Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
589058 | 2n09 RC | 26536 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 -22.705 9.072 21.284
2 H2 HIS 1 HT2 HIS 1 -24.259 8.878 20.645
3 H3 HIS 1 HT3 HIS 1 -22.904 8.608 19.669
4 HA HIS 1 HA HIS 1 -22.297 6.842 21.428
5 HB2 HIS 1 HB2 HIS 1 -25.076 7.645 22.055
6 HB3 HIS 1 HB1 HIS 1 -24.774 5.911 22.028
7 HD1 HIS 1 HD1 HIS 1 -24.017 4.979 24.184
8 HD2 HIS 1 HD2 HIS 1 -23.072 9.010 23.831
9 HE1 HIS 1 HE1 HIS 1 -22.972 5.619 26.380
10 HE2 HIS 1 HE2 HIS 1 -22.495 8.085 26.177
11 H AIB 2 HN ALA 2 -21.659 6.197 19.307
12 HB11 AIB 2 HB11 ALA 2 -23.918 3.674 19.095
13 HB12 AIB 2 HB12 ALA 2 -22.292 3.062 18.791
14 HB13 AIB 2 HB13 ALA 2 -23.499 3.036 17.505
15 HB21 AIB 2 HB21 ALA 2 -21.391 3.979 16.549
16 HB22 AIB 2 HB22 ALA 2 -20.581 4.669 17.955
17 HB23 AIB 2 HB23 ALA 2 -21.144 5.722 16.657
18 H GLU 3 HN GLU 3 -25.232 4.693 17.922
19 HA GLU 3 HA GLU 3 -25.904 5.399 15.319
20 HB2 GLU 3 HB2 GLU 3 -27.654 5.849 17.737
21 HB3 GLU 3 HB1 GLU 3 -28.173 5.561 16.082
22 HG2 GLU 3 HG2 GLU 3 -28.116 3.364 16.355
23 HG3 GLU 3 HG1 GLU 3 -26.492 3.421 17.039
24 H GLY 4 HN GLY 4 -25.281 7.396 18.113
25 HA2 GLY 4 HA2 GLY 4 -26.271 9.792 16.783
26 HA3 GLY 4 HA1 GLY 4 -25.617 9.699 18.411
27 H THR 5 HN THR 5 -23.252 8.174 17.367
28 HA THR 5 HA THR 5 -21.090 8.679 16.855
29 HB THR 5 HB THR 5 -21.763 10.582 14.712
30 HG1 THR 5 HG1 THR 5 -23.334 9.448 13.880
31 HG21 THR 5 HG21 THR 5 -20.596 8.386 13.582
32 HG22 THR 5 HG22 THR 5 -19.969 8.320 15.229
33 HG23 THR 5 HG23 THR 5 -19.719 9.764 14.248
34 H PHE 6 HN PHE 6 -19.678 10.772 16.042
35 HA PHE 6 HA PHE 6 -19.768 12.539 18.281
36 HB2 PHE 6 HB2 PHE 6 -17.639 11.868 17.272
37 HB3 PHE 6 HB1 PHE 6 -18.093 12.654 15.763
38 HD1 PHE 6 HD2 PHE 6 -16.966 13.161 19.200
39 HD2 PHE 6 HD1 PHE 6 -18.053 15.060 15.550
40 HE1 PHE 6 HE2 PHE 6 -15.956 15.259 19.995
41 HE2 PHE 6 HE1 PHE 6 -17.044 17.161 16.338
42 HZ PHE 6 HZ PHE 6 -15.994 17.263 18.564
43 H THR 7 HN THR 7 -20.781 12.724 14.934
44 HA THR 7 HA THR 7 -21.072 15.452 14.591
45 HB THR 7 HB THR 7 -21.440 13.941 12.744
46 HG1 THR 7 HG1 THR 7 -23.501 14.834 12.019
47 HG21 THR 7 HG21 THR 7 -22.705 12.291 14.383
48 HG22 THR 7 HG22 THR 7 -23.018 12.283 12.647
49 HG23 THR 7 HG23 THR 7 -24.123 13.119 13.738
50 H SER 8 HN SER 8 -23.369 13.163 16.038
51 HA SER 8 HA SER 8 -25.175 15.335 16.732
52 HB2 SER 8 HB2 SER 8 -25.535 12.458 17.536
53 HB3 SER 8 HB1 SER 8 -26.768 13.688 17.258
54 HG SER 8 HG SER 8 -26.127 13.628 15.019
55 H ASP 9 HN ASP 9 -22.960 13.088 18.284
56 HA ASP 9 HA ASP 9 -23.671 14.059 20.932
57 HB2 ASP 9 HB2 ASP 9 -21.623 12.009 20.067
58 HB3 ASP 9 HB1 ASP 9 -22.047 12.380 21.735
59 H PHE 10 HN PHE 10 -22.186 15.674 18.768
60 HA PHE 10 HA PHE 10 -19.554 16.132 19.383
61 HB2 PHE 10 HB2 PHE 10 -19.839 18.369 18.476
62 HB3 PHE 10 HB1 PHE 10 -20.775 17.219 17.527
63 HD1 PHE 10 HD1 PHE 10 -23.251 17.090 17.868
64 HD2 PHE 10 HD2 PHE 10 -20.866 20.182 19.560
65 HE1 PHE 10 HE1 PHE 10 -25.268 18.460 18.199
66 HE2 PHE 10 HE2 PHE 10 -22.878 21.557 19.895
67 HZ PHE 10 HZ PHE 10 -25.083 20.696 19.214
68 H PHE 11 HN PHE 11 -18.740 18.274 20.419
69 HA PHE 11 HA PHE 11 -18.323 19.455 22.315
70 HB2 PHE 11 HB2 PHE 11 -20.560 20.402 21.902
71 HB3 PHE 11 HB1 PHE 11 -21.284 19.087 22.821
72 HD1 PHE 11 HD1 PHE 11 -18.808 21.845 23.161
73 HD2 PHE 11 HD2 PHE 11 -21.681 19.360 25.078
74 HE1 PHE 11 HE1 PHE 11 -18.560 23.159 25.226
75 HE2 PHE 11 HE2 PHE 11 -21.440 20.670 27.147
76 HZ PHE 11 HZ PHE 11 -19.878 22.573 27.222
77 HN1 NH2 12 H2 PHE 11 -17.802 16.327 24.104
78 HN2 NH2 12 H1 PHE 11 -17.442 17.026 22.566
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 -22.648 7.310 21.366
2 H2 HIS 1 HT2 HIS 1 -23.705 8.526 21.881
3 H3 HIS 1 HT3 HIS 1 -23.404 8.311 20.230
4 HA HIS 1 HA HIS 1 -24.614 6.200 21.903
5 HB2 HIS 1 HB2 HIS 1 -25.861 8.469 21.817
6 HB3 HIS 1 HB1 HIS 1 -26.174 8.069 20.131
7 HD1 HIS 1 HD1 HIS 1 -26.534 6.189 23.432
8 HD2 HIS 1 HD2 HIS 1 -28.600 6.926 19.903
9 HE1 HIS 1 HE1 HIS 1 -28.714 4.955 23.659
10 HE2 HIS 1 HE2 HIS 1 -29.916 5.354 21.481
11 H AIB 2 HN ALA 2 -22.656 5.689 20.083
12 HB11 AIB 2 HB11 ALA 2 -24.965 3.632 18.806
13 HB12 AIB 2 HB12 ALA 2 -23.468 2.722 19.016
14 HB13 AIB 2 HB13 ALA 2 -24.115 2.994 17.398
15 HB21 AIB 2 HB21 ALA 2 -21.175 5.160 17.764
16 HB22 AIB 2 HB22 ALA 2 -21.627 3.471 17.531
17 HB23 AIB 2 HB23 ALA 2 -21.350 4.094 19.158
18 H GLU 3 HN GLU 3 -25.491 4.812 17.154
