Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3780 | 1e74 RC | 4845 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 6.107 1.366 3.728
2 H2 GLY 1 H2 GLY 1 6.591 1.022 2.203
3 H3 GLY 1 H3 GLY 1 7.215 0.166 3.476
4 1HA GLY 1 2HA GLY 1 8.812 1.765 2.669
5 2HA GLY 1 1HA GLY 1 8.286 2.126 4.325
6 H CYS 2 H CYS 2 9.248 4.237 3.394
7 HA CYS 2 HA CYS 2 7.044 5.980 3.501
8 1HB CYS 2 2HB CYS 2 8.589 7.703 3.706
9 2HB CYS 2 1HB CYS 2 9.321 6.324 4.514
10 H CYS 3 H CYS 3 8.269 4.584 0.630
11 HA CYS 3 HA CYS 3 8.079 6.642 -1.265
12 1HB CYS 3 1HB CYS 3 7.311 3.704 -1.358
13 2HB CYS 3 2HB CYS 3 7.183 4.737 -2.759
14 H SER 4 H SER 4 5.491 5.173 0.608
15 HA SER 4 HA SER 4 3.295 6.073 -1.073
16 1HB SER 4 1HB SER 4 3.707 4.574 1.469
17 2HB SER 4 2HB SER 4 2.293 5.631 1.484
18 HG SER 4 HG SER 4 1.755 3.611 0.671
19 H ASP 5 H ASP 5 5.510 7.938 0.633
20 HA ASP 5 HA ASP 5 3.537 10.110 1.047
21 1HB ASP 5 1HB ASP 5 4.541 9.624 3.183
22 2HB ASP 5 2HB ASP 5 6.152 9.517 2.478
23 HA PRO 6 HA PRO 6 5.864 11.341 -2.630
24 1HB PRO 6 1HB PRO 6 5.042 13.982 -2.819
25 2HB PRO 6 2HB PRO 6 4.049 12.583 -3.328
26 1HG PRO 6 2HG PRO 6 3.963 14.009 -0.650
27 2HG PRO 6 1HG PRO 6 2.600 13.640 -1.750
28 1HD PRO 6 1HD PRO 6 3.101 12.001 0.280
29 2HD PRO 6 2HD PRO 6 2.788 11.284 -1.325
30 H ARG 7 H ARG 7 5.942 13.135 0.473
31 HA ARG 7 HA ARG 7 8.409 14.526 -0.252
32 1HB ARG 7 1HB ARG 7 6.574 15.397 1.241
33 2HB ARG 7 2HB ARG 7 7.142 14.293 2.498
34 1HG ARG 7 1HG ARG 7 8.837 15.683 3.047
35 2HG ARG 7 2HG ARG 7 9.359 15.850 1.376
36 1HD ARG 7 1HD ARG 7 8.816 18.038 2.174
37 2HD ARG 7 2HD ARG 7 7.607 17.569 0.990
38 HE ARG 7 HE ARG 7 6.002 17.801 2.547
39 1HH1 ARG 7 1HH1 ARG 7 5.133 18.359 4.599
40 2HH1 ARG 7 2HH1 ARG 7 6.128 18.345 6.023
41 1HH2 ARG 7 1HH2 ARG 7 9.077 17.449 4.318
42 2HH2 ARG 7 2HH2 ARG 7 8.344 17.626 5.882
43 H CYS 8 H CYS 8 7.994 11.353 0.210
44 HA CYS 8 HA CYS 8 10.824 11.107 0.955
45 1HB CYS 8 1HB CYS 8 9.227 10.512 2.873
46 2HB CYS 8 2HB CYS 8 8.766 9.127 1.906
47 H ALA 9 H ALA 9 8.895 11.034 -1.590
48 HA ALA 9 HA ALA 9 9.637 8.335 -2.593
49 1HB ALA 9 1HB ALA 9 8.160 8.891 -4.451
50 2HB ALA 9 2HB ALA 9 7.965 10.551 -3.847
51 3HB ALA 9 3HB ALA 9 7.327 9.174 -2.911
52 H TRP 10 H TRP 10 11.399 11.128 -2.277
53 HA TRP 10 HA TRP 10 12.339 11.539 -4.959
54 1HB TRP 10 1HB TRP 10 12.928 12.525 -2.184
55 2HB TRP 10 2HB TRP 10 14.211 12.594 -3.360
56 HD1 TRP 10 HD1 TRP 10 10.469 13.335 -4.046
57 HE1 TRP 10 HE1 TRP 10 10.272 15.708 -5.039
58 HE3 TRP 10 HE3 TRP 10 15.362 14.818 -3.633
59 HZ2 TRP 10 HZ2 TRP 10 12.010 17.937 -5.567
60 HZ3 TRP 10 HZ3 TRP 10 16.046 17.085 -4.338
61 HH2 TRP 10 HH2 TRP 10 14.377 18.650 -5.315
62 H GLU 11 H GLU 11 13.936 10.023 -2.014
63 HA GLU 11 HA GLU 11 15.239 8.115 -3.787
64 1HB GLU 11 1HB GLU 11 17.074 8.317 -2.215
65 2HB GLU 11 2HB GLU 11 16.873 9.775 -3.164
66 1HG GLU 11 1HG GLU 11 15.776 9.483 -0.328
67 2HG GLU 11 2HG GLU 11 17.466 9.875 -0.616
68 H CYS 12 H CYS 12 13.044 8.464 -1.418
69 HA CYS 12 HA CYS 12 12.176 7.125 0.257
70 1HB CYS 12 1HB CYS 12 11.016 6.708 -1.788
71 2HB CYS 12 2HB CYS 12 12.211 5.554 -2.318
No H/Q in entry = 71
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 12.374 3.729 2.172
2 H2 GLY 1 H2 GLY 1 12.546 4.350 3.676
3 H3 GLY 1 H3 GLY 1 12.721 2.727 3.439
4 1HA GLY 1 2HA GLY 1 10.599 3.209 4.447
5 2HA GLY 1 1HA GLY 1 10.422 2.509 2.824
6 H CYS 2 H CYS 2 8.486 4.165 4.163
7 HA CYS 2 HA CYS 2 6.920 5.601 3.527
8 1HB CYS 2 1HB CYS 2 7.551 8.017 3.581
9 2HB CYS 2 2HB CYS 2 7.827 7.038 4.994
10 H CYS 3 H CYS 3 7.878 4.191 1.309
11 HA CYS 3 HA CYS 3 8.617 5.800 -0.882
12 1HB CYS 3 1HB CYS 3 7.291 3.069 -0.799
13 2HB CYS 3 2HB CYS 3 8.191 3.732 -2.165
14 H SER 4 H SER 4 5.455 5.408 0.502
15 HA SER 4 HA SER 4 4.139 6.300 -1.997
16 1HB SER 4 1HB SER 4 3.313 4.748 0.380
17 2HB SER 4 2HB SER 4 2.186 6.044 -0.040
18 HG SER 4 HG SER 4 2.298 5.259 -2.219
19 H ASP 5 H ASP 5 5.677 7.764 0.674
20 HA ASP 5 HA ASP 5 3.699 9.931 1.001
21 1HB ASP 5 1HB ASP 5 4.976 9.030 2.947
22 2HB ASP 5 2HB ASP 5 6.465 9.557 2.198
23 HA PRO 6 HA PRO 6 5.805 11.685 -2.589
24 1HB PRO 6 1HB PRO 6 4.761 14.248 -2.579
25 2HB PRO 6 2HB PRO 6 3.903 12.800 -3.190
26 1HG PRO 6 2HG PRO 6 3.670 14.092 -0.458
27 2HG PRO 6 1HG PRO 6 2.352 13.545 -1.546
28 1HD PRO 6 1HD PRO 6 3.210 12.021 0.523
29 2HD PRO 6 2HD PRO 6 2.758 11.268 -1.038
30 H ARG 7 H ARG 7 6.043 12.976 0.710
31 HA ARG 7 HA ARG 7 8.209 14.781 0.050
32 1HB ARG 7 1HB ARG 7 6.512 14.795 2.077
33 2HB ARG 7 2HB ARG 7 7.626 13.634 2.797
34 1HG ARG 7 1HG ARG 7 9.460 15.423 2.434
35 2HG ARG 7 2HG ARG 7 8.166 16.529 2.004
36 1HD ARG 7 1HD ARG 7 8.361 15.003 4.637
37 2HD ARG 7 2HD ARG 7 8.925 16.649 4.384
38 HE ARG 7 HE ARG 7 6.155 16.355 3.613
39 1HH1 ARG 7 1HH1 ARG 7 4.511 17.266 5.021
40 2HH1 ARG 7 2HH1 ARG 7 4.996 17.826 6.602
41 1HH2 ARG 7 1HH2 ARG 7 8.340 16.913 6.372
42 2HH2 ARG 7 2HH2 ARG 7 7.070 17.533 7.393
43 H CYS 8 H CYS 8 8.021 11.535 0.255
44 HA CYS 8 HA CYS 8 10.894 11.129 1.050
45 1HB CYS 8 1HB CYS 8 9.371 10.448 2.796
46 2HB CYS 8 2HB CYS 8 8.469 9.453 1.650
47 H ALA 9 H ALA 9 8.320 10.194 -1.204
48 HA ALA 9 HA ALA 9 9.756 8.365 -2.823
49 1HB ALA 9 1HB ALA 9 8.091 8.962 -4.512
50 2HB ALA 9 3HB ALA 9 7.662 10.437 -3.621
51 3HB ALA 9 2HB ALA 9 7.317 8.840 -2.921
52 H TRP 10 H TRP 10 11.156 11.061 -1.977
53 HA TRP 10 HA TRP 10 12.403 12.095 -4.376
54 1HB TRP 10 1HB TRP 10 12.893 11.986 -1.381
55 2HB TRP 10 2HB TRP 10 14.182 12.396 -2.462
56 HD1 TRP 10 HD1 TRP 10 10.551 13.695 -2.783
57 HE1 TRP 10 HE1 TRP 10 10.566 16.242 -2.683
58 HE3 TRP 10 HE3 TRP 10 15.498 14.432 -1.674
59 HZ2 TRP 10 HZ2 TRP 10 12.487 18.356 -2.191
60 HZ3 TRP 10 HZ3 TRP 10 16.388 16.729 -1.378
61 HH2 TRP 10 HH2 TRP 10 14.893 18.696 -1.652
62 H GLU 11 H GLU 11 13.022 9.593 -1.861
63 HA GLU 11 HA GLU 11 14.446 8.021 -3.920
64 1HB GLU 11 1HB GLU 11 15.943 9.577 -2.286
65 2HB GLU 11 2HB GLU 11 15.731 8.192 -1.210
66 1HG GLU 11 1HG GLU 11 16.482 6.795 -3.348
67 2HG GLU 11 2HG GLU 11 17.065 8.346 -3.933
68 H CYS 12 H CYS 12 12.152 7.962 -1.615
69 HA CYS 12 HA CYS 12 11.051 6.355 -0.394
70 1HB CYS 12 1HB CYS 12 10.280 5.499 -2.303
71 2HB CYS 12 2HB CYS 12 11.833 5.185 -2.976
No H/Q in entry = 71
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 11.982 3.043 0.809
2 H2 GLY 1 H2 GLY 1 12.684 3.256 2.283
3 H3 GLY 1 H3 GLY 1 12.441 1.732 1.686
4 1HA GLY 1 2HA GLY 1 10.851 2.439 3.439
5 2HA GLY 1 1HA GLY 1 10.123 1.893 1.906
6 H CYS 2 H CYS 2 8.893 3.737 3.807
7 HA CYS 2 HA CYS 2 7.456 5.414 3.687
8 1HB CYS 2 2HB CYS 2 8.324 7.670 3.474
9 2HB CYS 2 1HB CYS 2 9.228 6.698 4.605
10 H CYS 3 H CYS 3 7.897 3.960 1.001
11 HA CYS 3 HA CYS 3 7.996 5.824 -1.042
12 1HB CYS 3 2HB CYS 3 6.818 3.031 -1.090
13 2HB CYS 3 1HB CYS 3 7.362 3.937 -2.496
14 H SER 4 H SER 4 5.195 5.153 0.862
15 HA SER 4 HA SER 4 3.181 5.919 -1.087
16 1HB SER 4 1HB SER 4 3.356 5.309 1.843
17 2HB SER 4 2HB SER 4 2.159 6.525 1.418
18 HG SER 4 HG SER 4 1.010 4.821 1.128
19 H ASP 5 H ASP 5 5.520 7.716 0.867
20 HA ASP 5 HA ASP 5 3.860 10.138 1.027
21 1HB ASP 5 1HB ASP 5 4.959 9.401 3.038
22 2HB ASP 5 2HB ASP 5 6.515 9.284 2.224
23 HA PRO 6 HA PRO 6 6.218 11.383 -2.702
24 1HB PRO 6 1HB PRO 6 5.057 13.819 -3.176
25 2HB PRO 6 2HB PRO 6 4.320 12.258 -3.642
26 1HG PRO 6 1HG PRO 6 3.787 13.902 -1.161
27 2HG PRO 6 2HG PRO 6 2.591 13.185 -2.276
28 1HD PRO 6 1HD PRO 6 3.278 11.954 0.048
29 2HD PRO 6 2HD PRO 6 3.016 10.991 -1.440
30 H ARG 7 H ARG 7 6.002 12.983 0.437
31 HA ARG 7 HA ARG 7 8.165 14.857 -0.081
32 1HB ARG 7 1HB ARG 7 6.205 14.688 1.811
33 2HB ARG 7 2HB ARG 7 7.514 13.890 2.675
34 1HG ARG 7 1HG ARG 7 8.931 15.955 2.128
35 2HG ARG 7 2HG ARG 7 7.447 16.714 1.550
