Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8877 | 1n09 RC | 5613 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 1 HA1 ACE 1 11.713 0.996 -10.602
2 2H ACE 1 HA2 ACE 1 10.756 0.496 -12.016
3 3H ACE 1 HA3 ACE 1 10.873 2.217 -11.589
4 H CYS 2 H CYS 2 9.022 2.932 -10.697
5 HA CYS 2 HA CYS 2 7.362 1.053 -9.135
6 1HB CYS 2 HB1 CYS 2 7.923 4.000 -8.720
7 2HB CYS 2 HB2 CYS 2 6.578 3.176 -7.937
8 H THR 3 H THR 3 5.268 0.866 -9.790
9 HA THR 3 HA THR 3 4.147 2.780 -11.763
10 HB THR 3 HB THR 3 5.374 0.977 -12.976
11 HG1 THR 3 HG1 THR 3 3.679 0.640 -14.380
12 1HG2 THR 3 HG21 THR 3 3.170 -0.885 -11.998
13 2HG2 THR 3 HG22 THR 3 4.539 -1.278 -13.059
14 3HG2 THR 3 HG23 THR 3 4.825 -0.900 -11.355
15 H TRP 4 H TRP 4 1.783 1.897 -12.294
16 HA TRP 4 HA TRP 4 0.478 1.583 -9.612
17 1HB TRP 4 HB1 TRP 4 -0.491 2.880 -12.168
18 2HB TRP 4 HB2 TRP 4 -1.517 2.568 -10.776
19 HD1 TRP 4 HD1 TRP 4 1.020 5.019 -12.063
20 HE1 TRP 4 HE1 TRP 4 1.295 6.969 -10.407
21 HE3 TRP 4 HE3 TRP 4 -1.629 3.127 -8.131
22 HZ2 TRP 4 HZ2 TRP 4 0.352 7.681 -7.778
23 HZ3 TRP 4 HZ3 TRP 4 -1.934 4.463 -6.052
24 HH2 TRP 4 HH2 TRP 4 -0.978 6.748 -5.884
25 H GLU 5 H GLU 5 -0.984 0.048 -9.206
26 HA GLU 5 HA GLU 5 -1.691 -1.994 -11.268
27 1HB GLU 5 HB1 GLU 5 0.102 -2.685 -9.675
28 2HB GLU 5 HB2 GLU 5 -1.007 -2.460 -8.327
29 1HG GLU 5 HG1 GLU 5 -1.598 -4.326 -10.674
30 2HG GLU 5 HG2 GLU 5 -0.658 -4.836 -9.276
31 H GLY 6 H GLY 6 -3.760 -1.358 -11.703
32 1HA GLY 6 HA1 GLY 6 -6.019 -0.983 -11.439
33 2HA GLY 6 HA2 GLY 6 -5.914 -1.673 -9.813
34 H ASN 7 H ASN 7 -5.064 -0.336 -8.166
35 HA ASN 7 HA ASN 7 -4.964 2.599 -8.441
36 1HB ASN 7 HB1 ASN 7 -6.754 2.912 -6.683
37 2HB ASN 7 HB2 ASN 7 -7.347 2.256 -8.208
38 1HD2 ASN 7 HD22 ASN 7 -6.225 1.216 -4.938
39 2HD2 ASN 7 HD21 ASN 7 -7.200 -0.279 -5.010
40 H LYS 8 H LYS 8 -3.301 0.093 -7.399
41 HA LYS 8 HA LYS 8 -2.254 1.480 -4.916
42 1HB LYS 8 HB1 LYS 8 -3.164 -1.001 -4.803
43 2HB LYS 8 HB2 LYS 8 -1.680 -1.405 -5.681
44 1HG LYS 8 HG1 LYS 8 -0.366 -0.218 -3.880
45 2HG LYS 8 HG2 LYS 8 -1.870 0.106 -3.028
46 1HD LYS 8 HD1 LYS 8 -0.452 -2.536 -3.481
47 2HD LYS 8 HD2 LYS 8 -0.740 -1.695 -1.964
48 1HE LYS 8 HE1 LYS 8 -2.781 -3.189 -3.650
49 2HE LYS 8 HE2 LYS 8 -2.132 -3.626 -2.063
50 1HZ LYS 8 HZ1 LYS 8 -3.144 -1.472 -1.307
51 2HZ LYS 8 HZ2 LYS 8 -4.010 -1.499 -2.713
52 3HZ LYS 8 HZ3 LYS 8 -4.162 -2.728 -1.628
53 H LEU 9 H LEU 9 -0.033 1.765 -4.764
54 HA LEU 9 HA LEU 9 1.471 1.875 -7.307
55 1HB LEU 9 HB1 LEU 9 1.612 3.754 -5.666
56 2HB LEU 9 HB2 LEU 9 2.216 2.635 -4.447
57 HG LEU 9 HG LEU 9 4.138 2.133 -6.186
58 1HD1 LEU 9 HD11 LEU 9 3.114 4.820 -7.208
59 2HD1 LEU 9 HD12 LEU 9 4.629 4.037 -7.685
60 3HD1 LEU 9 HD13 LEU 9 3.087 3.289 -8.098
61 1HD2 LEU 9 HD21 LEU 9 3.950 4.761 -4.680
62 2HD2 LEU 9 HD22 LEU 9 4.580 3.206 -4.090
63 3HD2 LEU 9 HD23 LEU 9 5.443 4.070 -5.366
64 H THR 10 H THR 10 2.912 0.265 -7.902
65 HA THR 10 HA THR 10 3.922 -1.542 -5.779
66 HB THR 10 HB THR 10 2.968 -2.566 -8.473
67 HG1 THR 10 HG1 THR 10 1.396 -2.052 -6.846
68 1HG2 THR 10 HG21 THR 10 3.354 -4.815 -7.246
69 2HG2 THR 10 HG22 THR 10 4.791 -3.985 -7.862
70 3HG2 THR 10 HG23 THR 10 4.387 -3.912 -6.130
71 H CYS 11 H CYS 11 6.095 -1.994 -5.932
72 HA CYS 11 HA CYS 11 7.622 -0.739 -8.169
73 1HB CYS 11 HB1 CYS 11 8.248 -0.967 -5.217
74 2HB CYS 11 HB2 CYS 11 9.342 -0.285 -6.411
75 1HN NH2 12 HN1 NH2 12 9.615 -1.782 -8.845
76 2HN NH2 12 HN2 NH2 12 9.865 -3.486 -8.448
Start of MODEL 2
1 1H ACE 1 HA1 ACE 1 11.647 -0.420 -10.725
2 2H ACE 1 HA2 ACE 1 11.045 0.766 -11.904
3 3H ACE 1 HA3 ACE 1 11.739 1.311 -10.350
4 H CYS 2 H CYS 2 9.289 2.234 -11.032
5 HA CYS 2 HA CYS 2 7.336 0.803 -9.300
6 1HB CYS 2 HB1 CYS 2 8.316 3.662 -9.164
7 2HB CYS 2 HB2 CYS 2 6.894 3.085 -8.299
8 H THR 3 H THR 3 5.302 0.825 -10.050
9 HA THR 3 HA THR 3 4.366 2.978 -11.804
10 HB THR 3 HB THR 3 5.254 1.225 -13.321
11 HG1 THR 3 HG1 THR 3 3.400 1.289 -14.607
12 1HG2 THR 3 HG21 THR 3 2.814 -0.447 -12.672
13 2HG2 THR 3 HG22 THR 3 4.233 -0.865 -13.643
14 3HG2 THR 3 HG23 THR 3 4.366 -0.768 -11.876
15 H TRP 4 H TRP 4 1.836 2.082 -12.330
16 HA TRP 4 HA TRP 4 0.632 1.686 -9.604
17 1HB TRP 4 HB1 TRP 4 -0.638 2.596 -12.203
18 2HB TRP 4 HB2 TRP 4 -1.474 2.386 -10.668
19 HD1 TRP 4 HD1 TRP 4 0.720 4.810 -12.523
20 HE1 TRP 4 HE1 TRP 4 0.939 6.997 -11.189
21 HE3 TRP 4 HE3 TRP 4 -1.314 3.254 -8.124
22 HZ2 TRP 4 HZ2 TRP 4 0.234 7.969 -8.536
23 HZ3 TRP 4 HZ3 TRP 4 -1.569 4.817 -6.209
24 HH2 TRP 4 HH2 TRP 4 -0.807 7.175 -6.411
25 H GLU 5 H GLU 5 -0.953 0.149 -9.232
26 HA GLU 5 HA GLU 5 -1.450 -1.930 -11.308
27 1HB GLU 5 HB1 GLU 5 0.341 -2.571 -9.672
28 2HB GLU 5 HB2 GLU 5 -0.873 -2.509 -8.387
29 1HG GLU 5 HG1 GLU 5 -2.181 -4.264 -9.633
30 2HG GLU 5 HG2 GLU 5 -0.923 -4.270 -10.879
31 H GLY 6 H GLY 6 -3.331 -0.799 -11.747
32 1HA GLY 6 HA1 GLY 6 -5.548 -0.261 -11.672
33 2HA GLY 6 HA2 GLY 6 -5.756 -1.444 -10.379
34 H ASN 7 H ASN 7 -5.269 -0.768 -8.239
35 HA ASN 7 HA ASN 7 -6.021 2.085 -7.631
36 1HB ASN 7 HB1 ASN 7 -7.737 0.127 -7.485
37 2HB ASN 7 HB2 ASN 7 -6.888 -0.319 -6.010
38 1HD2 ASN 7 HD22 ASN 7 -6.567 1.904 -4.533
39 2HD2 ASN 7 HD21 ASN 7 -8.151 2.704 -4.353
40 H LYS 8 H LYS 8 -3.376 0.068 -7.316
41 HA LYS 8 HA LYS 8 -2.447 1.529 -4.876
42 1HB LYS 8 HB1 LYS 8 -1.479 -0.430 -3.922
43 2HB LYS 8 HB2 LYS 8 -3.148 -0.829 -4.313
44 1HG LYS 8 HG1 LYS 8 -2.285 -1.938 -6.446
45 2HG LYS 8 HG2 LYS 8 -0.651 -1.644 -5.850
46 1HD LYS 8 HD1 LYS 8 -1.117 -3.882 -5.328
47 2HD LYS 8 HD2 LYS 8 -1.273 -3.027 -3.789
48 1HE LYS 8 HE1 LYS 8 -3.686 -3.098 -3.919
49 2HE LYS 8 HE2 LYS 8 -3.643 -3.684 -5.595
50 1HZ LYS 8 HZ1 LYS 8 -2.418 -5.200 -3.420
51 2HZ LYS 8 HZ2 LYS 8 -4.019 -5.359 -3.783
52 3HZ LYS 8 HZ3 LYS 8 -2.875 -5.725 -4.912
53 H LEU 9 H LEU 9 -0.145 1.871 -4.764
54 HA LEU 9 HA LEU 9 1.225 2.043 -7.392
55 1HB LEU 9 HB1 LEU 9 1.279 3.908 -5.620
56 2HB LEU 9 HB2 LEU 9 2.303 2.838 -4.669
57 HG LEU 9 HG LEU 9 3.913 2.792 -6.671
58 1HD1 LEU 9 HD11 LEU 9 2.121 5.097 -7.582
59 2HD1 LEU 9 HD12 LEU 9 3.744 4.763 -8.229
60 3HD1 LEU 9 HD13 LEU 9 2.433 3.607 -8.471
61 1HD2 LEU 9 HD21 LEU 9 4.241 4.249 -4.644
62 2HD2 LEU 9 HD22 LEU 9 4.939 4.910 -6.131
63 3HD2 LEU 9 HD23 LEU 9 3.407 5.559 -5.507
64 H THR 10 H THR 10 2.976 0.718 -7.934
65 HA THR 10 HA THR 10 3.663 -1.555 -6.125
66 HB THR 10 HB THR 10 2.552 -1.563 -8.937
67 HG1 THR 10 HG1 THR 10 1.536 -1.742 -6.652
68 1HG2 THR 10 HG21 THR 10 2.857 -4.057 -8.875
69 2HG2 THR 10 HG22 THR 10 4.364 -3.161 -9.124
70 3HG2 THR 10 HG23 THR 10 3.981 -3.850 -7.518
71 H CYS 11 H CYS 11 5.746 -1.971 -6.021
72 HA CYS 11 HA CYS 11 7.630 -0.949 -8.066
73 1HB CYS 11 HB1 CYS 11 7.931 -0.781 -5.048
74 2HB CYS 11 HB2 CYS 11 9.205 -0.403 -6.191
75 1HN NH2 12 HN1 NH2 12 9.681 -2.155 -8.077
76 2HN NH2 12 HN2 NH2 12 9.707 -3.802 -7.435
Start of MODEL 3
1 1H ACE 1 HA1 ACE 1 10.568 0.238 -12.502
2 2H ACE 1 HA2 ACE 1 11.258 1.587 -11.566
3 3H ACE 1 HA3 ACE 1 11.669 -0.091 -11.151
4 H CYS 2 H CYS 2 9.293 2.437 -10.847
5 HA CYS 2 HA CYS 2 7.421 0.686 -9.330
6 1HB CYS 2 HB1 CYS 2 8.274 3.512 -8.699
7 2HB CYS 2 HB2 CYS 2 6.950 2.697 -7.880
8 H THR 3 H THR 3 5.320 0.853 -9.840
9 HA THR 3 HA THR 3 4.345 2.956 -11.686
10 HB THR 3 HB THR 3 5.348 1.146 -13.066
11 HG1 THR 3 HG1 THR 3 3.621 1.094 -14.432
12 1HG2 THR 3 HG21 THR 3 4.090 -0.975 -13.361
13 2HG2 THR 3 HG22 THR 3 4.850 -0.863 -11.767
14 3HG2 THR 3 HG23 THR 3 3.102 -0.590 -11.946
15 H TRP 4 H TRP 4 1.880 2.359 -12.222
16 HA TRP 4 HA TRP 4 0.524 1.935 -9.591
17 1HB TRP 4 HB1 TRP 4 -0.501 2.971 -12.248
18 2HB TRP 4 HB2 TRP 4 -1.578 2.448 -10.952
19 HD1 TRP 4 HD1 TRP 4 0.695 5.282 -11.926
20 HE1 TRP 4 HE1 TRP 4 0.563 7.187 -10.201
21 HE3 TRP 4 HE3 TRP 4 -2.367 3.064 -8.469
22 HZ2 TRP 4 HZ2 TRP 4 -0.789 7.729 -7.726
23 HZ3 TRP 4 HZ3 TRP 4 -3.176 4.355 -6.501
24 HH2 TRP 4 HH2 TRP 4 -2.394 6.680 -6.125
25 H GLU 5 H GLU 5 -0.930 0.339 -9.200
26 HA GLU 5 HA GLU 5 -1.326 -1.800 -11.226
27 1HB GLU 5 HB1 GLU 5 0.558 -2.282 -9.539
28 2HB GLU 5 HB2 GLU 5 -0.716 -2.434 -8.320
29 1HG GLU 5 HG1 GLU 5 -1.814 -4.078 -10.061
30 2HG GLU 5 HG2 GLU 5 -0.237 -4.066 -10.851
31 H GLY 6 H GLY 6 -3.361 -1.208 -11.642
32 1HA GLY 6 HA1 GLY 6 -5.626 -1.192 -11.555
33 2HA GLY 6 HA2 GLY 6 -5.537 -2.120 -10.058
34 H ASN 7 H ASN 7 -4.817 -0.676 -8.153
35 HA ASN 7 HA ASN 7 -5.784 2.109 -8.176
36 1HB ASN 7 HB1 ASN 7 -7.474 -0.102 -7.153