19 HA GLU 3 HA GLU 3 -24.832 5.757 14.616
20 HB2 GLU 3 HB2 GLU 3 -27.166 5.004 15.961
21 HB3 GLU 3 HB1 GLU 3 -27.457 6.660 15.447
22 HG2 GLU 3 HG2 GLU 3 -26.706 4.326 13.705
23 HG3 GLU 3 HG1 GLU 3 -28.258 5.160 13.764
24 H GLY 4 HN GLY 4 -25.395 7.465 17.609
25 HA2 GLY 4 HA2 GLY 4 -25.808 10.045 16.539
26 HA3 GLY 4 HA1 GLY 4 -25.236 9.689 18.162
27 H THR 5 HN THR 5 -22.864 8.303 17.424
28 HA THR 5 HA THR 5 -20.650 8.820 17.189
29 HB THR 5 HB THR 5 -21.033 10.418 14.750
30 HG1 THR 5 HG1 THR 5 -22.871 9.143 14.528
31 HG21 THR 5 HG21 THR 5 -19.796 7.740 14.689
32 HG22 THR 5 HG22 THR 5 -19.040 8.909 15.772
33 HG23 THR 5 HG23 THR 5 -19.206 9.277 14.056
34 H PHE 6 HN PHE 6 -19.217 10.877 16.180
35 HA PHE 6 HA PHE 6 -19.255 12.785 18.207
36 HB2 PHE 6 HB2 PHE 6 -17.244 12.417 16.952
37 HB3 PHE 6 HB1 PHE 6 -18.034 12.863 15.444
38 HD1 PHE 6 HD1 PHE 6 -18.148 14.592 18.730
39 HD2 PHE 6 HD2 PHE 6 -16.813 14.687 14.690
40 HE1 PHE 6 HE1 PHE 6 -17.408 16.919 19.033
41 HE2 PHE 6 HE2 PHE 6 -16.070 17.014 14.986
42 HZ PHE 6 HZ PHE 6 -16.367 18.133 17.160
43 H THR 7 HN THR 7 -20.753 12.811 15.021
44 HA THR 7 HA THR 7 -21.476 15.487 14.839
45 HB THR 7 HB THR 7 -21.773 14.013 12.949
46 HG1 THR 7 HG1 THR 7 -24.374 14.823 13.765
47 HG21 THR 7 HG21 THR 7 -22.503 12.058 14.470
48 HG22 THR 7 HG22 THR 7 -23.222 12.185 12.865
49 HG23 THR 7 HG23 THR 7 -24.128 12.717 14.281
50 H SER 8 HN SER 8 -23.131 12.815 16.467
51 HA SER 8 HA SER 8 -25.294 14.548 17.322
52 HB2 SER 8 HB2 SER 8 -25.503 12.053 16.690
53 HB3 SER 8 HB1 SER 8 -24.836 11.733 18.291
54 HG SER 8 HG SER 8 -27.203 13.177 17.685
55 H ASP 9 HN ASP 9 -22.322 13.249 18.577
56 HA ASP 9 HA ASP 9 -22.764 13.501 21.320
57 HB2 ASP 9 HB2 ASP 9 -20.273 13.698 19.639
58 HB3 ASP 9 HB1 ASP 9 -20.219 13.876 21.390
59 H PHE 10 HN PHE 10 -21.987 15.897 18.892
60 HA PHE 10 HA PHE 10 -21.958 18.171 18.938
61 HB2 PHE 10 HB2 PHE 10 -23.781 17.407 21.097
62 HB3 PHE 10 HB1 PHE 10 -23.045 18.987 21.342
63 HD1 PHE 10 HD2 PHE 10 -23.010 20.459 19.090
64 HD2 PHE 10 HD1 PHE 10 -25.786 17.366 20.003
65 HE1 PHE 10 HE2 PHE 10 -24.629 21.456 17.527
66 HE2 PHE 10 HE1 PHE 10 -27.410 18.356 18.443
67 HZ PHE 10 HZ PHE 10 -26.832 20.404 17.203
68 H PHE 11 HN PHE 11 -19.744 16.629 20.052
69 HA PHE 11 HA PHE 11 -17.720 17.047 21.005
70 HB2 PHE 11 HB2 PHE 11 -18.627 19.555 20.210
71 HB3 PHE 11 HB1 PHE 11 -18.164 19.787 21.892
72 HD1 PHE 11 HD2 PHE 11 -15.829 19.031 22.589
73 HD2 PHE 11 HD1 PHE 11 -17.021 19.514 18.532
74 HE1 PHE 11 HE2 PHE 11 -13.467 19.188 21.917
75 HE2 PHE 11 HE1 PHE 11 -14.662 19.672 17.853
76 HZ PHE 11 HZ PHE 11 -12.881 19.510 19.547
77 HN1 NH2 12 H2 PHE 11 -19.553 18.401 24.419
78 HN2 NH2 12 H1 PHE 11 -19.810 19.198 22.908
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 -25.533 5.312 21.977
2 H2 HIS 1 HT2 HIS 1 -26.133 3.938 21.195
3 H3 HIS 1 HT3 HIS 1 -27.183 4.945 22.058
4 HA HIS 1 HA HIS 1 -27.308 5.214 19.611
5 HB2 HIS 1 HB2 HIS 1 -27.006 7.789 19.810
6 HB3 HIS 1 HB1 HIS 1 -28.196 6.995 20.835
7 HD1 HIS 1 HD1 HIS 1 -24.727 8.485 20.996
8 HD2 HIS 1 HD2 HIS 1 -27.791 7.287 23.535
9 HE1 HIS 1 HE1 HIS 1 -24.055 9.282 23.284
10 HE2 HIS 1 HE2 HIS 1 -25.943 8.582 24.799
11 H AIB 2 HN ALA 2 -25.302 3.961 18.934
12 HB11 AIB 2 HB11 ALA 2 -23.925 3.226 16.662
13 HB12 AIB 2 HB12 ALA 2 -23.470 2.719 18.289
14 HB13 AIB 2 HB13 ALA 2 -22.254 3.390 17.202
15 HB21 AIB 2 HB21 ALA 2 -22.750 6.033 19.578
16 HB22 AIB 2 HB22 ALA 2 -21.645 5.674 18.251
17 HB23 AIB 2 HB23 ALA 2 -22.040 4.425 19.432
18 H GLU 3 HN GLU 3 -25.668 5.210 16.615
19 HA GLU 3 HA GLU 3 -24.650 6.367 14.314
20 HB2 GLU 3 HB2 GLU 3 -27.333 6.437 15.639
21 HB3 GLU 3 HB1 GLU 3 -27.041 7.443 14.227
22 HG2 GLU 3 HG2 GLU 3 -27.736 5.649 13.092
23 HG3 GLU 3 HG1 GLU 3 -26.093 5.068 13.354
24 H GLY 4 HN GLY 4 -25.330 7.812 17.414
25 HA2 GLY 4 HA2 GLY 4 -25.340 10.524 16.570
26 HA3 GLY 4 HA1 GLY 4 -25.059 9.954 18.209
27 H THR 5 HN THR 5 -22.789 8.401 17.799
28 HA THR 5 HA THR 5 -20.533 8.681 18.011
29 HB THR 5 HB THR 5 -20.777 8.236 15.603
30 HG1 THR 5 HG1 THR 5 -18.678 8.557 16.466
31 HG21 THR 5 HG21 THR 5 -21.035 11.221 15.472
32 HG22 THR 5 HG22 THR 5 -22.027 9.985 14.702
33 HG23 THR 5 HG23 THR 5 -20.400 10.309 14.104
34 H PHE 6 HN PHE 6 -18.698 10.496 17.219
35 HA PHE 6 HA PHE 6 -18.780 12.459 19.170
36 HB2 PHE 6 HB2 PHE 6 -16.700 11.779 18.126
37 HB3 PHE 6 HB1 PHE 6 -17.233 12.409 16.572
38 HD1 PHE 6 HD1 PHE 6 -17.279 13.861 20.008
