NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574933 |
2m61   |
19102 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 1.807 0.001 0.856
2 HA CYS 1 HA CYS 1 3.043 -0.477 -1.046
3 HB2 CYS 1 HB2 CYS 1 2.021 -0.962 -3.153
4 HB3 CYS 1 HB3 CYS 1 1.043 -1.741 -1.913
5 H CYS 2 H CYS 2 4.056 0.854 -2.596
6 HA CYS 2 HA CYS 2 3.099 3.641 -2.578
7 HB2 CYS 2 HB2 CYS 2 5.961 2.886 -3.078
8 HB3 CYS 2 HB3 CYS 2 5.304 4.409 -2.486
9 H ARG 3 H ARG 3 3.294 4.873 -4.477
10 HA ARG 3 HA ARG 3 3.208 3.267 -6.911
11 HB2 ARG 3 HB2 ARG 3 2.643 6.219 -6.655
12 HB3 ARG 3 HB3 ARG 3 2.148 5.135 -7.948
13 HG2 ARG 3 HG2 ARG 3 1.161 5.057 -5.104
14 HG3 ARG 3 HG3 ARG 3 0.281 5.695 -6.495
15 HD2 ARG 3 HD2 ARG 3 0.256 3.497 -7.520
16 HD3 ARG 3 HD3 ARG 3 1.219 2.844 -6.196
17 HE ARG 3 HE ARG 3 -0.685 2.694 -4.939
18 HH11 ARG 3 HH11 ARG 3 -1.270 4.818 -7.635
19 HH12 ARG 3 HH12 ARG 3 -2.969 4.960 -7.322
20 HH21 ARG 3 HH21 ARG 3 -2.919 2.873 -4.517
21 HH22 ARG 3 HH22 ARG 3 -3.905 3.854 -5.548
22 H LEU 4 H LEU 4 4.602 6.436 -6.035
23 HA LEU 4 HA LEU 4 6.658 6.068 -8.070
24 HB2 LEU 4 HB2 LEU 4 5.596 8.362 -6.509
25 HB3 LEU 4 HB3 LEU 4 7.261 8.454 -7.080
26 HG LEU 4 HG LEU 4 5.732 9.591 -8.600
27 HD11 LEU 4 HD11 LEU 4 6.450 7.193 -10.170
28 HD12 LEU 4 HD12 LEU 4 7.756 7.991 -9.295
29 HD13 LEU 4 HD13 LEU 4 6.799 8.896 -10.468
30 HD21 LEU 4 HD21 LEU 4 4.076 8.321 -9.878
31 HD22 LEU 4 HD22 LEU 4 3.719 8.294 -8.151
32 HD23 LEU 4 HD23 LEU 4 4.442 6.883 -8.924
33 H ALA 5 H ALA 5 6.329 6.405 -4.578
34 HA ALA 5 HA ALA 5 9.164 6.369 -4.099
35 HB1 ALA 5 HB1 ALA 5 7.740 5.675 -1.748
36 HB2 ALA 5 HB2 ALA 5 8.511 7.209 -2.154
37 HB3 ALA 5 HB3 ALA 5 6.825 6.928 -2.588
38 H CYS 6 H CYS 6 7.172 4.040 -5.180
39 HA CYS 6 HA CYS 6 7.580 1.813 -3.562
40 HB2 CYS 6 HB2 CYS 6 6.684 0.585 -5.277
41 HB3 CYS 6 HB3 CYS 6 6.191 2.193 -5.796
42 H GLY 7 H GLY 7 9.787 3.511 -5.584
43 HA2 GLY 7 HA2 GLY 7 11.648 1.336 -5.904
44 HA3 GLY 7 HA3 GLY 7 11.929 3.021 -6.317
45 H LEU 8 H LEU 8 10.923 3.483 -3.379
46 HA LEU 8 HA LEU 8 13.609 3.433 -2.259
47 HB2 LEU 8 HB2 LEU 8 11.045 4.791 -1.543
48 HB3 LEU 8 HB3 LEU 8 12.330 4.647 -0.345
49 HG LEU 8 HG LEU 8 13.410 5.695 -2.784
50 HD11 LEU 8 HD11 LEU 8 12.154 7.580 -3.216
51 HD12 LEU 8 HD12 LEU 8 11.331 7.520 -1.658
52 HD13 LEU 8 HD13 LEU 8 10.904 6.370 -2.925
53 HD21 LEU 8 HD21 LEU 8 13.831 7.650 -1.182
54 HD22 LEU 8 HD22 LEU 8 14.554 6.091 -0.786
55 HD23 LEU 8 HD23 LEU 8 13.096 6.625 0.051
56 H GLY 9 H GLY 9 13.088 0.921 -2.366
57 HA2 GLY 9 HA2 GLY 9 12.956 -0.998 -1.112
58 HA3 GLY 9 HA3 GLY 9 13.018 0.031 0.311
59 H CYS 10 H CYS 10 10.522 0.328 -2.119
60 HA CYS 10 HA CYS 10 8.609 -0.953 -0.286
61 HB2 CYS 10 HB2 CYS 10 8.331 1.419 0.023
62 HB3 CYS 10 HB3 CYS 10 8.293 1.690 -1.716
63 H HIS 11 H HIS 11 8.654 -2.812 -1.602
64 HA HIS 11 HA HIS 11 7.074 -2.529 -4.056
65 HB2 HIS 11 HB2 HIS 11 8.668 -4.574 -4.792
66 HB3 HIS 11 HB3 HIS 11 9.007 -2.894 -5.196
67 HD1 HIS 11 HD1 HIS 11 11.122 -1.893 -4.279
68 HD2 HIS 11 HD2 HIS 11 10.217 -5.571 -2.572
69 HE1 HIS 11 HE1 HIS 11 13.139 -2.514 -2.911
70 HA HYP 12 HA HYP 12 6.938 -4.389 -5.738
71 HB2 HYP 12 HB2 HYP 12 4.478 -5.133 -6.612
72 HB3 HYP 12 HB3 HYP 12 5.805 -6.280 -6.387
73 HG HYP 12 HG HYP 12 3.497 -5.675 -4.579
74 HD22 HYP 12 HD2 HYP 12 4.748 -6.001 -2.672
75 HD23 HYP 12 HD3 HYP 12 5.929 -7.030 -3.507
76 HD1 HYP 12 HOD HYP 12 4.982 -7.714 -4.711
77 H CYS 13 H CYS 13 5.752 -2.924 -7.218
78 HA CYS 13 HA CYS 13 4.619 -0.709 -5.710
79 HB2 CYS 13 HB2 CYS 13 5.018 -0.636 -8.675
80 HB3 CYS 13 HB3 CYS 13 5.192 0.658 -7.493
81 H CYS 14 H CYS 14 2.588 0.344 -6.238
82 HA CYS 14 HA CYS 14 0.618 -1.501 -7.206
83 HB2 CYS 14 HB3 CYS 14 0.625 0.833 -5.586
84 HB3 CYS 14 HB2 CYS 14 -0.741 0.526 -6.426
85 HN1 NH2 15 1HN NH2 15 -0.219 -0.102 -10.245
86 HN2 NH2 15 2HN NH2 15 -0.367 -1.415 -9.124
Start of MODEL 2
1 H1 CYS 1 H CYS 1 0.313 -0.228 -0.173
2 HA CYS 1 HA CYS 1 3.037 -0.717 -1.132
3 HB2 CYS 1 HB2 CYS 1 2.070 -1.238 -3.256
4 HB3 CYS 1 HB3 CYS 1 1.098 -2.050 -2.032
5 H CYS 2 H CYS 2 4.030 0.649 -2.665
6 HA CYS 2 HA CYS 2 2.975 3.401 -2.665
7 HB2 CYS 2 HB2 CYS 2 5.870 2.747 -3.115
8 HB3 CYS 2 HB3 CYS 2 5.150 4.245 -2.536
9 H ARG 3 H ARG 3 3.160 4.638 -4.562
10 HA ARG 3 HA ARG 3 3.173 3.030 -6.996
11 HB2 ARG 3 HB2 ARG 3 2.080 5.687 -6.214
12 HB3 ARG 3 HB3 ARG 3 2.492 5.440 -7.906
13 HG2 ARG 3 HG2 ARG 3 0.232 4.887 -7.759
14 HG3 ARG 3 HG3 ARG 3 1.066 3.332 -7.771
15 HD2 ARG 3 HD2 ARG 3 -0.677 3.322 -6.092
16 HD3 ARG 3 HD3 ARG 3 0.905 3.252 -5.317
17 HE ARG 3 HE ARG 3 0.451 5.253 -4.316
18 HH11 ARG 3 HH11 ARG 3 -1.706 4.834 -7.016
19 HH12 ARG 3 HH12 ARG 3 -2.645 6.244 -6.653
20 HH21 ARG 3 HH21 ARG 3 -0.778 7.112 -3.827
21 HH22 ARG 3 HH22 ARG 3 -2.115 7.539 -4.839
22 H LEU 4 H LEU 4 4.440 6.246 -6.098
23 HA LEU 4 HA LEU 4 6.542 5.950 -8.096
24 HB2 LEU 4 HB2 LEU 4 5.435 8.218 -6.505
25 HB3 LEU 4 HB3 LEU 4 7.060 8.350 -7.176
26 HG LEU 4 HG LEU 4 5.397 9.429 -8.604
27 HD11 LEU 4 HD11 LEU 4 7.358 7.607 -9.382
28 HD12 LEU 4 HD12 LEU 4 6.631 8.878 -10.364
29 HD13 LEU 4 HD13 LEU 4 5.961 7.247 -10.397
30 HD21 LEU 4 HD21 LEU 4 3.501 7.955 -7.983
31 HD22 LEU 4 HD22 LEU 4 4.216 6.678 -8.968
32 HD23 LEU 4 HD23 LEU 4 3.676 8.178 -9.724
33 H ALA 5 H ALA 5 6.140 6.276 -4.611
34 HA ALA 5 HA ALA 5 8.966 6.339 -4.083
35 HB1 ALA 5 HB1 ALA 5 7.527 5.596 -1.756
36 HB2 ALA 5 HB2 ALA 5 8.251 7.156 -2.150
37 HB3 ALA 5 HB3 ALA 5 6.583 6.816 -2.612
38 H CYS 6 H CYS 6 7.077 3.942 -5.196
39 HA CYS 6 HA CYS 6 7.534 1.731 -3.569
40 HB2 CYS 6 HB2 CYS 6 6.712 0.472 -5.299
41 HB3 CYS 6 HB3 CYS 6 6.171 2.061 -5.828
42 H GLY 7 H GLY 7 9.715 3.506 -5.555
43 HA2 GLY 7 HA2 GLY 7 11.656 1.397 -5.840
44 HA3 GLY 7 HA3 GLY 7 11.885 3.091 -6.249
45 H LEU 8 H LEU 8 10.813 3.517 -3.330
46 HA LEU 8 HA LEU 8 13.479 3.562 -2.164
47 HB2 LEU 8 HB2 LEU 8 10.843 4.750 -1.338
48 HB3 LEU 8 HB3 LEU 8 12.275 4.808 -0.312
49 HG LEU 8 HG LEU 8 12.587 5.850 -3.062
50 HD11 LEU 8 HD11 LEU 8 10.676 6.976 -1.084
51 HD12 LEU 8 HD12 LEU 8 10.608 6.966 -2.845
52 HD13 LEU 8 HD13 LEU 8 11.680 8.090 -2.012
53 HD21 LEU 8 HD21 LEU 8 14.183 7.189 -2.100
54 HD22 LEU 8 HD22 LEU 8 14.237 5.792 -1.025
55 HD23 LEU 8 HD23 LEU 8 13.358 7.243 -0.543
56 H GLY 9 H GLY 9 13.049 1.033 -2.277
57 HA2 GLY 9 HA2 GLY 9 12.962 -0.890 -1.025
58 HA3 GLY 9 HA3 GLY 9 12.962 0.141 0.399
59 H CYS 10 H CYS 10 10.500 0.350 -2.074
60 HA CYS 10 HA CYS 10 8.602 -0.997 -0.274
61 HB2 CYS 10 HB2 CYS 10 8.236 1.364 0.028
62 HB3 CYS 10 HB3 CYS 10 8.219 1.633 -1.712
63 H HIS 11 H HIS 11 8.735 -2.853 -1.588
64 HA HIS 11 HA HIS 11 7.189 -2.626 -4.070
65 HB2 HIS 11 HB2 HIS 11 8.867 -4.614 -4.776
66 HB3 HIS 11 HB3 HIS 11 9.153 -2.923 -5.176
67 HD1 HIS 11 HD1 HIS 11 11.216 -1.849 -4.223
68 HD2 HIS 11 HD2 HIS 11 10.410 -5.555 -2.528
69 HE1 HIS 11 HE1 HIS 11 13.229 -2.398 -2.819
70 HA HYP 12 HA HYP 12 7.148 -4.490 -5.752
71 HB2 HYP 12 HB2 HYP 12 4.731 -5.320 -6.669
72 HB3 HYP 12 HB3 HYP 12 6.093 -6.419 -6.420
73 HG HYP 12 HG HYP 12 3.734 -5.896 -4.653
74 HD22 HYP 12 HD2 HYP 12 4.962 -6.177 -2.724
75 HD23 HYP 12 HD3 HYP 12 6.193 -7.164 -3.537
76 HD1 HYP 12 HOD HYP 12 5.292 -7.881 -4.757
77 H CYS 13 H CYS 13 5.937 -3.067 -7.254
78 HA CYS 13 HA CYS 13 4.701 -0.893 -5.768
79 HB2 CYS 13 HB2 CYS 13 5.149 -0.807 -8.725
80 HB3 CYS 13 HB3 CYS 13 5.257 0.492 -7.542
81 H CYS 14 H CYS 14 2.644 0.087 -6.332
82 HA CYS 14 HA CYS 14 0.757 -1.825 -7.332
83 HB2 CYS 14 HB3 CYS 14 0.654 0.507 -5.713
84 HB3 CYS 14 HB2 CYS 14 -0.686 0.152 -6.577
85 HN1 NH2 15 1HN NH2 15 -0.076 -0.456 -10.386
86 HN2 NH2 15 2HN NH2 15 -0.197 -1.774 -9.268
Start of MODEL 3
1 H1 CYS 1 H CYS 1 1.132 0.293 0.602
2 HA CYS 1 HA CYS 1 3.271 -0.892 -0.840
3 HB2 CYS 1 HB2 CYS 1 2.212 -1.398 -2.923
4 HB3 CYS 1 HB3 CYS 1 1.313 -2.244 -1.668
5 H CYS 2 H CYS 2 4.167 0.512 -2.397
6 HA CYS 2 HA CYS 2 3.071 3.245 -2.307
7 HB2 CYS 2 HB2 CYS 2 5.951 2.646 -2.903
8 HB3 CYS 2 HB3 CYS 2 5.236 4.124 -2.267
9 H ARG 3 H ARG 3 3.145 4.513 -4.191
10 HA ARG 3 HA ARG 3 3.068 2.940 -6.646
11 HB2 ARG 3 HB2 ARG 3 1.991 5.587 -5.790
12 HB3 ARG 3 HB3 ARG 3 2.292 5.327 -7.503
13 HG2 ARG 3 HG2 ARG 3 0.923 3.130 -7.091
14 HG3 ARG 3 HG3 ARG 3 0.306 4.034 -5.707
15 HD2 ARG 3 HD2 ARG 3 0.336 5.179 -8.484
16 HD3 ARG 3 HD3 ARG 3 -1.002 4.195 -7.891
17 HE ARG 3 HE ARG 3 -0.426 6.291 -6.078
18 HH11 ARG 3 HH11 ARG 3 -1.897 5.658 -9.169
19 HH12 ARG 3 HH12 ARG 3 -2.981 7.006 -9.075
20 HH21 ARG 3 HH21 ARG 3 -1.849 8.069 -5.943
21 HH22 ARG 3 HH22 ARG 3 -2.952 8.377 -7.240
22 H LEU 4 H LEU 4 4.325 6.163 -5.762
23 HA LEU 4 HA LEU 4 6.333 5.932 -7.861
24 HB2 LEU 4 HB2 LEU 4 5.257 8.156 -6.194
25 HB3 LEU 4 HB3 LEU 4 6.855 8.326 -6.917
26 HG LEU 4 HG LEU 4 5.150 9.402 -8.280
27 HD11 LEU 4 HD11 LEU 4 7.075 7.595 -9.150
28 HD12 LEU 4 HD12 LEU 4 6.289 8.852 -10.104
29 HD13 LEU 4 HD13 LEU 4 5.637 7.214 -10.097
30 HD21 LEU 4 HD21 LEU 4 3.276 7.929 -7.587
31 HD22 LEU 4 HD22 LEU 4 3.942 6.660 -8.616
32 HD23 LEU 4 HD23 LEU 4 3.375 8.170 -9.331
33 H ALA 5 H ALA 5 6.094 6.200 -4.356
34 HA ALA 5 HA ALA 5 8.940 6.303 -3.962
35 HB1 ALA 5 HB1 ALA 5 7.625 5.503 -1.582
36 HB2 ALA 5 HB2 ALA 5 8.305 7.079 -1.985
37 HB3 ALA 5 HB3 ALA 5 6.623 6.719 -2.373
38 H CYS 6 H CYS 6 7.038 3.891 -5.021
39 HA CYS 6 HA CYS 6 7.607 1.665 -3.451
40 HB2 CYS 6 HB2 CYS 6 6.724 0.417 -5.159
41 HB3 CYS 6 HB3 CYS 6 6.133 2.005 -5.638
42 H GLY 7 H GLY 7 9.662 3.503 -5.511
43 HA2 GLY 7 HA2 GLY 7 11.621 1.431 -5.920
44 HA3 GLY 7 HA3 GLY 7 11.803 3.134 -6.314
45 H LEU 8 H LEU 8 10.865 3.501 -3.341
46 HA LEU 8 HA LEU 8 13.583 3.573 -2.302
47 HB2 LEU 8 HB2 LEU 8 10.994 4.634 -1.181
48 HB3 LEU 8 HB3 LEU 8 12.580 4.857 -0.445
49 HG LEU 8 HG LEU 8 11.846 5.891 -3.180
50 HD11 LEU 8 HD11 LEU 8 10.520 6.825 -1.186
51 HD12 LEU 8 HD12 LEU 8 11.320 7.964 -2.269
52 HD13 LEU 8 HD13 LEU 8 12.045 7.573 -0.710
53 HD21 LEU 8 HD21 LEU 8 14.300 5.630 -1.781
54 HD22 LEU 8 HD22 LEU 8 13.899 7.346 -1.864
55 HD23 LEU 8 HD23 LEU 8 14.000 6.391 -3.344
56 H GLY 9 H GLY 9 13.187 1.039 -2.433
57 HA2 GLY 9 HA2 GLY 9 13.191 -0.903 -1.207
58 HA3 GLY 9 HA3 GLY 9 13.243 0.107 0.230
59 H CYS 10 H CYS 10 10.663 0.311 -2.120
60 HA CYS 10 HA CYS 10 8.874 -1.093 -0.252
61 HB2 CYS 10 HB2 CYS 10 8.485 1.258 0.103
62 HB3 CYS 10 HB3 CYS 10 8.381 1.551 -1.630
63 H HIS 11 H HIS 11 8.974 -2.927 -1.599
64 HA HIS 11 HA HIS 11 7.308 -2.690 -4.000
65 HB2 HIS 11 HB2 HIS 11 8.981 -4.640 -4.815
66 HB3 HIS 11 HB3 HIS 11 9.221 -2.939 -5.203
67 HD1 HIS 11 HD1 HIS 11 11.309 -1.844 -4.332
68 HD2 HIS 11 HD2 HIS 11 10.645 -5.588 -2.659
69 HE1 HIS 11 HE1 HIS 11 13.395 -2.380 -3.034
70 HA HYP 12 HA HYP 12 7.216 -4.530 -5.707
71 HB2 HYP 12 HB2 HYP 12 4.771 -5.387 -6.520
72 HB3 HYP 12 HB3 HYP 12 6.161 -6.466 -6.353
73 HG HYP 12 HG HYP 12 3.880 -6.007 -4.468
74 HD22 HYP 12 HD2 HYP 12 5.203 -6.296 -2.604
75 HD23 HYP 12 HD3 HYP 12 6.410 -7.251 -3.490
76 HD1 HYP 12 HOD HYP 12 5.463 -7.965 -4.677
77 H CYS 13 H CYS 13 5.913 -3.106 -7.128
78 HA CYS 13 HA CYS 13 4.714 -0.974 -5.552
79 HB2 CYS 13 HB2 CYS 13 5.019 -0.838 -8.526
80 HB3 CYS 13 HB3 CYS 13 5.163 0.445 -7.329
81 H CYS 14 H CYS 14 2.617 -0.020 -6.003
82 HA CYS 14 HA CYS 14 0.715 -1.948 -6.942
83 HB2 CYS 14 HB3 CYS 14 0.653 0.358 -5.284
84 HB3 CYS 14 HB2 CYS 14 -0.721 -0.006 -6.089
85 HN1 NH2 15 1HN NH2 15 -0.284 -0.549 -9.931
86 HN2 NH2 15 2HN NH2 15 -0.330 -1.885 -8.829
Start of MODEL 4
1 H1 CYS 1 H CYS 1 0.873 -0.810 0.458
2 HA CYS 1 HA CYS 1 3.216 -0.567 -0.815
3 HB2 CYS 1 HB2 CYS 1 2.124 -1.042 -2.889
4 HB3 CYS 1 HB3 CYS 1 1.194 -1.835 -1.621
5 H CYS 2 H CYS 2 4.167 0.782 -2.389
6 HA CYS 2 HA CYS 2 3.196 3.563 -2.315
7 HB2 CYS 2 HB2 CYS 2 6.043 2.829 -2.922
8 HB3 CYS 2 HB3 CYS 2 5.399 4.343 -2.295
9 H ARG 3 H ARG 3 3.317 4.811 -4.210
10 HA ARG 3 HA ARG 3 3.155 3.224 -6.652
11 HB2 ARG 3 HB2 ARG 3 2.293 5.998 -5.892
12 HB3 ARG 3 HB3 ARG 3 2.411 5.532 -7.583
13 HG2 ARG 3 HG2 ARG 3 0.969 3.504 -6.231
14 HG3 ARG 3 HG3 ARG 3 0.296 5.064 -5.754
15 HD2 ARG 3 HD2 ARG 3 -0.031 5.678 -8.064
16 HD3 ARG 3 HD3 ARG 3 0.775 4.205 -8.604
17 HE ARG 3 HE ARG 3 -1.167 3.046 -8.235
18 HH11 ARG 3 HH11 ARG 3 -1.368 6.151 -6.674
19 HH12 ARG 3 HH12 ARG 3 -3.046 5.988 -6.276
20 HH21 ARG 3 HH21 ARG 3 -3.377 2.819 -7.716
21 HH22 ARG 3 HH22 ARG 3 -4.188 4.092 -6.868
22 H LEU 4 H LEU 4 4.561 6.394 -5.800
23 HA LEU 4 HA LEU 4 6.546 6.054 -7.909
24 HB2 LEU 4 HB2 LEU 4 5.550 8.333 -6.276
25 HB3 LEU 4 HB3 LEU 4 7.175 8.433 -6.950
26 HG LEU 4 HG LEU 4 5.423 9.556 -8.315
27 HD11 LEU 4 HD11 LEU 4 7.451 7.714 -9.164
28 HD12 LEU 4 HD12 LEU 4 6.945 9.236 -9.895
29 HD13 LEU 4 HD13 LEU 4 6.125 7.736 -10.327
30 HD21 LEU 4 HD21 LEU 4 3.858 8.228 -9.583
31 HD22 LEU 4 HD22 LEU 4 3.622 7.926 -7.861
32 HD23 LEU 4 HD23 LEU 4 4.475 6.744 -8.855
33 H ALA 5 H ALA 5 6.338 6.361 -4.405
34 HA ALA 5 HA ALA 5 9.188 6.338 -4.027
35 HB1 ALA 5 HB1 ALA 5 7.852 5.617 -1.633
36 HB2 ALA 5 HB2 ALA 5 8.600 7.158 -2.053
37 HB3 ALA 5 HB3 ALA 5 6.902 6.871 -2.429
38 H CYS 6 H CYS 6 7.173 4.006 -5.056
39 HA CYS 6 HA CYS 6 7.650 1.769 -3.471
40 HB2 CYS 6 HB2 CYS 6 6.701 0.549 -5.163
41 HB3 CYS 6 HB3 CYS 6 6.180 2.158 -5.652
42 H GLY 7 H GLY 7 9.774 3.496 -5.556
43 HA2 GLY 7 HA2 GLY 7 11.635 1.334 -5.959
44 HA3 GLY 7 HA3 GLY 7 11.892 3.023 -6.367
45 H LEU 8 H LEU 8 10.988 3.456 -3.392
46 HA LEU 8 HA LEU 8 13.712 3.413 -2.368
47 HB2 LEU 8 HB2 LEU 8 11.165 4.742 -1.535
48 HB3 LEU 8 HB3 LEU 8 12.510 4.612 -0.404
49 HG LEU 8 HG LEU 8 13.839 5.717 -2.405
50 HD11 LEU 8 HD11 LEU 8 11.469 5.626 -3.634
51 HD12 LEU 8 HD12 LEU 8 12.660 6.891 -3.937
52 HD13 LEU 8 HD13 LEU 8 11.315 7.192 -2.837
53 HD21 LEU 8 HD21 LEU 8 11.999 7.258 -0.579
54 HD22 LEU 8 HD22 LEU 8 13.439 7.889 -1.379
55 HD23 LEU 8 HD23 LEU 8 13.591 6.633 -0.149
56 H GLY 9 H GLY 9 13.202 0.899 -2.477
57 HA2 GLY 9 HA2 GLY 9 13.124 -1.031 -1.235
58 HA3 GLY 9 HA3 GLY 9 13.230 -0.012 0.194
59 H CYS 10 H CYS 10 10.648 0.289 -2.144
60 HA CYS 10 HA CYS 10 8.808 -1.017 -0.255
61 HB2 CYS 10 HB2 CYS 10 8.528 1.351 0.082
62 HB3 CYS 10 HB3 CYS 10 8.428 1.635 -1.653
63 H HIS 11 H HIS 11 8.817 -2.865 -1.588
64 HA HIS 11 HA HIS 11 7.150 -2.572 -3.982