37 2HB ASN 7 HB2 ASN 7 -7.174 1.120 -5.937
38 1HD2 ASN 7 HD22 ASN 7 -7.483 1.880 -9.473
39 2HD2 ASN 7 HD21 ASN 7 -8.962 2.817 -9.154
40 H LYS 8 H LYS 8 -3.379 0.122 -7.247
41 HA LYS 8 HA LYS 8 -2.525 1.967 -5.026
42 1HB LYS 8 HB1 LYS 8 -2.973 -0.837 -4.736
43 2HB LYS 8 HB2 LYS 8 -1.246 -0.684 -5.034
44 1HG LYS 8 HG1 LYS 8 -1.182 1.102 -3.204
45 2HG LYS 8 HG2 LYS 8 -2.872 0.719 -2.867
46 1HD LYS 8 HD1 LYS 8 -1.298 -0.362 -1.301
47 2HD LYS 8 HD2 LYS 8 -2.275 -1.547 -2.175
48 1HE LYS 8 HE1 LYS 8 -0.404 -2.065 -3.661
49 2HE LYS 8 HE2 LYS 8 0.554 -0.741 -2.968
50 1HZ LYS 8 HZ1 LYS 8 0.365 -1.974 -0.839
51 2HZ LYS 8 HZ2 LYS 8 -0.230 -3.252 -1.685
52 3HZ LYS 8 HZ3 LYS 8 1.292 -2.687 -2.000
53 H LEU 9 H LEU 9 -0.125 1.920 -4.763
54 HA LEU 9 HA LEU 9 1.251 2.031 -7.396
55 1HB LEU 9 HB1 LEU 9 1.354 3.849 -5.420
56 2HB LEU 9 HB2 LEU 9 2.529 2.734 -4.742
57 HG LEU 9 HG LEU 9 3.716 2.891 -7.078
58 1HD1 LEU 9 HD11 LEU 9 1.813 4.022 -8.260
59 2HD1 LEU 9 HD12 LEU 9 2.017 5.429 -7.197
60 3HD1 LEU 9 HD13 LEU 9 3.308 4.962 -8.323
61 1HD2 LEU 9 HD21 LEU 9 3.608 5.172 -5.065
62 2HD2 LEU 9 HD22 LEU 9 4.837 3.898 -5.250
63 3HD2 LEU 9 HD23 LEU 9 4.715 5.184 -6.450
64 H THR 10 H THR 10 2.986 0.608 -7.876
65 HA THR 10 HA THR 10 3.802 -1.297 -5.782
66 HB THR 10 HB THR 10 1.963 -2.212 -7.487
67 HG1 THR 10 HG1 THR 10 2.710 -3.414 -5.900
68 1HG2 THR 10 HG21 THR 10 3.005 -3.662 -9.195
69 2HG2 THR 10 HG22 THR 10 3.206 -1.947 -9.599
70 3HG2 THR 10 HG23 THR 10 4.565 -2.895 -8.943
71 H CYS 11 H CYS 11 5.864 -2.374 -6.250
72 HA CYS 11 HA CYS 11 7.584 -0.975 -8.249
73 1HB CYS 11 HB1 CYS 11 8.197 -1.567 -5.351
74 2HB CYS 11 HB2 CYS 11 9.398 -1.039 -6.526
75 1HN NH2 12 HN1 NH2 12 8.688 -2.339 -9.565
76 2HN NH2 12 HN2 NH2 12 8.904 -4.057 -9.213
Start of MODEL 4
1 1H ACE 1 HA1 ACE 1 11.352 2.450 -10.987
2 2H ACE 1 HA2 ACE 1 11.444 0.716 -11.394
3 3H ACE 1 HA3 ACE 1 10.409 1.795 -12.351
4 H CYS 2 H CYS 2 8.766 2.992 -11.069
5 HA CYS 2 HA CYS 2 7.347 1.181 -9.186
6 1HB CYS 2 HB1 CYS 2 7.426 4.201 -9.274
7 2HB CYS 2 HB2 CYS 2 6.211 3.301 -8.362
8 H THR 3 H THR 3 5.181 0.884 -9.590
9 HA THR 3 HA THR 3 4.014 1.894 -12.139
10 HB THR 3 HB THR 3 4.530 -1.002 -11.354
11 HG1 THR 3 HG1 THR 3 5.989 0.667 -12.569
12 1HG2 THR 3 HG21 THR 3 3.510 -1.634 -13.494
13 2HG2 THR 3 HG22 THR 3 2.304 -0.879 -12.451
14 3HG2 THR 3 HG23 THR 3 3.028 0.050 -13.793
15 H TRP 4 H TRP 4 1.816 1.866 -12.219
16 HA TRP 4 HA TRP 4 0.375 1.602 -9.649
17 1HB TRP 4 HB1 TRP 4 -0.164 2.978 -12.289
18 2HB TRP 4 HB2 TRP 4 -1.463 2.649 -11.150
19 HD1 TRP 4 HD1 TRP 4 1.406 5.028 -11.700
20 HE1 TRP 4 HE1 TRP 4 1.426 6.812 -9.844
21 HE3 TRP 4 HE3 TRP 4 -2.012 2.936 -8.529
22 HZ2 TRP 4 HZ2 TRP 4 0.024 7.334 -7.375
23 HZ3 TRP 4 HZ3 TRP 4 -2.663 4.098 -6.428
24 HH2 TRP 4 HH2 TRP 4 -1.674 6.303 -5.861
25 H GLU 5 H GLU 5 -0.998 0.085 -9.237
26 HA GLU 5 HA GLU 5 -1.679 -2.025 -11.216
27 1HB GLU 5 HB1 GLU 5 0.049 -2.485 -9.401
28 2HB GLU 5 HB2 GLU 5 -1.220 -2.262 -8.209
29 1HG GLU 5 HG1 GLU 5 -0.853 -4.606 -8.580
30 2HG GLU 5 HG2 GLU 5 -2.445 -4.210 -9.226
31 H GLY 6 H GLY 6 -3.402 -0.653 -11.760
32 1HA GLY 6 HA1 GLY 6 -5.543 0.052 -11.910
33 2HA GLY 6 HA2 GLY 6 -5.981 -1.105 -10.658
34 H ASN 7 H ASN 7 -5.027 -0.228 -8.414
35 HA ASN 7 HA ASN 7 -5.508 2.680 -7.979
36 1HB ASN 7 HB1 ASN 7 -7.526 0.591 -7.401
37 2HB ASN 7 HB2 ASN 7 -7.100 1.502 -5.968
38 1HD2 ASN 7 HD22 ASN 7 -7.426 2.557 -9.456
39 2HD2 ASN 7 HD21 ASN 7 -8.659 3.751 -8.992
40 H LYS 8 H LYS 8 -3.403 0.358 -7.544
41 HA LYS 8 HA LYS 8 -2.427 1.335 -4.892
42 1HB LYS 8 HB1 LYS 8 -3.721 -0.926 -4.931
43 2HB LYS 8 HB2 LYS 8 -2.381 -1.560 -5.865
44 1HG LYS 8 HG1 LYS 8 -2.186 -2.180 -3.550
45 2HG LYS 8 HG2 LYS 8 -0.855 -1.090 -3.929
46 1HD LYS 8 HD1 LYS 8 -3.365 0.191 -2.865
47 2HD LYS 8 HD2 LYS 8 -2.537 -0.874 -1.739
48 1HE LYS 8 HE1 LYS 8 -1.026 1.293 -3.230
49 2HE LYS 8 HE2 LYS 8 -1.922 1.638 -1.740
50 1HZ LYS 8 HZ1 LYS 8 -0.631 -0.023 -0.632
51 2HZ LYS 8 HZ2 LYS 8 0.225 -0.344 -2.004
52 3HZ LYS 8 HZ3 LYS 8 0.347 1.134 -1.279
53 H LEU 9 H LEU 9 -0.072 1.114 -4.672
54 HA LEU 9 HA LEU 9 1.329 1.376 -7.293
55 1HB LEU 9 HB1 LEU 9 1.125 3.339 -5.719
56 2HB LEU 9 HB2 LEU 9 2.037 2.418 -4.527
57 HG LEU 9 HG LEU 9 4.021 2.443 -6.054
58 1HD1 LEU 9 HD11 LEU 9 2.368 4.404 -7.718
59 2HD1 LEU 9 HD12 LEU 9 4.086 4.030 -7.933
60 3HD1 LEU 9 HD13 LEU 9 2.870 2.790 -8.250
61 1HD2 LEU 9 HD21 LEU 9 3.693 4.171 -4.284
62 2HD2 LEU 9 HD22 LEU 9 4.547 4.824 -5.688
63 3HD2 LEU 9 HD23 LEU 9 2.826 5.192 -5.452
64 H THR 10 H THR 10 3.073 0.092 -7.777
65 HA THR 10 HA THR 10 4.274 -1.612 -5.657
66 HB THR 10 HB THR 10 2.924 -3.155 -6.922
67 HG1 THR 10 HG1 THR 10 4.731 -4.187 -6.542
68 1HG2 THR 10 HG21 THR 10 3.215 -3.598 -9.308
69 2HG2 THR 10 HG22 THR 10 2.611 -1.954 -9.071
70 3HG2 THR 10 HG23 THR 10 4.329 -2.232 -9.463
71 H CYS 11 H CYS 11 6.595 -1.950 -5.937
72 HA CYS 11 HA CYS 11 7.844 -0.579 -8.212
73 1HB CYS 11 HB1 CYS 11 8.848 -0.115 -5.401
74 2HB CYS 11 HB2 CYS 11 9.479 0.576 -6.889
75 1HN NH2 12 HN1 NH2 12 10.039 -1.323 -8.632
76 2HN NH2 12 HN2 NH2 12 10.557 -2.878 -7.963
Start of MODEL 5
1 1H ACE 1 HA1 ACE 1 11.531 0.487 -11.394
2 2H ACE 1 HA2 ACE 1 10.702 1.823 -12.220
3 3H ACE 1 HA3 ACE 1 11.574 2.119 -10.692
4 H CYS 2 H CYS 2 8.937 2.887 -10.974
5 HA CYS 2 HA CYS 2 7.386 0.910 -9.372
6 1HB CYS 2 HB1 CYS 2 7.535 3.908 -9.052
7 2HB CYS 2 HB2 CYS 2 6.307 2.921 -8.263
8 H THR 3 H THR 3 5.184 0.983 -9.537
9 HA THR 3 HA THR 3 3.990 1.917 -12.122
10 HB THR 3 HB THR 3 3.034 -0.431 -12.270
11 HG1 THR 3 HG1 THR 3 4.635 -0.804 -10.064
12 1HG2 THR 3 HG21 THR 3 5.062 -1.417 -13.321
13 2HG2 THR 3 HG22 THR 3 4.712 0.239 -13.850
14 3HG2 THR 3 HG23 THR 3 6.022 -0.067 -12.686
15 H TRP 4 H TRP 4 1.758 2.095 -12.089
16 HA TRP 4 HA TRP 4 0.349 1.870 -9.458
17 1HB TRP 4 HB1 TRP 4 -0.122 3.553 -11.884
18 2HB TRP 4 HB2 TRP 4 -1.418 3.132 -10.778
19 HD1 TRP 4 HD1 TRP 4 1.616 5.354 -11.021
20 HE1 TRP 4 HE1 TRP 4 1.567 7.051 -9.083
21 HE3 TRP 4 HE3 TRP 4 -2.000 3.188 -8.131
22 HZ2 TRP 4 HZ2 TRP 4 -0.063 7.565 -6.754
23 HZ3 TRP 4 HZ3 TRP 4 -2.801 4.311 -6.060
24 HH2 TRP 4 HH2 TRP 4 -1.884 6.522 -5.402
25 H GLU 5 H GLU 5 -0.519 -0.078 -9.237
26 HA GLU 5 HA GLU 5 -1.518 -1.565 -11.640
27 1HB GLU 5 HB1 GLU 5 -0.623 -2.639 -8.945
28 2HB GLU 5 HB2 GLU 5 -1.301 -3.594 -10.266
29 1HG GLU 5 HG1 GLU 5 1.331 -2.054 -10.326
30 2HG GLU 5 HG2 GLU 5 1.133 -3.800 -10.218
31 H GLY 6 H GLY 6 -3.576 -1.039 -11.887
32 1HA GLY 6 HA1 GLY 6 -5.842 -0.968 -11.552
33 2HA GLY 6 HA2 GLY 6 -5.619 -1.844 -10.037
34 H ASN 7 H ASN 7 -4.798 -0.537 -8.223
35 HA ASN 7 HA ASN 7 -5.430 2.343 -8.193
36 1HB ASN 7 HB1 ASN 7 -7.150 2.214 -6.477
37 2HB ASN 7 HB2 ASN 7 -7.642 1.313 -7.904
38 1HD2 ASN 7 HD22 ASN 7 -6.410 0.984 -4.572
39 2HD2 ASN 7 HD21 ASN 7 -7.055 -0.667 -4.401
40 H LYS 8 H LYS 8 -3.107 0.360 -7.537
41 HA LYS 8 HA LYS 8 -2.269 1.814 -5.081
42 1HB LYS 8 HB1 LYS 8 -1.367 -0.268 -4.128
43 2HB LYS 8 HB2 LYS 8 -3.116 -0.312 -4.253
44 1HG LYS 8 HG1 LYS 8 -3.132 -1.829 -6.032
45 2HG LYS 8 HG2 LYS 8 -1.464 -1.525 -6.500
46 1HD LYS 8 HD1 LYS 8 -2.097 -2.818 -3.827
47 2HD LYS 8 HD2 LYS 8 -2.064 -3.734 -5.335
48 1HE LYS 8 HE1 LYS 8 0.077 -4.012 -4.437
49 2HE LYS 8 HE2 LYS 8 0.252 -2.872 -5.775
50 1HZ LYS 8 HZ1 LYS 8 -0.093 -1.872 -3.068
51 2HZ LYS 8 HZ2 LYS 8 1.383 -2.437 -3.547
52 3HZ LYS 8 HZ3 LYS 8 0.690 -1.181 -4.350
53 H LEU 9 H LEU 9 0.022 1.762 -4.693
54 HA LEU 9 HA LEU 9 1.581 1.821 -7.185
55 1HB LEU 9 HB1 LEU 9 1.514 3.729 -5.440
56 2HB LEU 9 HB2 LEU 9 2.398 2.648 -4.366
57 HG LEU 9 HG LEU 9 4.192 2.505 -6.226
58 1HD1 LEU 9 HD11 LEU 9 2.608 4.921 -7.218
59 2HD1 LEU 9 HD12 LEU 9 4.251 4.510 -7.746
60 3HD1 LEU 9 HD13 LEU 9 2.904 3.422 -8.118
61 1HD2 LEU 9 HD21 LEU 9 4.328 3.913 -4.102
62 2HD2 LEU 9 HD22 LEU 9 5.305 4.475 -5.467
63 3HD2 LEU 9 HD23 LEU 9 3.773 5.293 -5.078
64 H THR 10 H THR 10 2.650 0.137 -7.815
65 HA THR 10 HA THR 10 3.778 -1.857 -5.873
66 HB THR 10 HB THR 10 3.138 -2.306 -8.819
67 HG1 THR 10 HG1 THR 10 1.283 -2.021 -7.613
68 1HG2 THR 10 HG21 THR 10 3.273 -4.729 -8.090
69 2HG2 THR 10 HG22 THR 10 4.825 -3.876 -8.089
70 3HG2 THR 10 HG23 THR 10 3.965 -4.173 -6.553
71 H CYS 11 H CYS 11 6.021 -1.982 -5.870
72 HA CYS 11 HA CYS 11 7.495 -0.598 -8.074
73 1HB CYS 11 HB1 CYS 11 8.084 -0.678 -5.106
74 2HB CYS 11 HB2 CYS 11 9.206 -0.071 -6.317