39 HD2 PHE 6 HD2 PHE 6 -15.890 14.178 15.998
40 HE1 PHE 6 HE1 PHE 6 -16.248 16.031 20.541
41 HE2 PHE 6 HE2 PHE 6 -14.857 16.349 16.523
42 HZ PHE 6 HZ PHE 6 -15.035 17.278 18.797
43 H THR 7 HN THR 7 -19.738 12.655 15.774
44 HA THR 7 HA THR 7 -20.129 15.367 15.489
45 HB THR 7 HB THR 7 -22.245 13.640 14.330
46 HG1 THR 7 HG1 THR 7 -20.898 12.255 13.472
47 HG21 THR 7 HG21 THR 7 -21.575 14.855 12.280
48 HG22 THR 7 HG22 THR 7 -20.312 15.669 13.203
49 HG23 THR 7 HG23 THR 7 -22.009 15.940 13.601
50 H SER 8 HN SER 8 -22.574 12.995 16.561
51 HA SER 8 HA SER 8 -24.411 15.092 17.298
52 HB2 SER 8 HB2 SER 8 -24.671 12.167 17.989
53 HB3 SER 8 HB1 SER 8 -25.956 13.360 17.807
54 HG SER 8 HG SER 8 -26.027 12.458 15.881
55 H ASP 9 HN ASP 9 -22.353 12.758 18.986
56 HA ASP 9 HA ASP 9 -23.174 13.168 21.592
57 HB2 ASP 9 HB2 ASP 9 -20.587 12.364 20.341
58 HB3 ASP 9 HB1 ASP 9 -20.593 12.758 22.057
59 H PHE 10 HN PHE 10 -20.413 14.800 20.023
60 HA PHE 10 HA PHE 10 -20.732 16.994 21.959
61 HB2 PHE 10 HB2 PHE 10 -18.382 15.716 20.693
62 HB3 PHE 10 HB1 PHE 10 -18.305 17.468 20.853
63 HD1 PHE 10 HD2 PHE 10 -19.814 14.923 23.106
64 HD2 PHE 10 HD1 PHE 10 -16.801 17.878 22.560
65 HE1 PHE 10 HE2 PHE 10 -19.150 14.674 25.461
66 HE2 PHE 10 HE1 PHE 10 -16.130 17.634 24.915
67 HZ PHE 10 HZ PHE 10 -17.305 16.031 26.369
68 H PHE 11 HN PHE 11 -19.507 19.053 20.824
69 HA PHE 11 HA PHE 11 -19.691 20.743 19.313
70 HB2 PHE 11 HB2 PHE 11 -19.760 18.332 17.693
71 HB3 PHE 11 HB1 PHE 11 -20.705 19.626 16.964
72 HD1 PHE 11 HD2 PHE 11 -17.576 19.790 18.970
73 HD2 PHE 11 HD1 PHE 11 -19.442 20.403 15.194
74 HE1 PHE 11 HE2 PHE 11 -15.508 20.818 18.119
75 HE2 PHE 11 HE1 PHE 11 -17.377 21.431 14.336
76 HZ PHE 11 HZ PHE 11 -15.408 21.640 15.800
77 HN1 NH2 12 H2 PHE 11 -23.580 19.775 18.458
78 HN2 NH2 12 H1 PHE 11 -22.293 18.689 18.072
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 -23.983 9.463 20.340
2 H2 HIS 1 HT2 HIS 1 -25.520 9.877 20.909
3 H3 HIS 1 HT3 HIS 1 -25.350 9.140 19.396
4 HA HIS 1 HA HIS 1 -24.397 7.775 21.818
5 HB2 HIS 1 HB2 HIS 1 -26.725 6.639 21.738
6 HB3 HIS 1 HB1 HIS 1 -26.593 8.221 22.497
7 HD1 HIS 1 HD1 HIS 1 -26.916 7.483 18.789
8 HD2 HIS 1 HD2 HIS 1 -29.011 9.307 21.878
9 HE1 HIS 1 HE1 HIS 1 -28.907 8.566 17.701
10 HE2 HIS 1 HE2 HIS 1 -30.110 9.742 19.577
11 H AIB 2 HN ALA 2 -22.871 6.760 20.495
12 HB11 AIB 2 HB11 ALA 2 -23.327 3.509 20.212
13 HB12 AIB 2 HB12 ALA 2 -23.779 3.293 18.521
14 HB13 AIB 2 HB13 ALA 2 -24.849 4.170 19.615
15 HB21 AIB 2 HB21 ALA 2 -21.367 4.071 18.733
16 HB22 AIB 2 HB22 ALA 2 -21.356 5.049 20.201
17 HB23 AIB 2 HB23 ALA 2 -21.088 5.810 18.632
18 H GLU 3 HN GLU 3 -25.327 5.027 17.768
19 HA GLU 3 HA GLU 3 -24.445 5.292 15.107
20 HB2 GLU 3 HB2 GLU 3 -26.582 4.225 15.781
21 HB3 GLU 3 HB1 GLU 3 -27.211 5.808 16.214
22 HG2 GLU 3 HG2 GLU 3 -26.503 6.333 13.705
23 HG3 GLU 3 HG1 GLU 3 -26.774 4.597 13.552
24 H GLY 4 HN GLY 4 -25.388 7.623 17.520
25 HA2 GLY 4 HA2 GLY 4 -25.936 9.820 15.854
26 HA3 GLY 4 HA1 GLY 4 -25.391 9.918 17.521
27 H THR 5 HN THR 5 -22.947 8.287 16.598
28 HA THR 5 HA THR 5 -20.818 8.684 15.896
29 HB THR 5 HB THR 5 -21.453 11.089 14.297
30 HG1 THR 5 HG1 THR 5 -22.875 10.144 12.996
31 HG21 THR 5 HG21 THR 5 -19.709 10.363 13.096
32 HG22 THR 5 HG22 THR 5 -20.386 8.742 12.948
33 HG23 THR 5 HG23 THR 5 -19.451 9.180 14.378
34 H PHE 6 HN PHE 6 -19.090 10.467 15.854
35 HA PHE 6 HA PHE 6 -19.032 11.736 18.337
36 HB2 PHE 6 HB2 PHE 6 -17.040 11.152 16.930
37 HB3 PHE 6 HB1 PHE 6 -17.424 12.528 15.902
38 HD1 PHE 6 HD1 PHE 6 -17.263 11.999 19.596
39 HD2 PHE 6 HD2 PHE 6 -15.965 14.258 16.232
40 HE1 PHE 6 HE1 PHE 6 -15.971 13.469 21.087
41 HE2 PHE 6 HE2 PHE 6 -14.670 15.732 17.716
42 HZ PHE 6 HZ PHE 6 -14.672 15.339 20.147
43 H THR 7 HN THR 7 -20.220 12.832 15.249
44 HA THR 7 HA THR 7 -20.258 15.596 15.708
45 HB THR 7 HB THR 7 -21.805 15.778 13.911
46 HG1 THR 7 HG1 THR 7 -22.349 12.993 14.185
47 HG21 THR 7 HG21 THR 7 -20.586 13.289 12.932
48 HG22 THR 7 HG22 THR 7 -19.454 14.436 13.649
49 HG23 THR 7 HG23 THR 7 -20.475 14.931 12.299
50 H SER 8 HN SER 8 -22.909 13.237 16.099
51 HA SER 8 HA SER 8 -24.585 15.133 17.439
52 HB2 SER 8 HB2 SER 8 -24.876 12.123 17.282
53 HB3 SER 8 HB1 SER 8 -26.137 13.277 17.716
54 HG SER 8 HG SER 8 -26.507 13.026 15.622
55 H ASP 9 HN ASP 9 -22.334 12.644 18.419
56 HA ASP 9 HA ASP 9 -23.110 12.337 21.088
57 HB2 ASP 9 HB2 ASP 9 -20.632 11.845 19.528
58 HB3 ASP 9 HB1 ASP 9 -20.461 11.927 21.279