36 1HD ARG 7 2HD ARG 7 8.033 15.666 4.355
37 2HD ARG 7 1HD ARG 7 7.848 17.355 3.915
38 HE ARG 7 HE ARG 7 5.832 15.375 4.468
39 1HH1 ARG 7 1HH1 ARG 7 3.639 15.730 4.240
40 2HH1 ARG 7 2HH1 ARG 7 2.996 17.120 3.464
41 1HH2 ARG 7 1HH2 ARG 7 6.258 18.444 2.679
42 2HH2 ARG 7 2HH2 ARG 7 4.547 18.675 2.447
43 H CYS 8 H CYS 8 8.035 11.612 0.078
44 HA CYS 8 HA CYS 8 10.846 11.257 1.007
45 1HB CYS 8 1HB CYS 8 8.658 10.454 2.379
46 2HB CYS 8 2HB CYS 8 8.846 9.057 1.336
47 H ALA 9 H ALA 9 8.443 10.570 -1.451
48 HA ALA 9 HA ALA 9 9.762 8.607 -2.994
49 1HB ALA 9 1HB ALA 9 8.422 9.511 -4.832
50 2HB ALA 9 3HB ALA 9 8.083 10.980 -3.908
51 3HB ALA 9 2HB ALA 9 7.442 9.400 -3.360
52 H TRP 10 H TRP 10 11.087 11.491 -2.077
53 HA TRP 10 HA TRP 10 12.805 12.293 -4.186
54 1HB TRP 10 1HB TRP 10 12.705 12.314 -1.181
55 2HB TRP 10 2HB TRP 10 14.277 12.432 -1.908
56 HD1 TRP 10 HD1 TRP 10 10.856 14.255 -2.145
57 HE1 TRP 10 HE1 TRP 10 11.265 16.740 -2.694
58 HE3 TRP 10 HE3 TRP 10 15.962 14.198 -2.609
59 HZ2 TRP 10 HZ2 TRP 10 13.480 18.472 -3.198
60 HZ3 TRP 10 HZ3 TRP 10 17.184 16.272 -3.194
61 HH2 TRP 10 HH2 TRP 10 15.955 18.412 -3.514
62 H GLU 11 H GLU 11 12.965 9.630 -1.793
63 HA GLU 11 HA GLU 11 14.841 8.257 -3.639
64 1HB GLU 11 1HB GLU 11 15.970 9.468 -1.673
65 2HB GLU 11 2HB GLU 11 15.184 8.311 -0.629
66 1HG GLU 11 1HG GLU 11 16.536 6.756 -2.600
67 2HG GLU 11 2HG GLU 11 17.627 8.073 -2.200
68 H CYS 12 H CYS 12 12.208 7.997 -1.728
69 HA CYS 12 HA CYS 12 10.941 6.270 -0.759
70 1HB CYS 12 1HB CYS 12 9.978 6.045 -2.805
71 2HB CYS 12 2HB CYS 12 11.450 5.554 -3.586
No H/Q in entry = 71
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 11.420 1.559 2.614
2 H2 GLY 1 H2 GLY 1 10.691 0.185 3.168
3 H3 GLY 1 H3 GLY 1 10.259 0.843 1.709
4 1HA GLY 1 2HA GLY 1 9.843 2.040 4.354
5 2HA GLY 1 1HA GLY 1 8.582 1.332 3.323
6 H CYS 2 H CYS 2 8.131 3.849 4.085
7 HA CYS 2 HA CYS 2 7.720 5.913 3.622
8 1HB CYS 2 1HB CYS 2 10.292 5.668 3.977
9 2HB CYS 2 2HB CYS 2 10.400 6.183 2.298
10 H CYS 3 H CYS 3 8.393 4.131 0.693
11 HA CYS 3 HA CYS 3 8.312 6.080 -1.233
12 1HB CYS 3 1HB CYS 3 6.968 3.380 -1.426
13 2HB CYS 3 2HB CYS 3 7.608 4.315 -2.770
14 H SER 4 H SER 4 5.542 5.280 0.757
15 HA SER 4 HA SER 4 3.475 5.814 -1.150
16 1HB SER 4 1HB SER 4 2.206 5.884 1.072
17 2HB SER 4 2HB SER 4 3.035 4.378 0.689
18 HG SER 4 HG SER 4 3.532 6.261 2.652
19 H ASP 5 H ASP 5 5.583 7.669 0.992
20 HA ASP 5 HA ASP 5 3.752 9.867 1.415
21 1HB ASP 5 1HB ASP 5 5.123 9.065 3.216
22 2HB ASP 5 2HB ASP 5 6.596 9.247 2.262
23 HA PRO 6 HA PRO 6 5.169 11.772 -2.339
24 1HB PRO 6 1HB PRO 6 4.048 14.265 -2.167
25 2HB PRO 6 2HB PRO 6 3.085 12.776 -2.430
26 1HG PRO 6 1HG PRO 6 3.662 14.174 0.202
27 2HG PRO 6 2HG PRO 6 2.067 13.693 -0.437
28 1HD PRO 6 1HD PRO 6 3.401 12.126 1.320
29 2HD PRO 6 2HD PRO 6 2.532 11.380 -0.059
30 H ARG 7 H ARG 7 6.113 12.960 0.828
31 HA ARG 7 HA ARG 7 8.027 14.907 -0.228
32 1HB ARG 7 1HB ARG 7 6.504 15.036 1.923
33 2HB ARG 7 2HB ARG 7 7.703 13.985 2.636
34 1HG ARG 7 1HG ARG 7 9.422 15.821 2.059
35 2HG ARG 7 2HG ARG 7 8.016 16.840 1.713
36 1HD ARG 7 1HD ARG 7 8.610 15.395 4.339
37 2HD ARG 7 2HD ARG 7 8.810 17.115 4.056
38 HE ARG 7 HE ARG 7 6.335 15.645 4.550
39 1HH1 ARG 7 1HH1 ARG 7 4.427 16.885 5.031
40 2HH1 ARG 7 2HH1 ARG 7 4.355 18.545 4.573
41 1HH2 ARG 7 1HH2 ARG 7 7.647 18.716 3.275
42 2HH2 ARG 7 2HH2 ARG 7 6.198 19.598 3.662
43 H CYS 8 H CYS 8 7.847 11.673 0.110
44 HA CYS 8 HA CYS 8 10.745 11.234 0.695
45 1HB CYS 8 1HB CYS 8 8.705 10.384 2.181
46 2HB CYS 8 2HB CYS 8 8.661 9.096 0.992
47 H ALA 9 H ALA 9 8.456 10.993 -1.807
48 HA ALA 9 HA ALA 9 9.504 8.868 -3.385
49 1HB ALA 9 1HB ALA 9 8.395 10.002 -5.212
50 2HB ALA 9 3HB ALA 9 7.372 10.180 -3.777
51 3HB ALA 9 2HB ALA 9 8.394 11.539 -4.330
52 H TRP 10 H TRP 10 11.389 11.354 -2.171
53 HA TRP 10 HA TRP 10 13.207 11.942 -4.276
54 1HB TRP 10 1HB TRP 10 13.196 11.799 -1.252
55 2HB TRP 10 2HB TRP 10 14.690 11.940 -2.139
56 HD1 TRP 10 HD1 TRP 10 11.857 13.902 -3.664
57 HE1 TRP 10 HE1 TRP 10 12.254 16.391 -3.319
58 HE3 TRP 10 HE3 TRP 10 15.755 13.666 -0.336
59 HZ2 TRP 10 HZ2 TRP 10 13.895 18.085 -1.640
60 HZ3 TRP 10 HZ3 TRP 10 16.675 15.737 0.652
61 HH2 TRP 10 HH2 TRP 10 15.742 17.951 0.025
62 H GLU 11 H GLU 11 13.381 9.485 -1.583
63 HA GLU 11 HA GLU 11 14.866 7.739 -3.466
64 1HB GLU 11 1HB GLU 11 16.189 9.436 -1.957
65 2HB GLU 11 2HB GLU 11 15.854 8.282 -0.665
66 1HG GLU 11 1HG GLU 11 17.037 6.514 -1.923
67 2HG GLU 11 2HG GLU 11 17.172 7.580 -3.335
68 H CYS 12 H CYS 12 12.275 7.831 -1.525
69 HA CYS 12 HA CYS 12 10.931 6.182 -0.627
70 1HB CYS 12 1HB CYS 12 10.223 6.232 -2.744
71 2HB CYS 12 2HB CYS 12 11.754 5.810 -3.437
No H/Q in entry = 71
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 5.670 1.743 3.820
2 H2 GLY 1 H2 GLY 1 6.571 0.828 4.852
3 H3 GLY 1 H3 GLY 1 6.024 2.306 5.322
4 1HA GLY 1 2HA GLY 1 7.995 1.786 3.204
5 2HA GLY 1 1HA GLY 1 8.341 2.462 4.813
6 H CYS 2 H CYS 2 9.269 4.363 3.567
7 HA CYS 2 HA CYS 2 7.215 6.383 3.559
8 1HB CYS 2 2HB CYS 2 8.847 7.924 3.554
9 2HB CYS 2 1HB CYS 2 9.675 6.594 4.345
10 H CYS 3 H CYS 3 8.182 4.283 1.036
11 HA CYS 3 HA CYS 3 8.355 5.980 -1.146
12 1HB CYS 3 1HB CYS 3 8.657 3.400 -0.994
13 2HB CYS 3 2HB CYS 3 6.930 3.316 -1.324
14 H SER 4 H SER 4 5.399 4.973 0.564
15 HA SER 4 HA SER 4 3.530 5.814 -1.445
16 1HB SER 4 1HB SER 4 2.044 5.493 0.673
17 2HB SER 4 2HB SER 4 2.825 4.088 -0.059
18 HG SER 4 HG SER 4 3.360 5.444 2.330
19 H ASP 5 H ASP 5 5.646 7.720 0.343
20 HA ASP 5 HA ASP 5 3.672 9.870 0.853
21 1HB ASP 5 1HB ASP 5 4.586 8.951 2.889
22 2HB ASP 5 2HB ASP 5 6.236 9.178 2.305
23 HA PRO 6 HA PRO 6 6.211 11.515 -2.525
24 1HB PRO 6 1HB PRO 6 4.876 13.923 -2.860
25 2HB PRO 6 2HB PRO 6 4.437 12.358 -3.602
26 1HG PRO 6 2HG PRO 6 3.313 13.610 -1.096
27 2HG PRO 6 1HG PRO 6 2.429 12.817 -2.440
28 1HD PRO 6 1HD PRO 6 2.947 11.498 -0.154
29 2HD PRO 6 2HD PRO 6 3.091 10.658 -1.724
30 H ARG 7 H ARG 7 5.838 12.918 0.751
31 HA ARG 7 HA ARG 7 7.894 14.898 0.265
32 1HB ARG 7 1HB ARG 7 6.242 13.973 2.563
33 2HB ARG 7 2HB ARG 7 7.867 14.415 3.002
34 1HG ARG 7 1HG ARG 7 7.548 16.660 1.954
35 2HG ARG 7 2HG ARG 7 5.919 16.184 1.478
36 1HD ARG 7 1HD ARG 7 5.702 17.526 3.446
37 2HD ARG 7 2HD ARG 7 5.318 15.867 3.882
38 HE ARG 7 HE ARG 7 8.097 16.796 4.278
39 1HH1 ARG 7 1HH1 ARG 7 8.983 16.415 6.376
40 2HH1 ARG 7 2HH1 ARG 7 7.977 16.128 7.742
41 1HH2 ARG 7 1HH2 ARG 7 4.936 16.472 5.870
42 2HH2 ARG 7 2HH2 ARG 7 5.597 16.121 7.433
43 H CYS 8 H CYS 8 8.008 11.643 0.378
44 HA CYS 8 HA CYS 8 10.927 11.605 1.109
45 1HB CYS 8 1HB CYS 8 9.316 10.484 2.741
46 2HB CYS 8 2HB CYS 8 8.983 9.314 1.465
47 H ALA 9 H ALA 9 8.534 10.797 -1.273
48 HA ALA 9 HA ALA 9 9.539 8.621 -2.520
49 1HB ALA 9 1HB ALA 9 8.274 9.350 -4.503
50 2HB ALA 9 2HB ALA 9 8.181 10.994 -3.835
51 3HB ALA 9 3HB ALA 9 7.373 9.639 -3.003
52 H TRP 10 H TRP 10 11.191 11.700 -2.657
53 HA TRP 10 HA TRP 10 12.720 11.631 -4.924
54 1HB TRP 10 1HB TRP 10 13.063 12.392 -2.014
55 2HB TRP 10 2HB TRP 10 14.468 12.337 -3.022
56 HD1 TRP 10 HD1 TRP 10 11.553 13.560 -4.980
57 HE1 TRP 10 HE1 TRP 10 11.763 16.068 -5.406
58 HE3 TRP 10 HE3 TRP 10 15.229 14.632 -1.581
59 HZ2 TRP 10 HZ2 TRP 10 13.389 18.263 -4.448
60 HZ3 TRP 10 HZ3 TRP 10 16.079 16.953 -1.348
61 HH2 TRP 10 HH2 TRP 10 15.181 18.769 -2.777
62 H GLU 11 H GLU 11 13.391 9.787 -1.875
63 HA GLU 11 HA GLU 11 15.040 7.962 -3.538
64 1HB GLU 11 1HB GLU 11 16.142 9.141 -1.624
65 2HB GLU 11 2HB GLU 11 15.113 8.240 -0.518
66 1HG GLU 11 1HG GLU 11 16.922 6.862 -2.554
67 2HG GLU 11 2HG GLU 11 17.532 7.418 -1.000
68 H CYS 12 H CYS 12 12.181 8.227 -1.988
69 HA CYS 12 HA CYS 12 10.441 6.891 -1.371
70 1HB CYS 12 1HB CYS 12 9.974 6.444 -3.500