65 HB2 HIS 11 HB2 HIS 11 8.729 -4.602 -4.790
66 HB3 HIS 11 HB3 HIS 11 9.044 -2.917 -5.193
67 HD1 HIS 11 HD1 HIS 11 11.184 -1.911 -4.342
68 HD2 HIS 11 HD2 HIS 11 10.361 -5.608 -2.634
69 HE1 HIS 11 HE1 HIS 11 13.251 -2.530 -3.051
70 HA HYP 12 HA HYP 12 6.966 -4.420 -5.673
71 HB2 HYP 12 HB2 HYP 12 4.481 -5.171 -6.466
72 HB3 HYP 12 HB3 HYP 12 5.821 -6.311 -6.297
73 HG HYP 12 HG HYP 12 3.574 -5.735 -4.405
74 HD22 HYP 12 HD2 HYP 12 4.894 -6.068 -2.545
75 HD23 HYP 12 HD3 HYP 12 6.050 -7.084 -3.429
76 HD1 HYP 12 HOD HYP 12 5.065 -7.764 -4.605
77 H CYS 13 H CYS 13 5.720 -2.949 -7.099
78 HA CYS 13 HA CYS 13 4.628 -0.753 -5.534
79 HB2 CYS 13 HB2 CYS 13 4.922 -0.654 -8.510
80 HB3 CYS 13 HB3 CYS 13 5.131 0.631 -7.325
81 H CYS 14 H CYS 14 2.574 0.291 -5.981
82 HA CYS 14 HA CYS 14 0.581 -1.557 -6.893
83 HB2 CYS 14 HB3 CYS 14 0.632 0.765 -5.256
84 HB3 CYS 14 HB2 CYS 14 -0.761 0.456 -6.050
85 HN1 NH2 15 1HN NH2 15 -0.370 -0.140 -9.890
86 HN2 NH2 15 2HN NH2 15 -0.471 -1.463 -8.775
Start of MODEL 5
1 H1 CYS 1 H CYS 1 1.519 -1.179 0.908
2 HA CYS 1 HA CYS 1 3.313 -0.722 -0.692
3 HB2 CYS 1 HB2 CYS 1 2.173 -1.197 -2.739
4 HB3 CYS 1 HB3 CYS 1 1.297 -2.025 -1.456
5 H CYS 2 H CYS 2 4.190 0.665 -2.275
6 HA CYS 2 HA CYS 2 3.163 3.424 -2.141
7 HB2 CYS 2 HB2 CYS 2 6.006 2.758 -2.835
8 HB3 CYS 2 HB3 CYS 2 5.348 4.251 -2.173
9 H ARG 3 H ARG 3 3.204 4.695 -4.024
10 HA ARG 3 HA ARG 3 3.007 3.132 -6.479
11 HB2 ARG 3 HB2 ARG 3 2.233 5.979 -5.825
12 HB3 ARG 3 HB3 ARG 3 2.056 5.256 -7.418
13 HG2 ARG 3 HG2 ARG 3 0.850 3.592 -5.401
14 HG3 ARG 3 HG3 ARG 3 0.207 5.234 -5.341
15 HD2 ARG 3 HD2 ARG 3 0.489 3.877 -7.981
16 HD3 ARG 3 HD3 ARG 3 -0.850 3.427 -6.925
17 HE ARG 3 HE ARG 3 -0.783 6.214 -7.107
18 HH11 ARG 3 HH11 ARG 3 -1.394 3.448 -9.130
19 HH12 ARG 3 HH12 ARG 3 -2.489 4.291 -10.176
20 HH21 ARG 3 HH21 ARG 3 -2.221 7.335 -8.476
21 HH22 ARG 3 HH22 ARG 3 -2.958 6.503 -9.804
22 H LEU 4 H LEU 4 4.369 6.322 -5.629
23 HA LEU 4 HA LEU 4 6.300 6.049 -7.796
24 HB2 LEU 4 HB2 LEU 4 5.322 8.291 -6.095
25 HB3 LEU 4 HB3 LEU 4 6.909 8.428 -6.851
26 HG LEU 4 HG LEU 4 5.104 9.536 -8.130
27 HD11 LEU 4 HD11 LEU 4 6.473 9.182 -9.834
28 HD12 LEU 4 HD12 LEU 4 5.666 7.646 -10.145
29 HD13 LEU 4 HD13 LEU 4 7.072 7.704 -9.082
30 HD21 LEU 4 HD21 LEU 4 3.441 8.223 -9.284
31 HD22 LEU 4 HD22 LEU 4 3.313 7.936 -7.548
32 HD23 LEU 4 HD23 LEU 4 4.082 6.735 -8.586
33 H ALA 5 H ALA 5 6.185 6.312 -4.285
34 HA ALA 5 HA ALA 5 9.044 6.346 -3.986
35 HB1 ALA 5 HB1 ALA 5 8.496 7.131 -1.988
36 HB2 ALA 5 HB2 ALA 5 6.793 6.813 -2.319
37 HB3 ALA 5 HB3 ALA 5 7.791 5.571 -1.564
38 H CYS 6 H CYS 6 7.051 3.983 -4.986
39 HA CYS 6 HA CYS 6 7.619 1.739 -3.441
40 HB2 CYS 6 HB2 CYS 6 6.649 0.518 -5.121
41 HB3 CYS 6 HB3 CYS 6 6.081 2.121 -5.576
42 H GLY 7 H GLY 7 9.647 3.534 -5.564
43 HA2 GLY 7 HA2 GLY 7 11.541 1.417 -6.044
44 HA3 GLY 7 HA3 GLY 7 11.750 3.117 -6.440
45 H LEU 8 H LEU 8 10.921 3.497 -3.436
46 HA LEU 8 HA LEU 8 13.674 3.502 -2.489
47 HB2 LEU 8 HB2 LEU 8 11.121 4.715 -1.475
48 HB3 LEU 8 HB3 LEU 8 12.594 4.699 -0.508
49 HG LEU 8 HG LEU 8 12.521 5.919 -3.252
50 HD11 LEU 8 HD11 LEU 8 12.444 7.933 -1.274
51 HD12 LEU 8 HD12 LEU 8 11.104 6.833 -0.957
52 HD13 LEU 8 HD13 LEU 8 11.262 7.596 -2.539
53 HD21 LEU 8 HD21 LEU 8 14.629 5.326 -1.737
54 HD22 LEU 8 HD22 LEU 8 14.223 6.890 -1.029
55 HD23 LEU 8 HD23 LEU 8 14.568 6.766 -2.754
56 H GLY 9 H GLY 9 13.214 0.978 -2.612
57 HA2 GLY 9 HA2 GLY 9 13.212 -0.966 -1.391
58 HA3 GLY 9 HA3 GLY 9 13.337 0.038 0.046
59 H CYS 10 H CYS 10 10.684 0.310 -2.216
60 HA CYS 10 HA CYS 10 8.926 -1.057 -0.292
61 HB2 CYS 10 HB2 CYS 10 8.606 1.301 0.080
62 HB3 CYS 10 HB3 CYS 10 8.451 1.602 -1.647
63 H HIS 11 H HIS 11 8.938 -2.889 -1.646
64 HA HIS 11 HA HIS 11 7.198 -2.606 -3.989
65 HB2 HIS 11 HB2 HIS 11 8.796 -4.592 -4.864
66 HB3 HIS 11 HB3 HIS 11 9.064 -2.896 -5.256
67 HD1 HIS 11 HD1 HIS 11 11.206 -1.854 -4.455
68 HD2 HIS 11 HD2 HIS 11 10.508 -5.585 -2.766
69 HE1 HIS 11 HE1 HIS 11 13.321 -2.443 -3.229
70 HA HYP 12 HA HYP 12 7.005 -4.438 -5.696
71 HB2 HYP 12 HB2 HYP 12 4.515 -5.234 -6.429
72 HB3 HYP 12 HB3 HYP 12 5.884 -6.347 -6.310
73 HG HYP 12 HG HYP 12 3.679 -5.840 -4.349
74 HD22 HYP 12 HD2 HYP 12 5.057 -6.165 -2.531
75 HD23 HYP 12 HD3 HYP 12 6.210 -7.146 -3.459
76 HD1 HYP 12 HOD HYP 12 5.207 -7.834 -4.615
77 H CYS 13 H CYS 13 5.689 -2.979 -7.070
78 HA CYS 13 HA CYS 13 4.596 -0.824 -5.449
79 HB2 CYS 13 HB2 CYS 13 4.804 -0.687 -8.432
80 HB3 CYS 13 HB3 CYS 13 5.018 0.590 -7.238
81 H CYS 14 H CYS 14 2.508 0.181 -5.828
82 HA CYS 14 HA CYS 14 0.530 -1.700 -6.706
83 HB2 CYS 14 HB3 CYS 14 0.578 0.604 -5.043
84 HB3 CYS 14 HB2 CYS 14 -0.830 0.274 -5.802
85 HN1 NH2 15 1HN NH2 15 -0.535 -0.270 -9.657
86 HN2 NH2 15 2HN NH2 15 -0.576 -1.607 -8.556
Start of MODEL 6
1 H1 CYS 1 H CYS 1 1.561 -0.932 0.640
2 HA CYS 1 HA CYS 1 3.085 -0.685 -1.076
3 HB2 CYS 1 HB2 CYS 1 2.093 -1.186 -3.193
4 HB3 CYS 1 HB3 CYS 1 1.125 -1.995 -1.965
5 H CYS 2 H CYS 2 4.076 0.680 -2.612
6 HA CYS 2 HA CYS 2 3.048 3.441 -2.587
7 HB2 CYS 2 HB2 CYS 2 5.932 2.763 -3.069
8 HB3 CYS 2 HB3 CYS 2 5.232 4.265 -2.474
9 H ARG 3 H ARG 3 3.226 4.687 -4.479
10 HA ARG 3 HA ARG 3 3.200 3.092 -6.921
11 HB2 ARG 3 HB2 ARG 3 2.149 5.764 -6.121
12 HB3 ARG 3 HB3 ARG 3 2.527 5.503 -7.819
13 HG2 ARG 3 HG2 ARG 3 0.302 4.930 -7.726
14 HG3 ARG 3 HG3 ARG 3 1.089 3.361 -7.545
15 HD2 ARG 3 HD2 ARG 3 -0.491 3.303 -5.862
16 HD3 ARG 3 HD3 ARG 3 0.939 3.873 -5.003
17 HE ARG 3 HE ARG 3 -0.112 5.879 -4.652
18 HH11 ARG 3 HH11 ARG 3 -1.828 4.095 -7.100
19 HH12 ARG 3 HH12 ARG 3 -3.166 5.195 -7.149
20 HH21 ARG 3 HH21 ARG 3 -1.867 7.335 -4.708
21 HH22 ARG 3 HH22 ARG 3 -3.186 7.038 -5.789
22 H LEU 4 H LEU 4 4.506 6.291 -6.019
23 HA LEU 4 HA LEU 4 6.585 5.987 -8.039
24 HB2 LEU 4 HB2 LEU 4 5.515 8.256 -6.426
25 HB3 LEU 4 HB3 LEU 4 7.135 8.376 -7.110
26 HG LEU 4 HG LEU 4 5.491 9.481 -8.527
27 HD11 LEU 4 HD11 LEU 4 5.976 7.254 -10.301
28 HD12 LEU 4 HD12 LEU 4 7.398 7.628 -9.328
29 HD13 LEU 4 HD13 LEU 4 6.655 8.882 -10.321
30 HD21 LEU 4 HD21 LEU 4 3.529 8.170 -7.929
31 HD22 LEU 4 HD22 LEU 4 4.210 6.757 -8.737
32 HD23 LEU 4 HD23 LEU 4 3.764 8.182 -9.678
33 H ALA 5 H ALA 5 6.221 6.296 -4.548
34 HA ALA 5 HA ALA 5 9.052 6.330 -4.048
35 HB1 ALA 5 HB1 ALA 5 8.365 7.143 -2.104
36 HB2 ALA 5 HB2 ALA 5 6.689 6.823 -2.552
37 HB3 ALA 5 HB3 ALA 5 7.629 5.589 -1.711
38 H CYS 6 H CYS 6 7.129 3.958 -5.156
39 HA CYS 6 HA CYS 6 7.581 1.733 -3.545
40 HB2 CYS 6 HB2 CYS 6 6.731 0.491 -5.274
41 HB3 CYS 6 HB3 CYS 6 6.200 2.089 -5.789
42 H GLY 7 H GLY 7 9.759 3.498 -5.542
43 HA2 GLY 7 HA2 GLY 7 11.678 1.372 -5.858
44 HA3 GLY 7 HA3 GLY 7 11.919 3.066 -6.261
45 H LEU 8 H LEU 8 10.879 3.487 -3.329
46 HA LEU 8 HA LEU 8 13.557 3.500 -2.188
47 HB2 LEU 8 HB2 LEU 8 10.954 4.789 -1.486
48 HB3 LEU 8 HB3 LEU 8 12.232 4.671 -0.278
49 HG LEU 8 HG LEU 8 13.684 5.815 -2.129
50 HD11 LEU 8 HD11 LEU 8 12.637 6.965 -3.790
51 HD12 LEU 8 HD12 LEU 8 11.134 7.130 -2.885
52 HD13 LEU 8 HD13 LEU 8 11.533 5.596 -3.656
53 HD21 LEU 8 HD21 LEU 8 11.828 6.896 -0.115
54 HD22 LEU 8 HD22 LEU 8 12.426 8.055 -1.302
55 HD23 LEU 8 HD23 LEU 8 13.564 7.141 -0.311
56 H GLY 9 H GLY 9 13.102 0.976 -2.311
57 HA2 GLY 9 HA2 GLY 9 13.009 -0.952 -1.068
58 HA3 GLY 9 HA3 GLY 9 13.033 0.071 0.361
59 H CYS 10 H CYS 10 10.549 0.316 -2.087
60 HA CYS 10 HA CYS 10 8.656 -1.022 -0.275
61 HB2 CYS 10 HB2 CYS 10 8.315 1.341 0.043
62 HB3 CYS 10 HB3 CYS 10 8.284 1.619 -1.695
63 H HIS 11 H HIS 11 8.759 -2.873 -1.600
64 HA HIS 11 HA HIS 11 7.191 -2.618 -4.065
65 HB2 HIS 11 HB2 HIS 11 8.843 -4.617 -4.798
66 HB3 HIS 11 HB3 HIS 11 9.141 -2.927 -5.192
67 HD1 HIS 11 HD1 HIS 11 11.223 -1.877 -4.254
68 HD2 HIS 11 HD2 HIS 11 10.399 -5.586 -2.571
69 HE1 HIS 11 HE1 HIS 11 13.245 -2.453 -2.873
70 HA HYP 12 HA HYP 12 7.116 -4.472 -5.757
71 HB2 HYP 12 HB2 HYP 12 4.683 -5.275 -6.654
72 HB3 HYP 12 HB3 HYP 12 6.037 -6.388 -6.424
73 HG HYP 12 HG HYP 12 3.700 -5.852 -4.632
74 HD22 HYP 12 HD2 HYP 12 4.944 -6.155 -2.716
75 HD23 HYP 12 HD3 HYP 12 6.158 -7.149 -3.547
76 HD1 HYP 12 HOD HYP 12 5.238 -7.851 -4.762
77 H CYS 13 H CYS 13 5.904 -3.030 -7.239
78 HA CYS 13 HA CYS 13 4.703 -0.853 -5.729
79 HB2 CYS 13 HB2 CYS 13 5.122 -0.754 -8.690
80 HB3 CYS 13 HB3 CYS 13 5.254 0.537 -7.501
81 H CYS 14 H CYS 14 2.649 0.150 -6.268
82 HA CYS 14 HA CYS 14 0.734 -1.740 -7.259
83 HB2 CYS 14 HB3 CYS 14 0.669 0.586 -5.628
84 HB3 CYS 14 HB2 CYS 14 -0.682 0.248 -6.481
85 HN1 NH2 15 1HN NH2 15 -0.114 -0.349 -10.298
86 HN2 NH2 15 2HN NH2 15 -0.237 -1.670 -9.185
Start of MODEL 7
1 H1 CYS 1 H CYS 1 0.611 -0.225 0.262
2 HA CYS 1 HA CYS 1 3.252 -0.895 -0.861
3 HB2 CYS 1 HB2 CYS 1 2.200 -1.424 -2.942
4 HB3 CYS 1 HB3 CYS 1 1.304 -2.266 -1.682
5 H CYS 2 H CYS 2 4.142 0.503 -2.428
6 HA CYS 2 HA CYS 2 3.027 3.230 -2.360
7 HB2 CYS 2 HB2 CYS 2 5.913 2.645 -2.947
8 HB3 CYS 2 HB3 CYS 2 5.187 4.123 -2.324
9 H ARG 3 H ARG 3 3.097 4.484 -4.254
10 HA ARG 3 HA ARG 3 3.033 2.892 -6.697
11 HB2 ARG 3 HB2 ARG 3 1.923 5.524 -5.851
12 HB3 ARG 3 HB3 ARG 3 2.253 5.285 -7.561
13 HG2 ARG 3 HG2 ARG 3 0.884 3.136 -7.335
14 HG3 ARG 3 HG3 ARG 3 0.331 3.811 -5.801
15 HD2 ARG 3 HD2 ARG 3 0.146 5.278 -8.423
16 HD3 ARG 3 HD3 ARG 3 -1.148 4.263 -7.788
17 HE ARG 3 HE ARG 3 -0.462 6.075 -5.795
18 HH11 ARG 3 HH11 ARG 3 -1.804 6.121 -9.007
19 HH12 ARG 3 HH12 ARG 3 -2.734 7.558 -8.739
20 HH21 ARG 3 HH21 ARG 3 -1.682 7.968 -5.430
21 HH22 ARG 3 HH22 ARG 3 -2.663 8.608 -6.704
22 H LEU 4 H LEU 4 4.268 6.130 -5.835
23 HA LEU 4 HA LEU 4 6.281 5.895 -7.930
24 HB2 LEU 4 HB2 LEU 4 5.133 8.113 -6.322
25 HB3 LEU 4 HB3 LEU 4 6.774 8.305 -6.934
26 HG LEU 4 HG LEU 4 5.141 9.362 -8.404
27 HD11 LEU 4 HD11 LEU 4 7.230 7.838 -9.157
28 HD12 LEU 4 HD12 LEU 4 6.239 8.771 -10.278
29 HD13 LEU 4 HD13 LEU 4 5.928 7.050 -10.049
30 HD21 LEU 4 HD21 LEU 4 3.203 8.003 -7.959
31 HD22 LEU 4 HD22 LEU 4 3.992 6.584 -8.648
32 HD23 LEU 4 HD23 LEU 4 3.565 7.947 -9.684
33 H ALA 5 H ALA 5 6.034 6.188 -4.428
34 HA ALA 5 HA ALA 5 8.879 6.312 -4.030
35 HB1 ALA 5 HB1 ALA 5 8.238 7.100 -2.061
36 HB2 ALA 5 HB2 ALA 5 6.558 6.727 -2.448
37 HB3 ALA 5 HB3 ALA 5 7.566 5.523 -1.645
38 H CYS 6 H CYS 6 6.994 3.880 -5.073
39 HA CYS 6 HA CYS 6 7.576 1.670 -3.486
40 HB2 CYS 6 HB2 CYS 6 6.703 0.403 -5.185
41 HB3 CYS 6 HB3 CYS 6 6.103 1.984 -5.677
42 H GLY 7 H GLY 7 9.622 3.506 -5.556
43 HA2 GLY 7 HA2 GLY 7 11.595 1.443 -5.947
44 HA3 GLY 7 HA3 GLY 7 11.766 3.144 -6.353
45 H LEU 8 H LEU 8 10.821 3.528 -3.385
46 HA LEU 8 HA LEU 8 13.537 3.626 -2.342
47 HB2 LEU 8 HB2 LEU 8 10.917 4.807 -1.500
48 HB3 LEU 8 HB3 LEU 8 12.287 4.773 -0.392
49 HG LEU 8 HG LEU 8 12.421 6.057 -3.111
50 HD11 LEU 8 HD11 LEU 8 12.341 8.038 -1.140
51 HD12 LEU 8 HD12 LEU 8 11.002 6.949 -0.779
52 HD13 LEU 8 HD13 LEU 8 11.126 7.697 -2.371
53 HD21 LEU 8 HD21 LEU 8 14.110 6.264 -0.622
54 HD22 LEU 8 HD22 LEU 8 14.310 7.263 -2.062
55 HD23 LEU 8 HD23 LEU 8 14.567 5.520 -2.154
56 H GLY 9 H GLY 9 13.158 1.089 -2.454
57 HA2 GLY 9 HA2 GLY 9 13.173 -0.843 -1.213
58 HA3 GLY 9 HA3 GLY 9 13.216 0.178 0.216
59 H CYS 10 H CYS 10 10.638 0.347 -2.139
60 HA CYS 10 HA CYS 10 8.855 -1.054 -0.263
61 HB2 CYS 10 HB2 CYS 10 8.451 1.296 0.073
62 HB3 CYS 10 HB3 CYS 10 8.348 1.576 -1.663
63 H HIS 11 H HIS 11 8.969 -2.898 -1.596
64 HA HIS 11 HA HIS 11 7.306 -2.691 -4.001
65 HB2 HIS 11 HB2 HIS 11 8.993 -4.636 -4.799
66 HB3 HIS 11 HB3 HIS 11 9.223 -2.936 -5.199
67 HD1 HIS 11 HD1 HIS 11 11.303 -1.821 -4.334
68 HD2 HIS 11 HD2 HIS 11 10.659 -5.556 -2.632
69 HE1 HIS 11 HE1 HIS 11 13.390 -2.334 -3.029
70 HA HYP 12 HA HYP 12 7.229 -4.545 -5.694
71 HB2 HYP 12 HB2 HYP 12 4.791 -5.423 -6.504
72 HB3 HYP 12 HB3 HYP 12 6.187 -6.493 -6.326
73 HG HYP 12 HG HYP 12 3.901 -6.034 -4.449
74 HD22 HYP 12 HD2 HYP 12 5.223 -6.300 -2.580
75 HD23 HYP 12 HD3 HYP 12 6.437 -7.254 -3.457
76 HD1 HYP 12 HOD HYP 12 5.497 -7.983 -4.639
77 H CYS 13 H CYS 13 5.918 -3.140 -7.128
78 HA CYS 13 HA CYS 13 4.704 -1.004 -5.570
79 HB2 CYS 13 HB2 CYS 13 5.013 -0.889 -8.545
80 HB3 CYS 13 HB3 CYS 13 5.145 0.405 -7.358
81 H CYS 14 H CYS 14 2.601 -0.067 -6.032
82 HA CYS 14 HA CYS 14 0.713 -2.015 -6.958
83 HB2 CYS 14 HB3 CYS 14 0.633 0.304 -5.319
84 HB3 CYS 14 HB2 CYS 14 -0.737 -0.076 -6.123
85 HN1 NH2 15 1HN NH2 15 -0.290 -0.647 -9.960
86 HN2 NH2 15 2HN NH2 15 -0.330 -1.974 -8.847
Start of MODEL 8
1 H1 CYS 1 H CYS 1 1.152 -1.130 0.768
2 HA CYS 1 HA CYS 1 3.370 -0.767 -0.628
3 HB2 CYS 1 HB2 CYS 1 2.201 -1.229 -2.662
4 HB3 CYS 1 HB3 CYS 1 1.343 -2.066 -1.372
5 H CYS 2 H CYS 2 4.224 0.630 -2.215
6 HA CYS 2 HA CYS 2 3.197 3.388 -2.049
7 HB2 CYS 2 HB2 CYS 2 6.031 2.728 -2.788
8 HB3 CYS 2 HB3 CYS 2 5.382 4.216 -2.106
9 H ARG 3 H ARG 3 3.212 4.671 -3.924
10 HA ARG 3 HA ARG 3 2.980 3.124 -6.386
11 HB2 ARG 3 HB2 ARG 3 2.174 5.935 -5.642
12 HB3 ARG 3 HB3 ARG 3 2.062 5.315 -7.284
13 HG2 ARG 3 HG2 ARG 3 0.817 3.490 -5.451
14 HG3 ARG 3 HG3 ARG 3 0.160 5.115 -5.248
15 HD2 ARG 3 HD2 ARG 3 0.466 3.822 -7.945
16 HD3 ARG 3 HD3 ARG 3 -0.979 3.612 -6.956
17 HE ARG 3 HE ARG 3 -0.615 6.318 -7.089
18 HH11 ARG 3 HH11 ARG 3 -0.984 3.753 -9.414
19 HH12 ARG 3 HH12 ARG 3 -1.741 4.762 -10.602
20 HH21 ARG 3 HH21 ARG 3 -1.610 7.657 -8.645
21 HH22 ARG 3 HH22 ARG 3 -2.095 6.983 -10.164
22 H LEU 4 H LEU 4 4.353 6.308 -5.535
23 HA LEU 4 HA LEU 4 6.253 6.051 -7.731
24 HB2 LEU 4 HB2 LEU 4 5.286 8.279 -6.010
25 HB3 LEU 4 HB3 LEU 4 6.873 8.425 -6.764
26 HG LEU 4 HG LEU 4 5.101 9.546 -8.049
27 HD11 LEU 4 HD11 LEU 4 6.277 9.118 -9.881
28 HD12 LEU 4 HD12 LEU 4 5.661 7.468 -9.963
29 HD13 LEU 4 HD13 LEU 4 7.086 7.830 -8.989
30 HD21 LEU 4 HD21 LEU 4 3.279 7.984 -7.425
31 HD22 LEU 4 HD22 LEU 4 3.994 6.777 -8.495
32 HD23 LEU 4 HD23 LEU 4 3.376 8.290 -9.159
33 H ALA 5 H ALA 5 6.188 6.291 -4.216
34 HA ALA 5 HA ALA 5 9.051 6.324 -3.959
35 HB1 ALA 5 HB1 ALA 5 8.531 7.096 -1.948
36 HB2 ALA 5 HB2 ALA 5 6.824 6.779 -2.257
37 HB3 ALA 5 HB3 ALA 5 7.834 5.533 -1.524
38 H CYS 6 H CYS 6 7.044 3.967 -4.945
39 HA CYS 6 HA CYS 6 7.635 1.713 -3.423
40 HB2 CYS 6 HB2 CYS 6 6.642 0.502 -5.097
41 HB3 CYS 6 HB3 CYS 6 6.067 2.108 -5.533
42 H GLY 7 H GLY 7 9.632 3.523 -5.564
43 HA2 GLY 7 HA2 GLY 7 11.520 1.410 -6.084
