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 |
|
|
571570 |
2mfx   |
19577 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -7.250 0.515 -4.500
2 H2 GLY 1 2HT GLY 1 -7.880 0.270 -2.944
3 H3 GLY 1 3HT GLY 1 -8.893 0.166 -4.299
4 HA2 GLY 1 2HA GLY 1 -8.475 -2.048 -3.649
5 HA3 GLY 1 1HA GLY 1 -7.497 -1.747 -5.084
6 H ABA 2 H ABA 2 -5.289 -1.771 -4.933
7 HA ABA 2 HA ABA 2 -3.927 -3.302 -3.169
8 HB3 ABA 2 1HB ABA 2 -3.239 -1.308 -5.139
9 HB2 ABA 2 2HB ABA 2 -2.379 -2.773 -4.694
10 HG1 ABA 2 HG ABA 2 -1.917 0.006 -3.616
11 H CYS 3 H CYS 3 -4.530 0.191 -2.671
12 HA CYS 3 HA CYS 3 -2.952 0.425 -0.347
13 HB2 CYS 3 2HB CYS 3 -4.646 2.122 -1.814
14 HB3 CYS 3 1HB CYS 3 -5.276 2.121 -0.170
15 H SER 4 H SER 4 -5.959 -1.104 -0.886
16 HA SER 4 HA SER 4 -6.619 -1.200 1.980
17 HB2 SER 4 2HB SER 4 -8.428 -0.737 0.353
18 HB3 SER 4 1HB SER 4 -8.119 -2.294 -0.408
19 HG SER 4 HG SER 4 -8.389 -3.086 1.911
20 H ASP 5 H ASP 5 -4.560 -2.748 0.035
21 HA ASP 5 HA ASP 5 -5.047 -5.402 1.249
22 HB2 ASP 5 2HB ASP 5 -5.151 -5.145 -1.311
23 HB3 ASP 5 1HB ASP 5 -3.410 -4.911 -1.234
24 HA PRO 6 HA PRO 6 -1.380 -4.445 3.655
25 HB2 PRO 6 2HB PRO 6 -1.315 -7.429 3.826
26 HB3 PRO 6 1HB PRO 6 -1.238 -6.225 5.127
27 HG2 PRO 6 2HG PRO 6 -3.450 -7.644 4.653
28 HG3 PRO 6 1HG PRO 6 -3.514 -5.961 5.203
29 HD2 PRO 6 2HD PRO 6 -4.098 -7.079 2.503
30 HD3 PRO 6 1HD PRO 6 -4.754 -5.627 3.295
31 H ARG 7 H ARG 7 -1.598 -6.765 1.035
32 HA ARG 7 HA ARG 7 1.190 -7.227 0.706
33 HB2 ARG 7 2HB ARG 7 -0.616 -8.692 -0.211
34 HB3 ARG 7 1HB ARG 7 -0.999 -7.428 -1.376
35 HG2 ARG 7 2HG ARG 7 1.840 -8.366 -1.160
36 HG3 ARG 7 1HG ARG 7 0.676 -9.389 -2.005
37 HD2 ARG 7 2HD ARG 7 0.115 -6.868 -3.005
38 HD3 ARG 7 1HD ARG 7 1.868 -6.838 -2.838
39 HE ARG 7 HE ARG 7 0.414 -8.265 -4.811
40 HH11 ARG 7 1HH2 ARG 7 3.035 -8.620 -2.626
41 HH12 ARG 7 2HH2 ARG 7 3.900 -9.729 -3.626
42 HH21 ARG 7 1HH1 ARG 7 1.539 -9.717 -6.105
43 HH22 ARG 7 2HH1 ARG 7 3.061 -10.335 -5.574
44 H ABA 8 H ABA 8 -1.055 -4.866 -0.697
45 HA ABA 8 HA ABA 8 1.121 -3.699 -2.281
46 HB3 ABA 8 1HB ABA 8 -1.847 -3.389 -2.188
47 HB2 ABA 8 2HB ABA 8 -0.785 -3.604 -3.576
48 HG1 ABA 8 HG ABA 8 -0.066 -1.060 -2.500
49 H ASN 9 H ASN 9 -1.143 -2.704 0.273
50 HA ASN 9 HA ASN 9 -0.394 -0.132 0.797
51 HB2 ASN 9 2HB ASN 9 -2.040 -1.748 2.038
52 HB3 ASN 9 1HB ASN 9 -0.667 -2.045 3.099
53 HD21 ASN 9 1HD2 ASN 9 -3.329 -0.035 2.687
54 HD22 ASN 9 2HD2 ASN 9 -2.802 1.263 3.643
55 H TYR 10 H TYR 10 1.396 -3.051 1.804
56 HA TYR 10 HA TYR 10 3.441 -1.429 3.121
57 HB2 TYR 10 2HB TYR 10 3.326 -4.417 2.660
58 HB3 TYR 10 1HB TYR 10 4.445 -3.569 3.728
59 HD1 TYR 10 2HD TYR 10 2.267 -1.453 4.580
60 HD2 TYR 10 1HD TYR 10 2.363 -5.742 4.470
61 HE1 TYR 10 2HE TYR 10 0.591 -1.537 6.405
62 HE2 TYR 10 1HE TYR 10 0.683 -5.821 6.292
63 HH TYR 10 HH TYR 10 -0.717 -4.644 7.543
64 H ASP 11 H ASP 11 2.901 -2.793 0.027
65 HA ASP 11 HA ASP 11 5.732 -2.743 -0.713
66 HB2 ASP 11 2HB ASP 11 3.250 -3.836 -1.851
67 HB3 ASP 11 1HB ASP 11 4.339 -3.141 -3.045
68 H HIS 12 H HIS 12 2.853 -0.804 -1.012
69 HA HIS 12 HA HIS 12 4.389 1.219 -2.546
70 HB2 HIS 12 2HB HIS 12 1.395 0.794 -2.613
71 HB3 HIS 12 1HB HIS 12 2.328 1.901 -3.613
72 HD2 HIS 12 2HD HIS 12 2.031 -2.040 -3.177
73 HE1 HIS 12 1HE HIS 12 3.360 -1.171 -7.088
74 HE2 HIS 12 2HE HIS 12 2.634 -3.035 -5.518
75 HA PRO 13 HA PRO 13 2.668 2.588 1.836
76 HB2 PRO 13 2HB PRO 13 5.550 3.399 1.932
77 HB3 PRO 13 1HB PRO 13 4.507 2.794 3.232
78 HG2 PRO 13 2HG PRO 13 6.341 1.246 2.034
79 HG3 PRO 13 1HG PRO 13 4.807 0.608 2.645
80 HD2 PRO 13 2HD PRO 13 5.682 0.989 -0.156
81 HD3 PRO 13 1HD PRO 13 4.428 -0.078 0.505
82 H GLU 14 H GLU 14 4.882 3.919 -0.545
83 HA GLU 14 HA GLU 14 4.742 6.634 -0.133
84 HB2 GLU 14 2HB GLU 14 6.102 5.437 -1.867
85 HB3 GLU 14 1HB GLU 14 4.638 5.268 -2.835
86 HG2 GLU 14 2HG GLU 14 5.625 7.223 -3.695
87 HG3 GLU 14 1HG GLU 14 4.427 7.846 -2.565
88 H ILE 15 H ILE 15 2.328 4.543 -1.643
89 HA ILE 15 HA ILE 15 0.619 6.830 -2.285
90 HB ILE 15 HB ILE 15 -0.571 5.423 -3.664
91 HG12 ILE 15 2HG1 ILE 15 0.201 3.151 -1.810
92 HG13 ILE 15 1HG1 ILE 15 -1.398 3.868 -1.992
93 HG21 ILE 15 1HG2 ILE 15 1.890 5.379 -4.250
94 HG22 ILE 15 2HG2 ILE 15 0.975 3.992 -4.842
95 HG23 ILE 15 3HG2 ILE 15 1.992 3.830 -3.413
96 HD11 ILE 15 3HD1 ILE 15 -1.797 2.278 -3.542
97 HD12 ILE 15 1HD1 ILE 15 -0.098 1.818 -3.609
98 HD13 ILE 15 2HD1 ILE 15 -0.684 3.159 -4.588
99 H CYS 16 H CYS 16 0.577 3.976 -0.179
100 HA CYS 16 HA CYS 16 -1.986 4.524 0.959
101 HB2 CYS 16 2HB CYS 16 0.267 2.665 1.527
102 HB3 CYS 16 1HB CYS 16 -0.890 2.961 2.818
103 HN1 NH2 17 2H CYS 16 0.784 6.527 3.159
104 HN2 NH2 17 1H CYS 16 1.273 5.621 1.807
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -6.634 1.804 -4.532
2 H2 GLY 1 2HT GLY 1 -8.258 1.531 -4.939
3 H3 GLY 1 3HT GLY 1 -7.051 1.378 -6.121
4 HA2 GLY 1 2HA GLY 1 -7.933 -0.504 -4.119
5 HA3 GLY 1 1HA GLY 1 -7.153 -0.800 -5.670
6 H ABA 2 H ABA 2 -5.950 -2.403 -4.335
7 HA ABA 2 HA ABA 2 -4.021 -3.137 -3.357
8 HB3 ABA 2 1HB ABA 2 -3.331 -0.741 -4.806
9 HB2 ABA 2 2HB ABA 2 -2.404 -2.216 -4.593
10 HG1 ABA 2 HG ABA 2 -1.973 0.339 -3.218
11 H CYS 3 H CYS 3 -4.741 0.177 -2.247
12 HA CYS 3 HA CYS 3 -3.489 0.017 0.260
13 HB2 CYS 3 2HB CYS 3 -5.088 1.880 -1.098
14 HB3 CYS 3 1HB CYS 3 -5.932 1.555 0.412
15 H SER 4 H SER 4 -6.097 -1.774 -0.859
16 HA SER 4 HA SER 4 -7.593 -1.988 1.579
17 HB2 SER 4 2HB SER 4 -8.651 -2.430 -0.556
18 HB3 SER 4 1HB SER 4 -7.516 -3.741 -0.874
19 HG SER 4 HG SER 4 -8.423 -4.929 0.737
20 H ASP 5 H ASP 5 -5.263 -4.125 -0.065
21 HA ASP 5 HA ASP 5 -5.093 -5.753 2.384
22 HB2 ASP 5 2HB ASP 5 -5.065 -6.379 -0.406
23 HB3 ASP 5 1HB ASP 5 -3.514 -6.848 0.276
24 HA PRO 6 HA PRO 6 -1.194 -4.097 3.581
25 HB2 PRO 6 2HB PRO 6 0.047 -6.478 4.362
26 HB3 PRO 6 1HB PRO 6 -1.021 -5.494 5.382
27 HG2 PRO 6 2HG PRO 6 -1.633 -7.944 3.809
28 HG3 PRO 6 1HG PRO 6 -2.234 -7.445 5.400
29 HD2 PRO 6 2HD PRO 6 -3.771 -7.222 3.204
30 HD3 PRO 6 1HD PRO 6 -3.827 -5.994 4.491
31 H ARG 7 H ARG 7 -1.312 -6.914 1.472
32 HA ARG 7 HA ARG 7 1.253 -7.183 0.552
33 HB2 ARG 7 2HB ARG 7 -0.980 -8.333 -0.223
34 HB3 ARG 7 1HB ARG 7 -0.990 -7.073 -1.454
35 HG2 ARG 7 2HG ARG 7 1.145 -9.177 -0.980
36 HG3 ARG 7 1HG ARG 7 0.149 -8.962 -2.421
37 HD2 ARG 7 2HD ARG 7 1.208 -6.618 -2.582
38 HD3 ARG 7 1HD ARG 7 2.392 -7.212 -1.417
39 HE ARG 7 HE ARG 7 2.148 -9.021 -3.619
40 HH11 ARG 7 1HH2 ARG 7 3.383 -5.967 -2.666
41 HH12 ARG 7 2HH2 ARG 7 4.701 -5.984 -3.788
42 HH21 ARG 7 1HH1 ARG 7 3.832 -9.048 -5.087
43 HH22 ARG 7 2HH1 ARG 7 4.956 -7.737 -5.146
44 H ABA 8 H ABA 8 -1.149 -4.867 -0.744
45 HA ABA 8 HA ABA 8 0.925 -3.516 -2.267
46 HB3 ABA 8 1HB ABA 8 -2.030 -3.282 -2.005
47 HB2 ABA 8 2HB ABA 8 -1.020 -3.221 -3.447
48 HG1 ABA 8 HG ABA 8 -0.406 -0.861 -1.894
49 H ASN 9 H ASN 9 -1.215 -2.662 0.441
50 HA ASN 9 HA ASN 9 -0.392 -0.175 1.137
51 HB2 ASN 9 2HB ASN 9 -1.778 -2.226 2.407
52 HB3 ASN 9 1HB ASN 9 -0.438 -1.895 3.500
53 HD21 ASN 9 1HD2 ASN 9 -3.558 -0.895 2.725
54 HD22 ASN 9 2HD2 ASN 9 -3.497 0.649 3.423
55 H TYR 10 H TYR 10 1.381 -3.174 1.895
56 HA TYR 10 HA TYR 10 3.493 -1.792 3.290
57 HB2 TYR 10 2HB TYR 10 2.983 -4.599 2.403
58 HB3 TYR 10 1HB TYR 10 4.634 -4.133 2.811
59 HD1 TYR 10 1HD TYR 10 1.133 -4.048 4.112
60 HD2 TYR 10 2HD TYR 10 5.319 -4.009 5.055
61 HE1 TYR 10 1HE TYR 10 0.592 -4.270 6.527
62 HE2 TYR 10 2HE TYR 10 4.775 -4.231 7.470
63 HH TYR 10 HH TYR 10 2.362 -5.332 8.706
64 H ASP 11 H ASP 11 3.150 -3.229 0.063
65 HA ASP 11 HA ASP 11 5.821 -2.553 -0.735
66 HB2 ASP 11 2HB ASP 11 4.100 -4.379 -1.625
67 HB3 ASP 11 1HB ASP 11 3.715 -3.098 -2.767
68 H HIS 12 H HIS 12 2.738 -0.925 -0.889
69 HA HIS 12 HA HIS 12 3.962 1.219 -2.531
70 HB2 HIS 12 2HB HIS 12 1.046 0.503 -2.144
71 HB3 HIS 12 1HB HIS 12 1.641 1.857 -3.102
72 HD2 HIS 12 2HD HIS 12 1.904 -2.094 -3.211
73 HE1 HIS 12 1HE HIS 12 2.693 -0.564 -7.062
74 HE2 HIS 12 2HE HIS 12 2.394 -2.693 -5.709
75 HA PRO 13 HA PRO 13 3.229 2.939 1.792
76 HB2 PRO 13 2HB PRO 13 5.744 4.017 2.055
77 HB3 PRO 13 1HB PRO 13 5.314 2.384 2.596
78 HG2 PRO 13 2HG PRO 13 6.721 3.243 0.117
79 HG3 PRO 13 1HG PRO 13 7.020 1.847 1.165
80 HD2 PRO 13 2HD PRO 13 5.699 1.628 -1.209
81 HD3 PRO 13 1HD PRO 13 5.357 0.568 0.178
82 H GLU 14 H GLU 14 5.040 4.220 -0.963
83 HA GLU 14 HA GLU 14 4.711 6.964 -0.492
84 HB2 GLU 14 2HB GLU 14 4.639 6.598 -3.298
85 HB3 GLU 14 1HB GLU 14 6.035 7.002 -2.303
86 HG2 GLU 14 2HG GLU 14 6.488 4.598 -1.945
87 HG3 GLU 14 1HG GLU 14 5.076 4.180 -2.915
88 H ILE 15 H ILE 15 2.454 4.586 -1.617
89 HA ILE 15 HA ILE 15 0.565 6.690 -2.440
90 HB ILE 15 HB ILE 15 -0.361 5.230 -3.899
91 HG12 ILE 15 2HG1 ILE 15 0.196 2.948 -1.977
92 HG13 ILE 15 1HG1 ILE 15 -1.334 3.815 -2.107
93 HG21 ILE 15 1HG2 ILE 15 2.202 3.742 -3.267
94 HG22 ILE 15 2HG2 ILE 15 2.030 5.070 -4.415
95 HG23 ILE 15 3HG2 ILE 15 1.237 3.524 -4.725
96 HD11 ILE 15 3HD1 ILE 15 -1.961 2.506 -3.823
97 HD12 ILE 15 1HD1 ILE 15 -0.472 1.582 -3.635
98 HD13 ILE 15 2HD1 ILE 15 -0.518 2.959 -4.731
99 H CYS 16 H CYS 16 0.683 3.775 -0.371
100 HA CYS 16 HA CYS 16 -1.857 4.425 0.853
101 HB2 CYS 16 2HB CYS 16 0.192 2.268 1.220
102 HB3 CYS 16 1HB CYS 16 -1.087 2.496 2.406
103 HN1 NH2 17 2H CYS 16 1.189 5.766 3.191
104 HN2 NH2 17 1H CYS 16 1.529 5.036 1.695
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -8.351 -3.329 -2.346
2 H2 GLY 1 2HT GLY 1 -9.393 -3.336 -3.687
3 H3 GLY 1 3HT GLY 1 -9.263 -1.949 -2.718
4 HA2 GLY 1 2HA GLY 1 -7.528 -2.911 -4.839
5 HA3 GLY 1 1HA GLY 1 -7.863 -1.259 -4.326
6 H ABA 2 H ABA 2 -5.269 -2.007 -4.877
7 HA ABA 2 HA ABA 2 -3.668 -3.050 -2.896
8 HB3 ABA 2 1HB ABA 2 -3.271 -1.032 -5.044
9 HB2 ABA 2 2HB ABA 2 -2.442 -2.555 -4.770
10 HG1 ABA 2 HG ABA 2 -1.476 0.054 -3.984
11 H CYS 3 H CYS 3 -4.800 0.334 -3.110
12 HA CYS 3 HA CYS 3 -3.425 1.263 -0.833
13 HB2 CYS 3 2HB CYS 3 -5.188 2.386 -2.680
14 HB3 CYS 3 1HB CYS 3 -6.014 2.538 -1.131
15 H SER 4 H SER 4 -5.785 -1.047 -1.030
16 HA SER 4 HA SER 4 -6.475 -0.718 1.827
17 HB2 SER 4 2HB SER 4 -8.406 -0.170 0.381
18 HB3 SER 4 1HB SER 4 -8.277 -1.758 -0.366
19 HG SER 4 HG SER 4 -8.372 -2.505 1.963
20 H ASP 5 H ASP 5 -4.573 -2.387 -0.054
21 HA ASP 5 HA ASP 5 -5.249 -5.022 1.108
22 HB2 ASP 5 2HB ASP 5 -5.123 -4.529 -1.514
23 HB3 ASP 5 1HB ASP 5 -3.413 -4.817 -1.227
24 HA PRO 6 HA PRO 6 -1.524 -4.566 3.484
25 HB2 PRO 6 2HB PRO 6 -1.175 -7.265 4.043
26 HB3 PRO 6 1HB PRO 6 -2.240 -6.170 4.946
27 HG2 PRO 6 2HG PRO 6 -2.911 -8.145 2.830
28 HG3 PRO 6 1HG PRO 6 -3.815 -7.692 4.284
29 HD2 PRO 6 2HD PRO 6 -4.507 -6.799 1.813
30 HD3 PRO 6 1HD PRO 6 -4.766 -5.827 3.280
31 H ARG 7 H ARG 7 -1.800 -6.740 0.736
32 HA ARG 7 HA ARG 7 1.028 -7.269 0.568
33 HB2 ARG 7 2HB ARG 7 -1.315 -8.275 -0.672
34 HB3 ARG 7 1HB ARG 7 -0.280 -7.654 -1.958
35 HG2 ARG 7 2HG ARG 7 0.687 -9.511 0.242
36 HG3 ARG 7 1HG ARG 7 0.181 -10.059 -1.357
37 HD2 ARG 7 2HD ARG 7 2.463 -9.828 -1.706
38 HD3 ARG 7 1HD ARG 7 1.902 -8.226 -2.182
39 HE ARG 7 HE ARG 7 2.586 -8.445 0.633
40 HH11 ARG 7 1HH2 ARG 7 3.753 -7.867 -2.552
41 HH12 ARG 7 2HH2 ARG 7 5.066 -6.858 -2.020
42 HH21 ARG 7 1HH1 ARG 7 4.314 -7.187 1.297
43 HH22 ARG 7 2HH1 ARG 7 5.382 -6.500 0.120
44 H ABA 8 H ABA 8 -1.097 -4.773 -0.537
45 HA ABA 8 HA ABA 8 0.915 -3.709 -2.393
46 HB3 ABA 8 1HB ABA 8 -1.960 -3.057 -1.795
47 HB2 ABA 8 2HB ABA 8 -1.235 -3.545 -3.325
48 HG1 ABA 8 HG ABA 8 -0.054 -1.013 -2.397
49 H ASN 9 H ASN 9 -1.116 -2.323 0.188
50 HA ASN 9 HA ASN 9 0.158 0.033 0.694
51 HB2 ASN 9 2HB ASN 9 -1.455 -1.852 2.270