59 H PHE 10 HN PHE 10 -20.415 14.325 19.845
60 HA PHE 10 HA PHE 10 -20.424 15.858 22.322
61 HB2 PHE 10 HB2 PHE 10 -18.395 15.014 20.670
62 HB3 PHE 10 HB1 PHE 10 -18.570 16.704 20.209
63 HD1 PHE 10 HD1 PHE 10 -18.338 18.475 21.949
64 HD2 PHE 10 HD2 PHE 10 -17.391 14.397 22.707
65 HE1 PHE 10 HE1 PHE 10 -17.027 19.150 23.919
66 HE2 PHE 10 HE2 PHE 10 -16.079 15.064 24.679
67 HZ PHE 10 HZ PHE 10 -15.896 17.443 25.287
68 H PHE 11 HN PHE 11 -20.510 18.173 22.338
69 HA PHE 11 HA PHE 11 -22.622 19.242 20.829
70 HB2 PHE 11 HB2 PHE 11 -20.569 20.386 22.680
71 HB3 PHE 11 HB1 PHE 11 -21.559 21.484 21.723
72 HD1 PHE 11 HD1 PHE 11 -24.159 20.220 21.703
73 HD2 PHE 11 HD2 PHE 11 -21.313 20.505 24.854
74 HE1 PHE 11 HE1 PHE 11 -25.973 20.024 23.354
75 HE2 PHE 11 HE2 PHE 11 -23.122 20.308 26.511
76 HZ PHE 11 HZ PHE 11 -25.455 20.067 25.761
77 HN1 NH2 12 H2 PHE 11 -21.339 20.641 17.941
78 HN2 NH2 12 H1 PHE 11 -22.697 20.141 18.884
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 -24.639 5.934 23.256
2 H2 HIS 1 HT2 HIS 1 -23.572 7.090 22.636
3 H3 HIS 1 HT3 HIS 1 -23.286 5.445 22.365
4 HA HIS 1 HA HIS 1 -25.468 5.373 21.158
5 HB2 HIS 1 HB2 HIS 1 -25.048 8.367 21.107
6 HB3 HIS 1 HB1 HIS 1 -26.403 7.466 20.434
7 HD1 HIS 1 HD1 HIS 1 -28.395 7.215 21.905
8 HD2 HIS 1 HD2 HIS 1 -24.990 8.263 24.043
9 HE1 HIS 1 HE1 HIS 1 -29.180 7.627 24.258
10 HE2 HIS 1 HE2 HIS 1 -27.111 8.315 25.522
11 H AIB 2 HN ALA 2 -24.043 4.258 19.830
12 HB11 AIB 2 HB11 ALA 2 -22.197 2.926 18.650
13 HB12 AIB 2 HB12 ALA 2 -22.106 3.385 16.950
14 HB13 AIB 2 HB13 ALA 2 -23.672 3.062 17.694
15 HB21 AIB 2 HB21 ALA 2 -21.061 4.993 19.478
16 HB22 AIB 2 HB22 ALA 2 -21.432 6.514 18.665
17 HB23 AIB 2 HB23 ALA 2 -20.739 5.172 17.753
18 H GLU 3 HN GLU 3 -25.176 4.841 17.348
19 HA GLU 3 HA GLU 3 -24.909 5.913 14.803
20 HB2 GLU 3 HB2 GLU 3 -26.910 4.717 15.543
21 HB3 GLU 3 HB1 GLU 3 -27.307 6.033 16.640
22 HG2 GLU 3 HG2 GLU 3 -28.646 6.065 14.583
23 HG3 GLU 3 HG1 GLU 3 -27.682 7.526 14.793
24 H GLY 4 HN GLY 4 -25.072 7.517 17.881
25 HA2 GLY 4 HA2 GLY 4 -25.830 10.088 16.960
26 HA3 GLY 4 HA1 GLY 4 -25.009 9.737 18.474
27 H THR 5 HN THR 5 -22.660 8.595 17.507
28 HA THR 5 HA THR 5 -20.550 9.233 16.927
29 HB THR 5 HB THR 5 -21.420 10.862 14.623
30 HG1 THR 5 HG1 THR 5 -23.076 9.460 14.403
31 HG21 THR 5 HG21 THR 5 -19.361 8.898 15.334
32 HG22 THR 5 HG22 THR 5 -19.289 10.263 14.219
33 HG23 THR 5 HG23 THR 5 -19.985 8.731 13.693
34 H PHE 6 HN PHE 6 -19.260 11.308 16.025
35 HA PHE 6 HA PHE 6 -19.439 13.241 18.063
36 HB2 PHE 6 HB2 PHE 6 -17.370 12.655 16.769
37 HB3 PHE 6 HB1 PHE 6 -18.034 13.547 15.404
38 HD1 PHE 6 HD2 PHE 6 -16.928 13.891 18.921
39 HD2 PHE 6 HD1 PHE 6 -17.798 15.869 15.255
40 HE1 PHE 6 HE2 PHE 6 -15.962 15.969 19.818
41 HE2 PHE 6 HE1 PHE 6 -16.833 17.950 16.144
42 HZ PHE 6 HZ PHE 6 -15.914 18.002 18.429
43 H THR 7 HN THR 7 -20.890 13.026 14.915
44 HA THR 7 HA THR 7 -21.464 15.690 14.373
45 HB THR 7 HB THR 7 -23.309 13.369 13.790
46 HG1 THR 7 HG1 THR 7 -21.396 12.763 12.905
47 HG21 THR 7 HG21 THR 7 -24.544 15.055 12.953
48 HG22 THR 7 HG22 THR 7 -23.366 15.049 11.640
49 HG23 THR 7 HG23 THR 7 -23.191 16.186 12.977
50 H SER 8 HN SER 8 -23.687 13.335 15.881
51 HA SER 8 HA SER 8 -25.409 15.451 16.811
52 HB2 SER 8 HB2 SER 8 -26.881 13.741 17.529
53 HB3 SER 8 HB1 SER 8 -26.152 13.119 16.049
54 HG SER 8 HG SER 8 -25.492 12.453 18.723
55 H ASP 9 HN ASP 9 -23.066 13.223 18.215
56 HA ASP 9 HA ASP 9 -23.563 13.770 20.920
57 HB2 ASP 9 HB2 ASP 9 -22.188 11.874 20.104
58 HB3 ASP 9 HB1 ASP 9 -20.927 13.013 19.643
59 H PHE 10 HN PHE 10 -21.917 15.595 18.481
60 HA PHE 10 HA PHE 10 -20.979 17.662 18.475
61 HB2 PHE 10 HB2 PHE 10 -22.962 18.428 19.612
62 HB3 PHE 10 HB1 PHE 10 -22.365 17.838 21.158
63 HD1 PHE 10 HD1 PHE 10 -20.957 19.980 18.440
64 HD2 PHE 10 HD2 PHE 10 -21.824 19.541 22.583
65 HE1 PHE 10 HE1 PHE 10 -19.943 22.178 18.882
66 HE2 PHE 10 HE2 PHE 10 -20.812 21.738 23.032
67 HZ PHE 10 HZ PHE 10 -19.870 23.060 21.180
68 H PHE 11 HN PHE 11 -20.715 17.137 21.973
69 HA PHE 11 HA PHE 11 -17.977 16.322 21.854
70 HB2 PHE 11 HB2 PHE 11 -18.179 18.957 21.471
71 HB3 PHE 11 HB1 PHE 11 -18.261 18.947 23.230
72 HD1 PHE 11 HD1 PHE 11 -16.414 17.341 24.335
73 HD2 PHE 11 HD2 PHE 11 -16.113 19.232 20.536
74 HE1 PHE 11 HE1 PHE 11 -13.962 17.173 24.451
75 HE2 PHE 11 HE2 PHE 11 -13.660 19.067 20.643
76 HZ PHE 11 HZ PHE 11 -12.582 18.036 22.603
77 HN1 NH2 12 H2 PHE 11 -20.182 16.904 25.262
