Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
624363 | 6bx9 RC | 30385 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 1HT CYS 1 2.115 -5.367 -3.822
2 H2 CYS 1 2HT CYS 1 1.538 -4.320 -5.030
3 H3 CYS 1 3HT CYS 1 0.583 -4.655 -3.665
4 HA CYS 1 HA CYS 1 2.287 -2.536 -3.993
5 HB2 CYS 1 2HB CYS 1 1.025 -1.859 -2.248
6 HB3 CYS 1 1HB CYS 1 0.298 -3.466 -2.236
7 H CYS 2 H CYS 2 3.582 -2.224 -1.488
8 HA CYS 2 HA CYS 2 6.071 -3.511 -2.058
9 HB2 CYS 2 2HB CYS 2 5.638 -2.203 0.569
10 HB3 CYS 2 1HB CYS 2 6.983 -2.050 -0.559
11 H THR 3 H THR 3 4.050 -3.584 0.886
12 HA THR 3 HA THR 3 5.111 -6.301 1.416
13 HB THR 3 HB THR 3 5.127 -5.819 3.731
14 HG1 THR 3 1HG THR 3 3.806 -4.420 4.572
15 HG21 THR 3 1HG2 THR 3 5.955 -3.162 2.585
16 HG22 THR 3 2HG2 THR 3 6.842 -4.630 2.171
17 HG23 THR 3 3HG2 THR 3 6.732 -4.110 3.853
18 H ALA 4 H ALA 4 2.570 -4.430 2.974
19 HA ALA 4 HA ALA 4 0.472 -6.238 2.043
20 HB1 ALA 4 1HB ALA 4 0.371 -5.873 4.945
21 HB2 ALA 4 2HB ALA 4 1.763 -6.816 4.415
22 HB3 ALA 4 3HB ALA 4 0.134 -7.334 3.986
23 H LEU 5 H LEU 5 1.417 -3.582 4.166
24 HA LEU 5 HA LEU 5 -0.948 -2.329 4.707
25 HB2 LEU 5 2HB LEU 5 1.279 -0.593 3.743
26 HB3 LEU 5 1HB LEU 5 0.283 -0.444 5.192
27 HG LEU 5 HG LEU 5 2.577 -2.357 4.713
28 HD11 LEU 5 1HD1 LEU 5 3.363 -0.269 5.530
29 HD12 LEU 5 2HD1 LEU 5 3.249 -1.296 6.961
30 HD13 LEU 5 3HD1 LEU 5 1.997 -0.097 6.632
31 HD21 LEU 5 1HD2 LEU 5 1.819 -2.876 7.255
32 HD22 LEU 5 2HD2 LEU 5 1.236 -3.815 5.880
33 HD23 LEU 5 3HD2 LEU 5 0.240 -2.523 6.550
34 H CYS 6 H CYS 6 -2.518 -2.495 3.102
35 HA CYS 6 HA CYS 6 -2.027 -1.643 0.404
36 HB2 CYS 6 2HB CYS 6 -4.665 -2.095 1.824
37 HB3 CYS 6 1HB CYS 6 -4.428 -1.974 0.081
38 H SER 7 H SER 7 -1.474 0.264 2.602
39 HA SER 7 HA SER 7 -3.478 2.354 2.217
40 HB2 SER 7 2HB SER 7 -1.210 1.891 4.084
41 HB3 SER 7 1HB SER 7 -1.627 3.567 3.722
42 HG SER 7 HG SER 7 -3.690 3.189 4.448
43 H ARG 8 H ARG 8 -2.714 4.581 1.725
44 HA ARG 8 HA ARG 8 -1.216 4.581 -0.722
45 HB2 ARG 8 2HB ARG 8 -1.757 7.138 0.708
46 HB3 ARG 8 1HB ARG 8 -1.970 6.731 -0.998
47 HG2 ARG 8 2HG ARG 8 -3.744 5.817 1.291
48 HG3 ARG 8 1HG ARG 8 -4.156 7.026 0.072
49 HD2 ARG 8 2HD ARG 8 -4.181 5.406 -1.673
50 HD3 ARG 8 1HD ARG 8 -3.381 4.201 -0.672
51 HE ARG 8 HE ARG 8 -6.012 5.140 0.209
52 HH11 ARG 8 1HH1 ARG 8 -7.537 3.472 0.449
53 HH12 ARG 8 2HH1 ARG 8 -7.171 1.882 -0.135
54 HH21 ARG 8 1HH2 ARG 8 -4.024 2.749 -1.306
55 HH22 ARG 8 2HH2 ARG 8 -5.182 1.473 -1.130
56 H TYR 9 H TYR 9 0.160 3.693 1.731
57 HA TYR 9 HA TYR 9 2.337 5.693 1.806
58 HB2 TYR 9 2HB TYR 9 1.559 5.579 4.010
59 HB3 TYR 9 1HB TYR 9 1.230 3.846 3.903
60 HD1 TYR 9 1HD TYR 9 4.258 5.869 3.009
61 HD2 TYR 9 2HD TYR 9 2.599 2.747 5.447
62 HE1 TYR 9 1HE TYR 9 6.512 5.386 3.924
63 HE2 TYR 9 2HE TYR 9 4.852 2.263 6.362
64 HH TYR 9 HH TYR 9 7.562 4.357 5.768
65 H HIS 10 H HIS 10 1.417 2.454 1.087
66 HA HIS 10 HA HIS 10 4.257 1.753 0.616
67 HB2 HIS 10 2HB HIS 10 2.027 0.222 1.836
68 HB3 HIS 10 1HB HIS 10 3.087 -0.670 0.741
69 HD2 HIS 10 2HD HIS 10 4.956 2.092 2.676
70 HE1 HIS 10 1HE HIS 10 5.714 -1.528 4.711
71 HE2 HIS 10 2HE HIS 10 6.379 0.916 4.522
72 H CYS 11 H CYS 11 4.545 2.083 -1.518
73 HA CYS 11 HA CYS 11 4.383 1.759 -3.779
74 HB2 CYS 11 2HB CYS 11 2.613 -0.524 -2.905
75 HB3 CYS 11 1HB CYS 11 3.171 -0.277 -4.559
76 H LEU 12 H LEU 12 1.147 1.170 -2.414
77 HA LEU 12 HA LEU 12 -0.420 3.124 -2.677
78 HB2 LEU 12 2HB LEU 12 0.649 4.141 -4.574
79 HB3 LEU 12 1HB LEU 12 0.343 2.730 -5.577
80 HG LEU 12 HG LEU 12 -1.243 4.668 -5.882
81 HD11 LEU 12 1HD1 LEU 12 -2.762 3.177 -6.622
82 HD12 LEU 12 2HD1 LEU 12 -3.051 2.547 -5.003
83 HD13 LEU 12 3HD1 LEU 12 -1.695 1.942 -5.957
84 HD21 LEU 12 1HD2 LEU 12 -2.785 5.260 -4.227
85 HD22 LEU 12 2HD2 LEU 12 -1.305 5.019 -3.304
86 HD23 LEU 12 3HD2 LEU 12 -2.543 3.767 -3.328
87 HA PRO 13 HA PRO 13 -2.946 -0.352 -4.797
88 HB2 PRO 13 2HB PRO 13 -1.182 -2.672 -5.006
89 HB3 PRO 13 1HB PRO 13 -2.115 -1.864 -6.281
90 HG2 PRO 13 2HG PRO 13 0.588 -1.795 -6.153
91 HG3 PRO 13 1HG PRO 13 -0.389 -0.490 -6.854
92 HD2 PRO 13 2HD PRO 13 0.879 -0.639 -4.134
93 HD3 PRO 13 1HD PRO 13 0.792 0.735 -5.252
94 H CYS 14 H CYS 14 -3.031 -3.096 -4.077
95 HA CYS 14 HA CYS 14 -2.843 -2.916 -1.135
96 HB2 CYS 14 2HB CYS 14 -5.176 -2.950 -1.926
97 HB3 CYS 14 1HB CYS 14 -4.858 -4.462 -2.780
98 H CYS 15 H CYS 15 -1.847 -4.566 -0.049
99 HA CYS 15 HA CYS 15 -0.960 -6.868 -1.679
100 HB2 CYS 15 2HB CYS 15 1.085 -6.692 0.004
101 HB3 CYS 15 1HB CYS 15 1.050 -5.766 -1.499
Start of MODEL 2
1 H1 CYS 1 1HT CYS 1 2.010 -3.351 -5.296
2 H2 CYS 1 2HT CYS 1 0.584 -3.939 -4.586
3 H3 CYS 1 3HT CYS 1 2.004 -4.869 -4.542
4 HA CYS 1 HA CYS 1 1.943 -2.193 -3.312
5 HB2 CYS 1 2HB CYS 1 1.563 -4.217 -1.331
6 HB3 CYS 1 1HB CYS 1 0.470 -2.889 -1.745
7 H CYS 2 H CYS 2 3.495 -2.404 -1.320
8 HA CYS 2 HA CYS 2 5.876 -3.801 -2.305
9 HB2 CYS 2 2HB CYS 2 5.563 -1.614 -0.242
10 HB3 CYS 2 1HB CYS 2 7.088 -2.301 -0.777
11 H THR 3 H THR 3 3.639 -3.729 0.371
12 HA THR 3 HA THR 3 5.009 -6.074 1.502
13 HB THR 3 HB THR 3 4.883 -5.235 3.742
14 HG1 THR 3 1HG THR 3 4.073 -3.025 4.002
15 HG21 THR 3 1HG2 THR 3 5.874 -2.958 2.010
16 HG22 THR 3 2HG2 THR 3 6.780 -4.446 2.289
17 HG23 THR 3 3HG2 THR 3 6.414 -3.369 3.638
18 H ALA 4 H ALA 4 2.541 -4.446 3.241
19 HA ALA 4 HA ALA 4 0.427 -6.174 2.186
20 HB1 ALA 4 1HB ALA 4 0.585 -7.543 3.966
21 HB2 ALA 4 2HB ALA 4 -0.014 -6.193 4.930
22 HB3 ALA 4 3HB ALA 4 1.721 -6.470 4.778
23 H LEU 5 H LEU 5 1.243 -3.712 4.605
24 HA LEU 5 HA LEU 5 -1.078 -2.523 5.211
25 HB2 LEU 5 2HB LEU 5 0.443 -0.304 4.488
26 HB3 LEU 5 1HB LEU 5 0.452 -1.105 6.059
27 HG LEU 5 HG LEU 5 2.143 -2.146 3.800
28 HD11 LEU 5 1HD1 LEU 5 2.646 0.284 4.120
29 HD12 LEU 5 2HD1 LEU 5 3.996 -0.758 4.572
30 HD13 LEU 5 3HD1 LEU 5 2.977 -0.044 5.821
31 HD21 LEU 5 1HD2 LEU 5 1.597 -3.184 6.230
32 HD22 LEU 5 2HD2 LEU 5 2.956 -2.150 6.667
33 HD23 LEU 5 3HD2 LEU 5 3.159 -3.403 5.442
34 H CYS 6 H CYS 6 -2.718 -2.759 3.664
35 HA CYS 6 HA CYS 6 -2.435 -1.916 0.973
36 HB2 CYS 6 2HB CYS 6 -4.664 -2.786 2.708
37 HB3 CYS 6 1HB CYS 6 -5.102 -1.781 1.324
38 H SER 7 H SER 7 -1.473 0.027 2.795
39 HA SER 7 HA SER 7 -3.387 2.229 2.684
40 HB2 SER 7 2HB SER 7 -1.179 1.523 4.374
41 HB3 SER 7 1HB SER 7 -0.900 3.119 3.678
42 HG SER 7 HG SER 7 -2.733 3.847 4.588
43 H ARG 8 H ARG 8 -2.712 4.329 1.861
44 HA ARG 8 HA ARG 8 -1.601 4.130 -0.768
45 HB2 ARG 8 2HB ARG 8 -2.122 6.612 0.894
46 HB3 ARG 8 1HB ARG 8 -1.907 6.545 -0.859
47 HG2 ARG 8 2HG ARG 8 -3.960 4.681 0.020
48 HG3 ARG 8 1HG ARG 8 -4.333 6.331 0.531
49 HD2 ARG 8 2HD ARG 8 -3.804 7.054 -1.853
50 HD3 ARG 8 1HD ARG 8 -3.784 5.345 -2.276
51 HE ARG 8 HE ARG 8 -6.124 5.240 -1.786
52 HH11 ARG 8 1HH1 ARG 8 -8.110 6.330 -1.906
53 HH12 ARG 8 2HH1 ARG 8 -8.151 8.059 -1.816
54 HH21 ARG 8 1HH2 ARG 8 -4.718 8.395 -1.487
55 HH22 ARG 8 2HH2 ARG 8 -6.233 9.224 -1.580
56 H TYR 9 H TYR 9 -0.045 3.527 1.822
57 HA TYR 9 HA TYR 9 2.204 5.383 1.617
58 HB2 TYR 9 2HB TYR 9 2.016 2.934 3.365
59 HB3 TYR 9 1HB TYR 9 3.012 4.377 3.606
60 HD1 TYR 9 1HD TYR 9 1.234 3.307 5.739
61 HD2 TYR 9 2HD TYR 9 0.416 6.112 2.585
62 HE1 TYR 9 1HE TYR 9 -0.572 4.320 7.102
63 HE2 TYR 9 2HE TYR 9 -1.387 7.120 3.950
64 HH TYR 9 HH TYR 9 -2.097 5.925 7.236
65 H HIS 10 H HIS 10 1.545 1.916 1.280
66 HA HIS 10 HA HIS 10 4.251 1.418 0.360
67 HB2 HIS 10 2HB HIS 10 3.590 -0.904 0.288
68 HB3 HIS 10 1HB HIS 10 3.028 -0.180 1.798