52 HB3 ASN 9 1HB ASN 9 -0.419 -0.814 3.243
53 HD21 ASN 9 1HD2 ASN 9 -3.439 -0.937 1.822
54 HD22 ASN 9 2HD2 ASN 9 -3.752 0.729 1.732
55 H TYR 10 H TYR 10 1.335 -3.169 1.614
56 HA TYR 10 HA TYR 10 3.381 -2.145 3.377
57 HB2 TYR 10 2HB TYR 10 2.725 -4.849 2.243
58 HB3 TYR 10 1HB TYR 10 4.251 -4.577 3.081
59 HD1 TYR 10 1HD TYR 10 0.685 -3.484 3.606
60 HD2 TYR 10 2HD TYR 10 4.208 -5.265 5.297
61 HE1 TYR 10 1HE TYR 10 -0.470 -3.697 5.791
62 HE2 TYR 10 2HE TYR 10 3.047 -5.479 7.480
63 HH TYR 10 HH TYR 10 1.225 -4.583 8.681
64 H ASP 11 H ASP 11 3.211 -3.133 0.003
65 HA ASP 11 HA ASP 11 6.088 -2.742 -0.348
66 HB2 ASP 11 2HB ASP 11 4.067 -4.299 -1.647
67 HB3 ASP 11 1HB ASP 11 4.792 -3.215 -2.833
68 H HIS 12 H HIS 12 3.116 -1.054 -0.814
69 HA HIS 12 HA HIS 12 4.498 1.017 -2.420
70 HB2 HIS 12 2HB HIS 12 1.545 0.433 -2.087
71 HB3 HIS 12 1HB HIS 12 2.200 1.789 -3.002
72 HD2 HIS 12 2HD HIS 12 2.449 -2.176 -3.199
73 HE1 HIS 12 1HE HIS 12 2.985 -0.537 -7.054
74 HE2 HIS 12 2HE HIS 12 2.817 -2.704 -5.736
75 HA PRO 13 HA PRO 13 3.859 2.864 1.791
76 HB2 PRO 13 2HB PRO 13 6.356 3.857 2.118
77 HB3 PRO 13 1HB PRO 13 5.968 2.157 2.456
78 HG2 PRO 13 2HG PRO 13 7.274 3.356 0.052
79 HG3 PRO 13 1HG PRO 13 7.680 1.872 0.933
80 HD2 PRO 13 2HD PRO 13 6.237 1.887 -1.407
81 HD3 PRO 13 1HD PRO 13 6.082 0.624 -0.166
82 H GLU 14 H GLU 14 4.505 3.995 -1.313
83 HA GLU 14 HA GLU 14 4.677 6.816 -0.576
84 HB2 GLU 14 2HB GLU 14 4.981 7.225 -2.947
85 HB3 GLU 14 1HB GLU 14 6.058 5.934 -2.420
86 HG2 GLU 14 2HG GLU 14 5.069 4.414 -3.774
87 HG3 GLU 14 1HG GLU 14 3.452 4.922 -3.299
88 H ILE 15 H ILE 15 2.177 4.650 -0.933
89 HA ILE 15 HA ILE 15 0.340 6.682 -2.035
90 HB ILE 15 HB ILE 15 -1.269 4.631 -2.025
91 HG12 ILE 15 2HG1 ILE 15 1.364 3.162 -2.108
92 HG13 ILE 15 1HG1 ILE 15 0.433 3.287 -0.622
93 HG21 ILE 15 1HG2 ILE 15 -0.628 5.423 -4.134
94 HG22 ILE 15 2HG2 ILE 15 -0.013 3.769 -4.152
95 HG23 ILE 15 3HG2 ILE 15 1.083 5.116 -3.836
96 HD11 ILE 15 3HD1 ILE 15 -0.239 1.847 -3.164
97 HD12 ILE 15 1HD1 ILE 15 -1.552 2.458 -2.158
98 HD13 ILE 15 2HD1 ILE 15 -0.401 1.298 -1.497
99 H CYS 16 H CYS 16 -0.963 4.143 -0.108
100 HA CYS 16 HA CYS 16 -2.062 6.078 1.769
101 HB2 CYS 16 2HB CYS 16 -2.803 3.489 2.566
102 HB3 CYS 16 1HB CYS 16 -3.766 4.625 1.620
103 HN1 NH2 17 2H CYS 16 0.407 3.424 3.705
104 HN2 NH2 17 1H CYS 16 -0.354 2.925 2.274
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -9.296 -3.270 -3.874
2 H2 GLY 1 2HT GLY 1 -8.853 -2.936 -2.271
3 H3 GLY 1 3HT GLY 1 -7.970 -4.063 -3.181
4 HA2 GLY 1 2HA GLY 1 -7.437 -2.193 -4.761
5 HA3 GLY 1 1HA GLY 1 -8.059 -1.122 -3.509
6 H ABA 2 H ABA 2 -5.274 -1.599 -4.625
7 HA ABA 2 HA ABA 2 -3.596 -2.920 -2.861
8 HB3 ABA 2 1HB ABA 2 -3.297 -0.665 -4.772
9 HB2 ABA 2 2HB ABA 2 -2.435 -2.192 -4.695
10 HG1 ABA 2 HG ABA 2 -1.512 0.351 -3.629
11 H CYS 3 H CYS 3 -5.054 0.276 -2.520
12 HA CYS 3 HA CYS 3 -3.547 0.986 -0.174
13 HB2 CYS 3 2HB CYS 3 -5.389 2.278 -1.907
14 HB3 CYS 3 1HB CYS 3 -6.068 2.357 -0.283
15 H SER 4 H SER 4 -5.911 -1.243 -0.764
16 HA SER 4 HA SER 4 -6.883 -1.213 2.034
17 HB2 SER 4 2HB SER 4 -8.757 -0.978 0.608
18 HB3 SER 4 1HB SER 4 -8.134 -2.158 -0.536
19 HG SER 4 HG SER 4 -8.369 -3.185 1.986
20 H ASP 5 H ASP 5 -5.283 -2.994 -0.469
21 HA ASP 5 HA ASP 5 -5.288 -5.493 1.054
22 HB2 ASP 5 2HB ASP 5 -5.086 -4.777 -1.707
23 HB3 ASP 5 1HB ASP 5 -3.612 -5.623 -1.253
24 HA PRO 6 HA PRO 6 -1.616 -4.002 3.282
25 HB2 PRO 6 2HB PRO 6 -1.474 -6.978 3.658
26 HB3 PRO 6 1HB PRO 6 -1.263 -5.682 4.851
27 HG2 PRO 6 2HG PRO 6 -3.528 -7.092 4.682
28 HG3 PRO 6 1HG PRO 6 -3.514 -5.378 5.126
29 HD2 PRO 6 2HD PRO 6 -4.464 -6.645 2.625
30 HD3 PRO 6 1HD PRO 6 -4.872 -5.057 3.313
31 H ARG 7 H ARG 7 -1.652 -6.814 1.121
32 HA ARG 7 HA ARG 7 1.037 -7.191 0.637
33 HB2 ARG 7 2HB ARG 7 -1.323 -7.398 -1.245
34 HB3 ARG 7 1HB ARG 7 0.303 -7.941 -1.668
35 HG2 ARG 7 2HG ARG 7 0.286 -9.665 -0.091
36 HG3 ARG 7 1HG ARG 7 -0.941 -8.882 0.904
37 HD2 ARG 7 2HD ARG 7 -1.668 -9.699 -1.886
38 HD3 ARG 7 1HD ARG 7 -1.569 -10.945 -0.645
39 HE ARG 7 HE ARG 7 -3.466 -8.671 -0.680
40 HH11 ARG 7 1HH2 ARG 7 -2.291 -11.568 0.799
41 HH12 ARG 7 2HH2 ARG 7 -3.698 -11.760 1.787
42 HH21 ARG 7 1HH1 ARG 7 -5.237 -8.943 0.584
43 HH22 ARG 7 2HH1 ARG 7 -5.344 -10.292 1.669
44 H ABA 8 H ABA 8 -1.098 -4.706 -0.708
45 HA ABA 8 HA ABA 8 1.034 -3.646 -2.403
46 HB3 ABA 8 1HB ABA 8 -1.868 -3.055 -1.992
47 HB2 ABA 8 2HB ABA 8 -0.982 -3.322 -3.491
48 HG1 ABA 8 HG ABA 8 0.095 -0.906 -2.381
49 H ASN 9 H ASN 9 -1.003 -2.333 0.219
50 HA ASN 9 HA ASN 9 0.187 0.062 0.742
51 HB2 ASN 9 2HB ASN 9 -1.333 -1.886 2.271
52 HB3 ASN 9 1HB ASN 9 -0.164 -1.060 3.295
53 HD21 ASN 9 1HD2 ASN 9 -3.241 -0.773 1.888
54 HD22 ASN 9 2HD2 ASN 9 -3.464 0.887 2.154
55 H TYR 10 H TYR 10 1.519 -3.119 1.518
56 HA TYR 10 HA TYR 10 3.699 -2.039 3.089
57 HB2 TYR 10 2HB TYR 10 2.961 -4.778 2.087
58 HB3 TYR 10 1HB TYR 10 4.531 -4.475 2.829
59 HD1 TYR 10 2HD TYR 10 1.056 -3.232 3.565
60 HD2 TYR 10 1HD TYR 10 4.553 -5.250 5.030
61 HE1 TYR 10 2HE TYR 10 0.024 -3.390 5.812
62 HE2 TYR 10 1HE TYR 10 3.511 -5.407 7.276
63 HH TYR 10 HH TYR 10 1.226 -3.646 8.369
64 H ASP 11 H ASP 11 3.168 -2.900 -0.252
65 HA ASP 11 HA ASP 11 6.027 -2.619 -0.891
66 HB2 ASP 11 2HB ASP 11 3.622 -3.479 -2.514
67 HB3 ASP 11 1HB ASP 11 5.218 -3.234 -3.216
68 H HIS 12 H HIS 12 2.988 -0.966 -1.089
69 HA HIS 12 HA HIS 12 4.306 1.319 -2.442
70 HB2 HIS 12 2HB HIS 12 1.380 0.585 -2.704
71 HB3 HIS 12 1HB HIS 12 2.255 1.819 -3.603
72 HD2 HIS 12 2HD HIS 12 2.206 -2.141 -3.397
73 HE1 HIS 12 1HE HIS 12 3.875 -0.982 -7.099
74 HE2 HIS 12 2HE HIS 12 3.119 -2.967 -5.704
75 HA PRO 13 HA PRO 13 2.273 2.302 1.774
76 HB2 PRO 13 2HB PRO 13 4.609 3.095 3.030
77 HB3 PRO 13 1HB PRO 13 3.892 1.477 3.161
78 HG2 PRO 13 2HG PRO 13 6.156 2.412 1.481
79 HG3 PRO 13 1HG PRO 13 5.929 0.867 2.316
80 HD2 PRO 13 2HD PRO 13 5.559 1.146 -0.371
81 HD3 PRO 13 1HD PRO 13 4.649 -0.027 0.607
82 H GLU 14 H GLU 14 5.062 3.924 0.260
83 HA GLU 14 HA GLU 14 4.652 6.540 1.062
84 HB2 GLU 14 2HB GLU 14 6.622 5.993 -0.174
85 HB3 GLU 14 1HB GLU 14 5.684 5.407 -1.545
86 HG2 GLU 14 2HG GLU 14 6.273 7.510 -2.314
87 HG3 GLU 14 1HG GLU 14 4.735 7.883 -1.555
88 H ILE 15 H ILE 15 3.019 4.765 -1.522
89 HA ILE 15 HA ILE 15 1.590 7.059 -2.498
90 HB ILE 15 HB ILE 15 0.918 5.711 -4.173
91 HG12 ILE 15 2HG1 ILE 15 0.397 3.487 -2.177
92 HG13 ILE 15 1HG1 ILE 15 -0.815 4.614 -2.785
93 HG21 ILE 15 1HG2 ILE 15 3.328 5.050 -3.686
94 HG22 ILE 15 2HG2 ILE 15 2.390 3.888 -4.623
95 HG23 ILE 15 3HG2 ILE 15 2.677 3.606 -2.909
96 HD11 ILE 15 3HD1 ILE 15 0.648 3.409 -4.976
97 HD12 ILE 15 1HD1 ILE 15 -1.088 3.402 -4.662
98 HD13 ILE 15 2HD1 ILE 15 -0.055 2.167 -3.943
99 H CYS 16 H CYS 16 0.724 4.289 -0.439
100 HA CYS 16 HA CYS 16 -1.957 5.265 -0.014
101 HB2 CYS 16 2HB CYS 16 -0.312 3.006 1.070
102 HB3 CYS 16 1HB CYS 16 -1.837 3.442 1.838
103 HN1 NH2 17 2H CYS 16 0.454 6.510 3.029
104 HN2 NH2 17 1H CYS 16 1.088 5.481 1.835
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -7.266 1.847 -5.629
2 H2 GLY 1 2HT GLY 1 -6.640 0.728 -6.743
3 H3 GLY 1 3HT GLY 1 -5.618 1.453 -5.598
4 HA2 GLY 1 2HA GLY 1 -7.579 0.293 -4.079
5 HA3 GLY 1 1HA GLY 1 -7.242 -0.882 -5.349
6 H ABA 2 H ABA 2 -6.180 -2.322 -3.948
7 HA ABA 2 HA ABA 2 -4.387 -3.277 -2.905
8 HB3 ABA 2 1HB ABA 2 -3.329 -1.544 -4.891
9 HB2 ABA 2 2HB ABA 2 -2.621 -3.009 -4.232
10 HG1 ABA 2 HG ABA 2 -1.999 -0.173 -3.434
11 H CYS 3 H CYS 3 -4.809 0.175 -2.305
12 HA CYS 3 HA CYS 3 -3.192 0.501 -0.056
13 HB2 CYS 3 2HB CYS 3 -5.298 1.934 -1.333
14 HB3 CYS 3 1HB CYS 3 -5.661 1.865 0.387
15 H SER 4 H SER 4 -6.255 -1.093 -0.438
16 HA SER 4 HA SER 4 -6.722 -1.429 2.409
17 HB2 SER 4 2HB SER 4 -8.579 -1.189 0.798
18 HB3 SER 4 1HB SER 4 -8.087 -2.698 0.032
19 HG SER 4 HG SER 4 -8.521 -3.792 1.947
20 H ASP 5 H ASP 5 -4.865 -2.976 0.039
21 HA ASP 5 HA ASP 5 -4.959 -5.576 1.402
22 HB2 ASP 5 2HB ASP 5 -4.931 -4.959 -1.257
23 HB3 ASP 5 1HB ASP 5 -3.223 -5.253 -0.957
24 HA PRO 6 HA PRO 6 -1.381 -4.120 3.774
25 HB2 PRO 6 2HB PRO 6 -1.326 -7.070 4.290
26 HB3 PRO 6 1HB PRO 6 -1.186 -5.724 5.438
27 HG2 PRO 6 2HG PRO 6 -3.440 -7.109 5.217
28 HG3 PRO 6 1HG PRO 6 -3.457 -5.361 5.500
29 HD2 PRO 6 2HD PRO 6 -4.104 -6.867 3.005
30 HD3 PRO 6 1HD PRO 6 -4.729 -5.303 3.580
31 H ARG 7 H ARG 7 -1.553 -6.738 1.453
32 HA ARG 7 HA ARG 7 1.225 -7.241 1.137
33 HB2 ARG 7 2HB ARG 7 -1.028 -7.512 -0.881
34 HB3 ARG 7 1HB ARG 7 0.576 -8.231 -1.031
35 HG2 ARG 7 2HG ARG 7 0.210 -9.630 0.901
36 HG3 ARG 7 1HG ARG 7 -1.300 -8.799 1.282
37 HD2 ARG 7 2HD ARG 7 -1.936 -10.817 0.173
38 HD3 ARG 7 1HD ARG 7 -2.133 -9.524 -1.007
39 HE ARG 7 HE ARG 7 0.454 -10.864 -1.062
40 HH11 ARG 7 1HH2 ARG 7 -2.754 -10.717 -2.312
41 HH12 ARG 7 2HH2 ARG 7 -2.345 -11.536 -3.777
42 HH21 ARG 7 1HH1 ARG 7 0.959 -11.902 -2.940
43 HH22 ARG 7 2HH1 ARG 7 -0.260 -12.199 -4.133
44 H ABA 8 H ABA 8 -1.052 -5.091 -0.518
45 HA ABA 8 HA ABA 8 0.956 -3.935 -2.236
46 HB3 ABA 8 1HB ABA 8 -1.959 -3.532 -1.722
47 HB2 ABA 8 2HB ABA 8 -1.113 -3.781 -3.244
48 HG1 ABA 8 HG ABA 8 -0.453 -1.188 -1.929
49 H ASN 9 H ASN 9 -0.974 -2.698 0.498
50 HA ASN 9 HA ASN 9 0.112 -0.199 0.863
51 HB2 ASN 9 2HB ASN 9 -1.526 -1.869 2.331
52 HB3 ASN 9 1HB ASN 9 -0.131 -1.684 3.390
53 HD21 ASN 9 1HD2 ASN 9 -3.059 -0.390 3.046
54 HD22 ASN 9 2HD2 ASN 9 -2.731 1.232 3.419
55 H TYR 10 H TYR 10 1.634 -3.289 1.545
56 HA TYR 10 HA TYR 10 3.842 -2.176 3.044
57 HB2 TYR 10 2HB TYR 10 2.956 -4.848 2.158
58 HB3 TYR 10 1HB TYR 10 4.706 -4.637 2.191
59 HD1 TYR 10 2HD TYR 10 1.853 -3.425 4.297
60 HD2 TYR 10 1HD TYR 10 5.658 -5.399 4.166
61 HE1 TYR 10 2HE TYR 10 1.832 -3.627 6.775
62 HE2 TYR 10 1HE TYR 10 5.640 -5.604 6.642
63 HH TYR 10 HH TYR 10 3.374 -5.607 8.464
64 H ASP 11 H ASP 11 3.379 -3.429 -0.233
65 HA ASP 11 HA ASP 11 6.068 -2.798 -1.068
66 HB2 ASP 11 2HB ASP 11 3.781 -4.217 -2.131
67 HB3 ASP 11 1HB ASP 11 4.434 -3.119 -3.342
68 H HIS 12 H HIS 12 2.956 -1.210 -1.127
69 HA HIS 12 HA HIS 12 4.204 1.107 -2.500
70 HB2 HIS 12 2HB HIS 12 1.261 0.446 -2.580
71 HB3 HIS 12 1HB HIS 12 2.151 1.579 -3.594
72 HD2 HIS 12 2HD HIS 12 1.938 -2.352 -3.129
73 HE1 HIS 12 1HE HIS 12 3.453 -1.504 -6.976
74 HE2 HIS 12 2HE HIS 12 2.692 -3.364 -5.414
75 HA PRO 13 HA PRO 13 2.717 2.402 1.744
76 HB2 PRO 13 2HB PRO 13 5.049 3.659 2.470
77 HB3 PRO 13 1HB PRO 13 4.727 1.940 2.775
78 HG2 PRO 13 2HG PRO 13 6.362 3.208 0.635
79 HG3 PRO 13 1HG PRO 13 6.657 1.723 1.555
80 HD2 PRO 13 2HD PRO 13 5.685 1.722 -1.010
81 HD3 PRO 13 1HD PRO 13 5.331 0.438 0.169
82 H GLU 14 H GLU 14 4.455 4.020 -0.829
83 HA GLU 14 HA GLU 14 4.019 6.708 -0.124
84 HB2 GLU 14 2HB GLU 14 4.367 7.136 -2.578
85 HB3 GLU 14 1HB GLU 14 5.626 6.163 -1.817
86 HG2 GLU 14 2HG GLU 14 4.509 4.099 -2.640
87 HG3 GLU 14 1HG GLU 14 3.291 5.088 -3.436
88 H ILE 15 H ILE 15 1.965 4.439 -1.917
89 HA ILE 15 HA ILE 15 0.065 6.447 -2.705
90 HB ILE 15 HB ILE 15 -1.182 4.710 -3.668
91 HG12 ILE 15 2HG1 ILE 15 0.109 2.939 -1.585
92 HG13 ILE 15 1HG1 ILE 15 -1.602 3.299 -1.777
93 HG21 ILE 15 1HG2 ILE 15 1.259 4.961 -4.462
94 HG22 ILE 15 2HG2 ILE 15 0.412 3.485 -4.926
95 HG23 ILE 15 3HG2 ILE 15 1.564 3.456 -3.593
96 HD11 ILE 15 3HD1 ILE 15 -0.813 1.020 -2.635
97 HD12 ILE 15 1HD1 ILE 15 -0.009 1.900 -3.932
98 HD13 ILE 15 2HD1 ILE 15 -1.760 1.994 -3.757
99 H CYS 16 H CYS 16 0.264 4.105 -0.054
100 HA CYS 16 HA CYS 16 -2.319 4.966 1.009
101 HB2 CYS 16 2HB CYS 16 -0.635 2.664 1.320
102 HB3 CYS 16 1HB CYS 16 -0.963 3.368 2.906
103 HN1 NH2 17 2H CYS 16 0.816 6.636 2.976
