.535
19 HD2 PHE 2 HD1 PHE 2 3.326 -6.914 -3.397
20 HE1 PHE 2 HE2 PHE 2 3.800 -4.491 -7.651
21 HE2 PHE 2 HE1 PHE 2 3.490 -8.164 -5.510
22 HZ PHE 2 HZ PHE 2 3.726 -6.953 -7.641
23 H GLY 3 H GLY 3 -0.023 -2.961 -1.534
24 HA2 GLY 3 2HA GLY 3 -0.911 -5.750 -1.456
25 HA3 GLY 3 3HA GLY 3 -1.526 -4.439 -0.459
26 H LYS 4 H LYS 4 -2.066 -2.566 -2.485
27 HA LYS 4 HA LYS 4 -4.588 -3.575 -3.406
28 HB2 LYS 4 2HB LYS 4 -4.614 -1.316 -2.740
29 HB3 LYS 4 3HB LYS 4 -3.163 -0.938 -3.660
30 HG2 LYS 4 2HG LYS 4 -5.444 -1.891 -5.250
31 HG3 LYS 4 3HG LYS 4 -5.669 -0.333 -4.451
32 HD2 LYS 4 2HD LYS 4 -3.059 -0.436 -5.624
33 HD3 LYS 4 3HD LYS 4 -4.265 -0.876 -6.835
34 HE2 LYS 4 2HE LYS 4 -4.663 1.517 -5.079
35 HE3 LYS 4 3HE LYS 4 -3.643 1.617 -6.514
36 HZ1 LYS 4 3HZ LYS 4 -6.420 1.784 -6.374
37 HZ2 LYS 4 1HZ LYS 4 -6.057 0.348 -7.191
38 HZ3 LYS 4 2HZ LYS 4 -5.446 1.820 -7.757
39 H ASN 5 H ASN 5 -1.425 -3.149 -4.760
40 HA ASN 5 HA ASN 5 -2.466 -3.884 -7.417
41 HB2 ASN 5 2HB ASN 5 -0.983 -1.699 -6.856
42 HB3 ASN 5 3HB ASN 5 0.304 -2.856 -7.183
43 HD21 ASN 5 1HD2 ASN 5 0.995 -2.089 -9.100
44 HD22 ASN 5 2HD2 ASN 5 0.028 -2.028 -10.530
45 H LYS 6 H LYS 6 -1.886 -5.700 -5.194
46 HA LYS 6 HA LYS 6 0.583 -7.016 -5.596
47 HB2 LYS 6 2HB LYS 6 -0.281 -8.747 -4.197
48 HB3 LYS 6 3HB LYS 6 -0.889 -7.220 -3.569
49 HG2 LYS 6 2HG LYS 6 -3.009 -7.664 -4.848
50 HG3 LYS 6 3HG LYS 6 -2.385 -9.286 -5.158
51 HD2 LYS 6 2HD LYS 6 -2.177 -9.618 -2.707
52 HD3 LYS 6 3HD LYS 6 -2.936 -8.042 -2.464
53 HE2 LYS 6 2HE LYS 6 -4.185 -10.373 -3.915
54 HE3 LYS 6 3HE LYS 6 -4.529 -9.913 -2.249
55 HZ1 LYS 6 3HZ LYS 6 -5.275 -7.734 -3.106
56 HZ2 LYS 6 1HZ LYS 6 -6.217 -9.024 -3.664
57 HZ3 LYS 6 2HZ LYS 6 -5.075 -8.308 -4.685
58 H SER 7 H SER 7 -2.502 -7.209 -7.190
59 HA SER 7 HA SER 7 -2.277 -9.722 -8.400
60 HB2 SER 7 2HB SER 7 -3.858 -7.269 -8.860
61 HB3 SER 7 3HB SER 7 -3.658 -8.311 -10.268
62 HG SER 7 HG SER 7 -4.593 -9.985 -9.146
63 H ARG 8 H ARG 8 -1.270 -6.521 -9.569
64 HA ARG 8 HA ARG 8 -0.240 -7.412 -12.039
65 HB2 ARG 8 2HB ARG 8 -0.768 -4.996 -11.125