69 HD2 HIS 10 2HD HIS 10 1.243 -2.648 0.894
70 HE1 HIS 10 1HE HIS 10 -1.440 0.146 -0.768
71 HE2 HIS 10 2HE HIS 10 -1.160 -2.275 -0.049
72 H CYS 11 H CYS 11 4.576 2.394 -1.566
73 HA CYS 11 HA CYS 11 4.581 2.722 -3.812
74 HB2 CYS 11 2HB CYS 11 3.424 0.443 -4.924
75 HB3 CYS 11 1HB CYS 11 5.132 0.720 -4.611
76 H LEU 12 H LEU 12 1.476 1.739 -2.497
77 HA LEU 12 HA LEU 12 -0.349 3.365 -2.940
78 HB2 LEU 12 2HB LEU 12 0.685 4.385 -4.896
79 HB3 LEU 12 1HB LEU 12 0.464 2.900 -5.818
80 HG LEU 12 HG LEU 12 -1.262 4.732 -6.172
81 HD11 LEU 12 1HD1 LEU 12 -2.597 3.086 -6.926
82 HD12 LEU 12 2HD1 LEU 12 -2.921 2.504 -5.297
83 HD13 LEU 12 3HD1 LEU 12 -1.486 1.953 -6.164
84 HD21 LEU 12 1HD2 LEU 12 -2.426 3.755 -3.571
85 HD22 LEU 12 2HD2 LEU 12 -2.906 5.148 -4.532
86 HD23 LEU 12 3HD2 LEU 12 -1.386 5.175 -3.642
87 HA PRO 13 HA PRO 13 -2.066 -0.577 -5.391
88 HB2 PRO 13 2HB PRO 13 -0.107 -2.463 -4.163
89 HB3 PRO 13 1HB PRO 13 -0.852 -2.493 -5.775
90 HG2 PRO 13 2HG PRO 13 1.674 -1.739 -5.448
91 HG3 PRO 13 1HG PRO 13 0.621 -0.944 -6.632
92 HD2 PRO 13 2HD PRO 13 1.536 0.044 -3.956
93 HD3 PRO 13 1HD PRO 13 1.237 0.953 -5.454
94 H CYS 14 H CYS 14 -1.937 -3.108 -3.770
95 HA CYS 14 HA CYS 14 -2.721 -2.407 -1.091
96 HB2 CYS 14 2HB CYS 14 -4.742 -1.696 -2.172
97 HB3 CYS 14 1HB CYS 14 -4.814 -3.180 -3.124
98 H CYS 15 H CYS 15 -1.796 -4.042 0.015
99 HA CYS 15 HA CYS 15 -2.204 -6.782 -1.016
100 HB2 CYS 15 2HB CYS 15 0.243 -5.497 0.137
101 HB3 CYS 15 1HB CYS 15 -0.015 -7.236 0.342
Start of MODEL 3
1 H1 CYS 1 1HT CYS 1 1.783 -5.484 -4.300
2 H2 CYS 1 2HT CYS 1 0.615 -5.375 -3.072
3 H3 CYS 1 3HT CYS 1 2.265 -5.433 -2.675
4 HA CYS 1 HA CYS 1 1.411 -3.279 -4.432
5 HB2 CYS 1 2HB CYS 1 0.171 -2.112 -2.902
6 HB3 CYS 1 1HB CYS 1 -0.165 -3.723 -2.271
7 H CYS 2 H CYS 2 2.935 -4.123 -1.336
8 HA CYS 2 HA CYS 2 5.531 -3.211 -2.229
9 HB2 CYS 2 2HB CYS 2 3.796 -1.351 -0.970
10 HB3 CYS 2 1HB CYS 2 5.001 -1.801 0.226
11 H THR 3 H THR 3 3.472 -3.999 0.523
12 HA THR 3 HA THR 3 5.349 -6.066 1.415
13 HB THR 3 HB THR 3 5.453 -5.257 3.667
14 HG1 THR 3 1HG THR 3 3.831 -4.144 4.361
15 HG21 THR 3 1HG2 THR 3 6.760 -3.311 3.405
16 HG22 THR 3 2HG2 THR 3 5.792 -2.738 2.047
17 HG23 THR 3 3HG2 THR 3 6.879 -4.111 1.838
18 H ALA 4 H ALA 4 2.677 -4.368 2.908
19 HA ALA 4 HA ALA 4 0.789 -6.518 2.454
20 HB1 ALA 4 1HB ALA 4 1.712 -7.426 4.430
21 HB2 ALA 4 2HB ALA 4 0.296 -6.528 4.980
22 HB3 ALA 4 3HB ALA 4 1.908 -5.834 5.165
23 H LEU 5 H LEU 5 1.369 -3.760 4.595
24 HA LEU 5 HA LEU 5 -1.072 -2.688 4.951
25 HB2 LEU 5 2HB LEU 5 1.061 -0.791 4.037
26 HB3 LEU 5 1HB LEU 5 -0.064 -0.646 5.388
27 HG LEU 5 HG LEU 5 2.369 -2.442 5.217
28 HD11 LEU 5 1HD1 LEU 5 3.270 -1.086 6.912
29 HD12 LEU 5 2HD1 LEU 5 1.692 -0.442 7.364
30 HD13 LEU 5 3HD1 LEU 5 2.462 0.081 5.866
31 HD21 LEU 5 1HD2 LEU 5 0.768 -3.788 6.328
32 HD22 LEU 5 2HD2 LEU 5 0.029 -2.401 7.125
33 HD23 LEU 5 3HD2 LEU 5 1.612 -2.975 7.645
34 H CYS 6 H CYS 6 -2.701 -2.571 3.540
35 HA CYS 6 HA CYS 6 -2.221 -1.928 0.747
36 HB2 CYS 6 2HB CYS 6 -4.614 -2.753 2.365
37 HB3 CYS 6 1HB CYS 6 -4.839 -2.041 0.768
38 H SER 7 H SER 7 -1.419 0.108 2.451
39 HA SER 7 HA SER 7 -3.532 2.118 2.477
40 HB2 SER 7 2HB SER 7 -1.016 3.209 3.238
41 HB3 SER 7 1HB SER 7 -2.423 2.871 4.249
42 HG SER 7 HG SER 7 -0.743 1.647 5.020
43 H ARG 8 H ARG 8 -2.092 4.418 2.107
44 HA ARG 8 HA ARG 8 -1.672 4.355 -0.800
45 HB2 ARG 8 2HB ARG 8 -2.257 6.608 1.132
46 HB3 ARG 8 1HB ARG 8 -1.896 6.855 -0.580
47 HG2 ARG 8 2HG ARG 8 -4.077 4.968 0.318
48 HG3 ARG 8 1HG ARG 8 -4.384 6.692 0.085
49 HD2 ARG 8 2HD ARG 8 -2.915 5.733 -2.174
50 HD3 ARG 8 1HD ARG 8 -4.271 4.643 -1.899
51 HE ARG 8 HE ARG 8 -5.083 7.386 -1.759
52 HH11 ARG 8 1HH1 ARG 8 -6.325 8.172 -3.492
53 HH12 ARG 8 2HH1 ARG 8 -6.358 7.304 -4.990
54 HH21 ARG 8 1HH2 ARG 8 -4.221 4.803 -3.895
55 HH22 ARG 8 2HH2 ARG 8 -5.169 5.397 -5.218
56 H TYR 9 H TYR 9 0.202 4.088 1.882
57 HA TYR 9 HA TYR 9 2.354 5.780 0.794
58 HB2 TYR 9 2HB TYR 9 3.366 4.829 3.136
59 HB3 TYR 9 1HB TYR 9 2.497 6.356 2.970
60 HD1 TYR 9 1HD TYR 9 0.017 6.424 3.437
61 HD2 TYR 9 2HD TYR 9 2.446 3.004 4.369
62 HE1 TYR 9 1HE TYR 9 -1.726 5.609 4.999
63 HE2 TYR 9 2HE TYR 9 0.699 2.190 5.927
64 HH TYR 9 HH TYR 9 -1.221 2.679 6.950
65 H HIS 10 H HIS 10 1.376 2.490 1.262
66 HA HIS 10 HA HIS 10 4.082 1.492 0.782
67 HB2 HIS 10 2HB HIS 10 1.635 0.408 1.898
68 HB3 HIS 10 1HB HIS 10 2.295 -0.660 0.657
69 HD2 HIS 10 2HD HIS 10 5.538 -0.017 1.382
70 HE1 HIS 10 1HE HIS 10 4.499 -1.601 5.154
71 HE2 HIS 10 2HE HIS 10 6.435 -1.028 3.614
72 H CYS 11 H CYS 11 4.539 2.148 -1.296
73 HA CYS 11 HA CYS 11 4.670 1.939 -3.568
74 HB2 CYS 11 2HB CYS 11 3.144 -0.528 -2.841
75 HB3 CYS 11 1HB CYS 11 3.291 -0.077 -4.532
76 H LEU 12 H LEU 12 1.401 1.547 -2.288
77 HA LEU 12 HA LEU 12 -0.134 3.425 -2.767
78 HB2 LEU 12 2HB LEU 12 1.090 4.295 -4.683
79 HB3 LEU 12 1HB LEU 12 0.678 2.870 -5.631
80 HG LEU 12 HG LEU 12 -0.755 4.934 -6.003
81 HD11 LEU 12 1HD1 LEU 12 -2.727 2.965 -5.146
82 HD12 LEU 12 2HD1 LEU 12 -1.385 2.227 -6.023
83 HD13 LEU 12 3HD1 LEU 12 -2.327 3.515 -6.771
84 HD21 LEU 12 1HD2 LEU 12 -2.344 5.588 -4.388
85 HD22 LEU 12 2HD2 LEU 12 -0.859 5.369 -3.463
86 HD23 LEU 12 3HD2 LEU 12 -2.107 4.125 -3.436
87 HA PRO 13 HA PRO 13 -2.613 -0.101 -4.875
88 HB2 PRO 13 2HB PRO 13 -0.924 -2.475 -4.872
89 HB3 PRO 13 1HB PRO 13 -1.726 -1.681 -6.240
90 HG2 PRO 13 2HG PRO 13 0.965 -1.710 -5.883
91 HG3 PRO 13 1HG PRO 13 0.097 -0.432 -6.751
92 HD2 PRO 13 2HD PRO 13 1.175 -0.407 -3.944
93 HD3 PRO 13 1HD PRO 13 1.153 0.886 -5.163
94 H CYS 14 H CYS 14 -3.070 -2.657 -4.099
95 HA CYS 14 HA CYS 14 -3.057 -2.492 -1.150
96 HB2 CYS 14 2HB CYS 14 -5.303 -2.458 -2.054
97 HB3 CYS 14 1HB CYS 14 -4.965 -3.885 -3.040
98 H CYS 15 H CYS 15 -1.658 -3.843 -0.178
99 HA CYS 15 HA CYS 15 -0.886 -6.296 -1.623
100 HB2 CYS 15 2HB CYS 15 0.924 -6.119 0.378
101 HB3 CYS 15 1HB CYS 15 1.139 -5.361 -1.195
Start of MODEL 4
1 H1 CYS 1 1HT CYS 1 2.297 -4.934 -4.549
2 H2 CYS 1 2HT CYS 1 0.880 -4.023 -4.767
3 H3 CYS 1 3HT CYS 1 1.041 -5.039 -3.415
4 HA CYS 1 HA CYS 1 2.144 -2.385 -3.898
5 HB2 CYS 1 2HB CYS 1 1.315 -1.985 -1.788
6 HB3 CYS 1 1HB CYS 1 0.306 -3.379 -2.182
7 H CYS 2 H CYS 2 3.501 -2.468 -1.302
8 HA CYS 2 HA CYS 2 6.036 -3.621 -2.210
9 HB2 CYS 2 2HB CYS 2 6.142 -2.242 0.335
10 HB3 CYS 2 1HB CYS 2 6.964 -1.857 -1.178
11 H THR 3 H THR 3 3.720 -3.812 0.444
12 HA THR 3 HA THR 3 4.948 -6.360 1.270
13 HB THR 3 HB THR 3 4.817 -5.748 3.603
14 HG1 THR 3 1HG THR 3 3.870 -3.935 4.260
15 HG21 THR 3 1HG2 THR 3 6.616 -4.204 3.689
16 HG22 THR 3 2HG2 THR 3 6.094 -3.394 2.211
17 HG23 THR 3 3HG2 THR 3 6.793 -5.010 2.132
18 H ALA 4 H ALA 4 2.599 -4.683 3.145
19 HA ALA 4 HA ALA 4 0.409 -6.386 2.150
20 HB1 ALA 4 1HB ALA 4 1.404 -7.319 4.254
21 HB2 ALA 4 2HB ALA 4 -0.289 -6.850 4.413
22 HB3 ALA 4 3HB ALA 4 0.979 -5.810 5.062
23 H LEU 5 H LEU 5 1.262 -3.756 4.341
24 HA LEU 5 HA LEU 5 -1.042 -2.414 4.719
25 HB2 LEU 5 2HB LEU 5 0.910 -0.446 3.985
26 HB3 LEU 5 1HB LEU 5 0.367 -0.917 5.597
27 HG LEU 5 HG LEU 5 2.432 -2.447 3.996
28 HD11 LEU 5 1HD1 LEU 5 4.114 -1.407 5.389
29 HD12 LEU 5 2HD1 LEU 5 2.882 -0.577 6.338
30 HD13 LEU 5 3HD1 LEU 5 3.153 -0.122 4.656
31 HD21 LEU 5 1HD2 LEU 5 2.375 -3.959 5.682
32 HD22 LEU 5 2HD2 LEU 5 0.874 -3.186 6.190
33 HD23 LEU 5 3HD2 LEU 5 2.405 -2.693 6.911
34 H CYS 6 H CYS 6 -2.634 -2.059 3.308
35 HA CYS 6 HA CYS 6 -2.017 -1.298 0.556
36 HB2 CYS 6 2HB CYS 6 -4.649 -1.865 1.941