104 HN2 NH2 17 1H CYS 16 1.105 5.558 1.697
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -7.882 0.484 -3.989
2 H2 GLY 1 2HT GLY 1 -8.001 -0.111 -2.406
3 H3 GLY 1 3HT GLY 1 -9.270 -0.359 -3.505
4 HA2 GLY 1 2HA GLY 1 -8.288 -2.397 -3.639
5 HA3 GLY 1 1HA GLY 1 -7.399 -1.537 -4.895
6 H ABA 2 H ABA 2 -5.278 -1.822 -4.786
7 HA ABA 2 HA ABA 2 -3.782 -3.177 -3.005
8 HB3 ABA 2 1HB ABA 2 -3.241 -1.121 -5.008
9 HB2 ABA 2 2HB ABA 2 -2.397 -2.627 -4.687
10 HG1 ABA 2 HG ABA 2 -1.590 0.060 -3.815
11 H CYS 3 H CYS 3 -4.698 0.235 -2.568
12 HA CYS 3 HA CYS 3 -3.040 0.754 -0.337
13 HB2 CYS 3 2HB CYS 3 -5.045 2.137 -1.747
14 HB3 CYS 3 1HB CYS 3 -5.567 2.110 -0.066
15 H SER 4 H SER 4 -6.093 -0.873 -0.661
16 HA SER 4 HA SER 4 -6.478 -1.133 2.228
17 HB2 SER 4 2HB SER 4 -8.370 -0.781 0.574
18 HB3 SER 4 1HB SER 4 -8.053 -2.409 -0.014
19 HG SER 4 HG SER 4 -9.691 -2.104 1.725
20 H ASP 5 H ASP 5 -5.035 -2.742 -0.399
21 HA ASP 5 HA ASP 5 -5.105 -5.411 0.716
22 HB2 ASP 5 2HB ASP 5 -4.982 -4.576 -1.794
23 HB3 ASP 5 1HB ASP 5 -3.252 -4.612 -1.483
24 HA PRO 6 HA PRO 6 -1.652 -4.487 3.475
25 HB2 PRO 6 2HB PRO 6 -1.682 -7.471 3.634
26 HB3 PRO 6 1HB PRO 6 -1.688 -6.270 4.942
27 HG2 PRO 6 2HG PRO 6 -3.886 -7.618 4.292
28 HG3 PRO 6 1HG PRO 6 -3.952 -5.920 4.791
29 HD2 PRO 6 2HD PRO 6 -4.247 -7.095 2.058
30 HD3 PRO 6 1HD PRO 6 -5.027 -5.662 2.764
31 H ARG 7 H ARG 7 -1.713 -6.722 0.796
32 HA ARG 7 HA ARG 7 1.096 -7.271 0.706
33 HB2 ARG 7 2HB ARG 7 -0.435 -8.810 -0.338
34 HB3 ARG 7 1HB ARG 7 -1.122 -7.533 -1.337
35 HG2 ARG 7 2HG ARG 7 0.590 -7.601 -2.838
36 HG3 ARG 7 1HG ARG 7 1.807 -7.856 -1.585
37 HD2 ARG 7 2HD ARG 7 -0.150 -10.035 -2.268
38 HD3 ARG 7 1HD ARG 7 1.296 -9.800 -3.248
39 HE ARG 7 HE ARG 7 2.465 -9.925 -0.914
40 HH11 ARG 7 1HH2 ARG 7 -0.283 -11.718 -1.948
41 HH12 ARG 7 2HH2 ARG 7 0.059 -13.062 -0.918
42 HH21 ARG 7 1HH1 ARG 7 2.891 -11.647 0.404
43 HH22 ARG 7 2HH1 ARG 7 1.847 -13.025 0.397
44 H ABA 8 H ABA 8 -1.028 -4.910 -0.844
45 HA ABA 8 HA ABA 8 1.130 -3.768 -2.414
46 HB3 ABA 8 1HB ABA 8 -1.804 -3.296 -2.109
47 HB2 ABA 8 2HB ABA 8 -0.856 -3.566 -3.567
48 HG1 ABA 8 HG ABA 8 0.079 -1.073 -2.527
49 H ASN 9 H ASN 9 -1.029 -2.485 0.139
50 HA ASN 9 HA ASN 9 0.119 -0.053 0.664
51 HB2 ASN 9 2HB ASN 9 -1.771 -1.511 1.897
52 HB3 ASN 9 1HB ASN 9 -0.463 -1.743 3.053
53 HD21 ASN 9 1HD2 ASN 9 -3.070 0.146 2.685
54 HD22 ASN 9 2HD2 ASN 9 -2.486 1.606 3.329
55 H TYR 10 H TYR 10 1.353 -3.226 1.637
56 HA TYR 10 HA TYR 10 3.488 -2.287 3.284
57 HB2 TYR 10 2HB TYR 10 2.652 -4.859 2.064
58 HB3 TYR 10 1HB TYR 10 4.368 -4.701 2.424
59 HD1 TYR 10 1HD TYR 10 1.356 -3.337 4.187
60 HD2 TYR 10 2HD TYR 10 4.786 -5.911 4.374
61 HE1 TYR 10 1HE TYR 10 0.906 -3.770 6.594
62 HE2 TYR 10 2HE TYR 10 4.334 -6.338 6.771
63 HH TYR 10 HH TYR 10 1.908 -6.186 8.222
64 H ASP 11 H ASP 11 3.312 -3.379 -0.067
65 HA ASP 11 HA ASP 11 6.077 -2.845 -0.636
66 HB2 ASP 11 2HB ASP 11 3.674 -3.725 -2.188
67 HB3 ASP 11 1HB ASP 11 5.099 -3.164 -3.058
68 H HIS 12 H HIS 12 3.110 -1.021 -0.840
69 HA HIS 12 HA HIS 12 4.623 1.205 -2.082
70 HB2 HIS 12 2HB HIS 12 1.703 0.605 -2.556
71 HB3 HIS 12 1HB HIS 12 2.701 1.802 -3.381
72 HD2 HIS 12 2HD HIS 12 2.310 -2.125 -3.264
73 HE1 HIS 12 1HE HIS 12 4.697 -1.106 -6.592
74 HE2 HIS 12 2HE HIS 12 3.526 -3.023 -5.403
75 HA PRO 13 HA PRO 13 2.689 2.576 1.969
76 HB2 PRO 13 2HB PRO 13 4.985 3.843 2.850
77 HB3 PRO 13 1HB PRO 13 4.562 2.168 3.245
78 HG2 PRO 13 2HG PRO 13 6.447 3.210 1.192
79 HG3 PRO 13 1HG PRO 13 6.590 1.787 2.238
80 HD2 PRO 13 2HD PRO 13 5.899 1.596 -0.383
81 HD3 PRO 13 1HD PRO 13 5.294 0.462 0.843
82 H GLU 14 H GLU 14 4.666 4.073 -0.508
83 HA GLU 14 HA GLU 14 4.209 6.793 0.099
84 HB2 GLU 14 2HB GLU 14 4.956 7.231 -2.188
85 HB3 GLU 14 1HB GLU 14 5.980 6.019 -1.420
86 HG2 GLU 14 2HG GLU 14 3.623 5.017 -2.963
87 HG3 GLU 14 1HG GLU 14 4.965 5.667 -3.887
88 H ILE 15 H ILE 15 2.275 4.505 -1.804
89 HA ILE 15 HA ILE 15 0.525 6.575 -2.803
90 HB ILE 15 HB ILE 15 -0.692 4.858 -3.874
91 HG12 ILE 15 2HG1 ILE 15 0.506 3.046 -1.780
92 HG13 ILE 15 1HG1 ILE 15 -1.195 3.364 -2.089
93 HG21 ILE 15 1HG2 ILE 15 1.003 3.674 -5.062
94 HG22 ILE 15 2HG2 ILE 15 2.095 3.706 -3.679
95 HG23 ILE 15 3HG2 ILE 15 1.746 5.191 -4.562
96 HD11 ILE 15 3HD1 ILE 15 -0.360 1.143 -2.962
97 HD12 ILE 15 1HD1 ILE 15 0.634 2.037 -4.107
98 HD13 ILE 15 2HD1 ILE 15 -1.123 2.171 -4.174
99 H CYS 16 H CYS 16 0.495 4.314 -0.110
100 HA CYS 16 HA CYS 16 -2.212 5.117 0.657
101 HB2 CYS 16 2HB CYS 16 -0.549 2.855 1.161
102 HB3 CYS 16 1HB CYS 16 -0.958 3.591 2.711
103 HN1 NH2 17 2H CYS 16 0.664 6.764 3.054
104 HN2 NH2 17 1H CYS 16 1.111 5.551 1.956
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -8.298 0.807 -3.565
2 H2 GLY 1 2HT GLY 1 -8.503 -0.583 -2.611
3 H3 GLY 1 3HT GLY 1 -9.484 -0.332 -3.970
4 HA2 GLY 1 2HA GLY 1 -8.034 -1.761 -4.924
5 HA3 GLY 1 1HA GLY 1 -7.138 -0.264 -5.167
6 H ABA 2 H ABA 2 -5.165 -1.475 -5.120
7 HA ABA 2 HA ABA 2 -4.175 -3.231 -3.304
8 HB3 ABA 2 1HB ABA 2 -3.096 -1.374 -5.175
9 HB2 ABA 2 2HB ABA 2 -2.365 -2.845 -4.556
10 HG1 ABA 2 HG ABA 2 -1.888 -0.030 -3.592
11 H CYS 3 H CYS 3 -4.621 0.233 -2.723
12 HA CYS 3 HA CYS 3 -3.194 0.453 -0.318
13 HB2 CYS 3 2HB CYS 3 -4.994 2.059 -1.822
14 HB3 CYS 3 1HB CYS 3 -5.552 2.052 -0.153
15 H SER 4 H SER 4 -6.142 -1.160 -1.031
16 HA SER 4 HA SER 4 -7.054 -1.254 1.738
17 HB2 SER 4 2HB SER 4 -8.693 -1.113 -0.080
18 HB3 SER 4 1HB SER 4 -8.089 -2.625 -0.748
19 HG SER 4 HG SER 4 -8.537 -3.196 1.727
20 H ASP 5 H ASP 5 -4.729 -2.860 -0.024
21 HA ASP 5 HA ASP 5 -5.067 -5.331 1.574
22 HB2 ASP 5 2HB ASP 5 -5.185 -5.377 -1.042
23 HB3 ASP 5 1HB ASP 5 -3.437 -5.228 -0.939
24 HA PRO 6 HA PRO 6 -1.306 -4.196 3.623
25 HB2 PRO 6 2HB PRO 6 -0.504 -6.783 4.293
26 HB3 PRO 6 1HB PRO 6 -1.630 -5.788 5.236
27 HG2 PRO 6 2HG PRO 6 -2.195 -7.977 3.306
28 HG3 PRO 6 1HG PRO 6 -3.028 -7.553 4.811
29 HD2 PRO 6 2HD PRO 6 -4.060 -6.943 2.382
30 HD3 PRO 6 1HD PRO 6 -4.302 -5.891 3.795
31 H ARG 7 H ARG 7 -1.265 -6.982 1.411
32 HA ARG 7 HA ARG 7 1.441 -7.152 0.838
33 HB2 ARG 7 2HB ARG 7 -0.981 -7.588 -0.914
34 HB3 ARG 7 1HB ARG 7 0.659 -7.914 -1.473
35 HG2 ARG 7 2HG ARG 7 0.992 -9.630 0.100
36 HG3 ARG 7 1HG ARG 7 -0.311 -9.057 1.140
37 HD2 ARG 7 2HD ARG 7 -0.807 -10.107 -1.652
38 HD3 ARG 7 1HD ARG 7 -0.811 -11.149 -0.230
39 HE ARG 7 HE ARG 7 -2.568 -8.768 -0.225
40 HH11 ARG 7 1HH2 ARG 7 -2.171 -12.201 -0.379
41 HH12 ARG 7 2HH2 ARG 7 -3.832 -12.525 -0.032
42 HH21 ARG 7 1HH1 ARG 7 -4.698 -9.206 0.199
43 HH22 ARG 7 2HH1 ARG 7 -5.240 -10.853 0.315
44 H ABA 8 H ABA 8 -0.987 -5.022 -0.690
45 HA ABA 8 HA ABA 8 1.043 -3.710 -2.291
46 HB3 ABA 8 1HB ABA 8 -1.911 -3.400 -1.914
47 HB2 ABA 8 2HB ABA 8 -0.991 -3.647 -3.395
48 HG1 ABA 8 HG ABA 8 -0.306 -1.062 -2.138
49 H ASN 9 H ASN 9 -1.112 -2.666 0.357
50 HA ASN 9 HA ASN 9 -0.240 -0.137 0.893
51 HB2 ASN 9 2HB ASN 9 -1.812 -1.910 2.215
52 HB3 ASN 9 1HB ASN 9 -0.424 -1.877 3.293
53 HD21 ASN 9 1HD2 ASN 9 -3.319 -0.299 2.584
54 HD22 ASN 9 2HD2 ASN 9 -2.993 1.167 3.371
55 H TYR 10 H TYR 10 1.454 -3.142 1.721
56 HA TYR 10 HA TYR 10 3.581 -1.790 3.137
57 HB2 TYR 10 2HB TYR 10 2.976 -4.601 2.326
58 HB3 TYR 10 1HB TYR 10 4.652 -4.188 2.677
59 HD1 TYR 10 1HD TYR 10 1.207 -3.759 4.093
60 HD2 TYR 10 2HD TYR 10 5.396 -4.234 4.884
61 HE1 TYR 10 1HE TYR 10 0.732 -3.899 6.528
62 HE2 TYR 10 2HE TYR 10 4.922 -4.370 7.316
63 HH TYR 10 HH TYR 10 2.785 -3.379 8.821
64 H ASP 11 H ASP 11 3.427 -3.581 0.054
65 HA ASP 11 HA ASP 11 6.006 -2.975 -0.850
66 HB2 ASP 11 2HB ASP 11 3.440 -3.748 -2.194
67 HB3 ASP 11 1HB ASP 11 4.827 -3.283 -3.174
68 H HIS 12 H HIS 12 2.988 -1.173 -1.159
69 HA HIS 12 HA HIS 12 4.522 1.072 -2.345
70 HB2 HIS 12 2HB HIS 12 1.551 0.657 -2.669
71 HB3 HIS 12 1HB HIS 12 2.623 1.689 -3.615
72 HD2 HIS 12 2HD HIS 12 2.037 -2.205 -3.130
73 HE1 HIS 12 1HE HIS 12 3.911 -1.549 -6.857
74 HE2 HIS 12 2HE HIS 12 2.872 -3.315 -5.347
75 HA PRO 13 HA PRO 13 2.956 2.487 1.762
76 HB2 PRO 13 2HB PRO 13 5.236 3.786 2.509
77 HB3 PRO 13 1HB PRO 13 4.988 2.046 2.755
78 HG2 PRO 13 2HG PRO 13 6.566 3.452 0.658
79 HG3 PRO 13 1HG PRO 13 6.917 1.947 1.523
80 HD2 PRO 13 2HD PRO 13 5.903 2.036 -1.044
81 HD3 PRO 13 1HD PRO 13 5.681 0.664 0.065
82 H GLU 14 H GLU 14 5.028 4.376 -0.437
83 HA GLU 14 HA GLU 14 4.318 6.951 0.225
84 HB2 GLU 14 2HB GLU 14 6.036 6.518 -1.410
85 HB3 GLU 14 1HB GLU 14 4.872 5.775 -2.507
86 HG2 GLU 14 2HG GLU 14 4.241 7.779 -3.333
87 HG3 GLU 14 1HG GLU 14 4.011 8.441 -1.719
88 H ILE 15 H ILE 15 2.454 4.665 -1.731
89 HA ILE 15 HA ILE 15 0.486 6.620 -2.508
90 HB ILE 15 HB ILE 15 -0.474 4.958 -3.769
91 HG12 ILE 15 2HG1 ILE 15 0.439 2.984 -1.660
92 HG13 ILE 15 1HG1 ILE 15 -1.215 3.509 -1.969
93 HG21 ILE 15 1HG2 ILE 15 2.177 3.592 -3.289
94 HG22 ILE 15 2HG2 ILE 15 2.068 5.129 -4.148
95 HG23 ILE 15 3HG2 ILE 15 1.261 3.698 -4.789
96 HD11 ILE 15 3HD1 ILE 15 0.482 2.123 -4.060
97 HD12 ILE 15 1HD1 ILE 15 -1.257 2.417 -4.101
98 HD13 ILE 15 2HD1 ILE 15 -0.585 1.253 -2.960
99 H CYS 16 H CYS 16 0.637 4.055 -0.054
100 HA CYS 16 HA CYS 16 -2.042 4.742 0.895
101 HB2 CYS 16 2HB CYS 16 -0.397 2.427 0.993
102 HB3 CYS 16 1HB CYS 16 -0.742 2.920 2.652
103 HN1 NH2 17 2H CYS 16 0.867 6.248 3.284
104 HN2 NH2 17 1H CYS 16 1.280 5.414 1.863
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -8.945 0.210 -3.907
2 H2 GLY 1 2HT GLY 1 -8.110 0.761 -5.276
3 H3 GLY 1 3HT GLY 1 -7.415 0.919 -3.738
4 HA2 GLY 1 2HA GLY 1 -7.945 -1.762 -3.967
5 HA3 GLY 1 1HA GLY 1 -7.319 -1.287 -5.540
6 H ABA 2 H ABA 2 -5.844 -2.983 -3.948
7 HA ABA 2 HA ABA 2 -3.737 -3.319 -3.128
8 HB3 ABA 2 1HB ABA 2 -3.534 -0.909 -4.768
9 HB2 ABA 2 2HB ABA 2 -2.488 -2.315 -4.702
10 HG1 ABA 2 HG ABA 2 -2.011 0.276 -3.418
11 H CYS 3 H CYS 3 -4.882 -0.036 -2.271
12 HA CYS 3 HA CYS 3 -3.422 0.147 0.152
13 HB2 CYS 3 2HB CYS 3 -5.271 1.757 -1.244
14 HB3 CYS 3 1HB CYS 3 -5.969 1.491 0.351
15 H SER 4 H SER 4 -6.631 -1.106 -0.603
16 HA SER 4 HA SER 4 -7.334 -1.741 2.105
17 HB2 SER 4 2HB SER 4 -8.987 -1.380 0.280
18 HB3 SER 4 1HB SER 4 -8.441 -2.877 -0.466
19 HG SER 4 HG SER 4 -8.885 -3.762 1.780
20 H ASP 5 H ASP 5 -4.896 -2.947 0.369
21 HA ASP 5 HA ASP 5 -5.082 -5.593 1.651
22 HB2 ASP 5 2HB ASP 5 -5.140 -5.057 -1.164
23 HB3 ASP 5 1HB ASP 5 -3.637 -5.886 -0.775
24 HA PRO 6 HA PRO 6 -1.282 -3.825 3.399
25 HB2 PRO 6 2HB PRO 6 -1.035 -6.770 3.950
26 HB3 PRO 6 1HB PRO 6 -0.695 -5.396 5.021
27 HG2 PRO 6 2HG PRO 6 -2.957 -6.796 5.229
28 HG3 PRO 6 1HG PRO 6 -2.912 -5.049 5.510
29 HD2 PRO 6 2HD PRO 6 -4.109 -6.546 3.253
30 HD3 PRO 6 1HD PRO 6 -4.470 -4.905 3.836
31 H ARG 7 H ARG 7 -1.540 -6.636 1.299
32 HA ARG 7 HA ARG 7 1.061 -7.147 0.571
33 HB2 ARG 7 2HB ARG 7 -1.168 -6.968 -1.469
34 HB3 ARG 7 1HB ARG 7 0.221 -8.051 -1.475
35 HG2 ARG 7 2HG ARG 7 -0.660 -9.148 0.590
36 HG3 ARG 7 1HG ARG 7 -2.085 -8.113 0.502
37 HD2 ARG 7 2HD ARG 7 -2.503 -9.002 -1.814
38 HD3 ARG 7 1HD ARG 7 -1.199 -10.156 -1.550
39 HE ARG 7 HE ARG 7 -3.730 -10.071 0.007
40 HH11 ARG 7 1HH2 ARG 7 -0.921 -11.724 -1.117
41 HH12 ARG 7 2HH2 ARG 7 -1.449 -13.259 -0.539
42 HH21 ARG 7 1HH1 ARG 7 -4.383 -12.066 0.747
43 HH22 ARG 7 2HH1 ARG 7 -3.381 -13.454 0.495
44 H ABA 8 H ABA 8 -1.092 -4.710 -0.888
45 HA ABA 8 HA ABA 8 1.134 -3.535 -2.365
46 HB3 ABA 8 1HB ABA 8 -1.813 -3.307 -2.370
47 HB2 ABA 8 2HB ABA 8 -0.678 -3.212 -3.712
48 HG1 ABA 8 HG ABA 8 -0.145 -0.814 -2.409
49 H ASN 9 H ASN 9 -1.095 -2.634 0.240
50 HA ASN 9 HA ASN 9 -0.319 -0.084 0.854
51 HB2 ASN 9 2HB ASN 9 -1.905 -1.925 2.056
52 HB3 ASN 9 1HB ASN 9 -0.568 -1.868 3.200