71 2HB CYS 12 2HB CYS 12 11.568 5.878 -3.878
No H/Q in entry = 71
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 6.059 1.928 2.406
2 H2 GLY 1 H2 GLY 1 5.818 1.055 3.779
3 H3 GLY 1 H3 GLY 1 4.866 2.361 3.461
4 1HA GLY 1 2HA GLY 1 7.735 2.403 4.052
5 2HA GLY 1 1HA GLY 1 6.433 2.924 5.143
6 H CYS 2 H CYS 2 8.764 4.473 3.827
7 HA CYS 2 HA CYS 2 7.176 6.817 3.342
8 1HB CYS 2 2HB CYS 2 8.964 7.930 3.821
9 2HB CYS 2 1HB CYS 2 9.699 6.419 4.297
10 H CYS 3 H CYS 3 8.307 4.371 1.145
11 HA CYS 3 HA CYS 3 8.541 5.693 -1.255
12 1HB CYS 3 1HB CYS 3 7.798 3.000 -0.384
13 2HB CYS 3 2HB CYS 3 6.863 3.472 -1.783
14 H SER 4 H SER 4 5.403 5.126 0.477
15 HA SER 4 HA SER 4 3.871 6.156 -1.756
16 1HB SER 4 1HB SER 4 2.077 5.727 0.137
17 2HB SER 4 2HB SER 4 2.792 4.388 -0.766
18 HG SER 4 HG SER 4 2.725 4.295 1.657
19 H ASP 5 H ASP 5 5.722 7.715 0.556
20 HA ASP 5 HA ASP 5 3.776 9.877 1.110
21 1HB ASP 5 1HB ASP 5 4.849 9.268 3.093
22 2HB ASP 5 2HB ASP 5 6.409 9.023 2.314
23 HA PRO 6 HA PRO 6 5.763 11.659 -2.553
24 1HB PRO 6 1HB PRO 6 4.638 14.187 -2.497
25 2HB PRO 6 2HB PRO 6 3.805 12.727 -3.103
26 1HG PRO 6 2HG PRO 6 3.630 13.971 -0.340
27 2HG PRO 6 1HG PRO 6 2.286 13.441 -1.400
28 1HD PRO 6 1HD PRO 6 3.192 11.861 0.594
29 2HD PRO 6 2HD PRO 6 2.762 11.138 -0.983
30 H ARG 7 H ARG 7 6.032 12.882 0.739
31 HA ARG 7 HA ARG 7 8.048 14.875 0.154
32 1HB ARG 7 1HB ARG 7 6.372 14.705 2.162
33 2HB ARG 7 2HB ARG 7 7.492 13.479 2.747
34 1HG ARG 7 1HG ARG 7 9.267 15.441 2.524
35 2HG ARG 7 2HG ARG 7 7.832 16.454 2.640
36 1HD ARG 7 1HD ARG 7 8.555 14.209 4.605
37 2HD ARG 7 2HD ARG 7 8.973 15.900 4.836
38 HE ARG 7 HE ARG 7 6.844 16.462 5.347
39 1HH1 ARG 7 1HH1 ARG 7 5.002 15.999 6.550
40 2HH1 ARG 7 2HH1 ARG 7 4.139 14.518 6.281
41 1HH2 ARG 7 1HH2 ARG 7 6.585 13.003 4.231
42 2HH2 ARG 7 2HH2 ARG 7 5.250 12.709 5.223
43 H CYS 8 H CYS 8 8.051 11.612 0.275
44 HA CYS 8 HA CYS 8 10.981 11.398 0.871
45 1HB CYS 8 1HB CYS 8 9.488 10.891 2.794
46 2HB CYS 8 2HB CYS 8 8.877 9.497 1.911
47 H ALA 9 H ALA 9 8.369 10.178 -1.147
48 HA ALA 9 HA ALA 9 9.715 8.166 -2.557
49 1HB ALA 9 1HB ALA 9 8.228 8.772 -4.413
50 2HB ALA 9 2HB ALA 9 7.877 10.341 -3.657
51 3HB ALA 9 3HB ALA 9 7.348 8.833 -2.873
52 H TRP 10 H TRP 10 10.902 11.298 -2.154
53 HA TRP 10 HA TRP 10 12.373 12.025 -4.406
54 1HB TRP 10 1HB TRP 10 12.639 12.097 -1.391
55 2HB TRP 10 2HB TRP 10 14.047 12.417 -2.349
56 HD1 TRP 10 HD1 TRP 10 10.726 13.781 -3.653
57 HE1 TRP 10 HE1 TRP 10 10.799 16.344 -3.552
58 HE3 TRP 10 HE3 TRP 10 15.033 14.372 -0.942
59 HZ2 TRP 10 HZ2 TRP 10 12.454 18.369 -2.381
60 HZ3 TRP 10 HZ3 TRP 10 15.807 16.638 -0.306
61 HH2 TRP 10 HH2 TRP 10 14.538 18.652 -1.028
62 H GLU 11 H GLU 11 13.077 9.519 -1.908
63 HA GLU 11 HA GLU 11 14.739 8.194 -3.938
64 1HB GLU 11 1HB GLU 11 16.252 9.544 -2.477
65 2HB GLU 11 2HB GLU 11 15.670 8.644 -1.075
66 1HG GLU 11 1HG GLU 11 16.608 6.549 -2.016
67 2HG GLU 11 2HG GLU 11 17.161 7.433 -3.447
68 H CYS 12 H CYS 12 12.533 7.922 -1.549
69 HA CYS 12 HA CYS 12 11.776 6.302 -0.119
70 1HB CYS 12 1HB CYS 12 10.497 5.764 -1.984
71 2HB CYS 12 2HB CYS 12 11.837 5.037 -2.814
No H/Q in entry = 71
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 5.493 1.930 5.715
2 H2 GLY 1 H2 GLY 1 6.052 0.421 5.331
3 H3 GLY 1 H3 GLY 1 6.996 1.470 6.205
4 1HA GLY 1 2HA GLY 1 6.209 1.793 3.411
5 2HA GLY 1 1HA GLY 1 7.816 1.396 4.039
6 H CYS 2 H CYS 2 7.336 3.592 2.407
7 HA CYS 2 HA CYS 2 7.440 6.037 4.018
8 1HB CYS 2 1HB CYS 2 9.677 5.143 4.389
9 2HB CYS 2 2HB CYS 2 9.905 4.862 2.669
10 H CYS 3 H CYS 3 8.128 4.389 0.865
11 HA CYS 3 HA CYS 3 7.859 6.717 -0.716
12 1HB CYS 3 1HB CYS 3 9.008 4.575 -1.277
13 2HB CYS 3 2HB CYS 3 7.431 3.848 -1.581
14 H SER 4 H SER 4 5.408 5.094 0.969
15 HA SER 4 HA SER 4 3.114 5.785 -0.649
16 1HB SER 4 1HB SER 4 3.764 4.748 2.061
17 2HB SER 4 2HB SER 4 2.315 5.737 1.995
18 HG SER 4 HG SER 4 1.837 3.545 1.587
19 H ASP 5 H ASP 5 5.373 7.814 0.947
20 HA ASP 5 HA ASP 5 3.478 10.101 1.140
21 1HB ASP 5 1HB ASP 5 4.429 9.861 3.244
22 2HB ASP 5 2HB ASP 5 5.964 9.279 2.628
23 HA PRO 6 HA PRO 6 5.704 11.139 -2.635
24 1HB PRO 6 1HB PRO 6 4.946 13.781 -2.942
25 2HB PRO 6 2HB PRO 6 3.962 12.370 -3.408
26 1HG PRO 6 2HG PRO 6 3.793 14.009 -0.869
27 2HG PRO 6 1HG PRO 6 2.458 13.418 -1.909
28 1HD PRO 6 1HD PRO 6 3.186 12.147 0.389
29 2HD PRO 6 2HD PRO 6 2.652 11.222 -1.048
30 H ARG 7 H ARG 7 6.103 12.953 0.435
31 HA ARG 7 HA ARG 7 8.495 14.265 -0.578
32 1HB ARG 7 1HB ARG 7 7.030 15.202 1.217
33 2HB ARG 7 2HB ARG 7 7.589 13.933 2.314
34 1HG ARG 7 1HG ARG 7 9.841 14.848 2.319
35 2HG ARG 7 2HG ARG 7 9.469 15.887 0.940
36 1HD ARG 7 1HD ARG 7 9.463 17.279 2.866
37 2HD ARG 7 2HD ARG 7 7.785 17.094 2.364
38 HE ARG 7 HE ARG 7 8.748 15.193 4.402
39 1HH1 ARG 7 1HH1 ARG 7 8.165 15.354 6.549
40 2HH1 ARG 7 2HH1 ARG 7 7.366 16.774 7.143
41 1HH2 ARG 7 1HH2 ARG 7 6.912 18.211 3.932
42 2HH2 ARG 7 2HH2 ARG 7 6.589 18.402 5.624
43 H CYS 8 H CYS 8 7.876 11.156 0.175
44 HA CYS 8 HA CYS 8 10.669 10.480 0.971
45 1HB CYS 8 1HB CYS 8 8.729 9.204 1.946
46 2HB CYS 8 2HB CYS 8 8.385 8.600 0.328
47 H ALA 9 H ALA 9 8.739 11.017 -1.944
48 HA ALA 9 HA ALA 9 9.914 9.117 -3.650
49 1HB ALA 9 1HB ALA 9 9.044 10.465 -5.460
50 2HB ALA 9 3HB ALA 9 8.914 11.892 -4.419
51 3HB ALA 9 2HB ALA 9 7.856 10.489 -4.148
52 H TRP 10 H TRP 10 11.450 11.781 -2.169
53 HA TRP 10 HA TRP 10 13.432 12.672 -3.911
54 1HB TRP 10 1HB TRP 10 13.067 12.175 -0.957
55 2HB TRP 10 2HB TRP 10 14.672 12.452 -1.556
56 HD1 TRP 10 HD1 TRP 10 11.222 14.228 -1.665
57 HE1 TRP 10 HE1 TRP 10 11.586 16.747 -1.425
58 HE3 TRP 10 HE3 TRP 10 16.346 14.320 -1.657
59 HZ2 TRP 10 HZ2 TRP 10 13.813 18.575 -1.174
60 HZ3 TRP 10 HZ3 TRP 10 17.559 16.467 -1.378
61 HH2 TRP 10 HH2 TRP 10 16.297 18.601 -1.116
62 H GLU 11 H GLU 11 13.348 9.679 -1.879
63 HA GLU 11 HA GLU 11 15.117 8.457 -3.935
64 1HB GLU 11 1HB GLU 11 16.446 9.219 -1.944
65 2HB GLU 11 2HB GLU 11 15.434 8.166 -0.941
66 1HG GLU 11 1HG GLU 11 16.297 6.180 -2.051
67 2HG GLU 11 2HG GLU 11 17.178 7.176 -3.224
68 H CYS 12 H CYS 12 12.402 8.173 -2.149
69 HA CYS 12 HA CYS 12 10.865 6.517 -1.614
70 1HB CYS 12 1HB CYS 12 10.528 6.991 -3.949
71 2HB CYS 12 2HB CYS 12 11.829 5.934 -4.392
No H/Q in entry = 71
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 3.730 5.451 3.511
2 H2 GLY 1 H2 GLY 1 3.611 4.391 4.783
3 H3 GLY 1 H3 GLY 1 4.339 5.853 4.980
4 1HA GLY 1 2HA GLY 1 5.336 3.664 3.311
5 2HA GLY 1 1HA GLY 1 6.007 4.188 4.874
6 H CYS 2 H CYS 2 8.108 4.660 3.662
7 HA CYS 2 HA CYS 2 8.262 7.410 3.003
8 1HB CYS 2 1HB CYS 2 10.179 6.150 3.823
9 2HB CYS 2 2HB CYS 2 10.165 5.131 2.382
10 H CYS 3 H CYS 3 8.424 4.527 0.771
11 HA CYS 3 HA CYS 3 8.441 6.021 -1.633
12 1HB CYS 3 1HB CYS 3 7.099 3.356 -1.058
13 2HB CYS 3 2HB CYS 3 7.515 3.977 -2.658
14 H SER 4 H SER 4 5.632 4.890 0.366
15 HA SER 4 HA SER 4 3.692 6.072 -1.386
16 1HB SER 4 1HB SER 4 2.248 5.160 0.538
17 2HB SER 4 2HB SER 4 3.085 4.043 -0.530
18 HG SER 4 HG SER 4 3.203 3.462 1.613
19 H ASP 5 H ASP 5 5.749 7.951 0.128
20 HA ASP 5 HA ASP 5 3.593 9.860 0.755
21 1HB ASP 5 1HB ASP 5 4.487 9.114 2.884
22 2HB ASP 5 2HB ASP 5 6.147 9.372 2.342
23 HA PRO 6 HA PRO 6 5.998 11.500 -2.620
24 1HB PRO 6 1HB PRO 6 5.103 14.151 -2.660
25 2HB PRO 6 2HB PRO 6 4.300 12.743 -3.419
26 1HG PRO 6 2HG PRO 6 3.744 13.975 -0.715
27 2HG PRO 6 1HG PRO 6 2.573 13.456 -1.973
28 1HD PRO 6 1HD PRO 6 3.082 11.863 0.126
29 2HD PRO 6 2HD PRO 6 2.961 11.152 -1.508
30 H ARG 7 H ARG 7 6.100 13.057 0.568
31 HA ARG 7 HA ARG 7 8.374 14.705 -0.051
32 1HB ARG 7 1HB ARG 7 6.609 14.155 2.240
33 2HB ARG 7 2HB ARG 7 8.272 14.305 2.770
34 1HG ARG 7 1HG ARG 7 7.064 16.404 0.924
35 2HG ARG 7 2HG ARG 7 6.692 16.401 2.647
36 1HD ARG 7 1HD ARG 7 8.586 17.897 2.243