66 HB3 ARG 8 3HB ARG 8 0.924 -5.036 -10.650
67 HG2 ARG 8 2HG ARG 8 1.574 -4.581 -12.717
68 HG3 ARG 8 3HG ARG 8 0.639 -5.932 -13.361
69 HD2 ARG 8 2HD ARG 8 -0.472 -4.268 -14.416
70 HD3 ARG 8 3HD ARG 8 -1.353 -4.208 -12.890
71 HE ARG 8 HE ARG 8 -0.443 -2.149 -12.495
72 HH11 ARG 8 1HH1 ARG 8 1.413 -3.749 -14.968
73 HH12 ARG 8 2HH1 ARG 8 2.387 -2.360 -15.320
74 HH21 ARG 8 1HH2 ARG 8 0.833 -0.313 -12.948
75 HH22 ARG 8 2HH2 ARG 8 2.056 -0.406 -14.169
Start of MODEL 8
1 H1 LYS 1 H LYS 1 1.193 -0.443 0.643
2 HA LYS 1 HA LYS 1 0.088 0.287 -1.973
3 HB2 LYS 1 2HB LYS 1 2.362 1.242 -2.563
4 HB3 LYS 1 3HB LYS 1 1.380 2.208 -1.470
5 HG2 LYS 1 2HG LYS 1 3.033 0.406 0.030
6 HG3 LYS 1 3HG LYS 1 4.014 1.346 -1.098
7 HD2 LYS 1 2HD LYS 1 1.948 2.811 0.441
8 HD3 LYS 1 3HD LYS 1 3.356 2.233 1.335
9 HE2 LYS 1 2HE LYS 1 3.703 3.712 -1.243
10 HE3 LYS 1 3HE LYS 1 3.400 4.595 0.252
11 HZ1 LYS 1 3HZ LYS 1 5.545 4.416 0.704
12 HZ2 LYS 1 1HZ LYS 1 5.811 3.462 -0.668
13 HZ3 LYS 1 2HZ LYS 1 5.385 2.734 0.799
14 H PHE 2 H PHE 2 0.611 -2.250 -0.542
15 HA PHE 2 HA PHE 2 2.732 -3.413 -2.200
16 HB2 PHE 2 2HB PHE 2 1.936 -3.818 0.487
17 HB3 PHE 2 3HB PHE 2 1.573 -5.306 -0.382
18 HD1 PHE 2 HD2 PHE 2 4.342 -2.798 -0.364
19 HD2 PHE 2 HD1 PHE 2 3.204 -6.897 -0.233
20 HE1 PHE 2 HE2 PHE 2 6.711 -3.447 -0.232
21 HE2 PHE 2 HE1 PHE 2 5.572 -7.553 -0.100
22 HZ PHE 2 HZ PHE 2 7.329 -5.828 -0.100
23 H GLY 3 H GLY 3 -0.706 -3.475 -1.631
24 HA2 GLY 3 2HA GLY 3 -0.992 -5.625 -3.630
25 HA3 GLY 3 3HA GLY 3 -2.198 -5.215 -2.419
26 H LYS 4 H LYS 4 -0.468 -2.826 -4.310
27 HA LYS 4 HA LYS 4 -2.936 -1.684 -5.223
28 HB2 LYS 4 2HB LYS 4 -1.246 -0.118 -4.736
29 HB3 LYS 4 3HB LYS 4 -0.033 -1.016 -5.640
30 HG2 LYS 4 2HG LYS 4 -2.324 -0.066 -7.217
31 HG3 LYS 4 3HG LYS 4 -1.284 1.194 -6.548
32 HD2 LYS 4 2HD LYS 4 0.333 -0.905 -7.633
33 HD3 LYS 4 3HD LYS 4 -0.845 -0.388 -8.841
34 HE2 LYS 4 2HE LYS 4 -0.044 2.008 -7.932
35 HE3 LYS 4 3HE LYS 4 1.425 1.078 -7.641
36 HZ1 LYS 4 3HZ LYS 4 1.286 0.350 -10.001
37 HZ2 LYS 4 1HZ LYS 4 1.564 2.008 -9.806