53 HD21 ASN 9 1HD2 ASN 9 -3.500 -0.441 2.570
54 HD22 ASN 9 2HD2 ASN 9 -3.228 1.059 3.320
55 H TYR 10 H TYR 10 1.428 -3.067 1.711
56 HA TYR 10 HA TYR 10 3.457 -1.551 3.159
57 HB2 TYR 10 2HB TYR 10 2.976 -4.468 2.619
58 HB3 TYR 10 1HB TYR 10 4.541 -3.919 3.224
59 HD1 TYR 10 1HD TYR 10 0.876 -3.668 3.888
60 HD2 TYR 10 2HD TYR 10 4.836 -3.463 5.521
61 HE1 TYR 10 1HE TYR 10 -0.079 -3.481 6.172
62 HE2 TYR 10 2HE TYR 10 3.882 -3.279 7.806
63 HH TYR 10 HH TYR 10 2.028 -3.032 8.998
64 H ASP 11 H ASP 11 3.100 -3.112 0.017
65 HA ASP 11 HA ASP 11 5.874 -2.846 -0.707
66 HB2 ASP 11 2HB ASP 11 3.937 -4.386 -1.690
67 HB3 ASP 11 1HB ASP 11 3.751 -3.028 -2.791
68 H HIS 12 H HIS 12 2.964 -0.925 -1.071
69 HA HIS 12 HA HIS 12 4.544 1.217 -2.376
70 HB2 HIS 12 2HB HIS 12 1.541 0.863 -2.402
71 HB3 HIS 12 1HB HIS 12 2.486 2.008 -3.349
72 HD2 HIS 12 2HD HIS 12 1.982 -1.915 -3.180
73 HE1 HIS 12 1HE HIS 12 3.608 -0.916 -6.949
74 HE2 HIS 12 2HE HIS 12 2.690 -2.818 -5.530
75 HA PRO 13 HA PRO 13 3.438 2.627 1.923
76 HB2 PRO 13 2HB PRO 13 5.915 3.575 2.557
77 HB3 PRO 13 1HB PRO 13 5.439 1.883 2.786
78 HG2 PRO 13 2HG PRO 13 7.048 3.120 0.605
79 HG3 PRO 13 1HG PRO 13 7.277 1.572 1.439
80 HD2 PRO 13 2HD PRO 13 6.133 1.771 -1.045
81 HD3 PRO 13 1HD PRO 13 5.748 0.471 0.104
82 H GLU 14 H GLU 14 4.366 4.038 -0.976
83 HA GLU 14 HA GLU 14 4.407 6.788 0.044
84 HB2 GLU 14 2HB GLU 14 4.409 6.451 -2.868
85 HB3 GLU 14 1HB GLU 14 5.551 7.308 -1.833
86 HG2 GLU 14 2HG GLU 14 6.915 5.597 -2.596
87 HG3 GLU 14 1HG GLU 14 6.263 4.833 -1.154
88 H ILE 15 H ILE 15 2.462 4.667 -2.018
89 HA ILE 15 HA ILE 15 0.488 6.692 -2.579
90 HB ILE 15 HB ILE 15 -0.634 5.062 -3.838
91 HG12 ILE 15 2HG1 ILE 15 0.732 3.019 -2.062
92 HG13 ILE 15 1HG1 ILE 15 -0.994 3.372 -2.146
93 HG21 ILE 15 1HG2 ILE 15 1.030 4.186 -5.231
94 HG22 ILE 15 2HG2 ILE 15 2.120 3.860 -3.885
95 HG23 ILE 15 3HG2 ILE 15 1.869 5.516 -4.435
96 HD11 ILE 15 3HD1 ILE 15 -1.110 2.533 -4.419
97 HD12 ILE 15 1HD1 ILE 15 -0.337 1.312 -3.413
98 HD13 ILE 15 2HD1 ILE 15 0.641 2.325 -4.472
99 H CYS 16 H CYS 16 0.685 3.910 -0.376
100 HA CYS 16 HA CYS 16 -1.919 4.572 0.781
101 HB2 CYS 16 2HB CYS 16 0.039 2.318 1.154
102 HB3 CYS 16 1HB CYS 16 -1.323 2.559 2.241
103 HN1 NH2 17 2H CYS 16 0.949 6.241 2.899
104 HN2 NH2 17 1H CYS 16 1.032 5.923 1.236
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -8.717 -1.675 -2.625
2 H2 GLY 1 2HT GLY 1 -9.230 -2.339 -4.098
3 H3 GLY 1 3HT GLY 1 -9.603 -0.727 -3.716
4 HA2 GLY 1 2HA GLY 1 -7.548 -1.470 -5.265
5 HA3 GLY 1 1HA GLY 1 -7.609 0.040 -4.358
6 H ABA 2 H ABA 2 -5.247 -1.503 -5.049
7 HA ABA 2 HA ABA 2 -4.112 -3.172 -3.251
8 HB3 ABA 2 1HB ABA 2 -3.164 -1.270 -5.169
9 HB2 ABA 2 2HB ABA 2 -2.399 -2.749 -4.615
10 HG1 ABA 2 HG ABA 2 -1.740 0.025 -3.789
11 H CYS 3 H CYS 3 -4.466 0.337 -2.700
12 HA CYS 3 HA CYS 3 -2.993 0.488 -0.322
13 HB2 CYS 3 2HB CYS 3 -4.695 2.206 -1.795
14 HB3 CYS 3 1HB CYS 3 -5.296 2.196 -0.142
15 H SER 4 H SER 4 -5.973 -1.030 -0.974
16 HA SER 4 HA SER 4 -6.841 -1.079 1.822
17 HB2 SER 4 2HB SER 4 -8.494 -0.763 0.019
18 HB3 SER 4 1HB SER 4 -8.055 -2.338 -0.637
19 HG SER 4 HG SER 4 -8.521 -3.011 1.706
20 H ASP 5 H ASP 5 -4.655 -2.793 0.011
21 HA ASP 5 HA ASP 5 -5.126 -5.249 1.599
22 HB2 ASP 5 2HB ASP 5 -4.934 -4.931 -1.240
23 HB3 ASP 5 1HB ASP 5 -3.542 -5.857 -0.686
24 HA PRO 6 HA PRO 6 -1.249 -4.387 3.550
25 HB2 PRO 6 2HB PRO 6 -0.901 -7.349 3.552
26 HB3 PRO 6 1HB PRO 6 -0.843 -6.203 4.905
27 HG2 PRO 6 2HG PRO 6 -2.931 -7.820 4.509
28 HG3 PRO 6 1HG PRO 6 -3.114 -6.186 5.167
29 HD2 PRO 6 2HD PRO 6 -3.788 -7.205 2.445
30 HD3 PRO 6 1HD PRO 6 -4.538 -5.893 3.380
31 H ARG 7 H ARG 7 -1.148 -7.122 1.265
32 HA ARG 7 HA ARG 7 1.489 -7.193 0.573
33 HB2 ARG 7 2HB ARG 7 -0.970 -7.540 -1.151
34 HB3 ARG 7 1HB ARG 7 0.653 -7.845 -1.761
35 HG2 ARG 7 2HG ARG 7 0.205 -9.955 -0.984
36 HG3 ARG 7 1HG ARG 7 0.811 -9.256 0.518
37 HD2 ARG 7 2HD ARG 7 -1.250 -9.257 1.499
38 HD3 ARG 7 1HD ARG 7 -2.066 -8.797 0.007
39 HE ARG 7 HE ARG 7 -2.557 -11.033 -0.266
40 HH11 ARG 7 1HH2 ARG 7 0.345 -10.707 1.534
41 HH12 ARG 7 2HH2 ARG 7 0.585 -12.407 1.708
42 HH21 ARG 7 1HH1 ARG 7 -2.266 -13.229 -0.004
43 HH22 ARG 7 2HH1 ARG 7 -0.885 -13.827 0.846
44 H ABA 8 H ABA 8 -0.939 -4.981 -0.793
45 HA ABA 8 HA ABA 8 1.066 -3.602 -2.376
46 HB3 ABA 8 1HB ABA 8 -1.892 -3.307 -1.951
47 HB2 ABA 8 2HB ABA 8 -1.003 -3.577 -3.449
48 HG1 ABA 8 HG ABA 8 -0.277 -0.991 -2.206
49 H ASN 9 H ASN 9 -1.156 -2.591 0.236
50 HA ASN 9 HA ASN 9 -0.185 -0.108 0.837
51 HB2 ASN 9 2HB ASN 9 -2.016 -1.634 1.985
52 HB3 ASN 9 1HB ASN 9 -0.716 -1.956 3.129
53 HD21 ASN 9 1HD2 ASN 9 -3.269 0.133 2.563
54 HD22 ASN 9 2HD2 ASN 9 -2.721 1.452 3.480
55 H TYR 10 H TYR 10 1.303 -3.198 1.775
56 HA TYR 10 HA TYR 10 3.391 -1.892 3.326
57 HB2 TYR 10 2HB TYR 10 2.729 -4.728 2.595
58 HB3 TYR 10 1HB TYR 10 4.329 -4.338 3.216
59 HD1 TYR 10 2HD TYR 10 0.734 -3.603 3.939
60 HD2 TYR 10 1HD TYR 10 4.650 -4.354 5.521
61 HE1 TYR 10 2HE TYR 10 -0.178 -3.509 6.253
62 HE2 TYR 10 1HE TYR 10 3.739 -4.261 7.827
63 HH TYR 10 HH TYR 10 0.742 -4.647 8.628
64 H ASP 11 H ASP 11 2.919 -2.897 0.061
65 HA ASP 11 HA ASP 11 5.786 -2.755 -0.550
66 HB2 ASP 11 2HB ASP 11 4.298 -4.587 -1.446
67 HB3 ASP 11 1HB ASP 11 3.505 -3.359 -2.427
68 H HIS 12 H HIS 12 2.866 -0.912 -0.855
69 HA HIS 12 HA HIS 12 4.342 1.152 -2.391
70 HB2 HIS 12 2HB HIS 12 1.400 0.448 -2.522
71 HB3 HIS 12 1HB HIS 12 2.150 1.813 -3.348
72 HD2 HIS 12 2HD HIS 12 2.262 -2.130 -3.508
73 HE1 HIS 12 1HE HIS 12 4.035 -0.576 -7.009
74 HE2 HIS 12 2HE HIS 12 3.329 -2.712 -5.826
75 HA PRO 13 HA PRO 13 2.843 2.700 1.838
76 HB2 PRO 13 2HB PRO 13 5.324 3.782 2.477
77 HB3 PRO 13 1HB PRO 13 4.743 2.195 3.006
78 HG2 PRO 13 2HG PRO 13 6.583 2.886 0.774
79 HG3 PRO 13 1HG PRO 13 6.626 1.511 1.892
80 HD2 PRO 13 2HD PRO 13 5.738 1.247 -0.653
81 HD3 PRO 13 1HD PRO 13 5.046 0.302 0.687
82 H GLU 14 H GLU 14 4.911 4.025 -0.680
83 HA GLU 14 HA GLU 14 4.688 6.766 -0.199
84 HB2 GLU 14 2HB GLU 14 4.997 6.918 -2.746
85 HB3 GLU 14 1HB GLU 14 6.245 6.069 -1.831
86 HG2 GLU 14 2HG GLU 14 4.162 4.201 -2.504
87 HG3 GLU 14 1HG GLU 14 4.655 5.044 -3.966
88 H ILE 15 H ILE 15 2.315 4.547 -1.444
89 HA ILE 15 HA ILE 15 0.608 6.773 -2.341
90 HB ILE 15 HB ILE 15 -0.497 5.307 -3.709
91 HG12 ILE 15 2HG1 ILE 15 0.174 3.094 -1.746
92 HG13 ILE 15 1HG1 ILE 15 -1.400 3.852 -1.972
93 HG21 ILE 15 1HG2 ILE 15 1.927 5.213 -4.263
94 HG22 ILE 15 2HG2 ILE 15 1.083 3.725 -4.695
95 HG23 ILE 15 3HG2 ILE 15 2.079 3.782 -3.244
96 HD11 ILE 15 3HD1 ILE 15 -1.580 1.888 -3.246
97 HD12 ILE 15 1HD1 ILE 15 0.082 1.998 -3.826
98 HD13 ILE 15 2HD1 ILE 15 -1.146 3.097 -4.452
99 H CYS 16 H CYS 16 0.582 4.001 -0.131
100 HA CYS 16 HA CYS 16 -1.984 4.648 0.992
101 HB2 CYS 16 2HB CYS 16 0.230 2.757 1.754
102 HB3 CYS 16 1HB CYS 16 -1.180 2.987 2.780
103 HN1 NH2 17 2H CYS 16 0.936 6.388 3.256
104 HN2 NH2 17 1H CYS 16 1.384 5.371 1.969
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -8.181 1.140 -4.957
2 H2 GLY 1 2HT GLY 1 -7.010 0.671 -6.091
3 H3 GLY 1 3HT GLY 1 -6.541 1.449 -4.654
4 HA2 GLY 1 2HA GLY 1 -7.786 -0.602 -3.579
5 HA3 GLY 1 1HA GLY 1 -7.311 -1.334 -5.111
6 H ABA 2 H ABA 2 -5.966 -2.682 -3.616
7 HA ABA 2 HA ABA 2 -3.897 -3.319 -2.874
8 HB3 ABA 2 1HB ABA 2 -3.378 -1.211 -4.811
9 HB2 ABA 2 2HB ABA 2 -2.530 -2.725 -4.550
10 HG1 ABA 2 HG ABA 2 -1.666 -0.075 -3.677
11 H CYS 3 H CYS 3 -4.367 0.193 -2.356
12 HA CYS 3 HA CYS 3 -2.774 0.420 -0.056
13 HB2 CYS 3 2HB CYS 3 -4.628 2.052 -1.451
14 HB3 CYS 3 1HB CYS 3 -5.114 2.044 0.239
15 H SER 4 H SER 4 -5.927 -0.902 -0.557
16 HA SER 4 HA SER 4 -6.495 -1.184 2.301
17 HB2 SER 4 2HB SER 4 -8.271 -0.573 0.650
18 HB3 SER 4 1HB SER 4 -8.064 -2.154 -0.094
19 HG SER 4 HG SER 4 -8.612 -3.095 1.928
20 H ASP 5 H ASP 5 -4.500 -2.743 0.284
21 HA ASP 5 HA ASP 5 -5.128 -5.422 1.369
22 HB2 ASP 5 2HB ASP 5 -5.225 -5.877 -0.856
23 HB3 ASP 5 1HB ASP 5 -4.289 -4.461 -1.293
24 HA PRO 6 HA PRO 6 -1.386 -4.954 3.709
25 HB2 PRO 6 2HB PRO 6 -1.007 -7.612 4.337
26 HB3 PRO 6 1HB PRO 6 -2.163 -6.550 5.165
27 HG2 PRO 6 2HG PRO 6 -2.639 -8.560 3.020
28 HG3 PRO 6 1HG PRO 6 -3.619 -8.171 4.444
29 HD2 PRO 6 2HD PRO 6 -4.255 -7.281 1.948
30 HD3 PRO 6 1HD PRO 6 -4.636 -6.353 3.418
31 H ARG 7 H ARG 7 -1.651 -6.739 0.809
32 HA ARG 7 HA ARG 7 1.174 -7.462 0.670
33 HB2 ARG 7 2HB ARG 7 -0.770 -8.802 -0.336
34 HB3 ARG 7 1HB ARG 7 -0.839 -7.555 -1.577
35 HG2 ARG 7 2HG ARG 7 1.715 -7.999 -1.840
36 HG3 ARG 7 1HG ARG 7 1.376 -9.510 -0.993
37 HD2 ARG 7 2HD ARG 7 0.542 -8.634 -3.717
38 HD3 ARG 7 1HD ARG 7 0.994 -10.238 -3.143
39 HE ARG 7 HE ARG 7 -1.677 -9.105 -3.168
40 HH11 ARG 7 1HH2 ARG 7 0.447 -11.379 -1.729
41 HH12 ARG 7 2HH2 ARG 7 -0.826 -12.340 -1.066
42 HH21 ARG 7 1HH1 ARG 7 -3.316 -10.361 -2.331
43 HH22 ARG 7 2HH1 ARG 7 -2.933 -11.779 -1.414
44 H ABA 8 H ABA 8 -1.062 -5.121 -0.774
45 HA ABA 8 HA ABA 8 1.062 -3.868 -2.332
46 HB3 ABA 8 1HB ABA 8 -1.885 -3.461 -2.008
47 HB2 ABA 8 2HB ABA 8 -0.948 -3.710 -3.478
48 HG1 ABA 8 HG ABA 8 -0.013 -1.231 -2.403
49 H ASN 9 H ASN 9 -1.157 -2.724 0.235
50 HA ASN 9 HA ASN 9 -0.123 -0.257 0.824
51 HB2 ASN 9 2HB ASN 9 -2.026 -1.564 1.956
52 HB3 ASN 9 1HB ASN 9 -0.790 -2.251 2.998
53 HD21 ASN 9 1HD2 ASN 9 -3.029 0.154 2.954
54 HD22 ASN 9 2HD2 ASN 9 -2.257 1.278 3.968
55 H TYR 10 H TYR 10 1.253 -3.388 1.797
56 HA TYR 10 HA TYR 10 3.363 -2.207 3.375
57 HB2 TYR 10 2HB TYR 10 2.749 -5.000 2.426
58 HB3 TYR 10 1HB TYR 10 4.255 -4.624 3.258
59 HD1 TYR 10 2HD TYR 10 0.657 -3.615 3.680
60 HD2 TYR 10 1HD TYR 10 4.207 -5.174 5.513
61 HE1 TYR 10 2HE TYR 10 -0.511 -3.703 5.865
62 HE2 TYR 10 1HE TYR 10 3.039 -5.265 7.699
63 HH TYR 10 HH TYR 10 0.747 -3.725 8.612
64 H ASP 11 H ASP 11 2.888 -2.615 0.061
65 HA ASP 11 HA ASP 11 5.796 -2.464 -0.484
66 HB2 ASP 11 2HB ASP 11 4.132 -4.372 -1.401
67 HB3 ASP 11 1HB ASP 11 3.898 -3.163 -2.658
68 H HIS 12 H HIS 12 2.746 -0.894 -0.741
69 HA HIS 12 HA HIS 12 3.910 1.194 -2.500
70 HB2 HIS 12 2HB HIS 12 1.084 0.206 -2.169
71 HB3 HIS 12 1HB HIS 12 1.442 1.764 -2.904
72 HD2 HIS 12 2HD HIS 12 2.387 -2.033 -3.608
73 HE1 HIS 12 1HE HIS 12 2.637 0.160 -7.208
74 HE2 HIS 12 2HE HIS 12 2.814 -2.159 -6.185
75 HA PRO 13 HA PRO 13 3.069 2.946 1.817
76 HB2 PRO 13 2HB PRO 13 5.537 4.227 1.946
77 HB3 PRO 13 1HB PRO 13 5.177 2.647 2.665
78 HG2 PRO 13 2HG PRO 13 6.563 3.299 0.121
79 HG3 PRO 13 1HG PRO 13 6.874 1.997 1.281
80 HD2 PRO 13 2HD PRO 13 5.600 1.560 -1.077
81 HD3 PRO 13 1HD PRO 13 5.233 0.623 0.389
82 H GLU 14 H GLU 14 4.698 4.269 -1.024
83 HA GLU 14 HA GLU 14 4.301 6.987 -0.684
84 HB2 GLU 14 2HB GLU 14 5.616 6.009 -2.507
85 HB3 GLU 14 1HB GLU 14 4.142 5.394 -3.251
86 HG2 GLU 14 2HG GLU 14 3.933 7.358 -4.335
87 HG3 GLU 14 1HG GLU 14 3.671 8.142 -2.781
88 H ILE 15 H ILE 15 2.047 4.645 -2.170
89 HA ILE 15 HA ILE 15 0.056 6.671 -2.643
90 HB ILE 15 HB ILE 15 -1.193 5.035 -3.692
91 HG12 ILE 15 2HG1 ILE 15 0.092 2.962 -1.887
92 HG13 ILE 15 1HG1 ILE 15 -1.530 3.620 -1.697
93 HG21 ILE 15 1HG2 ILE 15 1.166 5.160 -4.610
94 HG22 ILE 15 2HG2 ILE 15 0.315 3.656 -4.965
95 HG23 ILE 15 3HG2 ILE 15 1.527 3.701 -3.687
96 HD11 ILE 15 3HD1 ILE 15 -1.865 2.842 -4.167
97 HD12 ILE 15 1HD1 ILE 15 -1.938 1.643 -2.878
98 HD13 ILE 15 2HD1 ILE 15 -0.474 1.808 -3.846
99 H CYS 16 H CYS 16 0.446 4.059 -0.244
100 HA CYS 16 HA CYS 16 -2.005 4.664 1.114
101 HB2 CYS 16 2HB CYS 16 0.383 2.948 1.656
102 HB3 CYS 16 1HB CYS 16 -0.725 3.308 2.977
103 HN1 NH2 17 2H CYS 16 0.979 6.832 2.867
104 HN2 NH2 17 1H CYS 16 1.386 5.689 1.680