78 HN2 NH2 12 H1 PHE 11 -20.441 17.883 23.862
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 -24.631 5.272 22.777
2 H2 HIS 1 HT2 HIS 1 -25.988 6.187 23.205
3 H3 HIS 1 HT3 HIS 1 -24.570 6.962 22.704
4 HA HIS 1 HA HIS 1 -25.998 5.085 20.935
5 HB2 HIS 1 HB2 HIS 1 -26.975 7.256 19.938
6 HB3 HIS 1 HB1 HIS 1 -27.706 6.627 21.410
7 HD1 HIS 1 HD1 HIS 1 -24.938 9.115 20.571
8 HD2 HIS 1 HD2 HIS 1 -28.087 8.578 23.229
9 HE1 HIS 1 HE1 HIS 1 -24.972 11.184 22.000
10 HE2 HIS 1 HE2 HIS 1 -26.832 10.800 23.654
11 H AIB 2 HN ALA 2 -23.819 4.569 20.279
12 HB11 AIB 2 HB11 ALA 2 -22.312 3.683 18.180
13 HB12 AIB 2 HB12 ALA 2 -21.638 3.921 19.792
14 HB13 AIB 2 HB13 ALA 2 -20.809 4.581 18.383
15 HB21 AIB 2 HB21 ALA 2 -22.203 7.487 19.993
16 HB22 AIB 2 HB22 ALA 2 -21.046 7.137 18.708
17 HB23 AIB 2 HB23 ALA 2 -20.962 6.258 20.235
18 H GLU 3 HN GLU 3 -24.817 5.135 17.903
19 HA GLU 3 HA GLU 3 -24.349 5.575 15.208
20 HB2 GLU 3 HB2 GLU 3 -26.517 4.823 16.747
21 HB3 GLU 3 HB1 GLU 3 -27.047 6.341 16.036
22 HG2 GLU 3 HG2 GLU 3 -26.479 5.453 13.805
23 HG3 GLU 3 HG1 GLU 3 -26.061 3.913 14.556
24 H GLY 4 HN GLY 4 -24.984 7.867 17.755
25 HA2 GLY 4 HA2 GLY 4 -25.744 10.064 16.135
26 HA3 GLY 4 HA1 GLY 4 -25.109 10.161 17.771
27 H THR 5 HN THR 5 -22.646 8.700 16.958
28 HA THR 5 HA THR 5 -20.512 9.233 16.374
29 HB THR 5 HB THR 5 -20.112 9.985 14.170
30 HG1 THR 5 HG1 THR 5 -21.283 11.502 13.247
31 HG21 THR 5 HG21 THR 5 -21.728 7.898 14.610
32 HG22 THR 5 HG22 THR 5 -21.246 8.403 12.991
33 HG23 THR 5 HG23 THR 5 -22.813 8.889 13.636
34 H PHE 6 HN PHE 6 -19.207 11.351 15.401
35 HA PHE 6 HA PHE 6 -19.072 13.138 17.527
36 HB2 PHE 6 HB2 PHE 6 -17.209 12.831 16.001
37 HB3 PHE 6 HB1 PHE 6 -18.150 13.488 14.667
38 HD1 PHE 6 HD2 PHE 6 -17.847 14.757 18.145
39 HD2 PHE 6 HD1 PHE 6 -16.969 15.382 14.027
40 HE1 PHE 6 HE2 PHE 6 -17.011 17.011 18.668
41 HE2 PHE 6 HE1 PHE 6 -16.132 17.637 14.544
42 HZ PHE 6 HZ PHE 6 -16.153 18.454 16.866
43 H THR 7 HN THR 7 -20.936 13.288 14.558
44 HA THR 7 HA THR 7 -21.668 15.980 14.595
45 HB THR 7 HB THR 7 -23.742 14.046 13.733
46 HG1 THR 7 HG1 THR 7 -21.112 14.135 12.663
47 HG21 THR 7 HG21 THR 7 -22.526 15.989 11.878
48 HG22 THR 7 HG22 THR 7 -23.310 16.679 13.299
49 HG23 THR 7 HG23 THR 7 -24.224 15.642 12.205
50 H SER 8 HN SER 8 -23.588 13.212 15.784
51 HA SER 8 HA SER 8 -25.420 14.938 17.162
52 HB2 SER 8 HB2 SER 8 -25.538 12.348 16.222
53 HB3 SER 8 HB1 SER 8 -25.441 12.120 17.968
54 HG SER 8 HG SER 8 -27.180 13.777 18.026
55 H ASP 9 HN ASP 9 -22.546 13.147 17.987
56 HA ASP 9 HA ASP 9 -22.842 13.045 20.773
57 HB2 ASP 9 HB2 ASP 9 -20.470 13.019 18.935
58 HB3 ASP 9 HB1 ASP 9 -20.236 13.076 20.680
59 H PHE 10 HN PHE 10 -21.974 15.647 18.644
60 HA PHE 10 HA PHE 10 -21.612 17.862 18.989
61 HB2 PHE 10 HB2 PHE 10 -22.981 17.066 21.530
62 HB3 PHE 10 HB1 PHE 10 -22.283 18.677 21.401
63 HD1 PHE 10 HD2 PHE 10 -24.006 16.618 18.828
64 HD2 PHE 10 HD1 PHE 10 -24.087 20.116 21.251
65 HE1 PHE 10 HE2 PHE 10 -26.019 17.389 17.641
66 HE2 PHE 10 HE1 PHE 10 -26.101 20.893 20.069
67 HZ PHE 10 HZ PHE 10 -27.068 19.529 18.261
68 H PHE 11 HN PHE 11 -20.936 16.828 22.314
69 HA PHE 11 HA PHE 11 -18.073 17.083 21.876
70 HB2 PHE 11 HB2 PHE 11 -17.775 18.727 23.668
71 HB3 PHE 11 HB1 PHE 11 -18.776 19.383 22.377
72 HD1 PHE 11 HD1 PHE 11 -21.136 19.809 22.725
73 HD2 PHE 11 HD2 PHE 11 -18.695 18.253 25.845
74 HE1 PHE 11 HE1 PHE 11 -22.883 20.367 24.365
75 HE2 PHE 11 HE2 PHE 11 -20.438 18.808 27.491
76 HZ PHE 11 HZ PHE 11 -22.536 19.866 26.751
77 HN1 NH2 12 H2 PHE 11 -17.561 15.434 25.031
78 HN2 NH2 12 H1 PHE 11 -16.907 16.692 24.044
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 -24.330 9.797 21.538
2 H2 HIS 1 HT2 HIS 1 -23.724 9.228 20.065
3 H3 HIS 1 HT3 HIS 1 -23.126 8.607 21.520
4 HA HIS 1 HA HIS 1 -25.122 7.498 22.011
5 HB2 HIS 1 HB2 HIS 1 -26.157 9.520 20.190
6 HB3 HIS 1 HB1 HIS 1 -26.810 7.926 19.828
7 HD1 HIS 1 HD1 HIS 1 -27.199 10.753 22.090
8 HD2 HIS 1 HD2 HIS 1 -28.142 6.707 22.125
9 HE1 HIS 1 HE1 HIS 1 -28.907 10.477 23.915
10 HE2 HIS 1 HE2 HIS 1 -29.532 8.037 23.854
11 H AIB 2 HN ALA 2 -22.795 6.733 20.818
12 HB11 AIB 2 HB11 ALA 2 -23.302 3.551 20.550
13 HB12 AIB 2 HB12 ALA 2 -23.460 3.243 18.820
14 HB13 AIB 2 HB13 ALA 2 -24.699 4.168 19.668
15 HB21 AIB 2 HB21 ALA 2 -20.866 5.905 19.470
16 HB22 AIB 2 HB22 ALA 2 -21.043 4.224 18.969
17 HB23 AIB 2 HB23 ALA 2 -21.324 4.678 20.650
18 H GLU 3 HN GLU 3 -24.905 4.887 17.783
19 HA GLU 3 HA GLU 3 -23.657 5.243 15.270