38 HZ3 LYS 4 2HZ LYS 4 0.023 1.453 -10.228
39 H ASN 5 H ASN 5 -0.564 -3.858 -6.514
40 HA ASN 5 HA ASN 5 -1.913 -3.770 -9.131
41 HB2 ASN 5 2HB ASN 5 0.184 -4.794 -10.031
42 HB3 ASN 5 3HB ASN 5 0.412 -3.179 -9.368
43 HD21 ASN 5 1HD2 ASN 5 2.357 -3.101 -8.508
44 HD22 ASN 5 2HD2 ASN 5 3.047 -4.280 -7.450
45 H LYS 6 H LYS 6 -2.683 -5.267 -6.687
46 HA LYS 6 HA LYS 6 -2.227 -8.040 -7.500
47 HB2 LYS 6 2HB LYS 6 -2.476 -6.771 -5.006
48 HB3 LYS 6 3HB LYS 6 -3.934 -7.737 -5.190
49 HG2 LYS 6 2HG LYS 6 -2.770 -9.490 -4.508
50 HG3 LYS 6 3HG LYS 6 -1.851 -9.399 -6.012
51 HD2 LYS 6 2HD LYS 6 -0.083 -8.302 -5.021
52 HD3 LYS 6 3HD LYS 6 -1.083 -7.640 -3.726
53 HE2 LYS 6 2HE LYS 6 -0.393 -9.290 -2.410
54 HE3 LYS 6 3HE LYS 6 -1.209 -10.436 -3.472
55 HZ1 LYS 6 3HZ LYS 6 0.919 -11.222 -3.534
56 HZ2 LYS 6 1HZ LYS 6 1.626 -9.694 -3.366
57 HZ3 LYS 6 2HZ LYS 6 0.973 -10.164 -4.853
58 H SER 7 H SER 7 -3.970 -6.143 -8.978
59 HA SER 7 HA SER 7 -6.594 -7.406 -8.598
60 HB2 SER 7 2HB SER 7 -7.062 -5.488 -10.450
61 HB3 SER 7 3HB SER 7 -7.150 -5.203 -8.712
62 HG SER 7 HG SER 7 -5.710 -3.850 -10.273
63 H ARG 8 H ARG 8 -4.024 -6.908 -10.933
64 HA ARG 8 HA ARG 8 -5.435 -8.126 -13.113
65 HB2 ARG 8 2HB ARG 8 -2.560 -7.328 -12.692
66 HB3 ARG 8 3HB ARG 8 -3.101 -8.145 -14.153
67 HG2 ARG 8 2HG ARG 8 -4.418 -6.336 -14.819
68 HG3 ARG 8 3HG ARG 8 -4.395 -5.613 -13.209
69 HD2 ARG 8 2HD ARG 8 -1.834 -5.464 -13.591
70 HD3 ARG 8 3HD ARG 8 -2.248 -5.667 -15.293
71 HE ARG 8 HE ARG 8 -3.820 -3.620 -14.141
72 HH11 ARG 8 1HH1 ARG 8 -0.580 -4.298 -15.218
73 HH12 ARG 8 2HH1 ARG 8 -0.218 -2.645 -15.590
74 HH21 ARG 8 1HH2 ARG 8 -3.356 -1.440 -14.626
75 HH22 ARG 8 2HH2 ARG 8 -1.797 -1.020 -15.252
Start of MODEL 9
1 H1 LYS 1 H LYS 1 1.542 -1.767 1.429
2 HA LYS 1 HA LYS 1 -0.551 -0.349 -0.085
3 HB2 LYS 1 2HB LYS 1 0.844 1.575 -0.267
4 HB3 LYS 1 3HB LYS 1 0.819 1.122 1.432
5 HG2 LYS 1 2HG LYS 1 2.993 -0.154 0.893
6 HG3 LYS 1 3HG LYS 1 3.034 0.849 -0.559
7 HD2 LYS 1 2HD LYS 1 3.199 2.834 0.689
8 HD3 LYS 1 3HD LYS 1 2.694 2.037 2.181
9 HE2 LYS 1 2HE LYS 1 5.212 1.235 0.762