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -8.602 -2.331 -5.183
2 H2 GLY 1 2HT GLY 1 -9.584 -1.171 -4.428
3 H3 GLY 1 3HT GLY 1 -8.724 -2.295 -3.492
4 HA2 GLY 1 2HA GLY 1 -7.198 -0.551 -5.287
5 HA3 GLY 1 1HA GLY 1 -7.850 0.140 -3.802
6 H ABA 2 H ABA 2 -5.107 -1.050 -4.963
7 HA ABA 2 HA ABA 2 -4.193 -3.079 -3.308
8 HB3 ABA 2 1HB ABA 2 -3.083 -1.251 -5.161
9 HB2 ABA 2 2HB ABA 2 -2.372 -2.734 -4.544
10 HG1 ABA 2 HG ABA 2 -1.860 0.072 -3.545
11 H CYS 3 H CYS 3 -4.839 0.239 -2.452
12 HA CYS 3 HA CYS 3 -3.238 0.310 -0.090
13 HB2 CYS 3 2HB CYS 3 -4.961 2.101 -1.421
14 HB3 CYS 3 1HB CYS 3 -5.628 1.898 0.193
15 H SER 4 H SER 4 -6.144 -1.271 -0.908
16 HA SER 4 HA SER 4 -7.081 -1.591 1.836
17 HB2 SER 4 2HB SER 4 -8.790 -1.455 0.161
18 HB3 SER 4 1HB SER 4 -8.011 -2.691 -0.818
19 HG SER 4 HG SER 4 -8.418 -3.607 1.690
20 H ASP 5 H ASP 5 -4.984 -3.152 -0.380
21 HA ASP 5 HA ASP 5 -5.072 -5.707 1.049
22 HB2 ASP 5 2HB ASP 5 -5.049 -5.625 -1.460
23 HB3 ASP 5 1HB ASP 5 -3.436 -4.932 -1.375
24 HA PRO 6 HA PRO 6 -1.674 -4.260 3.603
25 HB2 PRO 6 2HB PRO 6 -1.008 -6.851 4.477
26 HB3 PRO 6 1HB PRO 6 -2.129 -5.738 5.282
27 HG2 PRO 6 2HG PRO 6 -2.696 -8.041 3.512
28 HG3 PRO 6 1HG PRO 6 -3.634 -7.394 4.868
29 HD2 PRO 6 2HD PRO 6 -4.363 -7.007 2.279
30 HD3 PRO 6 1HD PRO 6 -4.701 -5.810 3.551
31 H ARG 7 H ARG 7 -1.621 -6.666 1.103
32 HA ARG 7 HA ARG 7 1.212 -7.059 0.996
33 HB2 ARG 7 2HB ARG 7 -1.052 -7.571 -0.934
34 HB3 ARG 7 1HB ARG 7 0.626 -7.825 -1.408
35 HG2 ARG 7 2HG ARG 7 0.699 -9.787 -0.297
36 HG3 ARG 7 1HG ARG 7 0.155 -9.013 1.192
37 HD2 ARG 7 2HD ARG 7 -2.136 -9.341 0.641
38 HD3 ARG 7 1HD ARG 7 -1.759 -9.720 -1.037
39 HE ARG 7 HE ARG 7 -1.111 -11.894 -0.372
40 HH11 ARG 7 1HH2 ARG 7 -1.873 -9.888 2.318
41 HH12 ARG 7 2HH2 ARG 7 -1.946 -11.202 3.439
42 HH21 ARG 7 1HH1 ARG 7 -1.206 -13.575 1.074
43 HH22 ARG 7 2HH1 ARG 7 -1.574 -13.277 2.736
44 H ABA 8 H ABA 8 -1.053 -4.914 -0.729
45 HA ABA 8 HA ABA 8 1.138 -3.614 -2.155
46 HB3 ABA 8 1HB ABA 8 -1.844 -3.384 -2.173
47 HB2 ABA 8 2HB ABA 8 -0.723 -3.543 -3.524
48 HG1 ABA 8 HG ABA 8 -0.159 -1.002 -2.269
49 H ASN 9 H ASN 9 -1.242 -2.764 0.339
50 HA ASN 9 HA ASN 9 -0.687 -0.179 0.944
51 HB2 ASN 9 2HB ASN 9 -2.191 -1.935 2.155
52 HB3 ASN 9 1HB ASN 9 -0.784 -2.194 3.181
53 HD21 ASN 9 1HD2 ASN 9 -3.513 -0.174 2.683
54 HD22 ASN 9 2HD2 ASN 9 -3.078 1.044 3.786
55 H TYR 10 H TYR 10 1.319 -2.964 1.872
56 HA TYR 10 HA TYR 10 3.301 -1.223 3.134
57 HB2 TYR 10 2HB TYR 10 2.926 -4.193 2.893
58 HB3 TYR 10 1HB TYR 10 4.497 -3.532 3.356
59 HD1 TYR 10 2HD TYR 10 0.876 -3.492 4.220
60 HD2 TYR 10 1HD TYR 10 4.887 -2.723 5.544
61 HE1 TYR 10 2HE TYR 10 0.046 -3.127 6.537
62 HE2 TYR 10 1HE TYR 10 4.056 -2.361 7.856
63 HH TYR 10 HH TYR 10 1.965 -1.718 8.961
64 H ASP 11 H ASP 11 2.786 -2.865 0.116
65 HA ASP 11 HA ASP 11 5.536 -2.771 -0.751
66 HB2 ASP 11 2HB ASP 11 3.929 -4.462 -1.590
67 HB3 ASP 11 1HB ASP 11 3.010 -3.179 -2.370
68 H HIS 12 H HIS 12 2.850 -0.568 -0.786
69 HA HIS 12 HA HIS 12 4.465 1.286 -2.445
70 HB2 HIS 12 2HB HIS 12 1.503 0.746 -2.521
71 HB3 HIS 12 1HB HIS 12 2.201 2.230 -3.169
72 HD2 HIS 12 2HD HIS 12 2.340 -1.636 -3.887
73 HE1 HIS 12 1HE HIS 12 4.064 0.399 -7.164
74 HE2 HIS 12 2HE HIS 12 3.371 -1.886 -6.279
75 HA PRO 13 HA PRO 13 3.485 3.044 1.882
76 HB2 PRO 13 2HB PRO 13 6.309 3.900 1.392
77 HB3 PRO 13 1HB PRO 13 5.550 3.326 2.891
78 HG2 PRO 13 2HG PRO 13 7.184 1.777 1.455
79 HG3 PRO 13 1HG PRO 13 5.790 1.118 2.326
80 HD2 PRO 13 2HD PRO 13 6.156 1.518 -0.601
81 HD3 PRO 13 1HD PRO 13 5.153 0.335 0.260
82 H GLU 14 H GLU 14 5.125 4.212 -1.025
83 HA GLU 14 HA GLU 14 4.877 6.981 -0.635
84 HB2 GLU 14 2HB GLU 14 4.781 6.951 -3.258
85 HB3 GLU 14 1HB GLU 14 6.244 6.425 -2.428
86 HG2 GLU 14 2HG GLU 14 4.189 4.326 -2.913
87 HG3 GLU 14 1HG GLU 14 5.021 4.939 -4.337
88 H ILE 15 H ILE 15 2.472 4.605 -1.471
89 HA ILE 15 HA ILE 15 0.539 6.765 -2.055
90 HB ILE 15 HB ILE 15 -0.587 5.382 -3.478
91 HG12 ILE 15 2HG1 ILE 15 0.351 2.977 -1.880
92 HG13 ILE 15 1HG1 ILE 15 -1.227 3.747 -1.723
93 HG21 ILE 15 1HG2 ILE 15 1.585 5.384 -4.465
94 HG22 ILE 15 2HG2 ILE 15 1.002 3.723 -4.569
95 HG23 ILE 15 3HG2 ILE 15 2.174 4.168 -3.334
96 HD11 ILE 15 3HD1 ILE 15 -1.119 3.327 -4.419
97 HD12 ILE 15 1HD1 ILE 15 -1.863 2.211 -3.276
98 HD13 ILE 15 2HD1 ILE 15 -0.209 1.939 -3.824
99 H CYS 16 H CYS 16 0.834 3.698 -0.258
100 HA CYS 16 HA CYS 16 -1.525 4.357 1.335
101 HB2 CYS 16 2HB CYS 16 0.310 1.957 1.306
102 HB3 CYS 16 1HB CYS 16 -1.112 2.118 2.327
103 HN1 NH2 17 2H CYS 16 1.809 5.325 3.278
104 HN2 NH2 17 1H CYS 16 1.722 5.186 1.593
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -7.904 1.213 -5.334
2 H2 GLY 1 2HT GLY 1 -7.201 0.183 -6.490
3 H3 GLY 1 3HT GLY 1 -6.218 1.074 -5.433
4 HA2 GLY 1 2HA GLY 1 -7.850 -0.341 -3.755
5 HA3 GLY 1 1HA GLY 1 -7.447 -1.473 -5.045
6 H ABA 2 H ABA 2 -6.094 -2.709 -3.655
7 HA ABA 2 HA ABA 2 -4.083 -3.359 -2.782
8 HB3 ABA 2 1HB ABA 2 -3.447 -1.388 -4.810
9 HB2 ABA 2 2HB ABA 2 -2.613 -2.879 -4.408
10 HG1 ABA 2 HG ABA 2 -1.822 -0.152 -3.639
11 H CYS 3 H CYS 3 -4.648 0.139 -2.384
12 HA CYS 3 HA CYS 3 -3.046 0.568 -0.130
13 HB2 CYS 3 2HB CYS 3 -5.017 2.013 -1.552
14 HB3 CYS 3 1HB CYS 3 -5.525 2.010 0.133
15 H SER 4 H SER 4 -6.019 -1.127 -0.495
16 HA SER 4 HA SER 4 -6.549 -1.251 2.380
17 HB2 SER 4 2HB SER 4 -8.387 -0.938 0.725
18 HB3 SER 4 1HB SER 4 -8.023 -2.533 0.077
19 HG SER 4 HG SER 4 -9.608 -2.830 1.585
20 H ASP 5 H ASP 5 -4.966 -3.042 -0.078
21 HA ASP 5 HA ASP 5 -5.059 -5.535 1.482
22 HB2 ASP 5 2HB ASP 5 -4.937 -4.917 -1.323
23 HB3 ASP 5 1HB ASP 5 -3.510 -5.845 -0.883
24 HA PRO 6 HA PRO 6 -1.238 -4.182 3.503
25 HB2 PRO 6 2HB PRO 6 -1.147 -7.170 3.807
26 HB3 PRO 6 1HB PRO 6 -0.820 -5.906 5.010
27 HG2 PRO 6 2HG PRO 6 -3.136 -7.242 4.960
28 HG3 PRO 6 1HG PRO 6 -3.042 -5.538 5.430
29 HD2 PRO 6 2HD PRO 6 -4.187 -6.732 2.978
30 HD3 PRO 6 1HD PRO 6 -4.496 -5.142 3.709
31 H ARG 7 H ARG 7 -1.351 -7.080 1.437
32 HA ARG 7 HA ARG 7 1.283 -7.394 0.734
33 HB2 ARG 7 2HB ARG 7 -0.628 -8.828 -0.009
34 HB3 ARG 7 1HB ARG 7 -1.059 -7.580 -1.179
35 HG2 ARG 7 2HG ARG 7 0.842 -7.947 -2.483
36 HG3 ARG 7 1HG ARG 7 1.753 -8.643 -1.141
37 HD2 ARG 7 2HD ARG 7 -0.668 -9.969 -2.391
38 HD3 ARG 7 1HD ARG 7 0.997 -10.327 -2.857
39 HE ARG 7 HE ARG 7 0.801 -10.575 -0.057
40 HH11 ARG 7 1HH2 ARG 7 -0.388 -12.075 -2.918
41 HH12 ARG 7 2HH2 ARG 7 -0.499 -13.641 -2.192
42 HH21 ARG 7 1HH1 ARG 7 0.650 -12.586 0.859
43 HH22 ARG 7 2HH1 ARG 7 0.086 -13.927 -0.075
44 H ABA 8 H ABA 8 -0.995 -5.000 -0.488
45 HA ABA 8 HA ABA 8 1.025 -3.876 -2.290
46 HB3 ABA 8 1HB ABA 8 -1.920 -3.517 -1.892
47 HB2 ABA 8 2HB ABA 8 -1.008 -3.753 -3.382
48 HG1 ABA 8 HG ABA 8 -0.182 -1.215 -2.264
49 H ASN 9 H ASN 9 -1.103 -2.688 0.316
50 HA ASN 9 HA ASN 9 -0.080 -0.190 0.771
51 HB2 ASN 9 2HB ASN 9 -1.906 -1.642 2.033
52 HB3 ASN 9 1HB ASN 9 -0.585 -1.916 3.164
53 HD21 ASN 9 1HD2 ASN 9 -3.180 0.002 2.879
54 HD22 ASN 9 2HD2 ASN 9 -2.577 1.431 3.566
55 H TYR 10 H TYR 10 1.395 -3.268 1.733
56 HA TYR 10 HA TYR 10 3.482 -2.039 3.305
57 HB2 TYR 10 2HB TYR 10 2.936 -4.812 2.286
58 HB3 TYR 10 1HB TYR 10 4.513 -4.420 2.970
59 HD1 TYR 10 2HD TYR 10 0.963 -3.510 3.815
60 HD2 TYR 10 1HD TYR 10 4.706 -5.102 5.182
61 HE1 TYR 10 2HE TYR 10 0.027 -3.749 6.102
62 HE2 TYR 10 1HE TYR 10 3.766 -5.343 7.467
63 HH TYR 10 HH TYR 10 0.755 -3.929 8.361
64 H ASP 11 H ASP 11 3.133 -3.111 -0.021
65 HA ASP 11 HA ASP 11 5.944 -2.563 -0.600
66 HB2 ASP 11 2HB ASP 11 3.738 -4.031 -1.911
67 HB3 ASP 11 1HB ASP 11 4.862 -3.216 -2.997
68 H HIS 12 H HIS 12 2.866 -1.017 -0.850
69 HA HIS 12 HA HIS 12 4.061 1.104 -2.550
70 HB2 HIS 12 2HB HIS 12 1.149 0.295 -2.326
71 HB3 HIS 12 1HB HIS 12 1.771 1.620 -3.310
72 HD2 HIS 12 2HD HIS 12 2.113 -2.332 -3.203
73 HE1 HIS 12 1HE HIS 12 3.128 -0.973 -7.066
74 HE2 HIS 12 2HE HIS 12 2.744 -3.037 -5.640
75 HA PRO 13 HA PRO 13 2.768 2.664 1.801
76 HB2 PRO 13 2HB PRO 13 5.296 3.812 2.235
77 HB3 PRO 13 1HB PRO 13 4.703 2.306 2.954
78 HG2 PRO 13 2HG PRO 13 6.501 2.719 0.639
79 HG3 PRO 13 1HG PRO 13 6.480 1.414 1.838
80 HD2 PRO 13 2HD PRO 13 5.555 1.061 -0.692
81 HD3 PRO 13 1HD PRO 13 4.843 0.212 0.701
82 H GLU 14 H GLU 14 4.522 3.845 -0.961
83 HA GLU 14 HA GLU 14 4.442 6.607 -0.614
84 HB2 GLU 14 2HB GLU 14 5.673 5.487 -2.417
85 HB3 GLU 14 1HB GLU 14 4.152 5.004 -3.168
86 HG2 GLU 14 2HG GLU 14 3.552 7.287 -3.618
87 HG3 GLU 14 1HG GLU 14 4.871 7.894 -2.621
88 H ILE 15 H ILE 15 1.960 4.446 -1.963
89 HA ILE 15 HA ILE 15 0.169 6.633 -2.554
90 HB ILE 15 HB ILE 15 -1.253 5.052 -3.504
91 HG12 ILE 15 2HG1 ILE 15 0.016 3.016 -1.651
92 HG13 ILE 15 1HG1 ILE 15 -1.639 3.612 -1.596
93 HG21 ILE 15 1HG2 ILE 15 1.075 5.124 -4.508
94 HG22 ILE 15 2HG2 ILE 15 0.148 3.667 -4.863
95 HG23 ILE 15 3HG2 ILE 15 1.411 3.627 -3.636
96 HD11 ILE 15 3HD1 ILE 15 -1.880 2.707 -3.982
97 HD12 ILE 15 1HD1 ILE 15 -1.777 1.511 -2.693
98 HD13 ILE 15 2HD1 ILE 15 -0.366 1.852 -3.692
99 H CYS 16 H CYS 16 0.264 4.070 -0.072
100 HA CYS 16 HA CYS 16 -2.125 5.134 1.205
101 HB2 CYS 16 2HB CYS 16 -0.580 2.688 1.357
102 HB3 CYS 16 1HB CYS 16 -0.931 3.321 2.965
103 HN1 NH2 17 2H CYS 16 1.221 6.461 3.075
104 HN2 NH2 17 1H CYS 16 1.353 5.495 1.686
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -8.802 -0.938 -4.160
2 H2 GLY 1 2HT GLY 1 -8.415 -2.591 -4.208
3 H3 GLY 1 3HT GLY 1 -9.330 -1.899 -5.454
4 HA2 GLY 1 2HA GLY 1 -7.398 -1.772 -6.549
5 HA3 GLY 1 1HA GLY 1 -7.143 -0.352 -5.536
6 H ABA 2 H ABA 2 -5.719 -0.473 -3.794
7 HA ABA 2 HA ABA 2 -4.427 -2.993 -3.129
8 HB3 ABA 2 1HB ABA 2 -3.316 -1.279 -5.103
9 HB2 ABA 2 2HB ABA 2 -2.620 -2.739 -4.423
10 HG1 ABA 2 HG ABA 2 -2.052 0.106 -3.575
11 H CYS 3 H CYS 3 -4.784 0.480 -2.597
12 HA CYS 3 HA CYS 3 -3.242 0.610 -0.212
13 HB2 CYS 3 2HB CYS 3 -4.696 2.429 -1.792
14 HB3 CYS 3 1HB CYS 3 -5.397 2.522 -0.177
15 H SER 4 H SER 4 -5.553 -1.458 -0.523
16 HA SER 4 HA SER 4 -6.566 -1.093 2.228
17 HB2 SER 4 2HB SER 4 -8.385 -0.536 0.674
18 HB3 SER 4 1HB SER 4 -8.168 -2.083 -0.138
19 HG SER 4 HG SER 4 -8.466 -2.964 2.114
20 H ASP 5 H ASP 5 -4.384 -2.703 0.850
21 HA ASP 5 HA ASP 5 -5.059 -5.251 2.131
22 HB2 ASP 5 2HB ASP 5 -5.053 -4.874 -0.698
23 HB3 ASP 5 1HB ASP 5 -3.648 -5.842 -0.292
24 HA PRO 6 HA PRO 6 -1.043 -4.728 3.843
25 HB2 PRO 6 2HB PRO 6 -0.421 -7.441 4.158
26 HB3 PRO 6 1HB PRO 6 -1.321 -6.440 5.313
27 HG2 PRO 6 2HG PRO 6 -2.322 -8.369 3.294
28 HG3 PRO 6 1HG PRO 6 -2.953 -7.984 4.905
29 HD2 PRO 6 2HD PRO 6 -4.141 -7.071 2.646
30 HD3 PRO 6 1HD PRO 6 -4.128 -6.124 4.150
31 H ARG 7 H ARG 7 -1.512 -6.843 1.083
32 HA ARG 7 HA ARG 7 1.248 -7.217 0.486
33 HB2 ARG 7 2HB ARG 7 0.457 -8.030 -1.692
34 HB3 ARG 7 1HB ARG 7 -0.516 -8.706 -0.386
35 HG2 ARG 7 2HG ARG 7 -1.950 -6.473 -0.886
36 HG3 ARG 7 1HG ARG 7 -1.267 -6.738 -2.489
37 HD2 ARG 7 2HD ARG 7 -2.027 -9.270 -1.858
38 HD3 ARG 7 1HD ARG 7 -3.255 -8.346 -0.990
39 HE ARG 7 HE ARG 7 -3.469 -7.146 -3.315
40 HH11 ARG 7 1HH2 ARG 7 -2.900 -10.498 -2.725
41 HH12 ARG 7 2HH2 ARG 7 -3.585 -10.995 -4.227
42 HH21 ARG 7 1HH1 ARG 7 -4.353 -7.811 -5.231
43 HH22 ARG 7 2HH1 ARG 7 -4.388 -9.496 -5.638
44 H ABA 8 H ABA 8 -1.134 -4.822 -0.550
45 HA ABA 8 HA ABA 8 0.879 -3.506 -2.225
46 HB3 ABA 8 1HB ABA 8 -2.085 -3.202 -1.846
47 HB2 ABA 8 2HB ABA 8 -1.179 -3.513 -3.324
48 HG1 ABA 8 HG ABA 8 -0.487 -0.896 -2.099
49 H ASN 9 H ASN 9 -1.334 -2.600 0.432
50 HA ASN 9 HA ASN 9 -0.524 -0.090 1.059
51 HB2 ASN 9 2HB ASN 9 -1.213 -2.416 2.853
52 HB3 ASN 9 1HB ASN 9 -0.876 -0.822 3.503
53 HD21 ASN 9 1HD2 ASN 9 -2.669 0.530 3.655