75 1HN NH2 12 HN1 NH2 12 9.320 -1.601 -8.918
76 2HN NH2 12 HN2 NH2 12 9.745 -3.249 -8.456
Start of MODEL 6
1 1H ACE 1 HA1 ACE 1 10.812 2.418 -11.539
2 2H ACE 1 HA2 ACE 1 11.027 3.472 -10.115
3 3H ACE 1 HA3 ACE 1 11.706 1.831 -10.117
4 H CYS 2 H CYS 2 8.547 3.384 -10.780
5 HA CYS 2 HA CYS 2 7.221 1.304 -9.149
6 1HB CYS 2 HB1 CYS 2 6.821 4.309 -9.126
7 2HB CYS 2 HB2 CYS 2 5.649 3.195 -8.427
8 H THR 3 H THR 3 5.165 0.725 -9.715
9 HA THR 3 HA THR 3 4.064 1.549 -12.365
10 HB THR 3 HB THR 3 4.495 -1.246 -11.225
11 HG1 THR 3 HG1 THR 3 5.907 -1.408 -12.986
12 1HG2 THR 3 HG21 THR 3 3.802 -2.017 -13.498
13 2HG2 THR 3 HG22 THR 3 2.480 -1.273 -12.593
14 3HG2 THR 3 HG23 THR 3 3.297 -0.359 -13.887
15 H TRP 4 H TRP 4 1.867 1.855 -12.335
16 HA TRP 4 HA TRP 4 0.370 1.527 -9.828
17 1HB TRP 4 HB1 TRP 4 -0.240 2.715 -12.543
18 2HB TRP 4 HB2 TRP 4 -1.542 2.314 -11.440
19 HD1 TRP 4 HD1 TRP 4 0.840 5.053 -12.148
20 HE1 TRP 4 HE1 TRP 4 0.722 6.875 -10.341
21 HE3 TRP 4 HE3 TRP 4 -2.055 2.623 -8.698
22 HZ2 TRP 4 HZ2 TRP 4 -0.307 7.162 -7.658
23 HZ3 TRP 4 HZ3 TRP 4 -2.525 3.673 -6.485
24 HH2 TRP 4 HH2 TRP 4 -1.670 5.927 -5.963
25 H GLU 5 H GLU 5 -0.799 -0.086 -9.256
26 HA GLU 5 HA GLU 5 -1.714 -2.141 -11.198
27 1HB GLU 5 HB1 GLU 5 -0.081 -2.619 -9.101
28 2HB GLU 5 HB2 GLU 5 -1.610 -2.742 -8.247
29 1HG GLU 5 HG1 GLU 5 -0.857 -4.228 -10.816
30 2HG GLU 5 HG2 GLU 5 -0.740 -4.919 -9.203
31 H GLY 6 H GLY 6 -3.190 -0.430 -11.714
32 1HA GLY 6 HA1 GLY 6 -5.288 0.550 -11.770
33 2HA GLY 6 HA2 GLY 6 -5.821 -0.601 -10.542
34 H ASN 7 H ASN 7 -5.527 -0.095 -8.366
35 HA ASN 7 HA ASN 7 -5.473 2.843 -7.708
36 1HB ASN 7 HB1 ASN 7 -7.642 1.427 -7.692
37 2HB ASN 7 HB2 ASN 7 -7.022 0.715 -6.207
38 1HD2 ASN 7 HD22 ASN 7 -5.838 3.338 -5.212
39 2HD2 ASN 7 HD21 ASN 7 -7.281 4.336 -4.895
40 H LYS 8 H LYS 8 -3.635 0.037 -7.321
41 HA LYS 8 HA LYS 8 -2.326 0.968 -4.753
42 1HB LYS 8 HB1 LYS 8 -2.701 -1.756 -6.034
43 2HB LYS 8 HB2 LYS 8 -1.269 -1.426 -5.048
44 1HG LYS 8 HG1 LYS 8 -2.741 -0.667 -3.183
45 2HG LYS 8 HG2 LYS 8 -4.160 -1.123 -4.127
46 1HD LYS 8 HD1 LYS 8 -1.958 -3.056 -3.230
47 2HD LYS 8 HD2 LYS 8 -3.466 -2.762 -2.373
48 1HE LYS 8 HE1 LYS 8 -4.107 -4.622 -3.512
49 2HE LYS 8 HE2 LYS 8 -4.588 -3.396 -4.695
50 1HZ LYS 8 HZ1 LYS 8 -2.354 -3.803 -5.699
51 2HZ LYS 8 HZ2 LYS 8 -2.209 -5.106 -4.694
52 3HZ LYS 8 HZ3 LYS 8 -3.424 -5.056 -5.807
53 H LEU 9 H LEU 9 0.011 0.958 -4.792
54 HA LEU 9 HA LEU 9 1.212 1.206 -7.519
55 1HB LEU 9 HB1 LEU 9 1.092 3.296 -5.978
56 2HB LEU 9 HB2 LEU 9 2.257 2.453 -4.962
57 HG LEU 9 HG LEU 9 3.723 2.286 -7.127
58 1HD1 LEU 9 HD11 LEU 9 1.949 2.993 -8.742
59 2HD1 LEU 9 HD12 LEU 9 1.857 4.561 -7.925
60 3HD1 LEU 9 HD13 LEU 9 3.337 4.087 -8.774
61 1HD2 LEU 9 HD21 LEU 9 3.144 4.949 -5.762
62 2HD2 LEU 9 HD22 LEU 9 4.335 3.729 -5.264
63 3HD2 LEU 9 HD23 LEU 9 4.567 4.625 -6.772
64 H THR 10 H THR 10 2.981 -0.058 -7.960
65 HA THR 10 HA THR 10 4.106 -1.812 -5.803
66 HB THR 10 HB THR 10 3.453 -2.549 -8.688
67 HG1 THR 10 HG1 THR 10 1.827 -2.347 -6.884
68 1HG2 THR 10 HG21 THR 10 4.503 -4.282 -6.400
69 2HG2 THR 10 HG22 THR 10 4.046 -4.841 -8.021
70 3HG2 THR 10 HG23 THR 10 5.455 -3.784 -7.824
71 H CYS 11 H CYS 11 6.391 -1.718 -5.741
72 HA CYS 11 HA CYS 11 7.732 -0.359 -8.032
73 1HB CYS 11 HB1 CYS 11 8.295 0.156 -5.104
74 2HB CYS 11 HB2 CYS 11 9.029 0.971 -6.478
75 1HN NH2 12 HN1 NH2 12 9.930 -0.882 -8.386
76 2HN NH2 12 HN2 NH2 12 10.594 -2.367 -7.679
Start of MODEL 7
1 1H ACE 1 HA1 ACE 1 11.545 2.324 -10.682
2 2H ACE 1 HA2 ACE 1 11.901 0.587 -10.819
3 3H ACE 1 HA3 ACE 1 10.977 1.401 -12.102
4 H CYS 2 H CYS 2 9.110 2.786 -10.944
5 HA CYS 2 HA CYS 2 7.499 0.923 -9.291
6 1HB CYS 2 HB1 CYS 2 7.727 3.925 -9.035
7 2HB CYS 2 HB2 CYS 2 6.657 2.931 -8.050
8 H THR 3 H THR 3 5.417 0.689 -9.863
9 HA THR 3 HA THR 3 4.176 2.437 -11.913
10 HB THR 3 HB THR 3 5.363 0.624 -13.124
11 HG1 THR 3 HG1 THR 3 3.467 0.018 -14.304
12 1HG2 THR 3 HG21 THR 3 3.253 -1.301 -12.090
13 2HG2 THR 3 HG22 THR 3 4.689 -1.636 -13.081
14 3HG2 THR 3 HG23 THR 3 4.878 -1.216 -11.374
15 H TRP 4 H TRP 4 1.895 1.390 -12.383
16 HA TRP 4 HA TRP 4 0.506 1.340 -9.709
17 1HB TRP 4 HB1 TRP 4 -0.212 2.781 -12.273
18 2HB TRP 4 HB2 TRP 4 -1.365 2.473 -10.991
19 HD1 TRP 4 HD1 TRP 4 1.485 4.764 -11.876
20 HE1 TRP 4 HE1 TRP 4 1.518 6.732 -10.217
21 HE3 TRP 4 HE3 TRP 4 -1.736 2.929 -8.356
22 HZ2 TRP 4 HZ2 TRP 4 0.091 7.527 -7.831
23 HZ3 TRP 4 HZ3 TRP 4 -2.338 4.277 -6.365
24 HH2 TRP 4 HH2 TRP 4 -1.480 6.604 -6.127
25 H GLU 5 H GLU 5 -1.278 0.136 -9.473
26 HA GLU 5 HA GLU 5 -2.125 -1.808 -11.571
27 1HB GLU 5 HB1 GLU 5 -1.351 -2.413 -8.684
28 2HB GLU 5 HB2 GLU 5 -2.084 -3.554 -9.827
29 1HG GLU 5 HG1 GLU 5 -0.093 -3.144 -11.365
30 2HG GLU 5 HG2 GLU 5 0.658 -2.233 -10.047
31 H GLY 6 H GLY 6 -3.933 -0.489 -11.884
32 1HA GLY 6 HA1 GLY 6 -6.146 0.063 -11.685
33 2HA GLY 6 HA2 GLY 6 -6.270 -1.074 -10.344
34 H ASN 7 H ASN 7 -5.344 -0.291 -8.300
35 HA ASN 7 HA ASN 7 -5.613 2.624 -7.662
36 1HB ASN 7 HB1 ASN 7 -7.190 0.388 -6.298
37 2HB ASN 7 HB2 ASN 7 -7.144 2.061 -5.762
38 1HD2 ASN 7 HD21 ASN 7 -7.457 3.315 -8.471
39 2HD2 ASN 7 HD22 ASN 7 -9.131 2.912 -8.833
40 H LYS 8 H LYS 8 -3.601 0.089 -7.534
41 HA LYS 8 HA LYS 8 -2.353 0.760 -4.874
42 1HB LYS 8 HB1 LYS 8 -3.332 -1.412 -4.825
43 2HB LYS 8 HB2 LYS 8 -2.723 -1.822 -6.425
44 1HG LYS 8 HG1 LYS 8 -0.394 -1.882 -5.509
45 2HG LYS 8 HG2 LYS 8 -1.057 -1.545 -3.890
46 1HD LYS 8 HD1 LYS 8 -2.512 -3.574 -4.118
47 2HD LYS 8 HD2 LYS 8 -1.770 -3.916 -5.693
48 1HE LYS 8 HE1 LYS 8 0.394 -4.291 -4.661
49 2HE LYS 8 HE2 LYS 8 -0.216 -3.736 -3.087
50 1HZ LYS 8 HZ1 LYS 8 -1.793 -5.577 -3.182
51 2HZ LYS 8 HZ2 LYS 8 -1.053 -6.143 -4.541
52 3HZ LYS 8 HZ3 LYS 8 -0.223 -6.073 -3.115
53 H LEU 9 H LEU 9 -0.113 0.858 -4.846
54 HA LEU 9 HA LEU 9 1.294 1.440 -7.421
55 1HB LEU 9 HB1 LEU 9 0.569 3.371 -6.089
56 2HB LEU 9 HB2 LEU 9 1.401 2.767 -4.670
57 HG LEU 9 HG LEU 9 2.846 3.576 -7.236
58 1HD1 LEU 9 HD11 LEU 9 1.515 5.453 -6.282
59 2HD1 LEU 9 HD12 LEU 9 2.306 5.216 -4.715
60 3HD1 LEU 9 HD13 LEU 9 3.249 5.737 -6.131
61 1HD2 LEU 9 HD21 LEU 9 3.780 3.142 -4.355
62 2HD2 LEU 9 HD22 LEU 9 4.355 2.297 -5.810
63 3HD2 LEU 9 HD23 LEU 9 4.741 3.998 -5.572
64 H THR 10 H THR 10 3.199 0.278 -7.745
65 HA THR 10 HA THR 10 4.488 -1.003 -5.379
66 HB THR 10 HB THR 10 4.701 -3.131 -6.590
67 HG1 THR 10 HG1 THR 10 2.728 -2.941 -8.298
68 1HG2 THR 10 HG21 THR 10 1.765 -2.357 -6.413
69 2HG2 THR 10 HG22 THR 10 2.472 -3.984 -6.288
70 3HG2 THR 10 HG23 THR 10 2.775 -2.789 -5.015
71 H CYS 11 H CYS 11 6.653 -1.678 -5.671
72 HA CYS 11 HA CYS 11 8.094 -0.517 -7.996
73 1HB CYS 11 HB1 CYS 11 8.938 -0.504 -5.090
74 2HB CYS 11 HB2 CYS 11 9.904 0.084 -6.433
75 1HN NH2 12 HN1 NH2 12 9.738 -1.741 -8.843
76 2HN NH2 12 HN2 NH2 12 10.112 -3.369 -8.260
Start of MODEL 8
1 1H ACE 1 HA1 ACE 1 11.899 1.838 -10.711
2 2H ACE 1 HA2 ACE 1 11.274 0.475 -11.665
3 3H ACE 1 HA3 ACE 1 10.832 2.134 -12.100
4 H CYS 2 H CYS 2 8.793 2.566 -11.573
5 HA CYS 2 HA CYS 2 7.464 1.155 -9.363
6 1HB CYS 2 HB1 CYS 2 7.588 4.137 -9.855
7 2HB CYS 2 HB2 CYS 2 6.225 3.417 -9.014
8 H THR 3 H THR 3 5.361 0.657 -9.847
9 HA THR 3 HA THR 3 4.092 1.588 -12.387
10 HB THR 3 HB THR 3 4.807 -1.228 -11.560
11 HG1 THR 3 HG1 THR 3 5.272 -1.193 -13.866
12 1HG2 THR 3 HG21 THR 3 3.375 -2.117 -13.366
13 2HG2 THR 3 HG22 THR 3 2.420 -1.434 -12.060
14 3HG2 THR 3 HG23 THR 3 2.629 -0.514 -13.569
15 H TRP 4 H TRP 4 1.999 2.025 -12.162
16 HA TRP 4 HA TRP 4 0.562 1.425 -9.650
17 1HB TRP 4 HB1 TRP 4 -0.178 3.028 -12.117
18 2HB TRP 4 HB2 TRP 4 -1.365 2.567 -10.912
19 HD1 TRP 4 HD1 TRP 4 1.435 4.990 -11.498
20 HE1 TRP 4 HE1 TRP 4 1.628 6.648 -9.537
21 HE3 TRP 4 HE3 TRP 4 -1.964 2.885 -8.273
22 HZ2 TRP 4 HZ2 TRP 4 0.632 6.895 -6.859
23 HZ3 TRP 4 HZ3 TRP 4 -2.287 3.844 -6.008
24 HH2 TRP 4 HH2 TRP 4 -0.978 5.828 -5.283
25 H GLU 5 H GLU 5 -1.141 0.179 -9.470
26 HA GLU 5 HA GLU 5 -1.906 -1.826 -11.540
27 1HB GLU 5 HB1 GLU 5 -1.059 -2.084 -8.627
28 2HB GLU 5 HB2 GLU 5 -2.057 -3.315 -9.382
29 1HG GLU 5 HG1 GLU 5 0.663 -2.438 -10.459
30 2HG GLU 5 HG2 GLU 5 0.435 -3.758 -9.321
31 H GLY 6 H GLY 6 -3.535 -0.022 -11.835
32 1HA GLY 6 HA1 GLY 6 -5.621 0.936 -11.542
33 2HA GLY 6 HA2 GLY 6 -6.058 -0.443 -10.517
34 H ASN 7 H ASN 7 -6.272 -0.047 -8.318
35 HA ASN 7 HA ASN 7 -5.680 2.691 -7.360
36 1HB ASN 7 HB1 ASN 7 -7.247 2.424 -5.730
37 2HB ASN 7 HB2 ASN 7 -7.934 1.513 -7.059