44 HA3 GLY 7 HA3 GLY 7 11.723 3.112 -6.472
45 H LEU 8 H LEU 8 10.937 3.473 -3.454
46 HA LEU 8 HA LEU 8 13.703 3.472 -2.546
47 HB2 LEU 8 HB2 LEU 8 11.164 4.690 -1.511
48 HB3 LEU 8 HB3 LEU 8 12.629 4.645 -0.534
49 HG LEU 8 HG LEU 8 13.586 5.775 -2.794
50 HD11 LEU 8 HD11 LEU 8 10.926 7.106 -2.513
51 HD12 LEU 8 HD12 LEU 8 11.120 5.728 -3.596
52 HD13 LEU 8 HD13 LEU 8 12.085 7.184 -3.840
53 HD21 LEU 8 HD21 LEU 8 13.845 7.663 -1.522
54 HD22 LEU 8 HD22 LEU 8 13.499 6.476 -0.264
55 HD23 LEU 8 HD23 LEU 8 12.225 7.557 -0.833
56 H GLY 9 H GLY 9 13.242 0.950 -2.680
57 HA2 GLY 9 HA2 GLY 9 13.258 -1.003 -1.471
58 HA3 GLY 9 HA3 GLY 9 13.403 -0.008 -0.030
59 H CYS 10 H CYS 10 10.719 0.277 -2.251
60 HA CYS 10 HA CYS 10 8.988 -1.103 -0.311
61 HB2 CYS 10 HB2 CYS 10 8.673 1.253 0.081
62 HB3 CYS 10 HB3 CYS 10 8.493 1.565 -1.642
63 H HIS 11 H HIS 11 8.981 -2.926 -1.677
64 HA HIS 11 HA HIS 11 7.208 -2.629 -3.994
65 HB2 HIS 11 HB2 HIS 11 8.794 -4.608 -4.904
66 HB3 HIS 11 HB3 HIS 11 9.055 -2.909 -5.289
67 HD1 HIS 11 HD1 HIS 11 11.207 -1.870 -4.508
68 HD2 HIS 11 HD2 HIS 11 10.538 -5.616 -2.840
69 HE1 HIS 11 HE1 HIS 11 13.340 -2.467 -3.317
70 HA HYP 12 HA HYP 12 6.992 -4.449 -5.709
71 HB2 HYP 12 HB2 HYP 12 4.492 -5.242 -6.411
72 HB3 HYP 12 HB3 HYP 12 5.862 -6.355 -6.320
73 HG HYP 12 HG HYP 12 3.686 -5.861 -4.324
74 HD22 HYP 12 HD2 HYP 12 5.089 -6.198 -2.528
75 HD23 HYP 12 HD3 HYP 12 6.229 -7.172 -3.479
76 HD1 HYP 12 HOD HYP 12 5.210 -7.853 -4.624
77 H CYS 13 H CYS 13 5.656 -2.982 -7.054
78 HA CYS 13 HA CYS 13 4.584 -0.838 -5.404
79 HB2 CYS 13 HB2 CYS 13 4.750 -0.681 -8.388
80 HB3 CYS 13 HB3 CYS 13 4.980 0.587 -7.189
81 H CYS 14 H CYS 14 2.491 0.168 -5.746
82 HA CYS 14 HA CYS 14 0.501 -1.708 -6.608
83 HB2 CYS 14 HB3 CYS 14 0.572 0.585 -4.932
84 HB3 CYS 14 HB2 CYS 14 -0.846 0.259 -5.672
85 HN1 NH2 15 1HN NH2 15 -0.605 -0.259 -9.535
86 HN2 NH2 15 2HN NH2 15 -0.631 -1.603 -8.442
Start of MODEL 9
1 H1 CYS 1 H CYS 1 0.713 -1.053 0.107
2 HA CYS 1 HA CYS 1 3.071 -0.719 -1.083
3 HB2 CYS 1 HB2 CYS 1 2.085 -1.242 -3.198
4 HB3 CYS 1 HB3 CYS 1 1.127 -2.057 -1.967
5 H CYS 2 H CYS 2 4.046 0.649 -2.624
6 HA CYS 2 HA CYS 2 2.985 3.399 -2.613
7 HB2 CYS 2 HB2 CYS 2 5.878 2.752 -3.089
8 HB3 CYS 2 HB3 CYS 2 5.160 4.248 -2.503
9 H ARG 3 H ARG 3 3.151 4.638 -4.511
10 HA ARG 3 HA ARG 3 3.146 3.032 -6.945
11 HB2 ARG 3 HB2 ARG 3 2.049 5.682 -6.149
12 HB3 ARG 3 HB3 ARG 3 2.454 5.446 -7.844
13 HG2 ARG 3 HG2 ARG 3 0.250 4.821 -7.811
14 HG3 ARG 3 HG3 ARG 3 1.052 3.265 -7.588
15 HD2 ARG 3 HD2 ARG 3 -0.697 3.339 -5.999
16 HD3 ARG 3 HD3 ARG 3 0.794 3.627 -5.104
17 HE ARG 3 HE ARG 3 0.056 5.742 -4.610
18 HH11 ARG 3 HH11 ARG 3 -1.920 4.386 -7.135
19 HH12 ARG 3 HH12 ARG 3 -3.089 5.664 -7.085
20 HH21 ARG 3 HH21 ARG 3 -1.476 7.430 -4.535
21 HH22 ARG 3 HH22 ARG 3 -2.835 7.395 -5.606
22 H LEU 4 H LEU 4 4.413 6.249 -6.057
23 HA LEU 4 HA LEU 4 6.498 5.960 -8.074
24 HB2 LEU 4 HB2 LEU 4 5.336 8.211 -6.523
25 HB3 LEU 4 HB3 LEU 4 7.003 8.366 -7.075
26 HG LEU 4 HG LEU 4 5.372 9.435 -8.587
27 HD11 LEU 4 HD11 LEU 4 6.931 9.059 -10.113
28 HD12 LEU 4 HD12 LEU 4 6.178 7.508 -10.485
29 HD13 LEU 4 HD13 LEU 4 7.446 7.602 -9.263
30 HD21 LEU 4 HD21 LEU 4 3.710 8.284 -9.713
31 HD22 LEU 4 HD22 LEU 4 3.642 7.567 -8.103
32 HD23 LEU 4 HD23 LEU 4 4.453 6.712 -9.416
33 H ALA 5 H ALA 5 6.127 6.282 -4.585
34 HA ALA 5 HA ALA 5 8.957 6.351 -4.083
35 HB1 ALA 5 HB1 ALA 5 8.259 7.165 -2.143
36 HB2 ALA 5 HB2 ALA 5 6.587 6.823 -2.590
37 HB3 ALA 5 HB3 ALA 5 7.541 5.605 -1.744
38 H CYS 6 H CYS 6 7.063 3.951 -5.181
39 HA CYS 6 HA CYS 6 7.540 1.740 -3.560
40 HB2 CYS 6 HB2 CYS 6 6.705 0.480 -5.283
41 HB3 CYS 6 HB3 CYS 6 6.156 2.069 -5.806
42 H GLY 7 H GLY 7 9.699 3.520 -5.563
43 HA2 GLY 7 HA2 GLY 7 11.642 1.415 -5.868
44 HA3 GLY 7 HA3 GLY 7 11.863 3.110 -6.278
45 H LEU 8 H LEU 8 10.817 3.533 -3.349
46 HA LEU 8 HA LEU 8 13.494 3.582 -2.206
47 HB2 LEU 8 HB2 LEU 8 10.865 4.802 -1.432
48 HB3 LEU 8 HB3 LEU 8 12.233 4.786 -0.320
49 HG LEU 8 HG LEU 8 12.454 5.983 -3.066
50 HD11 LEU 8 HD11 LEU 8 11.376 7.852 -2.498
51 HD12 LEU 8 HD12 LEU 8 12.066 7.864 -0.875
52 HD13 LEU 8 HD13 LEU 8 10.639 6.887 -1.219
53 HD21 LEU 8 HD21 LEU 8 14.360 5.414 -1.254
54 HD22 LEU 8 HD22 LEU 8 13.904 7.033 -0.721
55 HD23 LEU 8 HD23 LEU 8 14.454 6.771 -2.377
56 H GLY 9 H GLY 9 13.067 1.053 -2.318
57 HA2 GLY 9 HA2 GLY 9 12.996 -0.871 -1.065
58 HA3 GLY 9 HA3 GLY 9 13.007 0.159 0.359
59 H CYS 10 H CYS 10 10.522 0.364 -2.092
60 HA CYS 10 HA CYS 10 8.643 -0.988 -0.275
61 HB2 CYS 10 HB2 CYS 10 8.275 1.372 0.031
62 HB3 CYS 10 HB3 CYS 10 8.242 1.642 -1.708
63 H HIS 11 H HIS 11 8.769 -2.843 -1.592
64 HA HIS 11 HA HIS 11 7.200 -2.618 -4.059
65 HB2 HIS 11 HB2 HIS 11 8.875 -4.602 -4.781
66 HB3 HIS 11 HB3 HIS 11 9.154 -2.910 -5.183
67 HD1 HIS 11 HD1 HIS 11 11.223 -1.831 -4.246
68 HD2 HIS 11 HD2 HIS 11 10.442 -5.542 -2.550
69 HE1 HIS 11 HE1 HIS 11 13.250 -2.377 -2.862
70 HA HYP 12 HA HYP 12 7.148 -4.481 -5.742
71 HB2 HYP 12 HB2 HYP 12 4.725 -5.316 -6.637
72 HB3 HYP 12 HB3 HYP 12 6.091 -6.412 -6.401
73 HG HYP 12 HG HYP 12 3.747 -5.895 -4.613
74 HD22 HYP 12 HD2 HYP 12 4.993 -6.174 -2.695
75 HD23 HYP 12 HD3 HYP 12 6.218 -7.159 -3.520
76 HD1 HYP 12 HOD HYP 12 5.308 -7.877 -4.732
77 H CYS 13 H CYS 13 5.921 -3.060 -7.232
78 HA CYS 13 HA CYS 13 4.693 -0.889 -5.734
79 HB2 CYS 13 HB2 CYS 13 5.114 -0.801 -8.695
80 HB3 CYS 13 HB3 CYS 13 5.229 0.498 -7.512
81 H CYS 14 H CYS 14 2.629 0.087 -6.279
82 HA CYS 14 HA CYS 14 0.737 -1.829 -7.263
83 HB2 CYS 14 HB3 CYS 14 0.643 0.502 -5.642
84 HB3 CYS 14 HB2 CYS 14 -0.703 0.145 -6.494
85 HN1 NH2 15 1HN NH2 15 -0.126 -0.461 -10.308
86 HN2 NH2 15 2HN NH2 15 -0.234 -1.779 -9.190
Start of MODEL 10
1 H1 CYS 1 H CYS 1 1.453 0.333 0.897
2 HA CYS 1 HA CYS 1 3.345 -0.878 -0.722
3 HB2 CYS 1 HB2 CYS 1 2.222 -1.359 -2.778
4 HB3 CYS 1 HB3 CYS 1 1.353 -2.208 -1.504
5 H CYS 2 H CYS 2 4.206 0.533 -2.293
6 HA CYS 2 HA CYS 2 3.133 3.274 -2.147
7 HB2 CYS 2 HB2 CYS 2 5.991 2.659 -2.832
8 HB3 CYS 2 HB3 CYS 2 5.305 4.136 -2.163
9 H ARG 3 H ARG 3 3.163 4.557 -4.022
10 HA ARG 3 HA ARG 3 3.002 3.007 -6.487
11 HB2 ARG 3 HB2 ARG 3 2.121 5.791 -5.737
12 HB3 ARG 3 HB3 ARG 3 2.085 5.207 -7.396
13 HG2 ARG 3 HG2 ARG 3 0.795 3.217 -5.990
14 HG3 ARG 3 HG3 ARG 3 0.255 4.703 -5.205
15 HD2 ARG 3 HD2 ARG 3 0.138 4.119 -8.162
16 HD3 ARG 3 HD3 ARG 3 -1.226 4.067 -7.046
17 HE ARG 3 HE ARG 3 0.090 6.599 -7.019
18 HH11 ARG 3 HH11 ARG 3 -2.196 4.642 -8.770
19 HH12 ARG 3 HH12 ARG 3 -3.028 5.998 -9.456
20 HH21 ARG 3 HH21 ARG 3 -0.998 8.391 -7.916
21 HH22 ARG 3 HH22 ARG 3 -2.345 8.130 -8.971
22 H LEU 4 H LEU 4 4.308 6.213 -5.612
23 HA LEU 4 HA LEU 4 6.253 5.985 -7.771
24 HB2 LEU 4 HB2 LEU 4 5.171 8.188 -6.105
25 HB3 LEU 4 HB3 LEU 4 6.807 8.372 -6.733
26 HG LEU 4 HG LEU 4 5.070 9.459 -8.127
27 HD11 LEU 4 HD11 LEU 4 6.558 9.187 -9.744
28 HD12 LEU 4 HD12 LEU 4 5.873 7.604 -10.110
29 HD13 LEU 4 HD13 LEU 4 7.186 7.747 -8.942
30 HD21 LEU 4 HD21 LEU 4 3.564 8.105 -9.453
31 HD22 LEU 4 HD22 LEU 4 3.285 7.808 -7.737
32 HD23 LEU 4 HD23 LEU 4 4.183 6.634 -8.701
33 H ALA 5 H ALA 5 6.117 6.224 -4.258
34 HA ALA 5 HA ALA 5 8.975 6.302 -3.947
35 HB1 ALA 5 HB1 ALA 5 8.405 7.066 -1.946
36 HB2 ALA 5 HB2 ALA 5 6.708 6.722 -2.287
37 HB3 ALA 5 HB3 ALA 5 7.724 5.492 -1.535
38 H CYS 6 H CYS 6 7.024 3.914 -4.970
39 HA CYS 6 HA CYS 6 7.622 1.670 -3.437
40 HB2 CYS 6 HB2 CYS 6 6.680 0.443 -5.129
41 HB3 CYS 6 HB3 CYS 6 6.088 2.040 -5.576
42 H GLY 7 H GLY 7 9.631 3.511 -5.539
43 HA2 GLY 7 HA2 GLY 7 11.561 1.428 -6.024
44 HA3 GLY 7 HA3 GLY 7 11.744 3.133 -6.408
45 H LEU 8 H LEU 8 10.896 3.482 -3.406
46 HA LEU 8 HA LEU 8 13.643 3.525 -2.446
47 HB2 LEU 8 HB2 LEU 8 11.067 4.729 -1.508
48 HB3 LEU 8 HB3 LEU 8 12.466 4.655 -0.439
49 HG LEU 8 HG LEU 8 13.665 5.850 -2.452
50 HD11 LEU 8 HD11 LEU 8 12.336 6.389 -4.143
51 HD12 LEU 8 HD12 LEU 8 11.482 7.487 -3.059
52 HD13 LEU 8 HD13 LEU 8 10.909 5.833 -3.268
53 HD21 LEU 8 HD21 LEU 8 13.367 6.745 -0.181
54 HD22 LEU 8 HD22 LEU 8 11.752 7.300 -0.624
55 HD23 LEU 8 HD23 LEU 8 13.170 7.987 -1.418
56 H GLY 9 H GLY 9 13.225 0.995 -2.587
57 HA2 GLY 9 HA2 GLY 9 13.250 -0.957 -1.378
58 HA3 GLY 9 HA3 GLY 9 13.351 0.040 0.065
59 H CYS 10 H CYS 10 10.705 0.283 -2.207
60 HA CYS 10 HA CYS 10 8.961 -1.124 -0.299
61 HB2 CYS 10 HB2 CYS 10 8.601 1.225 0.086
62 HB3 CYS 10 HB3 CYS 10 8.449 1.535 -1.640
63 H HIS 11 H HIS 11 9.008 -2.948 -1.664
64 HA HIS 11 HA HIS 11 7.275 -2.678 -4.014
65 HB2 HIS 11 HB2 HIS 11 8.909 -4.632 -4.894
66 HB3 HIS 11 HB3 HIS 11 9.150 -2.929 -5.274
67 HD1 HIS 11 HD1 HIS 11 11.271 -1.857 -4.453
68 HD2 HIS 11 HD2 HIS 11 10.628 -5.612 -2.797
69 HE1 HIS 11 HE1 HIS 11 13.390 -2.420 -3.222
70 HA HYP 12 HA HYP 12 7.120 -4.502 -5.733
71 HB2 HYP 12 HB2 HYP 12 4.646 -5.334 -6.482
72 HB3 HYP 12 HB3 HYP 12 6.032 -6.425 -6.364
73 HG HYP 12 HG HYP 12 3.811 -5.966 -4.410
74 HD22 HYP 12 HD2 HYP 12 5.186 -6.281 -2.588
75 HD23 HYP 12 HD3 HYP 12 6.358 -7.237 -3.517
76 HD1 HYP 12 HOD HYP 12 5.372 -7.933 -4.681
77 H CYS 13 H CYS 13 5.786 -3.056 -7.103
78 HA CYS 13 HA CYS 13 4.650 -0.930 -5.475
79 HB2 CYS 13 HB2 CYS 13 4.869 -0.770 -8.455
80 HB3 CYS 13 HB3 CYS 13 5.057 0.502 -7.252
81 H CYS 14 H CYS 14 2.548 0.043 -5.856
82 HA CYS 14 HA CYS 14 0.605 -1.864 -6.755
83 HB2 CYS 14 HB3 CYS 14 0.608 0.430 -5.078
84 HB3 CYS 14 HB2 CYS 14 -0.791 0.082 -5.845
85 HN1 NH2 15 1HN NH2 15 -0.469 -0.433 -9.702
86 HN2 NH2 15 2HN NH2 15 -0.494 -1.777 -8.610
Start of MODEL 11
1 H1 CYS 1 H CYS 1 0.968 0.527 0.315
2 HA CYS 1 HA CYS 1 3.111 -0.719 -1.056
3 HB2 CYS 1 HB2 CYS 1 2.110 -1.217 -3.170
4 HB3 CYS 1 HB3 CYS 1 1.152 -2.033 -1.940
5 H CYS 2 H CYS 2 4.090 0.653 -2.593
6 HA CYS 2 HA CYS 2 3.052 3.411 -2.556
7 HB2 CYS 2 HB2 CYS 2 5.937 2.744 -3.053
8 HB3 CYS 2 HB3 CYS 2 5.234 4.242 -2.451
9 H ARG 3 H ARG 3 3.217 4.663 -4.445
10 HA ARG 3 HA ARG 3 3.185 3.075 -6.891
11 HB2 ARG 3 HB2 ARG 3 2.114 5.728 -6.069
12 HB3 ARG 3 HB3 ARG 3 2.508 5.501 -7.768
13 HG2 ARG 3 HG2 ARG 3 0.312 4.877 -7.753
14 HG3 ARG 3 HG3 ARG 3 1.092 3.316 -7.488
15 HD2 ARG 3 HD2 ARG 3 -0.570 3.335 -5.873
16 HD3 ARG 3 HD3 ARG 3 0.845 3.889 -4.979
17 HE ARG 3 HE ARG 3 -0.149 5.944 -4.729
18 HH11 ARG 3 HH11 ARG 3 -1.890 4.088 -7.105
19 HH12 ARG 3 HH12 ARG 3 -3.211 5.204 -7.200
20 HH21 ARG 3 HH21 ARG 3 -1.882 7.422 -4.846
21 HH22 ARG 3 HH22 ARG 3 -3.205 7.101 -5.915
22 H LEU 4 H LEU 4 4.484 6.276 -5.986
23 HA LEU 4 HA LEU 4 6.554 5.985 -8.017
24 HB2 LEU 4 HB2 LEU 4 5.453 8.240 -6.416
25 HB3 LEU 4 HB3 LEU 4 7.094 8.376 -7.045
26 HG LEU 4 HG LEU 4 5.479 9.479 -8.503
27 HD11 LEU 4 HD11 LEU 4 6.376 8.729 -10.485
28 HD12 LEU 4 HD12 LEU 4 6.316 7.035 -9.998
29 HD13 LEU 4 HD13 LEU 4 7.540 8.105 -9.315
30 HD21 LEU 4 HD21 LEU 4 3.520 8.126 -7.993
31 HD22 LEU 4 HD22 LEU 4 4.255 6.737 -8.794
32 HD23 LEU 4 HD23 LEU 4 3.817 8.166 -9.731
33 H ALA 5 H ALA 5 6.206 6.283 -4.524
34 HA ALA 5 HA ALA 5 9.039 6.326 -4.037
35 HB1 ALA 5 HB1 ALA 5 8.359 7.130 -2.088
36 HB2 ALA 5 HB2 ALA 5 6.682 6.805 -2.528
37 HB3 ALA 5 HB3 ALA 5 7.630 5.573 -1.696
38 H CYS 6 H CYS 6 7.120 3.949 -5.142
39 HA CYS 6 HA CYS 6 7.587 1.722 -3.541
40 HB2 CYS 6 HB2 CYS 6 6.732 0.482 -5.268
41 HB3 CYS 6 HB3 CYS 6 6.193 2.079 -5.776
42 H GLY 7 H GLY 7 9.749 3.500 -5.543
43 HA2 GLY 7 HA2 GLY 7 11.673 1.382 -5.874
44 HA3 GLY 7 HA3 GLY 7 11.906 3.077 -6.273
45 H LEU 8 H LEU 8 10.880 3.487 -3.335
46 HA LEU 8 HA LEU 8 13.563 3.506 -2.207
47 HB2 LEU 8 HB2 LEU 8 10.959 4.783 -1.488
48 HB3 LEU 8 HB3 LEU 8 12.243 4.667 -0.287
49 HG LEU 8 HG LEU 8 13.678 5.818 -2.155
50 HD11 LEU 8 HD11 LEU 8 12.422 7.325 -3.556
51 HD12 LEU 8 HD12 LEU 8 10.902 6.741 -2.880
52 HD13 LEU 8 HD13 LEU 8 11.900 5.668 -3.861
53 HD21 LEU 8 HD21 LEU 8 12.189 6.709 0.082
54 HD22 LEU 8 HD22 LEU 8 12.048 7.936 -1.177
55 HD23 LEU 8 HD23 LEU 8 13.641 7.420 -0.623
56 H GLY 9 H GLY 9 13.116 0.981 -2.335
57 HA2 GLY 9 HA2 GLY 9 13.036 -0.952 -1.097
58 HA3 GLY 9 HA3 GLY 9 13.063 0.068 0.335
59 H CYS 10 H CYS 10 10.567 0.311 -2.100
60 HA CYS 10 HA CYS 10 8.686 -1.039 -0.283
61 HB2 CYS 10 HB2 CYS 10 8.339 1.321 0.043
62 HB3 CYS 10 HB3 CYS 10 8.299 1.605 -1.694
63 H HIS 11 H HIS 11 8.790 -2.886 -1.614
64 HA HIS 11 HA HIS 11 7.209 -2.629 -4.071
65 HB2 HIS 11 HB2 HIS 11 8.864 -4.621 -4.817
66 HB3 HIS 11 HB3 HIS 11 9.155 -2.929 -5.208
67 HD1 HIS 11 HD1 HIS 11 11.237 -1.873 -4.275
68 HD2 HIS 11 HD2 HIS 11 10.436 -5.591 -2.602
69 HE1 HIS 11 HE1 HIS 11 13.267 -2.446 -2.906
70 HA HYP 12 HA HYP 12 7.132 -4.479 -5.768
71 HB2 HYP 12 HB2 HYP 12 4.697 -5.287 -6.655
72 HB3 HYP 12 HB3 HYP 12 6.056 -6.396 -6.435
73 HG HYP 12 HG HYP 12 3.726 -5.873 -4.630
74 HD22 HYP 12 HD2 HYP 12 4.981 -6.178 -2.721
75 HD23 HYP 12 HD3 HYP 12 6.194 -7.166 -3.560
76 HD1 HYP 12 HOD HYP 12 5.270 -7.867 -4.773
77 H CYS 13 H CYS 13 5.908 -3.037 -7.240
78 HA CYS 13 HA CYS 13 4.707 -0.868 -5.718
79 HB2 CYS 13 HB2 CYS 13 5.112 -0.760 -8.681
80 HB3 CYS 13 HB3 CYS 13 5.245 0.529 -7.488
81 H CYS 14 H CYS 14 2.647 0.129 -6.244
82 HA CYS 14 HA CYS 14 0.734 -1.764 -7.232
83 HB2 CYS 14 HB3 CYS 14 0.669 0.556 -5.593
84 HB3 CYS 14 HB2 CYS 14 -0.685 0.216 -6.440
85 HN1 NH2 15 1HN NH2 15 -0.134 -0.366 -10.262
86 HN2 NH2 15 2HN NH2 15 -0.247 -1.692 -9.153
Start of MODEL 12
1 H1 CYS 1 H CYS 1 0.928 -0.715 0.686
2 HA CYS 1 HA CYS 1 3.352 -0.598 -0.611
3 HB2 CYS 1 HB2 CYS 1 2.177 -1.051 -2.644
4 HB3 CYS 1 HB3 CYS 1 1.297 -1.856 -1.348
5 H CYS 2 H CYS 2 4.241 0.766 -2.208
6 HA CYS 2 HA CYS 2 3.278 3.547 -2.067
7 HB2 CYS 2 HB2 CYS 2 6.098 2.816 -2.795
8 HB3 CYS 2 HB3 CYS 2 5.482 4.324 -2.127
9 H ARG 3 H ARG 3 3.326 4.814 -3.953
10 HA ARG 3 HA ARG 3 3.063 3.252 -6.402
11 HB2 ARG 3 HB2 ARG 3 2.147 5.940 -5.494
12 HB3 ARG 3 HB3 ARG 3 2.364 5.679 -7.219
13 HG2 ARG 3 HG2 ARG 3 0.936 3.463 -6.414
14 HG3 ARG 3 HG3 ARG 3 0.253 4.775 -5.451
15 HD2 ARG 3 HD2 ARG 3 -0.452 5.951 -7.316
16 HD3 ARG 3 HD3 ARG 3 0.704 5.151 -8.380
17 HE ARG 3 HE ARG 3 -0.968 3.155 -7.563
18 HH11 ARG 3 HH11 ARG 3 -1.388 6.238 -9.123
19 HH12 ARG 3 HH12 ARG 3 -2.800 5.749 -10.000
20 HH21 ARG 3 HH21 ARG 3 -2.827 2.499 -8.711
21 HH22 ARG 3 HH22 ARG 3 -3.618 3.622 -9.764