54 HD22 ASN 9 2HD2 ASN 9 -4.090 0.349 2.746
55 H TYR 10 H TYR 10 1.309 -3.054 1.685
56 HA TYR 10 HA TYR 10 3.381 -1.600 3.149
57 HB2 TYR 10 2HB TYR 10 2.905 -4.480 2.443
58 HB3 TYR 10 1HB TYR 10 4.496 -3.955 2.983
59 HD1 TYR 10 1HD TYR 10 0.878 -3.748 3.915
60 HD2 TYR 10 2HD TYR 10 4.949 -3.771 5.271
61 HE1 TYR 10 1HE TYR 10 0.094 -3.756 6.269
62 HE2 TYR 10 2HE TYR 10 4.163 -3.780 7.623
63 HH TYR 10 HH TYR 10 1.210 -4.621 8.571
64 H ASP 11 H ASP 11 2.997 -3.233 0.024
65 HA ASP 11 HA ASP 11 5.695 -2.742 -0.818
66 HB2 ASP 11 2HB ASP 11 3.838 -4.509 -1.589
67 HB3 ASP 11 1HB ASP 11 3.563 -3.279 -2.819
68 H HIS 12 H HIS 12 2.915 -0.798 -0.654
69 HA HIS 12 HA HIS 12 4.184 1.181 -2.454
70 HB2 HIS 12 2HB HIS 12 1.271 0.404 -2.287
71 HB3 HIS 12 1HB HIS 12 1.829 1.885 -3.061
72 HD2 HIS 12 2HD HIS 12 1.996 -1.997 -3.658
73 HE1 HIS 12 1HE HIS 12 3.526 -0.054 -7.085
74 HE2 HIS 12 2HE HIS 12 2.841 -2.303 -6.121
75 HA PRO 13 HA PRO 13 3.270 2.901 1.824
76 HB2 PRO 13 2HB PRO 13 5.798 3.964 2.173
77 HB3 PRO 13 1HB PRO 13 5.307 2.354 2.731
78 HG2 PRO 13 2HG PRO 13 6.852 3.133 0.315
79 HG3 PRO 13 1HG PRO 13 7.044 1.729 1.378
80 HD2 PRO 13 2HD PRO 13 5.843 1.567 -1.069
81 HD3 PRO 13 1HD PRO 13 5.408 0.506 0.289
82 H GLU 14 H GLU 14 4.972 4.168 -0.995
83 HA GLU 14 HA GLU 14 4.785 6.920 -0.464
84 HB2 GLU 14 2HB GLU 14 4.474 5.843 -3.250
85 HB3 GLU 14 1HB GLU 14 5.378 7.250 -2.692
86 HG2 GLU 14 2HG GLU 14 6.668 5.268 -1.339
87 HG3 GLU 14 1HG GLU 14 6.188 4.401 -2.797
88 H ILE 15 H ILE 15 2.399 4.626 -1.549
89 HA ILE 15 HA ILE 15 0.494 6.786 -2.146
90 HB ILE 15 HB ILE 15 -0.612 5.345 -3.520
91 HG12 ILE 15 2HG1 ILE 15 0.215 3.071 -1.691
92 HG13 ILE 15 1HG1 ILE 15 -1.377 3.827 -1.761
93 HG21 ILE 15 1HG2 ILE 15 1.997 3.828 -3.256
94 HG22 ILE 15 2HG2 ILE 15 1.786 5.299 -4.202
95 HG23 ILE 15 3HG2 ILE 15 0.923 3.829 -4.652
96 HD11 ILE 15 3HD1 ILE 15 -1.488 3.153 -4.192
97 HD12 ILE 15 1HD1 ILE 15 -1.485 1.802 -3.061
98 HD13 ILE 15 2HD1 ILE 15 -0.013 2.223 -3.935
99 H CYS 16 H CYS 16 0.788 3.866 -0.131
100 HA CYS 16 HA CYS 16 -1.642 4.563 1.335
101 HB2 CYS 16 2HB CYS 16 -0.069 2.180 0.919
102 HB3 CYS 16 1HB CYS 16 -0.369 2.432 2.640
103 HN1 NH2 17 2H CYS 16 1.617 5.761 3.347
104 HN2 NH2 17 1H CYS 16 1.694 5.321 1.707
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -9.645 -1.036 -3.484
2 H2 GLY 1 2HT GLY 1 -8.566 -1.046 -2.174
3 H3 GLY 1 3HT GLY 1 -9.132 -2.510 -2.826
4 HA2 GLY 1 2HA GLY 1 -7.871 -2.304 -4.763
5 HA3 GLY 1 1HA GLY 1 -7.584 -0.592 -4.458
6 H ABA 2 H ABA 2 -5.315 -1.592 -4.884
7 HA ABA 2 HA ABA 2 -3.936 -3.217 -3.141
8 HB3 ABA 2 1HB ABA 2 -3.272 -1.233 -5.137
9 HB2 ABA 2 2HB ABA 2 -2.417 -2.704 -4.704
10 HG1 ABA 2 HG ABA 2 -1.771 0.063 -3.842
11 H CYS 3 H CYS 3 -4.689 0.227 -2.661
12 HA CYS 3 HA CYS 3 -3.074 0.588 -0.377
13 HB2 CYS 3 2HB CYS 3 -4.906 2.160 -1.812
14 HB3 CYS 3 1HB CYS 3 -5.528 2.097 -0.168
15 H SER 4 H SER 4 -6.083 -1.012 -0.850
16 HA SER 4 HA SER 4 -6.621 -1.224 2.026
17 HB2 SER 4 2HB SER 4 -8.474 -0.829 0.388
18 HB3 SER 4 1HB SER 4 -8.142 -2.417 -0.298
19 HG SER 4 HG SER 4 -8.328 -3.037 2.120
20 H ASP 5 H ASP 5 -4.977 -2.870 -0.448
21 HA ASP 5 HA ASP 5 -5.148 -5.468 0.911
22 HB2 ASP 5 2HB ASP 5 -4.938 -4.696 -1.802
23 HB3 ASP 5 1HB ASP 5 -3.413 -5.467 -1.389
24 HA PRO 6 HA PRO 6 -1.622 -4.130 3.408
25 HB2 PRO 6 2HB PRO 6 -1.508 -7.133 3.477
26 HB3 PRO 6 1HB PRO 6 -1.276 -5.973 4.800
27 HG2 PRO 6 2HG PRO 6 -3.587 -7.278 4.446
28 HG3 PRO 6 1HG PRO 6 -3.524 -5.619 5.062
29 HD2 PRO 6 2HD PRO 6 -4.505 -6.588 2.460
30 HD3 PRO 6 1HD PRO 6 -4.790 -5.027 3.259
31 H ARG 7 H ARG 7 -1.235 -6.943 1.201
32 HA ARG 7 HA ARG 7 1.499 -6.893 0.881
33 HB2 ARG 7 2HB ARG 7 0.549 -8.634 -0.312
34 HB3 ARG 7 1HB ARG 7 -0.729 -7.618 -0.986
35 HG2 ARG 7 2HG ARG 7 0.707 -6.660 -2.598
36 HG3 ARG 7 1HG ARG 7 2.160 -7.118 -1.714
37 HD2 ARG 7 2HD ARG 7 2.173 -9.237 -2.560
38 HD3 ARG 7 1HD ARG 7 0.417 -9.346 -2.600
39 HE ARG 7 HE ARG 7 2.125 -8.096 -4.661
40 HH11 ARG 7 1HH2 ARG 7 -0.975 -9.083 -3.534
41 HH12 ARG 7 2HH2 ARG 7 -1.745 -8.815 -5.055
42 HH21 ARG 7 1HH1 ARG 7 1.120 -7.758 -6.615
43 HH22 ARG 7 2HH1 ARG 7 -0.572 -8.084 -6.785
44 H ABA 8 H ABA 8 -0.882 -4.962 -0.947
45 HA ABA 8 HA ABA 8 1.158 -3.528 -2.380
46 HB3 ABA 8 1HB ABA 8 -1.822 -3.286 -2.110
47 HB2 ABA 8 2HB ABA 8 -0.851 -3.544 -3.559
48 HG1 ABA 8 HG ABA 8 -0.089 -0.970 -2.504
49 H ASN 9 H ASN 9 -1.161 -2.542 0.138
50 HA ASN 9 HA ASN 9 -0.271 -0.009 0.693
51 HB2 ASN 9 2HB ASN 9 -2.151 -1.414 1.799
52 HB3 ASN 9 1HB ASN 9 -0.904 -1.909 2.940
53 HD21 ASN 9 1HD2 ASN 9 -3.284 0.384 2.487
54 HD22 ASN 9 2HD2 ASN 9 -2.657 1.605 3.490
55 H TYR 10 H TYR 10 1.257 -3.050 1.608
56 HA TYR 10 HA TYR 10 3.276 -1.741 3.246
57 HB2 TYR 10 2HB TYR 10 2.759 -4.597 2.428
58 HB3 TYR 10 1HB TYR 10 4.228 -4.129 3.277
59 HD1 TYR 10 1HD TYR 10 0.687 -2.931 3.650
60 HD2 TYR 10 2HD TYR 10 4.035 -4.900 5.480
61 HE1 TYR 10 1HE TYR 10 -0.537 -3.006 5.802
62 HE2 TYR 10 2HE TYR 10 2.805 -4.970 7.634
63 HH TYR 10 HH TYR 10 0.577 -3.231 8.530
64 H ASP 11 H ASP 11 2.985 -3.039 -0.003
65 HA ASP 11 HA ASP 11 5.833 -2.808 -0.553
66 HB2 ASP 11 2HB ASP 11 4.273 -4.561 -1.543
67 HB3 ASP 11 1HB ASP 11 3.596 -3.276 -2.530
68 H HIS 12 H HIS 12 2.886 -0.977 -1.088
69 HA HIS 12 HA HIS 12 4.457 1.153 -2.437
70 HB2 HIS 12 2HB HIS 12 1.465 0.701 -2.604
71 HB3 HIS 12 1HB HIS 12 2.413 1.861 -3.529
72 HD2 HIS 12 2HD HIS 12 2.188 -2.092 -3.258
73 HE1 HIS 12 1HE HIS 12 3.597 -1.046 -7.098
74 HE2 HIS 12 2HE HIS 12 2.931 -2.989 -5.601
75 HA PRO 13 HA PRO 13 2.757 2.522 1.824
76 HB2 PRO 13 2HB PRO 13 5.249 3.525 2.631
77 HB3 PRO 13 1HB PRO 13 4.549 1.974 3.130
78 HG2 PRO 13 2HG PRO 13 6.594 2.549 1.062
79 HG3 PRO 13 1HG PRO 13 6.425 1.146 2.129
80 HD2 PRO 13 2HD PRO 13 5.762 1.052 -0.505
81 HD3 PRO 13 1HD PRO 13 4.909 0.089 0.723
82 H GLU 14 H GLU 14 4.906 3.882 -0.582
83 HA GLU 14 HA GLU 14 4.777 6.602 0.029
84 HB2 GLU 14 2HB GLU 14 4.735 5.674 -2.822
85 HB3 GLU 14 1HB GLU 14 5.670 6.974 -2.083
86 HG2 GLU 14 2HG GLU 14 6.645 4.857 -0.692
87 HG3 GLU 14 1HG GLU 14 6.248 4.061 -2.212
88 H ILE 15 H ILE 15 2.412 4.542 -1.559
89 HA ILE 15 HA ILE 15 0.768 6.850 -2.305
90 HB ILE 15 HB ILE 15 -0.406 5.443 -3.704
91 HG12 ILE 15 2HG1 ILE 15 0.290 3.169 -1.819
92 HG13 ILE 15 1HG1 ILE 15 -1.292 3.920 -2.019
93 HG21 ILE 15 1HG2 ILE 15 1.156 3.983 -4.821
94 HG22 ILE 15 2HG2 ILE 15 2.127 3.823 -3.359
95 HG23 ILE 15 3HG2 ILE 15 2.070 5.365 -4.213
96 HD11 ILE 15 3HD1 ILE 15 -1.345 1.904 -3.303
97 HD12 ILE 15 1HD1 ILE 15 0.226 2.244 -4.028
98 HD13 ILE 15 2HD1 ILE 15 -1.176 3.220 -4.462
99 H CYS 16 H CYS 16 0.632 4.048 -0.152
100 HA CYS 16 HA CYS 16 -1.949 4.799 0.915
101 HB2 CYS 16 2HB CYS 16 0.063 2.688 1.695
102 HB3 CYS 16 1HB CYS 16 -1.486 2.912 2.497
103 HN1 NH2 17 2H CYS 16 1.007 6.276 3.252
104 HN2 NH2 17 1H CYS 16 1.382 5.496 1.791
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -8.812 -2.345 -2.731
2 H2 GLY 1 2HT GLY 1 -8.807 -3.176 -4.213
3 H3 GLY 1 3HT GLY 1 -9.710 -1.748 -4.038
4 HA2 GLY 1 2HA GLY 1 -7.471 -1.635 -5.250
5 HA3 GLY 1 1HA GLY 1 -7.866 -0.389 -4.071
6 H ABA 2 H ABA 2 -5.231 -1.200 -4.856
7 HA ABA 2 HA ABA 2 -3.918 -2.984 -3.180
8 HB3 ABA 2 1HB ABA 2 -3.203 -0.796 -4.949
9 HB2 ABA 2 2HB ABA 2 -2.357 -2.299 -4.638
10 HG1 ABA 2 HG ABA 2 -1.779 0.358 -3.450
11 H CYS 3 H CYS 3 -4.999 0.299 -2.428
12 HA CYS 3 HA CYS 3 -3.461 0.597 -0.055
13 HB2 CYS 3 2HB CYS 3 -5.329 2.156 -1.472
14 HB3 CYS 3 1HB CYS 3 -5.986 1.966 0.151
15 H SER 4 H SER 4 -6.406 -1.098 -0.773
16 HA SER 4 HA SER 4 -7.042 -1.494 2.062
17 HB2 SER 4 2HB SER 4 -8.861 -1.128 0.414
18 HB3 SER 4 1HB SER 4 -8.389 -2.616 -0.400
19 HG SER 4 HG SER 4 -8.669 -3.621 1.755
20 H ASP 5 H ASP 5 -4.892 -2.812 -0.042
21 HA ASP 5 HA ASP 5 -5.102 -5.493 1.196
22 HB2 ASP 5 2HB ASP 5 -5.147 -4.861 -1.501
23 HB3 ASP 5 1HB ASP 5 -3.472 -5.323 -1.223
24 HA PRO 6 HA PRO 6 -1.402 -4.070 3.373
25 HB2 PRO 6 2HB PRO 6 -1.262 -7.055 3.693
26 HB3 PRO 6 1HB PRO 6 -1.021 -5.783 4.909
27 HG2 PRO 6 2HG PRO 6 -3.293 -7.175 4.775
28 HG3 PRO 6 1HG PRO 6 -3.272 -5.461 5.216
29 HD2 PRO 6 2HD PRO 6 -4.227 -6.733 2.708
30 HD3 PRO 6 1HD PRO 6 -4.677 -5.171 3.428
31 H ARG 7 H ARG 7 -1.578 -6.787 1.112
32 HA ARG 7 HA ARG 7 1.084 -7.220 0.508
33 HB2 ARG 7 2HB ARG 7 -1.265 -7.179 -1.411
34 HB3 ARG 7 1HB ARG 7 0.298 -7.929 -1.735
35 HG2 ARG 7 2HG ARG 7 -0.755 -8.816 0.825
36 HG3 ARG 7 1HG ARG 7 -1.913 -9.125 -0.471
37 HD2 ARG 7 2HD ARG 7 1.016 -9.880 -0.625
38 HD3 ARG 7 1HD ARG 7 -0.251 -10.983 -0.086
39 HE ARG 7 HE ARG 7 -1.002 -9.895 -2.590
40 HH11 ARG 7 1HH2 ARG 7 1.322 -11.999 -1.176
41 HH12 ARG 7 2HH2 ARG 7 1.514 -12.947 -2.609
42 HH21 ARG 7 1HH1 ARG 7 -0.748 -11.119 -4.426
43 HH22 ARG 7 2HH1 ARG 7 0.338 -12.468 -4.430
44 H ABA 8 H ABA 8 -1.085 -4.727 -0.797
45 HA ABA 8 HA ABA 8 1.090 -3.528 -2.336
46 HB3 ABA 8 1HB ABA 8 -1.863 -3.171 -2.145
47 HB2 ABA 8 2HB ABA 8 -0.831 -3.248 -3.571
48 HG1 ABA 8 HG ABA 8 -0.059 -0.831 -2.289
49 H ASN 9 H ASN 9 -1.116 -2.530 0.286
50 HA ASN 9 HA ASN 9 -0.116 -0.051 0.910
51 HB2 ASN 9 2HB ASN 9 -1.912 -1.739 2.071
52 HB3 ASN 9 1HB ASN 9 -0.628 -1.747 3.276
53 HD21 ASN 9 1HD2 ASN 9 -3.442 -0.216 2.724
54 HD22 ASN 9 2HD2 ASN 9 -3.069 1.325 3.326
55 H TYR 10 H TYR 10 1.372 -3.166 1.657
56 HA TYR 10 HA TYR 10 3.448 -1.946 3.304
57 HB2 TYR 10 2HB TYR 10 2.832 -4.742 2.399
58 HB3 TYR 10 1HB TYR 10 4.414 -4.359 3.067
59 HD1 TYR 10 1HD TYR 10 0.805 -3.634 3.833
60 HD2 TYR 10 2HD TYR 10 4.689 -4.657 5.354
61 HE1 TYR 10 1HE TYR 10 -0.128 -3.763 6.134
62 HE2 TYR 10 2HE TYR 10 3.755 -4.784 7.648
63 HH TYR 10 HH TYR 10 1.963 -4.503 8.928
64 H ASP 11 H ASP 11 2.980 -2.925 0.011
65 HA ASP 11 HA ASP 11 5.810 -2.751 -0.653
66 HB2 ASP 11 2HB ASP 11 3.340 -3.698 -1.962
67 HB3 ASP 11 1HB ASP 11 4.498 -2.939 -3.042
68 H HIS 12 H HIS 12 2.898 -0.836 -0.907
69 HA HIS 12 HA HIS 12 4.445 1.294 -2.270
70 HB2 HIS 12 2HB HIS 12 1.466 0.761 -2.356
71 HB3 HIS 12 1HB HIS 12 2.304 2.067 -3.193
72 HD2 HIS 12 2HD HIS 12 2.155 -1.884 -3.365
73 HE1 HIS 12 1HE HIS 12 3.847 -0.417 -6.945
74 HE2 HIS 12 2HE HIS 12 3.030 -2.508 -5.755
75 HA PRO 13 HA PRO 13 3.196 2.800 2.008
76 HB2 PRO 13 2HB PRO 13 5.695 3.842 2.574
77 HB3 PRO 13 1HB PRO 13 5.162 2.216 3.041
78 HG2 PRO 13 2HG PRO 13 6.875 3.069 0.763
79 HG3 PRO 13 1HG PRO 13 6.993 1.629 1.791
80 HD2 PRO 13 2HD PRO 13 5.968 1.537 -0.732
81 HD3 PRO 13 1HD PRO 13 5.410 0.455 0.568
82 H GLU 14 H GLU 14 4.961 4.132 -0.706
83 HA GLU 14 HA GLU 14 4.757 6.885 -0.042
84 HB2 GLU 14 2HB GLU 14 6.351 6.162 -1.714
85 HB3 GLU 14 1HB GLU 14 5.063 5.489 -2.714
86 HG2 GLU 14 2HG GLU 14 4.171 7.651 -3.205
87 HG3 GLU 14 1HG GLU 14 5.127 8.415 -1.940
88 H ILE 15 H ILE 15 2.670 4.699 -1.907
89 HA ILE 15 HA ILE 15 0.811 6.825 -2.553
90 HB ILE 15 HB ILE 15 -0.246 5.329 -3.940
91 HG12 ILE 15 2HG1 ILE 15 0.602 3.053 -2.116
92 HG13 ILE 15 1HG1 ILE 15 -0.995 3.799 -2.128
93 HG21 ILE 15 1HG2 ILE 15 2.418 3.941 -3.524
94 HG22 ILE 15 2HG2 ILE 15 2.168 5.370 -4.525
95 HG23 ILE 15 3HG2 ILE 15 1.408 3.840 -4.963
96 HD11 ILE 15 3HD1 ILE 15 -0.272 3.075 -4.817
97 HD12 ILE 15 1HD1 ILE 15 -1.625 2.497 -3.847
98 HD13 ILE 15 2HD1 ILE 15 -0.067 1.677 -3.764
99 H CYS 16 H CYS 16 0.786 3.962 -0.425
100 HA CYS 16 HA CYS 16 -1.719 4.882 0.790
101 HB2 CYS 16 2HB CYS 16 -0.073 2.369 1.088
102 HB3 CYS 16 1HB CYS 16 -1.496 2.722 2.061
103 HN1 NH2 17 2H CYS 16 1.121 6.294 2.952
104 HN2 NH2 17 1H CYS 16 0.962 6.294 1.267