20 HB2 GLU 3 HB2 GLU 3 -25.968 5.294 14.377
21 HB3 GLU 3 HB1 GLU 3 -25.682 3.935 15.455
22 HG2 GLU 3 HG2 GLU 3 -26.636 5.726 17.214
23 HG3 GLU 3 HG1 GLU 3 -27.474 6.250 15.753
24 H GLY 4 HN GLY 4 -25.023 7.446 17.563
25 HA2 GLY 4 HA2 GLY 4 -25.725 9.601 15.950
26 HA3 GLY 4 HA1 GLY 4 -25.131 9.735 17.598
27 H THR 5 HN THR 5 -22.569 8.406 16.790
28 HA THR 5 HA THR 5 -20.461 9.076 16.250
29 HB THR 5 HB THR 5 -20.079 9.871 14.058
30 HG1 THR 5 HG1 THR 5 -21.775 10.904 12.858
31 HG21 THR 5 HG21 THR 5 -22.660 8.662 13.356
32 HG22 THR 5 HG22 THR 5 -21.701 7.723 14.501
33 HG23 THR 5 HG23 THR 5 -21.022 8.163 12.933
34 H PHE 6 HN PHE 6 -19.342 11.318 15.216
35 HA PHE 6 HA PHE 6 -19.166 13.054 17.355
36 HB2 PHE 6 HB2 PHE 6 -17.477 12.965 15.605
37 HB3 PHE 6 HB1 PHE 6 -18.619 13.616 14.434
38 HD1 PHE 6 HD1 PHE 6 -17.887 14.669 17.927
39 HD2 PHE 6 HD2 PHE 6 -17.782 15.669 13.792
40 HE1 PHE 6 HE1 PHE 6 -17.168 16.951 18.501
41 HE2 PHE 6 HE2 PHE 6 -17.062 17.953 14.358
42 HZ PHE 6 HZ PHE 6 -16.754 18.596 16.715
43 H THR 7 HN THR 7 -21.381 13.128 14.634
44 HA THR 7 HA THR 7 -22.333 15.722 14.780
45 HB THR 7 HB THR 7 -24.621 14.439 14.161
46 HG1 THR 7 HG1 THR 7 -24.188 12.357 14.167
47 HG21 THR 7 HG21 THR 7 -23.260 14.183 11.801
48 HG22 THR 7 HG22 THR 7 -22.270 15.355 12.672
49 HG23 THR 7 HG23 THR 7 -23.982 15.678 12.398
50 H SER 8 HN SER 8 -24.274 13.024 16.043
51 HA SER 8 HA SER 8 -25.773 14.643 17.784
52 HB2 SER 8 HB2 SER 8 -26.774 12.603 17.161
53 HB3 SER 8 HB1 SER 8 -25.344 11.669 17.598
54 HG SER 8 HG SER 8 -26.673 11.359 19.279
55 H ASP 9 HN ASP 9 -22.731 12.996 18.177
56 HA ASP 9 HA ASP 9 -22.585 12.859 20.961
57 HB2 ASP 9 HB2 ASP 9 -20.570 12.989 18.760
58 HB3 ASP 9 HB1 ASP 9 -20.015 13.197 20.418
59 H PHE 10 HN PHE 10 -22.190 15.553 18.787
60 HA PHE 10 HA PHE 10 -22.000 17.789 19.147
61 HB2 PHE 10 HB2 PHE 10 -23.136 16.771 21.652
62 HB3 PHE 10 HB1 PHE 10 -22.244 18.277 21.846
63 HD1 PHE 10 HD1 PHE 10 -24.323 17.077 19.005
64 HD2 PHE 10 HD2 PHE 10 -23.844 19.920 22.135
65 HE1 PHE 10 HE1 PHE 10 -26.264 18.330 18.159
66 HE2 PHE 10 HE2 PHE 10 -25.785 21.178 21.295
67 HZ PHE 10 HZ PHE 10 -26.997 20.383 19.305
68 H PHE 11 HN PHE 11 -20.720 16.684 22.271
69 HA PHE 11 HA PHE 11 -17.993 16.896 21.535
70 HB2 PHE 11 HB2 PHE 11 -17.541 18.920 23.045
71 HB3 PHE 11 HB1 PHE 11 -18.221 19.239 21.453
72 HD1 PHE 11 HD1 PHE 11 -19.443 18.486 24.902
73 HD2 PHE 11 HD2 PHE 11 -19.896 20.793 21.355
74 HE1 PHE 11 HE1 PHE 11 -21.295 19.723 25.948
75 HE2 PHE 11 HE2 PHE 11 -21.749 22.035 22.395
76 HZ PHE 11 HZ PHE 11 -22.450 21.500 24.694
77 HN1 NH2 12 H2 PHE 11 -17.171 16.093 24.941
78 HN2 NH2 12 H1 PHE 11 -16.585 16.989 23.584
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 -26.698 2.837 20.853
2 H2 HIS 1 HT2 HIS 1 -27.410 3.857 21.999
3 H3 HIS 1 HT3 HIS 1 -25.753 3.971 21.681
4 HA HIS 1 HA HIS 1 -27.717 4.405 19.535
5 HB2 HIS 1 HB2 HIS 1 -26.988 6.210 21.805
6 HB3 HIS 1 HB1 HIS 1 -27.255 6.921 20.217
7 HD1 HIS 1 HD1 HIS 1 -29.689 6.330 19.140
8 HD2 HIS 1 HD2 HIS 1 -29.258 5.788 23.237
9 HE1 HIS 1 HE1 HIS 1 -32.029 6.240 20.056
10 HE2 HIS 1 HE2 HIS 1 -31.742 5.994 22.547
11 H AIB 2 HN ALA 2 -25.804 3.303 18.510
12 HB11 AIB 2 HB11 ALA 2 -24.592 2.986 16.111
13 HB12 AIB 2 HB12 ALA 2 -23.987 2.170 17.553
14 HB13 AIB 2 HB13 ALA 2 -22.874 3.046 16.503
15 HB21 AIB 2 HB21 ALA 2 -22.859 5.535 18.940
16 HB22 AIB 2 HB22 ALA 2 -21.989 4.300 18.031
17 HB23 AIB 2 HB23 ALA 2 -22.930 3.849 19.452
18 H GLU 3 HN GLU 3 -26.214 5.016 16.520
19 HA GLU 3 HA GLU 3 -25.364 6.535 14.417
20 HB2 GLU 3 HB2 GLU 3 -27.826 6.136 15.815
21 HB3 GLU 3 HB1 GLU 3 -27.664 7.848 15.448
22 HG2 GLU 3 HG2 GLU 3 -27.461 5.604 13.453
23 HG3 GLU 3 HG1 GLU 3 -28.866 6.638 13.701
24 H GLY 4 HN GLY 4 -25.449 7.445 17.782
25 HA2 GLY 4 HA2 GLY 4 -25.355 10.213 17.621
26 HA3 GLY 4 HA1 GLY 4 -24.579 9.264 18.879
27 H THR 5 HN THR 5 -22.546 8.018 17.788
28 HA THR 5 HA THR 5 -20.337 8.368 17.303
29 HB THR 5 HB THR 5 -20.889 10.011 14.929
30 HG1 THR 5 HG1 THR 5 -21.969 8.162 13.915
31 HG21 THR 5 HG21 THR 5 -19.899 7.233 14.740
32 HG22 THR 5 HG22 THR 5 -18.912 8.346 15.686
33 HG23 THR 5 HG23 THR 5 -19.281 8.710 14.001
34 H PHE 6 HN PHE 6 -18.893 10.318 16.092
35 HA PHE 6 HA PHE 6 -18.535 12.216 18.116
36 HB2 PHE 6 HB2 PHE 6 -16.853 11.465 16.358
37 HB3 PHE 6 HB1 PHE 6 -17.655 12.576 15.252
38 HD1 PHE 6 HD2 PHE 6 -17.943 15.029 16.205
39 HD2 PHE 6 HD1 PHE 6 -15.029 12.221 17.521