22 H LEU 4 H LEU 4 4.508 6.411 -5.576
23 HA LEU 4 HA LEU 4 6.406 6.090 -7.765
24 HB2 LEU 4 HB2 LEU 4 5.509 8.358 -6.051
25 HB3 LEU 4 HB3 LEU 4 7.081 8.456 -6.843
26 HG LEU 4 HG LEU 4 5.365 9.613 -8.128
27 HD11 LEU 4 HD11 LEU 4 6.322 9.003 -10.047
28 HD12 LEU 4 HD12 LEU 4 5.732 7.346 -9.917
29 HD13 LEU 4 HD13 LEU 4 7.213 7.823 -9.087
30 HD21 LEU 4 HD21 LEU 4 3.419 8.342 -7.432
31 HD22 LEU 4 HD22 LEU 4 4.024 6.914 -8.271
32 HD23 LEU 4 HD23 LEU 4 3.550 8.343 -9.190
33 H ALA 5 H ALA 5 6.339 6.362 -4.253
34 HA ALA 5 HA ALA 5 9.202 6.331 -3.990
35 HB1 ALA 5 HB1 ALA 5 6.982 6.852 -2.297
36 HB2 ALA 5 HB2 ALA 5 7.962 5.589 -1.551
37 HB3 ALA 5 HB3 ALA 5 8.695 7.132 -1.986
38 H CYS 6 H CYS 6 7.143 4.013 -4.961
39 HA CYS 6 HA CYS 6 7.679 1.759 -3.419
40 HB2 CYS 6 HB2 CYS 6 6.661 0.557 -5.084
41 HB3 CYS 6 HB3 CYS 6 6.124 2.172 -5.535
42 H GLY 7 H GLY 7 9.722 3.504 -5.570
43 HA2 GLY 7 HA2 GLY 7 11.560 1.343 -6.068
44 HA3 GLY 7 HA3 GLY 7 11.804 3.037 -6.470
45 H LEU 8 H LEU 8 11.021 3.441 -3.457
46 HA LEU 8 HA LEU 8 13.784 3.385 -2.544
47 HB2 LEU 8 HB2 LEU 8 11.274 4.706 -1.593
48 HB3 LEU 8 HB3 LEU 8 12.667 4.567 -0.522
49 HG LEU 8 HG LEU 8 13.875 5.675 -2.633
50 HD11 LEU 8 HD11 LEU 8 12.509 7.259 -3.751
51 HD12 LEU 8 HD12 LEU 8 11.127 6.899 -2.717
52 HD13 LEU 8 HD13 LEU 8 11.694 5.700 -3.879
53 HD21 LEU 8 HD21 LEU 8 12.272 7.349 -0.716
54 HD22 LEU 8 HD22 LEU 8 13.833 7.719 -1.449
55 HD23 LEU 8 HD23 LEU 8 13.709 6.449 -0.231
56 H GLY 9 H GLY 9 13.265 0.872 -2.657
57 HA2 GLY 9 HA2 GLY 9 13.234 -1.070 -1.432
58 HA3 GLY 9 HA3 GLY 9 13.399 -0.066 0.001
59 H CYS 10 H CYS 10 10.726 0.262 -2.228
60 HA CYS 10 HA CYS 10 8.961 -1.061 -0.280
61 HB2 CYS 10 HB2 CYS 10 8.699 1.304 0.092
62 HB3 CYS 10 HB3 CYS 10 8.530 1.606 -1.635
63 H HIS 11 H HIS 11 8.914 -2.895 -1.630
64 HA HIS 11 HA HIS 11 7.153 -2.577 -3.953
65 HB2 HIS 11 HB2 HIS 11 8.694 -4.600 -4.844
66 HB3 HIS 11 HB3 HIS 11 8.996 -2.911 -5.242
67 HD1 HIS 11 HD1 HIS 11 11.170 -1.916 -4.468
68 HD2 HIS 11 HD2 HIS 11 10.409 -5.629 -2.765
69 HE1 HIS 11 HE1 HIS 11 13.286 -2.552 -3.267
70 HA HYP 12 HA HYP 12 6.898 -4.407 -5.654
71 HB2 HYP 12 HB2 HYP 12 4.381 -5.147 -6.354
72 HB3 HYP 12 HB3 HYP 12 5.725 -6.290 -6.250
73 HG HYP 12 HG HYP 12 3.557 -5.730 -4.263
74 HD22 HYP 12 HD2 HYP 12 4.949 -6.084 -2.461
75 HD23 HYP 12 HD3 HYP 12 6.068 -7.092 -3.402
76 HD1 HYP 12 HOD HYP 12 5.036 -7.759 -4.544
77 H CYS 13 H CYS 13 5.598 -2.921 -7.014
78 HA CYS 13 HA CYS 13 4.574 -0.739 -5.384
79 HB2 CYS 13 HB2 CYS 13 4.748 -0.611 -8.369
80 HB3 CYS 13 HB3 CYS 13 5.006 0.662 -7.180
81 H CYS 14 H CYS 14 2.505 0.313 -5.739
82 HA CYS 14 HA CYS 14 0.474 -1.524 -6.589
83 HB2 CYS 14 HB3 CYS 14 0.595 0.781 -4.932
84 HB3 CYS 14 HB2 CYS 14 -0.830 0.482 -5.672
85 HN1 NH2 15 1HN NH2 15 -0.594 -0.075 -9.530
86 HN2 NH2 15 2HN NH2 15 -0.652 -1.409 -8.426
Start of MODEL 13
1 H1 CYS 1 H CYS 1 2.106 -0.777 1.189
2 HA CYS 1 HA CYS 1 3.304 -0.844 -0.745
3 HB2 CYS 1 HB2 CYS 1 2.200 -1.332 -2.809
4 HB3 CYS 1 HB3 CYS 1 1.318 -2.177 -1.541
5 H CYS 2 H CYS 2 4.181 0.560 -2.313
6 HA CYS 2 HA CYS 2 3.109 3.302 -2.188
7 HB2 CYS 2 HB2 CYS 2 5.972 2.682 -2.843
8 HB3 CYS 2 HB3 CYS 2 5.281 4.163 -2.187
9 H ARG 3 H ARG 3 3.157 4.578 -4.067
10 HA ARG 3 HA ARG 3 3.019 3.018 -6.528
11 HB2 ARG 3 HB2 ARG 3 2.185 5.845 -5.869
12 HB3 ARG 3 HB3 ARG 3 2.057 5.140 -7.475
13 HG2 ARG 3 HG2 ARG 3 0.807 3.298 -5.825
14 HG3 ARG 3 HG3 ARG 3 0.311 4.867 -5.189
15 HD2 ARG 3 HD2 ARG 3 0.084 3.965 -8.058
16 HD3 ARG 3 HD3 ARG 3 -1.240 4.062 -6.898
17 HE ARG 3 HE ARG 3 0.134 6.552 -7.229
18 HH11 ARG 3 HH11 ARG 3 -2.323 4.472 -8.555
19 HH12 ARG 3 HH12 ARG 3 -3.180 5.763 -9.332
20 HH21 ARG 3 HH21 ARG 3 -0.985 8.259 -8.247
21 HH22 ARG 3 HH22 ARG 3 -2.418 7.916 -9.156
22 H LEU 4 H LEU 4 4.320 6.226 -5.653
23 HA LEU 4 HA LEU 4 6.285 5.988 -7.792
24 HB2 LEU 4 HB2 LEU 4 5.192 8.200 -6.144
25 HB3 LEU 4 HB3 LEU 4 6.832 8.378 -6.763
26 HG LEU 4 HG LEU 4 5.098 9.460 -8.170
27 HD11 LEU 4 HD11 LEU 4 6.757 9.186 -9.628
28 HD12 LEU 4 HD12 LEU 4 5.862 7.791 -10.229
29 HD13 LEU 4 HD13 LEU 4 7.130 7.572 -9.024
30 HD21 LEU 4 HD21 LEU 4 4.245 6.821 -9.213
31 HD22 LEU 4 HD22 LEU 4 3.369 8.350 -9.137
32 HD23 LEU 4 HD23 LEU 4 3.539 7.358 -7.688
33 H ALA 5 H ALA 5 6.116 6.241 -4.282
34 HA ALA 5 HA ALA 5 8.970 6.319 -3.943
35 HB1 ALA 5 HB1 ALA 5 6.687 6.746 -2.308
36 HB2 ALA 5 HB2 ALA 5 7.695 5.519 -1.541
37 HB3 ALA 5 HB3 ALA 5 8.380 7.091 -1.951
38 H CYS 6 H CYS 6 7.028 3.928 -4.976
39 HA CYS 6 HA CYS 6 7.609 1.689 -3.429
40 HB2 CYS 6 HB2 CYS 6 6.682 0.457 -5.124
41 HB3 CYS 6 HB3 CYS 6 6.095 2.052 -5.584
42 H GLY 7 H GLY 7 9.639 3.521 -5.519
43 HA2 GLY 7 HA2 GLY 7 11.572 1.434 -5.976
44 HA3 GLY 7 HA3 GLY 7 11.760 3.138 -6.365
45 H LEU 8 H LEU 8 10.883 3.498 -3.373
46 HA LEU 8 HA LEU 8 13.622 3.543 -2.387
47 HB2 LEU 8 HB2 LEU 8 11.099 4.574 -1.100
48 HB3 LEU 8 HB3 LEU 8 12.750 4.893 -0.572
49 HG LEU 8 HG LEU 8 11.674 5.783 -3.240
50 HD11 LEU 8 HD11 LEU 8 12.003 7.979 -1.518
51 HD12 LEU 8 HD12 LEU 8 11.046 6.788 -0.638
52 HD13 LEU 8 HD13 LEU 8 10.505 7.361 -2.215
53 HD21 LEU 8 HD21 LEU 8 14.213 6.079 -1.752
54 HD22 LEU 8 HD22 LEU 8 13.628 7.496 -2.623
55 HD23 LEU 8 HD23 LEU 8 13.917 5.986 -3.488
56 H GLY 9 H GLY 9 13.203 1.013 -2.522
57 HA2 GLY 9 HA2 GLY 9 13.214 -0.934 -1.305
58 HA3 GLY 9 HA3 GLY 9 13.303 0.069 0.135
59 H CYS 10 H CYS 10 10.679 0.305 -2.163
60 HA CYS 10 HA CYS 10 8.915 -1.093 -0.267
61 HB2 CYS 10 HB2 CYS 10 8.553 1.258 0.106
62 HB3 CYS 10 HB3 CYS 10 8.418 1.561 -1.623
63 H HIS 11 H HIS 11 8.974 -2.922 -1.624
64 HA HIS 11 HA HIS 11 7.263 -2.661 -3.991
65 HB2 HIS 11 HB2 HIS 11 8.904 -4.620 -4.848
66 HB3 HIS 11 HB3 HIS 11 9.151 -2.919 -5.232
67 HD1 HIS 11 HD1 HIS 11 11.264 -1.845 -4.397
68 HD2 HIS 11 HD2 HIS 11 10.602 -5.592 -2.729
69 HE1 HIS 11 HE1 HIS 11 13.371 -2.404 -3.142
70 HA HYP 12 HA HYP 12 7.123 -4.491 -5.705
71 HB2 HYP 12 HB2 HYP 12 4.656 -5.324 -6.474
72 HB3 HYP 12 HB3 HYP 12 6.040 -6.416 -6.339
73 HG HYP 12 HG HYP 12 3.801 -5.947 -4.408
74 HD22 HYP 12 HD2 HYP 12 5.157 -6.256 -2.571
75 HD23 HYP 12 HD3 HYP 12 6.338 -7.216 -3.484
76 HD1 HYP 12 HOD HYP 12 5.362 -7.917 -4.656
77 H CYS 13 H CYS 13 5.804 -3.050 -7.094
78 HA CYS 13 HA CYS 13 4.655 -0.916 -5.484
79 HB2 CYS 13 HB2 CYS 13 4.903 -0.768 -8.463
80 HB3 CYS 13 HB3 CYS 13 5.080 0.508 -7.264
81 H CYS 14 H CYS 14 2.557 0.058 -5.890
82 HA CYS 14 HA CYS 14 0.621 -1.851 -6.800
83 HB2 CYS 14 HB3 CYS 14 0.610 0.448 -5.132
84 HB3 CYS 14 HB2 CYS 14 -0.782 0.099 -5.911
85 HN1 NH2 15 1HN NH2 15 -0.424 -0.431 -9.763
86 HN2 NH2 15 2HN NH2 15 -0.460 -1.771 -8.666
Start of MODEL 14
1 H1 CYS 1 H CYS 1 0.234 -0.435 -0.314
2 HA CYS 1 HA CYS 1 2.960 -0.677 -1.230
3 HB2 CYS 1 HB2 CYS 1 2.028 -1.215 -3.365
4 HB3 CYS 1 HB3 CYS 1 1.036 -2.017 -2.153
5 H CYS 2 H CYS 2 3.978 0.677 -2.756
6 HA CYS 2 HA CYS 2 2.924 3.429 -2.795
7 HB2 CYS 2 HB2 CYS 2 5.826 2.772 -3.191
8 HB3 CYS 2 HB3 CYS 2 5.096 4.275 -2.636
9 H ARG 3 H ARG 3 3.140 4.652 -4.698
10 HA ARG 3 HA ARG 3 3.194 3.025 -7.119
11 HB2 ARG 3 HB2 ARG 3 2.075 5.677 -6.368
12 HB3 ARG 3 HB3 ARG 3 2.536 5.442 -8.049
13 HG2 ARG 3 HG2 ARG 3 0.362 4.779 -8.139
14 HG3 ARG 3 HG3 ARG 3 1.130 3.233 -7.773
15 HD2 ARG 3 HD2 ARG 3 -0.763 3.482 -6.334
16 HD3 ARG 3 HD3 ARG 3 0.694 3.667 -5.359
17 HE ARG 3 HE ARG 3 -0.220 6.190 -6.253
18 HH11 ARG 3 HH11 ARG 3 -0.957 3.659 -3.979
19 HH12 ARG 3 HH12 ARG 3 -1.737 4.720 -2.852
20 HH21 ARG 3 HH21 ARG 3 -1.244 7.596 -4.778
21 HH22 ARG 3 HH22 ARG 3 -1.900 6.959 -3.308
22 H LEU 4 H LEU 4 4.446 6.248 -6.224
23 HA LEU 4 HA LEU 4 6.581 5.938 -8.185
24 HB2 LEU 4 HB2 LEU 4 5.384 8.204 -6.684
25 HB3 LEU 4 HB3 LEU 4 7.065 8.351 -7.192
26 HG LEU 4 HG LEU 4 5.481 9.412 -8.757
27 HD11 LEU 4 HD11 LEU 4 6.643 7.062 -10.183
28 HD12 LEU 4 HD12 LEU 4 7.708 8.215 -9.381
29 HD13 LEU 4 HD13 LEU 4 6.615 8.762 -10.652
30 HD21 LEU 4 HD21 LEU 4 4.042 8.010 -10.148
31 HD22 LEU 4 HD22 LEU 4 3.593 7.899 -8.446
32 HD23 LEU 4 HD23 LEU 4 4.504 6.593 -9.205
33 H ALA 5 H ALA 5 6.121 6.289 -4.709
34 HA ALA 5 HA ALA 5 8.938 6.357 -4.135
35 HB1 ALA 5 HB1 ALA 5 6.530 6.845 -2.709
36 HB2 ALA 5 HB2 ALA 5 7.459 5.632 -1.827
37 HB3 ALA 5 HB3 ALA 5 8.190 7.188 -2.220
38 H CYS 6 H CYS 6 7.067 3.951 -5.262
39 HA CYS 6 HA CYS 6 7.497 1.753 -3.611
40 HB2 CYS 6 HB2 CYS 6 6.704 0.480 -5.344
41 HB3 CYS 6 HB3 CYS 6 6.172 2.066 -5.894
42 H GLY 7 H GLY 7 9.711 3.512 -5.572
43 HA2 GLY 7 HA2 GLY 7 11.657 1.401 -5.809
44 HA3 GLY 7 HA3 GLY 7 11.892 3.092 -6.227
45 H LEU 8 H LEU 8 10.771 3.541 -3.330
46 HA LEU 8 HA LEU 8 13.418 3.595 -2.119
47 HB2 LEU 8 HB2 LEU 8 10.773 4.827 -1.426
48 HB3 LEU 8 HB3 LEU 8 12.108 4.815 -0.275
49 HG LEU 8 HG LEU 8 12.689 5.901 -2.967
50 HD11 LEU 8 HD11 LEU 8 11.761 8.115 -2.274
51 HD12 LEU 8 HD12 LEU 8 10.896 7.284 -0.983
52 HD13 LEU 8 HD13 LEU 8 10.546 6.899 -2.667
53 HD21 LEU 8 HD21 LEU 8 14.361 6.937 -1.885
54 HD22 LEU 8 HD22 LEU 8 14.032 5.762 -0.612
55 HD23 LEU 8 HD23 LEU 8 13.339 7.382 -0.518
56 H GLY 9 H GLY 9 12.989 1.065 -2.221
57 HA2 GLY 9 HA2 GLY 9 12.881 -0.848 -0.955
58 HA3 GLY 9 HA3 GLY 9 12.858 0.194 0.460
59 H CYS 10 H CYS 10 10.438 0.383 -2.055
60 HA CYS 10 HA CYS 10 8.509 -0.950 -0.277
61 HB2 CYS 10 HB2 CYS 10 8.138 1.413 0.001
62 HB3 CYS 10 HB3 CYS 10 8.151 1.669 -1.741
63 H HIS 11 H HIS 11 8.665 -2.816 -1.574
64 HA HIS 11 HA HIS 11 7.161 -2.609 -4.083
65 HB2 HIS 11 HB2 HIS 11 8.850 -4.602 -4.746
66 HB3 HIS 11 HB3 HIS 11 9.143 -2.914 -5.154
67 HD1 HIS 11 HD1 HIS 11 11.190 -1.832 -4.175
68 HD2 HIS 11 HD2 HIS 11 10.356 -5.525 -2.465
69 HE1 HIS 11 HE1 HIS 11 13.179 -2.370 -2.733
70 HA HYP 12 HA HYP 12 7.148 -4.485 -5.752
71 HB2 HYP 12 HB2 HYP 12 4.747 -5.323 -6.702
72 HB3 HYP 12 HB3 HYP 12 6.105 -6.420 -6.422
73 HG HYP 12 HG HYP 12 3.716 -5.883 -4.699
74 HD22 HYP 12 HD2 HYP 12 4.912 -6.150 -2.747
75 HD23 HYP 12 HD3 HYP 12 6.156 -7.143 -3.532
76 HD1 HYP 12 HOD HYP 12 5.276 -7.869 -4.762
77 H CYS 13 H CYS 13 5.963 -3.074 -7.285
78 HA CYS 13 HA CYS 13 4.702 -0.889 -5.836
79 HB2 CYS 13 HB2 CYS 13 5.199 -0.825 -8.786
80 HB3 CYS 13 HB3 CYS 13 5.287 0.483 -7.610
81 H CYS 14 H CYS 14 2.654 0.086 -6.441
82 HA CYS 14 HA CYS 14 0.784 -1.834 -7.458
83 HB2 CYS 14 HB3 CYS 14 0.654 0.511 -5.861
84 HB3 CYS 14 HB2 CYS 14 -0.671 0.149 -6.744
85 HN1 NH2 15 1HN NH2 15 0.003 -0.491 -10.537
86 HN2 NH2 15 2HN NH2 15 -0.137 -1.799 -9.410
Start of MODEL 15
1 H1 CYS 1 H CYS 1 0.752 -0.370 0.783
2 HA CYS 1 HA CYS 1 3.332 -0.671 -0.497
3 HB2 CYS 1 HB2 CYS 1 2.112 -1.120 -2.504
4 HB3 CYS 1 HB3 CYS 1 1.276 -1.949 -1.195
5 H CYS 2 H CYS 2 4.163 0.719 -2.103
6 HA CYS 2 HA CYS 2 3.169 3.486 -1.911
7 HB2 CYS 2 HB2 CYS 2 5.978 2.798 -2.715
8 HB3 CYS 2 HB3 CYS 2 5.359 4.292 -2.018
9 H ARG 3 H ARG 3 3.153 4.771 -3.785
10 HA ARG 3 HA ARG 3 2.848 3.229 -6.242
11 HB2 ARG 3 HB2 ARG 3 1.923 5.899 -5.287
12 HB3 ARG 3 HB3 ARG 3 2.097 5.651 -7.019
13 HG2 ARG 3 HG2 ARG 3 0.712 3.414 -6.007
14 HG3 ARG 3 HG3 ARG 3 -0.023 4.852 -5.294
15 HD2 ARG 3 HD2 ARG 3 -1.137 4.332 -7.367
16 HD3 ARG 3 HD3 ARG 3 -0.221 5.827 -7.556
17 HE ARG 3 HE ARG 3 1.368 3.666 -8.387
18 HH11 ARG 3 HH11 ARG 3 -1.470 5.436 -9.353
19 HH12 ARG 3 HH12 ARG 3 -1.250 5.123 -11.042
20 HH21 ARG 3 HH21 ARG 3 1.669 3.247 -10.609
21 HH22 ARG 3 HH22 ARG 3 0.535 3.876 -11.756
22 H LEU 4 H LEU 4 4.273 6.398 -5.421
23 HA LEU 4 HA LEU 4 6.119 6.123 -7.660
24 HB2 LEU 4 HB2 LEU 4 5.188 8.355 -5.934
25 HB3 LEU 4 HB3 LEU 4 6.782 8.492 -6.673
26 HG LEU 4 HG LEU 4 5.084 9.640 -7.993
27 HD11 LEU 4 HD11 LEU 4 5.522 7.468 -9.850
28 HD12 LEU 4 HD12 LEU 4 6.974 7.833 -8.918
29 HD13 LEU 4 HD13 LEU 4 6.182 9.104 -9.849
30 HD21 LEU 4 HD21 LEU 4 3.169 8.239 -7.341
31 HD22 LEU 4 HD22 LEU 4 3.815 6.923 -8.321
32 HD23 LEU 4 HD23 LEU 4 3.298 8.424 -9.090
33 H ALA 5 H ALA 5 6.137 6.361 -4.145
34 HA ALA 5 HA ALA 5 9.006 6.365 -3.953
35 HB1 ALA 5 HB1 ALA 5 6.822 6.841 -2.201
36 HB2 ALA 5 HB2 ALA 5 7.837 5.584 -1.492
37 HB3 ALA 5 HB3 ALA 5 8.539 7.142 -1.931
38 H CYS 6 H CYS 6 6.953 4.029 -4.895
39 HA CYS 6 HA CYS 6 7.556 1.769 -3.388
40 HB2 CYS 6 HB2 CYS 6 6.513 0.569 -5.039
41 HB3 CYS 6 HB3 CYS 6 5.944 2.181 -5.461
42 H GLY 7 H GLY 7 9.522 3.560 -5.573
43 HA2 GLY 7 HA2 GLY 7 11.376 1.428 -6.138
44 HA3 GLY 7 HA3 GLY 7 11.587 3.128 -6.529
45 H LEU 8 H LEU 8 10.874 3.495 -3.494
46 HA LEU 8 HA LEU 8 13.660 3.465 -2.650
47 HB2 LEU 8 HB2 LEU 8 11.165 4.666 -1.475
48 HB3 LEU 8 HB3 LEU 8 12.720 4.689 -0.646
49 HG LEU 8 HG LEU 8 12.336 5.891 -3.377
50 HD11 LEU 8 HD11 LEU 8 10.815 6.823 -1.503
51 HD12 LEU 8 HD12 LEU 8 11.765 7.945 -2.477
52 HD13 LEU 8 HD13 LEU 8 12.309 7.504 -0.859
53 HD21 LEU 8 HD21 LEU 8 14.485 5.781 -1.344
54 HD22 LEU 8 HD22 LEU 8 14.272 7.306 -2.205
55 HD23 LEU 8 HD23 LEU 8 14.586 5.821 -3.105
56 H GLY 9 H GLY 9 13.171 0.948 -2.774
57 HA2 GLY 9 HA2 GLY 9 13.195 -1.006 -1.567
58 HA3 GLY 9 HA3 GLY 9 13.383 -0.013 -0.129
59 H CYS 10 H CYS 10 10.651 0.301 -2.288
60 HA CYS 10 HA CYS 10 8.952 -1.063 -0.310
61 HB2 CYS 10 HB2 CYS 10 8.670 1.295 0.091
62 HB3 CYS 10 HB3 CYS 10 8.453 1.610 -1.628
63 H HIS 11 H HIS 11 8.895 -2.886 -1.676
64 HA HIS 11 HA HIS 11 7.072 -2.568 -3.951
65 HB2 HIS 11 HB2 HIS 11 8.617 -4.563 -4.899
66 HB3 HIS 11 HB3 HIS 11 8.886 -2.867 -5.288
67 HD1 HIS 11 HD1 HIS 11 11.067 -1.851 -4.558
68 HD2 HIS 11 HD2 HIS 11 10.396 -5.589 -2.874
69 HE1 HIS 11 HE1 HIS 11 13.220 -2.470 -3.416
70 HA HYP 12 HA HYP 12 6.798 -4.385 -5.662
71 HB2 HYP 12 HB2 HYP 12 4.275 -5.152 -6.307
72 HB3 HYP 12 HB3 HYP 12 5.635 -6.279 -6.247
73 HG HYP 12 HG HYP 12 3.511 -5.765 -4.202
74 HD22 HYP 12 HD2 HYP 12 4.951 -6.117 -2.439
75 HD23 HYP 12 HD3 HYP 12 6.059 -7.102 -3.416
76 HD1 HYP 12 HOD HYP 12 5.007 -7.771 -4.538
77 H CYS 13 H CYS 13 5.446 -2.904 -6.975
78 HA CYS 13 HA CYS 13 4.436 -0.750 -5.300
79 HB2 CYS 13 HB2 CYS 13 4.534 -0.593 -8.287
80 HB3 CYS 13 HB3 CYS 13 4.805 0.672 -7.093
81 H CYS 14 H CYS 14 2.345 0.278 -5.593
82 HA CYS 14 HA CYS 14 0.317 -1.577 -6.411
83 HB2 CYS 14 HB3 CYS 14 0.450 0.713 -4.734
84 HB3 CYS 14 HB2 CYS 14 -0.989 0.403 -5.442
85 HN1 NH2 15 1HN NH2 15 -0.842 -0.114 -9.310
86 HN2 NH2 15 2HN NH2 15 -0.856 -1.459 -8.218