38 1HD2 ASN 7 HD22 ASN 7 -6.006 1.101 -4.049
39 2HD2 ASN 7 HD21 ASN 7 -6.876 -0.386 -3.597
40 H LYS 8 H LYS 8 -3.808 0.038 -7.537
41 HA LYS 8 HA LYS 8 -2.494 0.271 -4.860
42 1HB LYS 8 HB1 LYS 8 -3.579 -1.871 -5.439
43 2HB LYS 8 HB2 LYS 8 -2.715 -1.912 -6.965
44 1HG LYS 8 HG1 LYS 8 -0.559 -2.170 -5.721
45 2HG LYS 8 HG2 LYS 8 -1.503 -2.312 -4.217
46 1HD LYS 8 HD1 LYS 8 -2.645 -4.297 -5.058
47 2HD LYS 8 HD2 LYS 8 -1.985 -4.051 -6.686
48 1HE LYS 8 HE1 LYS 8 0.306 -4.395 -5.816
49 2HE LYS 8 HE2 LYS 8 -0.366 -4.739 -4.208
50 1HZ LYS 8 HZ1 LYS 8 -1.006 -6.247 -6.644
51 2HZ LYS 8 HZ2 LYS 8 0.108 -6.707 -5.519
52 3HZ LYS 8 HZ3 LYS 8 -1.485 -6.604 -5.108
53 H LEU 9 H LEU 9 -0.169 0.488 -4.830
54 HA LEU 9 HA LEU 9 1.143 1.064 -7.456
55 1HB LEU 9 HB1 LEU 9 0.921 3.108 -6.098
56 2HB LEU 9 HB2 LEU 9 1.688 2.295 -4.735
57 HG LEU 9 HG LEU 9 3.791 2.066 -6.125
58 1HD1 LEU 9 HD11 LEU 9 2.685 2.354 -8.399
59 2HD1 LEU 9 HD12 LEU 9 2.424 4.046 -7.987
60 3HD1 LEU 9 HD13 LEU 9 4.071 3.417 -8.127
61 1HD2 LEU 9 HD21 LEU 9 3.525 3.842 -4.466
62 2HD2 LEU 9 HD22 LEU 9 4.490 4.370 -5.852
63 3HD2 LEU 9 HD23 LEU 9 2.794 4.897 -5.700
64 H THR 10 H THR 10 3.170 0.243 -7.819
65 HA THR 10 HA THR 10 4.269 -1.658 -5.827
66 HB THR 10 HB THR 10 4.616 -3.315 -7.636
67 HG1 THR 10 HG1 THR 10 3.247 -1.374 -9.166
68 1HG2 THR 10 HG21 THR 10 2.318 -4.140 -7.744
69 2HG2 THR 10 HG22 THR 10 2.662 -3.507 -6.123
70 3HG2 THR 10 HG23 THR 10 1.685 -2.560 -7.265
71 H CYS 11 H CYS 11 6.452 -1.439 -5.564
72 HA CYS 11 HA CYS 11 8.087 -0.159 -7.676
73 1HB CYS 11 HB1 CYS 11 7.827 0.718 -4.783
74 2HB CYS 11 HB2 CYS 11 9.096 1.274 -5.865
75 1HN NH2 12 HN1 NH2 12 10.362 -0.741 -7.500
76 2HN NH2 12 HN2 NH2 12 10.856 -2.025 -6.393
Start of MODEL 9
1 1H ACE 1 HA1 ACE 1 11.979 0.589 -10.054
2 2H ACE 1 HA2 ACE 1 11.335 1.790 -11.196
3 3H ACE 1 HA3 ACE 1 11.720 2.261 -9.515
4 H CYS 2 H CYS 2 9.183 2.705 -10.691
5 HA CYS 2 HA CYS 2 7.452 0.808 -9.205
6 1HB CYS 2 HB1 CYS 2 7.352 3.827 -9.129
7 2HB CYS 2 HB2 CYS 2 6.196 2.764 -8.329
8 H THR 3 H THR 3 5.291 0.774 -9.715
9 HA THR 3 HA THR 3 4.345 1.918 -12.297
10 HB THR 3 HB THR 3 3.222 -0.315 -12.709
11 HG1 THR 3 HG1 THR 3 5.039 -1.106 -10.671
12 1HG2 THR 3 HG21 THR 3 6.264 -0.440 -12.702
13 2HG2 THR 3 HG22 THR 3 5.151 -1.432 -13.668
14 3HG2 THR 3 HG23 THR 3 5.257 0.314 -13.958
15 H TRP 4 H TRP 4 1.904 1.593 -12.472
16 HA TRP 4 HA TRP 4 0.536 1.868 -9.830
17 1HB TRP 4 HB1 TRP 4 0.413 3.481 -12.364
18 2HB TRP 4 HB2 TRP 4 -1.093 3.165 -11.536
19 HD1 TRP 4 HD1 TRP 4 1.543 5.644 -11.604
20 HE1 TRP 4 HE1 TRP 4 1.260 7.303 -9.657
21 HE3 TRP 4 HE3 TRP 4 -1.616 2.907 -8.652
22 HZ2 TRP 4 HZ2 TRP 4 -0.292 7.499 -7.237
23 HZ3 TRP 4 HZ3 TRP 4 -2.509 3.871 -6.540
24 HH2 TRP 4 HH2 TRP 4 -1.876 6.166 -5.843
25 H GLU 5 H GLU 5 -0.772 0.176 -9.443
26 HA GLU 5 HA GLU 5 -1.820 -1.412 -11.745
27 1HB GLU 5 HB1 GLU 5 0.143 -2.418 -10.680
28 2HB GLU 5 HB2 GLU 5 -0.643 -2.337 -9.104
29 1HG GLU 5 HG1 GLU 5 -0.851 -4.576 -9.839
30 2HG GLU 5 HG2 GLU 5 -2.454 -3.878 -10.045
31 H GLY 6 H GLY 6 -3.891 -0.788 -11.815
32 1HA GLY 6 HA1 GLY 6 -6.125 -0.665 -11.292
33 2HA GLY 6 HA2 GLY 6 -5.806 -1.624 -9.842
34 H ASN 7 H ASN 7 -5.172 -0.560 -7.949
35 HA ASN 7 HA ASN 7 -5.258 2.372 -7.772
36 1HB ASN 7 HB1 ASN 7 -7.019 2.477 -6.091
37 2HB ASN 7 HB2 ASN 7 -7.622 1.804 -7.598
38 1HD2 ASN 7 HD22 ASN 7 -6.295 0.775 -4.427
39 2HD2 ASN 7 HD21 ASN 7 -7.417 -0.613 -4.302
40 H LYS 8 H LYS 8 -3.269 0.175 -7.383
41 HA LYS 8 HA LYS 8 -2.222 1.173 -4.784
42 1HB LYS 8 HB1 LYS 8 -3.145 -1.129 -4.524
43 2HB LYS 8 HB2 LYS 8 -2.114 -1.687 -5.827
44 1HG LYS 8 HG1 LYS 8 -0.439 -0.418 -3.806
45 2HG LYS 8 HG2 LYS 8 -1.569 -1.504 -3.000
46 1HD LYS 8 HD1 LYS 8 -0.888 -3.344 -4.570
47 2HD LYS 8 HD2 LYS 8 0.276 -2.223 -5.305
48 1HE LYS 8 HE1 LYS 8 1.315 -1.966 -2.998
49 2HE LYS 8 HE2 LYS 8 0.298 -3.322 -2.467
50 1HZ LYS 8 HZ1 LYS 8 1.985 -3.557 -4.831
51 2HZ LYS 8 HZ2 LYS 8 2.632 -3.768 -3.330
52 3HZ LYS 8 HZ3 LYS 8 1.411 -4.750 -3.849
53 H LEU 9 H LEU 9 0.012 1.530 -4.812
54 HA LEU 9 HA LEU 9 1.316 1.731 -7.460
55 1HB LEU 9 HB1 LEU 9 1.327 3.646 -5.830
56 2HB LEU 9 HB2 LEU 9 2.204 2.625 -4.691
57 HG LEU 9 HG LEU 9 3.993 2.405 -6.601
58 1HD1 LEU 9 HD11 LEU 9 2.467 3.535 -8.343
59 2HD1 LEU 9 HD12 LEU 9 2.731 5.044 -7.471
60 3HD1 LEU 9 HD13 LEU 9 4.107 4.188 -8.203
61 1HD2 LEU 9 HD21 LEU 9 4.332 3.647 -4.490
62 2HD2 LEU 9 HD22 LEU 9 5.101 4.459 -5.862
63 3HD2 LEU 9 HD23 LEU 9 3.566 5.081 -5.209
64 H THR 10 H THR 10 2.851 0.341 -8.115
65 HA THR 10 HA THR 10 3.799 -1.822 -6.287
66 HB THR 10 HB THR 10 4.032 -3.035 -8.640
67 HG1 THR 10 HG1 THR 10 3.149 -1.648 -10.057
68 1HG2 THR 10 HG21 THR 10 1.353 -2.826 -7.240
69 2HG2 THR 10 HG22 THR 10 1.968 -4.176 -8.213
70 3HG2 THR 10 HG23 THR 10 2.731 -3.803 -6.659
71 H CYS 11 H CYS 11 5.692 -1.046 -5.661
72 HA CYS 11 HA CYS 11 7.794 -0.402 -7.658
73 1HB CYS 11 HB1 CYS 11 7.786 -0.180 -4.643
74 2HB CYS 11 HB2 CYS 11 9.064 0.368 -5.718
75 1HN NH2 12 HN1 NH2 12 7.214 -2.972 -8.060
76 2HN NH2 12 HN2 NH2 12 8.385 -4.010 -7.247
Start of MODEL 10
1 1H ACE 1 HA1 ACE 1 11.442 1.532 -10.677
2 2H ACE 1 HA2 ACE 1 11.395 -0.247 -10.757
3 3H ACE 1 HA3 ACE 1 10.486 0.705 -11.944
4 H CYS 2 H CYS 2 8.931 2.342 -10.845
5 HA CYS 2 HA CYS 2 7.247 0.685 -9.092
6 1HB CYS 2 HB1 CYS 2 7.411 3.699 -9.008
7 2HB CYS 2 HB2 CYS 2 6.286 2.715 -8.071
8 H THR 3 H THR 3 5.100 0.517 -9.754
9 HA THR 3 HA THR 3 4.207 2.021 -12.195
10 HB THR 3 HB THR 3 4.232 -0.994 -11.790
11 HG1 THR 3 HG1 THR 3 5.972 0.553 -12.744
12 1HG2 THR 3 HG21 THR 3 3.214 -1.196 -14.019
13 2HG2 THR 3 HG22 THR 3 2.085 -0.417 -12.915
14 3HG2 THR 3 HG23 THR 3 2.980 0.560 -14.104
15 H TRP 4 H TRP 4 1.927 2.177 -12.439
16 HA TRP 4 HA TRP 4 0.421 2.020 -9.888
17 1HB TRP 4 HB1 TRP 4 0.199 3.657 -12.411
18 2HB TRP 4 HB2 TRP 4 -1.231 3.363 -11.438
19 HD1 TRP 4 HD1 TRP 4 1.675 5.644 -11.613
20 HE1 TRP 4 HE1 TRP 4 1.688 7.228 -9.586
21 HE3 TRP 4 HE3 TRP 4 -1.691 3.199 -8.626
22 HZ2 TRP 4 HZ2 TRP 4 0.331 7.475 -7.064
23 HZ3 TRP 4 HZ3 TRP 4 -2.314 4.136 -6.409
24 HH2 TRP 4 HH2 TRP 4 -1.329 6.279 -5.633
25 H GLU 5 H GLU 5 -0.849 0.342 -9.541
26 HA GLU 5 HA GLU 5 -1.880 -1.246 -11.857
27 1HB GLU 5 HB1 GLU 5 -0.489 -2.186 -9.331
28 2HB GLU 5 HB2 GLU 5 -1.419 -3.251 -10.410
29 1HG GLU 5 HG1 GLU 5 0.003 -2.605 -12.322
30 2HG GLU 5 HG2 GLU 5 0.940 -1.525 -11.287
31 H GLY 6 H GLY 6 -3.836 -0.333 -11.819
32 1HA GLY 6 HA1 GLY 6 -6.093 -0.456 -11.460
33 2HA GLY 6 HA2 GLY 6 -5.792 -1.660 -10.202
34 H ASN 7 H ASN 7 -4.854 -0.712 -8.170
35 HA ASN 7 HA ASN 7 -5.754 2.018 -7.469
36 1HB ASN 7 HB1 ASN 7 -7.204 1.357 -5.700
37 2HB ASN 7 HB2 ASN 7 -7.727 0.518 -7.154
38 1HD2 ASN 7 HD22 ASN 7 -7.744 -0.031 -4.004
39 2HD2 ASN 7 HD21 ASN 7 -7.273 -1.736 -4.036
40 H LYS 8 H LYS 8 -3.203 -0.047 -7.375
41 HA LYS 8 HA LYS 8 -2.109 1.390 -4.996
42 1HB LYS 8 HB1 LYS 8 -0.836 -0.537 -4.306
43 2HB LYS 8 HB2 LYS 8 -2.547 -0.958 -4.314
44 1HG LYS 8 HG1 LYS 8 -2.273 -2.149 -6.455
45 2HG LYS 8 HG2 LYS 8 -0.577 -1.679 -6.545
46 1HD LYS 8 HD1 LYS 8 -1.803 -3.490 -4.426
47 2HD LYS 8 HD2 LYS 8 -0.886 -4.011 -5.844
48 1HE LYS 8 HE1 LYS 8 1.122 -2.821 -4.994
49 2HE LYS 8 HE2 LYS 8 0.211 -2.343 -3.549
50 1HZ LYS 8 HZ1 LYS 8 0.771 -5.102 -4.382
51 2HZ LYS 8 HZ2 LYS 8 1.524 -4.289 -3.162
52 3HZ LYS 8 HZ3 LYS 8 -0.078 -4.656 -3.041
53 H LEU 9 H LEU 9 0.191 1.601 -4.977
54 HA LEU 9 HA LEU 9 1.454 1.721 -7.675
55 1HB LEU 9 HB1 LEU 9 1.415 3.873 -6.349
56 2HB LEU 9 HB2 LEU 9 2.285 3.039 -5.058
57 HG LEU 9 HG LEU 9 4.102 2.523 -6.859
58 1HD1 LEU 9 HD11 LEU 9 2.580 3.317 -8.796
59 2HD1 LEU 9 HD12 LEU 9 2.910 4.955 -8.220
60 3HD1 LEU 9 HD13 LEU 9 4.243 3.930 -8.775
61 1HD2 LEU 9 HD21 LEU 9 4.444 4.124 -5.029
62 2HD2 LEU 9 HD22 LEU 9 5.186 4.696 -6.532
63 3HD2 LEU 9 HD23 LEU 9 3.648 5.399 -5.980
64 H THR 10 H THR 10 3.045 0.249 -8.053
65 HA THR 10 HA THR 10 3.927 -1.506 -5.778
66 HB THR 10 HB THR 10 3.446 -2.472 -8.617
67 HG1 THR 10 HG1 THR 10 1.469 -2.046 -7.998
68 1HG2 THR 10 HG21 THR 10 3.227 -4.665 -7.353
69 2HG2 THR 10 HG22 THR 10 4.864 -3.983 -7.347
70 3HG2 THR 10 HG23 THR 10 3.824 -3.833 -5.908
71 H CYS 11 H CYS 11 6.016 -1.318 -5.416
72 HA CYS 11 HA CYS 11 7.853 -0.456 -7.569
73 1HB CYS 11 HB1 CYS 11 8.129 -0.379 -4.564
74 2HB CYS 11 HB2 CYS 11 9.364 0.148 -5.699
75 1HN NH2 12 HN1 NH2 12 10.071 -1.402 -7.574