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -8.317 -0.552 -5.448
2 H2 GLY 1 2HT GLY 1 -7.125 -1.630 -5.989
3 H3 GLY 1 3HT GLY 1 -6.693 -0.287 -5.047
4 HA2 GLY 1 2HA GLY 1 -8.387 -1.410 -3.360
5 HA3 GLY 1 1HA GLY 1 -7.851 -2.846 -4.228
6 H ABA 2 H ABA 2 -5.211 -2.012 -4.817
7 HA ABA 2 HA ABA 2 -3.741 -2.959 -2.733
8 HB3 ABA 2 1HB ABA 2 -3.144 -1.228 -5.063
9 HB2 ABA 2 2HB ABA 2 -2.439 -2.767 -4.597
10 HG1 ABA 2 HG ABA 2 -1.485 -0.040 -3.841
11 H CYS 3 H CYS 3 -5.085 0.273 -2.930
12 HA CYS 3 HA CYS 3 -3.383 1.469 -0.978
13 HB2 CYS 3 2HB CYS 3 -5.512 2.331 -2.590
14 HB3 CYS 3 1HB CYS 3 -6.048 2.585 -0.930
15 H SER 4 H SER 4 -5.811 -0.872 -0.769
16 HA SER 4 HA SER 4 -5.896 -0.588 2.179
17 HB2 SER 4 2HB SER 4 -8.038 0.159 1.046
18 HB3 SER 4 1HB SER 4 -8.224 -1.499 0.487
19 HG SER 4 HG SER 4 -9.105 -1.808 2.374
20 H ASP 5 H ASP 5 -4.198 -2.196 0.428
21 HA ASP 5 HA ASP 5 -5.037 -4.896 1.306
22 HB2 ASP 5 2HB ASP 5 -5.000 -4.252 -1.264
23 HB3 ASP 5 1HB ASP 5 -3.275 -4.547 -1.083
24 HA PRO 6 HA PRO 6 -1.313 -4.373 3.807
25 HB2 PRO 6 2HB PRO 6 -1.784 -7.326 4.006
26 HB3 PRO 6 1HB PRO 6 -1.436 -6.152 5.292
27 HG2 PRO 6 2HG PRO 6 -3.893 -7.079 4.915
28 HG3 PRO 6 1HG PRO 6 -3.608 -5.390 5.370
29 HD2 PRO 6 2HD PRO 6 -4.439 -6.512 2.730
30 HD3 PRO 6 1HD PRO 6 -4.806 -4.928 3.452
31 H ARG 7 H ARG 7 -1.833 -6.459 1.082
32 HA ARG 7 HA ARG 7 0.922 -7.334 0.865
33 HB2 ARG 7 2HB ARG 7 -1.558 -7.648 -0.812
34 HB3 ARG 7 1HB ARG 7 0.024 -8.073 -1.473
35 HG2 ARG 7 2HG ARG 7 -0.828 -9.102 1.229
36 HG3 ARG 7 1HG ARG 7 -1.346 -9.923 -0.243
37 HD2 ARG 7 2HD ARG 7 1.532 -9.237 -0.130
38 HD3 ARG 7 1HD ARG 7 1.006 -10.450 1.035
39 HE ARG 7 HE ARG 7 -0.053 -11.562 -1.041
40 HH11 ARG 7 1HH2 ARG 7 2.877 -9.738 -1.039
41 HH12 ARG 7 2HH2 ARG 7 3.494 -10.510 -2.456
42 HH21 ARG 7 1HH1 ARG 7 0.750 -12.536 -2.852
43 HH22 ARG 7 2HH1 ARG 7 2.305 -12.088 -3.468
44 H ABA 8 H ABA 8 -1.105 -4.804 -0.449
45 HA ABA 8 HA ABA 8 1.007 -3.908 -2.279
46 HB3 ABA 8 1HB ABA 8 -1.876 -3.177 -1.840
47 HB2 ABA 8 2HB ABA 8 -1.083 -3.717 -3.318
48 HG1 ABA 8 HG ABA 8 0.149 -1.210 -2.534
49 H ASN 9 H ASN 9 -0.996 -2.490 0.317
50 HA ASN 9 HA ASN 9 0.227 -0.086 0.730
51 HB2 ASN 9 2HB ASN 9 -0.814 -2.073 2.757
52 HB3 ASN 9 1HB ASN 9 -0.346 -0.431 3.171
53 HD21 ASN 9 1HD2 ASN 9 -1.684 1.337 2.345
54 HD22 ASN 9 2HD2 ASN 9 -3.238 1.025 1.725
55 H TYR 10 H TYR 10 1.512 -3.252 1.558
56 HA TYR 10 HA TYR 10 3.683 -2.209 3.166
57 HB2 TYR 10 2HB TYR 10 2.857 -4.914 2.177
58 HB3 TYR 10 1HB TYR 10 4.505 -4.682 2.757
59 HD1 TYR 10 1HD TYR 10 1.186 -3.309 3.856
60 HD2 TYR 10 2HD TYR 10 4.715 -5.510 4.927
61 HE1 TYR 10 1HE TYR 10 0.387 -3.454 6.201
62 HE2 TYR 10 2HE TYR 10 3.909 -5.655 7.272
63 HH TYR 10 HH TYR 10 0.963 -5.325 8.213
64 H ASP 11 H ASP 11 3.208 -3.192 -0.159
65 HA ASP 11 HA ASP 11 6.047 -2.923 -0.779
66 HB2 ASP 11 2HB ASP 11 3.983 -4.459 -1.832
67 HB3 ASP 11 1HB ASP 11 4.239 -3.215 -3.050
68 H HIS 12 H HIS 12 3.072 -1.131 -1.030
69 HA HIS 12 HA HIS 12 4.501 1.041 -2.461
70 HB2 HIS 12 2HB HIS 12 1.554 0.354 -2.449
71 HB3 HIS 12 1HB HIS 12 2.247 1.784 -3.215
72 HD2 HIS 12 2HD HIS 12 2.529 -2.154 -3.645
73 HE1 HIS 12 1HE HIS 12 3.682 -0.269 -7.243
74 HE2 HIS 12 2HE HIS 12 3.304 -2.519 -6.117
75 HA PRO 13 HA PRO 13 3.455 2.638 1.750
76 HB2 PRO 13 2HB PRO 13 5.848 3.838 2.239
77 HB3 PRO 13 1HB PRO 13 5.559 2.111 2.535
78 HG2 PRO 13 2HG PRO 13 6.945 3.432 0.251
79 HG3 PRO 13 1HG PRO 13 7.359 1.940 1.112
80 HD2 PRO 13 2HD PRO 13 6.078 1.980 -1.326
81 HD3 PRO 13 1HD PRO 13 5.927 0.655 -0.153
82 H GLU 14 H GLU 14 4.353 4.050 -1.247
83 HA GLU 14 HA GLU 14 4.211 6.809 -0.382
84 HB2 GLU 14 2HB GLU 14 4.261 7.321 -2.811
85 HB3 GLU 14 1HB GLU 14 5.575 6.256 -2.308
86 HG2 GLU 14 2HG GLU 14 3.176 4.764 -3.075
87 HG3 GLU 14 1HG GLU 14 3.790 5.760 -4.390
88 H ILE 15 H ILE 15 1.918 4.429 -1.474
89 HA ILE 15 HA ILE 15 -0.119 6.393 -2.125
90 HB ILE 15 HB ILE 15 -1.559 4.241 -2.240
91 HG12 ILE 15 2HG1 ILE 15 1.185 2.967 -2.267
92 HG13 ILE 15 1HG1 ILE 15 0.128 2.906 -0.862
93 HG21 ILE 15 1HG2 ILE 15 0.770 4.962 -3.996
94 HG22 ILE 15 2HG2 ILE 15 -0.958 5.119 -4.315
95 HG23 ILE 15 3HG2 ILE 15 -0.189 3.531 -4.371
96 HD11 ILE 15 3HD1 ILE 15 -0.602 0.980 -1.857
97 HD12 ILE 15 1HD1 ILE 15 -0.091 1.501 -3.464
98 HD13 ILE 15 2HD1 ILE 15 -1.604 2.096 -2.784
99 H CYS 16 H CYS 16 -1.304 3.729 -0.372
100 HA CYS 16 HA CYS 16 -2.152 5.503 1.796
101 HB2 CYS 16 2HB CYS 16 -2.969 2.724 0.966
102 HB3 CYS 16 1HB CYS 16 -3.570 3.513 2.416
103 HN1 NH2 17 2H CYS 16 0.700 4.130 3.571
104 HN2 NH2 17 1H CYS 16 0.314 5.385 2.497
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -8.110 0.614 -3.311
2 H2 GLY 1 2HT GLY 1 -8.484 -0.688 -2.285
3 H3 GLY 1 3HT GLY 1 -9.458 -0.358 -3.633
4 HA2 GLY 1 2HA GLY 1 -8.203 -2.140 -4.363
5 HA3 GLY 1 1HA GLY 1 -7.336 -0.744 -5.003
6 H ABA 2 H ABA 2 -5.302 -1.696 -4.992
7 HA ABA 2 HA ABA 2 -4.081 -3.283 -3.127
8 HB3 ABA 2 1HB ABA 2 -3.243 -1.552 -5.271
9 HB2 ABA 2 2HB ABA 2 -2.502 -3.032 -4.687
10 HG1 ABA 2 HG ABA 2 -1.702 -0.232 -4.025
11 H CYS 3 H CYS 3 -4.710 0.168 -2.806
12 HA CYS 3 HA CYS 3 -2.981 0.701 -0.631
13 HB2 CYS 3 2HB CYS 3 -4.895 2.145 -2.071
14 HB3 CYS 3 1HB CYS 3 -5.480 2.148 -0.413
15 H SER 4 H SER 4 -5.908 -1.073 -0.856
16 HA SER 4 HA SER 4 -6.267 -1.101 2.071
17 HB2 SER 4 2HB SER 4 -8.233 -0.666 0.564
18 HB3 SER 4 1HB SER 4 -8.044 -2.303 -0.055
19 HG SER 4 HG SER 4 -8.133 -2.909 2.286
20 H ASP 5 H ASP 5 -4.603 -2.765 -0.249
21 HA ASP 5 HA ASP 5 -5.028 -5.417 0.933
22 HB2 ASP 5 2HB ASP 5 -4.965 -5.061 -1.577
23 HB3 ASP 5 1HB ASP 5 -3.252 -4.701 -1.402
24 HA PRO 6 HA PRO 6 -1.537 -4.649 3.638
25 HB2 PRO 6 2HB PRO 6 -1.614 -7.613 3.893
26 HB3 PRO 6 1HB PRO 6 -1.670 -6.369 5.158
27 HG2 PRO 6 2HG PRO 6 -3.844 -7.757 4.454
28 HG3 PRO 6 1HG PRO 6 -3.932 -6.055 4.939
29 HD2 PRO 6 2HD PRO 6 -4.132 -7.243 2.199
30 HD3 PRO 6 1HD PRO 6 -4.942 -5.811 2.873
31 H ARG 7 H ARG 7 -1.636 -6.607 0.814
32 HA ARG 7 HA ARG 7 1.218 -7.224 0.861
33 HB2 ARG 7 2HB ARG 7 -0.721 -8.680 -0.130
34 HB3 ARG 7 1HB ARG 7 -0.562 -7.615 -1.527
35 HG2 ARG 7 2HG ARG 7 1.822 -8.178 -1.717
36 HG3 ARG 7 1HG ARG 7 1.712 -9.195 -0.278
37 HD2 ARG 7 2HD ARG 7 0.066 -9.639 -2.785
38 HD3 ARG 7 1HD ARG 7 1.585 -10.473 -2.451
39 HE ARG 7 HE ARG 7 0.067 -10.919 -0.201
40 HH11 ARG 7 1HH2 ARG 7 -0.334 -11.407 -3.583
41 HH12 ARG 7 2HH2 ARG 7 -1.381 -12.769 -3.388
42 HH21 ARG 7 1HH1 ARG 7 -1.265 -12.695 0.036
43 HH22 ARG 7 2HH1 ARG 7 -1.914 -13.478 -1.360
44 H ABA 8 H ABA 8 -1.031 -5.048 -0.786
45 HA ABA 8 HA ABA 8 1.117 -3.889 -2.396
46 HB3 ABA 8 1HB ABA 8 -1.854 -3.527 -2.240
47 HB2 ABA 8 2HB ABA 8 -0.844 -3.874 -3.641
48 HG1 ABA 8 HG ABA 8 -0.069 -1.270 -2.628
49 H ASN 9 H ASN 9 -1.214 -2.694 0.029
50 HA ASN 9 HA ASN 9 -0.308 -0.147 0.443
51 HB2 ASN 9 2HB ASN 9 -2.212 -1.353 1.617
52 HB3 ASN 9 1HB ASN 9 -1.008 -2.014 2.717
53 HD21 ASN 9 1HD2 ASN 9 -3.176 0.501 2.449
54 HD22 ASN 9 2HD2 ASN 9 -2.405 1.612 3.480
55 H TYR 10 H TYR 10 1.113 -3.120 1.746
56 HA TYR 10 HA TYR 10 3.119 -1.838 3.323
57 HB2 TYR 10 2HB TYR 10 2.627 -4.618 2.316
58 HB3 TYR 10 1HB TYR 10 4.208 -4.220 2.981
59 HD1 TYR 10 2HD TYR 10 0.623 -3.456 3.837
60 HD2 TYR 10 1HD TYR 10 4.474 -4.759 5.215
61 HE1 TYR 10 2HE TYR 10 -0.278 -3.697 6.139
62 HE2 TYR 10 1HE TYR 10 3.572 -4.999 7.510
63 HH TYR 10 HH TYR 10 1.571 -5.225 8.676
64 H ASP 11 H ASP 11 3.154 -3.308 0.083
65 HA ASP 11 HA ASP 11 5.911 -2.731 -0.408
66 HB2 ASP 11 2HB ASP 11 3.604 -3.690 -2.059
67 HB3 ASP 11 1HB ASP 11 5.090 -3.181 -2.855
68 H HIS 12 H HIS 12 2.988 -0.887 -0.744
69 HA HIS 12 HA HIS 12 4.501 1.184 -2.236
70 HB2 HIS 12 2HB HIS 12 1.532 0.603 -2.240
71 HB3 HIS 12 1HB HIS 12 2.293 1.961 -3.067
72 HD2 HIS 12 2HD HIS 12 2.398 -2.006 -3.291
73 HE1 HIS 12 1HE HIS 12 3.751 -0.380 -6.949
74 HE2 HIS 12 2HE HIS 12 3.204 -2.542 -5.723
75 HA PRO 13 HA PRO 13 3.364 2.882 2.015
76 HB2 PRO 13 2HB PRO 13 6.144 3.866 1.956
77 HB3 PRO 13 1HB PRO 13 5.303 2.945 3.215
78 HG2 PRO 13 2HG PRO 13 7.228 1.878 1.663
79 HG3 PRO 13 1HG PRO 13 5.884 0.935 2.323
80 HD2 PRO 13 2HD PRO 13 6.291 1.933 -0.468
81 HD3 PRO 13 1HD PRO 13 5.522 0.438 0.106
82 H GLU 14 H GLU 14 4.273 3.949 -1.027
83 HA GLU 14 HA GLU 14 4.387 6.793 -0.449
84 HB2 GLU 14 2HB GLU 14 4.062 5.692 -3.219
85 HB3 GLU 14 1HB GLU 14 4.993 7.085 -2.671
86 HG2 GLU 14 2HG GLU 14 6.331 5.178 -1.342
87 HG3 GLU 14 1HG GLU 14 5.727 4.190 -2.670
88 H ILE 15 H ILE 15 2.082 4.504 -1.882
89 HA ILE 15 HA ILE 15 0.190 6.567 -2.566
90 HB ILE 15 HB ILE 15 -1.241 4.799 -3.307
91 HG12 ILE 15 2HG1 ILE 15 0.565 2.932 -1.732
92 HG13 ILE 15 1HG1 ILE 15 -1.107 3.325 -1.343
93 HG21 ILE 15 1HG2 ILE 15 1.643 3.961 -3.745
94 HG22 ILE 15 2HG2 ILE 15 0.796 5.208 -4.662
95 HG23 ILE 15 3HG2 ILE 15 0.272 3.527 -4.764
96 HD11 ILE 15 3HD1 ILE 15 -1.014 1.175 -2.506
97 HD12 ILE 15 1HD1 ILE 15 -0.142 1.916 -3.847
98 HD13 ILE 15 2HD1 ILE 15 -1.815 2.370 -3.527
99 H CYS 16 H CYS 16 0.286 4.046 -0.034
100 HA CYS 16 HA CYS 16 -1.952 5.399 1.327
101 HB2 CYS 16 2HB CYS 16 -0.947 2.649 1.214
102 HB3 CYS 16 1HB CYS 16 -1.350 3.186 2.844
103 HN1 NH2 17 2H CYS 16 1.578 5.303 3.408
104 HN2 NH2 17 1H CYS 16 1.377 4.254 2.090
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -9.553 -3.160 -3.771
2 H2 GLY 1 2HT GLY 1 -8.682 -3.316 -2.323
3 H3 GLY 1 3HT GLY 1 -8.158 -4.120 -3.722
4 HA2 GLY 1 2HA GLY 1 -7.619 -2.065 -4.798
5 HA3 GLY 1 1HA GLY 1 -8.286 -1.170 -3.433
6 H ABA 2 H ABA 2 -5.448 -1.820 -4.724
7 HA ABA 2 HA ABA 2 -3.794 -3.073 -2.926
8 HB3 ABA 2 1HB ABA 2 -3.452 -0.961 -4.959
9 HB2 ABA 2 2HB ABA 2 -2.579 -2.468 -4.740
10 HG1 ABA 2 HG ABA 2 -1.760 0.190 -3.789
11 H CYS 3 H CYS 3 -4.863 0.331 -2.749
12 HA CYS 3 HA CYS 3 -3.359 1.017 -0.454
13 HB2 CYS 3 2HB CYS 3 -5.291 2.284 -2.082
14 HB3 CYS 3 1HB CYS 3 -5.900 2.363 -0.430
15 H SER 4 H SER 4 -6.119 -0.944 -0.902
16 HA SER 4 HA SER 4 -6.669 -1.029 2.003
17 HB2 SER 4 2HB SER 4 -8.561 -0.501 0.413
18 HB3 SER 4 1HB SER 4 -8.372 -2.127 -0.235
19 HG SER 4 HG SER 4 -8.598 -2.831 2.026
20 H ASP 5 H ASP 5 -4.763 -2.492 -0.134
21 HA ASP 5 HA ASP 5 -5.174 -5.211 0.953
22 HB2 ASP 5 2HB ASP 5 -5.023 -4.367 -1.708
23 HB3 ASP 5 1HB ASP 5 -3.436 -5.044 -1.375
24 HA PRO 6 HA PRO 6 -1.476 -4.196 3.318
25 HB2 PRO 6 2HB PRO 6 -0.951 -6.992 3.688
26 HB3 PRO 6 1HB PRO 6 -1.656 -5.856 4.849
27 HG2 PRO 6 2HG PRO 6 -2.970 -7.842 3.141
28 HG3 PRO 6 1HG PRO 6 -3.541 -7.070 4.628
29 HD2 PRO 6 2HD PRO 6 -4.562 -6.495 2.162
30 HD3 PRO 6 1HD PRO 6 -4.534 -5.316 3.493
31 H ARG 7 H ARG 7 -1.439 -6.944 1.045
32 HA ARG 7 HA ARG 7 1.273 -7.114 0.545
33 HB2 ARG 7 2HB ARG 7 -0.819 -8.452 -0.409
34 HB3 ARG 7 1HB ARG 7 -0.577 -7.375 -1.784
35 HG2 ARG 7 2HG ARG 7 2.000 -8.172 -1.207
36 HG3 ARG 7 1HG ARG 7 1.075 -9.629 -0.849
37 HD2 ARG 7 2HD ARG 7 0.030 -9.533 -3.072
38 HD3 ARG 7 1HD ARG 7 0.908 -8.048 -3.432
39 HE ARG 7 HE ARG 7 1.972 -10.728 -3.520
40 HH11 ARG 7 1HH2 ARG 7 2.701 -7.411 -2.979
41 HH12 ARG 7 2HH2 ARG 7 4.379 -7.584 -3.357
42 HH21 ARG 7 1HH1 ARG 7 4.130 -10.949 -3.997
43 HH22 ARG 7 2HH1 ARG 7 5.184 -9.579 -3.933
44 H ABA 8 H ABA 8 -1.044 -4.775 -0.738
45 HA ABA 8 HA ABA 8 1.019 -3.581 -2.446
46 HB3 ABA 8 1HB ABA 8 -1.936 -3.180 -2.101
47 HB2 ABA 8 2HB ABA 8 -1.017 -3.470 -3.578
48 HG1 ABA 8 HG ABA 8 -0.057 -0.965 -2.577
49 H ASN 9 H ASN 9 -1.189 -2.503 0.127
50 HA ASN 9 HA ASN 9 -0.233 -0.001 0.660
51 HB2 ASN 9 2HB ASN 9 -2.030 -1.579 1.864
52 HB3 ASN 9 1HB ASN 9 -0.725 -1.725 3.037
53 HD21 ASN 9 1HD2 ASN 9 -3.384 0.171 2.249