10 HE3 LYS 1 3HE LYS 1 5.188 2.608 1.867
11 HZ1 LYS 1 3HZ LYS 1 5.850 0.678 3.071
12 HZ2 LYS 1 1HZ LYS 1 4.523 -0.211 2.512
13 HZ3 LYS 1 2HZ LYS 1 4.287 1.082 3.577
14 H PHE 2 H PHE 2 0.787 -2.931 -0.595
15 HA PHE 2 HA PHE 2 2.082 -2.257 -3.155
16 HB2 PHE 2 2HB PHE 2 2.525 -4.778 -1.548
17 HB3 PHE 2 3HB PHE 2 3.412 -4.256 -2.977
18 HD1 PHE 2 HD1 PHE 2 4.500 -1.831 -2.709
19 HD2 PHE 2 HD2 PHE 2 3.532 -4.474 0.484
20 HE1 PHE 2 HE1 PHE 2 6.145 -0.696 -1.275
21 HE2 PHE 2 HE2 PHE 2 5.175 -3.343 1.923
22 HZ PHE 2 HZ PHE 2 6.484 -1.451 1.045
23 H GLY 3 H GLY 3 -0.756 -2.548 -2.706
24 HA2 GLY 3 2HA GLY 3 -1.371 -5.128 -3.962
25 HA3 GLY 3 3HA GLY 3 -2.535 -4.042 -3.218
26 H LYS 4 H LYS 4 -0.136 -2.768 -5.371
27 HA LYS 4 HA LYS 4 -2.165 -1.764 -7.132
28 HB2 LYS 4 2HB LYS 4 -0.340 -0.313 -6.802
29 HB3 LYS 4 3HB LYS 4 0.837 -1.591 -7.075
30 HG2 LYS 4 2HG LYS 4 -0.938 -1.014 -9.346
31 HG3 LYS 4 3HG LYS 4 0.173 0.283 -8.897
32 HD2 LYS 4 2HD LYS 4 1.568 -2.215 -8.860
33 HD3 LYS 4 3HD LYS 4 0.724 -2.042 -10.400
34 HE2 LYS 4 2HE LYS 4 2.926 -1.094 -10.602
35 HE3 LYS 4 3HE LYS 4 1.735 0.206 -10.649
36 HZ1 LYS 4 3HZ LYS 4 2.424 1.033 -8.676
37 HZ2 LYS 4 1HZ LYS 4 3.882 0.302 -9.127
38 HZ3 LYS 4 2HZ LYS 4 2.846 -0.477 -8.041
39 H ASN 5 H ASN 5 -0.020 -4.487 -7.094
40 HA ASN 5 HA ASN 5 -0.914 -5.204 -9.809
41 HB2 ASN 5 2HB ASN 5 1.157 -6.550 -9.997
42 HB3 ASN 5 3HB ASN 5 1.492 -4.837 -9.767
43 HD21 ASN 5 1HD2 ASN 5 2.079 -4.130 -7.621
44 HD22 ASN 5 2HD2 ASN 5 2.915 -5.217 -6.569
45 H LYS 6 H LYS 6 -2.376 -5.728 -7.402
46 HA LYS 6 HA LYS 6 -1.990 -8.576 -6.898
47 HB2 LYS 6 2HB LYS 6 -2.900 -6.424 -5.342
48 HB3 LYS 6 3HB LYS 6 -4.314 -7.434 -5.614
49 HG2 LYS 6 2HG LYS 6 -3.625 -8.736 -3.965
50 HG3 LYS 6 3HG LYS 6 -2.246 -9.200 -4.965
51 HD2 LYS 6 2HD LYS 6 -0.962 -7.320 -4.067
52 HD3 LYS 6 3HD LYS 6 -2.343 -6.847 -3.075
53 HE2 LYS 6 2HE LYS 6 -1.962 -8.463 -1.554
54 HE3 LYS 6 3HE LYS 6 -1.502 -9.646 -2.778
55 HZ1 LYS 6 3HZ LYS 6 0.464 -7.643 -2.655
56 HZ2 LYS 6 1HZ LYS 6 0.614 -9.290 -2.297