40 HE1 PHE 6 HE2 PHE 6 -16.553 16.874 17.051
41 HE2 PHE 6 HE1 PHE 6 -13.633 14.061 18.369
42 HZ PHE 6 HZ PHE 6 -14.394 16.392 18.134
43 H THR 7 HN THR 7 -20.442 12.287 15.182
44 HA THR 7 HA THR 7 -20.925 15.010 14.929
45 HB THR 7 HB THR 7 -21.676 13.485 13.217
46 HG1 THR 7 HG1 THR 7 -24.012 14.596 14.401
47 HG21 THR 7 HG21 THR 7 -22.240 11.589 14.693
48 HG22 THR 7 HG22 THR 7 -23.532 11.948 13.547
49 HG23 THR 7 HG23 THR 7 -23.680 12.456 15.229
50 H SER 8 HN SER 8 -22.372 12.644 17.084
51 HA SER 8 HA SER 8 -24.368 14.470 18.077
52 HB2 SER 8 HB2 SER 8 -24.945 12.141 18.091
53 HB3 SER 8 HB1 SER 8 -23.476 11.723 18.974
54 HG SER 8 HG SER 8 -25.456 13.449 20.028
55 H ASP 9 HN ASP 9 -21.215 13.281 19.076
56 HA ASP 9 HA ASP 9 -21.186 14.304 21.687
57 HB2 ASP 9 HB2 ASP 9 -19.157 13.381 19.735
58 HB3 ASP 9 HB1 ASP 9 -18.572 14.435 21.019
59 H PHE 10 HN PHE 10 -20.939 15.879 18.633
60 HA PHE 10 HA PHE 10 -19.430 18.111 19.072
61 HB2 PHE 10 HB2 PHE 10 -21.885 17.580 17.475
62 HB3 PHE 10 HB1 PHE 10 -21.395 19.258 17.678
63 HD1 PHE 10 HD2 PHE 10 -18.509 19.150 17.577
64 HD2 PHE 10 HD1 PHE 10 -21.379 16.967 15.318
65 HE1 PHE 10 HE2 PHE 10 -16.875 18.893 15.756
66 HE2 PHE 10 HE1 PHE 10 -19.750 16.705 13.493
67 HZ PHE 10 HZ PHE 10 -17.494 17.670 13.710
68 H PHE 11 HN PHE 11 -19.467 19.767 20.445
69 HA PHE 11 HA PHE 11 -21.774 21.116 21.302
70 HB2 PHE 11 HB2 PHE 11 -21.695 18.779 22.606
71 HB3 PHE 11 HB1 PHE 11 -20.636 19.708 23.662
72 HD1 PHE 11 HD2 PHE 11 -23.695 20.702 21.788
73 HD2 PHE 11 HD1 PHE 11 -21.831 20.173 25.576
74 HE1 PHE 11 HE2 PHE 11 -25.665 21.683 22.889
75 HE2 PHE 11 HE1 PHE 11 -23.797 21.153 26.685
76 HZ PHE 11 HZ PHE 11 -25.717 21.910 25.341
77 HN1 NH2 12 H2 PHE 11 -19.599 23.126 23.403
78 HN2 NH2 12 H1 PHE 11 -21.176 22.422 23.436
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 -24.138 9.268 19.920
2 H2 HIS 1 HT2 HIS 1 -22.536 8.984 20.380
3 H3 HIS 1 HT3 HIS 1 -23.577 9.822 21.416
4 HA HIS 1 HA HIS 1 -23.199 7.513 22.113
5 HB2 HIS 1 HB2 HIS 1 -25.876 7.041 21.870
6 HB3 HIS 1 HB1 HIS 1 -25.164 8.114 23.068
7 HD1 HIS 1 HD1 HIS 1 -26.398 8.446 19.473
8 HD2 HIS 1 HD2 HIS 1 -26.364 10.527 23.069
9 HE1 HIS 1 HE1 HIS 1 -27.689 10.559 19.038
10 HE2 HIS 1 HE2 HIS 1 -27.730 11.761 21.252
11 H AIB 2 HN ALA 2 -21.974 6.611 20.231
12 HB11 AIB 2 HB11 ALA 2 -23.597 3.213 18.617
13 HB12 AIB 2 HB12 ALA 2 -24.210 4.114 20.003
14 HB13 AIB 2 HB13 ALA 2 -22.623 3.350 20.080
15 HB21 AIB 2 HB21 ALA 2 -20.846 4.174 19.396
16 HB22 AIB 2 HB22 ALA 2 -20.666 5.746 18.617
17 HB23 AIB 2 HB23 ALA 2 -21.135 4.338 17.664
18 H GLU 3 HN GLU 3 -25.164 4.982 18.299
19 HA GLU 3 HA GLU 3 -25.000 5.271 15.494
20 HB2 GLU 3 HB2 GLU 3 -26.895 4.201 16.709
21 HB3 GLU 3 HB1 GLU 3 -27.388 5.791 17.274
22 HG2 GLU 3 HG2 GLU 3 -27.052 5.537 14.366
23 HG3 GLU 3 HG1 GLU 3 -28.361 4.587 15.068
24 H GLY 4 HN GLY 4 -25.252 7.558 18.110
25 HA2 GLY 4 HA2 GLY 4 -26.168 9.783 16.623
26 HA3 GLY 4 HA1 GLY 4 -25.309 9.853 18.154
27 H THR 5 HN THR 5 -23.032 8.316 16.937
28 HA THR 5 HA THR 5 -20.994 8.810 16.052
29 HB THR 5 HB THR 5 -20.909 9.628 13.838
30 HG1 THR 5 HG1 THR 5 -22.015 11.357 13.356
31 HG21 THR 5 HG21 THR 5 -22.581 7.605 14.489
32 HG22 THR 5 HG22 THR 5 -22.221 8.086 12.831
33 HG23 THR 5 HG23 THR 5 -23.688 8.667 13.618
34 H PHE 6 HN PHE 6 -19.592 10.763 15.208
35 HA PHE 6 HA PHE 6 -19.285 12.555 17.305
36 HB2 PHE 6 HB2 PHE 6 -17.490 12.060 15.728
37 HB3 PHE 6 HB1 PHE 6 -18.385 12.845 14.431
38 HD1 PHE 6 HD1 PHE 6 -17.837 13.958 17.936
39 HD2 PHE 6 HD2 PHE 6 -17.077 14.649 13.806
40 HE1 PHE 6 HE1 PHE 6 -16.764 16.101 18.496
41 HE2 PHE 6 HE2 PHE 6 -16.001 16.792 14.359
42 HZ PHE 6 HZ PHE 6 -15.844 17.520 16.706
43 H THR 7 HN THR 7 -21.121 12.880 14.322
44 HA THR 7 HA THR 7 -21.638 15.618 14.388
45 HB THR 7 HB THR 7 -23.594 13.518 13.445
46 HG1 THR 7 HG1 THR 7 -21.456 14.727 11.994
47 HG21 THR 7 HG21 THR 7 -23.386 16.437 13.219
48 HG22 THR 7 HG22 THR 7 -24.790 15.384 13.047
49 HG23 THR 7 HG23 THR 7 -23.683 15.607 11.692
50 H SER 8 HN SER 8 -23.816 13.018 15.515
51 HA SER 8 HA SER 8 -25.510 14.861 16.896
52 HB2 SER 8 HB2 SER 8 -25.498 11.913 17.460
53 HB3 SER 8 HB1 SER 8 -26.861 13.030 17.401
54 HG SER 8 HG SER 8 -25.430 11.858 15.276
55 H ASP 9 HN ASP 9 -22.738 12.935 17.752
56 HA ASP 9 HA ASP 9 -23.034 12.805 20.520
57 HB2 ASP 9 HB2 ASP 9 -20.735 12.692 18.639
58 HB3 ASP 9 HB1 ASP 9 -20.366 12.989 20.334
59 H PHE 10 HN PHE 10 -20.621 14.956 19.057