76 2HN NH2 12 HN2 NH2 12 10.244 -3.104 -7.152
Start of MODEL 11
1 1H ACE 1 HA1 ACE 1 11.912 1.088 -10.029
2 2H ACE 1 HA2 ACE 1 11.148 0.822 -11.609
3 3H ACE 1 HA3 ACE 1 11.176 2.456 -10.893
4 H CYS 2 H CYS 2 8.975 2.817 -10.628
5 HA CYS 2 HA CYS 2 7.350 0.804 -9.186
6 1HB CYS 2 HB1 CYS 2 7.463 3.766 -8.607
7 2HB CYS 2 HB2 CYS 2 6.357 2.627 -7.838
8 H THR 3 H THR 3 5.170 0.733 -9.706
9 HA THR 3 HA THR 3 4.178 2.539 -11.832
10 HB THR 3 HB THR 3 5.392 0.582 -12.866
11 HG1 THR 3 HG1 THR 3 3.954 0.611 -14.475
12 1HG2 THR 3 HG21 THR 3 2.875 -0.993 -12.184
13 2HG2 THR 3 HG22 THR 3 4.242 -1.508 -13.185
14 3HG2 THR 3 HG23 THR 3 4.470 -1.274 -11.444
15 H TRP 4 H TRP 4 1.903 2.243 -12.340
16 HA TRP 4 HA TRP 4 0.333 1.955 -9.852
17 1HB TRP 4 HB1 TRP 4 -0.307 3.183 -12.552
18 2HB TRP 4 HB2 TRP 4 -1.481 2.998 -11.256
19 HD1 TRP 4 HD1 TRP 4 1.455 5.134 -12.279
20 HE1 TRP 4 HE1 TRP 4 1.840 7.013 -10.566
21 HE3 TRP 4 HE3 TRP 4 -1.855 3.640 -8.675
22 HZ2 TRP 4 HZ2 TRP 4 0.884 7.736 -7.942
23 HZ3 TRP 4 HZ3 TRP 4 -2.059 4.904 -6.554
24 HH2 TRP 4 HH2 TRP 4 -0.698 6.953 -6.176
25 H GLU 5 H GLU 5 -0.975 0.370 -9.415
26 HA GLU 5 HA GLU 5 -1.683 -1.677 -11.474
27 1HB GLU 5 HB1 GLU 5 0.272 -2.230 -10.037
28 2HB GLU 5 HB2 GLU 5 -0.758 -2.142 -8.608
29 1HG GLU 5 HG1 GLU 5 -1.976 -4.085 -9.227
30 2HG GLU 5 HG2 GLU 5 -1.515 -3.949 -10.930
31 H GLY 6 H GLY 6 -3.804 -0.962 -11.742
32 1HA GLY 6 HA1 GLY 6 -6.079 -1.083 -11.371
33 2HA GLY 6 HA2 GLY 6 -5.761 -1.935 -9.857
34 H ASN 7 H ASN 7 -4.937 -0.583 -8.107
35 HA ASN 7 HA ASN 7 -5.830 2.278 -7.994
36 1HB ASN 7 HB1 ASN 7 -6.560 0.240 -5.838
37 2HB ASN 7 HB2 ASN 7 -7.068 1.925 -5.924
38 1HD2 ASN 7 HD22 ASN 7 -8.490 2.475 -7.975
39 2HD2 ASN 7 HD21 ASN 7 -9.557 1.144 -8.436
40 H LYS 8 H LYS 8 -3.315 0.108 -7.455
41 HA LYS 8 HA LYS 8 -2.265 1.602 -5.072
42 1HB LYS 8 HB1 LYS 8 -1.809 -1.266 -5.934
43 2HB LYS 8 HB2 LYS 8 -1.187 -0.516 -4.464
44 1HG LYS 8 HG1 LYS 8 -3.423 -0.282 -3.534
45 2HG LYS 8 HG2 LYS 8 -4.175 -0.897 -5.009
46 1HD LYS 8 HD1 LYS 8 -2.300 -2.465 -3.198
47 2HD LYS 8 HD2 LYS 8 -4.056 -2.619 -3.231
48 1HE LYS 8 HE1 LYS 8 -2.299 -3.160 -5.664
49 2HE LYS 8 HE2 LYS 8 -2.743 -4.400 -4.488
50 1HZ LYS 8 HZ1 LYS 8 -5.042 -3.954 -4.985
51 2HZ LYS 8 HZ2 LYS 8 -4.613 -2.847 -6.131
52 3HZ LYS 8 HZ3 LYS 8 -4.210 -4.434 -6.322
53 H LEU 9 H LEU 9 0.059 1.522 -4.852
54 HA LEU 9 HA LEU 9 1.615 1.833 -7.372
55 1HB LEU 9 HB1 LEU 9 1.449 3.767 -5.811
56 2HB LEU 9 HB2 LEU 9 1.971 2.738 -4.488
57 HG LEU 9 HG LEU 9 4.183 2.465 -5.981
58 1HD1 LEU 9 HD11 LEU 9 3.200 3.887 -7.863
59 2HD1 LEU 9 HD12 LEU 9 3.244 5.264 -6.739
60 3HD1 LEU 9 HD13 LEU 9 4.751 4.456 -7.210
61 1HD2 LEU 9 HD21 LEU 9 3.382 4.819 -4.224
62 2HD2 LEU 9 HD22 LEU 9 4.219 3.330 -3.744
63 3HD2 LEU 9 HD23 LEU 9 5.053 4.525 -4.751
64 H THR 10 H THR 10 2.896 0.118 -7.891
65 HA THR 10 HA THR 10 3.996 -1.628 -5.697
66 HB THR 10 HB THR 10 3.273 -2.389 -8.555
67 HG1 THR 10 HG1 THR 10 1.851 -3.798 -7.431
68 1HG2 THR 10 HG21 THR 10 3.872 -4.691 -7.959
69 2HG2 THR 10 HG22 THR 10 5.290 -3.665 -7.813
70 3HG2 THR 10 HG23 THR 10 4.413 -4.172 -6.351
71 H CYS 11 H CYS 11 6.220 -2.158 -5.868
72 HA CYS 11 HA CYS 11 7.781 -0.696 -7.940
73 1HB CYS 11 HB1 CYS 11 8.442 -1.031 -5.011
74 2HB CYS 11 HB2 CYS 11 9.506 -0.310 -6.214
75 1HN NH2 12 HN1 NH2 12 9.859 -1.652 -8.492
76 2HN NH2 12 HN2 NH2 12 10.031 -3.403 -8.335
Start of MODEL 12
1 1H ACE 1 HA1 ACE 1 11.806 2.296 -10.263
2 2H ACE 1 HA2 ACE 1 11.735 0.752 -11.140
3 3H ACE 1 HA3 ACE 1 10.962 2.191 -11.834
4 H CYS 2 H CYS 2 9.103 3.062 -10.724
5 HA CYS 2 HA CYS 2 7.545 1.082 -9.128
6 1HB CYS 2 HB1 CYS 2 7.484 4.102 -9.226
7 2HB CYS 2 HB2 CYS 2 6.248 3.148 -8.408
8 H THR 3 H THR 3 5.431 0.633 -9.775
9 HA THR 3 HA THR 3 4.353 2.028 -12.168
10 HB THR 3 HB THR 3 5.371 -0.074 -12.992
11 HG1 THR 3 HG1 THR 3 2.895 -0.724 -13.538
12 1HG2 THR 3 HG21 THR 3 4.138 -2.209 -12.660
13 2HG2 THR 3 HG22 THR 3 4.983 -1.676 -11.208
14 3HG2 THR 3 HG23 THR 3 3.217 -1.469 -11.338
15 H TRP 4 H TRP 4 2.033 1.569 -12.490
16 HA TRP 4 HA TRP 4 0.527 1.614 -9.900
17 1HB TRP 4 HB1 TRP 4 0.023 2.959 -12.583
18 2HB TRP 4 HB2 TRP 4 -1.253 2.730 -11.400
19 HD1 TRP 4 HD1 TRP 4 1.594 4.993 -12.183
20 HE1 TRP 4 HE1 TRP 4 1.815 6.815 -10.379
21 HE3 TRP 4 HE3 TRP 4 -1.676 3.114 -8.725
22 HZ2 TRP 4 HZ2 TRP 4 0.698 7.390 -7.783
23 HZ3 TRP 4 HZ3 TRP 4 -2.067 4.303 -6.582
24 HH2 TRP 4 HH2 TRP 4 -0.912 6.458 -6.116
25 H GLU 5 H GLU 5 -1.175 0.341 -9.579
26 HA GLU 5 HA GLU 5 -2.215 -1.441 -11.733
27 1HB GLU 5 HB1 GLU 5 -1.325 -2.308 -8.951
28 2HB GLU 5 HB2 GLU 5 -2.097 -3.331 -10.161
29 1HG GLU 5 HG1 GLU 5 0.671 -2.064 -10.317
30 2HG GLU 5 HG2 GLU 5 0.297 -3.760 -10.053
31 H GLY 6 H GLY 6 -4.226 -0.437 -11.844
32 1HA GLY 6 HA1 GLY 6 -6.476 -0.331 -11.396
33 2HA GLY 6 HA2 GLY 6 -6.193 -1.423 -10.042
34 H ASN 7 H ASN 7 -5.228 -0.363 -8.107
35 HA ASN 7 HA ASN 7 -5.847 2.495 -7.682
36 1HB ASN 7 HB1 ASN 7 -7.593 0.364 -6.691
37 2HB ASN 7 HB2 ASN 7 -6.877 1.216 -5.335
38 1HD2 ASN 7 HD22 ASN 7 -8.066 2.244 -8.629
39 2HD2 ASN 7 HD21 ASN 7 -9.139 3.462 -7.896
40 H LYS 8 H LYS 8 -3.532 0.291 -7.548
41 HA LYS 8 HA LYS 8 -2.244 1.217 -4.977
42 1HB LYS 8 HB1 LYS 8 -2.445 -1.563 -6.212
43 2HB LYS 8 HB2 LYS 8 -1.468 -1.150 -4.807
44 1HG LYS 8 HG1 LYS 8 -4.515 -0.857 -4.907
45 2HG LYS 8 HG2 LYS 8 -3.651 -2.245 -4.255
46 1HD LYS 8 HD1 LYS 8 -2.444 -0.685 -2.675
47 2HD LYS 8 HD2 LYS 8 -3.499 0.627 -3.215
48 1HE LYS 8 HE1 LYS 8 -4.406 -1.962 -1.889
49 2HE LYS 8 HE2 LYS 8 -4.205 -0.399 -1.081
50 1HZ LYS 8 HZ1 LYS 8 -5.900 0.495 -2.507
51 2HZ LYS 8 HZ2 LYS 8 -6.119 -0.975 -3.227
52 3HZ LYS 8 HZ3 LYS 8 -6.460 -0.780 -1.627
53 H LEU 9 H LEU 9 -0.025 0.850 -4.899
54 HA LEU 9 HA LEU 9 1.454 1.260 -7.470
55 1HB LEU 9 HB1 LEU 9 1.209 3.156 -5.736
56 2HB LEU 9 HB2 LEU 9 2.286 2.189 -4.722
57 HG LEU 9 HG LEU 9 3.883 2.146 -6.780
58 1HD1 LEU 9 HD11 LEU 9 1.935 3.109 -8.309
59 2HD1 LEU 9 HD12 LEU 9 2.453 4.659 -7.649
60 3HD1 LEU 9 HD13 LEU 9 3.598 3.632 -8.545
61 1HD2 LEU 9 HD21 LEU 9 3.248 4.636 -5.177
62 2HD2 LEU 9 HD22 LEU 9 4.541 3.440 -4.930
63 3HD2 LEU 9 HD23 LEU 9 4.623 4.559 -6.302
64 H THR 10 H THR 10 3.280 0.060 -7.829
65 HA THR 10 HA THR 10 4.305 -1.759 -5.686
66 HB THR 10 HB THR 10 4.681 -3.522 -7.330
67 HG1 THR 10 HG1 THR 10 4.596 -1.766 -9.045
68 1HG2 THR 10 HG21 THR 10 2.391 -4.249 -7.829
69 2HG2 THR 10 HG22 THR 10 2.499 -3.626 -6.167
70 3HG2 THR 10 HG23 THR 10 1.764 -2.638 -7.453
71 H CYS 11 H CYS 11 6.585 -1.638 -5.528
72 HA CYS 11 HA CYS 11 8.042 -0.237 -7.719
73 1HB CYS 11 HB1 CYS 11 8.364 0.102 -4.732
74 2HB CYS 11 HB2 CYS 11 9.434 0.782 -5.952
75 1HN NH2 12 HN1 NH2 12 10.043 -1.032 -8.295
76 2HN NH2 12 HN2 NH2 12 10.689 -2.515 -7.596
Start of MODEL 13
1 1H ACE 1 HA1 ACE 1 11.692 2.833 -10.102
2 2H ACE 1 HA2 ACE 1 11.301 2.084 -11.666
3 3H ACE 1 HA3 ACE 1 10.611 3.666 -11.244
4 H CYS 2 H CYS 2 8.533 3.560 -10.599
5 HA CYS 2 HA CYS 2 7.512 1.034 -9.454
6 1HB CYS 2 HB1 CYS 2 6.610 3.775 -8.577
7 2HB CYS 2 HB2 CYS 2 6.189 2.226 -7.843
8 H THR 3 H THR 3 5.306 0.597 -9.811
9 HA THR 3 HA THR 3 3.932 2.027 -12.048
10 HB THR 3 HB THR 3 5.154 0.216 -13.098
11 HG1 THR 3 HG1 THR 3 2.954 -1.106 -13.367
12 1HG2 THR 3 HG21 THR 3 4.658 -2.165 -12.597
13 2HG2 THR 3 HG22 THR 3 5.513 -1.365 -11.278
14 3HG2 THR 3 HG23 THR 3 3.770 -1.671 -11.136
15 H TRP 4 H TRP 4 1.703 1.148 -12.306
16 HA TRP 4 HA TRP 4 0.374 1.069 -9.619
17 1HB TRP 4 HB1 TRP 4 -0.481 2.283 -12.254
18 2HB TRP 4 HB2 TRP 4 -1.582 2.016 -10.910
19 HD1 TRP 4 HD1 TRP 4 1.291 4.238 -11.972
20 HE1 TRP 4 HE1 TRP 4 1.481 6.239 -10.369
21 HE3 TRP 4 HE3 TRP 4 -2.116 2.784 -8.446
22 HZ2 TRP 4 HZ2 TRP 4 0.285 7.107 -7.889
23 HZ3 TRP 4 HZ3 TRP 4 -2.540 4.190 -6.446
24 HH2 TRP 4 HH2 TRP 4 -1.352 6.352 -6.162
25 H GLU 5 H GLU 5 -1.235 -0.296 -9.239
26 HA GLU 5 HA GLU 5 -2.012 -2.397 -11.222
27 1HB GLU 5 HB1 GLU 5 -2.484 -2.539 -8.226
28 2HB GLU 5 HB2 GLU 5 -2.568 -3.815 -9.437
29 1HG GLU 5 HG1 GLU 5 -0.589 -4.299 -8.334
30 2HG GLU 5 HG2 GLU 5 -0.016 -3.442 -9.766
31 H GLY 6 H GLY 6 -2.917 0.260 -11.349
32 1HA GLY 6 HA1 GLY 6 -4.923 1.375 -11.846
33 2HA GLY 6 HA2 GLY 6 -5.844 0.029 -11.154
34 H ASN 7 H ASN 7 -5.545 -0.244 -8.778
35 HA ASN 7 HA ASN 7 -6.221 2.348 -7.493
36 1HB ASN 7 HB1 ASN 7 -7.764 0.369 -7.704
37 2HB ASN 7 HB2 ASN 7 -6.731 -0.525 -6.603