37 HB3 CYS 6 1HB CYS 6 -4.482 -1.471 0.231
38 H SER 7 H SER 7 -1.377 0.485 2.728
39 HA SER 7 HA SER 7 -3.351 2.631 2.543
40 HB2 SER 7 2HB SER 7 -2.617 2.746 4.687
41 HB3 SER 7 1HB SER 7 -1.085 1.956 4.309
42 HG SER 7 HG SER 7 -0.916 4.217 4.876
43 H ARG 8 H ARG 8 -2.691 4.815 1.987
44 HA ARG 8 HA ARG 8 -1.214 4.904 -0.459
45 HB2 ARG 8 2HB ARG 8 -3.138 6.480 0.605
46 HB3 ARG 8 1HB ARG 8 -1.711 7.420 1.051
47 HG2 ARG 8 2HG ARG 8 -1.113 7.819 -1.168
48 HG3 ARG 8 1HG ARG 8 -1.976 6.400 -1.769
49 HD2 ARG 8 2HD ARG 8 -3.252 8.336 -2.409
50 HD3 ARG 8 1HD ARG 8 -4.128 7.524 -1.118
51 HE ARG 8 HE ARG 8 -3.410 9.264 0.389
52 HH11 ARG 8 1HH1 ARG 8 -3.101 11.501 0.599
53 HH12 ARG 8 2HH1 ARG 8 -2.650 12.443 -0.783
54 HH21 ARG 8 1HH2 ARG 8 -2.604 9.745 -2.954
55 HH22 ARG 8 2HH2 ARG 8 -2.372 11.452 -2.786
56 H TYR 9 H TYR 9 0.360 3.785 1.524
57 HA TYR 9 HA TYR 9 2.499 5.797 1.773
58 HB2 TYR 9 2HB TYR 9 1.968 5.766 3.990
59 HB3 TYR 9 1HB TYR 9 1.178 4.192 3.886
60 HD1 TYR 9 1HD TYR 9 4.627 5.624 3.414
61 HD2 TYR 9 2HD TYR 9 2.212 2.450 5.008
62 HE1 TYR 9 1HE TYR 9 6.656 4.546 4.346
63 HE2 TYR 9 2HE TYR 9 4.241 1.372 5.939
64 HH TYR 9 HH TYR 9 7.378 2.969 5.838
65 H HIS 10 H HIS 10 1.529 2.451 1.363
66 HA HIS 10 HA HIS 10 4.327 1.796 0.669
67 HB2 HIS 10 2HB HIS 10 2.246 0.270 2.125
68 HB3 HIS 10 1HB HIS 10 3.187 -0.645 0.943
69 HD2 HIS 10 2HD HIS 10 4.993 2.243 2.871
70 HE1 HIS 10 1HE HIS 10 6.451 -1.424 4.370
71 HE2 HIS 10 2HE HIS 10 6.766 1.096 4.407
72 H CYS 11 H CYS 11 4.100 2.557 -1.453
73 HA CYS 11 HA CYS 11 3.786 2.270 -3.696
74 HB2 CYS 11 2HB CYS 11 2.659 -0.438 -2.959
75 HB3 CYS 11 1HB CYS 11 3.283 0.061 -4.535
76 H LEU 12 H LEU 12 0.970 0.563 -2.312
77 HA LEU 12 HA LEU 12 -1.158 1.778 -2.094
78 HB2 LEU 12 2HB LEU 12 -0.469 3.723 -3.407
79 HB3 LEU 12 1HB LEU 12 -0.512 2.757 -4.882
80 HG LEU 12 HG LEU 12 -2.925 2.282 -4.449
81 HD11 LEU 12 1HD1 LEU 12 -3.570 2.611 -2.299
82 HD12 LEU 12 2HD1 LEU 12 -3.708 4.309 -2.752
83 HD13 LEU 12 3HD1 LEU 12 -2.237 3.719 -1.981
84 HD21 LEU 12 1HD2 LEU 12 -2.390 5.260 -4.463
85 HD22 LEU 12 2HD2 LEU 12 -3.693 4.389 -5.271
86 HD23 LEU 12 3HD2 LEU 12 -2.035 4.234 -5.852
87 HA PRO 13 HA PRO 13 -2.302 -0.972 -6.117
88 HB2 PRO 13 2HB PRO 13 -0.059 -2.860 -5.554
89 HB3 PRO 13 1HB PRO 13 -0.792 -2.407 -7.106
90 HG2 PRO 13 2HG PRO 13 1.584 -1.460 -6.274
91 HG3 PRO 13 1HG PRO 13 0.484 -0.540 -7.315
92 HD2 PRO 13 2HD PRO 13 1.174 -0.099 -4.490
93 HD3 PRO 13 1HD PRO 13 0.488 1.035 -5.666
94 H CYS 14 H CYS 14 -1.391 -1.344 -2.903
95 HA CYS 14 HA CYS 14 -2.260 -2.518 -1.141
96 HB2 CYS 14 2HB CYS 14 -4.449 -1.932 -2.002
97 HB3 CYS 14 1HB CYS 14 -4.377 -3.261 -3.161
98 H CYS 15 H CYS 15 -1.968 -4.513 -0.194
99 HA CYS 15 HA CYS 15 -1.294 -6.726 -2.033
100 HB2 CYS 15 2HB CYS 15 0.343 -7.140 0.135
101 HB3 CYS 15 1HB CYS 15 0.842 -6.392 -1.387
Start of MODEL 5
1 H1 CYS 1 1HT CYS 1 2.678 -4.966 -4.808
2 H2 CYS 1 2HT CYS 1 1.022 -4.598 -4.713
3 H3 CYS 1 3HT CYS 1 1.778 -5.453 -3.455
4 HA CYS 1 HA CYS 1 2.026 -2.597 -4.158
5 HB2 CYS 1 2HB CYS 1 1.434 -2.269 -1.858
6 HB3 CYS 1 1HB CYS 1 0.333 -3.509 -2.473
7 H CYS 2 H CYS 2 3.251 -2.543 -1.352
8 HA CYS 2 HA CYS 2 6.026 -3.077 -2.214
9 HB2 CYS 2 2HB CYS 2 4.743 -0.954 -0.567
10 HB3 CYS 2 1HB CYS 2 6.365 -1.467 -0.105
11 H THR 3 H THR 3 3.661 -3.463 0.345
12 HA THR 3 HA THR 3 5.263 -5.650 1.487
13 HB THR 3 HB THR 3 4.847 -4.853 3.757
14 HG1 THR 3 1HG THR 3 4.142 -2.372 3.395
15 HG21 THR 3 1HG2 THR 3 6.670 -3.781 1.970
16 HG22 THR 3 2HG2 THR 3 6.703 -3.558 3.718
17 HG23 THR 3 3HG2 THR 3 5.932 -2.350 2.690
18 H ALA 4 H ALA 4 2.736 -4.366 3.310
19 HA ALA 4 HA ALA 4 0.770 -6.271 2.248
20 HB1 ALA 4 1HB ALA 4 1.803 -5.983 5.032
21 HB2 ALA 4 2HB ALA 4 1.374 -7.444 4.143
22 HB3 ALA 4 3HB ALA 4 0.107 -6.406 4.796
23 H LEU 5 H LEU 5 1.287 -3.663 4.554
24 HA LEU 5 HA LEU 5 -1.083 -2.574 5.071
25 HB2 LEU 5 2HB LEU 5 0.835 -0.574 4.013
26 HB3 LEU 5 1HB LEU 5 0.025 -0.642 5.579
27 HG LEU 5 HG LEU 5 2.403 -2.299 4.693
28 HD11 LEU 5 1HD1 LEU 5 2.277 0.253 5.775
29 HD12 LEU 5 2HD1 LEU 5 3.675 -0.819 5.832
30 HD13 LEU 5 3HD1 LEU 5 2.544 -0.771 7.184
31 HD21 LEU 5 1HD2 LEU 5 1.633 -3.841 6.169
32 HD22 LEU 5 2HD2 LEU 5 0.358 -2.760 6.729
33 HD23 LEU 5 3HD2 LEU 5 1.971 -2.659 7.432
34 H CYS 6 H CYS 6 -2.778 -2.724 3.634
35 HA CYS 6 HA CYS 6 -2.499 -1.956 0.890
36 HB2 CYS 6 2HB CYS 6 -4.794 -2.740 2.644
37 HB3 CYS 6 1HB CYS 6 -5.119 -1.967 1.090
38 H SER 7 H SER 7 -1.541 0.042 2.574
39 HA SER 7 HA SER 7 -3.559 2.134 2.662
40 HB2 SER 7 2HB SER 7 -0.705 2.615 3.350
41 HB3 SER 7 1HB SER 7 -2.169 3.237 4.108
42 HG SER 7 HG SER 7 -1.203 0.569 4.219
43 H ARG 8 H ARG 8 -2.000 4.342 2.300
44 HA ARG 8 HA ARG 8 -1.514 4.295 -0.610
45 HB2 ARG 8 2HB ARG 8 -3.276 5.841 0.039
46 HB3 ARG 8 1HB ARG 8 -2.253 6.542 1.291
47 HG2 ARG 8 2HG ARG 8 -2.493 7.826 -0.941
48 HG3 ARG 8 1HG ARG 8 -0.873 7.634 -0.280
49 HD2 ARG 8 2HD ARG 8 -0.449 5.756 -1.787
50 HD3 ARG 8 1HD ARG 8 -2.110 5.816 -2.367
51 HE ARG 8 HE ARG 8 -1.585 7.822 -3.534
52 HH11 ARG 8 1HH1 ARG 8 -0.007 9.046 -4.622
53 HH12 ARG 8 2HH1 ARG 8 1.665 8.851 -4.211
54 HH21 ARG 8 1HH2 ARG 8 1.071 6.464 -1.774
55 HH22 ARG 8 2HH2 ARG 8 2.273 7.390 -2.605
56 H TYR 9 H TYR 9 0.205 3.538 1.753
57 HA TYR 9 HA TYR 9 2.451 5.397 1.276
58 HB2 TYR 9 2HB TYR 9 2.244 5.625 3.532
59 HB3 TYR 9 1HB TYR 9 1.379 4.096 3.709
60 HD1 TYR 9 1HD TYR 9 4.782 5.263 2.628
61 HD2 TYR 9 2HD TYR 9 2.487 2.424 4.895
62 HE1 TYR 9 1HE TYR 9 6.879 4.178 3.388
63 HE2 TYR 9 2HE TYR 9 4.587 1.339 5.652
64 HH TYR 9 HH TYR 9 7.771 2.559 4.600
65 H HIS 10 H HIS 10 1.310 2.148 1.012
66 HA HIS 10 HA HIS 10 4.070 1.168 0.613
67 HB2 HIS 10 2HB HIS 10 3.276 -1.015 1.025
68 HB3 HIS 10 1HB HIS 10 2.420 -0.001 2.188
69 HD2 HIS 10 2HD HIS 10 0.029 1.105 0.224
70 HE1 HIS 10 1HE HIS 10 -0.806 -2.975 -0.460
71 HE2 HIS 10 2HE HIS 10 -1.740 -0.620 -0.625
72 H CYS 11 H CYS 11 4.624 1.700 -1.436
73 HA CYS 11 HA CYS 11 4.763 1.521 -3.712
74 HB2 CYS 11 2HB CYS 11 3.137 -0.845 -2.950
75 HB3 CYS 11 1HB CYS 11 3.152 -0.388 -4.654
76 H LEU 12 H LEU 12 1.424 1.327 -2.555
77 HA LEU 12 HA LEU 12 0.080 3.376 -3.115
78 HB2 LEU 12 2HB LEU 12 1.354 4.049 -5.052
79 HB3 LEU 12 1HB LEU 12 0.915 2.578 -5.913
80 HG LEU 12 HG LEU 12 -0.412 4.651 -6.494
81 HD11 LEU 12 1HD1 LEU 12 -2.061 3.272 -7.167
82 HD12 LEU 12 2HD1 LEU 12 -2.503 2.865 -5.512
83 HD13 LEU 12 3HD1 LEU 12 -1.193 1.998 -6.314
84 HD21 LEU 12 1HD2 LEU 12 -1.877 4.166 -3.914
85 HD22 LEU 12 2HD2 LEU 12 -1.953 5.566 -4.980
86 HD23 LEU 12 3HD2 LEU 12 -0.521 5.288 -3.993
87 HA PRO 13 HA PRO 13 -2.657 -0.065 -5.030
88 HB2 PRO 13 2HB PRO 13 -1.173 -2.565 -4.867
89 HB3 PRO 13 1HB PRO 13 -1.881 -1.783 -6.295
90 HG2 PRO 13 2HG PRO 13 0.796 -2.024 -5.873
91 HG3 PRO 13 1HG PRO 13 0.056 -0.736 -6.840
92 HD2 PRO 13 2HD PRO 13 1.074 -0.621 -4.014
93 HD3 PRO 13 1HD PRO 13 1.194 0.594 -5.306
94 H CYS 14 H CYS 14 -2.909 -2.772 -4.039
95 HA CYS 14 HA CYS 14 -2.823 -2.387 -1.126
96 HB2 CYS 14 2HB CYS 14 -5.060 -1.862 -1.469
97 HB3 CYS 14 1HB CYS 14 -5.212 -2.972 -2.833
98 H CYS 15 H CYS 15 -1.995 -4.107 -0.064
99 HA CYS 15 HA CYS 15 -1.677 -6.601 -1.595
100 HB2 CYS 15 2HB CYS 15 -0.181 -5.302 0.619
101 HB3 CYS 15 1HB CYS 15 -0.196 -7.071 0.561
Start of MODEL 6
1 H1 CYS 1 1HT CYS 1 2.184 -4.906 -4.843
2 H2 CYS 1 2HT CYS 1 2.232 -3.271 -5.303
3 H3 CYS 1 3HT CYS 1 0.755 -3.994 -4.875