57 HZ3 LYS 6 2HZ LYS 6 0.169 -8.198 -1.084
58 H SER 7 H SER 7 -4.523 -6.372 -8.063
59 HA SER 7 HA SER 7 -6.332 -8.478 -8.733
60 HB2 SER 7 2HB SER 7 -6.241 -5.526 -9.293
61 HB3 SER 7 3HB SER 7 -7.444 -6.551 -10.074
62 HG SER 7 HG SER 7 -8.196 -7.147 -8.033
63 H ARG 8 H ARG 8 -4.355 -6.268 -10.712
64 HA ARG 8 HA ARG 8 -4.931 -7.564 -13.163
65 HB2 ARG 8 2HB ARG 8 -2.710 -5.693 -12.340
66 HB3 ARG 8 3HB ARG 8 -2.913 -6.280 -13.986
67 HG2 ARG 8 2HG ARG 8 -5.207 -5.293 -13.972
68 HG3 ARG 8 3HG ARG 8 -4.818 -4.567 -12.411
69 HD2 ARG 8 2HD ARG 8 -3.783 -2.883 -13.422
70 HD3 ARG 8 3HD ARG 8 -2.702 -4.011 -14.239
71 HE ARG 8 HE ARG 8 -5.227 -3.890 -15.533
72 HH11 ARG 8 1HH1 ARG 8 -2.236 -2.155 -15.126
73 HH12 ARG 8 2HH1 ARG 8 -2.345 -1.348 -16.656
74 HH21 ARG 8 1HH2 ARG 8 -5.382 -2.834 -17.548
75 HH22 ARG 8 2HH2 ARG 8 -4.135 -1.734 -18.032
Start of MODEL 10
1 H1 LYS 1 H LYS 1 1.998 -1.802 2.229
2 HA LYS 1 HA LYS 1 -0.231 -0.818 0.588
3 HB2 LYS 1 2HB LYS 1 1.130 1.123 -0.093
4 HB3 LYS 1 3HB LYS 1 0.766 1.139 1.627
5 HG2 LYS 1 2HG LYS 1 3.110 -0.091 1.753
6 HG3 LYS 1 3HG LYS 1 3.356 0.776 0.235
7 HD2 LYS 1 2HD LYS 1 2.220 2.322 2.490
8 HD3 LYS 1 3HD LYS 1 3.912 1.838 2.628
9 HE2 LYS 1 2HE LYS 1 4.570 3.297 1.060
10 HE3 LYS 1 3HE LYS 1 3.212 2.911 0.004
11 HZ1 LYS 1 3HZ LYS 1 1.944 4.557 0.877
12 HZ2 LYS 1 1HZ LYS 1 3.460 5.252 1.159
13 HZ3 LYS 1 2HZ LYS 1 2.646 4.462 2.414
14 H PHE 2 H PHE 2 1.100 -3.308 0.397
15 HA PHE 2 HA PHE 2 2.673 -2.973 -2.070
16 HB2 PHE 2 2HB PHE 2 2.654 -5.267 -0.098
17 HB3 PHE 2 3HB PHE 2 3.586 -5.230 -1.591
18 HD1 PHE 2 HD2 PHE 2 5.479 -3.686 -1.832
19 HD2 PHE 2 HD1 PHE 2 3.354 -4.066 1.836
20 HE1 PHE 2 HE2 PHE 2 7.330 -2.579 -0.649
21 HE2 PHE 2 HE1 PHE 2 5.202 -2.960 3.026
22 HZ PHE 2 HZ PHE 2 7.194 -2.216 1.783
23 H GLY 3 H GLY 3 -0.263 -3.002 -1.825
24 HA2 GLY 3 2HA GLY 3 -0.860 -5.494 -3.292
25 HA3 GLY 3 3HA GLY 3 -2.041 -4.573 -2.372
26 H LYS 4 H LYS 4 0.311 -3.051 -4.461
27 HA LYS 4 HA LYS 4 -1.770 -1.750 -5.946
28 HB2 LYS 4 2HB LYS 4 0.139 -0.426 -5.555