54 HD22 ASN 9 2HD2 ASN 9 -2.931 1.580 3.078
55 H TYR 10 H TYR 10 1.258 -3.063 1.612
56 HA TYR 10 HA TYR 10 3.336 -1.772 3.171
57 HB2 TYR 10 2HB TYR 10 2.707 -4.601 2.384
58 HB3 TYR 10 1HB TYR 10 4.304 -4.204 3.015
59 HD1 TYR 10 1HD TYR 10 0.697 -3.483 3.768
60 HD2 TYR 10 2HD TYR 10 4.612 -4.317 5.319
61 HE1 TYR 10 1HE TYR 10 -0.213 -3.459 6.079
62 HE2 TYR 10 2HE TYR 10 3.701 -4.293 7.629
63 HH TYR 10 HH TYR 10 0.261 -3.580 8.235
64 H ASP 11 H ASP 11 3.072 -3.270 -0.036
65 HA ASP 11 HA ASP 11 5.849 -2.995 -0.677
66 HB2 ASP 11 2HB ASP 11 3.469 -4.027 -1.947
67 HB3 ASP 11 1HB ASP 11 4.360 -3.023 -3.078
68 H HIS 12 H HIS 12 3.057 -0.924 -0.907
69 HA HIS 12 HA HIS 12 4.739 1.159 -2.186
70 HB2 HIS 12 2HB HIS 12 1.741 0.826 -2.432
71 HB3 HIS 12 1HB HIS 12 2.742 2.007 -3.277
72 HD2 HIS 12 2HD HIS 12 2.162 -1.898 -3.290
73 HE1 HIS 12 1HE HIS 12 4.214 -0.835 -6.819
74 HE2 HIS 12 2HE HIS 12 3.082 -2.741 -5.582
75 HA PRO 13 HA PRO 13 3.202 2.651 2.010
76 HB2 PRO 13 2HB PRO 13 6.001 3.414 2.454
77 HB3 PRO 13 1HB PRO 13 4.948 2.402 3.456
78 HG2 PRO 13 2HG PRO 13 7.047 1.431 2.051
79 HG3 PRO 13 1HG PRO 13 5.604 0.481 2.437
80 HD2 PRO 13 2HD PRO 13 6.380 1.754 -0.160
81 HD3 PRO 13 1HD PRO 13 5.514 0.233 0.147
82 H GLU 14 H GLU 14 4.523 3.774 -0.801
83 HA GLU 14 HA GLU 14 4.782 6.579 -0.050
84 HB2 GLU 14 2HB GLU 14 5.439 6.835 -2.452
85 HB3 GLU 14 1HB GLU 14 6.437 5.685 -1.562
86 HG2 GLU 14 2HG GLU 14 5.327 3.806 -2.531
87 HG3 GLU 14 1HG GLU 14 4.010 4.802 -3.139
88 H ILE 15 H ILE 15 2.276 4.528 -1.118
89 HA ILE 15 HA ILE 15 0.830 6.786 -2.359
90 HB ILE 15 HB ILE 15 -0.540 5.220 -3.484
91 HG12 ILE 15 2HG1 ILE 15 0.614 3.163 -1.581
92 HG13 ILE 15 1HG1 ILE 15 -1.068 3.675 -1.698
93 HG21 ILE 15 1HG2 ILE 15 1.877 5.410 -4.239
94 HG22 ILE 15 2HG2 ILE 15 1.047 3.939 -4.747
95 HG23 ILE 15 3HG2 ILE 15 2.176 3.892 -3.395
96 HD11 ILE 15 3HD1 ILE 15 -0.862 1.561 -2.845
97 HD12 ILE 15 1HD1 ILE 15 0.519 2.143 -3.774
98 HD13 ILE 15 2HD1 ILE 15 -1.084 2.817 -4.064
99 H CYS 16 H CYS 16 0.316 4.148 -0.006
100 HA CYS 16 HA CYS 16 -2.084 5.515 0.991
101 HB2 CYS 16 2HB CYS 16 -1.260 2.796 0.821
102 HB3 CYS 16 1HB CYS 16 -1.451 3.188 2.529
103 HN1 NH2 17 2H CYS 16 0.881 5.250 3.812
104 HN2 NH2 17 1H CYS 16 0.814 4.071 2.593
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -6.567 1.400 -4.784
2 H2 GLY 1 2HT GLY 1 -8.213 1.083 -5.048
3 H3 GLY 1 3HT GLY 1 -7.094 0.889 -6.313
4 HA2 GLY 1 2HA GLY 1 -7.811 -0.928 -4.201
5 HA3 GLY 1 1HA GLY 1 -7.054 -1.258 -5.759
6 H ABA 2 H ABA 2 -6.010 -2.714 -3.874
7 HA ABA 2 HA ABA 2 -4.072 -3.327 -2.842
8 HB3 ABA 2 1HB ABA 2 -3.277 -1.382 -4.850
9 HB2 ABA 2 2HB ABA 2 -2.501 -2.885 -4.385
10 HG1 ABA 2 HG ABA 2 -1.826 -0.137 -3.446
11 H CYS 3 H CYS 3 -4.583 0.212 -2.586
12 HA CYS 3 HA CYS 3 -3.148 0.600 -0.212
13 HB2 CYS 3 2HB CYS 3 -4.787 2.189 -1.810
14 HB3 CYS 3 1HB CYS 3 -5.566 2.200 -0.228
15 H SER 4 H SER 4 -5.862 -1.278 -0.711
16 HA SER 4 HA SER 4 -6.660 -1.185 2.130
17 HB2 SER 4 2HB SER 4 -8.432 -0.857 0.408
18 HB3 SER 4 1HB SER 4 -8.074 -2.466 -0.213
19 HG SER 4 HG SER 4 -8.429 -3.131 2.091
20 H ASP 5 H ASP 5 -4.773 -2.887 -0.044
21 HA ASP 5 HA ASP 5 -5.091 -5.476 1.324
22 HB2 ASP 5 2HB ASP 5 -5.150 -5.374 -1.180
23 HB3 ASP 5 1HB ASP 5 -3.484 -4.814 -1.152
24 HA PRO 6 HA PRO 6 -1.604 -4.385 3.938
25 HB2 PRO 6 2HB PRO 6 -1.466 -7.373 4.059
26 HB3 PRO 6 1HB PRO 6 -1.432 -6.189 5.380
27 HG2 PRO 6 2HG PRO 6 -3.620 -7.606 4.842
28 HG3 PRO 6 1HG PRO 6 -3.713 -5.920 5.378
29 HD2 PRO 6 2HD PRO 6 -4.206 -7.060 2.671
30 HD3 PRO 6 1HD PRO 6 -4.890 -5.604 3.428
31 H ARG 7 H ARG 7 -1.411 -6.963 1.502
32 HA ARG 7 HA ARG 7 1.422 -7.028 1.339
33 HB2 ARG 7 2HB ARG 7 -0.812 -8.257 -0.036
34 HB3 ARG 7 1HB ARG 7 0.429 -7.763 -1.184
35 HG2 ARG 7 2HG ARG 7 0.826 -10.062 -0.322
36 HG3 ARG 7 1HG ARG 7 2.139 -8.964 0.105
37 HD2 ARG 7 2HD ARG 7 0.092 -8.865 2.142
38 HD3 ARG 7 1HD ARG 7 0.572 -10.541 1.864
39 HE ARG 7 HE ARG 7 2.958 -9.190 2.015
40 HH11 ARG 7 1HH2 ARG 7 0.177 -9.448 4.026
41 HH12 ARG 7 2HH2 ARG 7 1.064 -9.194 5.486
42 HH21 ARG 7 1HH1 ARG 7 4.082 -8.872 3.903
43 HH22 ARG 7 2HH1 ARG 7 3.248 -8.875 5.418
44 H ABA 8 H ABA 8 -1.040 -5.148 -0.416
45 HA ABA 8 HA ABA 8 0.869 -3.929 -2.190
46 HB3 ABA 8 1HB ABA 8 -2.001 -3.399 -1.485
47 HB2 ABA 8 2HB ABA 8 -1.290 -3.786 -3.050
48 HG1 ABA 8 HG ABA 8 -0.274 -1.209 -1.991
49 H ASN 9 H ASN 9 -0.937 -2.651 0.617
50 HA ASN 9 HA ASN 9 0.145 -0.180 0.944
51 HB2 ASN 9 2HB ASN 9 0.027 -1.987 3.346
52 HB3 ASN 9 1HB ASN 9 -0.430 -0.297 3.206
53 HD21 ASN 9 1HD2 ASN 9 -1.923 -0.896 0.632
54 HD22 ASN 9 2HD2 ASN 9 -3.351 -1.653 1.138
55 H TYR 10 H TYR 10 1.713 -3.229 1.866
56 HA TYR 10 HA TYR 10 4.027 -2.055 3.030
57 HB2 TYR 10 2HB TYR 10 3.236 -4.777 2.095
58 HB3 TYR 10 1HB TYR 10 4.955 -4.458 2.332
59 HD1 TYR 10 2HD TYR 10 2.039 -3.032 4.172
60 HD2 TYR 10 1HD TYR 10 5.481 -5.592 4.341
61 HE1 TYR 10 2HE TYR 10 1.747 -3.258 6.627
62 HE2 TYR 10 1HE TYR 10 5.188 -5.818 6.798
63 HH TYR 10 HH TYR 10 2.894 -3.857 8.556
64 H ASP 11 H ASP 11 3.382 -3.310 -0.232
65 HA ASP 11 HA ASP 11 6.027 -2.556 -1.167
66 HB2 ASP 11 2HB ASP 11 4.424 -4.529 -1.938
67 HB3 ASP 11 1HB ASP 11 3.826 -3.297 -3.043
68 H HIS 12 H HIS 12 2.848 -1.160 -1.072
69 HA HIS 12 HA HIS 12 3.815 1.127 -2.700
70 HB2 HIS 12 2HB HIS 12 0.999 0.052 -2.438
71 HB3 HIS 12 1HB HIS 12 1.440 1.518 -3.310
72 HD2 HIS 12 2HD HIS 12 2.106 -2.372 -3.617
73 HE1 HIS 12 1HE HIS 12 2.967 -0.539 -7.322
74 HE2 HIS 12 2HE HIS 12 2.817 -2.767 -6.107
75 HA PRO 13 HA PRO 13 2.636 2.420 1.706
76 HB2 PRO 13 2HB PRO 13 5.087 3.544 2.309
77 HB3 PRO 13 1HB PRO 13 4.622 1.882 2.719
78 HG2 PRO 13 2HG PRO 13 6.303 2.879 0.479
79 HG3 PRO 13 1HG PRO 13 6.477 1.413 1.458
80 HD2 PRO 13 2HD PRO 13 5.459 1.379 -1.074
81 HD3 PRO 13 1HD PRO 13 4.968 0.217 0.178
82 H GLU 14 H GLU 14 4.601 3.966 -0.786
83 HA GLU 14 HA GLU 14 4.346 6.651 -0.192
84 HB2 GLU 14 2HB GLU 14 5.697 5.764 -2.052
85 HB3 GLU 14 1HB GLU 14 4.224 5.356 -2.930
86 HG2 GLU 14 2HG GLU 14 4.912 7.456 -3.820
87 HG3 GLU 14 1HG GLU 14 3.589 7.837 -2.720
88 H ILE 15 H ILE 15 2.010 4.580 -1.882
89 HA ILE 15 HA ILE 15 0.159 6.745 -2.339
90 HB ILE 15 HB ILE 15 -1.047 5.255 -3.596
91 HG12 ILE 15 2HG1 ILE 15 -0.196 3.100 -1.643
92 HG13 ILE 15 1HG1 ILE 15 -1.802 3.805 -1.806
93 HG21 ILE 15 1HG2 ILE 15 1.512 5.151 -4.104
94 HG22 ILE 15 2HG2 ILE 15 0.452 3.956 -4.853
95 HG23 ILE 15 3HG2 ILE 15 1.408 3.520 -3.437
96 HD11 ILE 15 3HD1 ILE 15 -0.725 1.565 -3.193
97 HD12 ILE 15 1HD1 ILE 15 -0.971 2.848 -4.375
98 HD13 ILE 15 2HD1 ILE 15 -2.319 2.292 -3.383
99 H CYS 16 H CYS 16 0.348 4.022 -0.075
100 HA CYS 16 HA CYS 16 -2.166 4.722 1.193
101 HB2 CYS 16 2HB CYS 16 -0.258 2.523 1.328
102 HB3 CYS 16 1HB CYS 16 -0.864 2.993 2.916
103 HN1 NH2 17 2H CYS 16 0.927 6.314 3.293
104 HN2 NH2 17 1H CYS 16 1.243 5.419 1.884
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -7.381 -2.635 -5.361
2 H2 GLY 1 2HT GLY 1 -8.616 -1.613 -5.916
3 H3 GLY 1 3HT GLY 1 -8.881 -2.624 -4.580
4 HA2 GLY 1 2HA GLY 1 -7.398 -0.104 -4.746
5 HA3 GLY 1 1HA GLY 1 -8.498 -0.668 -3.498
6 H ABA 2 H ABA 2 -5.291 -1.322 -4.916
7 HA ABA 2 HA ABA 2 -4.258 -3.086 -3.064
8 HB3 ABA 2 1HB ABA 2 -3.190 -1.263 -5.029
9 HB2 ABA 2 2HB ABA 2 -2.535 -2.790 -4.468
10 HG1 ABA 2 HG ABA 2 -1.678 -0.070 -3.658
11 H CYS 3 H CYS 3 -4.706 0.401 -2.683
12 HA CYS 3 HA CYS 3 -3.214 0.759 -0.326
13 HB2 CYS 3 2HB CYS 3 -4.924 2.345 -1.893
14 HB3 CYS 3 1HB CYS 3 -5.614 2.360 -0.272
15 H SER 4 H SER 4 -5.959 -1.110 -0.856
16 HA SER 4 HA SER 4 -6.761 -1.032 1.984
17 HB2 SER 4 2HB SER 4 -8.544 -0.731 0.296
18 HB3 SER 4 1HB SER 4 -8.144 -2.309 -0.378
19 HG SER 4 HG SER 4 -8.423 -2.973 1.993
20 H ASP 5 H ASP 5 -4.723 -2.705 -0.017
21 HA ASP 5 HA ASP 5 -5.049 -5.226 1.502
22 HB2 ASP 5 2HB ASP 5 -5.233 -5.031 -1.164
23 HB3 ASP 5 1HB ASP 5 -3.487 -5.171 -1.034
24 HA PRO 6 HA PRO 6 -1.264 -3.843 3.536
25 HB2 PRO 6 2HB PRO 6 -1.219 -6.794 4.073
26 HB3 PRO 6 1HB PRO 6 -0.949 -5.442 5.190
27 HG2 PRO 6 2HG PRO 6 -3.257 -6.772 5.162
28 HG3 PRO 6 1HG PRO 6 -3.190 -5.027 5.454
29 HD2 PRO 6 2HD PRO 6 -4.143 -6.488 3.045
30 HD3 PRO 6 1HD PRO 6 -4.602 -4.878 3.647
31 H ARG 7 H ARG 7 -1.452 -6.833 1.607
32 HA ARG 7 HA ARG 7 1.218 -7.233 0.987
33 HB2 ARG 7 2HB ARG 7 -1.229 -7.615 -0.757
34 HB3 ARG 7 1HB ARG 7 0.375 -8.220 -1.170
35 HG2 ARG 7 2HG ARG 7 0.424 -9.572 0.878
36 HG3 ARG 7 1HG ARG 7 -1.147 -8.927 1.359
37 HD2 ARG 7 2HD ARG 7 -0.550 -10.641 -1.067
38 HD3 ARG 7 1HD ARG 7 -1.506 -11.098 0.344
39 HE ARG 7 HE ARG 7 -2.786 -8.859 -0.612
40 HH11 ARG 7 1HH2 ARG 7 -1.799 -11.876 -1.947
41 HH12 ARG 7 2HH2 ARG 7 -3.036 -11.885 -3.159
42 HH21 ARG 7 1HH1 ARG 7 -4.380 -8.889 -2.134
43 HH22 ARG 7 2HH1 ARG 7 -4.501 -10.197 -3.257
44 H ABA 8 H ABA 8 -1.100 -4.987 -0.481
45 HA ABA 8 HA ABA 8 0.821 -4.004 -2.413
46 HB3 ABA 8 1HB ABA 8 -2.001 -3.349 -1.654
47 HB2 ABA 8 2HB ABA 8 -1.319 -3.701 -3.239
48 HG1 ABA 8 HG ABA 8 -0.336 -1.153 -2.010
49 H ASN 9 H ASN 9 -0.824 -2.532 0.394
50 HA ASN 9 HA ASN 9 0.549 -0.160 0.614
51 HB2 ASN 9 2HB ASN 9 0.059 -1.725 3.121
52 HB3 ASN 9 1HB ASN 9 -0.245 -0.026 2.782
53 HD21 ASN 9 1HD2 ASN 9 -1.622 -0.670 0.197
54 HD22 ASN 9 2HD2 ASN 9 -3.128 -1.307 0.641
55 H TYR 10 H TYR 10 1.609 -3.332 1.872
56 HA TYR 10 HA TYR 10 3.950 -2.439 3.160
57 HB2 TYR 10 2HB TYR 10 3.069 -5.067 2.011
58 HB3 TYR 10 1HB TYR 10 4.727 -4.878 2.578
59 HD1 TYR 10 1HD TYR 10 1.439 -3.566 3.850
60 HD2 TYR 10 2HD TYR 10 4.957 -5.891 4.668
61 HE1 TYR 10 1HE TYR 10 0.664 -3.922 6.183
62 HE2 TYR 10 2HE TYR 10 4.179 -6.239 6.998
63 HH TYR 10 HH TYR 10 1.305 -6.036 8.021
64 H ASP 11 H ASP 11 3.242 -2.958 -0.187
65 HA ASP 11 HA ASP 11 6.080 -2.596 -0.920
66 HB2 ASP 11 2HB ASP 11 3.833 -4.076 -2.060
67 HB3 ASP 11 1HB ASP 11 4.623 -3.050 -3.252
68 H HIS 12 H HIS 12 2.949 -1.119 -0.969
69 HA HIS 12 HA HIS 12 4.068 1.198 -2.448
70 HB2 HIS 12 2HB HIS 12 1.204 0.212 -2.461
71 HB3 HIS 12 1HB HIS 12 1.822 1.614 -3.331
72 HD2 HIS 12 2HD HIS 12 2.248 -2.314 -3.445
73 HE1 HIS 12 1HE HIS 12 3.646 -0.684 -7.080
74 HE2 HIS 12 2HE HIS 12 3.206 -2.848 -5.818
75 HA PRO 13 HA PRO 13 2.497 2.462 1.812
76 HB2 PRO 13 2HB PRO 13 4.864 3.452 2.760
77 HB3 PRO 13 1HB PRO 13 4.375 1.757 2.959
78 HG2 PRO 13 2HG PRO 13 6.246 2.964 0.977
79 HG3 PRO 13 1HG PRO 13 6.383 1.444 1.881
80 HD2 PRO 13 2HD PRO 13 5.584 1.542 -0.732
81 HD3 PRO 13 1HD PRO 13 5.033 0.284 0.399
82 H GLU 14 H GLU 14 4.804 3.975 -0.399
83 HA GLU 14 HA GLU 14 4.473 6.657 0.264
84 HB2 GLU 14 2HB GLU 14 5.013 7.026 -2.240
85 HB3 GLU 14 1HB GLU 14 6.207 6.216 -1.231
86 HG2 GLU 14 2HG GLU 14 4.531 4.154 -2.175
87 HG3 GLU 14 1HG GLU 14 4.790 5.207 -3.559
88 H ILE 15 H ILE 15 2.272 4.536 -1.379
89 HA ILE 15 HA ILE 15 0.669 6.758 -2.407
90 HB ILE 15 HB ILE 15 -0.381 5.252 -3.762
91 HG12 ILE 15 2HG1 ILE 15 0.002 3.148 -1.609
92 HG13 ILE 15 1HG1 ILE 15 -1.498 3.995 -1.978
93 HG21 ILE 15 1HG2 ILE 15 1.176 3.580 -4.547
94 HG22 ILE 15 2HG2 ILE 15 2.007 3.554 -2.994
95 HG23 ILE 15 3HG2 ILE 15 2.114 4.980 -4.025
96 HD11 ILE 15 3HD1 ILE 15 -1.398 1.722 -3.002
97 HD12 ILE 15 1HD1 ILE 15 0.006 2.235 -3.934
98 HD13 ILE 15 2HD1 ILE 15 -1.558 3.003 -4.203
99 H CYS 16 H CYS 16 0.413 4.155 -0.016
100 HA CYS 16 HA CYS 16 -2.209 4.996 0.879
101 HB2 CYS 16 2HB CYS 16 -0.441 2.755 1.340
102 HB3 CYS 16 1HB CYS 16 -1.058 3.385 2.865
103 HN1 NH2 17 2H CYS 16 0.674 6.625 3.260
104 HN2 NH2 17 1H CYS 16 1.126 5.575 2.004
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