4 HA CYS 1 HA CYS 1 2.153 -2.504 -3.197
5 HB2 CYS 1 2HB CYS 1 1.068 -4.319 -1.469
6 HB3 CYS 1 1HB CYS 1 0.129 -3.081 -2.311
7 H CYS 2 H CYS 2 3.974 -2.557 -2.107
8 HA CYS 2 HA CYS 2 5.949 -4.486 -2.473
9 HB2 CYS 2 2HB CYS 2 5.891 -2.688 -0.070
10 HB3 CYS 2 1HB CYS 2 7.267 -3.179 -1.058
11 H THR 3 H THR 3 4.512 -3.737 0.692
12 HA THR 3 HA THR 3 5.062 -6.497 1.528
13 HB THR 3 HB THR 3 4.881 -5.721 3.756
14 HG1 THR 3 1HG THR 3 3.822 -3.314 2.700
15 HG21 THR 3 1HG2 THR 3 6.180 -3.689 1.939
16 HG22 THR 3 2HG2 THR 3 6.953 -4.980 2.856
17 HG23 THR 3 3HG2 THR 3 6.291 -3.578 3.696
18 H ALA 4 H ALA 4 2.471 -4.239 2.417
19 HA ALA 4 HA ALA 4 0.361 -5.874 1.374
20 HB1 ALA 4 1HB ALA 4 0.702 -5.884 4.376
21 HB2 ALA 4 2HB ALA 4 1.100 -7.249 3.332
22 HB3 ALA 4 3HB ALA 4 -0.567 -6.685 3.449
23 H LEU 5 H LEU 5 1.331 -3.540 3.824
24 HA LEU 5 HA LEU 5 -0.911 -2.204 4.458
25 HB2 LEU 5 2HB LEU 5 1.164 -0.331 3.557
26 HB3 LEU 5 1HB LEU 5 0.453 -0.546 5.156
27 HG LEU 5 HG LEU 5 2.581 -2.296 3.898
28 HD11 LEU 5 1HD1 LEU 5 2.678 -0.412 6.273
29 HD12 LEU 5 2HD1 LEU 5 3.389 -0.094 4.692
30 HD13 LEU 5 3HD1 LEU 5 4.012 -1.407 5.690
31 HD21 LEU 5 1HD2 LEU 5 2.303 -2.775 6.678
32 HD22 LEU 5 2HD2 LEU 5 1.909 -3.879 5.362
33 HD23 LEU 5 3HD2 LEU 5 0.673 -2.800 6.006
34 H CYS 6 H CYS 6 -2.485 -2.413 2.797
35 HA CYS 6 HA CYS 6 -2.127 -1.312 0.183
36 HB2 CYS 6 2HB CYS 6 -4.802 -1.592 1.534
37 HB3 CYS 6 1HB CYS 6 -4.394 -1.812 -0.164
38 H SER 7 H SER 7 -1.324 0.411 2.333
39 HA SER 7 HA SER 7 -3.322 2.545 2.416
40 HB2 SER 7 2HB SER 7 -1.195 3.559 3.748
41 HB3 SER 7 1HB SER 7 -2.422 2.537 4.499
42 HG SER 7 HG SER 7 -0.691 0.943 3.310
43 H ARG 8 H ARG 8 -2.718 4.762 1.942
44 HA ARG 8 HA ARG 8 -1.376 4.983 -0.594
45 HB2 ARG 8 2HB ARG 8 -3.044 6.680 1.125
46 HB3 ARG 8 1HB ARG 8 -1.744 7.565 0.319
47 HG2 ARG 8 2HG ARG 8 -3.595 7.615 -1.190
48 HG3 ARG 8 1HG ARG 8 -2.481 6.407 -1.839
49 HD2 ARG 8 2HD ARG 8 -4.830 5.601 -1.837
50 HD3 ARG 8 1HD ARG 8 -3.789 4.612 -0.820
51 HE ARG 8 HE ARG 8 -4.796 5.621 1.113
52 HH11 ARG 8 1HH1 ARG 8 -6.721 6.393 2.022
53 HH12 ARG 8 2HH1 ARG 8 -7.959 7.047 1.002
54 HH21 ARG 8 1HH2 ARG 8 -6.181 6.552 -1.931
55 HH22 ARG 8 2HH2 ARG 8 -7.654 7.130 -1.231
56 H TYR 9 H TYR 9 0.152 4.048 1.728
57 HA TYR 9 HA TYR 9 2.209 6.167 1.837
58 HB2 TYR 9 2HB TYR 9 1.681 6.019 4.060
59 HB3 TYR 9 1HB TYR 9 1.083 4.365 3.915
60 HD1 TYR 9 1HD TYR 9 4.360 6.030 3.138
61 HD2 TYR 9 2HD TYR 9 2.309 2.903 5.250
62 HE1 TYR 9 1HE TYR 9 6.530 5.178 3.981
63 HE2 TYR 9 2HE TYR 9 4.479 2.050 6.094
64 HH TYR 9 HH TYR 9 7.048 3.538 6.387
65 H HIS 10 H HIS 10 1.600 2.683 1.693
66 HA HIS 10 HA HIS 10 4.394 2.287 0.834
67 HB2 HIS 10 2HB HIS 10 2.793 0.840 2.655
68 HB3 HIS 10 1HB HIS 10 2.931 -0.178 1.221
69 HD2 HIS 10 2HD HIS 10 5.707 2.053 3.038
70 HE1 HIS 10 1HE HIS 10 7.248 -1.809 2.317
71 HE2 HIS 10 2HE HIS 10 7.786 0.489 3.252
72 H CYS 11 H CYS 11 4.570 2.421 -1.313
73 HA CYS 11 HA CYS 11 4.254 1.987 -3.541
74 HB2 CYS 11 2HB CYS 11 2.525 -0.337 -3.234
75 HB3 CYS 11 1HB CYS 11 4.147 -0.227 -3.914
76 H LEU 12 H LEU 12 1.192 0.936 -2.065
77 HA LEU 12 HA LEU 12 -0.669 2.615 -2.197
78 HB2 LEU 12 2HB LEU 12 0.191 3.870 -4.076
79 HB3 LEU 12 1HB LEU 12 0.002 2.482 -5.138
80 HG LEU 12 HG LEU 12 -1.856 4.197 -5.242
81 HD11 LEU 12 1HD1 LEU 12 -3.315 2.568 -5.848
82 HD12 LEU 12 2HD1 LEU 12 -3.241 1.787 -4.269
83 HD13 LEU 12 3HD1 LEU 12 -1.991 1.474 -5.467
84 HD21 LEU 12 1HD2 LEU 12 -3.342 4.486 -3.442
85 HD22 LEU 12 2HD2 LEU 12 -1.757 4.472 -2.672
86 HD23 LEU 12 3HD2 LEU 12 -2.773 3.032 -2.625
87 HA PRO 13 HA PRO 13 -2.658 -1.053 -4.958
88 HB2 PRO 13 2HB PRO 13 -0.604 -3.072 -4.506
89 HB3 PRO 13 1HB PRO 13 -1.387 -2.592 -6.019
90 HG2 PRO 13 2HG PRO 13 1.210 -1.868 -5.035
91 HG3 PRO 13 1HG PRO 13 0.466 -1.504 -6.594
92 HD2 PRO 13 2HD PRO 13 1.037 0.369 -4.633
93 HD3 PRO 13 1HD PRO 13 -0.123 0.579 -5.958
94 H CYS 14 H CYS 14 -2.345 -3.765 -3.905
95 HA CYS 14 HA CYS 14 -2.539 -3.454 -0.998
96 HB2 CYS 14 2HB CYS 14 -4.811 -2.980 -1.945
97 HB3 CYS 14 1HB CYS 14 -4.819 -4.613 -2.610
98 H CYS 15 H CYS 15 -1.173 -5.010 -0.296
99 HA CYS 15 HA CYS 15 -1.460 -7.705 -1.489
100 HB2 CYS 15 2HB CYS 15 1.044 -6.287 -0.574
101 HB3 CYS 15 1HB CYS 15 0.966 -8.041 -0.735
Start of MODEL 7
1 H1 CYS 1 1HT CYS 1 0.333 -4.664 -4.023
2 H2 CYS 1 2HT CYS 1 1.930 -5.083 -4.420
3 H3 CYS 1 3HT CYS 1 1.188 -3.752 -5.169
4 HA CYS 1 HA CYS 1 1.647 -2.371 -3.495
5 HB2 CYS 1 2HB CYS 1 0.889 -2.743 -1.358
6 HB3 CYS 1 1HB CYS 1 0.005 -4.043 -2.163
7 H CYS 2 H CYS 2 3.221 -2.643 -1.264
8 HA CYS 2 HA CYS 2 5.700 -3.729 -2.408
9 HB2 CYS 2 2HB CYS 2 5.216 -1.643 -0.271
10 HB3 CYS 2 1HB CYS 2 6.801 -2.205 -0.784
11 H THR 3 H THR 3 3.696 -3.625 0.489
12 HA THR 3 HA THR 3 5.107 -6.025 1.487
13 HB THR 3 HB THR 3 4.797 -5.211 3.769
14 HG1 THR 3 1HG THR 3 4.232 -2.677 3.370
15 HG21 THR 3 1HG2 THR 3 6.845 -4.588 2.441
16 HG22 THR 3 2HG2 THR 3 6.462 -3.461 3.741
17 HG23 THR 3 3HG2 THR 3 6.068 -3.050 2.073
18 H ALA 4 H ALA 4 2.665 -4.581 3.349
19 HA ALA 4 HA ALA 4 0.663 -6.538 2.415
20 HB1 ALA 4 1HB ALA 4 1.694 -5.964 5.139
21 HB2 ALA 4 2HB ALA 4 1.097 -7.477 4.456
22 HB3 ALA 4 3HB ALA 4 -0.041 -6.237 4.984
23 H LEU 5 H LEU 5 1.195 -3.600 4.288
24 HA LEU 5 HA LEU 5 -1.331 -2.555 4.456
25 HB2 LEU 5 2HB LEU 5 0.321 -0.347 3.926
26 HB3 LEU 5 1HB LEU 5 -0.096 -1.015 5.506
27 HG LEU 5 HG LEU 5 2.135 -2.160 3.825
28 HD11 LEU 5 1HD1 LEU 5 3.694 -0.713 4.802
29 HD12 LEU 5 2HD1 LEU 5 2.601 -0.267 6.113
30 HD13 LEU 5 3HD1 LEU 5 2.335 0.366 4.490
31 HD21 LEU 5 1HD2 LEU 5 2.023 -2.173 6.813
32 HD22 LEU 5 2HD2 LEU 5 2.671 -3.387 5.712
33 HD23 LEU 5 3HD2 LEU 5 0.928 -3.246 5.943
34 H CYS 6 H CYS 6 -2.818 -2.047 3.029
35 HA CYS 6 HA CYS 6 -2.106 -1.604 0.226
36 HB2 CYS 6 2HB CYS 6 -4.864 -1.627 1.464
37 HB3 CYS 6 1HB CYS 6 -4.444 -1.869 -0.229
38 H SER 7 H SER 7 -1.620 0.339 2.503
39 HA SER 7 HA SER 7 -3.397 2.547 1.850
40 HB2 SER 7 2HB SER 7 -1.296 2.051 3.918
41 HB3 SER 7 1HB SER 7 -1.825 3.697 3.575
42 HG SER 7 HG SER 7 -3.669 1.604 4.025
43 H ARG 8 H ARG 8 -2.533 4.695 1.432
44 HA ARG 8 HA ARG 8 -0.742 4.690 -0.799
45 HB2 ARG 8 2HB ARG 8 -2.673 6.299 -0.428
46 HB3 ARG 8 1HB ARG 8 -1.666 7.093 0.788
47 HG2 ARG 8 2HG ARG 8 -0.916 8.332 -0.967
48 HG3 ARG 8 1HG ARG 8 0.080 6.916 -1.312
49 HD2 ARG 8 2HD ARG 8 -2.132 6.114 -2.562
50 HD3 ARG 8 1HD ARG 8 -2.426 7.848 -2.651
51 HE ARG 8 HE ARG 8 0.226 7.036 -3.502
52 HH11 ARG 8 1HH1 ARG 8 0.683 7.406 -5.694
53 HH12 ARG 8 2HH1 ARG 8 -0.604 7.777 -6.792
54 HH21 ARG 8 1HH2 ARG 8 -3.078 7.608 -4.366
55 HH22 ARG 8 2HH2 ARG 8 -2.734 7.892 -6.040
56 H TYR 9 H TYR 9 0.319 3.661 1.709
57 HA TYR 9 HA TYR 9 2.456 5.625 2.273
58 HB2 TYR 9 2HB TYR 9 1.941 3.145 3.906
59 HB3 TYR 9 1HB TYR 9 2.742 4.642 4.388
60 HD1 TYR 9 1HD TYR 9 0.297 3.093 5.673
61 HD2 TYR 9 2HD TYR 9 0.652 6.531 3.119
62 HE1 TYR 9 1HE TYR 9 -1.854 3.967 6.547
63 HE2 TYR 9 2HE TYR 9 -1.499 7.402 3.992
64 HH TYR 9 HH TYR 9 -2.866 6.531 6.708
65 H HIS 10 H HIS 10 1.653 2.418 1.211
66 HA HIS 10 HA HIS 10 4.496 1.948 0.534
67 HB2 HIS 10 2HB HIS 10 2.426 0.192 1.729
68 HB3 HIS 10 1HB HIS 10 3.419 -0.540 0.463
69 HD2 HIS 10 2HD HIS 10 4.370 1.757 3.598
70 HE1 HIS 10 1HE HIS 10 7.152 -1.401 3.265
71 HE2 HIS 10 2HE HIS 10 6.513 0.658 4.608
72 H CYS 11 H CYS 11 4.463 2.791 -1.499
73 HA CYS 11 HA CYS 11 4.062 2.995 -3.721
74 HB2 CYS 11 2HB CYS 11 3.041 0.673 -4.692