38 1HD2 ASN 7 HD22 ASN 7 -6.330 1.646 -4.596
39 2HD2 ASN 7 HD21 ASN 7 -7.958 1.773 -3.894
40 H LYS 8 H LYS 8 -3.631 0.095 -7.383
41 HA LYS 8 HA LYS 8 -2.416 1.355 -4.938
42 1HB LYS 8 HB1 LYS 8 -2.535 -1.613 -5.666
43 2HB LYS 8 HB2 LYS 8 -1.386 -0.933 -4.525
44 1HG LYS 8 HG1 LYS 8 -2.861 -1.539 -2.996
45 2HG LYS 8 HG2 LYS 8 -3.620 0.007 -3.361
46 1HD LYS 8 HD1 LYS 8 -5.228 -1.161 -4.863
47 2HD LYS 8 HD2 LYS 8 -4.439 -2.710 -4.525
48 1HE LYS 8 HE1 LYS 8 -5.617 -0.935 -2.350
49 2HE LYS 8 HE2 LYS 8 -6.562 -2.178 -3.186
50 1HZ LYS 8 HZ1 LYS 8 -4.104 -2.692 -1.668
51 2HZ LYS 8 HZ2 LYS 8 -5.637 -2.952 -1.124
52 3HZ LYS 8 HZ3 LYS 8 -5.060 -3.821 -2.398
53 H LEU 9 H LEU 9 0.006 1.100 -4.892
54 HA LEU 9 HA LEU 9 1.274 1.041 -7.593
55 1HB LEU 9 HB1 LEU 9 1.149 3.287 -7.012
56 2HB LEU 9 HB2 LEU 9 1.500 3.022 -5.322
57 HG LEU 9 HG LEU 9 3.669 2.480 -7.379
58 1HD1 LEU 9 HD11 LEU 9 2.927 5.212 -6.263
59 2HD1 LEU 9 HD12 LEU 9 4.406 4.828 -7.170
60 3HD1 LEU 9 HD13 LEU 9 2.834 4.693 -7.963
61 1HD2 LEU 9 HD21 LEU 9 3.606 3.298 -4.439
62 2HD2 LEU 9 HD22 LEU 9 4.405 1.893 -5.174
63 3HD2 LEU 9 HD23 LEU 9 5.058 3.505 -5.425
64 H THR 10 H THR 10 3.159 -0.093 -7.824
65 HA THR 10 HA THR 10 4.536 -1.104 -5.404
66 HB THR 10 HB THR 10 4.945 -3.305 -6.608
67 HG1 THR 10 HG1 THR 10 2.655 -2.477 -8.041
68 1HG2 THR 10 HG21 THR 10 2.886 -4.317 -5.796
69 2HG2 THR 10 HG22 THR 10 3.451 -3.087 -4.652
70 3HG2 THR 10 HG23 THR 10 2.091 -2.731 -5.724
71 H CYS 11 H CYS 11 6.786 -1.581 -5.669
72 HA CYS 11 HA CYS 11 8.023 -0.253 -8.027
73 1HB CYS 11 HB1 CYS 11 9.036 -0.377 -5.175
74 2HB CYS 11 HB2 CYS 11 9.807 0.469 -6.509
75 1HN NH2 12 HN1 NH2 12 10.174 -1.007 -8.686
76 2HN NH2 12 HN2 NH2 12 10.602 -2.682 -8.331
Start of MODEL 14
1 1H ACE 1 HA1 ACE 1 10.542 2.039 -12.187
2 2H ACE 1 HA2 ACE 1 11.266 2.846 -10.766
3 3H ACE 1 HA3 ACE 1 11.553 1.114 -11.054
4 H CYS 2 H CYS 2 8.606 3.133 -11.139
5 HA CYS 2 HA CYS 2 7.285 1.197 -9.322
6 1HB CYS 2 HB1 CYS 2 7.077 4.211 -9.357
7 2HB CYS 2 HB2 CYS 2 5.903 3.165 -8.563
8 H THR 3 H THR 3 5.185 0.725 -9.734
9 HA THR 3 HA THR 3 3.907 1.663 -12.254
10 HB THR 3 HB THR 3 4.849 -1.082 -11.498
11 HG1 THR 3 HG1 THR 3 4.901 -0.940 -13.932
12 1HG2 THR 3 HG21 THR 3 3.364 -2.140 -13.152
13 2HG2 THR 3 HG22 THR 3 2.487 -1.555 -11.749
14 3HG2 THR 3 HG23 THR 3 2.413 -0.635 -13.272
15 H TRP 4 H TRP 4 1.830 1.998 -12.075
16 HA TRP 4 HA TRP 4 0.373 1.455 -9.564
17 1HB TRP 4 HB1 TRP 4 -0.336 2.972 -12.105
18 2HB TRP 4 HB2 TRP 4 -1.485 2.648 -10.814
19 HD1 TRP 4 HD1 TRP 4 1.294 4.974 -11.742
20 HE1 TRP 4 HE1 TRP 4 1.526 6.808 -9.952
21 HE3 TRP 4 HE3 TRP 4 -1.619 2.908 -8.086
22 HZ2 TRP 4 HZ2 TRP 4 0.467 7.372 -7.337
23 HZ3 TRP 4 HZ3 TRP 4 -1.978 4.108 -5.934
24 HH2 TRP 4 HH2 TRP 4 -0.961 6.346 -5.563
25 H GLU 5 H GLU 5 -0.746 -0.326 -9.266
26 HA GLU 5 HA GLU 5 -1.660 -1.956 -11.612
27 1HB GLU 5 HB1 GLU 5 -1.089 -2.759 -8.741
28 2HB GLU 5 HB2 GLU 5 -1.751 -3.828 -9.982
29 1HG GLU 5 HG1 GLU 5 0.854 -2.429 -10.598
30 2HG GLU 5 HG2 GLU 5 0.880 -3.687 -9.386
31 H GLY 6 H GLY 6 -3.254 -0.331 -11.868
32 1HA GLY 6 HA1 GLY 6 -5.434 0.462 -11.715
33 2HA GLY 6 HA2 GLY 6 -5.769 -0.733 -10.451
34 H ASN 7 H ASN 7 -5.813 -0.073 -8.389
35 HA ASN 7 HA ASN 7 -5.394 2.820 -7.809
36 1HB ASN 7 HB1 ASN 7 -7.062 0.683 -6.420
37 2HB ASN 7 HB2 ASN 7 -7.002 2.388 -5.966
38 1HD2 ASN 7 HD22 ASN 7 -7.993 4.000 -7.435
39 2HD2 ASN 7 HD21 ASN 7 -9.120 3.377 -8.646
40 H LYS 8 H LYS 8 -3.595 0.112 -7.397
41 HA LYS 8 HA LYS 8 -2.412 0.865 -4.726
42 1HB LYS 8 HB1 LYS 8 -2.740 -1.798 -6.174
43 2HB LYS 8 HB2 LYS 8 -1.575 -1.554 -4.886
44 1HG LYS 8 HG1 LYS 8 -3.479 -2.662 -4.021
45 2HG LYS 8 HG2 LYS 8 -3.342 -1.080 -3.264
46 1HD LYS 8 HD1 LYS 8 -5.282 -0.259 -4.363
47 2HD LYS 8 HD2 LYS 8 -5.253 -1.553 -5.586
48 1HE LYS 8 HE1 LYS 8 -5.722 -3.223 -3.800
49 2HE LYS 8 HE2 LYS 8 -5.774 -1.918 -2.604
50 1HZ LYS 8 HZ1 LYS 8 -7.607 -0.984 -3.933
51 2HZ LYS 8 HZ2 LYS 8 -7.618 -2.362 -4.841
52 3HZ LYS 8 HZ3 LYS 8 -7.948 -2.435 -3.230
53 H LEU 9 H LEU 9 -0.209 1.283 -4.704
54 HA LEU 9 HA LEU 9 1.213 1.373 -7.311
55 1HB LEU 9 HB1 LEU 9 1.126 3.407 -5.840
56 2HB LEU 9 HB2 LEU 9 1.954 2.496 -4.579
57 HG LEU 9 HG LEU 9 3.880 2.161 -6.285
58 1HD1 LEU 9 HD11 LEU 9 2.345 4.379 -7.695
59 2HD1 LEU 9 HD12 LEU 9 3.986 3.873 -8.084
60 3HD1 LEU 9 HD13 LEU 9 2.648 2.750 -8.341
61 1HD2 LEU 9 HD21 LEU 9 3.137 4.874 -5.154
62 2HD2 LEU 9 HD22 LEU 9 4.241 3.647 -4.489
63 3HD2 LEU 9 HD23 LEU 9 4.699 4.545 -5.939
64 H THR 10 H THR 10 2.912 0.033 -7.787
65 HA THR 10 HA THR 10 4.172 -1.490 -5.567
66 HB THR 10 HB THR 10 4.315 -3.495 -6.871
67 HG1 THR 10 HG1 THR 10 2.949 -1.996 -8.848
68 1HG2 THR 10 HG21 THR 10 1.406 -2.618 -7.069
69 2HG2 THR 10 HG22 THR 10 2.051 -4.253 -6.848
70 3HG2 THR 10 HG23 THR 10 2.185 -3.066 -5.537
71 H CYS 11 H CYS 11 6.471 -1.873 -5.851
72 HA CYS 11 HA CYS 11 7.727 -0.388 -8.090
73 1HB CYS 11 HB1 CYS 11 8.253 0.092 -5.141
74 2HB CYS 11 HB2 CYS 11 9.134 0.835 -6.470
75 1HN NH2 12 HN1 NH2 12 9.974 -0.830 -8.430
76 2HN NH2 12 HN2 NH2 12 10.710 -2.270 -7.721
Start of MODEL 15
1 1H ACE 1 HA1 ACE 1 11.237 2.371 -11.403
2 2H ACE 1 HA2 ACE 1 11.738 2.869 -9.764
3 3H ACE 1 HA3 ACE 1 12.121 1.242 -10.361
4 H CYS 2 H CYS 2 9.070 3.056 -10.654
5 HA CYS 2 HA CYS 2 7.660 0.851 -9.286
6 1HB CYS 2 HB1 CYS 2 7.081 3.779 -8.814
7 2HB CYS 2 HB2 CYS 2 6.262 2.444 -8.017
8 H THR 3 H THR 3 5.357 0.853 -9.652
9 HA THR 3 HA THR 3 4.348 2.022 -12.188
10 HB THR 3 HB THR 3 3.404 -0.282 -12.765
11 HG1 THR 3 HG1 THR 3 5.401 -1.043 -10.911
12 1HG2 THR 3 HG21 THR 3 5.498 -1.096 -13.808
13 2HG2 THR 3 HG22 THR 3 5.210 0.632 -14.083
14 3HG2 THR 3 HG23 THR 3 6.420 0.112 -12.892
15 H TRP 4 H TRP 4 1.909 1.121 -12.409
16 HA TRP 4 HA TRP 4 0.476 1.362 -9.799
17 1HB TRP 4 HB1 TRP 4 -0.092 2.862 -12.381
18 2HB TRP 4 HB2 TRP 4 -1.297 2.586 -11.137
19 HD1 TRP 4 HD1 TRP 4 1.605 4.807 -11.938
20 HE1 TRP 4 HE1 TRP 4 1.730 6.705 -10.199
21 HE3 TRP 4 HE3 TRP 4 -1.846 3.082 -8.584
22 HZ2 TRP 4 HZ2 TRP 4 0.658 7.260 -7.576
23 HZ3 TRP 4 HZ3 TRP 4 -2.191 4.240 -6.414
24 HH2 TRP 4 HH2 TRP 4 -0.936 6.319 -5.896
25 H GLU 5 H GLU 5 -1.105 0.119 -9.506
26 HA GLU 5 HA GLU 5 -2.169 -1.712 -11.606
27 1HB GLU 5 HB1 GLU 5 -1.263 -2.366 -8.767
28 2HB GLU 5 HB2 GLU 5 -2.188 -3.439 -9.808
29 1HG GLU 5 HG1 GLU 5 0.141 -4.088 -9.740
30 2HG GLU 5 HG2 GLU 5 -0.364 -3.665 -11.371
31 H GLY 6 H GLY 6 -3.932 -0.217 -11.744
32 1HA GLY 6 HA1 GLY 6 -6.160 0.167 -11.555
33 2HA GLY 6 HA2 GLY 6 -6.230 -1.158 -10.406
34 H ASN 7 H ASN 7 -5.175 -0.334 -8.193
35 HA ASN 7 HA ASN 7 -5.952 2.424 -7.429
36 1HB ASN 7 HB1 ASN 7 -7.940 0.809 -7.115
37 2HB ASN 7 HB2 ASN 7 -7.036 0.093 -5.788
38 1HD2 ASN 7 HD22 ASN 7 -6.082 2.375 -4.410
39 2HD2 ASN 7 HD21 ASN 7 -7.526 3.287 -3.891
40 H LYS 8 H LYS 8 -3.555 0.264 -7.576
41 HA LYS 8 HA LYS 8 -2.201 0.996 -4.996
42 1HB LYS 8 HB1 LYS 8 -3.161 -1.347 -5.031
43 2HB LYS 8 HB2 LYS 8 -2.282 -1.648 -6.518
44 1HG LYS 8 HG1 LYS 8 -1.046 -2.746 -4.930
45 2HG LYS 8 HG2 LYS 8 -0.108 -1.302 -5.166
46 1HD LYS 8 HD1 LYS 8 -2.093 -1.769 -2.889
47 2HD LYS 8 HD2 LYS 8 -0.347 -2.028 -2.788
48 1HE LYS 8 HE1 LYS 8 0.067 0.357 -3.226
49 2HE LYS 8 HE2 LYS 8 -1.683 0.653 -3.301
50 1HZ LYS 8 HZ1 LYS 8 -0.431 -0.517 -0.953
51 2HZ LYS 8 HZ2 LYS 8 -0.586 1.113 -1.159
52 3HZ LYS 8 HZ3 LYS 8 -1.929 0.159 -1.100
53 H LEU 9 H LEU 9 0.041 0.943 -5.075
54 HA LEU 9 HA LEU 9 1.344 1.371 -7.714
55 1HB LEU 9 HB1 LEU 9 1.090 3.474 -6.541
56 2HB LEU 9 HB2 LEU 9 1.637 2.774 -5.033
57 HG LEU 9 HG LEU 9 3.691 2.458 -7.121
58 1HD1 LEU 9 HD11 LEU 9 2.819 5.296 -6.466
59 2HD1 LEU 9 HD12 LEU 9 4.325 4.827 -7.292
60 3HD1 LEU 9 HD13 LEU 9 2.763 4.502 -8.059
61 1HD2 LEU 9 HD21 LEU 9 4.042 2.229 -4.675
62 2HD2 LEU 9 HD22 LEU 9 5.096 3.466 -5.385
63 3HD2 LEU 9 HD23 LEU 9 3.655 3.951 -4.468
64 H THR 10 H THR 10 3.232 0.186 -7.986
65 HA THR 10 HA THR 10 4.270 -1.427 -5.674
66 HB THR 10 HB THR 10 3.838 -2.529 -8.479
67 HG1 THR 10 HG1 THR 10 1.978 -2.378 -7.225
68 1HG2 THR 10 HG21 THR 10 4.430 -4.721 -7.283
69 2HG2 THR 10 HG22 THR 10 5.783 -3.633 -7.612
70 3HG2 THR 10 HG23 THR 10 5.092 -3.729 -5.972
71 H CYS 11 H CYS 11 6.515 -1.831 -5.709
72 HA CYS 11 HA CYS 11 8.132 -0.350 -7.721
73 1HB CYS 11 HB1 CYS 11 8.393 -0.337 -4.702
74 2HB CYS 11 HB2 CYS 11 9.549 0.393 -5.811
75 1HN NH2 12 HN1 NH2 12 10.340 -1.080 -7.941