Start of MODEL 16
1 H1 CYS 1 H CYS 1 0.230 -0.498 -0.324
2 HA CYS 1 HA CYS 1 2.937 -0.661 -1.247
3 HB2 CYS 1 HB2 CYS 1 2.007 -1.196 -3.384
4 HB3 CYS 1 HB3 CYS 1 1.011 -1.997 -2.173
5 H CYS 2 H CYS 2 3.960 0.691 -2.772
6 HA CYS 2 HA CYS 2 2.912 3.445 -2.813
7 HB2 CYS 2 HB2 CYS 2 5.814 2.781 -3.205
8 HB3 CYS 2 HB3 CYS 2 5.087 4.286 -2.651
9 H ARG 3 H ARG 3 3.135 4.668 -4.715
10 HA ARG 3 HA ARG 3 3.188 3.041 -7.136
11 HB2 ARG 3 HB2 ARG 3 2.085 5.705 -6.393
12 HB3 ARG 3 HB3 ARG 3 2.531 5.448 -8.075
13 HG2 ARG 3 HG2 ARG 3 0.319 4.840 -8.082
14 HG3 ARG 3 HG3 ARG 3 1.110 3.281 -7.837
15 HD2 ARG 3 HD2 ARG 3 -0.748 3.480 -6.315
16 HD3 ARG 3 HD3 ARG 3 0.760 3.531 -5.403
17 HE ARG 3 HE ARG 3 -0.226 6.132 -6.091
18 HH11 ARG 3 HH11 ARG 3 -0.466 3.514 -3.809
19 HH12 ARG 3 HH12 ARG 3 -1.033 4.519 -2.517
20 HH21 ARG 3 HH21 ARG 3 -0.972 7.466 -4.397
21 HH22 ARG 3 HH22 ARG 3 -1.322 6.766 -2.853
22 H LEU 4 H LEU 4 4.446 6.261 -6.240
23 HA LEU 4 HA LEU 4 6.583 5.945 -8.197
24 HB2 LEU 4 HB2 LEU 4 5.376 8.211 -6.711
25 HB3 LEU 4 HB3 LEU 4 7.067 8.358 -7.186
26 HG LEU 4 HG LEU 4 5.571 9.432 -8.794
27 HD11 LEU 4 HD11 LEU 4 6.401 7.204 -10.461
28 HD12 LEU 4 HD12 LEU 4 7.660 7.719 -9.340
29 HD13 LEU 4 HD13 LEU 4 6.945 8.882 -10.457
30 HD21 LEU 4 HD21 LEU 4 4.095 8.031 -10.194
31 HD22 LEU 4 HD22 LEU 4 3.589 8.084 -8.505
32 HD23 LEU 4 HD23 LEU 4 4.425 6.662 -9.132
33 H ALA 5 H ALA 5 6.120 6.297 -4.723
34 HA ALA 5 HA ALA 5 8.936 6.358 -4.144
35 HB1 ALA 5 HB1 ALA 5 6.527 6.852 -2.722
36 HB2 ALA 5 HB2 ALA 5 7.453 5.638 -1.838
37 HB3 ALA 5 HB3 ALA 5 8.187 7.192 -2.232
38 H CYS 6 H CYS 6 7.060 3.957 -5.274
39 HA CYS 6 HA CYS 6 7.483 1.758 -3.622
40 HB2 CYS 6 HB2 CYS 6 6.689 0.487 -5.357
41 HB3 CYS 6 HB3 CYS 6 6.162 2.074 -5.908
42 H GLY 7 H GLY 7 9.703 3.512 -5.581
43 HA2 GLY 7 HA2 GLY 7 11.644 1.396 -5.816
44 HA3 GLY 7 HA3 GLY 7 11.885 3.086 -6.234
45 H LEU 8 H LEU 8 10.761 3.538 -3.337
46 HA LEU 8 HA LEU 8 13.406 3.585 -2.124
47 HB2 LEU 8 HB2 LEU 8 10.776 4.864 -1.511
48 HB3 LEU 8 HB3 LEU 8 12.020 4.771 -0.266
49 HG LEU 8 HG LEU 8 13.232 5.828 -2.597
50 HD11 LEU 8 HD11 LEU 8 11.836 7.932 -2.748
51 HD12 LEU 8 HD12 LEU 8 10.552 7.024 -1.951
52 HD13 LEU 8 HD13 LEU 8 11.166 6.492 -3.516
53 HD21 LEU 8 HD21 LEU 8 13.791 7.622 -1.171
54 HD22 LEU 8 HD22 LEU 8 13.724 6.193 -0.139
55 HD23 LEU 8 HD23 LEU 8 12.386 7.343 -0.142
56 H GLY 9 H GLY 9 12.971 1.057 -2.226
57 HA2 GLY 9 HA2 GLY 9 12.857 -0.856 -0.960
58 HA3 GLY 9 HA3 GLY 9 12.835 0.186 0.455
59 H CYS 10 H CYS 10 10.418 0.381 -2.063
60 HA CYS 10 HA CYS 10 8.484 -0.947 -0.287
61 HB2 CYS 10 HB2 CYS 10 8.119 1.417 -0.010
62 HB3 CYS 10 HB3 CYS 10 8.134 1.673 -1.752
63 H HIS 11 H HIS 11 8.637 -2.814 -1.584
64 HA HIS 11 HA HIS 11 7.136 -2.603 -4.095
65 HB2 HIS 11 HB2 HIS 11 8.821 -4.600 -4.755
66 HB3 HIS 11 HB3 HIS 11 9.119 -2.913 -5.163
67 HD1 HIS 11 HD1 HIS 11 11.167 -1.836 -4.182
68 HD2 HIS 11 HD2 HIS 11 10.321 -5.527 -2.472
69 HE1 HIS 11 HE1 HIS 11 13.153 -2.379 -2.738
70 HA HYP 12 HA HYP 12 7.121 -4.479 -5.764
71 HB2 HYP 12 HB2 HYP 12 4.719 -5.311 -6.717
72 HB3 HYP 12 HB3 HYP 12 6.074 -6.411 -6.435
73 HG HYP 12 HG HYP 12 3.684 -5.868 -4.715
74 HD22 HYP 12 HD2 HYP 12 4.876 -6.138 -2.762
75 HD23 HYP 12 HD3 HYP 12 6.119 -7.134 -3.546
76 HD1 HYP 12 HOD HYP 12 5.239 -7.858 -4.776
77 H CYS 13 H CYS 13 5.941 -3.065 -7.298
78 HA CYS 13 HA CYS 13 4.684 -0.877 -5.851
79 HB2 CYS 13 HB2 CYS 13 5.185 -0.815 -8.800
80 HB3 CYS 13 HB3 CYS 13 5.274 0.493 -7.625
81 H CYS 14 H CYS 14 2.639 0.104 -6.460
82 HA CYS 14 HA CYS 14 0.766 -1.812 -7.479
83 HB2 CYS 14 HB3 CYS 14 0.639 0.534 -5.880
84 HB3 CYS 14 HB2 CYS 14 -0.685 0.175 -6.765
85 HN1 NH2 15 1HN NH2 15 -0.008 -0.465 -10.558
86 HN2 NH2 15 2HN NH2 15 -0.153 -1.773 -9.432
Start of MODEL 17
1 H1 CYS 1 H CYS 1 0.520 -0.087 0.208
2 HA CYS 1 HA CYS 1 3.187 -0.542 -0.869
3 HB2 CYS 1 HB2 CYS 1 2.111 -1.020 -2.950
4 HB3 CYS 1 HB3 CYS 1 1.169 -1.808 -1.689
5 H CYS 2 H CYS 2 4.154 0.801 -2.438
6 HA CYS 2 HA CYS 2 3.188 3.585 -2.379
7 HB2 CYS 2 HB2 CYS 2 6.039 2.843 -2.959
8 HB3 CYS 2 HB3 CYS 2 5.392 4.360 -2.341
9 H ARG 3 H ARG 3 3.329 4.828 -4.276
10 HA ARG 3 HA ARG 3 3.184 3.235 -6.715
11 HB2 ARG 3 HB2 ARG 3 2.395 6.068 -6.051
12 HB3 ARG 3 HB3 ARG 3 2.383 5.448 -7.696
13 HG2 ARG 3 HG2 ARG 3 0.972 3.546 -6.281
14 HG3 ARG 3 HG3 ARG 3 0.470 5.073 -5.552
15 HD2 ARG 3 HD2 ARG 3 -0.370 5.897 -7.562
16 HD3 ARG 3 HD3 ARG 3 0.561 4.753 -8.528
17 HE ARG 3 HE ARG 3 -1.120 3.219 -8.273
18 HH11 ARG 3 HH11 ARG 3 -1.552 5.789 -5.965
19 HH12 ARG 3 HH12 ARG 3 -3.115 5.244 -5.454
20 HH21 ARG 3 HH21 ARG 3 -3.177 2.491 -7.609
21 HH22 ARG 3 HH22 ARG 3 -4.038 3.367 -6.389
22 H LEU 4 H LEU 4 4.590 6.403 -5.859
23 HA LEU 4 HA LEU 4 6.592 6.054 -7.950
24 HB2 LEU 4 HB2 LEU 4 5.550 8.333 -6.360
25 HB3 LEU 4 HB3 LEU 4 7.209 8.438 -6.944
26 HG LEU 4 HG LEU 4 5.688 9.579 -8.452
27 HD11 LEU 4 HD11 LEU 4 6.759 8.886 -10.305
28 HD12 LEU 4 HD12 LEU 4 6.297 7.200 -10.072
29 HD13 LEU 4 HD13 LEU 4 7.653 7.875 -9.169
30 HD21 LEU 4 HD21 LEU 4 4.315 6.902 -8.624
31 HD22 LEU 4 HD22 LEU 4 4.035 8.232 -9.749
32 HD23 LEU 4 HD23 LEU 4 3.636 8.422 -8.041
33 H ALA 5 H ALA 5 6.355 6.371 -4.449
34 HA ALA 5 HA ALA 5 9.201 6.342 -4.046
35 HB1 ALA 5 HB1 ALA 5 6.901 6.884 -2.470
36 HB2 ALA 5 HB2 ALA 5 7.844 5.631 -1.661
37 HB3 ALA 5 HB3 ALA 5 8.598 7.170 -2.080
38 H CYS 6 H CYS 6 7.190 4.012 -5.086
39 HA CYS 6 HA CYS 6 7.648 1.778 -3.491
40 HB2 CYS 6 HB2 CYS 6 6.711 0.556 -5.189
41 HB3 CYS 6 HB3 CYS 6 6.198 2.165 -5.686
42 H GLY 7 H GLY 7 9.794 3.495 -5.563
43 HA2 GLY 7 HA2 GLY 7 11.653 1.327 -5.944
44 HA3 GLY 7 HA3 GLY 7 11.917 3.016 -6.355
45 H LEU 8 H LEU 8 10.989 3.459 -3.389
46 HA LEU 8 HA LEU 8 13.704 3.412 -2.341
47 HB2 LEU 8 HB2 LEU 8 11.151 4.741 -1.518
48 HB3 LEU 8 HB3 LEU 8 12.504 4.626 -0.394
49 HG LEU 8 HG LEU 8 13.802 5.715 -2.441
50 HD11 LEU 8 HD11 LEU 8 12.411 7.345 -3.592
51 HD12 LEU 8 HD12 LEU 8 10.978 6.715 -2.781
52 HD13 LEU 8 HD13 LEU 8 11.859 5.703 -3.926
53 HD21 LEU 8 HD21 LEU 8 13.345 7.921 -1.410
54 HD22 LEU 8 HD22 LEU 8 13.726 6.665 -0.232
55 HD23 LEU 8 HD23 LEU 8 12.054 7.177 -0.467
56 H GLY 9 H GLY 9 13.189 0.899 -2.447
57 HA2 GLY 9 HA2 GLY 9 13.096 -1.027 -1.201
58 HA3 GLY 9 HA3 GLY 9 13.192 -0.005 0.226
59 H CYS 10 H CYS 10 10.632 0.295 -2.135
60 HA CYS 10 HA CYS 10 8.772 -1.002 -0.259
61 HB2 CYS 10 HB2 CYS 10 8.495 1.368 0.070
62 HB3 CYS 10 HB3 CYS 10 8.410 1.648 -1.667
63 H HIS 11 H HIS 11 8.789 -2.853 -1.586
64 HA HIS 11 HA HIS 11 7.143 -2.563 -3.996
65 HB2 HIS 11 HB2 HIS 11 8.724 -4.599 -4.784
66 HB3 HIS 11 HB3 HIS 11 9.046 -2.915 -5.189
67 HD1 HIS 11 HD1 HIS 11 11.181 -1.911 -4.320
68 HD2 HIS 11 HD2 HIS 11 10.336 -5.603 -2.613
69 HE1 HIS 11 HE1 HIS 11 13.236 -2.532 -3.010
70 HA HYP 12 HA HYP 12 6.969 -4.415 -5.683
71 HB2 HYP 12 HB2 HYP 12 4.489 -5.163 -6.496
72 HB3 HYP 12 HB3 HYP 12 5.825 -6.306 -6.312
73 HG HYP 12 HG HYP 12 3.564 -5.719 -4.441
74 HD22 HYP 12 HD2 HYP 12 4.866 -6.050 -2.569
75 HD23 HYP 12 HD3 HYP 12 6.028 -7.071 -3.440
76 HD1 HYP 12 HOD HYP 12 5.052 -7.752 -4.622
77 H CYS 13 H CYS 13 5.740 -2.946 -7.124
78 HA CYS 13 HA CYS 13 4.639 -0.743 -5.574
79 HB2 CYS 13 HB2 CYS 13 4.959 -0.653 -8.548
80 HB3 CYS 13 HB3 CYS 13 5.160 0.635 -7.365
81 H CYS 14 H CYS 14 2.591 0.305 -6.043
82 HA CYS 14 HA CYS 14 0.602 -1.541 -6.968
83 HB2 CYS 14 HB3 CYS 14 0.645 0.784 -5.335
84 HB3 CYS 14 HB2 CYS 14 -0.742 0.476 -6.140
85 HN1 NH2 15 1HN NH2 15 -0.320 -0.129 -9.975
86 HN2 NH2 15 2HN NH2 15 -0.433 -1.448 -8.859
Start of MODEL 18
1 H1 CYS 1 H CYS 1 1.175 0.344 0.779
2 HA CYS 1 HA CYS 1 3.300 -0.840 -0.704
3 HB2 CYS 1 HB2 CYS 1 2.185 -1.326 -2.763
4 HB3 CYS 1 HB3 CYS 1 1.310 -2.171 -1.489
5 H CYS 2 H CYS 2 4.169 0.565 -2.276
6 HA CYS 2 HA CYS 2 3.099 3.307 -2.143
7 HB2 CYS 2 HB2 CYS 2 5.958 2.687 -2.815
8 HB3 CYS 2 HB3 CYS 2 5.271 4.168 -2.153
9 H ARG 3 H ARG 3 3.136 4.585 -4.021
10 HA ARG 3 HA ARG 3 2.983 3.027 -6.483
11 HB2 ARG 3 HB2 ARG 3 1.926 5.653 -5.564
12 HB3 ARG 3 HB3 ARG 3 2.225 5.455 -7.286
13 HG2 ARG 3 HG2 ARG 3 0.787 3.207 -6.139
14 HG3 ARG 3 HG3 ARG 3 -0.062 4.742 -5.938
15 HD2 ARG 3 HD2 ARG 3 1.007 3.658 -8.542
16 HD3 ARG 3 HD3 ARG 3 -0.678 3.598 -8.026
17 HE ARG 3 HE ARG 3 0.724 5.860 -9.103
18 HH11 ARG 3 HH11 ARG 3 -1.934 4.835 -7.101
19 HH12 ARG 3 HH12 ARG 3 -2.843 6.291 -7.338
20 HH21 ARG 3 HH21 ARG 3 -0.464 7.780 -9.423
21 HH22 ARG 3 HH22 ARG 3 -2.007 7.965 -8.660
22 H LEU 4 H LEU 4 4.289 6.234 -5.612
23 HA LEU 4 HA LEU 4 6.243 5.998 -7.763
24 HB2 LEU 4 HB2 LEU 4 5.156 8.208 -6.109
25 HB3 LEU 4 HB3 LEU 4 6.795 8.387 -6.731
26 HG LEU 4 HG LEU 4 5.122 9.484 -8.155
27 HD11 LEU 4 HD11 LEU 4 5.848 7.416 -10.021
28 HD12 LEU 4 HD12 LEU 4 7.190 7.784 -8.938
29 HD13 LEU 4 HD13 LEU 4 6.445 9.070 -9.887
30 HD21 LEU 4 HD21 LEU 4 3.544 8.147 -9.445
31 HD22 LEU 4 HD22 LEU 4 3.244 7.981 -7.715
32 HD23 LEU 4 HD23 LEU 4 4.066 6.692 -8.595
33 H ALA 5 H ALA 5 6.093 6.248 -4.252
34 HA ALA 5 HA ALA 5 8.950 6.325 -3.929
35 HB1 ALA 5 HB1 ALA 5 6.676 6.751 -2.281
36 HB2 ALA 5 HB2 ALA 5 7.689 5.523 -1.520
37 HB3 ALA 5 HB3 ALA 5 8.371 7.096 -1.933
38 H CYS 6 H CYS 6 7.001 3.935 -4.953
39 HA CYS 6 HA CYS 6 7.591 1.695 -3.411
40 HB2 CYS 6 HB2 CYS 6 6.654 0.464 -5.102
41 HB3 CYS 6 HB3 CYS 6 6.065 2.060 -5.557
42 H GLY 7 H GLY 7 9.609 3.528 -5.511
43 HA2 GLY 7 HA2 GLY 7 11.539 1.442 -5.981
44 HA3 GLY 7 HA3 GLY 7 11.726 3.146 -6.370
45 H LEU 8 H LEU 8 10.866 3.504 -3.372
46 HA LEU 8 HA LEU 8 13.610 3.547 -2.402
47 HB2 LEU 8 HB2 LEU 8 11.122 4.554 -1.037
48 HB3 LEU 8 HB3 LEU 8 12.792 4.934 -0.624
49 HG LEU 8 HG LEU 8 11.468 5.749 -3.207
50 HD11 LEU 8 HD11 LEU 8 12.090 7.764 -1.149
51 HD12 LEU 8 HD12 LEU 8 10.719 6.708 -0.808
52 HD13 LEU 8 HD13 LEU 8 10.743 7.673 -2.284
53 HD21 LEU 8 HD21 LEU 8 13.670 7.364 -2.342
54 HD22 LEU 8 HD22 LEU 8 13.479 6.445 -3.835
55 HD23 LEU 8 HD23 LEU 8 14.159 5.670 -2.403
56 H GLY 9 H GLY 9 13.190 1.018 -2.537
57 HA2 GLY 9 HA2 GLY 9 13.208 -0.931 -1.322
58 HA3 GLY 9 HA3 GLY 9 13.305 0.071 0.119
59 H CYS 10 H CYS 10 10.668 0.309 -2.164
60 HA CYS 10 HA CYS 10 8.915 -1.091 -0.259
61 HB2 CYS 10 HB2 CYS 10 8.555 1.261 0.118
62 HB3 CYS 10 HB3 CYS 10 8.410 1.565 -1.610
63 H HIS 11 H HIS 11 8.966 -2.918 -1.618
64 HA HIS 11 HA HIS 11 7.241 -2.655 -3.975
65 HB2 HIS 11 HB2 HIS 11 8.877 -4.613 -4.843
66 HB3 HIS 11 HB3 HIS 11 9.122 -2.911 -5.227
67 HD1 HIS 11 HD1 HIS 11 11.241 -1.839 -4.405
68 HD2 HIS 11 HD2 HIS 11 10.587 -5.587 -2.734
69 HE1 HIS 11 HE1 HIS 11 13.355 -2.400 -3.163
70 HA HYP 12 HA HYP 12 7.091 -4.484 -5.689
71 HB2 HYP 12 HB2 HYP 12 4.620 -5.316 -6.445
72 HB3 HYP 12 HB3 HYP 12 6.005 -6.408 -6.319
73 HG HYP 12 HG HYP 12 3.777 -5.941 -4.375
74 HD22 HYP 12 HD2 HYP 12 5.144 -6.251 -2.546
75 HD23 HYP 12 HD3 HYP 12 6.319 -7.211 -3.467
76 HD1 HYP 12 HOD HYP 12 5.337 -7.910 -4.633
77 H CYS 13 H CYS 13 5.765 -3.041 -7.069
78 HA CYS 13 HA CYS 13 4.624 -0.909 -5.451
79 HB2 CYS 13 HB2 CYS 13 4.855 -0.758 -8.431
80 HB3 CYS 13 HB3 CYS 13 5.039 0.518 -7.231
81 H CYS 14 H CYS 14 2.524 0.065 -5.844
82 HA CYS 14 HA CYS 14 0.583 -1.843 -6.744
83 HB2 CYS 14 HB3 CYS 14 0.581 0.456 -5.075
84 HB3 CYS 14 HB2 CYS 14 -0.815 0.107 -5.847
85 HN1 NH2 15 1HN NH2 15 -0.478 -0.422 -9.701
86 HN2 NH2 15 2HN NH2 15 -0.509 -1.762 -8.604
Start of MODEL 19
1 H1 CYS 1 H CYS 1 1.030 -0.675 0.512
2 HA CYS 1 HA CYS 1 3.136 -0.380 -0.888
3 HB2 CYS 1 HB2 CYS 1 2.063 -0.876 -2.966
4 HB3 CYS 1 HB3 CYS 1 1.094 -1.616 -1.695
5 H CYS 2 H CYS 2 4.145 0.907 -2.478
6 HA CYS 2 HA CYS 2 3.244 3.713 -2.483
7 HB2 CYS 2 HB2 CYS 2 6.080 2.892 -3.029
8 HB3 CYS 2 HB3 CYS 2 5.466 4.436 -2.447
9 H ARG 3 H ARG 3 3.426 4.912 -4.405
10 HA ARG 3 HA ARG 3 3.259 3.272 -6.811
11 HB2 ARG 3 HB2 ARG 3 2.739 6.235 -6.544
12 HB3 ARG 3 HB3 ARG 3 2.249 5.180 -7.863
13 HG2 ARG 3 HG2 ARG 3 1.189 4.124 -5.452
14 HG3 ARG 3 HG3 ARG 3 0.824 5.849 -5.513
15 HD2 ARG 3 HD2 ARG 3 -0.380 5.651 -7.493
16 HD3 ARG 3 HD3 ARG 3 0.371 4.110 -7.907
17 HE ARG 3 HE ARG 3 -1.188 3.965 -5.514
18 HH11 ARG 3 HH11 ARG 3 -1.339 3.903 -8.992
19 HH12 ARG 3 HH12 ARG 3 -2.806 2.983 -9.042
20 HH21 ARG 3 HH21 ARG 3 -3.120 2.754 -5.567
21 HH22 ARG 3 HH22 ARG 3 -3.819 2.331 -7.093
22 H LEU 4 H LEU 4 4.733 6.424 -6.012
23 HA LEU 4 HA LEU 4 6.739 5.985 -8.081
24 HB2 LEU 4 HB2 LEU 4 6.448 8.398 -6.311
25 HB3 LEU 4 HB3 LEU 4 7.288 8.282 -7.856
26 HG LEU 4 HG LEU 4 4.309 8.254 -7.395
27 HD11 LEU 4 HD11 LEU 4 5.469 10.448 -7.289
28 HD12 LEU 4 HD12 LEU 4 4.310 10.318 -8.611
29 HD13 LEU 4 HD13 LEU 4 6.038 10.180 -8.936
30 HD21 LEU 4 HD21 LEU 4 4.073 8.062 -9.801
31 HD22 LEU 4 HD22 LEU 4 4.946 6.668 -9.162
32 HD23 LEU 4 HD23 LEU 4 5.824 7.958 -9.987
33 H ALA 5 H ALA 5 6.488 6.380 -4.589
34 HA ALA 5 HA ALA 5 9.331 6.293 -4.167
35 HB1 ALA 5 HB1 ALA 5 7.941 5.663 -1.777
36 HB2 ALA 5 HB2 ALA 5 8.735 7.175 -2.222
37 HB3 ALA 5 HB3 ALA 5 7.035 6.922 -2.617
38 H CYS 6 H CYS 6 7.271 3.990 -5.172
39 HA CYS 6 HA CYS 6 7.667 1.779 -3.528
40 HB2 CYS 6 HB2 CYS 6 6.712 0.544 -5.207
41 HB3 CYS 6 HB3 CYS 6 6.240 2.154 -5.740
42 H GLY 7 H GLY 7 9.866 3.402 -5.620
43 HA2 GLY 7 HA2 GLY 7 11.676 1.185 -5.944
44 HA3 GLY 7 HA3 GLY 7 11.982 2.857 -6.388
45 H LEU 8 H LEU 8 11.046 3.383 -3.438
46 HA LEU 8 HA LEU 8 13.753 3.295 -2.372
47 HB2 LEU 8 HB2 LEU 8 11.220 4.645 -1.481
48 HB3 LEU 8 HB3 LEU 8 12.678 4.625 -0.492
49 HG LEU 8 HG LEU 8 13.236 5.570 -3.169
50 HD11 LEU 8 HD11 LEU 8 11.851 7.360 -3.409
51 HD12 LEU 8 HD12 LEU 8 11.539 7.496 -1.679
52 HD13 LEU 8 HD13 LEU 8 10.735 6.242 -2.623
53 HD21 LEU 8 HD21 LEU 8 13.436 7.368 -0.848
54 HD22 LEU 8 HD22 LEU 8 14.645 6.927 -2.055
55 HD23 LEU 8 HD23 LEU 8 14.309 5.842 -0.705
56 H GLY 9 H GLY 9 13.179 0.793 -2.429
57 HA2 GLY 9 HA2 GLY 9 13.034 -1.105 -1.144
58 HA3 GLY 9 HA3 GLY 9 13.145 -0.056 0.262
59 H CYS 10 H CYS 10 10.607 0.255 -2.122
60 HA CYS 10 HA CYS 10 8.706 -0.959 -0.232
61 HB2 CYS 10 HB2 CYS 10 8.482 1.423 0.046
62 HB3 CYS 10 HB3 CYS 10 8.415 1.669 -1.696
63 H HIS 11 H HIS 11 8.687 -2.838 -1.521
64 HA HIS 11 HA HIS 11 7.064 -2.559 -3.947
65 HB2 HIS 11 HB2 HIS 11 8.602 -4.646 -4.683