29 HB3 LYS 4 3HB LYS 4 1.236 -1.704 -6.063
30 HG2 LYS 4 2HG LYS 4 -0.642 -0.772 -8.123
31 HG3 LYS 4 3HG LYS 4 0.552 0.413 -7.588
32 HD2 LYS 4 2HD LYS 4 1.824 -2.126 -7.959
33 HD3 LYS 4 3HD LYS 4 0.907 -1.710 -9.409
34 HE2 LYS 4 2HE LYS 4 2.779 -0.570 -9.938
35 HE3 LYS 4 3HE LYS 4 2.075 0.660 -8.891
36 HZ1 LYS 4 3HZ LYS 4 4.525 -0.213 -8.561
37 HZ2 LYS 4 1HZ LYS 4 3.736 -1.388 -7.635
38 HZ3 LYS 4 2HZ LYS 4 3.563 0.249 -7.249
39 H ASN 5 H ASN 5 0.244 -4.538 -6.389
40 HA ASN 5 HA ASN 5 -0.591 -4.770 -9.193
41 HB2 ASN 5 2HB ASN 5 1.626 -6.010 -7.589
42 HB3 ASN 5 3HB ASN 5 1.091 -6.750 -9.095
43 HD21 ASN 5 1HD2 ASN 5 3.372 -4.848 -7.868
44 HD22 ASN 5 2HD2 ASN 5 3.734 -3.856 -9.236
45 H LYS 6 H LYS 6 -2.358 -5.249 -6.890
46 HA LYS 6 HA LYS 6 -2.910 -8.115 -7.297
47 HB2 LYS 6 2HB LYS 6 -3.716 -6.365 -4.966
48 HB3 LYS 6 3HB LYS 6 -4.067 -8.080 -5.136
49 HG2 LYS 6 2HG LYS 6 -1.341 -6.833 -4.854
50 HG3 LYS 6 3HG LYS 6 -2.215 -7.750 -3.625
51 HD2 LYS 6 2HD LYS 6 -2.221 -9.676 -5.281
52 HD3 LYS 6 3HD LYS 6 -1.052 -8.743 -6.217
53 HE2 LYS 6 2HE LYS 6 -0.395 -8.955 -3.376
54 HE3 LYS 6 3HE LYS 6 -0.446 -10.507 -4.210
55 HZ1 LYS 6 3HZ LYS 6 1.721 -9.063 -4.165
56 HZ2 LYS 6 1HZ LYS 6 0.991 -8.298 -5.486
57 HZ3 LYS 6 2HZ LYS 6 1.303 -9.959 -5.537
58 H SER 7 H SER 7 -3.733 -5.851 -8.993
59 HA SER 7 HA SER 7 -6.646 -5.912 -8.594
60 HB2 SER 7 2HB SER 7 -5.319 -4.100 -10.577
61 HB3 SER 7 3HB SER 7 -6.805 -3.856 -9.660
62 HG SER 7 HG SER 7 -5.515 -3.577 -7.793
63 H ARG 8 H ARG 8 -4.352 -5.832 -11.329
64 HA ARG 8 HA ARG 8 -6.250 -7.342 -12.945
65 HB2 ARG 8 2HB ARG 8 -4.254 -5.387 -13.480
66 HB3 ARG 8 3HB ARG 8 -3.798 -6.860 -14.325
67 HG2 ARG 8 2HG ARG 8 -5.323 -6.502 -15.888
68 HG3 ARG 8 3HG ARG 8 -6.599 -6.353 -14.678
69 HD2 ARG 8 2HD ARG 8 -6.531 -4.095 -14.694
70 HD3 ARG 8 3HD ARG 8 -4.782 -4.046 -14.912
71 HE ARG 8 HE ARG 8 -6.791 -3.996 -16.971
72 HH11 ARG 8 1HH1 ARG 8 -3.471 -4.723 -16.214
73 HH12 ARG 8 2HH1 ARG 8 -2.920 -4.521 -17.844
74 HH21 ARG 8 1HH2 ARG 8 -6.077 -3.728 -19.120
75 HH22 ARG 8 2HH2 ARG 8 -4.402 -3.954 -19.496