75 HB3 CYS 11 1HB CYS 11 4.746 0.960 -4.399
76 H LEU 12 H LEU 12 1.305 1.029 -2.557
77 HA LEU 12 HA LEU 12 -0.686 2.721 -2.337
78 HB2 LEU 12 2HB LEU 12 -0.539 4.035 -4.201
79 HB3 LEU 12 1HB LEU 12 0.083 2.732 -5.208
80 HG LEU 12 HG LEU 12 -2.096 1.759 -5.454
81 HD11 LEU 12 1HD1 LEU 12 -3.479 1.786 -3.689
82 HD12 LEU 12 2HD1 LEU 12 -3.914 3.424 -4.162
83 HD13 LEU 12 3HD1 LEU 12 -2.650 3.163 -2.970
84 HD21 LEU 12 1HD2 LEU 12 -1.755 3.677 -6.896
85 HD22 LEU 12 2HD2 LEU 12 -2.254 4.778 -5.612
86 HD23 LEU 12 3HD2 LEU 12 -3.428 3.685 -6.344
87 HA PRO 13 HA PRO 13 -2.719 -1.028 -4.886
88 HB2 PRO 13 2HB PRO 13 -0.488 -2.913 -4.551
89 HB3 PRO 13 1HB PRO 13 -1.507 -2.610 -5.969
90 HG2 PRO 13 2HG PRO 13 1.119 -1.702 -5.501
91 HG3 PRO 13 1HG PRO 13 0.054 -1.307 -6.857
92 HD2 PRO 13 2HD PRO 13 0.932 0.474 -4.841
93 HD3 PRO 13 1HD PRO 13 -0.335 0.775 -6.044
94 H CYS 14 H CYS 14 -3.109 -3.311 -3.975
95 HA CYS 14 HA CYS 14 -2.904 -3.171 -1.037
96 HB2 CYS 14 2HB CYS 14 -5.219 -2.953 -1.960
97 HB3 CYS 14 1HB CYS 14 -5.042 -4.564 -2.660
98 H CYS 15 H CYS 15 -2.621 -5.131 0.134
99 HA CYS 15 HA CYS 15 -1.620 -7.386 -1.494
100 HB2 CYS 15 2HB CYS 15 -0.267 -5.845 0.646
101 HB3 CYS 15 1HB CYS 15 -0.054 -7.601 0.677
Start of MODEL 8
1 H1 CYS 1 1HT CYS 1 1.521 -5.320 -3.546
2 H2 CYS 1 2HT CYS 1 2.598 -4.821 -4.760
3 H3 CYS 1 3HT CYS 1 0.990 -4.274 -4.771
4 HA CYS 1 HA CYS 1 2.130 -2.462 -3.931
5 HB2 CYS 1 2HB CYS 1 1.033 -2.200 -1.938
6 HB3 CYS 1 1HB CYS 1 0.304 -3.749 -2.375
7 H CYS 2 H CYS 2 3.316 -2.288 -1.321
8 HA CYS 2 HA CYS 2 6.030 -3.054 -1.989
9 HB2 CYS 2 2HB CYS 2 4.846 -1.597 0.373
10 HB3 CYS 2 1HB CYS 2 6.565 -1.838 0.116
11 H THR 3 H THR 3 3.675 -3.698 0.581
12 HA THR 3 HA THR 3 5.038 -6.241 1.171
13 HB THR 3 HB THR 3 5.039 -5.815 3.534
14 HG1 THR 3 1HG THR 3 3.715 -3.417 2.801
15 HG21 THR 3 1HG2 THR 3 6.767 -4.667 1.875
16 HG22 THR 3 2HG2 THR 3 6.812 -4.328 3.604
17 HG23 THR 3 3HG2 THR 3 6.037 -3.190 2.502
18 H ALA 4 H ALA 4 2.648 -4.623 3.102
19 HA ALA 4 HA ALA 4 0.527 -6.442 2.177
20 HB1 ALA 4 1HB ALA 4 1.694 -6.161 4.881
21 HB2 ALA 4 2HB ALA 4 0.878 -7.539 4.143
22 HB3 ALA 4 3HB ALA 4 -0.067 -6.204 4.800
23 H LEU 5 H LEU 5 1.326 -3.678 4.226
24 HA LEU 5 HA LEU 5 -1.065 -2.425 4.558
25 HB2 LEU 5 2HB LEU 5 1.374 -0.858 3.736
26 HB3 LEU 5 1HB LEU 5 0.131 -0.410 4.903
27 HG LEU 5 HG LEU 5 2.307 -2.490 5.184
28 HD11 LEU 5 1HD1 LEU 5 2.306 -1.164 7.491
29 HD12 LEU 5 2HD1 LEU 5 1.529 0.079 6.513
30 HD13 LEU 5 3HD1 LEU 5 3.131 -0.516 6.075
31 HD21 LEU 5 1HD2 LEU 5 -0.313 -2.220 6.664
32 HD22 LEU 5 2HD2 LEU 5 1.101 -2.938 7.435
33 HD23 LEU 5 3HD2 LEU 5 0.417 -3.676 5.987
34 H CYS 6 H CYS 6 -2.629 -2.208 3.090
35 HA CYS 6 HA CYS 6 -2.033 -1.656 0.300
36 HB2 CYS 6 2HB CYS 6 -4.733 -1.795 1.656
37 HB3 CYS 6 1HB CYS 6 -4.397 -1.946 -0.066
38 H SER 7 H SER 7 -1.463 0.327 2.473
39 HA SER 7 HA SER 7 -3.333 2.491 1.872
40 HB2 SER 7 2HB SER 7 -2.355 1.962 4.199
41 HB3 SER 7 1HB SER 7 -0.881 2.721 3.598
42 HG SER 7 HG SER 7 -2.338 4.510 2.983
43 H ARG 8 H ARG 8 -2.492 4.638 1.334
44 HA ARG 8 HA ARG 8 -0.833 4.569 -0.984
45 HB2 ARG 8 2HB ARG 8 -2.490 6.238 -1.008
46 HB3 ARG 8 1HB ARG 8 -2.157 6.722 0.653
47 HG2 ARG 8 2HG ARG 8 -1.373 8.394 -1.017
48 HG3 ARG 8 1HG ARG 8 -0.056 7.768 -0.031
49 HD2 ARG 8 2HD ARG 8 0.359 6.085 -1.924
50 HD3 ARG 8 1HD ARG 8 -0.763 7.041 -2.883
51 HE ARG 8 HE ARG 8 1.417 8.544 -1.683
52 HH11 ARG 8 1HH1 ARG 8 2.836 9.501 -3.184
53 HH12 ARG 8 2HH1 ARG 8 2.769 9.030 -4.849
54 HH21 ARG 8 1HH2 ARG 8 0.205 6.748 -4.378
55 HH22 ARG 8 2HH2 ARG 8 1.280 7.472 -5.526
56 H TYR 9 H TYR 9 0.011 4.021 2.008
57 HA TYR 9 HA TYR 9 2.397 5.723 2.106
58 HB2 TYR 9 2HB TYR 9 1.240 5.700 4.170
59 HB3 TYR 9 1HB TYR 9 0.990 3.960 4.107
60 HD1 TYR 9 1HD TYR 9 2.002 3.346 6.180
61 HD2 TYR 9 2HD TYR 9 4.182 5.707 3.331
62 HE1 TYR 9 1HE TYR 9 4.075 3.039 7.506
63 HE2 TYR 9 2HE TYR 9 6.256 5.393 4.651
64 HH TYR 9 HH TYR 9 7.066 3.504 6.378
65 H HIS 10 H HIS 10 1.526 2.878 0.741
66 HA HIS 10 HA HIS 10 4.296 1.998 0.600
67 HB2 HIS 10 2HB HIS 10 2.386 -0.201 1.166
68 HB3 HIS 10 1HB HIS 10 4.088 -0.039 1.599
69 HD2 HIS 10 2HD HIS 10 4.514 0.778 4.196
70 HE1 HIS 10 1HE HIS 10 0.560 1.961 5.069
71 HE2 HIS 10 2HE HIS 10 2.875 1.611 6.046
72 H CYS 11 H CYS 11 4.469 2.195 -1.543
73 HA CYS 11 HA CYS 11 4.245 1.717 -3.763
74 HB2 CYS 11 2HB CYS 11 2.678 -0.596 -2.630
75 HB3 CYS 11 1HB CYS 11 2.940 -0.380 -4.360
76 H LEU 12 H LEU 12 1.098 1.250 -2.150
77 HA LEU 12 HA LEU 12 -0.571 3.032 -2.495
78 HB2 LEU 12 2HB LEU 12 0.521 4.041 -4.427
79 HB3 LEU 12 1HB LEU 12 0.114 2.641 -5.414
80 HG LEU 12 HG LEU 12 -1.422 4.659 -5.612
81 HD11 LEU 12 1HD1 LEU 12 -1.938 1.928 -5.730
82 HD12 LEU 12 2HD1 LEU 12 -2.964 3.209 -6.374
83 HD13 LEU 12 3HD1 LEU 12 -3.264 2.570 -4.760
84 HD21 LEU 12 1HD2 LEU 12 -2.602 3.668 -3.023
85 HD22 LEU 12 2HD2 LEU 12 -2.954 5.159 -3.888
86 HD23 LEU 12 3HD2 LEU 12 -1.415 4.969 -3.054
87 HA PRO 13 HA PRO 13 -2.969 -0.522 -4.617
88 HB2 PRO 13 2HB PRO 13 -1.237 -2.818 -4.878
89 HB3 PRO 13 1HB PRO 13 -2.054 -1.907 -6.161
90 HG2 PRO 13 2HG PRO 13 0.663 -1.970 -5.749
91 HG3 PRO 13 1HG PRO 13 -0.208 -0.709 -6.641
92 HD2 PRO 13 2HD PRO 13 0.869 -0.647 -3.854
93 HD3 PRO 13 1HD PRO 13 0.732 0.661 -5.048
94 H CYS 14 H CYS 14 -3.197 -3.161 -3.950
95 HA CYS 14 HA CYS 14 -2.846 -3.158 -1.021
96 HB2 CYS 14 2HB CYS 14 -5.221 -2.971 -1.793
97 HB3 CYS 14 1HB CYS 14 -5.032 -4.534 -2.591
98 H CYS 15 H CYS 15 -1.947 -4.938 -0.066
99 HA CYS 15 HA CYS 15 -1.198 -7.133 -1.900
100 HB2 CYS 15 2HB CYS 15 0.592 -7.262 0.189
101 HB3 CYS 15 1HB CYS 15 0.908 -6.530 -1.386
Start of MODEL 9
1 H1 CYS 1 1HT CYS 1 1.272 -5.220 -3.436
2 H2 CYS 1 2HT CYS 1 2.546 -5.043 -4.546
3 H3 CYS 1 3HT CYS 1 1.073 -4.236 -4.804
4 HA CYS 1 HA CYS 1 2.293 -2.527 -3.962
5 HB2 CYS 1 2HB CYS 1 1.140 -2.046 -2.056
6 HB3 CYS 1 1HB CYS 1 0.357 -3.602 -2.328
7 H CYS 2 H CYS 2 3.533 -2.307 -1.374
8 HA CYS 2 HA CYS 2 6.116 -3.424 -2.042
9 HB2 CYS 2 2HB CYS 2 5.631 -2.020 0.537
10 HB3 CYS 2 1HB CYS 2 6.996 -1.905 -0.563
11 H THR 3 H THR 3 3.926 -3.578 0.758
12 HA THR 3 HA THR 3 5.105 -6.210 1.426
13 HB THR 3 HB THR 3 5.009 -5.667 3.760
14 HG1 THR 3 1HG THR 3 4.404 -3.135 3.835
15 HG21 THR 3 1HG2 THR 3 6.615 -3.829 3.876
16 HG22 THR 3 2HG2 THR 3 6.151 -3.293 2.261
17 HG23 THR 3 3HG2 THR 3 6.977 -4.837 2.475
18 H ALA 4 H ALA 4 2.639 -4.427 3.118
19 HA ALA 4 HA ALA 4 0.529 -6.244 2.184
20 HB1 ALA 4 1HB ALA 4 -0.099 -6.896 4.329
21 HB2 ALA 4 2HB ALA 4 0.750 -5.550 5.092
22 HB3 ALA 4 3HB ALA 4 1.661 -6.913 4.440
23 H LEU 5 H LEU 5 1.346 -3.468 4.215
24 HA LEU 5 HA LEU 5 -1.001 -2.170 4.560
25 HB2 LEU 5 2HB LEU 5 1.238 -0.468 3.563
26 HB3 LEU 5 1HB LEU 5 0.206 -0.257 4.978
27 HG LEU 5 HG LEU 5 2.512 -2.193 4.655
28 HD11 LEU 5 1HD1 LEU 5 3.676 -0.699 5.883
29 HD12 LEU 5 2HD1 LEU 5 2.368 -0.547 7.056
30 HD13 LEU 5 3HD1 LEU 5 2.359 0.439 5.594
31 HD21 LEU 5 1HD2 LEU 5 1.086 -3.537 5.895
32 HD22 LEU 5 2HD2 LEU 5 0.189 -2.163 6.544
33 HD23 LEU 5 3HD2 LEU 5 1.774 -2.570 7.199
34 H CYS 6 H CYS 6 -2.559 -2.341 2.993
35 HA CYS 6 HA CYS 6 -2.042 -1.650 0.242
36 HB2 CYS 6 2HB CYS 6 -4.712 -1.937 1.642
37 HB3 CYS 6 1HB CYS 6 -4.415 -2.015 -0.093
38 H SER 7 H SER 7 -1.550 0.267 2.479
39 HA SER 7 HA SER 7 -3.458 2.411 1.960
40 HB2 SER 7 2HB SER 7 -2.572 1.890 4.261
41 HB3 SER 7 1HB SER 7 -0.995 2.453 3.709
42 HG SER 7 HG SER 7 -3.390 3.975 3.546