37 2HD ARG 7 2HD ARG 7 9.024 16.536 3.254
38 HE ARG 7 HE ARG 7 10.483 15.772 1.708
39 1HH1 ARG 7 1HH1 ARG 7 11.774 15.856 -0.221
40 2HH1 ARG 7 2HH1 ARG 7 11.263 16.859 -1.552
41 1HH2 ARG 7 1HH2 ARG 7 8.443 18.221 0.035
42 2HH2 ARG 7 2HH2 ARG 7 9.413 18.132 -1.417
43 H CYS 8 H CYS 8 8.124 11.491 0.421
44 HA CYS 8 HA CYS 8 11.031 11.148 1.067
45 1HB CYS 8 1HB CYS 8 9.340 10.678 2.886
46 2HB CYS 8 2HB CYS 8 8.804 9.301 1.956
47 H ALA 9 H ALA 9 8.309 10.138 -0.942
48 HA ALA 9 HA ALA 9 9.420 8.141 -2.523
49 1HB ALA 9 1HB ALA 9 7.907 8.960 -4.261
50 2HB ALA 9 3HB ALA 9 7.791 10.538 -3.475
51 3HB ALA 9 2HB ALA 9 7.096 9.101 -2.686
52 H TRP 10 H TRP 10 10.561 11.385 -2.201
53 HA TRP 10 HA TRP 10 12.143 11.925 -4.413
54 1HB TRP 10 1HB TRP 10 12.174 12.365 -1.465
55 2HB TRP 10 2HB TRP 10 13.764 12.290 -2.158
56 HD1 TRP 10 HD1 TRP 10 10.592 14.067 -3.527
57 HE1 TRP 10 HE1 TRP 10 11.232 16.504 -4.062
58 HE3 TRP 10 HE3 TRP 10 15.457 13.961 -1.996
59 HZ2 TRP 10 HZ2 TRP 10 13.512 18.253 -3.591
60 HZ3 TRP 10 HZ3 TRP 10 16.842 16.034 -2.000
61 HH2 TRP 10 HH2 TRP 10 15.864 18.179 -2.766
62 H GLU 11 H GLU 11 12.694 9.437 -1.858
63 HA GLU 11 HA GLU 11 14.743 8.293 -3.631
64 1HB GLU 11 1HB GLU 11 15.566 10.007 -1.772
65 2HB GLU 11 2HB GLU 11 15.436 8.625 -0.713
66 1HG GLU 11 1HG GLU 11 17.062 8.753 -3.301
67 2HG GLU 11 2HG GLU 11 17.713 9.112 -1.704
68 H CYS 12 H CYS 12 12.369 7.817 -1.441
69 HA CYS 12 HA CYS 12 11.160 5.932 -0.740
70 1HB CYS 12 1HB CYS 12 10.486 6.179 -2.943
71 2HB CYS 12 2HB CYS 12 11.966 5.539 -3.595
No H/Q in entry = 71
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 4.103 6.458 4.850
2 H2 GLY 1 H2 GLY 1 3.722 5.356 3.706
3 H3 GLY 1 H3 GLY 1 3.637 4.925 5.298
4 1HA GLY 1 2HA GLY 1 5.565 3.976 4.269
5 2HA GLY 1 1HA GLY 1 6.019 5.169 5.510
6 H CYS 2 H CYS 2 8.037 4.897 3.927
7 HA CYS 2 HA CYS 2 8.307 7.463 2.868
8 1HB CYS 2 1HB CYS 2 10.128 5.997 3.787
9 2HB CYS 2 2HB CYS 2 10.098 5.072 2.286
10 H CYS 3 H CYS 3 8.207 4.346 1.046
11 HA CYS 3 HA CYS 3 8.128 5.603 -1.549
12 1HB CYS 3 1HB CYS 3 7.322 2.862 -0.535
13 2HB CYS 3 2HB CYS 3 7.289 3.304 -2.238
14 H SER 4 H SER 4 5.670 5.264 0.897
15 HA SER 4 HA SER 4 3.464 5.715 -0.952
16 1HB SER 4 1HB SER 4 2.298 5.309 1.380
17 2HB SER 4 2HB SER 4 2.836 3.976 0.360
18 HG SER 4 HG SER 4 4.418 3.542 1.632
19 H ASP 5 H ASP 5 5.686 7.830 -0.008
20 HA ASP 5 HA ASP 5 3.618 9.853 0.578
21 1HB ASP 5 1HB ASP 5 4.602 9.119 2.739
22 2HB ASP 5 2HB ASP 5 6.214 9.564 2.143
23 HA PRO 6 HA PRO 6 5.917 11.638 -2.714
24 1HB PRO 6 1HB PRO 6 5.004 14.248 -2.685
25 2HB PRO 6 2HB PRO 6 4.094 12.851 -3.322
26 1HG PRO 6 2HG PRO 6 3.879 14.130 -0.586
27 2HG PRO 6 1HG PRO 6 2.556 13.658 -1.705
28 1HD PRO 6 1HD PRO 6 3.285 12.067 0.345
29 2HD PRO 6 2HD PRO 6 2.858 11.357 -1.242
30 H ARG 7 H ARG 7 6.235 13.048 0.591
31 HA ARG 7 HA ARG 7 8.497 14.672 -0.239
32 1HB ARG 7 1HB ARG 7 6.744 14.783 1.904
33 2HB ARG 7 2HB ARG 7 8.110 13.965 2.635
34 1HG ARG 7 1HG ARG 7 8.523 16.209 3.074
35 2HG ARG 7 2HG ARG 7 9.579 15.871 1.700
36 1HD ARG 7 1HD ARG 7 8.544 17.993 1.326
37 2HD ARG 7 2HD ARG 7 7.763 16.863 0.205
38 HE ARG 7 HE ARG 7 6.039 16.677 2.209
39 1HH1 ARG 7 1HH1 ARG 7 4.505 18.057 3.158
40 2HH1 ARG 7 2HH1 ARG 7 4.491 19.749 2.758
41 1HH2 ARG 7 1HH2 ARG 7 7.427 19.670 0.884
42 2HH2 ARG 7 2HH2 ARG 7 6.019 20.613 1.217
43 H CYS 8 H CYS 8 8.100 11.476 0.236
44 HA CYS 8 HA CYS 8 10.938 11.020 1.099
45 1HB CYS 8 1HB CYS 8 8.999 10.568 2.720
46 2HB CYS 8 2HB CYS 8 8.649 9.175 1.726
47 H ALA 9 H ALA 9 8.391 10.177 -1.190
48 HA ALA 9 HA ALA 9 9.790 8.395 -2.854
49 1HB ALA 9 1HB ALA 9 8.405 9.357 -4.633
50 2HB ALA 9 3HB ALA 9 7.986 10.732 -3.594
51 3HB ALA 9 2HB ALA 9 7.452 9.087 -3.161
52 H TRP 10 H TRP 10 10.857 11.440 -1.818
53 HA TRP 10 HA TRP 10 12.612 12.428 -3.743
54 1HB TRP 10 1HB TRP 10 12.411 12.212 -0.773
55 2HB TRP 10 2HB TRP 10 14.049 12.257 -1.362
56 HD1 TRP 10 HD1 TRP 10 10.872 14.397 -1.360
57 HE1 TRP 10 HE1 TRP 10 11.506 16.841 -1.831
58 HE3 TRP 10 HE3 TRP 10 15.841 13.752 -2.361
59 HZ2 TRP 10 HZ2 TRP 10 13.826 18.272 -2.804
60 HZ3 TRP 10 HZ3 TRP 10 17.241 15.665 -3.088
61 HH2 TRP 10 HH2 TRP 10 16.236 17.927 -3.334
62 H GLU 11 H GLU 11 12.857 9.446 -1.771
63 HA GLU 11 HA GLU 11 14.610 8.439 -3.924
64 1HB GLU 11 1HB GLU 11 16.116 8.915 -2.087
65 2HB GLU 11 2HB GLU 11 15.059 8.077 -0.938
66 1HG GLU 11 1HG GLU 11 15.552 5.917 -2.012
67 2HG GLU 11 2HG GLU 11 16.563 6.727 -3.218
68 H CYS 12 H CYS 12 12.025 8.009 -1.974
69 HA CYS 12 HA CYS 12 10.738 6.257 -1.176
70 1HB CYS 12 1HB CYS 12 9.731 6.127 -3.200
71 2HB CYS 12 2HB CYS 12 11.184 5.689 -4.043
No H/Q in entry = 71
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 8.362 2.293 4.899
2 H2 GLY 1 H2 GLY 1 6.998 1.350 4.878
3 H3 GLY 1 H3 GLY 1 8.001 1.377 3.580
4 1HA GLY 1 2HA GLY 1 6.426 3.646 4.555
5 2HA GLY 1 1HA GLY 1 6.046 2.654 3.136
6 H CYS 2 H CYS 2 6.766 5.544 3.556
7 HA CYS 2 HA CYS 2 7.760 7.249 2.641
8 1HB CYS 2 1HB CYS 2 10.032 5.482 3.219
9 2HB CYS 2 2HB CYS 2 10.336 6.648 1.949
10 H CYS 3 H CYS 3 8.007 4.377 0.582
11 HA CYS 3 HA CYS 3 8.040 5.955 -1.906
12 1HB CYS 3 1HB CYS 3 7.137 3.161 -1.169
13 2HB CYS 3 2HB CYS 3 6.716 3.865 -2.718
14 H SER 4 H SER 4 5.674 4.868 0.508
15 HA SER 4 HA SER 4 3.300 5.747 -0.763
16 1HB SER 4 1HB SER 4 2.591 5.312 1.744
17 2HB SER 4 2HB SER 4 3.130 3.960 0.753
18 HG SER 4 HG SER 4 4.008 4.231 2.943
19 H ASP 5 H ASP 5 5.736 7.781 0.085
20 HA ASP 5 HA ASP 5 3.936 9.858 1.183
21 1HB ASP 5 1HB ASP 5 5.205 8.952 3.043
22 2HB ASP 5 2HB ASP 5 6.712 9.131 2.158
23 HA PRO 6 HA PRO 6 5.849 11.438 -2.615
24 1HB PRO 6 1HB PRO 6 4.768 13.989 -2.580
25 2HB PRO 6 2HB PRO 6 3.892 12.531 -3.147
26 1HG PRO 6 2HG PRO 6 3.790 13.845 -0.425
27 2HG PRO 6 1HG PRO 6 2.426 13.301 -1.448
28 1HD PRO 6 1HD PRO 6 3.343 11.777 0.577
29 2HD PRO 6 2HD PRO 6 2.871 11.011 -0.963
30 H ARG 7 H ARG 7 6.024 12.973 0.584
31 HA ARG 7 HA ARG 7 8.179 14.793 -0.234
32 1HB ARG 7 1HB ARG 7 6.270 15.373 1.340
33 2HB ARG 7 2HB ARG 7 7.009 14.311 2.543
34 1HG ARG 7 1HG ARG 7 8.938 15.753 2.732
35 2HG ARG 7 2HG ARG 7 8.524 16.605 1.232
36 1HD ARG 7 1HD ARG 7 8.005 18.044 3.063
37 2HD ARG 7 2HD ARG 7 6.485 17.504 2.335
38 HE ARG 7 HE ARG 7 7.386 15.868 4.569
39 1HH1 ARG 7 1HH1 ARG 7 6.162 15.972 6.552
40 2HH1 ARG 7 2HH1 ARG 7 5.094 17.295 6.828
41 1HH2 ARG 7 1HH2 ARG 7 5.791 18.898 3.783
42 2HH2 ARG 7 2HH2 ARG 7 4.667 18.902 5.095
43 H CYS 8 H CYS 8 8.120 11.594 0.251
44 HA CYS 8 HA CYS 8 10.925 11.529 1.279
45 1HB CYS 8 1HB CYS 8 9.085 10.607 2.835
46 2HB CYS 8 2HB CYS 8 8.909 9.316 1.652
47 H ALA 9 H ALA 9 8.502 10.302 -0.998
48 HA ALA 9 HA ALA 9 9.774 8.282 -2.288
49 1HB ALA 9 1HB ALA 9 8.218 8.793 -4.141
50 2HB ALA 9 2HB ALA 9 7.887 10.383 -3.433
51 3HB ALA 9 3HB ALA 9 7.422 8.899 -2.562
52 H TRP 10 H TRP 10 11.081 11.443 -2.360
53 HA TRP 10 HA TRP 10 12.435 11.666 -4.830
54 1HB TRP 10 1HB TRP 10 12.964 12.207 -1.870
55 2HB TRP 10 2HB TRP 10 14.204 12.438 -3.058
56 HD1 TRP 10 HD1 TRP 10 10.897 13.580 -4.417
57 HE1 TRP 10 HE1 TRP 10 10.879 16.137 -4.502
58 HE3 TRP 10 HE3 TRP 10 15.018 14.507 -1.532
59 HZ2 TRP 10 HZ2 TRP 10 12.361 18.327 -3.310
60 HZ3 TRP 10 HZ3 TRP 10 15.718 16.850 -1.053
61 HH2 TRP 10 HH2 TRP 10 14.406 18.742 -1.940
62 H GLU 11 H GLU 11 13.189 9.812 -1.810
63 HA GLU 11 HA GLU 11 14.863 7.962 -3.370
64 1HB GLU 11 1HB GLU 11 16.120 7.887 -1.155
65 2HB GLU 11 2HB GLU 11 16.340 9.325 -2.164
66 1HG GLU 11 1HG GLU 11 14.833 10.593 -0.662
67 2HG GLU 11 2HG GLU 11 14.540 9.128 0.290
68 H CYS 12 H CYS 12 12.116 8.272 -1.660
69 HA CYS 12 HA CYS 12 10.707 6.961 -0.456
70 1HB CYS 12 1HB CYS 12 10.337 5.852 -2.413
71 2HB CYS 12 2HB CYS 12 11.931 5.171 -2.486