60 HA PHE 10 HA PHE 10 -19.949 17.068 19.568
61 HB2 PHE 10 HB2 PHE 10 -22.879 17.138 20.011
62 HB3 PHE 10 HB1 PHE 10 -21.954 18.448 20.736
63 HD1 PHE 10 HD1 PHE 10 -21.337 16.670 17.534
64 HD2 PHE 10 HD2 PHE 10 -22.500 20.295 19.438
65 HE1 PHE 10 HE1 PHE 10 -21.278 17.825 15.362
66 HE2 PHE 10 HE2 PHE 10 -22.443 21.456 17.269
67 HZ PHE 10 HZ PHE 10 -21.832 20.221 15.228
68 H PHE 11 HN PHE 11 -19.076 18.262 21.280
69 HA PHE 11 HA PHE 11 -19.316 16.945 23.902
70 HB2 PHE 11 HB2 PHE 11 -17.031 18.680 22.959
71 HB3 PHE 11 HB1 PHE 11 -17.071 17.633 24.374
72 HD1 PHE 11 HD2 PHE 11 -18.226 15.174 23.235
73 HD2 PHE 11 HD1 PHE 11 -15.300 17.837 21.665
74 HE1 PHE 11 HE2 PHE 11 -17.275 13.337 21.903
75 HE2 PHE 11 HE1 PHE 11 -14.345 16.005 20.330
76 HZ PHE 11 HZ PHE 11 -15.332 13.751 20.448
77 HN1 NH2 12 H2 PHE 11 -19.637 19.971 25.750
78 HN2 NH2 12 H1 PHE 11 -18.931 18.394 25.786
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 -25.232 4.815 22.391
2 H2 HIS 1 HT2 HIS 1 -25.090 3.218 21.854
3 H3 HIS 1 HT3 HIS 1 -26.538 3.750 22.548
4 HA HIS 1 HA HIS 1 -26.653 3.564 20.113
5 HB2 HIS 1 HB2 HIS 1 -27.273 6.190 19.947
6 HB3 HIS 1 HB1 HIS 1 -28.293 5.005 20.752
7 HD1 HIS 1 HD1 HIS 1 -28.330 5.046 23.353
8 HD2 HIS 1 HD2 HIS 1 -26.059 8.061 21.616
9 HE1 HIS 1 HE1 HIS 1 -27.885 6.697 25.196
10 HE2 HIS 1 HE2 HIS 1 -26.590 8.559 24.098
11 H AIB 2 HN ALA 2 -24.755 3.160 18.988
12 HB11 AIB 2 HB11 ALA 2 -22.138 2.743 18.033
13 HB12 AIB 2 HB12 ALA 2 -22.297 3.572 16.484
14 HB13 AIB 2 HB13 ALA 2 -23.635 2.609 17.111
15 HB21 AIB 2 HB21 ALA 2 -22.510 6.086 19.215
16 HB22 AIB 2 HB22 ALA 2 -21.341 5.123 18.312
17 HB23 AIB 2 HB23 ALA 2 -22.068 4.477 19.783
18 H GLU 3 HN GLU 3 -25.730 4.802 17.198
19 HA GLU 3 HA GLU 3 -25.358 6.141 14.820
20 HB2 GLU 3 HB2 GLU 3 -27.680 6.857 14.996
21 HB3 GLU 3 HB1 GLU 3 -27.508 5.193 15.535
22 HG2 GLU 3 HG2 GLU 3 -27.205 6.964 17.763
23 HG3 GLU 3 HG1 GLU 3 -28.693 7.339 16.895
24 H GLY 4 HN GLY 4 -25.156 7.385 18.055
25 HA2 GLY 4 HA2 GLY 4 -25.592 10.108 17.602
26 HA3 GLY 4 HA1 GLY 4 -24.563 9.448 18.864
27 H THR 5 HN THR 5 -22.513 8.317 17.542
28 HA THR 5 HA THR 5 -20.468 8.841 16.684
29 HB THR 5 HB THR 5 -21.012 10.498 14.492
30 HG1 THR 5 HG1 THR 5 -23.196 10.272 14.587
31 HG21 THR 5 HG21 THR 5 -21.084 7.490 14.430
32 HG22 THR 5 HG22 THR 5 -19.595 8.393 14.709
33 HG23 THR 5 HG23 THR 5 -20.481 8.596 13.197
34 H PHE 6 HN PHE 6 -19.307 10.941 15.497
35 HA PHE 6 HA PHE 6 -19.007 12.797 17.617
36 HB2 PHE 6 HB2 PHE 6 -17.163 12.215 16.100
37 HB3 PHE 6 HB1 PHE 6 -18.025 12.964 14.760
38 HD1 PHE 6 HD1 PHE 6 -17.093 13.933 18.246
39 HD2 PHE 6 HD2 PHE 6 -17.182 14.989 14.125
40 HE1 PHE 6 HE1 PHE 6 -16.038 16.090 18.780
41 HE2 PHE 6 HE2 PHE 6 -16.126 17.147 14.651
42 HZ PHE 6 HZ PHE 6 -15.552 17.701 16.981
43 H THR 7 HN THR 7 -20.865 12.792 14.659
44 HA THR 7 HA THR 7 -21.414 15.509 14.390
45 HB THR 7 HB THR 7 -22.052 13.966 12.648
46 HG1 THR 7 HG1 THR 7 -24.437 15.038 13.781
47 HG21 THR 7 HG21 THR 7 -24.371 12.899 14.165
48 HG22 THR 7 HG22 THR 7 -22.781 12.230 14.531
49 HG23 THR 7 HG23 THR 7 -23.414 12.151 12.887
50 H SER 8 HN SER 8 -23.054 13.045 16.337
51 HA SER 8 HA SER 8 -25.012 14.910 17.331
52 HB2 SER 8 HB2 SER 8 -25.487 12.476 17.030
53 HB3 SER 8 HB1 SER 8 -24.362 12.132 18.344
54 HG SER 8 HG SER 8 -25.881 12.613 19.699
55 H ASP 9 HN ASP 9 -21.907 13.695 18.333
56 HA ASP 9 HA ASP 9 -21.991 14.268 21.062
57 HB2 ASP 9 HB2 ASP 9 -20.076 13.359 19.256
58 HB3 ASP 9 HB1 ASP 9 -19.396 14.857 19.883
59 H PHE 10 HN PHE 10 -20.196 16.257 18.719
60 HA PHE 10 HA PHE 10 -19.907 18.502 18.521
61 HB2 PHE 10 HB2 PHE 10 -22.380 18.566 18.413
62 HB3 PHE 10 HB1 PHE 10 -22.438 18.718 20.166
63 HD1 PHE 10 HD1 PHE 10 -20.847 20.375 17.226
64 HD2 PHE 10 HD2 PHE 10 -22.653 20.821 21.054
65 HE1 PHE 10 HE1 PHE 10 -20.684 22.820 17.013
66 HE2 PHE 10 HE2 PHE 10 -22.494 23.268 20.848
67 HZ PHE 10 HZ PHE 10 -21.508 24.270 18.825
68 H PHE 11 HN PHE 11 -21.363 18.318 21.770
69 HA PHE 11 HA PHE 11 -19.600 20.124 22.959
70 HB2 PHE 11 HB2 PHE 11 -21.810 19.306 23.883
71 HB3 PHE 11 HB1 PHE 11 -20.970 17.846 24.394
72 HD1 PHE 11 HD2 PHE 11 -20.561 21.549 24.635
73 HD2 PHE 11 HD1 PHE 11 -20.240 17.768 26.561
74 HE1 PHE 11 HE2 PHE 11 -19.887 22.671 26.718
75 HE2 PHE 11 HE1 PHE 11 -19.567 18.883 28.648
76 HZ PHE 11 HZ PHE 11 -19.389 21.338 28.728
77 HN1 NH2 12 H2 PHE 11 -17.811 16.457 23.252
78 HN2 NH2 12 H1 PHE 11 -19.440 16.614 22.699