43 H ARG 8 H ARG 8 -2.586 4.619 1.572
44 HA ARG 8 HA ARG 8 -0.964 4.668 -0.786
45 HB2 ARG 8 2HB ARG 8 -1.622 7.029 0.986
46 HB3 ARG 8 1HB ARG 8 -1.292 7.029 -0.750
47 HG2 ARG 8 2HG ARG 8 -3.429 5.232 -0.410
48 HG3 ARG 8 1HG ARG 8 -3.810 6.608 0.632
49 HD2 ARG 8 2HD ARG 8 -3.137 6.701 -2.317
50 HD3 ARG 8 1HD ARG 8 -4.698 7.048 -1.585
51 HE ARG 8 HE ARG 8 -3.537 8.976 -0.469
52 HH11 ARG 8 1HH1 ARG 8 -2.469 10.850 -1.132
53 HH12 ARG 8 2HH1 ARG 8 -1.564 10.858 -2.608
54 HH21 ARG 8 1HH2 ARG 8 -2.257 7.551 -3.373
55 HH22 ARG 8 2HH2 ARG 8 -1.444 8.995 -3.871
56 H TYR 9 H TYR 9 0.007 3.695 1.955
57 HA TYR 9 HA TYR 9 2.275 5.452 2.473
58 HB2 TYR 9 2HB TYR 9 0.683 3.818 4.063
59 HB3 TYR 9 1HB TYR 9 2.198 2.921 3.924
60 HD1 TYR 9 1HD TYR 9 4.357 4.603 4.014
61 HD2 TYR 9 2HD TYR 9 0.540 5.247 5.871
62 HE1 TYR 9 1HE TYR 9 5.413 6.145 5.649
63 HE2 TYR 9 2HE TYR 9 1.591 6.790 7.505
64 HH TYR 9 HH TYR 9 4.583 8.131 7.096
65 H HIS 10 H HIS 10 1.559 2.195 1.316
66 HA HIS 10 HA HIS 10 4.380 1.970 0.452
67 HB2 HIS 10 2HB HIS 10 2.657 0.141 1.985
68 HB3 HIS 10 1HB HIS 10 3.552 -0.621 0.666
69 HD2 HIS 10 2HD HIS 10 5.155 2.343 2.722
70 HE1 HIS 10 1HE HIS 10 7.292 -1.190 3.599
71 HE2 HIS 10 2HE HIS 10 7.238 1.328 3.925
72 H CYS 11 H CYS 11 4.543 2.072 -1.667
73 HA CYS 11 HA CYS 11 4.218 1.699 -3.894
74 HB2 CYS 11 2HB CYS 11 2.500 -0.550 -2.858
75 HB3 CYS 11 1HB CYS 11 2.977 -0.351 -4.544
76 H LEU 12 H LEU 12 1.074 1.196 -2.285
77 HA LEU 12 HA LEU 12 -0.537 3.091 -2.512
78 HB2 LEU 12 2HB LEU 12 0.501 4.134 -4.433
79 HB3 LEU 12 1HB LEU 12 0.115 2.752 -5.448
80 HG LEU 12 HG LEU 12 -1.442 4.736 -5.623
81 HD11 LEU 12 1HD1 LEU 12 -3.249 2.618 -4.749
82 HD12 LEU 12 2HD1 LEU 12 -1.937 2.013 -5.763
83 HD13 LEU 12 3HD1 LEU 12 -2.999 3.286 -6.361
84 HD21 LEU 12 1HD2 LEU 12 -1.411 5.062 -3.075
85 HD22 LEU 12 2HD2 LEU 12 -2.573 3.741 -3.014
86 HD23 LEU 12 3HD2 LEU 12 -2.967 5.216 -3.887
87 HA PRO 13 HA PRO 13 -3.087 -0.350 -4.649
88 HB2 PRO 13 2HB PRO 13 -1.348 -2.659 -5.023
89 HB3 PRO 13 1HB PRO 13 -2.287 -1.768 -6.236
90 HG2 PRO 13 2HG PRO 13 0.427 -1.747 -6.122
91 HG3 PRO 13 1HG PRO 13 -0.543 -0.417 -6.783
92 HD2 PRO 13 2HD PRO 13 0.753 -0.643 -4.085
93 HD3 PRO 13 1HD PRO 13 0.642 0.764 -5.160
94 H CYS 14 H CYS 14 -3.090 -3.142 -4.053
95 HA CYS 14 HA CYS 14 -2.818 -3.091 -1.116
96 HB2 CYS 14 2HB CYS 14 -5.187 -3.030 -1.874
97 HB3 CYS 14 1HB CYS 14 -4.920 -4.561 -2.710
98 H CYS 15 H CYS 15 -1.942 -4.858 -0.099
99 HA CYS 15 HA CYS 15 -1.022 -7.025 -1.891
100 HB2 CYS 15 2HB CYS 15 0.756 -7.048 0.197
101 HB3 CYS 15 1HB CYS 15 1.043 -6.289 -1.371
Start of MODEL 10
1 H1 CYS 1 1HT CYS 1 0.958 -4.004 -5.221
2 H2 CYS 1 2HT CYS 1 2.533 -4.615 -5.032
3 H3 CYS 1 3HT CYS 1 2.287 -3.110 -5.779
4 HA CYS 1 HA CYS 1 1.910 -2.017 -3.836
5 HB2 CYS 1 2HB CYS 1 1.424 -3.951 -1.849
6 HB3 CYS 1 1HB CYS 1 0.242 -2.858 -2.576
7 H CYS 2 H CYS 2 3.046 -2.110 -1.584
8 HA CYS 2 HA CYS 2 5.785 -2.886 -2.084
9 HB2 CYS 2 2HB CYS 2 4.336 -1.344 0.020
10 HB3 CYS 2 1HB CYS 2 5.923 -2.002 0.408
11 H THR 3 H THR 3 4.088 -3.281 0.978
12 HA THR 3 HA THR 3 5.158 -6.025 1.166
13 HB THR 3 HB THR 3 5.157 -5.766 3.510
14 HG1 THR 3 1HG THR 3 4.077 -3.390 3.914
15 HG21 THR 3 1HG2 THR 3 6.804 -4.324 2.200
16 HG22 THR 3 2HG2 THR 3 6.502 -3.825 3.866
17 HG23 THR 3 3HG2 THR 3 5.731 -2.966 2.533
18 H ALA 4 H ALA 4 2.460 -4.374 2.735
19 HA ALA 4 HA ALA 4 0.486 -6.112 1.517
20 HB1 ALA 4 1HB ALA 4 1.263 -6.344 4.421
21 HB2 ALA 4 2HB ALA 4 1.123 -7.632 3.224
22 HB3 ALA 4 3HB ALA 4 -0.326 -6.833 3.833
23 H LEU 5 H LEU 5 1.327 -3.714 3.944
24 HA LEU 5 HA LEU 5 -1.101 -2.665 4.648
25 HB2 LEU 5 2HB LEU 5 1.180 -0.852 3.877
26 HB3 LEU 5 1HB LEU 5 0.015 -0.659 5.187
27 HG LEU 5 HG LEU 5 2.274 -2.669 5.016
28 HD11 LEU 5 1HD1 LEU 5 3.052 -0.573 5.841
29 HD12 LEU 5 2HD1 LEU 5 2.778 -1.564 7.274
30 HD13 LEU 5 3HD1 LEU 5 1.601 -0.333 6.814
31 HD21 LEU 5 1HD2 LEU 5 -0.228 -2.611 6.660
32 HD22 LEU 5 2HD2 LEU 5 1.263 -3.138 7.441
33 HD23 LEU 5 3HD2 LEU 5 0.660 -3.995 6.023
34 H CYS 6 H CYS 6 -2.690 -2.688 3.086
35 HA CYS 6 HA CYS 6 -2.324 -1.663 0.449
36 HB2 CYS 6 2HB CYS 6 -4.926 -1.974 1.967
37 HB3 CYS 6 1HB CYS 6 -4.722 -1.897 0.218
38 H SER 7 H SER 7 -1.282 0.167 2.216
39 HA SER 7 HA SER 7 -3.214 2.326 2.535
40 HB2 SER 7 2HB SER 7 -0.643 1.601 3.688
41 HB3 SER 7 1HB SER 7 -0.715 3.304 3.231
42 HG SER 7 HG SER 7 -2.063 3.622 4.808
43 H ARG 8 H ARG 8 -1.911 4.573 2.126
44 HA ARG 8 HA ARG 8 -1.348 4.544 -0.768
45 HB2 ARG 8 2HB ARG 8 -2.324 6.733 1.079
46 HB3 ARG 8 1HB ARG 8 -1.847 7.010 -0.600
47 HG2 ARG 8 2HG ARG 8 -3.688 4.748 -0.298
48 HG3 ARG 8 1HG ARG 8 -4.383 6.280 0.245
49 HD2 ARG 8 2HD ARG 8 -2.893 6.189 -2.357
50 HD3 ARG 8 1HD ARG 8 -4.545 5.582 -2.295
51 HE ARG 8 HE ARG 8 -4.522 8.098 -1.059
52 HH11 ARG 8 1HH1 ARG 8 -5.178 9.930 -2.235
53 HH12 ARG 8 2HH1 ARG 8 -5.139 9.898 -3.966
54 HH21 ARG 8 1HH2 ARG 8 -3.943 6.650 -4.146
55 HH22 ARG 8 2HH2 ARG 8 -4.440 8.042 -5.049
56 H TYR 9 H TYR 9 0.503 4.007 1.592
57 HA TYR 9 HA TYR 9 2.534 6.011 0.834
58 HB2 TYR 9 2HB TYR 9 3.521 5.496 3.173
59 HB3 TYR 9 1HB TYR 9 2.144 6.592 3.066
60 HD1 TYR 9 1HD TYR 9 2.958 2.958 3.537
61 HD2 TYR 9 2HD TYR 9 0.238 6.184 4.354
62 HE1 TYR 9 1HE TYR 9 1.679 1.493 5.076
63 HE2 TYR 9 2HE TYR 9 -1.043 4.716 5.890
64 HH TYR 9 HH TYR 9 0.089 1.976 7.183
65 H HIS 10 H HIS 10 1.753 2.691 1.635
66 HA HIS 10 HA HIS 10 4.485 1.823 1.014
67 HB2 HIS 10 2HB HIS 10 2.243 0.704 2.492
68 HB3 HIS 10 1HB HIS 10 2.832 -0.437 1.282
69 HD2 HIS 10 2HD HIS 10 3.953 1.064 4.681
70 HE1 HIS 10 1HE HIS 10 7.183 -1.229 3.219
71 HE2 HIS 10 2HE HIS 10 6.291 0.041 5.230
72 H CYS 11 H CYS 11 4.631 2.365 -1.158
73 HA CYS 11 HA CYS 11 4.469 2.017 -3.416
74 HB2 CYS 11 2HB CYS 11 3.142 -0.503 -2.421
75 HB3 CYS 11 1HB CYS 11 3.247 -0.133 -4.138
76 H LEU 12 H LEU 12 1.364 0.756 -2.242
77 HA LEU 12 HA LEU 12 -0.401 2.634 -2.227
78 HB2 LEU 12 2HB LEU 12 -0.008 3.959 -4.033
79 HB3 LEU 12 1HB LEU 12 0.594 2.640 -5.023
80 HG LEU 12 HG LEU 12 -1.615 1.869 -5.512
81 HD11 LEU 12 1HD1 LEU 12 -2.287 3.156 -3.008
82 HD12 LEU 12 2HD1 LEU 12 -3.185 1.941 -3.913
83 HD13 LEU 12 3HD1 LEU 12 -3.395 3.647 -4.283
84 HD21 LEU 12 1HD2 LEU 12 -1.703 4.894 -5.501
85 HD22 LEU 12 2HD2 LEU 12 -2.639 3.827 -6.549
86 HD23 LEU 12 3HD2 LEU 12 -0.886 3.915 -6.720
87 HA PRO 13 HA PRO 13 -2.746 -0.826 -4.805
88 HB2 PRO 13 2HB PRO 13 -0.668 -2.925 -4.605
89 HB3 PRO 13 1HB PRO 13 -1.777 -2.560 -5.938
90 HG2 PRO 13 2HG PRO 13 0.879 -1.951 -5.914
91 HG3 PRO 13 1HG PRO 13 -0.340 -1.128 -6.897
92 HD2 PRO 13 2HD PRO 13 1.147 -0.106 -4.594
93 HD3 PRO 13 1HD PRO 13 0.157 0.766 -5.773
94 H CYS 14 H CYS 14 -3.237 -3.203 -3.951
95 HA CYS 14 HA CYS 14 -2.979 -3.118 -1.008
96 HB2 CYS 14 2HB CYS 14 -5.284 -2.733 -1.748
97 HB3 CYS 14 1HB CYS 14 -5.244 -4.240 -2.673
98 H CYS 15 H CYS 15 -1.614 -4.632 -0.295
99 HA CYS 15 HA CYS 15 -1.520 -7.211 -1.745
100 HB2 CYS 15 2HB CYS 15 0.585 -5.496 -0.558
101 HB3 CYS 15 1HB CYS 15 0.770 -7.236 -0.309
Start of MODEL 11
1 H1 CYS 1 1HT CYS 1 1.580 -5.301 -3.611
2 H2 CYS 1 2HT CYS 1 1.630 -4.309 -4.989
3 H3 CYS 1 3HT CYS 1 0.322 -4.203 -3.911
4 HA CYS 1 HA CYS 1 2.068 -2.389 -3.765
5 HB2 CYS 1 2HB CYS 1 1.588 -2.113 -1.499
6 HB3 CYS 1 1HB CYS 1 0.320 -3.243 -1.976
7 H CYS 2 H CYS 2 3.539 -2.782 -1.240
8 HA CYS 2 HA CYS 2 5.932 -4.075 -2.349
9 HB2 CYS 2 2HB CYS 2 5.708 -2.106 -0.067