No H/Q in entry = 71
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 7.945 1.522 4.272
2 H2 GLY 1 H2 GLY 1 6.413 0.896 4.210
3 H3 GLY 1 H3 GLY 1 7.335 1.021 2.841
4 1HA GLY 1 2HA GLY 1 6.214 3.206 4.434
5 2HA GLY 1 1HA GLY 1 5.689 2.698 2.820
6 H CYS 2 H CYS 2 6.513 5.298 3.541
7 HA CYS 2 HA CYS 2 7.673 7.063 2.997
8 1HB CYS 2 1HB CYS 2 9.621 5.311 3.856
9 2HB CYS 2 2HB CYS 2 10.272 5.870 2.328
10 H CYS 3 H CYS 3 8.217 4.377 0.722
11 HA CYS 3 HA CYS 3 8.142 5.951 -1.699
12 1HB CYS 3 1HB CYS 3 6.899 3.242 -1.164
13 2HB CYS 3 2HB CYS 3 7.448 3.859 -2.724
14 H SER 4 H SER 4 5.755 4.926 0.723
15 HA SER 4 HA SER 4 3.373 5.689 -0.646
16 1HB SER 4 1HB SER 4 2.552 5.249 1.766
17 2HB SER 4 2HB SER 4 3.295 3.901 0.901
18 HG SER 4 HG SER 4 4.017 4.200 3.088
19 H ASP 5 H ASP 5 5.810 7.796 0.274
20 HA ASP 5 HA ASP 5 3.805 9.828 0.988
21 1HB ASP 5 1HB ASP 5 4.954 9.202 3.058
22 2HB ASP 5 2HB ASP 5 6.511 9.600 2.317
23 HA PRO 6 HA PRO 6 5.796 11.426 -2.649
24 1HB PRO 6 1HB PRO 6 4.675 13.976 -2.688
25 2HB PRO 6 2HB PRO 6 3.885 12.480 -3.279
26 1HG PRO 6 2HG PRO 6 3.553 13.844 -0.610
27 2HG PRO 6 1HG PRO 6 2.294 13.126 -1.680
28 1HD PRO 6 1HD PRO 6 3.246 11.800 0.462
29 2HD PRO 6 2HD PRO 6 2.854 10.944 -1.061
30 H ARG 7 H ARG 7 6.137 13.017 0.556
31 HA ARG 7 HA ARG 7 8.391 14.588 -0.507
32 1HB ARG 7 1HB ARG 7 6.666 15.563 1.068
33 2HB ARG 7 2HB ARG 7 7.338 14.569 2.350
34 1HG ARG 7 1HG ARG 7 9.292 15.794 2.489
35 2HG ARG 7 2HG ARG 7 9.335 16.161 0.777
36 1HD ARG 7 1HD ARG 7 7.671 17.537 2.902
37 2HD ARG 7 2HD ARG 7 9.028 18.219 2.003
38 HE ARG 7 HE ARG 7 6.323 18.341 1.343
39 1HH1 ARG 7 1HH1 ARG 7 5.462 18.932 -0.602
40 2HH1 ARG 7 2HH1 ARG 7 6.316 18.801 -2.083
41 1HH2 ARG 7 1HH2 ARG 7 9.328 17.704 -0.453
42 2HH2 ARG 7 2HH2 ARG 7 8.638 18.134 -1.982
43 H CYS 8 H CYS 8 7.998 11.459 0.228
44 HA CYS 8 HA CYS 8 10.867 11.227 0.971
45 1HB CYS 8 1HB CYS 8 9.309 10.526 2.796
46 2HB CYS 8 2HB CYS 8 8.697 9.276 1.740
47 H ALA 9 H ALA 9 8.472 10.669 -1.395
48 HA ALA 9 HA ALA 9 9.633 8.613 -2.949
49 1HB ALA 9 1HB ALA 9 8.431 9.660 -4.795
50 2HB ALA 9 3HB ALA 9 8.268 11.177 -3.890
51 3HB ALA 9 2HB ALA 9 7.417 9.712 -3.342
52 H TRP 10 H TRP 10 11.085 11.590 -2.027
53 HA TRP 10 HA TRP 10 12.883 12.290 -3.994
54 1HB TRP 10 1HB TRP 10 12.729 12.259 -1.042
55 2HB TRP 10 2HB TRP 10 14.361 12.063 -1.610
56 HD1 TRP 10 HD1 TRP 10 11.429 14.548 -2.068
57 HE1 TRP 10 HE1 TRP 10 12.401 16.911 -2.267
58 HE3 TRP 10 HE3 TRP 10 16.416 13.375 -2.010
59 HZ2 TRP 10 HZ2 TRP 10 15.032 18.123 -2.578
60 HZ3 TRP 10 HZ3 TRP 10 18.124 15.140 -2.342
61 HH2 TRP 10 HH2 TRP 10 17.446 17.506 -2.616
62 H GLU 11 H GLU 11 13.174 9.420 -1.699
63 HA GLU 11 HA GLU 11 14.690 8.049 -3.785
64 1HB GLU 11 1HB GLU 11 15.917 7.128 -1.839
65 2HB GLU 11 2HB GLU 11 16.279 8.819 -2.194
66 1HG GLU 11 1HG GLU 11 15.052 9.530 -0.254
67 2HG GLU 11 2HG GLU 11 14.356 7.918 -0.014
68 H CYS 12 H CYS 12 11.788 8.119 -2.353
69 HA CYS 12 HA CYS 12 10.253 6.718 -1.544
70 1HB CYS 12 1HB CYS 12 9.869 5.787 -3.458
71 2HB CYS 12 2HB CYS 12 11.509 5.417 -3.805
No H/Q in entry = 71
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 12.515 2.511 1.325
2 H2 GLY 1 H2 GLY 1 11.919 1.000 1.063
3 H3 GLY 1 H3 GLY 1 11.504 2.253 0.062
4 1HA GLY 1 2HA GLY 1 10.817 2.027 2.902
5 2HA GLY 1 1HA GLY 1 9.696 1.755 1.550
6 H CYS 2 H CYS 2 8.529 3.495 2.795
7 HA CYS 2 HA CYS 2 7.871 5.553 3.296
8 1HB CYS 2 1HB CYS 2 10.461 5.971 3.617
9 2HB CYS 2 2HB CYS 2 10.263 6.953 2.173
10 H CYS 3 H CYS 3 8.440 4.502 0.173
11 HA CYS 3 HA CYS 3 7.906 6.553 -1.589
12 1HB CYS 3 1HB CYS 3 7.100 3.648 -1.544
13 2HB CYS 3 2HB CYS 3 6.608 4.689 -2.857
14 H SER 4 H SER 4 5.546 5.175 0.687
15 HA SER 4 HA SER 4 3.211 5.948 -0.807
16 1HB SER 4 1HB SER 4 3.900 4.870 1.901
17 2HB SER 4 2HB SER 4 2.449 5.867 1.862
18 HG SER 4 HG SER 4 1.431 4.498 0.608
19 H ASP 5 H ASP 5 5.550 7.969 0.611
20 HA ASP 5 HA ASP 5 3.618 10.205 0.917
21 1HB ASP 5 1HB ASP 5 4.580 9.833 3.071
22 2HB ASP 5 2HB ASP 5 6.199 9.643 2.401
23 HA PRO 6 HA PRO 6 6.134 11.082 -2.790
24 1HB PRO 6 1HB PRO 6 4.927 13.470 -3.517
25 2HB PRO 6 2HB PRO 6 4.316 11.847 -3.943
26 1HG PRO 6 2HG PRO 6 3.460 13.631 -1.655
27 2HG PRO 6 1HG PRO 6 2.423 12.703 -2.781
28 1HD PRO 6 1HD PRO 6 3.017 11.816 -0.288
29 2HD PRO 6 2HD PRO 6 2.887 10.671 -1.659
30 H ARG 7 H ARG 7 5.585 13.145 0.098
31 HA ARG 7 HA ARG 7 7.847 14.878 -0.552
32 1HB ARG 7 1HB ARG 7 5.652 14.743 1.512
33 2HB ARG 7 2HB ARG 7 7.172 15.403 2.043
34 1HG ARG 7 2HG ARG 7 5.801 17.216 1.281
35 2HG ARG 7 1HG ARG 7 7.154 17.018 0.178
36 1HD ARG 7 1HD ARG 7 5.274 17.466 -1.159
37 2HD ARG 7 2HD ARG 7 5.605 15.750 -1.385
38 HE ARG 7 HE ARG 7 3.688 15.969 0.690
39 1HH1 ARG 7 1HH1 ARG 7 1.415 15.851 0.315
40 2HH1 ARG 7 2HH1 ARG 7 0.764 16.414 -1.186
41 1HH2 ARG 7 1HH2 ARG 7 3.918 16.744 -2.786
42 2HH2 ARG 7 2HH2 ARG 7 2.221 16.571 -3.058
43 H CYS 8 H CYS 8 7.758 11.739 0.248
44 HA CYS 8 HA CYS 8 10.342 11.899 1.753
45 1HB CYS 8 1HB CYS 8 8.356 10.910 3.031
46 2HB CYS 8 2HB CYS 8 8.379 9.601 1.848
47 H ALA 9 H ALA 9 8.430 10.428 -0.839
48 HA ALA 9 HA ALA 9 10.076 8.342 -1.611
49 1HB ALA 9 1HB ALA 9 7.652 8.723 -2.175
50 2HB ALA 9 3HB ALA 9 8.640 8.283 -3.577
51 3HB ALA 9 2HB ALA 9 8.165 9.974 -3.327
52 H TRP 10 H TRP 10 11.657 10.948 -1.458
53 HA TRP 10 HA TRP 10 12.515 11.895 -3.976
54 1HB TRP 10 1HB TRP 10 13.424 11.886 -1.144
55 2HB TRP 10 2HB TRP 10 14.728 11.915 -2.295
56 HD1 TRP 10 HD1 TRP 10 11.351 13.826 -2.153
57 HE1 TRP 10 HE1 TRP 10 11.780 16.284 -2.615
58 HE3 TRP 10 HE3 TRP 10 16.452 13.652 -2.631
59 HZ2 TRP 10 HZ2 TRP 10 14.078 17.975 -3.201
60 HZ3 TRP 10 HZ3 TRP 10 17.739 15.713 -3.086
61 HH2 TRP 10 HH2 TRP 10 16.568 17.886 -3.376
62 H GLU 11 H GLU 11 13.517 9.080 -2.103
63 HA GLU 11 HA GLU 11 14.831 7.957 -4.489
64 1HB GLU 11 1HB GLU 11 16.539 9.196 -3.212
65 2HB GLU 11 2HB GLU 11 16.077 8.336 -1.746
66 1HG GLU 11 1HG GLU 11 16.880 6.213 -2.726
67 2HG GLU 11 2HG GLU 11 17.345 7.064 -4.209
68 H CYS 12 H CYS 12 13.481 7.561 -1.538
69 HA CYS 12 HA CYS 12 12.524 5.901 -0.243
70 1HB CYS 12 1HB CYS 12 10.893 6.286 -1.900
71 2HB CYS 12 2HB CYS 12 11.748 5.318 -3.068
No H/Q in entry = 71
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 7.097 1.242 3.466
2 H2 GLY 1 H2 GLY 1 7.623 0.887 1.946
3 H3 GLY 1 H3 GLY 1 8.354 0.185 3.245
4 1HA GLY 1 2HA GLY 1 9.668 1.973 2.250
5 2HA GLY 1 1HA GLY 1 9.265 2.224 3.960
6 H CYS 2 H CYS 2 9.791 4.476 3.225
7 HA CYS 2 HA CYS 2 7.462 5.878 3.840
8 1HB CYS 2 1HB CYS 2 8.917 7.821 3.758
9 2HB CYS 2 2HB CYS 2 9.786 6.480 4.485
10 H CYS 3 H CYS 3 8.513 5.023 0.771
11 HA CYS 3 HA CYS 3 8.322 7.017 -1.000
12 1HB CYS 3 2HB CYS 3 7.041 4.355 -1.624
13 2HB CYS 3 1HB CYS 3 8.105 5.332 -2.614
14 H SER 4 H SER 4 5.522 5.246 0.342
15 HA SER 4 HA SER 4 3.657 6.238 -1.639
16 1HB SER 4 1HB SER 4 3.684 4.377 0.674
17 2HB SER 4 2HB SER 4 2.164 5.272 0.507
18 HG SER 4 HG SER 4 3.488 3.837 -1.568
19 H ASP 5 H ASP 5 5.103 7.851 0.962
20 HA ASP 5 HA ASP 5 2.962 9.893 0.901
21 1HB ASP 5 1HB ASP 5 3.257 9.357 3.157
22 2HB ASP 5 2HB ASP 5 4.980 9.116 2.989
23 HA PRO 6 HA PRO 6 5.913 10.745 -2.191
24 1HB PRO 6 1HB PRO 6 5.034 13.152 -3.220
25 2HB PRO 6 2HB PRO 6 4.224 11.579 -3.482
26 1HG PRO 6 2HG PRO 6 3.557 13.697 -1.425
27 2HG PRO 6 1HG PRO 6 2.446 12.820 -2.529
28 1HD PRO 6 1HD PRO 6 2.788 12.042 0.033
29 2HD PRO 6 2HD PRO 6 2.617 10.825 -1.266
30 H ARG 7 H ARG 7 5.815 12.790 0.602
31 HA ARG 7 HA ARG 7 7.901 14.589 -0.166
32 1HB ARG 7 1HB ARG 7 6.416 13.771 2.296
33 2HB ARG 7 2HB ARG 7 8.034 14.352 2.606
34 1HG ARG 7 1HG ARG 7 5.989 15.915 0.999
35 2HG ARG 7 2HG ARG 7 6.205 16.020 2.757
36 1HD ARG 7 1HD ARG 7 8.708 16.483 2.230