66 HB3 HIS 11 HB3 HIS 11 8.965 -2.980 -5.120
67 HD1 HIS 11 HD1 HIS 11 11.118 -2.008 -4.260
68 HD2 HIS 11 HD2 HIS 11 10.175 -5.642 -2.480
69 HE1 HIS 11 HE1 HIS 11 13.150 -2.650 -2.923
70 HA HYP 12 HA HYP 12 6.857 -4.440 -5.597
71 HB2 HYP 12 HB2 HYP 12 4.365 -5.147 -6.411
72 HB3 HYP 12 HB3 HYP 12 5.673 -6.317 -6.195
73 HG HYP 12 HG HYP 12 3.414 -5.639 -4.351
74 HD22 HYP 12 HD2 HYP 12 4.697 -5.961 -2.464
75 HD23 HYP 12 HD3 HYP 12 5.840 -7.027 -3.306
76 HD1 HYP 12 HOD HYP 12 4.855 -7.709 -4.481
77 H CYS 13 H CYS 13 5.671 -2.973 -7.076
78 HA CYS 13 HA CYS 13 4.613 -0.713 -5.579
79 HB2 CYS 13 HB2 CYS 13 4.953 -0.692 -8.552
80 HB3 CYS 13 HB3 CYS 13 5.177 0.615 -7.393
81 H CYS 14 H CYS 14 2.593 0.372 -6.082
82 HA CYS 14 HA CYS 14 0.567 -1.446 -6.982
83 HB2 CYS 14 HB3 CYS 14 0.654 0.911 -5.398
84 HB3 CYS 14 HB2 CYS 14 -0.735 0.619 -6.206
85 HN1 NH2 15 1HN NH2 15 -0.303 -0.076 -10.024
86 HN2 NH2 15 2HN NH2 15 -0.455 -1.369 -8.881
Start of MODEL 20
1 H1 CYS 1 H CYS 1 2.004 -0.471 1.067
2 HA CYS 1 HA CYS 1 3.215 -0.742 -0.853
3 HB2 CYS 1 HB2 CYS 1 2.155 -1.279 -2.929
4 HB3 CYS 1 HB3 CYS 1 1.234 -2.075 -1.657
5 H CYS 2 H CYS 2 4.147 0.604 -2.441
6 HA CYS 2 HA CYS 2 3.105 3.361 -2.423
7 HB2 CYS 2 HB2 CYS 2 5.976 2.689 -2.990
8 HB3 CYS 2 HB3 CYS 2 5.288 4.196 -2.394
9 H ARG 3 H ARG 3 3.214 4.579 -4.337
10 HA ARG 3 HA ARG 3 3.116 2.948 -6.753
11 HB2 ARG 3 HB2 ARG 3 2.247 5.767 -6.129
12 HB3 ARG 3 HB3 ARG 3 2.256 5.126 -7.766
13 HG2 ARG 3 HG2 ARG 3 0.905 3.234 -6.195
14 HG3 ARG 3 HG3 ARG 3 0.294 4.818 -5.709
15 HD2 ARG 3 HD2 ARG 3 0.521 3.933 -8.578
16 HD3 ARG 3 HD3 ARG 3 -0.935 3.711 -7.608
17 HE ARG 3 HE ARG 3 -0.057 6.121 -8.843
18 HH11 ARG 3 HH11 ARG 3 -1.723 4.861 -6.057
19 HH12 ARG 3 HH12 ARG 3 -2.653 6.300 -5.800
20 HH21 ARG 3 HH21 ARG 3 -1.276 8.021 -8.515
21 HH22 ARG 3 HH22 ARG 3 -2.398 8.097 -7.199
22 H LEU 4 H LEU 4 4.433 6.167 -5.942
23 HA LEU 4 HA LEU 4 6.446 5.843 -8.025
24 HB2 LEU 4 HB2 LEU 4 5.961 8.217 -6.237
25 HB3 LEU 4 HB3 LEU 4 6.918 8.176 -7.717
26 HG LEU 4 HG LEU 4 3.919 7.964 -7.479
27 HD11 LEU 4 HD11 LEU 4 4.935 10.221 -7.260
28 HD12 LEU 4 HD12 LEU 4 3.887 10.045 -8.667
29 HD13 LEU 4 HD13 LEU 4 5.639 10.014 -8.864
30 HD21 LEU 4 HD21 LEU 4 3.873 7.798 -9.897
31 HD22 LEU 4 HD22 LEU 4 4.778 6.448 -9.212
32 HD23 LEU 4 HD23 LEU 4 5.636 7.800 -9.954
33 H ALA 5 H ALA 5 6.196 6.202 -4.530
34 HA ALA 5 HA ALA 5 9.042 6.258 -4.124
35 HB1 ALA 5 HB1 ALA 5 7.701 5.543 -1.731
36 HB2 ALA 5 HB2 ALA 5 8.414 7.096 -2.170
37 HB3 ALA 5 HB3 ALA 5 6.727 6.759 -2.557
38 H CYS 6 H CYS 6 7.097 3.859 -5.133
39 HA CYS 6 HA CYS 6 7.614 1.661 -3.506
40 HB2 CYS 6 HB2 CYS 6 6.713 0.389 -5.187
41 HB3 CYS 6 HB3 CYS 6 6.157 1.977 -5.707
42 H GLY 7 H GLY 7 9.715 3.407 -5.600
43 HA2 GLY 7 HA2 GLY 7 11.633 1.286 -5.949
44 HA3 GLY 7 HA3 GLY 7 11.851 2.975 -6.383
45 H LEU 8 H LEU 8 10.908 3.434 -3.425
46 HA LEU 8 HA LEU 8 13.622 3.477 -2.374
47 HB2 LEU 8 HB2 LEU 8 11.035 4.759 -1.596
48 HB3 LEU 8 HB3 LEU 8 12.362 4.674 -0.440
49 HG LEU 8 HG LEU 8 13.595 5.735 -2.635
50 HD11 LEU 8 HD11 LEU 8 10.946 5.929 -3.299
51 HD12 LEU 8 HD12 LEU 8 12.240 6.944 -3.934
52 HD13 LEU 8 HD13 LEU 8 11.274 7.500 -2.567
53 HD21 LEU 8 HD21 LEU 8 12.967 7.967 -1.321
54 HD22 LEU 8 HD22 LEU 8 14.122 6.789 -0.695
55 HD23 LEU 8 HD23 LEU 8 12.457 6.788 -0.112
56 H GLY 9 H GLY 9 13.176 0.950 -2.445
57 HA2 GLY 9 HA2 GLY 9 13.135 -0.961 -1.172
58 HA3 GLY 9 HA3 GLY 9 13.201 0.083 0.240
59 H CYS 10 H CYS 10 10.636 0.280 -2.126
60 HA CYS 10 HA CYS 10 8.811 -1.041 -0.233
61 HB2 CYS 10 HB2 CYS 10 8.468 1.325 0.061
62 HB3 CYS 10 HB3 CYS 10 8.378 1.578 -1.679
63 H HIS 11 H HIS 11 8.880 -2.910 -1.534
64 HA HIS 11 HA HIS 11 7.230 -2.699 -3.949
65 HB2 HIS 11 HB2 HIS 11 8.867 -4.701 -4.708
66 HB3 HIS 11 HB3 HIS 11 9.143 -3.015 -5.136
67 HD1 HIS 11 HD1 HIS 11 11.249 -1.941 -4.282
68 HD2 HIS 11 HD2 HIS 11 10.502 -5.629 -2.520
69 HE1 HIS 11 HE1 HIS 11 13.319 -2.487 -2.961
70 HA HYP 12 HA HYP 12 7.109 -4.578 -5.611
71 HB2 HYP 12 HB2 HYP 12 4.651 -5.406 -6.415
72 HB3 HYP 12 HB3 HYP 12 6.018 -6.509 -6.214
73 HG HYP 12 HG HYP 12 3.739 -5.958 -4.352
74 HD22 HYP 12 HD2 HYP 12 5.048 -6.227 -2.475
75 HD23 HYP 12 HD3 HYP 12 6.239 -7.228 -3.331
76 HD1 HYP 12 HOD HYP 12 5.283 -7.952 -4.505
77 H CYS 13 H CYS 13 5.840 -3.164 -7.073
78 HA CYS 13 HA CYS 13 4.678 -0.971 -5.555
79 HB2 CYS 13 HB2 CYS 13 4.999 -0.914 -8.530
80 HB3 CYS 13 HB3 CYS 13 5.163 0.396 -7.364
81 H CYS 14 H CYS 14 2.602 0.014 -6.039
82 HA CYS 14 HA CYS 14 0.666 -1.899 -6.939
83 HB2 CYS 14 HB3 CYS 14 0.643 0.449 -5.341
84 HB3 CYS 14 HB2 CYS 14 -0.734 0.092 -6.143
85 HN1 NH2 15 1HN NH2 15 -0.291 -0.557 -9.968
86 HN2 NH2 15 2HN NH2 15 -0.369 -1.863 -8.832
Start of MODEL 21
1 H1 CYS 1 H CYS 1 1.769 0.493 1.138
2 HA CYS 1 HA CYS 1 3.327 -0.709 -0.631
3 HB2 CYS 1 HB2 CYS 1 2.171 -1.195 -2.667
4 HB3 CYS 1 HB3 CYS 1 1.296 -2.005 -1.371
5 H CYS 2 H CYS 2 4.204 0.657 -2.233
6 HA CYS 2 HA CYS 2 3.197 3.424 -2.118
7 HB2 CYS 2 HB2 CYS 2 6.032 2.731 -2.823
8 HB3 CYS 2 HB3 CYS 2 5.388 4.235 -2.170
9 H ARG 3 H ARG 3 3.236 4.677 -4.013
10 HA ARG 3 HA ARG 3 3.012 3.093 -6.452
11 HB2 ARG 3 HB2 ARG 3 2.152 5.865 -5.671
12 HB3 ARG 3 HB3 ARG 3 2.190 5.373 -7.359
13 HG2 ARG 3 HG2 ARG 3 0.818 3.453 -5.664
14 HG3 ARG 3 HG3 ARG 3 0.086 5.058 -5.621
15 HD2 ARG 3 HD2 ARG 3 0.811 3.708 -8.204
16 HD3 ARG 3 HD3 ARG 3 -0.735 3.421 -7.408
17 HE ARG 3 HE ARG 3 -0.153 6.205 -7.777
18 HH11 ARG 3 HH11 ARG 3 -1.450 3.344 -9.278
19 HH12 ARG 3 HH12 ARG 3 -2.439 4.222 -10.398
20 HH21 ARG 3 HH21 ARG 3 -1.450 7.372 -9.246
21 HH22 ARG 3 HH22 ARG 3 -2.438 6.513 -10.379
22 H LEU 4 H LEU 4 4.402 6.281 -5.640
23 HA LEU 4 HA LEU 4 6.318 5.974 -7.816
24 HB2 LEU 4 HB2 LEU 4 5.880 8.312 -5.965
25 HB3 LEU 4 HB3 LEU 4 6.857 8.303 -7.432
26 HG LEU 4 HG LEU 4 3.855 8.104 -7.241
27 HD11 LEU 4 HD11 LEU 4 4.880 10.348 -6.951
28 HD12 LEU 4 HD12 LEU 4 3.851 10.214 -8.376
29 HD13 LEU 4 HD13 LEU 4 5.605 10.178 -8.549
30 HD21 LEU 4 HD21 LEU 4 3.841 8.000 -9.664
31 HD22 LEU 4 HD22 LEU 4 4.730 6.627 -9.001
32 HD23 LEU 4 HD23 LEU 4 5.605 7.993 -9.696
33 H ALA 5 H ALA 5 6.226 6.270 -4.306
34 HA ALA 5 HA ALA 5 9.087 6.287 -4.026
35 HB1 ALA 5 HB1 ALA 5 7.844 5.542 -1.589
36 HB2 ALA 5 HB2 ALA 5 8.556 7.094 -2.031
37 HB3 ALA 5 HB3 ALA 5 6.849 6.784 -2.349
38 H CYS 6 H CYS 6 7.071 3.929 -4.992
39 HA CYS 6 HA CYS 6 7.633 1.696 -3.430
40 HB2 CYS 6 HB2 CYS 6 6.644 0.466 -5.092
41 HB3 CYS 6 HB3 CYS 6 6.085 2.069 -5.558
42 H GLY 7 H GLY 7 9.661 3.457 -5.582
43 HA2 GLY 7 HA2 GLY 7 11.536 1.322 -6.054
44 HA3 GLY 7 HA3 GLY 7 11.755 3.017 -6.467
45 H LEU 8 H LEU 8 10.948 3.430 -3.461
46 HA LEU 8 HA LEU 8 13.706 3.424 -2.531
47 HB2 LEU 8 HB2 LEU 8 11.185 4.598 -1.374
48 HB3 LEU 8 HB3 LEU 8 12.770 4.718 -0.615
49 HG LEU 8 HG LEU 8 12.210 5.796 -3.368
50 HD11 LEU 8 HD11 LEU 8 10.685 6.973 -2.004
51 HD12 LEU 8 HD12 LEU 8 12.090 8.022 -2.181
52 HD13 LEU 8 HD13 LEU 8 11.852 7.114 -0.689
53 HD21 LEU 8 HD21 LEU 8 14.345 6.412 -3.355
54 HD22 LEU 8 HD22 LEU 8 14.555 5.420 -1.911
55 HD23 LEU 8 HD23 LEU 8 14.190 7.139 -1.755
56 H GLY 9 H GLY 9 13.228 0.903 -2.629
57 HA2 GLY 9 HA2 GLY 9 13.220 -1.031 -1.390
58 HA3 GLY 9 HA3 GLY 9 13.361 -0.015 0.037
59 H CYS 10 H CYS 10 10.696 0.255 -2.211
60 HA CYS 10 HA CYS 10 8.941 -1.081 -0.264
61 HB2 CYS 10 HB2 CYS 10 8.639 1.282 0.089
62 HB3 CYS 10 HB3 CYS 10 8.476 1.569 -1.640
63 H HIS 11 H HIS 11 8.930 -2.926 -1.601
64 HA HIS 11 HA HIS 11 7.178 -2.651 -3.936
65 HB2 HIS 11 HB2 HIS 11 8.757 -4.656 -4.803
66 HB3 HIS 11 HB3 HIS 11 9.034 -2.966 -5.211
67 HD1 HIS 11 HD1 HIS 11 11.188 -1.931 -4.431
68 HD2 HIS 11 HD2 HIS 11 10.475 -5.644 -2.707
69 HE1 HIS 11 HE1 HIS 11 13.306 -2.525 -3.213
70 HA HYP 12 HA HYP 12 6.962 -4.497 -5.625
71 HB2 HYP 12 HB2 HYP 12 4.462 -5.282 -6.334
72 HB3 HYP 12 HB3 HYP 12 5.823 -6.404 -6.214
73 HG HYP 12 HG HYP 12 3.635 -5.863 -4.244
74 HD22 HYP 12 HD2 HYP 12 5.022 -6.182 -2.432
75 HD23 HYP 12 HD3 HYP 12 6.161 -7.179 -3.358
76 HD1 HYP 12 HOD HYP 12 5.147 -7.870 -4.501
77 H CYS 13 H CYS 13 5.648 -3.042 -7.003
78 HA CYS 13 HA CYS 13 4.579 -0.865 -5.395
79 HB2 CYS 13 HB2 CYS 13 4.769 -0.755 -8.380
80 HB3 CYS 13 HB3 CYS 13 5.000 0.530 -7.199
81 H CYS 14 H CYS 14 2.496 0.152 -5.769
82 HA CYS 14 HA CYS 14 0.499 -1.723 -6.618
83 HB2 CYS 14 HB3 CYS 14 0.574 0.596 -4.977
84 HB3 CYS 14 HB2 CYS 14 -0.841 0.269 -5.724
85 HN1 NH2 15 1HN NH2 15 -0.573 -0.313 -9.576
86 HN2 NH2 15 2HN NH2 15 -0.618 -1.639 -8.463
Start of MODEL 22
1 H1 CYS 1 H CYS 1 1.772 -0.688 1.005
2 HA CYS 1 HA CYS 1 3.227 -0.511 -0.780
3 HB2 CYS 1 HB2 CYS 1 2.126 -1.013 -2.842
4 HB3 CYS 1 HB3 CYS 1 1.191 -1.774 -1.559
5 H CYS 2 H CYS 2 4.187 0.800 -2.379
6 HA CYS 2 HA CYS 2 3.243 3.591 -2.354
7 HB2 CYS 2 HB2 CYS 2 6.082 2.819 -2.952
8 HB3 CYS 2 HB3 CYS 2 5.454 4.350 -2.352
9 H ARG 3 H ARG 3 3.373 4.803 -4.272
10 HA ARG 3 HA ARG 3 3.191 3.174 -6.684
11 HB2 ARG 3 HB2 ARG 3 2.254 5.886 -5.881
12 HB3 ARG 3 HB3 ARG 3 2.551 5.592 -7.589
13 HG2 ARG 3 HG2 ARG 3 1.067 3.397 -6.723
14 HG3 ARG 3 HG3 ARG 3 0.324 4.800 -5.952
15 HD2 ARG 3 HD2 ARG 3 0.086 5.895 -8.096
16 HD3 ARG 3 HD3 ARG 3 0.935 4.573 -8.896
17 HE ARG 3 HE ARG 3 -1.014 3.384 -8.901
18 HH11 ARG 3 HH11 ARG 3 -1.272 5.956 -6.569
19 HH12 ARG 3 HH12 ARG 3 -2.949 5.667 -6.242
20 HH21 ARG 3 HH21 ARG 3 -3.221 2.993 -8.479
21 HH22 ARG 3 HH22 ARG 3 -4.056 3.981 -7.328
22 H LEU 4 H LEU 4 4.629 6.345 -5.893
23 HA LEU 4 HA LEU 4 6.607 5.948 -7.998
24 HB2 LEU 4 HB2 LEU 4 6.280 8.344 -6.209
25 HB3 LEU 4 HB3 LEU 4 7.137 8.255 -7.747
26 HG LEU 4 HG LEU 4 4.154 8.169 -7.314
27 HD11 LEU 4 HD11 LEU 4 5.273 10.383 -7.182
28 HD12 LEU 4 HD12 LEU 4 4.129 10.241 -8.517
29 HD13 LEU 4 HD13 LEU 4 5.862 10.137 -8.826
30 HD21 LEU 4 HD21 LEU 4 5.699 7.918 -9.893
31 HD22 LEU 4 HD22 LEU 4 3.945 7.991 -9.724
32 HD23 LEU 4 HD23 LEU 4 4.836 6.608 -9.086
33 H ALA 5 H ALA 5 6.408 6.320 -4.500
34 HA ALA 5 HA ALA 5 9.259 6.276 -4.126
35 HB1 ALA 5 HB1 ALA 5 7.920 5.612 -1.717
36 HB2 ALA 5 HB2 ALA 5 8.682 7.139 -2.167
37 HB3 ALA 5 HB3 ALA 5 6.980 6.860 -2.535
38 H CYS 6 H CYS 6 7.219 3.946 -5.109
39 HA CYS 6 HA CYS 6 7.677 1.734 -3.484
40 HB2 CYS 6 HB2 CYS 6 6.714 0.492 -5.153
41 HB3 CYS 6 HB3 CYS 6 6.208 2.097 -5.670
42 H GLY 7 H GLY 7 9.815 3.402 -5.604
43 HA2 GLY 7 HA2 GLY 7 11.653 1.215 -5.971
44 HA3 GLY 7 HA3 GLY 7 11.926 2.894 -6.410
45 H LEU 8 H LEU 8 11.032 3.390 -3.442
46 HA LEU 8 HA LEU 8 13.757 3.339 -2.422
47 HB2 LEU 8 HB2 LEU 8 11.220 4.684 -1.563
48 HB3 LEU 8 HB3 LEU 8 12.617 4.606 -0.490
49 HG LEU 8 HG LEU 8 13.836 5.657 -2.591
50 HD11 LEU 8 HD11 LEU 8 12.566 6.797 -4.082
51 HD12 LEU 8 HD12 LEU 8 11.263 7.080 -2.929
52 HD13 LEU 8 HD13 LEU 8 11.423 5.507 -3.708
53 HD21 LEU 8 HD21 LEU 8 14.088 7.095 -0.906
54 HD22 LEU 8 HD22 LEU 8 12.498 6.722 -0.239
55 HD23 LEU 8 HD23 LEU 8 12.656 7.912 -1.532
56 H GLY 9 H GLY 9 13.222 0.829 -2.484
57 HA2 GLY 9 HA2 GLY 9 13.129 -1.077 -1.207
58 HA3 GLY 9 HA3 GLY 9 13.247 -0.035 0.203
59 H CYS 10 H CYS 10 10.664 0.249 -2.136
60 HA CYS 10 HA CYS 10 8.815 -1.005 -0.221
61 HB2 CYS 10 HB2 CYS 10 8.558 1.372 0.074
62 HB3 CYS 10 HB3 CYS 10 8.458 1.626 -1.666
63 H HIS 11 H HIS 11 8.804 -2.877 -1.519
64 HA HIS 11 HA HIS 11 7.135 -2.611 -3.916
65 HB2 HIS 11 HB2 HIS 11 8.693 -4.670 -4.690
66 HB3 HIS 11 HB3 HIS 11 9.023 -2.996 -5.123
67 HD1 HIS 11 HD1 HIS 11 11.175 -1.995 -4.295
68 HD2 HIS 11 HD2 HIS 11 10.319 -5.652 -2.518
69 HE1 HIS 11 HE1 HIS 11 13.238 -2.611 -2.996
70 HA HYP 12 HA HYP 12 6.930 -4.487 -5.573
71 HB2 HYP 12 HB2 HYP 12 4.436 -5.229 -6.349
72 HB3 HYP 12 HB3 HYP 12 5.766 -6.379 -6.161
73 HG HYP 12 HG HYP 12 3.528 -5.746 -4.275
74 HD22 HYP 12 HD2 HYP 12 4.848 -6.058 -2.412
75 HD23 HYP 12 HD3 HYP 12 5.993 -7.101 -3.280
76 HD1 HYP 12 HOD HYP 12 4.999 -7.793 -4.441
77 H CYS 13 H CYS 13 5.696 -3.031 -7.023
78 HA CYS 13 HA CYS 13 4.628 -0.796 -5.497
79 HB2 CYS 13 HB2 CYS 13 4.918 -0.755 -8.475
80 HB3 CYS 13 HB3 CYS 13 5.140 0.550 -7.313
81 H CYS 14 H CYS 14 2.583 0.260 -5.960
82 HA CYS 14 HA CYS 14 0.571 -1.585 -6.835
83 HB2 CYS 14 HB3 CYS 14 0.648 0.765 -5.240
84 HB3 CYS 14 HB2 CYS 14 -0.750 0.455 -6.027
85 HN1 NH2 15 1HN NH2 15 -0.371 -0.214 -9.855
86 HN2 NH2 15 2HN NH2 15 -0.483 -1.515 -8.717
Start of MODEL 23
1 H1 CYS 1 H CYS 1 0.255 0.044 -0.282
2 HA CYS 1 HA CYS 1 2.980 -0.550 -1.189
3 HB2 CYS 1 HB2 CYS 1 2.035 -1.102 -3.314
4 HB3 CYS 1 HB3 CYS 1 1.028 -1.864 -2.088
5 H CYS 2 H CYS 2 4.024 0.758 -2.737
6 HA CYS 2 HA CYS 2 3.028 3.530 -2.819
7 HB2 CYS 2 HB2 CYS 2 5.915 2.807 -3.208
8 HB3 CYS 2 HB3 CYS 2 5.218 4.333 -2.675
9 H ARG 3 H ARG 3 3.267 4.718 -4.741
10 HA ARG 3 HA ARG 3 3.284 3.053 -7.136
11 HB2 ARG 3 HB2 ARG 3 2.230 5.746 -6.431
12 HB3 ARG 3 HB3 ARG 3 2.669 5.458 -8.109
13 HG2 ARG 3 HG2 ARG 3 0.435 4.905 -8.082
14 HG3 ARG 3 HG3 ARG 3 1.209 3.333 -7.869
15 HD2 ARG 3 HD2 ARG 3 -0.176 3.122 -6.119
16 HD3 ARG 3 HD3 ARG 3 0.970 4.176 -5.293
17 HE ARG 3 HE ARG 3 -0.744 5.900 -6.508
18 HH11 ARG 3 HH11 ARG 3 -1.136 3.204 -4.340
19 HH12 ARG 3 HH12 ARG 3 -2.568 3.840 -3.599
20 HH21 ARG 3 HH21 ARG 3 -2.628 6.748 -5.540
21 HH22 ARG 3 HH22 ARG 3 -3.416 5.855 -4.283
22 H LEU 4 H LEU 4 4.603 6.262 -6.294
23 HA LEU 4 HA LEU 4 6.729 5.877 -8.251
24 HB2 LEU 4 HB2 LEU 4 6.134 8.279 -6.533
25 HB3 LEU 4 HB3 LEU 4 7.235 8.214 -7.907
26 HG LEU 4 HG LEU 4 4.226 8.035 -7.973
27 HD11 LEU 4 HD11 LEU 4 5.240 10.284 -7.674
28 HD12 LEU 4 HD12 LEU 4 4.337 10.103 -9.178
29 HD13 LEU 4 HD13 LEU 4 6.100 10.052 -9.197
30 HD21 LEU 4 HD21 LEU 4 6.183 7.826 -10.259
31 HD22 LEU 4 HD22 LEU 4 4.424 7.844 -10.383
32 HD23 LEU 4 HD23 LEU 4 5.239 6.492 -9.596
33 H ALA 5 H ALA 5 6.281 6.293 -4.781
34 HA ALA 5 HA ALA 5 9.099 6.311 -4.211
35 HB1 ALA 5 HB1 ALA 5 7.610 5.653 -1.890
36 HB2 ALA 5 HB2 ALA 5 8.372 7.188 -2.309
37 HB3 ALA 5 HB3 ALA 5 6.705 6.871 -2.790
38 H CYS 6 H CYS 6 7.178 3.927 -5.298
39 HA CYS 6 HA CYS 6 7.564 1.747 -3.612
40 HB2 CYS 6 HB2 CYS 6 6.743 0.464 -5.325
41 HB3 CYS 6 HB3 CYS 6 6.243 2.051 -5.899
42 H GLY 7 H GLY 7 9.811 3.429 -5.604
43 HA2 GLY 7 HA2 GLY 7 11.712 1.274 -5.810
44 HA3 GLY 7 HA3 GLY 7 11.983 2.953 -6.255