10 HB3 CYS 2 1HB CYS 2 7.173 -2.625 -0.888
11 H THR 3 H THR 3 3.699 -3.998 0.348
12 HA THR 3 HA THR 3 4.893 -6.484 1.379
13 HB THR 3 HB THR 3 4.679 -5.690 3.669
14 HG1 THR 3 1HG THR 3 4.453 -3.182 3.592
15 HG21 THR 3 1HG2 THR 3 6.570 -4.176 3.694
16 HG22 THR 3 2HG2 THR 3 6.256 -3.692 2.027
17 HG23 THR 3 3HG2 THR 3 6.811 -5.327 2.381
18 H ALA 4 H ALA 4 2.691 -4.748 3.294
19 HA ALA 4 HA ALA 4 0.406 -6.368 2.386
20 HB1 ALA 4 1HB ALA 4 0.134 -7.326 4.403
21 HB2 ALA 4 2HB ALA 4 0.419 -5.803 5.244
22 HB3 ALA 4 3HB ALA 4 1.783 -6.804 4.748
23 H LEU 5 H LEU 5 1.390 -3.737 4.531
24 HA LEU 5 HA LEU 5 -0.810 -2.339 5.045
25 HB2 LEU 5 2HB LEU 5 1.142 -0.529 3.841
26 HB3 LEU 5 1HB LEU 5 0.582 -0.637 5.511
27 HG LEU 5 HG LEU 5 2.632 -2.449 4.213
28 HD11 LEU 5 1HD1 LEU 5 2.816 -0.165 6.187
29 HD12 LEU 5 2HD1 LEU 5 3.653 -0.335 4.644
30 HD13 LEU 5 3HD1 LEU 5 4.101 -1.360 6.008
31 HD21 LEU 5 1HD2 LEU 5 2.513 -2.558 7.096
32 HD22 LEU 5 2HD2 LEU 5 2.298 -3.869 5.939
33 HD23 LEU 5 3HD2 LEU 5 0.915 -2.892 6.429
34 H CYS 6 H CYS 6 -2.571 -2.314 3.752
35 HA CYS 6 HA CYS 6 -2.323 -1.717 0.933
36 HB2 CYS 6 2HB CYS 6 -4.504 -2.591 2.747
37 HB3 CYS 6 1HB CYS 6 -4.971 -1.683 1.308
38 H SER 7 H SER 7 -1.497 0.255 2.930
39 HA SER 7 HA SER 7 -3.476 2.387 2.715
40 HB2 SER 7 2HB SER 7 -2.138 1.931 4.821
41 HB3 SER 7 1HB SER 7 -0.726 2.536 3.951
42 HG SER 7 HG SER 7 -2.179 4.416 3.498
43 H ARG 8 H ARG 8 -2.913 4.493 1.894
44 HA ARG 8 HA ARG 8 -1.575 4.347 -0.632
45 HB2 ARG 8 2HB ARG 8 -2.067 7.009 0.587
46 HB3 ARG 8 1HB ARG 8 -2.444 6.421 -1.035
47 HG2 ARG 8 2HG ARG 8 -3.948 5.727 1.509
48 HG3 ARG 8 1HG ARG 8 -4.513 6.801 0.226
49 HD2 ARG 8 2HD ARG 8 -4.736 5.027 -1.321
50 HD3 ARG 8 1HD ARG 8 -3.744 3.939 -0.356
51 HE ARG 8 HE ARG 8 -5.874 4.508 1.270
52 HH11 ARG 8 1HH1 ARG 8 -7.782 3.285 1.290
53 HH12 ARG 8 2HH1 ARG 8 -8.235 2.372 -0.110
54 HH21 ARG 8 1HH2 ARG 8 -5.465 3.333 -1.960
55 HH22 ARG 8 2HH2 ARG 8 -6.920 2.394 -1.948
56 H TYR 9 H TYR 9 0.042 3.604 1.619
57 HA TYR 9 HA TYR 9 2.112 5.712 1.526
58 HB2 TYR 9 2HB TYR 9 1.690 5.617 3.781
59 HB3 TYR 9 1HB TYR 9 1.135 3.943 3.715
60 HD1 TYR 9 1HD TYR 9 4.321 5.528 2.527
61 HD2 TYR 9 2HD TYR 9 2.465 2.703 5.178
62 HE1 TYR 9 1HE TYR 9 6.559 4.743 3.255
63 HE2 TYR 9 2HE TYR 9 4.702 1.917 5.905
64 HH TYR 9 HH TYR 9 6.890 2.122 5.658
65 H HIS 10 H HIS 10 1.429 2.246 1.396
66 HA HIS 10 HA HIS 10 4.211 1.745 0.579
67 HB2 HIS 10 2HB HIS 10 2.089 0.094 1.798
68 HB3 HIS 10 1HB HIS 10 3.021 -0.712 0.532
69 HD2 HIS 10 2HD HIS 10 4.794 1.906 2.858
70 HE1 HIS 10 1HE HIS 10 6.253 -1.928 3.853
71 HE2 HIS 10 2HE HIS 10 6.547 0.563 4.249
72 H CYS 11 H CYS 11 4.434 2.322 -1.495
73 HA CYS 11 HA CYS 11 4.262 2.274 -3.766
74 HB2 CYS 11 2HB CYS 11 2.732 -0.073 -4.247
75 HB3 CYS 11 1HB CYS 11 4.470 0.148 -4.412
76 H LEU 12 H LEU 12 1.186 0.973 -2.536
77 HA LEU 12 HA LEU 12 -0.748 2.537 -2.590
78 HB2 LEU 12 2HB LEU 12 0.216 4.046 -4.247
79 HB3 LEU 12 1HB LEU 12 0.047 2.812 -5.493
80 HG LEU 12 HG LEU 12 -1.796 4.516 -5.456
81 HD11 LEU 12 1HD1 LEU 12 -3.190 2.019 -4.708
82 HD12 LEU 12 2HD1 LEU 12 -1.970 1.862 -5.975
83 HD13 LEU 12 3HD1 LEU 12 -3.314 2.983 -6.176
84 HD21 LEU 12 1HD2 LEU 12 -1.712 4.490 -2.828
85 HD22 LEU 12 2HD2 LEU 12 -2.862 3.164 -3.003
86 HD23 LEU 12 3HD2 LEU 12 -3.247 4.758 -3.653
87 HA PRO 13 HA PRO 13 -2.427 -0.696 -6.074
88 HB2 PRO 13 2HB PRO 13 -0.369 -2.718 -5.483
89 HB3 PRO 13 1HB PRO 13 -1.021 -2.198 -7.050
90 HG2 PRO 13 2HG PRO 13 1.420 -1.393 -5.752
91 HG3 PRO 13 1HG PRO 13 0.834 -0.987 -7.375
92 HD2 PRO 13 2HD PRO 13 1.081 0.855 -5.347
93 HD3 PRO 13 1HD PRO 13 -0.068 1.019 -6.692
94 H CYS 14 H CYS 14 -0.825 -1.070 -2.991
95 HA CYS 14 HA CYS 14 -1.504 -1.932 -1.000
96 HB2 CYS 14 2HB CYS 14 -3.573 -1.103 -0.730
97 HB3 CYS 14 1HB CYS 14 -3.969 -1.343 -2.429
98 H CYS 15 H CYS 15 -1.682 -3.909 0.044
99 HA CYS 15 HA CYS 15 -1.756 -6.258 -1.756
100 HB2 CYS 15 2HB CYS 15 -0.369 -6.996 0.540
101 HB3 CYS 15 1HB CYS 15 0.353 -6.578 -1.015
Start of MODEL 12
1 H1 CYS 1 1HT CYS 1 2.668 -3.588 -5.073
2 H2 CYS 1 2HT CYS 1 1.000 -3.666 -4.759
3 H3 CYS 1 3HT CYS 1 2.024 -4.923 -4.247
4 HA CYS 1 HA CYS 1 1.878 -2.156 -3.192
5 HB2 CYS 1 2HB CYS 1 1.317 -3.245 -1.116
6 HB3 CYS 1 1HB CYS 1 0.283 -3.952 -2.365
7 H CYS 2 H CYS 2 3.235 -2.394 -0.951
8 HA CYS 2 HA CYS 2 5.981 -2.974 -1.822
9 HB2 CYS 2 2HB CYS 2 4.820 -1.240 0.364
10 HB3 CYS 2 1HB CYS 2 6.542 -1.569 0.209
11 H THR 3 H THR 3 3.556 -3.739 0.574
12 HA THR 3 HA THR 3 5.105 -6.070 1.437
13 HB THR 3 HB THR 3 4.778 -5.555 3.809
14 HG1 THR 3 1HG THR 3 4.199 -2.928 3.481
15 HG21 THR 3 1HG2 THR 3 6.133 -3.323 2.267
16 HG22 THR 3 2HG2 THR 3 6.882 -4.831 2.789
17 HG23 THR 3 3HG2 THR 3 6.364 -3.643 3.986
18 H ALA 4 H ALA 4 2.608 -4.755 3.371
19 HA ALA 4 HA ALA 4 0.577 -6.530 2.197
20 HB1 ALA 4 1HB ALA 4 0.680 -6.151 5.156
21 HB2 ALA 4 2HB ALA 4 1.796 -7.301 4.421
22 HB3 ALA 4 3HB ALA 4 0.058 -7.512 4.221
23 H LEU 5 H LEU 5 1.281 -3.928 4.465
24 HA LEU 5 HA LEU 5 -1.103 -2.803 5.021
25 HB2 LEU 5 2HB LEU 5 1.082 -0.987 4.055
26 HB3 LEU 5 1HB LEU 5 0.008 -0.796 5.440
27 HG LEU 5 HG LEU 5 2.362 -2.678 5.163
28 HD11 LEU 5 1HD1 LEU 5 1.829 -0.899 7.507
29 HD12 LEU 5 2HD1 LEU 5 2.373 -0.145 6.007
30 HD13 LEU 5 3HD1 LEU 5 3.367 -1.376 6.786
31 HD21 LEU 5 1HD2 LEU 5 0.849 -4.090 6.248
32 HD22 LEU 5 2HD2 LEU 5 -0.019 -2.750 6.998
33 HD23 LEU 5 3HD2 LEU 5 1.556 -3.239 7.620
34 H CYS 6 H CYS 6 -2.817 -2.525 3.734
35 HA CYS 6 HA CYS 6 -2.478 -1.742 0.949
36 HB2 CYS 6 2HB CYS 6 -4.737 -2.702 2.640
37 HB3 CYS 6 1HB CYS 6 -5.126 -1.706 1.236
38 H SER 7 H SER 7 -1.408 0.161 2.498
39 HA SER 7 HA SER 7 -3.369 2.229 3.077
40 HB2 SER 7 2HB SER 7 -0.362 2.217 3.356
41 HB3 SER 7 1HB SER 7 -1.455 3.450 3.977
42 HG SER 7 HG SER 7 -1.085 0.790 4.792
43 H ARG 8 H ARG 8 -1.271 4.274 2.520
44 HA ARG 8 HA ARG 8 -1.700 4.516 -0.396
45 HB2 ARG 8 2HB ARG 8 -1.642 6.609 1.784
46 HB3 ARG 8 1HB ARG 8 -1.528 7.010 0.068
47 HG2 ARG 8 2HG ARG 8 -3.760 5.278 1.135
48 HG3 ARG 8 1HG ARG 8 -3.882 7.039 1.148
49 HD2 ARG 8 2HD ARG 8 -3.026 6.562 -1.420
50 HD3 ARG 8 1HD ARG 8 -4.037 5.154 -1.117
51 HE ARG 8 HE ARG 8 -5.538 7.289 -0.243
52 HH11 ARG 8 1HH1 ARG 8 -6.995 8.384 -1.602
53 HH12 ARG 8 2HH1 ARG 8 -6.771 8.339 -3.319
54 HH21 ARG 8 1HH2 ARG 8 -3.926 6.361 -3.159
55 HH22 ARG 8 2HH2 ARG 8 -5.033 7.191 -4.201
56 H TYR 9 H TYR 9 0.544 4.036 2.008
57 HA TYR 9 HA TYR 9 2.721 5.415 0.603
58 HB2 TYR 9 2HB TYR 9 3.734 5.577 2.612
59 HB3 TYR 9 1HB TYR 9 2.192 5.072 3.303
60 HD1 TYR 9 1HD TYR 9 5.584 4.417 3.390
61 HD2 TYR 9 2HD TYR 9 1.835 2.351 3.016
62 HE1 TYR 9 1HE TYR 9 6.647 2.343 4.233
63 HE2 TYR 9 2HE TYR 9 2.899 0.275 3.859
64 HH TYR 9 HH TYR 9 6.292 -0.067 4.149
65 H HIS 10 H HIS 10 1.330 2.303 1.164
66 HA HIS 10 HA HIS 10 3.568 0.662 0.537
67 HB2 HIS 10 2HB HIS 10 1.901 -1.088 0.149
68 HB3 HIS 10 1HB HIS 10 1.484 -0.177 1.608
69 HD2 HIS 10 2HD HIS 10 0.487 2.170 -1.064
70 HE1 HIS 10 1HE HIS 10 -2.867 -0.359 -0.697
71 HE2 HIS 10 2HE HIS 10 -2.026 1.829 -1.671
72 H CYS 11 H CYS 11 4.111 2.401 -1.260
73 HA CYS 11 HA CYS 11 4.448 2.854 -3.465
74 HB2 CYS 11 2HB CYS 11 3.582 0.569 -4.847
75 HB3 CYS 11 1HB CYS 11 5.226 0.969 -4.369
76 H LEU 12 H LEU 12 1.335 1.784 -2.447
77 HA LEU 12 HA LEU 12 -0.492 3.314 -3.030
78 HB2 LEU 12 2HB LEU 12 0.606 4.338 -4.946
79 HB3 LEU 12 1HB LEU 12 0.453 2.846 -5.863
80 HG LEU 12 HG LEU 12 -1.310 4.611 -6.312