37 2HD ARG 7 2HD ARG 7 8.135 16.873 0.590
38 HE ARG 7 HE ARG 7 6.429 18.129 2.342
39 1HH1 ARG 7 1HH1 ARG 7 6.651 20.443 2.866
40 2HH1 ARG 7 2HH1 ARG 7 8.261 21.054 3.148
41 1HH2 ARG 7 1HH2 ARG 7 10.009 18.202 2.155
42 2HH2 ARG 7 2HH2 ARG 7 10.085 19.846 2.730
43 H CYS 8 H CYS 8 7.908 11.380 0.417
44 HA CYS 8 HA CYS 8 10.886 11.221 0.677
45 1HB CYS 8 1HB CYS 8 9.472 10.601 2.702
46 2HB CYS 8 2HB CYS 8 8.942 9.197 1.778
47 H ALA 9 H ALA 9 8.883 11.209 -1.706
48 HA ALA 9 HA ALA 9 9.645 8.710 -3.061
49 1HB ALA 9 1HB ALA 9 8.621 9.807 -5.014
50 2HB ALA 9 3HB ALA 9 8.461 11.328 -4.119
51 3HB ALA 9 2HB ALA 9 7.529 9.888 -3.630
52 H TRP 10 H TRP 10 11.594 11.025 -1.868
53 HA TRP 10 HA TRP 10 13.100 12.096 -4.017
54 1HB TRP 10 1HB TRP 10 13.378 11.624 -1.056
55 2HB TRP 10 2HB TRP 10 14.857 11.759 -1.961
56 HD1 TRP 10 HD1 TRP 10 11.606 13.882 -2.161
57 HE1 TRP 10 HE1 TRP 10 12.276 16.351 -2.096
58 HE3 TRP 10 HE3 TRP 10 16.693 13.382 -1.688
59 HZ2 TRP 10 HZ2 TRP 10 14.652 17.919 -1.660
60 HZ3 TRP 10 HZ3 TRP 10 18.127 15.384 -1.472
61 HH2 TRP 10 HH2 TRP 10 17.116 17.658 -1.451
62 H GLU 11 H GLU 11 13.778 9.342 -1.865
63 HA GLU 11 HA GLU 11 15.431 8.074 -3.959
64 1HB GLU 11 1HB GLU 11 16.439 8.986 -1.718
65 2HB GLU 11 2HB GLU 11 15.565 7.673 -0.951
66 1HG GLU 11 1HG GLU 11 17.828 6.978 -1.237
67 2HG GLU 11 2HG GLU 11 16.838 6.032 -2.346
68 H CYS 12 H CYS 12 13.102 7.729 -1.693
69 HA CYS 12 HA CYS 12 11.640 6.220 -0.801
70 1HB CYS 12 1HB CYS 12 10.457 6.252 -2.722
71 2HB CYS 12 2HB CYS 12 11.749 5.607 -3.693
No H/Q in entry = 71
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 3.726 4.924 4.968
2 H2 GLY 1 H2 GLY 1 4.101 3.647 5.951
3 H3 GLY 1 H3 GLY 1 4.965 5.058 6.038
4 1HA GLY 1 2HA GLY 1 4.935 3.191 3.776
5 2HA GLY 1 1HA GLY 1 6.235 3.441 4.943
6 H CYS 2 H CYS 2 7.818 4.390 3.874
7 HA CYS 2 HA CYS 2 7.592 7.164 3.301
8 1HB CYS 2 1HB CYS 2 9.599 5.450 3.986
9 2HB CYS 2 2HB CYS 2 10.022 5.766 2.307
10 H CYS 3 H CYS 3 8.231 4.409 0.989
11 HA CYS 3 HA CYS 3 8.121 6.033 -1.319
12 1HB CYS 3 1HB CYS 3 7.327 3.130 -0.974
13 2HB CYS 3 2HB CYS 3 7.597 3.926 -2.522
14 H SER 4 H SER 4 5.490 5.321 0.775
15 HA SER 4 HA SER 4 3.420 5.957 -1.204
16 1HB SER 4 1HB SER 4 2.094 5.035 0.885
17 2HB SER 4 2HB SER 4 2.821 3.941 -0.302
18 HG SER 4 HG SER 4 3.966 4.781 2.147
19 H ASP 5 H ASP 5 5.474 7.816 0.331
20 HA ASP 5 HA ASP 5 3.444 9.744 1.237
21 1HB ASP 5 1HB ASP 5 4.520 8.741 3.245
22 2HB ASP 5 2HB ASP 5 6.102 9.239 2.634
23 HA PRO 6 HA PRO 6 5.753 11.131 -2.290
24 1HB PRO 6 1HB PRO 6 4.621 13.615 -2.753
25 2HB PRO 6 2HB PRO 6 3.896 12.047 -3.205
26 1HG PRO 6 2HG PRO 6 3.347 13.713 -0.733
27 2HG PRO 6 1HG PRO 6 2.162 12.924 -1.824
28 1HD PRO 6 1HD PRO 6 2.900 11.776 0.514
29 2HD PRO 6 2HD PRO 6 2.659 10.771 -0.951
30 H ARG 7 H ARG 7 5.847 12.830 0.758
31 HA ARG 7 HA ARG 7 7.866 14.746 -0.054
32 1HB ARG 7 1HB ARG 7 6.090 14.856 1.849
33 2HB ARG 7 2HB ARG 7 7.211 13.872 2.774
34 1HG ARG 7 2HG ARG 7 8.089 15.817 3.484
35 2HG ARG 7 1HG ARG 7 8.843 15.942 1.893
36 1HD ARG 7 1HD ARG 7 7.748 17.985 2.393
37 2HD ARG 7 2HD ARG 7 6.859 17.201 1.067
38 HE ARG 7 HE ARG 7 5.470 16.365 3.226
39 1HH1 ARG 7 1HH1 ARG 7 3.826 17.451 4.382
40 2HH1 ARG 7 2HH1 ARG 7 3.639 19.168 4.297
41 1HH2 ARG 7 1HH2 ARG 7 6.467 19.601 2.129
42 2HH2 ARG 7 2HH2 ARG 7 5.258 20.445 3.016
43 H CYS 8 H CYS 8 7.967 11.511 0.245
44 HA CYS 8 HA CYS 8 10.874 11.389 0.924
45 1HB CYS 8 1HB CYS 8 9.346 10.355 2.577
46 2HB CYS 8 2HB CYS 8 8.699 9.308 1.322
47 H ALA 9 H ALA 9 8.737 11.288 -1.644
48 HA ALA 9 HA ALA 9 9.760 9.128 -3.222
49 1HB ALA 9 1HB ALA 9 8.518 10.227 -5.026
50 2HB ALA 9 3HB ALA 9 8.396 11.724 -4.080
51 3HB ALA 9 2HB ALA 9 7.541 10.257 -3.552
52 H TRP 10 H TRP 10 11.872 10.949 -2.030
53 HA TRP 10 HA TRP 10 13.403 11.974 -4.284
54 1HB TRP 10 1HB TRP 10 13.676 11.654 -1.270
55 2HB TRP 10 2HB TRP 10 15.087 11.862 -2.283
56 HD1 TRP 10 HD1 TRP 10 11.684 13.665 -1.903
57 HE1 TRP 10 HE1 TRP 10 11.951 16.112 -2.400
58 HE3 TRP 10 HE3 TRP 10 16.722 13.722 -2.846
59 HZ2 TRP 10 HZ2 TRP 10 14.091 17.937 -3.129
60 HZ3 TRP 10 HZ3 TRP 10 17.846 15.854 -3.449
61 HH2 TRP 10 HH2 TRP 10 16.543 17.957 -3.607
62 H GLU 11 H GLU 11 14.673 9.705 -1.877
63 HA GLU 11 HA GLU 11 15.439 7.972 -4.064
64 1HB GLU 11 1HB GLU 11 16.949 8.629 -2.114
65 2HB GLU 11 2HB GLU 11 15.973 7.558 -1.098
66 1HG GLU 11 1HG GLU 11 16.585 5.631 -2.555
67 2HG GLU 11 2HG GLU 11 17.488 6.711 -3.619
68 H CYS 12 H CYS 12 12.931 8.040 -1.973
69 HA CYS 12 HA CYS 12 11.383 6.645 -1.045
70 1HB CYS 12 1HB CYS 12 10.265 6.498 -2.907
71 2HB CYS 12 2HB CYS 12 11.612 6.009 -3.885
No H/Q in entry = 71
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 8.601 0.679 2.409
2 H2 GLY 1 H2 GLY 1 9.017 0.898 3.980
3 H3 GLY 1 H3 GLY 1 7.752 -0.096 3.585
4 1HA GLY 1 2HA GLY 1 6.994 2.041 4.439
5 2HA GLY 1 1HA GLY 1 6.452 1.673 2.791
6 H CYS 2 H CYS 2 6.748 4.263 4.015
7 HA CYS 2 HA CYS 2 7.424 6.328 3.779
8 1HB CYS 2 1HB CYS 2 9.653 5.185 4.364
9 2HB CYS 2 2HB CYS 2 10.112 5.497 2.699
10 H CYS 3 H CYS 3 8.232 4.386 0.920
11 HA CYS 3 HA CYS 3 8.382 6.590 -0.896
12 1HB CYS 3 1HB CYS 3 9.300 4.286 -1.212
13 2HB CYS 3 2HB CYS 3 7.666 3.711 -1.531
14 H SER 4 H SER 4 5.510 5.287 0.635
15 HA SER 4 HA SER 4 3.645 6.041 -1.403
16 1HB SER 4 1HB SER 4 2.147 5.832 0.635
17 2HB SER 4 2HB SER 4 3.087 4.403 0.186
18 HG SER 4 HG SER 4 3.261 4.581 2.319
19 H ASP 5 H ASP 5 5.578 7.794 0.947
20 HA ASP 5 HA ASP 5 3.809 10.141 1.056
21 1HB ASP 5 1HB ASP 5 5.073 9.436 3.055
22 2HB ASP 5 2HB ASP 5 6.581 9.571 2.182
23 HA PRO 6 HA PRO 6 6.066 11.395 -2.751
24 1HB PRO 6 1HB PRO 6 5.198 14.029 -2.813
25 2HB PRO 6 2HB PRO 6 4.319 12.637 -3.483
26 1HG PRO 6 2HG PRO 6 3.930 13.976 -0.812
27 2HG PRO 6 1HG PRO 6 2.680 13.447 -1.990
28 1HD PRO 6 1HD PRO 6 3.298 11.963 0.176
29 2HD PRO 6 2HD PRO 6 2.956 11.173 -1.395
30 H ARG 7 H ARG 7 6.031 13.051 0.412
31 HA ARG 7 HA ARG 7 8.418 14.608 -0.148
32 1HB ARG 7 1HB ARG 7 6.441 15.266 1.306
33 2HB ARG 7 2HB ARG 7 7.011 14.103 2.503
34 1HG ARG 7 1HG ARG 7 8.999 15.395 2.891
35 2HG ARG 7 2HG ARG 7 8.668 16.436 1.481
36 1HD ARG 7 1HD ARG 7 6.692 17.348 2.522
37 2HD ARG 7 2HD ARG 7 6.755 16.146 3.830
38 HE ARG 7 HE ARG 7 9.043 17.147 4.288
39 1HH1 ARG 7 1HH1 ARG 7 9.832 18.964 5.210
40 2HH1 ARG 7 2HH1 ARG 7 9.095 20.535 5.068
41 1HH2 ARG 7 1HH2 ARG 7 6.247 19.171 3.330
42 2HH2 ARG 7 2HH2 ARG 7 6.868 20.579 4.136
43 H CYS 8 H CYS 8 8.129 11.396 0.189
44 HA CYS 8 HA CYS 8 10.928 11.147 1.216
45 1HB CYS 8 1HB CYS 8 9.252 10.195 2.791
46 2HB CYS 8 2HB CYS 8 8.695 9.129 1.510
47 H ALA 9 H ALA 9 8.419 10.110 -1.084
48 HA ALA 9 HA ALA 9 9.715 8.141 -2.515
49 1HB ALA 9 1HB ALA 9 8.033 8.603 -4.205
50 2HB ALA 9 3HB ALA 9 7.775 10.234 -3.567
51 3HB ALA 9 2HB ALA 9 7.302 8.813 -2.608
52 H TRP 10 H TRP 10 10.900 11.372 -2.426
53 HA TRP 10 HA TRP 10 12.044 11.665 -5.008
54 1HB TRP 10 1HB TRP 10 12.623 12.517 -2.143
55 2HB TRP 10 2HB TRP 10 13.794 12.761 -3.401
56 HD1 TRP 10 HD1 TRP 10 9.977 13.380 -3.718
57 HE1 TRP 10 HE1 TRP 10 9.588 15.773 -4.475
58 HE3 TRP 10 HE3 TRP 10 14.817 15.059 -3.601
59 HZ2 TRP 10 HZ2 TRP 10 11.158 18.168 -4.902
60 HZ3 TRP 10 HZ3 TRP 10 15.347 17.396 -4.229
61 HH2 TRP 10 HH2 TRP 10 13.520 18.965 -4.879
62 H GLU 11 H GLU 11 13.431 10.255 -1.906
63 HA GLU 11 HA GLU 11 15.177 8.616 -3.560
64 1HB GLU 11 1HB GLU 11 16.550 8.542 -1.671
65 2HB GLU 11 2HB GLU 11 16.106 10.213 -1.937
66 1HG GLU 11 1HG GLU 11 14.409 10.009 -0.086
67 2HG GLU 11 2HG GLU 11 14.947 8.342 0.190
68 H CYS 12 H CYS 12 12.370 8.287 -1.961
69 HA CYS 12 HA CYS 12 10.928 6.595 -1.496
70 1HB CYS 12 1HB CYS 12 10.891 6.783 -3.855
71 2HB CYS 12 2HB CYS 12 12.347 5.849 -4.024