45 H LEU 8 H LEU 8 10.875 3.471 -3.363
46 HA LEU 8 HA LEU 8 13.524 3.488 -2.157
47 HB2 LEU 8 HB2 LEU 8 10.907 4.786 -1.480
48 HB3 LEU 8 HB3 LEU 8 12.243 4.764 -0.331
49 HG LEU 8 HG LEU 8 12.551 5.897 -3.097
50 HD11 LEU 8 HD11 LEU 8 11.672 7.899 -2.525
51 HD12 LEU 8 HD12 LEU 8 12.102 7.729 -0.823
52 HD13 LEU 8 HD13 LEU 8 10.684 6.896 -1.462
53 HD21 LEU 8 HD21 LEU 8 14.419 7.053 -2.140
54 HD22 LEU 8 HD22 LEU 8 14.562 5.341 -1.740
55 HD23 LEU 8 HD23 LEU 8 14.001 6.488 -0.522
56 H GLY 9 H GLY 9 13.043 0.967 -2.218
57 HA2 GLY 9 HA2 GLY 9 12.897 -0.923 -0.922
58 HA3 GLY 9 HA3 GLY 9 12.898 0.141 0.476
59 H CYS 10 H CYS 10 10.478 0.341 -2.039
60 HA CYS 10 HA CYS 10 8.525 -0.924 -0.238
61 HB2 CYS 10 HB2 CYS 10 8.203 1.451 0.003
62 HB3 CYS 10 HB3 CYS 10 8.219 1.679 -1.743
63 H HIS 11 H HIS 11 8.640 -2.813 -1.506
64 HA HIS 11 HA HIS 11 7.136 -2.614 -4.016
65 HB2 HIS 11 HB2 HIS 11 8.783 -4.651 -4.649
66 HB3 HIS 11 HB3 HIS 11 9.110 -2.976 -5.084
67 HD1 HIS 11 HD1 HIS 11 11.180 -1.922 -4.124
68 HD2 HIS 11 HD2 HIS 11 10.273 -5.571 -2.357
69 HE1 HIS 11 HE1 HIS 11 13.160 -2.479 -2.677
70 HA HYP 12 HA HYP 12 7.082 -4.515 -5.655
71 HB2 HYP 12 HB2 HYP 12 4.663 -5.318 -6.590
72 HB3 HYP 12 HB3 HYP 12 5.998 -6.438 -6.294
73 HG HYP 12 HG HYP 12 3.624 -5.825 -4.577
74 HD22 HYP 12 HD2 HYP 12 4.816 -6.085 -2.622
75 HD23 HYP 12 HD3 HYP 12 6.039 -7.117 -3.393
76 HD1 HYP 12 HOD HYP 12 5.142 -7.844 -4.610
77 H CYS 13 H CYS 13 5.924 -3.104 -7.209
78 HA CYS 13 HA CYS 13 4.711 -0.871 -5.792
79 HB2 CYS 13 HB2 CYS 13 5.205 -0.863 -8.744
80 HB3 CYS 13 HB3 CYS 13 5.322 0.461 -7.589
81 H CYS 14 H CYS 14 2.683 0.137 -6.411
82 HA CYS 14 HA CYS 14 0.772 -1.759 -7.396
83 HB2 CYS 14 HB3 CYS 14 0.693 0.613 -5.835
84 HB3 CYS 14 HB2 CYS 14 -0.640 0.265 -6.711
85 HN1 NH2 15 1HN NH2 15 0.015 -0.448 -10.494
86 HN2 NH2 15 2HN NH2 15 -0.150 -1.736 -9.347
Start of MODEL 24
1 H1 CYS 1 H CYS 1 0.632 -0.348 0.338
2 HA CYS 1 HA CYS 1 3.263 -0.588 -0.785
3 HB2 CYS 1 HB2 CYS 1 2.163 -1.091 -2.848
4 HB3 CYS 1 HB3 CYS 1 1.243 -1.875 -1.567
5 H CYS 2 H CYS 2 4.200 0.747 -2.378
6 HA CYS 2 HA CYS 2 3.216 3.525 -2.331
7 HB2 CYS 2 HB2 CYS 2 6.063 2.797 -2.943
8 HB3 CYS 2 HB3 CYS 2 5.415 4.315 -2.330
9 H ARG 3 H ARG 3 3.322 4.751 -4.241
10 HA ARG 3 HA ARG 3 3.155 3.136 -6.664
11 HB2 ARG 3 HB2 ARG 3 2.383 5.989 -6.049
12 HB3 ARG 3 HB3 ARG 3 2.297 5.298 -7.664
13 HG2 ARG 3 HG2 ARG 3 0.938 3.460 -6.144
14 HG3 ARG 3 HG3 ARG 3 0.494 4.999 -5.403
15 HD2 ARG 3 HD2 ARG 3 -0.200 5.859 -7.573
16 HD3 ARG 3 HD3 ARG 3 0.290 4.350 -8.342
17 HE ARG 3 HE ARG 3 -1.532 3.675 -6.373
18 HH11 ARG 3 HH11 ARG 3 -1.489 5.585 -9.284
19 HH12 ARG 3 HH12 ARG 3 -3.164 5.321 -9.638
20 HH21 ARG 3 HH21 ARG 3 -3.739 3.320 -6.829
21 HH22 ARG 3 HH22 ARG 3 -4.443 4.033 -8.240
22 H LEU 4 H LEU 4 4.551 6.322 -5.855
23 HA LEU 4 HA LEU 4 6.527 5.968 -7.969
24 HB2 LEU 4 HB2 LEU 4 5.490 8.253 -6.386
25 HB3 LEU 4 HB3 LEU 4 7.141 8.364 -6.992
26 HG LEU 4 HG LEU 4 6.377 8.189 -9.265
27 HD11 LEU 4 HD11 LEU 4 4.540 6.608 -8.871
28 HD12 LEU 4 HD12 LEU 4 4.033 7.987 -9.846
29 HD13 LEU 4 HD13 LEU 4 3.594 7.905 -8.140
30 HD21 LEU 4 HD21 LEU 4 5.170 10.252 -9.464
31 HD22 LEU 4 HD22 LEU 4 6.311 10.400 -8.128
32 HD23 LEU 4 HD23 LEU 4 4.598 10.133 -7.800
33 H ALA 5 H ALA 5 6.334 6.313 -4.468
34 HA ALA 5 HA ALA 5 9.187 6.307 -4.103
35 HB1 ALA 5 HB1 ALA 5 7.866 5.608 -1.695
36 HB2 ALA 5 HB2 ALA 5 8.604 7.148 -2.137
37 HB3 ALA 5 HB3 ALA 5 6.905 6.848 -2.501
38 H CYS 6 H CYS 6 7.177 3.955 -5.096
39 HA CYS 6 HA CYS 6 7.672 1.738 -3.488
40 HB2 CYS 6 HB2 CYS 6 6.721 0.494 -5.162
41 HB3 CYS 6 HB3 CYS 6 6.190 2.096 -5.666
42 H GLY 7 H GLY 7 9.779 3.451 -5.603
43 HA2 GLY 7 HA2 GLY 7 11.647 1.293 -5.990
44 HA3 GLY 7 HA3 GLY 7 11.894 2.980 -6.419
45 H LEU 8 H LEU 8 11.003 3.442 -3.445
46 HA LEU 8 HA LEU 8 13.732 3.423 -2.434
47 HB2 LEU 8 HB2 LEU 8 11.184 4.754 -1.611
48 HB3 LEU 8 HB3 LEU 8 12.527 4.635 -0.475
49 HG LEU 8 HG LEU 8 13.119 5.768 -3.150
50 HD11 LEU 8 HD11 LEU 8 11.071 6.904 -2.768
51 HD12 LEU 8 HD12 LEU 8 12.366 8.015 -2.325
52 HD13 LEU 8 HD13 LEU 8 11.461 7.173 -1.069
53 HD21 LEU 8 HD21 LEU 8 14.833 6.790 -2.062
54 HD22 LEU 8 HD22 LEU 8 14.598 5.427 -0.968
55 HD23 LEU 8 HD23 LEU 8 13.911 7.004 -0.574
56 H GLY 9 H GLY 9 13.233 0.906 -2.511
57 HA2 GLY 9 HA2 GLY 9 13.170 -1.010 -1.247
58 HA3 GLY 9 HA3 GLY 9 13.278 0.025 0.169
59 H CYS 10 H CYS 10 10.684 0.287 -2.159
60 HA CYS 10 HA CYS 10 8.859 -1.006 -0.247
61 HB2 CYS 10 HB2 CYS 10 8.570 1.365 0.065
62 HB3 CYS 10 HB3 CYS 10 8.460 1.629 -1.672
63 H HIS 11 H HIS 11 8.871 -2.869 -1.558
64 HA HIS 11 HA HIS 11 7.191 -2.611 -3.948
65 HB2 HIS 11 HB2 HIS 11 8.775 -4.642 -4.740
66 HB3 HIS 11 HB3 HIS 11 9.080 -2.960 -5.164
67 HD1 HIS 11 HD1 HIS 11 11.220 -1.935 -4.335
68 HD2 HIS 11 HD2 HIS 11 10.422 -5.615 -2.581
69 HE1 HIS 11 HE1 HIS 11 13.296 -2.530 -3.047
70 HA HYP 12 HA HYP 12 7.007 -4.478 -5.617
71 HB2 HYP 12 HB2 HYP 12 4.522 -5.251 -6.389
72 HB3 HYP 12 HB3 HYP 12 5.868 -6.382 -6.214
73 HG HYP 12 HG HYP 12 3.628 -5.795 -4.317
74 HD22 HYP 12 HD2 HYP 12 4.958 -6.101 -2.460
75 HD23 HYP 12 HD3 HYP 12 6.115 -7.121 -3.338
76 HD1 HYP 12 HOD HYP 12 5.128 -7.819 -4.502
77 H CYS 13 H CYS 13 5.748 -3.030 -7.053
78 HA CYS 13 HA CYS 13 4.653 -0.821 -5.508
79 HB2 CYS 13 HB2 CYS 13 4.932 -0.755 -8.486
80 HB3 CYS 13 HB3 CYS 13 5.140 0.544 -7.317
81 H CYS 14 H CYS 14 2.591 0.208 -5.957
82 HA CYS 14 HA CYS 14 0.603 -1.659 -6.839
83 HB2 CYS 14 HB3 CYS 14 0.651 0.681 -5.228
84 HB3 CYS 14 HB2 CYS 14 -0.744 0.356 -6.012
85 HN1 NH2 15 1HN NH2 15 -0.369 -0.281 -9.846
86 HN2 NH2 15 2HN NH2 15 -0.458 -1.591 -8.717
Start of MODEL 25
1 H1 CYS 1 H CYS 1 0.854 -0.662 0.548
2 HA CYS 1 HA CYS 1 3.262 -0.522 -0.717
3 HB2 CYS 1 HB2 CYS 1 2.134 -1.001 -2.770
4 HB3 CYS 1 HB3 CYS 1 1.219 -1.780 -1.484
5 H CYS 2 H CYS 2 4.198 0.811 -2.313
6 HA CYS 2 HA CYS 2 3.249 3.600 -2.239
7 HB2 CYS 2 HB2 CYS 2 6.081 2.841 -2.886
8 HB3 CYS 2 HB3 CYS 2 5.458 4.363 -2.257
9 H ARG 3 H ARG 3 3.350 4.836 -4.143
10 HA ARG 3 HA ARG 3 3.138 3.237 -6.573
11 HB2 ARG 3 HB2 ARG 3 2.359 6.061 -5.872
12 HB3 ARG 3 HB3 ARG 3 2.347 5.479 -7.532
13 HG2 ARG 3 HG2 ARG 3 0.956 3.616 -5.875
14 HG3 ARG 3 HG3 ARG 3 0.328 5.240 -5.592
15 HD2 ARG 3 HD2 ARG 3 -0.081 5.539 -7.951
16 HD3 ARG 3 HD3 ARG 3 0.677 3.988 -8.312
17 HE ARG 3 HE ARG 3 -1.384 3.448 -6.557
18 HH11 ARG 3 HH11 ARG 3 -1.035 4.829 -9.734
19 HH12 ARG 3 HH12 ARG 3 -2.595 4.305 -10.275
20 HH21 ARG 3 HH21 ARG 3 -3.440 2.753 -7.258
21 HH22 ARG 3 HH22 ARG 3 -3.963 3.125 -8.866
22 H LEU 4 H LEU 4 4.581 6.401 -5.761
23 HA LEU 4 HA LEU 4 6.529 6.035 -7.898
24 HB2 LEU 4 HB2 LEU 4 5.553 8.326 -6.279
25 HB3 LEU 4 HB3 LEU 4 7.187 8.416 -6.934
26 HG LEU 4 HG LEU 4 6.352 8.262 -9.184
27 HD11 LEU 4 HD11 LEU 4 4.507 6.703 -8.743
28 HD12 LEU 4 HD12 LEU 4 3.989 8.095 -9.694
29 HD13 LEU 4 HD13 LEU 4 3.601 8.008 -7.976
30 HD21 LEU 4 HD21 LEU 4 5.167 10.341 -9.339
31 HD22 LEU 4 HD22 LEU 4 6.350 10.469 -8.036
32 HD23 LEU 4 HD23 LEU 4 4.644 10.222 -7.658
33 H ALA 5 H ALA 5 6.378 6.362 -4.393
34 HA ALA 5 HA ALA 5 9.234 6.320 -4.059
35 HB1 ALA 5 HB1 ALA 5 7.930 5.622 -1.641
36 HB2 ALA 5 HB2 ALA 5 8.683 7.156 -2.081
37 HB3 ALA 5 HB3 ALA 5 6.976 6.879 -2.429
38 H CYS 6 H CYS 6 7.186 3.998 -5.044
39 HA CYS 6 HA CYS 6 7.671 1.766 -3.454
40 HB2 CYS 6 HB2 CYS 6 6.687 0.544 -5.125
41 HB3 CYS 6 HB3 CYS 6 6.170 2.154 -5.614
42 H GLY 7 H GLY 7 9.775 3.466 -5.581
43 HA2 GLY 7 HA2 GLY 7 11.613 1.288 -6.001
44 HA3 GLY 7 HA3 GLY 7 11.876 2.973 -6.423
45 H LEU 8 H LEU 8 11.022 3.429 -3.437
46 HA LEU 8 HA LEU 8 13.762 3.372 -2.455
47 HB2 LEU 8 HB2 LEU 8 11.245 4.609 -1.354
48 HB3 LEU 8 HB3 LEU 8 12.819 4.703 -0.568
49 HG LEU 8 HG LEU 8 12.407 5.740 -3.354
50 HD11 LEU 8 HD11 LEU 8 12.282 7.598 -1.044
51 HD12 LEU 8 HD12 LEU 8 10.830 6.682 -1.446
52 HD13 LEU 8 HD13 LEU 8 11.570 7.735 -2.652
53 HD21 LEU 8 HD21 LEU 8 14.692 5.350 -2.231
54 HD22 LEU 8 HD22 LEU 8 14.281 6.756 -1.248
55 HD23 LEU 8 HD23 LEU 8 14.388 6.907 -3.002
56 H GLY 9 H GLY 9 13.231 0.861 -2.541
57 HA2 GLY 9 HA2 GLY 9 13.159 -1.062 -1.287
58 HA3 GLY 9 HA3 GLY 9 13.294 -0.036 0.134
59 H CYS 10 H CYS 10 10.679 0.271 -2.165
60 HA CYS 10 HA CYS 10 8.859 -1.011 -0.241
61 HB2 CYS 10 HB2 CYS 10 8.602 1.361 0.087
62 HB3 CYS 10 HB3 CYS 10 8.477 1.637 -1.647
63 H HIS 11 H HIS 11 8.834 -2.866 -1.563
64 HA HIS 11 HA HIS 11 7.132 -2.574 -3.933
65 HB2 HIS 11 HB2 HIS 11 8.683 -4.620 -4.754
66 HB3 HIS 11 HB3 HIS 11 9.004 -2.939 -5.171
67 HD1 HIS 11 HD1 HIS 11 11.165 -1.944 -4.359
68 HD2 HIS 11 HD2 HIS 11 10.340 -5.626 -2.618
69 HE1 HIS 11 HE1 HIS 11 13.247 -2.573 -3.096
70 HA HYP 12 HA HYP 12 6.908 -4.429 -5.611
71 HB2 HYP 12 HB2 HYP 12 4.405 -5.167 -6.361
72 HB3 HYP 12 HB3 HYP 12 5.739 -6.316 -6.206
73 HG HYP 12 HG HYP 12 3.527 -5.712 -4.282
74 HD22 HYP 12 HD2 HYP 12 4.872 -6.045 -2.442
75 HD23 HYP 12 HD3 HYP 12 6.007 -7.074 -3.338
76 HD1 HYP 12 HOD HYP 12 4.999 -7.753 -4.495
77 H CYS 13 H CYS 13 5.651 -2.958 -7.025
78 HA CYS 13 HA CYS 13 4.600 -0.745 -5.456
79 HB2 CYS 13 HB2 CYS 13 4.848 -0.665 -8.437
80 HB3 CYS 13 HB3 CYS 13 5.084 0.625 -7.262
81 H CYS 14 H CYS 14 2.546 0.312 -5.877
82 HA CYS 14 HA CYS 14 0.526 -1.526 -6.748
83 HB2 CYS 14 HB3 CYS 14 0.620 0.804 -5.125
84 HB3 CYS 14 HB2 CYS 14 -0.788 0.501 -5.896
85 HN1 NH2 15 1HN NH2 15 -0.461 -0.119 -9.737
86 HN2 NH2 15 2HN NH2 15 -0.554 -1.434 -8.614
Start of MODEL 26
1 H1 CYS 1 H CYS 1 0.703 0.095 0.385
2 HA CYS 1 HA CYS 1 3.274 -0.742 -0.788
3 HB2 CYS 1 HB2 CYS 1 2.183 -1.258 -2.853
4 HB3 CYS 1 HB3 CYS 1 1.280 -2.066 -1.575
5 H CYS 2 H CYS 2 4.183 0.620 -2.376
6 HA CYS 2 HA CYS 2 3.143 3.377 -2.314
7 HB2 CYS 2 HB2 CYS 2 6.004 2.710 -2.932
8 HB3 CYS 2 HB3 CYS 2 5.326 4.211 -2.311
9 H ARG 3 H ARG 3 3.222 4.614 -4.218
10 HA ARG 3 HA ARG 3 3.086 3.008 -6.649
11 HB2 ARG 3 HB2 ARG 3 2.218 5.812 -5.969
12 HB3 ARG 3 HB3 ARG 3 2.224 5.211 -7.621
13 HG2 ARG 3 HG2 ARG 3 0.877 3.400 -5.800
14 HG3 ARG 3 HG3 ARG 3 0.157 5.011 -5.810
15 HD2 ARG 3 HD2 ARG 3 0.803 3.545 -8.350
16 HD3 ARG 3 HD3 ARG 3 -0.722 3.302 -7.499
17 HE ARG 3 HE ARG 3 0.053 5.594 -9.052
18 HH11 ARG 3 HH11 ARG 3 -2.004 4.425 -6.498
19 HH12 ARG 3 HH12 ARG 3 -3.187 5.675 -6.702
20 HH21 ARG 3 HH21 ARG 3 -1.497 7.244 -9.330
21 HH22 ARG 3 HH22 ARG 3 -2.898 7.277 -8.313
22 H LEU 4 H LEU 4 4.418 6.217 -5.825
23 HA LEU 4 HA LEU 4 6.399 5.914 -7.942
24 HB2 LEU 4 HB2 LEU 4 5.334 8.174 -6.333
25 HB3 LEU 4 HB3 LEU 4 6.969 8.316 -6.976
26 HG LEU 4 HG LEU 4 6.156 8.133 -9.232
27 HD11 LEU 4 HD11 LEU 4 3.406 7.791 -8.043
28 HD12 LEU 4 HD12 LEU 4 4.359 6.516 -8.802
29 HD13 LEU 4 HD13 LEU 4 3.803 7.889 -9.759
30 HD21 LEU 4 HD21 LEU 4 4.906 10.173 -9.397
31 HD22 LEU 4 HD22 LEU 4 6.074 10.339 -8.086
32 HD23 LEU 4 HD23 LEU 4 4.375 10.039 -7.721
33 H ALA 5 H ALA 5 6.202 6.238 -4.439
34 HA ALA 5 HA ALA 5 9.054 6.289 -4.077
35 HB1 ALA 5 HB1 ALA 5 7.749 5.551 -1.671
36 HB2 ALA 5 HB2 ALA 5 8.456 7.107 -2.105
37 HB3 ALA 5 HB3 ALA 5 6.763 6.775 -2.470
38 H CYS 6 H CYS 6 7.092 3.901 -5.080
39 HA CYS 6 HA CYS 6 7.634 1.687 -3.483
40 HB2 CYS 6 HB2 CYS 6 6.707 0.432 -5.163
41 HB3 CYS 6 HB3 CYS 6 6.143 2.025 -5.659
42 H GLY 7 H GLY 7 9.703 3.453 -5.591
43 HA2 GLY 7 HA2 GLY 7 11.615 1.336 -5.991
44 HA3 GLY 7 HA3 GLY 7 11.827 3.029 -6.411
45 H LEU 8 H LEU 8 10.929 3.458 -3.434
46 HA LEU 8 HA LEU 8 13.659 3.490 -2.425
47 HB2 LEU 8 HB2 LEU 8 11.083 4.756 -1.579
48 HB3 LEU 8 HB3 LEU 8 12.445 4.674 -0.463
49 HG LEU 8 HG LEU 8 13.340 5.745 -2.960
50 HD11 LEU 8 HD11 LEU 8 11.139 6.469 -3.458
51 HD12 LEU 8 HD12 LEU 8 12.005 7.872 -2.834
52 HD13 LEU 8 HD13 LEU 8 10.867 7.008 -1.801
53 HD21 LEU 8 HD21 LEU 8 14.546 6.202 -1.000
54 HD22 LEU 8 HD22 LEU 8 13.103 6.729 -0.131
55 HD23 LEU 8 HD23 LEU 8 13.773 7.730 -1.420
56 H GLY 9 H GLY 9 13.211 0.963 -2.515
57 HA2 GLY 9 HA2 GLY 9 13.189 -0.960 -1.260
58 HA3 GLY 9 HA3 GLY 9 13.277 0.070 0.161
59 H CYS 10 H CYS 10 10.676 0.291 -2.164
60 HA CYS 10 HA CYS 10 8.879 -1.049 -0.257
61 HB2 CYS 10 HB2 CYS 10 8.542 1.314 0.067
62 HB3 CYS 10 HB3 CYS 10 8.425 1.585 -1.669
63 H HIS 11 H HIS 11 8.927 -2.905 -1.578
64 HA HIS 11 HA HIS 11 7.241 -2.669 -3.965
65 HB2 HIS 11 HB2 HIS 11 8.865 -4.663 -4.769
66 HB3 HIS 11 HB3 HIS 11 9.135 -2.973 -5.184
67 HD1 HIS 11 HD1 HIS 11 11.255 -1.909 -4.351
68 HD2 HIS 11 HD2 HIS 11 10.533 -5.614 -2.616
69 HE1 HIS 11 HE1 HIS 11 13.344 -2.468 -3.068
70 HA HYP 12 HA HYP 12 7.093 -4.531 -5.643
71 HB2 HYP 12 HB2 HYP 12 4.624 -5.350 -6.418
72 HB3 HYP 12 HB3 HYP 12 5.993 -6.455 -6.249
73 HG HYP 12 HG HYP 12 3.743 -5.923 -4.347
74 HD22 HYP 12 HD2 HYP 12 5.080 -6.211 -2.493
75 HD23 HYP 12 HD3 HYP 12 6.257 -7.203 -3.378
76 HD1 HYP 12 HOD HYP 12 5.283 -7.915 -4.544
77 H CYS 13 H CYS 13 5.804 -3.102 -7.071
78 HA CYS 13 HA CYS 13 4.665 -0.923 -5.514
79 HB2 CYS 13 HB2 CYS 13 4.941 -0.836 -8.492
80 HB3 CYS 13 HB3 CYS 13 5.123 0.461 -7.316
81 H CYS 14 H CYS 14 2.583 0.066 -5.956
82 HA CYS 14 HA CYS 14 0.632 -1.837 -6.846
83 HB2 CYS 14 HB3 CYS 14 0.634 0.496 -5.224
84 HB3 CYS 14 HB2 CYS 14 -0.755 0.147 -6.008
85 HN1 NH2 15 1HN NH2 15 -0.370 -0.464 -9.846
86 HN2 NH2 15 2HN NH2 15 -0.432 -1.781 -8.723
Start of MODEL 27
1 H1 CYS 1 H CYS 1 0.643 -0.193 0.323
2 HA CYS 1 HA CYS 1 3.297 -0.784 -0.792
3 HB2 CYS 1 HB2 CYS 1 2.211 -1.312 -2.856
4 HB3 CYS 1 HB3 CYS 1 1.307 -2.116 -1.576
5 H CYS 2 H CYS 2 4.206 0.572 -2.384
6 HA CYS 2 HA CYS 2 3.161 3.327 -2.338
7 HB2 CYS 2 HB2 CYS 2 6.025 2.662 -2.946
8 HB3 CYS 2 HB3 CYS 2 5.342 4.165 -2.335
9 H ARG 3 H ARG 3 3.243 4.555 -4.248
10 HA ARG 3 HA ARG 3 3.115 2.936 -6.671
11 HB2 ARG 3 HB2 ARG 3 2.390 5.840 -6.237
12 HB3 ARG 3 HB3 ARG 3 2.075 4.903 -7.692
13 HG2 ARG 3 HG2 ARG 3 0.876 3.364 -5.806
14 HG3 ARG 3 HG3 ARG 3 0.629 4.982 -5.147
15 HD2 ARG 3 HD2 ARG 3 -0.040 4.180 -7.975
16 HD3 ARG 3 HD3 ARG 3 -1.201 4.187 -6.647
17 HE ARG 3 HE ARG 3 0.100 6.703 -6.909
18 HH11 ARG 3 HH11 ARG 3 -2.396 4.703 -8.286
19 HH12 ARG 3 HH12 ARG 3 -3.308 6.041 -8.903
20 HH21 ARG 3 HH21 ARG 3 -1.093 8.472 -7.717
21 HH22 ARG 3 HH22 ARG 3 -2.566 8.184 -8.580
22 H LEU 4 H LEU 4 4.438 6.152 -5.861
23 HA LEU 4 HA LEU 4 6.425 5.842 -7.972