76 2HN NH2 12 HN2 NH2 12 10.790 -2.691 -7.374
Start of MODEL 16
1 1H ACE 1 HA1 ACE 1 10.658 1.528 -12.088
2 2H ACE 1 HA2 ACE 1 11.434 1.947 -10.539
3 3H ACE 1 HA3 ACE 1 11.497 0.277 -11.145
4 H CYS 2 H CYS 2 8.812 2.628 -10.931
5 HA CYS 2 HA CYS 2 7.322 0.651 -9.348
6 1HB CYS 2 HB1 CYS 2 7.505 3.632 -8.903
7 2HB CYS 2 HB2 CYS 2 6.357 2.596 -8.049
8 H THR 3 H THR 3 5.027 0.701 -9.562
9 HA THR 3 HA THR 3 4.055 1.955 -12.099
10 HB THR 3 HB THR 3 3.100 -0.096 -12.819
11 HG1 THR 3 HG1 THR 3 3.908 -1.090 -10.298
12 1HG2 THR 3 HG21 THR 3 5.823 -0.985 -11.808
13 2HG2 THR 3 HG22 THR 3 4.937 -1.553 -13.232
14 3HG2 THR 3 HG23 THR 3 5.607 0.093 -13.210
15 H TRP 4 H TRP 4 1.877 2.400 -12.260
16 HA TRP 4 HA TRP 4 0.245 2.332 -9.812
17 1HB TRP 4 HB1 TRP 4 -0.034 3.646 -12.510
18 2HB TRP 4 HB2 TRP 4 -1.443 3.395 -11.483
19 HD1 TRP 4 HD1 TRP 4 1.351 5.779 -11.939
20 HE1 TRP 4 HE1 TRP 4 1.461 7.460 -9.991
21 HE3 TRP 4 HE3 TRP 4 -1.815 3.446 -8.644
22 HZ2 TRP 4 HZ2 TRP 4 0.445 7.684 -7.322
23 HZ3 TRP 4 HZ3 TRP 4 -2.193 4.403 -6.392
24 HH2 TRP 4 HH2 TRP 4 -1.046 6.496 -5.705
25 H GLU 5 H GLU 5 -0.432 0.441 -9.317
26 HA GLU 5 HA GLU 5 -1.193 -1.547 -11.382
27 1HB GLU 5 HB1 GLU 5 0.735 -2.040 -9.934
28 2HB GLU 5 HB2 GLU 5 -0.261 -1.845 -8.494
29 1HG GLU 5 HG1 GLU 5 -1.617 -3.809 -9.150
30 2HG GLU 5 HG2 GLU 5 -0.689 -3.961 -10.652
31 H GLY 6 H GLY 6 -3.255 -0.729 -11.715
32 1HA GLY 6 HA1 GLY 6 -5.539 -0.981 -11.615
33 2HA GLY 6 HA2 GLY 6 -5.333 -2.022 -10.204
34 H ASN 7 H ASN 7 -4.566 -0.686 -8.256
35 HA ASN 7 HA ASN 7 -5.698 2.022 -7.984
36 1HB ASN 7 HB1 ASN 7 -7.175 1.504 -6.124
37 2HB ASN 7 HB2 ASN 7 -7.647 0.551 -7.523
38 1HD2 ASN 7 HD22 ASN 7 -5.549 0.308 -4.599
39 2HD2 ASN 7 HD21 ASN 7 -6.030 -1.380 -4.273
40 H LYS 8 H LYS 8 -3.085 0.295 -7.647
41 HA LYS 8 HA LYS 8 -2.198 1.232 -4.927
42 1HB LYS 8 HB1 LYS 8 -2.932 -1.184 -5.131
43 2HB LYS 8 HB2 LYS 8 -1.694 -1.427 -6.366
44 1HG LYS 8 HG1 LYS 8 0.078 -1.036 -4.775
45 2HG LYS 8 HG2 LYS 8 -1.077 -0.471 -3.548
46 1HD LYS 8 HD1 LYS 8 -2.025 -2.689 -3.305
47 2HD LYS 8 HD2 LYS 8 -1.127 -3.296 -4.707
48 1HE LYS 8 HE1 LYS 8 -0.075 -4.049 -2.630
49 2HE LYS 8 HE2 LYS 8 1.003 -2.960 -3.521
50 1HZ LYS 8 HZ1 LYS 8 0.166 -1.187 -2.061
51 2HZ LYS 8 HZ2 LYS 8 -0.622 -2.322 -1.163
52 3HZ LYS 8 HZ3 LYS 8 1.027 -2.350 -1.269
53 H LEU 9 H LEU 9 0.144 1.418 -4.756
54 HA LEU 9 HA LEU 9 1.509 1.967 -7.353
55 1HB LEU 9 HB1 LEU 9 1.143 4.026 -5.985
56 2HB LEU 9 HB2 LEU 9 2.130 3.302 -4.710
57 HG LEU 9 HG LEU 9 3.995 3.054 -6.501
58 1HD1 LEU 9 HD11 LEU 9 2.492 3.452 -8.516
59 2HD1 LEU 9 HD12 LEU 9 2.270 5.104 -7.939
60 3HD1 LEU 9 HD13 LEU 9 3.874 4.551 -8.439
61 1HD2 LEU 9 HD21 LEU 9 3.031 5.853 -5.784
62 2HD2 LEU 9 HD22 LEU 9 4.070 4.817 -4.778
63 3HD2 LEU 9 HD23 LEU 9 4.668 5.427 -6.331
64 H THR 10 H THR 10 2.484 0.112 -7.771
65 HA THR 10 HA THR 10 3.847 -1.361 -5.543
66 HB THR 10 HB THR 10 2.841 -2.536 -8.153
67 HG1 THR 10 HG1 THR 10 1.158 -3.320 -6.862
68 1HG2 THR 10 HG21 THR 10 3.609 -3.835 -5.492
69 2HG2 THR 10 HG22 THR 10 3.107 -4.674 -6.974
70 3HG2 THR 10 HG23 THR 10 4.654 -3.820 -6.930
71 H CYS 11 H CYS 11 5.978 -1.753 -5.670
72 HA CYS 11 HA CYS 11 7.408 -0.818 -8.088
73 1HB CYS 11 HB1 CYS 11 8.350 -1.081 -5.220
74 2HB CYS 11 HB2 CYS 11 9.329 -0.471 -6.550
75 1HN NH2 12 HN1 NH2 12 9.190 -2.041 -8.933
76 2HN NH2 12 HN2 NH2 12 9.277 -3.764 -8.554
Start of MODEL 17
1 1H ACE 1 HA1 ACE 1 11.622 2.116 -10.739
2 2H ACE 1 HA2 ACE 1 12.103 0.569 -10.014
3 3H ACE 1 HA3 ACE 1 11.415 0.588 -11.650
4 H CYS 2 H CYS 2 9.267 2.429 -11.137
5 HA CYS 2 HA CYS 2 7.532 0.779 -9.379
6 1HB CYS 2 HB1 CYS 2 7.604 3.798 -9.489
7 2HB CYS 2 HB2 CYS 2 6.514 2.832 -8.492
8 H THR 3 H THR 3 5.434 0.594 -9.888
9 HA THR 3 HA THR 3 4.318 1.760 -12.410
10 HB THR 3 HB THR 3 3.484 -0.497 -13.043
11 HG1 THR 3 HG1 THR 3 4.104 -1.172 -10.707
12 1HG2 THR 3 HG21 THR 3 6.509 -0.622 -12.814
13 2HG2 THR 3 HG22 THR 3 5.463 -1.316 -14.067
14 3HG2 THR 3 HG23 THR 3 5.683 0.446 -13.973
15 H TRP 4 H TRP 4 2.118 2.214 -12.263
16 HA TRP 4 HA TRP 4 0.700 1.645 -9.738
17 1HB TRP 4 HB1 TRP 4 0.000 3.263 -12.207
18 2HB TRP 4 HB2 TRP 4 -1.143 2.933 -10.920
19 HD1 TRP 4 HD1 TRP 4 1.890 5.068 -11.686
20 HE1 TRP 4 HE1 TRP 4 2.122 6.899 -9.896
21 HE3 TRP 4 HE3 TRP 4 -1.579 3.381 -8.324
22 HZ2 TRP 4 HZ2 TRP 4 0.917 7.580 -7.370
23 HZ3 TRP 4 HZ3 TRP 4 -1.926 4.566 -6.177
24 HH2 TRP 4 HH2 TRP 4 -0.728 6.699 -5.712
25 H GLU 5 H GLU 5 -1.144 0.432 -9.538
26 HA GLU 5 HA GLU 5 -1.973 -1.386 -11.757
27 1HB GLU 5 HB1 GLU 5 -0.866 -2.114 -9.033
28 2HB GLU 5 HB2 GLU 5 -1.910 -3.219 -9.944
29 1HG GLU 5 HG1 GLU 5 -0.358 -3.272 -11.811
30 2HG GLU 5 HG2 GLU 5 0.702 -2.092 -11.034
31 H GLY 6 H GLY 6 -3.770 0.136 -11.779
32 1HA GLY 6 HA1 GLY 6 -6.028 0.480 -11.517
33 2HA GLY 6 HA2 GLY 6 -6.078 -0.951 -10.485
34 H ASN 7 H ASN 7 -5.362 -0.647 -8.284
35 HA ASN 7 HA ASN 7 -6.491 1.848 -6.990
36 1HB ASN 7 HB1 ASN 7 -7.855 -0.320 -7.171
37 2HB ASN 7 HB2 ASN 7 -6.752 -0.996 -5.977
38 1HD2 ASN 7 HD22 ASN 7 -6.488 1.175 -4.135
39 2HD2 ASN 7 HD21 ASN 7 -8.138 1.441 -3.508
40 H LYS 8 H LYS 8 -3.656 0.038 -7.401
41 HA LYS 8 HA LYS 8 -2.419 1.150 -4.940
42 1HB LYS 8 HB1 LYS 8 -1.333 -0.888 -4.394
43 2HB LYS 8 HB2 LYS 8 -3.047 -1.256 -4.554
44 1HG LYS 8 HG1 LYS 8 -2.607 -2.129 -6.876
45 2HG LYS 8 HG2 LYS 8 -0.885 -1.840 -6.640
46 1HD LYS 8 HD1 LYS 8 -2.629 -3.689 -4.955
47 2HD LYS 8 HD2 LYS 8 -1.533 -4.211 -6.239
48 1HE LYS 8 HE1 LYS 8 -0.714 -2.773 -3.682
49 2HE LYS 8 HE2 LYS 8 -0.524 -4.505 -3.992
50 1HZ LYS 8 HZ1 LYS 8 0.690 -2.420 -5.656
51 2HZ LYS 8 HZ2 LYS 8 1.467 -3.133 -4.390
52 3HZ LYS 8 HZ3 LYS 8 1.000 -4.038 -5.693
53 H LEU 9 H LEU 9 -0.042 0.813 -5.034
54 HA LEU 9 HA LEU 9 1.192 1.269 -7.698
55 1HB LEU 9 HB1 LEU 9 0.915 3.418 -6.501
56 2HB LEU 9 HB2 LEU 9 1.606 2.723 -5.045
57 HG LEU 9 HG LEU 9 3.807 2.504 -6.173
58 1HD1 LEU 9 HD11 LEU 9 2.401 3.878 -8.487
59 2HD1 LEU 9 HD12 LEU 9 4.159 3.716 -8.340
60 3HD1 LEU 9 HD13 LEU 9 3.152 2.279 -8.497
61 1HD2 LEU 9 HD21 LEU 9 2.554 5.278 -6.289
62 2HD2 LEU 9 HD22 LEU 9 3.354 4.524 -4.891
63 3HD2 LEU 9 HD23 LEU 9 4.297 4.938 -6.330
64 H THR 10 H THR 10 3.079 0.066 -7.982
65 HA THR 10 HA THR 10 4.279 -1.158 -5.538
66 HB THR 10 HB THR 10 2.970 -2.883 -6.634
67 HG1 THR 10 HG1 THR 10 4.723 -4.314 -6.931
68 1HG2 THR 10 HG21 THR 10 4.788 -2.563 -9.053
69 2HG2 THR 10 HG22 THR 10 3.519 -3.780 -8.816
70 3HG2 THR 10 HG23 THR 10 3.070 -2.086 -8.998
71 H CYS 11 H CYS 11 6.382 -1.403 -5.501
72 HA CYS 11 HA CYS 11 8.098 -0.319 -7.662
73 1HB CYS 11 HB1 CYS 11 8.342 0.175 -4.686
74 2HB CYS 11 HB2 CYS 11 9.585 0.584 -5.858
75 1HN NH2 12 HN1 NH2 12 7.206 -3.143 -6.826
76 2HN NH2 12 HN2 NH2 12 8.737 -3.955 -6.509
Start of MODEL 18
1 1H ACE 1 HA1 ACE 1 11.081 0.817 -11.789
2 2H ACE 1 HA2 ACE 1 10.556 2.486 -12.102
3 3H ACE 1 HA3 ACE 1 11.580 2.121 -10.690
4 H CYS 2 H CYS 2 8.611 3.084 -11.260
5 HA CYS 2 HA CYS 2 7.299 1.339 -9.228
6 1HB CYS 2 HB1 CYS 2 7.253 4.316 -9.667
7 2HB CYS 2 HB2 CYS 2 5.994 3.492 -8.761
8 H THR 3 H THR 3 5.379 0.542 -9.673
9 HA THR 3 HA THR 3 4.026 1.145 -12.264
10 HB THR 3 HB THR 3 4.333 -1.559 -10.899
11 HG1 THR 3 HG1 THR 3 5.626 -2.019 -12.651
12 1HG2 THR 3 HG21 THR 3 3.437 -2.422 -13.086
13 2HG2 THR 3 HG22 THR 3 2.243 -1.493 -12.176
14 3HG2 THR 3 HG23 THR 3 3.079 -0.750 -13.560
15 H TRP 4 H TRP 4 2.008 1.735 -12.105
16 HA TRP 4 HA TRP 4 0.398 1.422 -9.659
17 1HB TRP 4 HB1 TRP 4 0.031 2.859 -12.314
18 2HB TRP 4 HB2 TRP 4 -1.309 2.597 -11.209
19 HD1 TRP 4 HD1 TRP 4 1.408 5.011 -11.833
20 HE1 TRP 4 HE1 TRP 4 1.552 6.724 -9.916
21 HE3 TRP 4 HE3 TRP 4 -1.586 2.662 -8.420
22 HZ2 TRP 4 HZ2 TRP 4 0.429 7.067 -7.277
23 HZ3 TRP 4 HZ3 TRP 4 -1.986 3.674 -6.189
24 HH2 TRP 4 HH2 TRP 4 -1.015 5.880 -5.622
25 H GLU 5 H GLU 5 -1.116 -0.057 -9.400
26 HA GLU 5 HA GLU 5 -2.097 -1.698 -11.719
27 1HB GLU 5 HB1 GLU 5 -1.727 -2.573 -8.832
28 2HB GLU 5 HB2 GLU 5 -2.327 -3.549 -10.182
29 1HG GLU 5 HG1 GLU 5 -0.087 -3.190 -11.322
30 2HG GLU 5 HG2 GLU 5 0.491 -2.453 -9.819
31 H GLY 6 H GLY 6 -3.590 0.197 -11.840
32 1HA GLY 6 HA1 GLY 6 -5.799 0.829 -11.886
33 2HA GLY 6 HA2 GLY 6 -6.188 -0.599 -10.932
34 H ASN 7 H ASN 7 -4.951 -0.114 -8.603
35 HA ASN 7 HA ASN 7 -5.566 2.627 -7.596
36 1HB ASN 7 HB1 ASN 7 -7.551 0.995 -7.314
37 2HB ASN 7 HB2 ASN 7 -6.572 0.149 -6.131
38 1HD2 ASN 7 HD22 ASN 7 -5.470 2.538 -4.727