No H/Q in entry = 71
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 8.582 2.043 3.853
2 H2 GLY 1 H2 GLY 1 8.644 3.137 5.083
3 H3 GLY 1 H3 GLY 1 7.516 1.938 5.113
4 1HA GLY 1 2HA GLY 1 6.578 4.070 4.510
5 2HA GLY 1 1HA GLY 1 6.378 2.848 3.237
6 H CYS 2 H CYS 2 6.877 5.907 3.476
7 HA CYS 2 HA CYS 2 7.903 7.634 2.624
8 1HB CYS 2 1HB CYS 2 10.170 5.820 3.026
9 2HB CYS 2 2HB CYS 2 10.457 7.062 1.817
10 H CYS 3 H CYS 3 8.324 4.814 0.552
11 HA CYS 3 HA CYS 3 8.317 6.277 -1.980
12 1HB CYS 3 1HB CYS 3 7.232 3.515 -1.295
13 2HB CYS 3 2HB CYS 3 7.468 4.139 -2.921
14 H SER 4 H SER 4 5.852 5.039 0.285
15 HA SER 4 HA SER 4 3.580 5.986 -1.197
16 1HB SER 4 1HB SER 4 2.509 4.897 0.856
17 2HB SER 4 2HB SER 4 3.475 3.878 -0.197
18 HG SER 4 HG SER 4 3.981 3.424 1.869
19 H ASP 5 H ASP 5 5.743 7.920 0.126
20 HA ASP 5 HA ASP 5 3.742 9.636 1.479
21 1HB ASP 5 1HB ASP 5 5.284 8.684 3.146
22 2HB ASP 5 2HB ASP 5 6.651 9.307 2.225
23 HA PRO 6 HA PRO 6 5.124 11.599 -2.302
24 1HB PRO 6 1HB PRO 6 3.702 13.950 -2.193
25 2HB PRO 6 2HB PRO 6 2.995 12.358 -2.605
26 1HG PRO 6 2HG PRO 6 3.024 13.748 0.091
27 2HG PRO 6 1HG PRO 6 1.622 13.016 -0.757
28 1HD PRO 6 1HD PRO 6 2.978 11.665 1.160
29 2HD PRO 6 2HD PRO 6 2.381 10.816 -0.302
30 H ARG 7 H ARG 7 5.723 12.797 0.932
31 HA ARG 7 HA ARG 7 7.445 14.959 -0.013
32 1HB ARG 7 1HB ARG 7 5.898 14.810 2.167
33 2HB ARG 7 2HB ARG 7 7.262 13.910 2.827
34 1HG ARG 7 2HG ARG 7 7.724 16.071 3.531
35 2HG ARG 7 1HG ARG 7 8.678 15.996 2.059
36 1HD ARG 7 2HD ARG 7 7.550 18.055 1.914
37 2HD ARG 7 1HD ARG 7 6.620 17.005 0.857
38 HE ARG 7 HE ARG 7 5.924 17.676 3.691
39 1HH1 ARG 7 1HH1 ARG 7 3.850 17.961 4.243
40 2HH1 ARG 7 2HH1 ARG 7 2.555 18.028 3.083
41 1HH2 ARG 7 1HH2 ARG 7 4.668 17.011 0.382
42 2HH2 ARG 7 2HH2 ARG 7 3.037 17.388 0.878
43 H CYS 8 H CYS 8 7.683 11.747 0.514
44 HA CYS 8 HA CYS 8 10.627 11.824 1.159
45 1HB CYS 8 1HB CYS 8 9.005 11.087 3.011
46 2HB CYS 8 2HB CYS 8 8.718 9.660 2.004
47 H ALA 9 H ALA 9 8.440 10.785 -1.242
48 HA ALA 9 HA ALA 9 9.517 8.326 -1.962
49 1HB ALA 9 1HB ALA 9 8.371 8.673 -4.090
50 2HB ALA 9 2HB ALA 9 7.373 9.270 -2.753
51 3HB ALA 9 3HB ALA 9 8.264 10.420 -3.785
52 H TRP 10 H TRP 10 11.674 10.711 -1.741
53 HA TRP 10 HA TRP 10 12.665 11.276 -4.309
54 1HB TRP 10 1HB TRP 10 13.451 11.685 -1.457
55 2HB TRP 10 2HB TRP 10 14.774 11.629 -2.591
56 HD1 TRP 10 HD1 TRP 10 11.341 13.310 -3.171
57 HE1 TRP 10 HE1 TRP 10 11.751 15.727 -3.907
58 HE3 TRP 10 HE3 TRP 10 16.384 13.506 -2.448
59 HZ2 TRP 10 HZ2 TRP 10 13.999 17.583 -3.995
60 HZ3 TRP 10 HZ3 TRP 10 17.645 15.618 -2.804
61 HH2 TRP 10 HH2 TRP 10 16.463 17.654 -3.574
62 H GLU 11 H GLU 11 14.382 9.222 -1.818
63 HA GLU 11 HA GLU 11 15.679 7.915 -4.063
64 1HB GLU 11 1HB GLU 11 16.875 6.697 -2.177
65 2HB GLU 11 2HB GLU 11 17.356 8.320 -2.619
66 1HG GLU 11 1HG GLU 11 15.686 7.555 -0.209
67 2HG GLU 11 2HG GLU 11 17.412 7.843 -0.210
68 H CYS 12 H CYS 12 13.602 7.275 -1.618
69 HA CYS 12 HA CYS 12 11.997 5.762 -1.060
70 1HB CYS 12 1HB CYS 12 10.690 6.504 -2.709
71 2HB CYS 12 2HB CYS 12 11.820 6.118 -3.983
No H/Q in entry = 71
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 10.240 1.403 2.788
2 H2 GLY 1 H2 GLY 1 11.168 2.127 3.950
3 H3 GLY 1 H3 GLY 1 10.297 0.769 4.309
4 1HA GLY 1 2HA GLY 1 9.238 2.719 5.202
5 2HA GLY 1 1HA GLY 1 8.254 1.878 3.987
6 H CYS 2 H CYS 2 7.476 4.286 4.345
7 HA CYS 2 HA CYS 2 6.943 6.233 3.517
8 1HB CYS 2 2HB CYS 2 8.438 7.883 3.665
9 2HB CYS 2 1HB CYS 2 9.223 6.650 4.635
10 H CYS 3 H CYS 3 8.252 4.194 1.097
11 HA CYS 3 HA CYS 3 8.505 5.852 -1.089
12 1HB CYS 3 1HB CYS 3 7.661 3.022 -0.694
13 2HB CYS 3 2HB CYS 3 7.175 3.735 -2.215
14 H SER 4 H SER 4 5.384 5.048 0.468
15 HA SER 4 HA SER 4 3.760 6.018 -1.688
16 1HB SER 4 1HB SER 4 2.080 5.827 0.335
17 2HB SER 4 2HB SER 4 2.738 4.392 -0.450
18 HG SER 4 HG SER 4 3.472 5.538 2.042
19 H ASP 5 H ASP 5 5.625 7.708 0.728
20 HA ASP 5 HA ASP 5 3.684 9.901 1.032
21 1HB ASP 5 1HB ASP 5 4.932 9.232 2.996
22 2HB ASP 5 2HB ASP 5 6.471 9.401 2.141
23 HA PRO 6 HA PRO 6 5.512 11.803 -2.536
24 1HB PRO 6 1HB PRO 6 4.681 14.421 -2.325
25 2HB PRO 6 2HB PRO 6 3.614 13.068 -2.783
26 1HG PRO 6 2HG PRO 6 3.990 14.282 -0.031
27 2HG PRO 6 1HG PRO 6 2.453 13.938 -0.888
28 1HD PRO 6 1HD PRO 6 3.432 12.206 0.938
29 2HD PRO 6 2HD PRO 6 2.712 11.585 -0.575
30 H ARG 7 H ARG 7 6.343 13.161 0.730
31 HA ARG 7 HA ARG 7 8.516 14.692 -0.493
32 1HB ARG 7 1HB ARG 7 6.867 15.346 1.564
33 2HB ARG 7 2HB ARG 7 8.111 14.515 2.477
34 1HG ARG 7 2HG ARG 7 9.337 16.382 2.447
35 2HG ARG 7 1HG ARG 7 9.543 16.221 0.709
36 1HD ARG 7 1HD ARG 7 7.398 17.801 2.175
37 2HD ARG 7 2HD ARG 7 8.722 18.439 1.191
38 HE ARG 7 HE ARG 7 7.275 16.798 -0.525
39 1HH1 ARG 7 1HH1 ARG 7 5.561 17.337 -1.775
40 2HH1 ARG 7 2HH1 ARG 7 4.584 18.757 -1.478
41 1HH2 ARG 7 1HH2 ARG 7 6.625 19.797 1.281
42 2HH2 ARG 7 2HH2 ARG 7 5.298 20.264 0.282
43 H CYS 8 H CYS 8 8.077 11.594 0.388
44 HA CYS 8 HA CYS 8 10.988 11.170 1.010
45 1HB CYS 8 1HB CYS 8 9.167 10.691 2.780
46 2HB CYS 8 2HB CYS 8 8.774 9.287 1.804
47 H ALA 9 H ALA 9 8.305 10.283 -1.123
48 HA ALA 9 HA ALA 9 9.524 8.166 -2.511
49 1HB ALA 9 1HB ALA 9 8.087 8.907 -4.381
50 2HB ALA 9 3HB ALA 9 7.787 10.449 -3.550
51 3HB ALA 9 2HB ALA 9 7.207 8.920 -2.847
52 H TRP 10 H TRP 10 10.860 11.303 -2.135
53 HA TRP 10 HA TRP 10 12.063 11.869 -4.598
54 1HB TRP 10 1HB TRP 10 12.419 12.585 -1.747
55 2HB TRP 10 2HB TRP 10 13.923 12.537 -2.630
56 HD1 TRP 10 HD1 TRP 10 10.417 14.097 -3.110
57 HE1 TRP 10 HE1 TRP 10 10.641 16.324 -4.321
58 HE3 TRP 10 HE3 TRP 10 15.495 14.104 -3.809
59 HZ2 TRP 10 HZ2 TRP 10 12.777 17.874 -5.576
60 HZ3 TRP 10 HZ3 TRP 10 16.597 15.958 -5.022
61 HH2 TRP 10 HH2 TRP 10 15.240 17.838 -5.950
62 H GLU 11 H GLU 11 13.497 9.820 -1.857
63 HA GLU 11 HA GLU 11 14.806 8.302 -3.989
64 1HB GLU 11 1HB GLU 11 16.638 8.150 -2.173
65 2HB GLU 11 2HB GLU 11 16.576 9.563 -3.221
66 1HG GLU 11 1HG GLU 11 17.084 10.127 -0.865
67 2HG GLU 11 2HG GLU 11 15.619 10.908 -1.447
68 H CYS 12 H CYS 12 12.909 8.268 -1.337
69 HA CYS 12 HA CYS 12 12.005 6.900 0.138
70 1HB CYS 12 1HB CYS 12 10.734 6.248 -1.662
71 2HB CYS 12 2HB CYS 12 12.050 5.357 -2.407
No H/Q in entry = 71
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 6.280 2.779 6.440
2 H2 GLY 1 H2 GLY 1 5.336 3.008 5.110
3 H3 GLY 1 H3 GLY 1 5.822 1.486 5.526
4 1HA GLY 1 2HA GLY 1 7.091 2.288 3.665
5 2HA GLY 1 1HA GLY 1 8.116 2.048 5.093
6 H CYS 2 H CYS 2 7.983 4.017 2.680
7 HA CYS 2 HA CYS 2 7.576 6.627 3.980
8 1HB CYS 2 1HB CYS 2 10.061 5.592 4.246
9 2HB CYS 2 2HB CYS 2 10.242 6.303 2.652
10 H CYS 3 H CYS 3 8.746 4.849 1.079
11 HA CYS 3 HA CYS 3 8.608 6.787 -0.874
12 1HB CYS 3 1HB CYS 3 9.535 4.590 -1.241
13 2HB CYS 3 2HB CYS 3 7.985 3.813 -0.923
14 H SER 4 H SER 4 5.887 5.196 0.651
15 HA SER 4 HA SER 4 3.962 5.630 -1.440
16 1HB SER 4 1HB SER 4 4.092 4.498 1.318
17 2HB SER 4 2HB SER 4 2.551 5.268 0.928
18 HG SER 4 HG SER 4 2.133 3.901 -0.595
19 H ASP 5 H ASP 5 5.471 7.970 0.532
20 HA ASP 5 HA ASP 5 3.125 9.760 0.242
21 1HB ASP 5 1HB ASP 5 3.561 9.433 2.636
22 2HB ASP 5 2HB ASP 5 5.267 9.835 2.400
23 HA PRO 6 HA PRO 6 5.916 11.386 -2.703
24 1HB PRO 6 1HB PRO 6 4.947 13.939 -3.125
25 2HB PRO 6 2HB PRO 6 4.189 12.445 -3.753
26 1HG PRO 6 1HG PRO 6 3.479 13.979 -1.239
27 2HG PRO 6 2HG PRO 6 2.371 13.352 -2.503
28 1HD PRO 6 1HD PRO 6 2.785 12.007 -0.201
29 2HD PRO 6 2HD PRO 6 2.652 11.117 -1.739
30 H ARG 7 H ARG 7 5.618 13.069 0.472
31 HA ARG 7 HA ARG 7 7.968 14.677 -0.120
32 1HB ARG 7 1HB ARG 7 5.859 15.064 1.621
33 2HB ARG 7 2HB ARG 7 7.047 14.333 2.694
34 1HG ARG 7 2HG ARG 7 7.711 16.513 2.903
35 2HG ARG 7 1HG ARG 7 8.695 16.090 1.519
36 1HD ARG 7 1HD ARG 7 6.290 17.845 1.731