24 HB2 LEU 4 HB2 LEU 4 5.958 8.206 -6.165
25 HB3 LEU 4 HB3 LEU 4 6.898 8.174 -7.656
26 HG LEU 4 HG LEU 4 3.903 7.957 -7.384
27 HD11 LEU 4 HD11 LEU 4 5.603 10.016 -8.779
28 HD12 LEU 4 HD12 LEU 4 4.916 10.214 -7.167
29 HD13 LEU 4 HD13 LEU 4 3.853 10.043 -8.563
30 HD21 LEU 4 HD21 LEU 4 5.590 7.806 -9.880
31 HD22 LEU 4 HD22 LEU 4 3.828 7.803 -9.804
32 HD23 LEU 4 HD23 LEU 4 4.742 6.450 -9.135
33 H ALA 5 H ALA 5 6.220 6.183 -4.471
34 HA ALA 5 HA ALA 5 9.071 6.241 -4.103
35 HB1 ALA 5 HB1 ALA 5 7.762 5.513 -1.696
36 HB2 ALA 5 HB2 ALA 5 8.467 7.069 -2.137
37 HB3 ALA 5 HB3 ALA 5 6.775 6.731 -2.503
38 H CYS 6 H CYS 6 7.116 3.845 -5.098
39 HA CYS 6 HA CYS 6 7.657 1.640 -3.489
40 HB2 CYS 6 HB2 CYS 6 6.737 0.375 -5.164
41 HB3 CYS 6 HB3 CYS 6 6.171 1.964 -5.669
42 H GLY 7 H GLY 7 9.728 3.399 -5.601
43 HA2 GLY 7 HA2 GLY 7 11.645 1.283 -5.985
44 HA3 GLY 7 HA3 GLY 7 11.855 2.974 -6.414
45 H LEU 8 H LEU 8 10.949 3.417 -3.441
46 HA LEU 8 HA LEU 8 13.677 3.459 -2.426
47 HB2 LEU 8 HB2 LEU 8 11.093 4.670 -1.483
48 HB3 LEU 8 HB3 LEU 8 12.561 4.705 -0.507
49 HG LEU 8 HG LEU 8 13.346 5.725 -2.971
50 HD11 LEU 8 HD11 LEU 8 10.535 6.483 -2.321
51 HD12 LEU 8 HD12 LEU 8 11.281 6.161 -3.886
52 HD13 LEU 8 HD13 LEU 8 11.618 7.674 -3.043
53 HD21 LEU 8 HD21 LEU 8 12.938 6.663 -0.224
54 HD22 LEU 8 HD22 LEU 8 12.914 7.936 -1.444
55 HD23 LEU 8 HD23 LEU 8 14.315 6.873 -1.305
56 H GLY 9 H GLY 9 13.234 0.931 -2.504
57 HA2 GLY 9 HA2 GLY 9 13.212 -0.985 -1.239
58 HA3 GLY 9 HA3 GLY 9 13.295 0.052 0.177
59 H CYS 10 H CYS 10 10.699 0.256 -2.155
60 HA CYS 10 HA CYS 10 8.901 -1.077 -0.246
61 HB2 CYS 10 HB2 CYS 10 8.558 1.286 0.065
62 HB3 CYS 10 HB3 CYS 10 8.445 1.548 -1.672
63 H HIS 11 H HIS 11 8.955 -2.939 -1.557
64 HA HIS 11 HA HIS 11 7.274 -2.719 -3.949
65 HB2 HIS 11 HB2 HIS 11 8.904 -4.715 -4.739
66 HB3 HIS 11 HB3 HIS 11 9.172 -3.026 -5.162
67 HD1 HIS 11 HD1 HIS 11 11.287 -1.954 -4.330
68 HD2 HIS 11 HD2 HIS 11 10.568 -5.651 -2.577
69 HE1 HIS 11 HE1 HIS 11 13.374 -2.503 -3.039
70 HA HYP 12 HA HYP 12 7.134 -4.590 -5.618
71 HB2 HYP 12 HB2 HYP 12 4.667 -5.417 -6.394
72 HB3 HYP 12 HB3 HYP 12 6.038 -6.519 -6.217
73 HG HYP 12 HG HYP 12 3.783 -5.981 -4.323
74 HD22 HYP 12 HD2 HYP 12 5.116 -6.257 -2.464
75 HD23 HYP 12 HD3 HYP 12 6.297 -7.252 -3.341
76 HD1 HYP 12 HOD HYP 12 5.327 -7.971 -4.505
77 H CYS 13 H CYS 13 5.845 -3.170 -7.056
78 HA CYS 13 HA CYS 13 4.699 -0.986 -5.513
79 HB2 CYS 13 HB2 CYS 13 4.981 -0.914 -8.491
80 HB3 CYS 13 HB3 CYS 13 5.158 0.390 -7.321
81 H CYS 14 H CYS 14 2.616 -0.002 -5.966
82 HA CYS 14 HA CYS 14 0.671 -1.914 -6.850
83 HB2 CYS 14 HB3 CYS 14 0.665 0.427 -5.239
84 HB3 CYS 14 HB2 CYS 14 -0.722 0.072 -6.025
85 HN1 NH2 15 1HN NH2 15 -0.327 -0.557 -9.859
86 HN2 NH2 15 2HN NH2 15 -0.389 -1.869 -8.729
Start of MODEL 28
1 H1 CYS 1 H CYS 1 0.856 0.688 0.410
2 HA CYS 1 HA CYS 1 3.212 -0.502 -0.833
3 HB2 CYS 1 HB2 CYS 1 2.125 -1.012 -2.901
4 HB3 CYS 1 HB3 CYS 1 1.182 -1.770 -1.622
5 H CYS 2 H CYS 2 4.181 0.805 -2.431
6 HA CYS 2 HA CYS 2 3.234 3.595 -2.420
7 HB2 CYS 2 HB2 CYS 2 6.077 2.824 -2.997
8 HB3 CYS 2 HB3 CYS 2 5.443 4.357 -2.405
9 H ARG 3 H ARG 3 3.374 4.801 -4.340
10 HA ARG 3 HA ARG 3 3.209 3.165 -6.749
11 HB2 ARG 3 HB2 ARG 3 2.585 6.097 -6.351
12 HB3 ARG 3 HB3 ARG 3 2.246 5.155 -7.797
13 HG2 ARG 3 HG2 ARG 3 0.999 3.697 -5.848
14 HG3 ARG 3 HG3 ARG 3 0.761 5.356 -5.298
15 HD2 ARG 3 HD2 ARG 3 -0.389 5.960 -7.236
16 HD3 ARG 3 HD3 ARG 3 0.230 4.581 -8.143
17 HE ARG 3 HE ARG 3 -1.305 3.609 -6.022
18 HH11 ARG 3 HH11 ARG 3 -1.716 5.422 -8.965
19 HH12 ARG 3 HH12 ARG 3 -3.341 4.880 -9.226
20 HH21 ARG 3 HH21 ARG 3 -3.444 2.889 -6.354
21 HH22 ARG 3 HH22 ARG 3 -4.323 3.440 -7.739
22 H LEU 4 H LEU 4 4.639 6.340 -5.958
23 HA LEU 4 HA LEU 4 6.630 5.939 -8.049
24 HB2 LEU 4 HB2 LEU 4 6.247 8.336 -6.268
25 HB3 LEU 4 HB3 LEU 4 7.176 8.254 -7.764
26 HG LEU 4 HG LEU 4 4.177 8.149 -7.474
27 HD11 LEU 4 HD11 LEU 4 5.275 10.370 -7.286
28 HD12 LEU 4 HD12 LEU 4 4.197 10.223 -8.674
29 HD13 LEU 4 HD13 LEU 4 5.943 10.130 -8.900
30 HD21 LEU 4 HD21 LEU 4 4.953 6.595 -9.213
31 HD22 LEU 4 HD22 LEU 4 5.846 7.911 -9.976
32 HD23 LEU 4 HD23 LEU 4 4.085 7.973 -9.891
33 H ALA 5 H ALA 5 6.409 6.321 -4.553
34 HA ALA 5 HA ALA 5 9.257 6.282 -4.161
35 HB1 ALA 5 HB1 ALA 5 7.905 5.623 -1.759
36 HB2 ALA 5 HB2 ALA 5 8.667 7.149 -2.208
37 HB3 ALA 5 HB3 ALA 5 6.968 6.868 -2.586
38 H CYS 6 H CYS 6 7.227 3.946 -5.150
39 HA CYS 6 HA CYS 6 7.677 1.739 -3.516
40 HB2 CYS 6 HB2 CYS 6 6.725 0.492 -5.187
41 HB3 CYS 6 HB3 CYS 6 6.221 2.095 -5.712
42 H GLY 7 H GLY 7 9.826 3.403 -5.627
43 HA2 GLY 7 HA2 GLY 7 11.669 1.218 -5.976
44 HA3 GLY 7 HA3 GLY 7 11.943 2.896 -6.419
45 H LEU 8 H LEU 8 11.029 3.400 -3.458
46 HA LEU 8 HA LEU 8 13.748 3.355 -2.420
47 HB2 LEU 8 HB2 LEU 8 11.207 4.714 -1.611
48 HB3 LEU 8 HB3 LEU 8 12.564 4.612 -0.491
49 HG LEU 8 HG LEU 8 13.254 5.659 -3.146
50 HD11 LEU 8 HD11 LEU 8 11.587 7.371 -1.317
51 HD12 LEU 8 HD12 LEU 8 10.947 6.570 -2.751
52 HD13 LEU 8 HD13 LEU 8 12.219 7.781 -2.912
53 HD21 LEU 8 HD21 LEU 8 13.756 7.250 -0.747
54 HD22 LEU 8 HD22 LEU 8 14.876 6.664 -1.977
55 HD23 LEU 8 HD23 LEU 8 14.384 5.604 -0.655
56 H GLY 9 H GLY 9 13.217 0.844 -2.478
57 HA2 GLY 9 HA2 GLY 9 13.117 -1.059 -1.196
58 HA3 GLY 9 HA3 GLY 9 13.225 -0.012 0.211
59 H CYS 10 H CYS 10 10.657 0.262 -2.145
60 HA CYS 10 HA CYS 10 8.797 -0.988 -0.237
61 HB2 CYS 10 HB2 CYS 10 8.536 1.389 0.048
62 HB3 CYS 10 HB3 CYS 10 8.446 1.637 -1.692
63 H HIS 11 H HIS 11 8.796 -2.864 -1.530
64 HA HIS 11 HA HIS 11 7.143 -2.608 -3.938
65 HB2 HIS 11 HB2 HIS 11 8.707 -4.667 -4.696
66 HB3 HIS 11 HB3 HIS 11 9.039 -2.993 -5.133
67 HD1 HIS 11 HD1 HIS 11 11.184 -1.988 -4.293
68 HD2 HIS 11 HD2 HIS 11 10.320 -5.641 -2.512
69 HE1 HIS 11 HE1 HIS 11 13.240 -2.598 -2.979
70 HA HYP 12 HA HYP 12 6.950 -4.489 -5.591
71 HB2 HYP 12 HB2 HYP 12 4.462 -5.236 -6.380
72 HB3 HYP 12 HB3 HYP 12 5.792 -6.383 -6.181
73 HG HYP 12 HG HYP 12 3.542 -5.748 -4.311
74 HD22 HYP 12 HD2 HYP 12 4.849 -6.053 -2.439
75 HD23 HYP 12 HD3 HYP 12 6.001 -7.097 -3.296
76 HD1 HYP 12 HOD HYP 12 5.016 -7.793 -4.462
77 H CYS 13 H CYS 13 5.723 -3.038 -7.053
78 HA CYS 13 HA CYS 13 4.644 -0.800 -5.540
79 HB2 CYS 13 HB2 CYS 13 4.952 -0.767 -8.516
80 HB3 CYS 13 HB3 CYS 13 5.166 0.541 -7.357
81 H CYS 14 H CYS 14 2.600 0.252 -6.019
82 HA CYS 14 HA CYS 14 0.596 -1.598 -6.902
83 HB2 CYS 14 HB3 CYS 14 0.660 0.757 -5.314
84 HB3 CYS 14 HB2 CYS 14 -0.732 0.443 -6.108
85 HN1 NH2 15 1HN NH2 15 -0.329 -0.237 -9.932
86 HN2 NH2 15 2HN NH2 15 -0.447 -1.535 -8.790
Start of MODEL 29
1 H1 CYS 1 H CYS 1 0.943 0.670 0.538
2 HA CYS 1 HA CYS 1 3.234 -0.543 -0.772
3 HB2 CYS 1 HB2 CYS 1 2.130 -1.027 -2.838
4 HB3 CYS 1 HB3 CYS 1 1.200 -1.804 -1.561
5 H CYS 2 H CYS 2 4.188 0.787 -2.360
6 HA CYS 2 HA CYS 2 3.235 3.575 -2.306
7 HB2 CYS 2 HB2 CYS 2 6.075 2.817 -2.917
8 HB3 CYS 2 HB3 CYS 2 5.444 4.340 -2.300
9 H ARG 3 H ARG 3 3.358 4.806 -4.211
10 HA ARG 3 HA ARG 3 3.175 3.201 -6.640
11 HB2 ARG 3 HB2 ARG 3 2.240 5.908 -5.813
12 HB3 ARG 3 HB3 ARG 3 2.521 5.618 -7.524
13 HG2 ARG 3 HG2 ARG 3 1.042 3.422 -6.612
14 HG3 ARG 3 HG3 ARG 3 0.298 4.850 -5.889
15 HD2 ARG 3 HD2 ARG 3 -0.096 5.834 -7.992
16 HD3 ARG 3 HD3 ARG 3 0.992 4.713 -8.809
17 HE ARG 3 HE ARG 3 -0.718 3.194 -8.933
18 HH11 ARG 3 HH11 ARG 3 -1.561 5.688 -6.655
19 HH12 ARG 3 HH12 ARG 3 -3.196 5.147 -6.470
20 HH21 ARG 3 HH21 ARG 3 -2.869 2.472 -8.697
21 HH22 ARG 3 HH22 ARG 3 -3.939 3.318 -7.631
22 H LEU 4 H LEU 4 4.606 6.368 -5.819
23 HA LEU 4 HA LEU 4 6.581 5.998 -7.932
24 HB2 LEU 4 HB2 LEU 4 5.582 8.292 -6.332
25 HB3 LEU 4 HB3 LEU 4 7.225 8.382 -6.965
26 HG LEU 4 HG LEU 4 6.419 8.221 -9.226
27 HD11 LEU 4 HD11 LEU 4 4.568 6.663 -8.802
28 HD12 LEU 4 HD12 LEU 4 4.064 8.050 -9.767
29 HD13 LEU 4 HD13 LEU 4 3.653 7.972 -8.054
30 HD21 LEU 4 HD21 LEU 4 4.690 10.185 -7.730
31 HD22 LEU 4 HD22 LEU 4 5.239 10.300 -9.403
32 HD23 LEU 4 HD23 LEU 4 6.401 10.430 -8.082
33 H ALA 5 H ALA 5 6.388 6.334 -4.430
34 HA ALA 5 HA ALA 5 9.239 6.295 -4.062
35 HB1 ALA 5 HB1 ALA 5 7.908 5.603 -1.657
36 HB2 ALA 5 HB2 ALA 5 8.664 7.136 -2.094
37 HB3 ALA 5 HB3 ALA 5 6.962 6.857 -2.461
38 H CYS 6 H CYS 6 7.205 3.969 -5.065
39 HA CYS 6 HA CYS 6 7.672 1.742 -3.463
40 HB2 CYS 6 HB2 CYS 6 6.709 0.514 -5.142
41 HB3 CYS 6 HB3 CYS 6 6.197 2.123 -5.642
42 H GLY 7 H GLY 7 9.801 3.437 -5.570
43 HA2 GLY 7 HA2 GLY 7 11.645 1.259 -5.962
44 HA3 GLY 7 HA3 GLY 7 11.912 2.944 -6.385
45 H LEU 8 H LEU 8 11.022 3.407 -3.411
46 HA LEU 8 HA LEU 8 13.750 3.355 -2.397
47 HB2 LEU 8 HB2 LEU 8 11.212 4.694 -1.540
48 HB3 LEU 8 HB3 LEU 8 12.589 4.589 -0.444
49 HG LEU 8 HG LEU 8 13.912 5.713 -2.354
50 HD11 LEU 8 HD11 LEU 8 11.094 5.991 -3.279
51 HD12 LEU 8 HD12 LEU 8 12.565 5.709 -4.209
52 HD13 LEU 8 HD13 LEU 8 12.227 7.313 -3.560
53 HD21 LEU 8 HD21 LEU 8 11.972 7.670 -1.331
54 HD22 LEU 8 HD22 LEU 8 13.730 7.625 -1.185
55 HD23 LEU 8 HD23 LEU 8 12.729 6.651 -0.107
56 H GLY 9 H GLY 9 13.222 0.843 -2.482
57 HA2 GLY 9 HA2 GLY 9 13.136 -1.076 -1.224
58 HA3 GLY 9 HA3 GLY 9 13.255 -0.047 0.195
59 H CYS 10 H CYS 10 10.666 0.253 -2.135
60 HA CYS 10 HA CYS 10 8.824 -1.026 -0.229
61 HB2 CYS 10 HB2 CYS 10 8.562 1.347 0.090
62 HB3 CYS 10 HB3 CYS 10 8.457 1.618 -1.647
63 H HIS 11 H HIS 11 8.816 -2.885 -1.546
64 HA HIS 11 HA HIS 11 7.142 -2.600 -3.937
65 HB2 HIS 11 HB2 HIS 11 8.704 -4.647 -4.734
66 HB3 HIS 11 HB3 HIS 11 9.029 -2.967 -5.152
67 HD1 HIS 11 HD1 HIS 11 11.178 -1.966 -4.313
68 HD2 HIS 11 HD2 HIS 11 10.339 -5.648 -2.580
69 HE1 HIS 11 HE1 HIS 11 13.246 -2.590 -3.026
70 HA HYP 12 HA HYP 12 6.939 -4.460 -5.612
71 HB2 HYP 12 HB2 HYP 12 4.446 -5.201 -6.390
72 HB3 HYP 12 HB3 HYP 12 5.779 -6.349 -6.216
73 HG HYP 12 HG HYP 12 3.543 -5.741 -4.320
74 HD22 HYP 12 HD2 HYP 12 4.867 -6.068 -2.463
75 HD23 HYP 12 HD3 HYP 12 6.014 -7.099 -3.343
76 HD1 HYP 12 HOD HYP 12 5.020 -7.782 -4.510
77 H CYS 13 H CYS 13 5.698 -2.993 -7.045
78 HA CYS 13 HA CYS 13 4.627 -0.776 -5.494
79 HB2 CYS 13 HB2 CYS 13 4.910 -0.704 -8.472
80 HB3 CYS 13 HB3 CYS 13 5.132 0.589 -7.298
81 H CYS 14 H CYS 14 2.578 0.278 -5.943
82 HA CYS 14 HA CYS 14 0.569 -1.564 -6.833
83 HB2 CYS 14 HB3 CYS 14 0.642 0.770 -5.214
84 HB3 CYS 14 HB2 CYS 14 -0.756 0.464 -6.001
85 HN1 NH2 15 1HN NH2 15 -0.383 -0.165 -9.837
86 HN2 NH2 15 2HN NH2 15 -0.489 -1.477 -8.712
Start of MODEL 30
1 H1 CYS 1 H CYS 1 0.988 0.754 0.565
2 HA CYS 1 HA CYS 1 3.234 -0.505 -0.758
3 HB2 CYS 1 HB2 CYS 1 2.123 -1.008 -2.816
4 HB3 CYS 1 HB3 CYS 1 1.194 -1.767 -1.528
5 H CYS 2 H CYS 2 4.188 0.804 -2.363
6 HA CYS 2 HA CYS 2 3.246 3.596 -2.336
7 HB2 CYS 2 HB2 CYS 2 6.082 2.821 -2.946
8 HB3 CYS 2 HB3 CYS 2 5.457 4.353 -2.344
9 H ARG 3 H ARG 3 3.368 4.806 -4.255
10 HA ARG 3 HA ARG 3 3.174 3.175 -6.666
11 HB2 ARG 3 HB2 ARG 3 2.265 5.907 -5.878
12 HB3 ARG 3 HB3 ARG 3 2.514 5.568 -7.585
13 HG2 ARG 3 HG2 ARG 3 1.020 3.427 -6.481
14 HG3 ARG 3 HG3 ARG 3 0.280 4.943 -5.962
15 HD2 ARG 3 HD2 ARG 3 0.085 5.691 -8.234
16 HD3 ARG 3 HD3 ARG 3 1.010 4.307 -8.816
17 HE ARG 3 HE ARG 3 -0.886 3.023 -8.687
18 HH11 ARG 3 HH11 ARG 3 -1.389 6.004 -6.960
19 HH12 ARG 3 HH12 ARG 3 -3.084 5.735 -6.726
20 HH21 ARG 3 HH21 ARG 3 -3.117 2.657 -8.385
21 HH22 ARG 3 HH22 ARG 3 -4.066 3.830 -7.536
22 H LEU 4 H LEU 4 4.618 6.346 -5.883
23 HA LEU 4 HA LEU 4 6.586 5.946 -7.997
24 HB2 LEU 4 HB2 LEU 4 6.214 8.339 -6.207
25 HB3 LEU 4 HB3 LEU 4 7.145 8.261 -7.701
26 HG LEU 4 HG LEU 4 4.145 8.158 -7.415
27 HD11 LEU 4 HD11 LEU 4 4.168 10.235 -8.608
28 HD12 LEU 4 HD12 LEU 4 5.915 10.142 -8.832
29 HD13 LEU 4 HD13 LEU 4 5.244 10.377 -7.218
30 HD21 LEU 4 HD21 LEU 4 4.054 7.988 -9.832
31 HD22 LEU 4 HD22 LEU 4 4.921 6.608 -9.158
32 HD23 LEU 4 HD23 LEU 4 5.814 7.927 -9.917
33 H ALA 5 H ALA 5 6.403 6.321 -4.498
34 HA ALA 5 HA ALA 5 9.255 6.275 -4.137
35 HB1 ALA 5 HB1 ALA 5 7.928 5.614 -1.722
36 HB2 ALA 5 HB2 ALA 5 8.689 7.139 -2.176
37 HB3 ALA 5 HB3 ALA 5 6.984 6.863 -2.536
38 H CYS 6 H CYS 6 7.210 3.946 -5.109
39 HA CYS 6 HA CYS 6 7.674 1.734 -3.485
40 HB2 CYS 6 HB2 CYS 6 6.702 0.492 -5.148
41 HB3 CYS 6 HB3 CYS 6 6.194 2.097 -5.664
42 H GLY 7 H GLY 7 9.803 3.400 -5.616
43 HA2 GLY 7 HA2 GLY 7 11.638 1.211 -5.989
44 HA3 GLY 7 HA3 GLY 7 11.910 2.890 -6.431
45 H LEU 8 H LEU 8 11.030 3.388 -3.459
46 HA LEU 8 HA LEU 8 13.760 3.337 -2.452
47 HB2 LEU 8 HB2 LEU 8 11.229 4.696 -1.606
48 HB3 LEU 8 HB3 LEU 8 12.605 4.594 -0.509
49 HG LEU 8 HG LEU 8 13.691 5.593 -2.856
50 HD11 LEU 8 HD11 LEU 8 11.264 7.249 -2.316
51 HD12 LEU 8 HD12 LEU 8 11.191 5.913 -3.464
52 HD13 LEU 8 HD13 LEU 8 12.324 7.238 -3.725
53 HD21 LEU 8 HD21 LEU 8 12.834 6.812 -0.255
54 HD22 LEU 8 HD22 LEU 8 13.618 7.778 -1.505
55 HD23 LEU 8 HD23 LEU 8 14.457 6.392 -0.805
56 H GLY 9 H GLY 9 13.223 0.826 -2.509
57 HA2 GLY 9 HA2 GLY 9 13.133 -1.079 -1.230
58 HA3 GLY 9 HA3 GLY 9 13.259 -0.035 0.178
59 H CYS 10 H CYS 10 10.666 0.249 -2.149
60 HA CYS 10 HA CYS 10 8.824 -1.003 -0.225
61 HB2 CYS 10 HB2 CYS 10 8.571 1.374 0.069
62 HB3 CYS 10 HB3 CYS 10 8.463 1.627 -1.670
63 H HIS 11 H HIS 11 8.806 -2.875 -1.522
64 HA HIS 11 HA HIS 11 7.127 -2.611 -3.911
65 HB2 HIS 11 HB2 HIS 11 8.680 -4.671 -4.690
66 HB3 HIS 11 HB3 HIS 11 9.009 -2.997 -5.127
67 HD1 HIS 11 HD1 HIS 11 11.165 -1.998 -4.309
68 HD2 HIS 11 HD2 HIS 11 10.314 -5.653 -2.526
69 HE1 HIS 11 HE1 HIS 11 13.234 -2.614 -3.019
70 HA HYP 12 HA HYP 12 6.913 -4.487 -5.566
71 HB2 HYP 12 HB2 HYP 12 4.415 -5.228 -6.329
72 HB3 HYP 12 HB3 HYP 12 5.744 -6.379 -6.147
73 HG HYP 12 HG HYP 12 3.516 -5.743 -4.252
74 HD22 HYP 12 HD2 HYP 12 4.844 -6.055 -2.394
75 HD23 HYP 12 HD3 HYP 12 5.984 -7.099 -3.266
76 HD1 HYP 12 HOD HYP 12 4.985 -7.791 -4.423
77 H CYS 13 H CYS 13 5.673 -3.032 -7.012
78 HA CYS 13 HA CYS 13 4.614 -0.795 -5.482
79 HB2 CYS 13 HB2 CYS 13 4.890 -0.755 -8.461
80 HB3 CYS 13 HB3 CYS 13 5.119 0.550 -7.301
81 H CYS 14 H CYS 14 2.567 0.262 -5.936
82 HA CYS 14 HA CYS 14 0.550 -1.582 -6.801
83 HB2 CYS 14 HB3 CYS 14 0.636 0.769 -5.208
84 HB3 CYS 14 HB2 CYS 14 -0.766 0.460 -5.988
85 HN1 NH2 15 1HN NH2 15 -0.405 -0.213 -9.817
86 HN2 NH2 15 2HN NH2 15 -0.513 -1.513 -8.678
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