39 2HD2 ASN 7 HD21 ASN 7 -6.924 3.213 -3.957
40 H LYS 8 H LYS 8 -3.602 -0.230 -7.418
41 HA LYS 8 HA LYS 8 -2.303 0.596 -4.850
42 1HB LYS 8 HB1 LYS 8 -2.501 -1.984 -6.435
43 2HB LYS 8 HB2 LYS 8 -1.231 -1.758 -5.243
44 1HG LYS 8 HG1 LYS 8 -3.167 -3.017 -4.394
45 2HG LYS 8 HG2 LYS 8 -2.748 -1.602 -3.426
46 1HD LYS 8 HD1 LYS 8 -4.655 -0.370 -4.250
47 2HD LYS 8 HD2 LYS 8 -5.007 -1.623 -5.469
48 1HE LYS 8 HE1 LYS 8 -5.434 -3.243 -3.636
49 2HE LYS 8 HE2 LYS 8 -5.132 -1.965 -2.444
50 1HZ LYS 8 HZ1 LYS 8 -7.236 -1.893 -4.495
51 2HZ LYS 8 HZ2 LYS 8 -7.470 -2.287 -2.912
52 3HZ LYS 8 HZ3 LYS 8 -6.982 -0.766 -3.318
53 H LEU 9 H LEU 9 -0.102 0.883 -4.685
54 HA LEU 9 HA LEU 9 1.414 1.317 -7.211
55 1HB LEU 9 HB1 LEU 9 0.892 3.132 -5.264
56 2HB LEU 9 HB2 LEU 9 2.351 2.440 -4.579
57 HG LEU 9 HG LEU 9 2.165 3.539 -7.429
58 1HD1 LEU 9 HD11 LEU 9 1.704 5.295 -5.676
59 2HD1 LEU 9 HD12 LEU 9 3.268 4.933 -4.943
60 3HD1 LEU 9 HD13 LEU 9 3.185 5.585 -6.597
61 1HD2 LEU 9 HD21 LEU 9 4.535 2.946 -5.609
62 2HD2 LEU 9 HD22 LEU 9 4.128 2.100 -7.126
63 3HD2 LEU 9 HD23 LEU 9 4.628 3.794 -7.159
64 H THR 10 H THR 10 3.076 0.040 -7.629
65 HA THR 10 HA THR 10 4.370 -1.559 -5.455
66 HB THR 10 HB THR 10 4.801 -3.330 -7.145
67 HG1 THR 10 HG1 THR 10 3.376 -1.542 -8.757
68 1HG2 THR 10 HG21 THR 10 2.527 -4.280 -7.320
69 2HG2 THR 10 HG22 THR 10 2.905 -3.724 -5.683
70 3HG2 THR 10 HG23 THR 10 1.837 -2.757 -6.730
71 H CYS 11 H CYS 11 6.764 -1.653 -5.663
72 HA CYS 11 HA CYS 11 7.888 -0.223 -7.991
73 1HB CYS 11 HB1 CYS 11 8.515 0.499 -5.121
74 2HB CYS 11 HB2 CYS 11 9.358 1.116 -6.538
75 1HN NH2 12 HN1 NH2 12 10.183 -0.545 -8.302
76 2HN NH2 12 HN2 NH2 12 10.986 -1.937 -7.573
Start of MODEL 19
1 1H ACE 1 HA1 ACE 1 11.783 1.193 -10.822
2 2H ACE 1 HA2 ACE 1 10.687 0.992 -12.204
3 3H ACE 1 HA3 ACE 1 11.035 2.623 -11.569
4 H CYS 2 H CYS 2 8.654 2.746 -11.466
5 HA CYS 2 HA CYS 2 7.390 1.152 -9.326
6 1HB CYS 2 HB1 CYS 2 7.177 4.130 -9.762
7 2HB CYS 2 HB2 CYS 2 6.054 3.232 -8.749
8 H THR 3 H THR 3 5.180 0.730 -9.620
9 HA THR 3 HA THR 3 3.929 1.277 -12.284
10 HB THR 3 HB THR 3 3.055 -1.191 -11.991
11 HG1 THR 3 HG1 THR 3 5.448 -1.210 -10.505
12 1HG2 THR 3 HG21 THR 3 5.874 -0.778 -13.019
13 2HG2 THR 3 HG22 THR 3 4.722 -2.070 -13.448
14 3HG2 THR 3 HG23 THR 3 4.374 -0.398 -13.902
15 H TRP 4 H TRP 4 1.781 1.772 -12.141
16 HA TRP 4 HA TRP 4 0.314 1.351 -9.585
17 1HB TRP 4 HB1 TRP 4 -0.382 2.745 -12.171
18 2HB TRP 4 HB2 TRP 4 -1.583 2.336 -10.950
19 HD1 TRP 4 HD1 TRP 4 1.140 4.804 -11.650
20 HE1 TRP 4 HE1 TRP 4 1.255 6.569 -9.780
21 HE3 TRP 4 HE3 TRP 4 -2.070 2.655 -8.312
22 HZ2 TRP 4 HZ2 TRP 4 0.165 6.940 -7.126
23 HZ3 TRP 4 HZ3 TRP 4 -2.435 3.670 -6.070
24 HH2 TRP 4 HH2 TRP 4 -1.318 5.813 -5.473
25 H GLU 5 H GLU 5 -1.211 -0.201 -9.383
26 HA GLU 5 HA GLU 5 -1.827 -2.057 -11.667
27 1HB GLU 5 HB1 GLU 5 -2.302 -2.483 -8.701
28 2HB GLU 5 HB2 GLU 5 -2.455 -3.676 -9.995
29 1HG GLU 5 HG1 GLU 5 -0.016 -3.600 -10.385
30 2HG GLU 5 HG2 GLU 5 0.164 -2.371 -9.120
31 H GLY 6 H GLY 6 -2.933 0.640 -11.101
32 1HA GLY 6 HA1 GLY 6 -5.074 1.551 -11.643
33 2HA GLY 6 HA2 GLY 6 -5.872 0.108 -10.978
34 H ASN 7 H ASN 7 -5.929 -0.158 -8.651
35 HA ASN 7 HA ASN 7 -5.896 2.427 -7.234
36 1HB ASN 7 HB1 ASN 7 -7.422 1.455 -5.726
37 2HB ASN 7 HB2 ASN 7 -7.896 0.888 -7.321
38 1HD2 ASN 7 HD22 ASN 7 -6.508 -0.057 -4.210
39 2HD2 ASN 7 HD21 ASN 7 -6.700 -1.793 -4.521
40 H LYS 8 H LYS 8 -3.423 0.394 -7.594
41 HA LYS 8 HA LYS 8 -2.316 0.688 -4.834
42 1HB LYS 8 HB1 LYS 8 -3.476 -1.549 -5.148
43 2HB LYS 8 HB2 LYS 8 -2.408 -1.872 -6.503
44 1HG LYS 8 HG1 LYS 8 -1.433 -3.070 -4.773
45 2HG LYS 8 HG2 LYS 8 -0.459 -1.604 -4.800
46 1HD LYS 8 HD1 LYS 8 -2.080 -0.718 -2.956
47 2HD LYS 8 HD2 LYS 8 -2.703 -2.370 -2.887
48 1HE LYS 8 HE1 LYS 8 -1.069 -2.194 -1.169
49 2HE LYS 8 HE2 LYS 8 -0.308 -3.150 -2.453
50 1HZ LYS 8 HZ1 LYS 8 0.042 -0.262 -2.386
51 2HZ LYS 8 HZ2 LYS 8 0.921 -1.204 -1.358
52 3HZ LYS 8 HZ3 LYS 8 1.052 -1.416 -2.990
53 H LEU 9 H LEU 9 0.018 0.767 -4.802
54 HA LEU 9 HA LEU 9 1.336 0.991 -7.458
55 1HB LEU 9 HB1 LEU 9 1.080 3.203 -6.250
56 2HB LEU 9 HB2 LEU 9 2.110 2.558 -4.971
57 HG LEU 9 HG LEU 9 3.947 2.258 -6.681
58 1HD1 LEU 9 HD11 LEU 9 2.086 2.528 -8.646
59 2HD1 LEU 9 HD12 LEU 9 2.586 4.193 -8.533
60 3HD1 LEU 9 HD13 LEU 9 3.793 2.941 -8.868
61 1HD2 LEU 9 HD21 LEU 9 2.842 5.065 -6.276
62 2HD2 LEU 9 HD22 LEU 9 4.106 4.240 -5.329
63 3HD2 LEU 9 HD23 LEU 9 4.426 4.723 -7.000
64 H THR 10 H THR 10 3.013 -0.192 -7.850
65 HA THR 10 HA THR 10 4.402 -1.686 -5.687
66 HB THR 10 HB THR 10 4.948 -3.216 -7.816
67 HG1 THR 10 HG1 THR 10 3.738 -2.152 -9.385
68 1HG2 THR 10 HG21 THR 10 3.063 -4.659 -7.160
69 2HG2 THR 10 HG22 THR 10 3.860 -3.971 -5.733
70 3HG2 THR 10 HG23 THR 10 2.312 -3.300 -6.294
71 H CYS 11 H CYS 11 6.447 -0.968 -5.380
72 HA CYS 11 HA CYS 11 7.951 0.150 -7.702
73 1HB CYS 11 HB1 CYS 11 8.189 0.745 -4.757
74 2HB CYS 11 HB2 CYS 11 9.343 1.282 -5.973
75 1HN NH2 12 HN1 NH2 12 9.965 -0.715 -8.191
76 2HN NH2 12 HN2 NH2 12 10.520 -2.204 -7.420
Start of MODEL 20
1 1H ACE 1 HA1 ACE 1 11.081 0.953 -11.665
2 2H ACE 1 HA2 ACE 1 11.735 0.225 -10.173
3 3H ACE 1 HA3 ACE 1 11.030 -0.811 -11.428
4 H CYS 2 H CYS 2 9.262 2.060 -11.061
5 HA CYS 2 HA CYS 2 7.307 0.794 -9.194
6 1HB CYS 2 HB1 CYS 2 7.991 3.694 -9.652
7 2HB CYS 2 HB2 CYS 2 6.561 3.166 -8.773
8 H THR 3 H THR 3 5.260 0.592 -9.804
9 HA THR 3 HA THR 3 4.185 1.940 -12.236
10 HB THR 3 HB THR 3 4.312 -1.038 -11.670
11 HG1 THR 3 HG1 THR 3 5.168 -0.991 -13.750
12 1HG2 THR 3 HG21 THR 3 2.911 -1.346 -13.733
13 2HG2 THR 3 HG22 THR 3 2.008 -0.762 -12.332
14 3HG2 THR 3 HG23 THR 3 2.456 0.368 -13.638
15 H TRP 4 H TRP 4 2.080 2.556 -12.056
16 HA TRP 4 HA TRP 4 0.549 2.093 -9.536
17 1HB TRP 4 HB1 TRP 4 0.416 4.129 -11.767
18 2HB TRP 4 HB2 TRP 4 -1.041 3.713 -10.899
19 HD1 TRP 4 HD1 TRP 4 1.865 5.952 -10.673
20 HE1 TRP 4 HE1 TRP 4 1.681 7.398 -8.553
21 HE3 TRP 4 HE3 TRP 4 -1.814 3.367 -8.214
22 HZ2 TRP 4 HZ2 TRP 4 0.223 7.379 -6.077
23 HZ3 TRP 4 HZ3 TRP 4 -2.636 4.160 -6.006
24 HH2 TRP 4 HH2 TRP 4 -1.614 6.146 -4.924
25 H GLU 5 H GLU 5 -0.874 0.405 -9.569
26 HA GLU 5 HA GLU 5 -2.290 -0.187 -12.087
27 1HB GLU 5 HB1 GLU 5 -1.793 -2.599 -11.981
28 2HB GLU 5 HB2 GLU 5 -0.407 -1.594 -12.389
29 1HG GLU 5 HG1 GLU 5 0.494 -1.799 -10.116
30 2HG GLU 5 HG2 GLU 5 -0.927 -2.722 -9.606
31 H GLY 6 H GLY 6 -4.213 -1.157 -11.914
32 1HA GLY 6 HA1 GLY 6 -6.266 -1.595 -11.026
33 2HA GLY 6 HA2 GLY 6 -5.452 -2.244 -9.597
34 H ASN 7 H ASN 7 -4.723 -0.715 -8.042
35 HA ASN 7 HA ASN 7 -6.067 1.916 -7.789
36 1HB ASN 7 HB1 ASN 7 -7.560 -0.133 -6.977
37 2HB ASN 7 HB2 ASN 7 -6.505 -0.124 -5.572
38 1HD2 ASN 7 HD22 ASN 7 -6.236 2.691 -5.134
39 2HD2 ASN 7 HD21 ASN 7 -7.880 3.234 -4.695
40 H LYS 8 H LYS 8 -3.246 0.125 -7.408
41 HA LYS 8 HA LYS 8 -2.183 1.733 -5.091
42 1HB LYS 8 HB1 LYS 8 -1.405 -0.066 -3.961
43 2HB LYS 8 HB2 LYS 8 -3.046 -0.533 -4.352
44 1HG LYS 8 HG1 LYS 8 -0.697 -1.457 -6.057
45 2HG LYS 8 HG2 LYS 8 -1.081 -2.246 -4.538
46 1HD LYS 8 HD1 LYS 8 -3.199 -3.008 -5.290
47 2HD LYS 8 HD2 LYS 8 -3.188 -1.932 -6.696
48 1HE LYS 8 HE1 LYS 8 -1.055 -3.154 -7.441
49 2HE LYS 8 HE2 LYS 8 -1.425 -4.356 -6.190
50 1HZ LYS 8 HZ1 LYS 8 -3.533 -4.712 -7.284
51 2HZ LYS 8 HZ2 LYS 8 -3.150 -3.603 -8.446
52 3HZ LYS 8 HZ3 LYS 8 -2.275 -4.995 -8.315
53 H LEU 9 H LEU 9 0.111 1.392 -4.821
54 HA LEU 9 HA LEU 9 1.564 1.703 -7.392
55 1HB LEU 9 HB1 LEU 9 1.385 3.653 -5.852
56 2HB LEU 9 HB2 LEU 9 2.063 2.677 -4.550
57 HG LEU 9 HG LEU 9 4.187 2.457 -5.943
58 1HD1 LEU 9 HD11 LEU 9 3.157 3.160 -8.160
59 2HD1 LEU 9 HD12 LEU 9 2.989 4.796 -7.492
60 3HD1 LEU 9 HD13 LEU 9 4.599 4.081 -7.696
61 1HD2 LEU 9 HD21 LEU 9 3.247 5.232 -5.084
62 2HD2 LEU 9 HD22 LEU 9 3.980 3.999 -4.037
63 3HD2 LEU 9 HD23 LEU 9 4.942 4.748 -5.323
64 H THR 10 H THR 10 2.894 0.108 -7.926
65 HA THR 10 HA THR 10 3.954 -1.790 -5.851
66 HB THR 10 HB THR 10 3.207 -2.247 -8.757
67 HG1 THR 10 HG1 THR 10 1.627 -2.363 -7.061
68 1HG2 THR 10 HG21 THR 10 3.903 -4.628 -8.332
69 2HG2 THR 10 HG22 THR 10 5.257 -3.497 -8.445
70 3HG2 THR 10 HG23 THR 10 4.718 -4.086 -6.851
71 H CYS 11 H CYS 11 6.041 -1.521 -5.525
72 HA CYS 11 HA CYS 11 7.783 -0.546 -7.732
73 1HB CYS 11 HB1 CYS 11 8.060 0.039 -4.787
74 2HB CYS 11 HB2 CYS 11 9.236 0.445 -6.030
75 1HN NH2 12 HN1 NH2 12 8.807 -2.298 -8.517
76 2HN NH2 12 HN2 NH2 12 9.487 -3.589 -7.522