37 2HD ARG 7 2HD ARG 7 7.796 18.162 0.892
38 HE ARG 7 HE ARG 7 5.356 16.987 -0.125
39 1HH1 ARG 7 1HH1 ARG 7 5.116 16.397 -2.213
40 2HH1 ARG 7 2HH1 ARG 7 6.461 16.181 -3.309
41 1HH2 ARG 7 1HH2 ARG 7 8.848 17.246 -0.851
42 2HH2 ARG 7 2HH2 ARG 7 8.628 16.751 -2.504
43 H CYS 8 H CYS 8 7.632 11.485 0.380
44 HA CYS 8 HA CYS 8 10.487 11.362 1.185
45 1HB CYS 8 1HB CYS 8 8.880 10.633 3.022
46 2HB CYS 8 2HB CYS 8 8.509 9.258 1.994
47 H ALA 9 H ALA 9 8.634 11.174 -1.410
48 HA ALA 9 HA ALA 9 9.812 8.837 -2.773
49 1HB ALA 9 1HB ALA 9 8.836 9.888 -4.743
50 2HB ALA 9 2HB ALA 9 8.490 11.379 -3.843
51 3HB ALA 9 3HB ALA 9 7.634 9.878 -3.436
52 H TRP 10 H TRP 10 11.854 10.058 -1.328
53 HA TRP 10 HA TRP 10 13.301 12.039 -2.776
54 1HB TRP 10 1HB TRP 10 13.686 10.274 -0.418
55 2HB TRP 10 2HB TRP 10 15.154 10.576 -1.327
56 HD1 TRP 10 HD1 TRP 10 12.265 12.599 0.212
57 HE1 TRP 10 HE1 TRP 10 13.091 14.919 0.847
58 HE3 TRP 10 HE3 TRP 10 17.031 12.236 -1.609
59 HZ2 TRP 10 HZ2 TRP 10 15.554 16.463 0.551
60 HZ3 TRP 10 HZ3 TRP 10 18.533 14.192 -1.575
61 HH2 TRP 10 HH2 TRP 10 17.809 16.319 -0.492
62 H GLU 11 H GLU 11 14.008 8.579 -2.355
63 HA GLU 11 HA GLU 11 14.497 8.300 -5.265
64 1HB GLU 11 1HB GLU 11 16.611 8.676 -4.237
65 2HB GLU 11 2HB GLU 11 16.305 7.552 -2.940
66 1HG GLU 11 1HG GLU 11 16.347 6.564 -5.814
67 2HG GLU 11 2HG GLU 11 17.855 6.991 -5.021
68 H CYS 12 H CYS 12 12.935 7.374 -2.573
69 HA CYS 12 HA CYS 12 11.452 5.908 -1.880
70 1HB CYS 12 1HB CYS 12 10.088 6.475 -3.583
71 2HB CYS 12 2HB CYS 12 11.167 5.919 -4.816
No H/Q in entry = 71
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 7.689 0.769 4.328
2 H2 GLY 1 H2 GLY 1 9.170 0.390 4.943
3 H3 GLY 1 H3 GLY 1 8.288 1.643 5.579
4 1HA GLY 1 2HA GLY 1 9.404 1.537 2.860
5 2HA GLY 1 1HA GLY 1 10.060 2.486 4.205
6 H CYS 2 H CYS 2 9.658 4.559 3.533
7 HA CYS 2 HA CYS 2 6.920 5.450 3.944
8 1HB CYS 2 1HB CYS 2 7.884 7.707 3.786
9 2HB CYS 2 2HB CYS 2 8.617 6.690 4.999
10 H CYS 3 H CYS 3 7.939 4.067 1.223
11 HA CYS 3 HA CYS 3 7.734 6.029 -0.755
12 1HB CYS 3 1HB CYS 3 7.185 3.071 -0.958
13 2HB CYS 3 2HB CYS 3 7.427 4.155 -2.321
14 H SER 4 H SER 4 5.160 5.362 1.222
15 HA SER 4 HA SER 4 3.006 5.621 -0.712
16 1HB SER 4 1HB SER 4 1.846 5.935 1.633
17 2HB SER 4 2HB SER 4 2.404 4.342 1.119
18 HG SER 4 HG SER 4 3.313 4.426 3.026
19 H ASP 5 H ASP 5 5.389 7.692 0.573
20 HA ASP 5 HA ASP 5 3.586 10.019 0.877
21 1HB ASP 5 1HB ASP 5 4.733 9.178 2.876
22 2HB ASP 5 2HB ASP 5 6.283 9.266 2.053
23 HA PRO 6 HA PRO 6 5.703 11.539 -2.763
24 1HB PRO 6 1HB PRO 6 4.870 14.140 -2.861
25 2HB PRO 6 2HB PRO 6 3.787 12.752 -3.184
26 1HG PRO 6 2HG PRO 6 4.126 14.276 -0.579
27 2HG PRO 6 1HG PRO 6 2.608 13.850 -1.427
28 1HD PRO 6 1HD PRO 6 3.565 12.337 0.625
29 2HD PRO 6 2HD PRO 6 2.773 11.578 -0.791
30 H ARG 7 H ARG 7 6.353 12.907 0.410
31 HA ARG 7 HA ARG 7 8.661 14.402 -0.582
32 1HB ARG 7 1HB ARG 7 6.958 15.103 1.279
33 2HB ARG 7 2HB ARG 7 7.842 14.031 2.338
34 1HG ARG 7 1HG ARG 7 9.146 16.296 0.774
35 2HG ARG 7 2HG ARG 7 8.342 16.570 2.308
36 1HD ARG 7 1HD ARG 7 10.796 14.846 1.911
37 2HD ARG 7 2HD ARG 7 10.728 16.449 2.612
38 HE ARG 7 HE ARG 7 8.997 14.622 4.029
39 1HH1 ARG 7 1HH1 ARG 7 9.625 13.878 6.096
40 2HH1 ARG 7 2HH1 ARG 7 11.314 13.857 6.541
41 1HH2 ARG 7 1HH2 ARG 7 12.410 15.410 3.566
42 2HH2 ARG 7 2HH2 ARG 7 12.922 14.925 5.139
43 H CYS 8 H CYS 8 7.873 11.381 0.367
44 HA CYS 8 HA CYS 8 10.605 10.496 1.173
45 1HB CYS 8 1HB CYS 8 8.631 9.373 2.149
46 2HB CYS 8 2HB CYS 8 8.143 8.851 0.543
47 H ALA 9 H ALA 9 8.613 10.677 -1.733
48 HA ALA 9 HA ALA 9 10.182 9.070 -3.440
49 1HB ALA 9 1HB ALA 9 9.045 10.389 -5.250
50 2HB ALA 9 3HB ALA 9 8.325 11.396 -3.990
51 3HB ALA 9 2HB ALA 9 7.961 9.675 -4.058
52 H TRP 10 H TRP 10 11.451 11.664 -1.770
53 HA TRP 10 HA TRP 10 13.330 12.823 -3.515
54 1HB TRP 10 1HB TRP 10 13.087 12.089 -0.624
55 2HB TRP 10 2HB TRP 10 14.722 12.010 -1.232
56 HD1 TRP 10 HD1 TRP 10 11.832 14.554 -1.095
57 HE1 TRP 10 HE1 TRP 10 12.805 16.908 -0.877
58 HE3 TRP 10 HE3 TRP 10 16.816 13.399 -1.499
59 HZ2 TRP 10 HZ2 TRP 10 15.431 18.159 -1.006
60 HZ3 TRP 10 HZ3 TRP 10 18.529 15.188 -1.417
61 HH2 TRP 10 HH2 TRP 10 17.843 17.570 -1.212
62 H GLU 11 H GLU 11 13.193 9.563 -2.015
63 HA GLU 11 HA GLU 11 14.804 8.557 -4.269
64 1HB GLU 11 1HB GLU 11 16.345 9.196 -2.352
65 2HB GLU 11 2HB GLU 11 15.503 8.029 -1.343
66 1HG GLU 11 2HG GLU 11 17.601 7.126 -2.070
67 2HG GLU 11 1HG GLU 11 16.317 6.184 -2.806
68 H CYS 12 H CYS 12 12.195 8.268 -2.354
69 HA CYS 12 HA CYS 12 10.808 6.798 -1.447
70 1HB CYS 12 1HB CYS 12 9.845 6.356 -3.387
71 2HB CYS 12 2HB CYS 12 11.303 5.766 -4.155
No H/Q in entry = 71
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 9.515 1.350 2.424
2 H2 GLY 1 H2 GLY 1 10.915 1.003 3.215
3 H3 GLY 1 H3 GLY 1 9.715 1.837 3.981
4 1HA GLY 1 2HA GLY 1 11.356 2.766 1.730
5 2HA GLY 1 1HA GLY 1 11.393 3.386 3.393
6 H CYS 2 H CYS 2 10.874 5.509 2.563
7 HA CYS 2 HA CYS 2 8.177 6.122 2.981
8 1HB CYS 2 1HB CYS 2 8.903 8.364 2.841
9 2HB CYS 2 2HB CYS 2 10.180 7.449 3.619
10 H CYS 3 H CYS 3 8.481 4.586 0.375
11 HA CYS 3 HA CYS 3 8.270 6.253 -1.896
12 1HB CYS 3 1HB CYS 3 8.675 3.705 -1.734
13 2HB CYS 3 2HB CYS 3 6.930 3.551 -1.529
14 H SER 4 H SER 4 5.755 5.064 0.341
15 HA SER 4 HA SER 4 3.522 5.926 -1.239
16 1HB SER 4 1HB SER 4 2.428 5.194 1.023
17 2HB SER 4 2HB SER 4 3.197 3.994 -0.015
18 HG SER 4 HG SER 4 4.109 5.092 2.398
19 H ASP 5 H ASP 5 5.715 7.869 0.394
20 HA ASP 5 HA ASP 5 3.591 9.834 1.051
21 1HB ASP 5 1HB ASP 5 4.672 9.274 3.108
22 2HB ASP 5 2HB ASP 5 6.276 9.440 2.378
23 HA PRO 6 HA PRO 6 5.877 11.495 -2.524
24 1HB PRO 6 1HB PRO 6 4.236 13.618 -3.105
25 2HB PRO 6 2HB PRO 6 3.860 11.922 -3.544
26 1HG PRO 6 2HG PRO 6 2.885 13.484 -1.137
27 2HG PRO 6 1HG PRO 6 1.921 12.499 -2.284
28 1HD PRO 6 1HD PRO 6 2.772 11.527 0.108
29 2HD PRO 6 2HD PRO 6 2.712 10.473 -1.338
30 H ARG 7 H ARG 7 5.077 13.063 0.566
31 HA ARG 7 HA ARG 7 6.863 15.303 0.109
32 1HB ARG 7 1HB ARG 7 4.886 15.203 1.759
33 2HB ARG 7 2HB ARG 7 5.895 14.212 2.775
34 1HG ARG 7 1HG ARG 7 6.959 16.884 1.813
35 2HG ARG 7 2HG ARG 7 5.640 16.868 2.957
36 1HD ARG 7 1HD ARG 7 7.222 15.105 4.247
37 2HD ARG 7 2HD ARG 7 8.483 16.013 3.408
38 HE ARG 7 HE ARG 7 6.610 16.895 5.437
39 1HH1 ARG 7 1HH1 ARG 7 7.175 18.916 6.523
40 2HH1 ARG 7 2HH1 ARG 7 8.125 20.103 5.698
41 1HH2 ARG 7 1HH2 ARG 7 8.938 17.973 2.945
42 2HH2 ARG 7 2HH2 ARG 7 9.142 19.549 3.612
43 H CYS 8 H CYS 8 7.483 12.109 0.277
44 HA CYS 8 HA CYS 8 10.309 12.682 0.908
45 1HB CYS 8 1HB CYS 8 9.232 11.460 2.745
46 2HB CYS 8 2HB CYS 8 8.781 10.169 1.659
47 H ALA 9 H ALA 9 8.752 9.692 -0.267
48 HA ALA 9 HA ALA 9 9.661 8.292 -1.964
49 1HB ALA 9 1HB ALA 9 8.819 9.062 -4.111
50 2HB ALA 9 2HB ALA 9 8.655 10.715 -3.482
51 3HB ALA 9 3HB ALA 9 7.654 9.404 -2.818
52 H TRP 10 H TRP 10 11.904 9.717 -0.747
53 HA TRP 10 HA TRP 10 13.364 11.425 -2.291
54 1HB TRP 10 1HB TRP 10 13.798 9.563 0.005
55 2HB TRP 10 2HB TRP 10 15.238 9.944 -0.888
56 HD1 TRP 10 HD1 TRP 10 12.450 12.494 -0.011
57 HE1 TRP 10 HE1 TRP 10 13.505 14.388 1.354
58 HE3 TRP 10 HE3 TRP 10 17.196 10.612 0.476
59 HZ2 TRP 10 HZ2 TRP 10 16.116 15.081 2.366
60 HZ3 TRP 10 HZ3 TRP 10 18.953 11.955 1.620
61 HH2 TRP 10 HH2 TRP 10 18.425 14.180 2.538
62 H GLU 11 H GLU 11 14.162 7.941 -1.893
63 HA GLU 11 HA GLU 11 14.657 7.718 -4.794
64 1HB GLU 11 1HB GLU 11 15.736 5.600 -4.078
65 2HB GLU 11 2HB GLU 11 16.616 7.037 -3.555
66 1HG GLU 11 1HG GLU 11 15.838 6.773 -1.303
67 2HG GLU 11 2HG GLU 11 14.684 5.517 -1.768
68 H CYS 12 H CYS 12 12.252 7.488 -2.626
69 HA CYS 12 HA CYS 12 10.579 6.182 -1.977
70 1HB CYS 12 1HB CYS 12 9.435 6.442 -3.801
71 2HB CYS 12 2HB CYS 12 10.703 6.042 -4.864
No H/Q in entry = 71