81 HD11 LEU 12 1HD1 LEU 12 -1.460 1.842 -6.274
82 HD12 LEU 12 2HD1 LEU 12 -2.627 2.923 -7.029
83 HD13 LEU 12 3HD1 LEU 12 -2.907 2.338 -5.394
84 HD21 LEU 12 1HD2 LEU 12 -1.513 5.093 -3.780
85 HD22 LEU 12 2HD2 LEU 12 -2.544 3.663 -3.732
86 HD23 LEU 12 3HD2 LEU 12 -2.999 5.044 -4.726
87 HA PRO 13 HA PRO 13 -2.028 -0.711 -5.564
88 HB2 PRO 13 2HB PRO 13 -0.096 -2.469 -4.107
89 HB3 PRO 13 1HB PRO 13 -0.786 -2.649 -5.734
90 HG2 PRO 13 2HG PRO 13 1.711 -1.789 -5.347
91 HG3 PRO 13 1HG PRO 13 0.700 -1.193 -6.675
92 HD2 PRO 13 2HD PRO 13 1.547 0.203 -4.198
93 HD3 PRO 13 1HD PRO 13 1.067 0.870 -5.768
94 H CYS 14 H CYS 14 -1.671 -3.131 -3.674
95 HA CYS 14 HA CYS 14 -2.647 -2.496 -1.111
96 HB2 CYS 14 2HB CYS 14 -4.616 -1.671 -2.237
97 HB3 CYS 14 1HB CYS 14 -4.744 -3.148 -3.192
98 H CYS 15 H CYS 15 -1.952 -4.222 -0.003
99 HA CYS 15 HA CYS 15 -2.241 -6.881 -1.270
100 HB2 CYS 15 2HB CYS 15 -0.022 -5.667 0.329
101 HB3 CYS 15 1HB CYS 15 -0.291 -7.413 0.417
Start of MODEL 13
1 H1 CYS 1 1HT CYS 1 2.325 -5.559 -3.884
2 H2 CYS 1 2HT CYS 1 2.580 -4.422 -5.120
3 H3 CYS 1 3HT CYS 1 1.015 -4.683 -4.513
4 HA CYS 1 HA CYS 1 2.218 -2.612 -3.726
5 HB2 CYS 1 2HB CYS 1 0.981 -2.673 -1.759
6 HB3 CYS 1 1HB CYS 1 0.223 -4.001 -2.645
7 H CYS 2 H CYS 2 3.593 -1.904 -1.903
8 HA CYS 2 HA CYS 2 6.171 -2.904 -2.005
9 HB2 CYS 2 2HB CYS 2 4.760 -1.326 0.150
10 HB3 CYS 2 1HB CYS 2 6.492 -1.639 0.152
11 H THR 3 H THR 3 3.768 -3.364 0.566
12 HA THR 3 HA THR 3 5.101 -5.909 1.287
13 HB THR 3 HB THR 3 4.638 -5.501 3.598
14 HG1 THR 3 1HG THR 3 3.435 -3.070 2.771
15 HG21 THR 3 1HG2 THR 3 6.337 -4.013 3.944
16 HG22 THR 3 2HG2 THR 3 5.582 -2.771 2.947
17 HG23 THR 3 3HG2 THR 3 6.486 -4.081 2.189
18 H ALA 4 H ALA 4 2.211 -4.153 2.272
19 HA ALA 4 HA ALA 4 0.354 -5.878 0.972
20 HB1 ALA 4 1HB ALA 4 -0.573 -6.516 3.398
21 HB2 ALA 4 2HB ALA 4 1.147 -6.445 3.783
22 HB3 ALA 4 3HB ALA 4 0.567 -7.548 2.535
23 H LEU 5 H LEU 5 0.738 -3.949 3.916
24 HA LEU 5 HA LEU 5 -1.610 -2.839 4.412
25 HB2 LEU 5 2HB LEU 5 0.569 -0.852 3.894
26 HB3 LEU 5 1HB LEU 5 -0.536 -0.973 5.265
27 HG LEU 5 HG LEU 5 1.842 -2.750 4.664
28 HD11 LEU 5 1HD1 LEU 5 2.669 -0.906 5.818
29 HD12 LEU 5 2HD1 LEU 5 2.237 -1.968 7.157
30 HD13 LEU 5 3HD1 LEU 5 1.161 -0.649 6.696
31 HD21 LEU 5 1HD2 LEU 5 0.447 -4.351 5.550
32 HD22 LEU 5 2HD2 LEU 5 -0.581 -3.161 6.347
33 HD23 LEU 5 3HD2 LEU 5 0.965 -3.611 7.065
34 H CYS 6 H CYS 6 -3.248 -2.398 3.020
35 HA CYS 6 HA CYS 6 -2.829 -1.363 0.376
36 HB2 CYS 6 2HB CYS 6 -5.457 -0.929 1.694
37 HB3 CYS 6 1HB CYS 6 -5.103 -1.558 0.094
38 H SER 7 H SER 7 -1.469 0.180 2.287
39 HA SER 7 HA SER 7 -3.021 2.565 2.834
40 HB2 SER 7 2HB SER 7 -0.324 1.549 3.528
41 HB3 SER 7 1HB SER 7 -0.521 3.302 3.467
42 HG SER 7 HG SER 7 -1.077 2.610 5.513
43 H ARG 8 H ARG 8 -1.681 4.688 2.433
44 HA ARG 8 HA ARG 8 -1.321 4.869 -0.480
45 HB2 ARG 8 2HB ARG 8 -2.937 6.354 0.917
46 HB3 ARG 8 1HB ARG 8 -1.471 7.207 1.403
47 HG2 ARG 8 2HG ARG 8 -1.889 8.423 -0.487
48 HG3 ARG 8 1HG ARG 8 -1.047 7.080 -1.264
49 HD2 ARG 8 2HD ARG 8 -3.074 6.054 -1.935
50 HD3 ARG 8 1HD ARG 8 -4.034 7.023 -0.823
51 HE ARG 8 HE ARG 8 -2.876 7.951 -3.365
52 HH11 ARG 8 1HH1 ARG 8 -3.899 9.800 -4.191
53 HH12 ARG 8 2HH1 ARG 8 -5.076 10.634 -3.232
54 HH21 ARG 8 1HH2 ARG 8 -4.810 8.472 -0.537
55 HH22 ARG 8 2HH2 ARG 8 -5.591 9.883 -1.167
56 H TYR 9 H TYR 9 0.625 4.118 1.906
57 HA TYR 9 HA TYR 9 2.823 5.884 1.008
58 HB2 TYR 9 2HB TYR 9 3.878 5.300 3.240
59 HB3 TYR 9 1HB TYR 9 2.452 6.338 3.317
60 HD1 TYR 9 1HD TYR 9 3.327 2.672 3.310
61 HD2 TYR 9 2HD TYR 9 0.768 5.776 4.822
62 HE1 TYR 9 1HE TYR 9 2.202 1.029 4.783
63 HE2 TYR 9 2HE TYR 9 -0.354 4.129 6.297
64 HH TYR 9 HH TYR 9 0.546 1.694 7.351
65 H HIS 10 H HIS 10 1.641 2.684 1.263
66 HA HIS 10 HA HIS 10 4.316 1.565 0.724
67 HB2 HIS 10 2HB HIS 10 1.947 0.599 2.144
68 HB3 HIS 10 1HB HIS 10 2.583 -0.574 0.987
69 HD2 HIS 10 2HD HIS 10 5.824 0.140 1.444
70 HE1 HIS 10 1HE HIS 10 5.033 -0.903 5.456
71 HE2 HIS 10 2HE HIS 10 6.866 -0.551 3.735
72 H CYS 11 H CYS 11 4.429 2.169 -1.458
73 HA CYS 11 HA CYS 11 4.244 1.804 -3.708
74 HB2 CYS 11 2HB CYS 11 2.866 -0.656 -2.666
75 HB3 CYS 11 1HB CYS 11 3.020 -0.345 -4.392
76 H LEU 12 H LEU 12 1.163 1.123 -2.084
77 HA LEU 12 HA LEU 12 -0.584 2.872 -2.386
78 HB2 LEU 12 2HB LEU 12 0.327 3.853 -4.406
79 HB3 LEU 12 1HB LEU 12 0.014 2.378 -5.312
80 HG LEU 12 HG LEU 12 -1.697 4.230 -5.563
81 HD11 LEU 12 1HD1 LEU 12 -1.988 1.474 -5.505
82 HD12 LEU 12 2HD1 LEU 12 -3.158 2.621 -6.152
83 HD13 LEU 12 3HD1 LEU 12 -3.314 2.049 -4.493
84 HD21 LEU 12 1HD2 LEU 12 -3.181 4.740 -3.808
85 HD22 LEU 12 2HD2 LEU 12 -1.602 4.703 -3.027
86 HD23 LEU 12 3HD2 LEU 12 -2.696 3.332 -2.870
87 HA PRO 13 HA PRO 13 -2.895 -0.905 -4.131
88 HB2 PRO 13 2HB PRO 13 -1.120 -3.098 -4.635
89 HB3 PRO 13 1HB PRO 13 -2.043 -2.154 -5.819
90 HG2 PRO 13 2HG PRO 13 0.717 -2.177 -5.552
91 HG3 PRO 13 1HG PRO 13 -0.236 -0.963 -6.421
92 HD2 PRO 13 2HD PRO 13 0.987 -0.807 -3.703
93 HD3 PRO 13 1HD PRO 13 0.719 0.475 -4.898
94 H CYS 14 H CYS 14 -2.455 -3.688 -3.527
95 HA CYS 14 HA CYS 14 -1.594 -3.791 -0.740
96 HB2 CYS 14 2HB CYS 14 -4.146 -3.129 -1.027
97 HB3 CYS 14 1HB CYS 14 -4.329 -4.867 -1.275
98 H CYS 15 H CYS 15 -0.460 -5.617 -0.492
99 HA CYS 15 HA CYS 15 -0.634 -7.702 -2.497
100 HB2 CYS 15 2HB CYS 15 1.024 -7.642 0.037
101 HB3 CYS 15 1HB CYS 15 1.226 -8.743 -1.320
Start of MODEL 14
1 H1 CYS 1 1HT CYS 1 1.796 -3.915 -5.067
2 H2 CYS 1 2HT CYS 1 1.152 -4.976 -3.906
3 H3 CYS 1 3HT CYS 1 2.792 -5.077 -4.335
4 HA CYS 1 HA CYS 1 2.415 -2.470 -3.528
5 HB2 CYS 1 2HB CYS 1 1.217 -2.534 -1.512
6 HB3 CYS 1 1HB CYS 1 0.274 -3.647 -2.511
7 H CYS 2 H CYS 2 3.897 -2.041 -1.682
8 HA CYS 2 HA CYS 2 6.320 -3.367 -1.887
9 HB2 CYS 2 2HB CYS 2 5.814 -2.328 0.805
10 HB3 CYS 2 1HB CYS 2 7.029 -1.843 -0.376
11 H THR 3 H THR 3 3.694 -3.883 0.425
12 HA THR 3 HA THR 3 4.688 -6.608 0.917
13 HB THR 3 HB THR 3 4.490 -6.392 3.298
14 HG1 THR 3 1HG THR 3 4.093 -4.057 3.984
15 HG21 THR 3 1HG2 THR 3 5.926 -3.848 2.770
16 HG22 THR 3 2HG2 THR 3 6.487 -5.257 1.869
17 HG23 THR 3 3HG2 THR 3 6.467 -5.290 3.631
18 H ALA 4 H ALA 4 2.214 -4.328 2.059
19 HA ALA 4 HA ALA 4 0.011 -5.627 0.872
20 HB1 ALA 4 1HB ALA 4 0.253 -7.485 2.302
21 HB2 ALA 4 2HB ALA 4 -0.944 -6.477 3.116
22 HB3 ALA 4 3HB ALA 4 0.732 -6.475 3.667
23 H LEU 5 H LEU 5 1.195 -3.876 3.680
24 HA LEU 5 HA LEU 5 -0.837 -2.501 4.685
25 HB2 LEU 5 2HB LEU 5 1.441 -0.868 3.596
26 HB3 LEU 5 1HB LEU 5 0.589 -0.692 5.130
27 HG LEU 5 HG LEU 5 2.518 -2.898 4.351
28 HD11 LEU 5 1HD1 LEU 5 2.914 -0.386 5.524
29 HD12 LEU 5 2HD1 LEU 5 4.049 -1.736 5.530
30 HD13 LEU 5 3HD1 LEU 5 2.934 -1.515 6.878
31 HD21 LEU 5 1HD2 LEU 5 0.580 -2.627 6.651
32 HD22 LEU 5 2HD2 LEU 5 2.056 -3.577 6.814
33 HD23 LEU 5 3HD2 LEU 5 0.853 -4.019 5.602
34 H CYS 6 H CYS 6 -2.606 -2.479 3.268
35 HA CYS 6 HA CYS 6 -2.554 -1.221 0.722
36 HB2 CYS 6 2HB CYS 6 -4.950 -1.674 2.519
37 HB3 CYS 6 1HB CYS 6 -4.965 -1.456 0.769
38 H SER 7 H SER 7 -1.299 0.403 2.588
39 HA SER 7 HA SER 7 -3.140 2.587 3.207
40 HB2 SER 7 2HB SER 7 -1.497 1.974 4.905
41 HB3 SER 7 1HB SER 7 -0.186 2.235 3.753
42 HG SER 7 HG SER 7 -0.625 4.040 5.169
43 H ARG 8 H ARG 8 -2.315 4.839 2.706
44 HA ARG 8 HA ARG 8 -1.721 4.961 -0.148
45 HB2 ARG 8 2HB ARG 8 -2.399 7.143 1.842
46 HB3 ARG 8 1HB ARG 8 -2.246 7.362 0.096
47 HG2 ARG 8 2HG ARG 8 -4.162 5.362 1.322
48 HG3 ARG 8 1HG ARG 8 -4.626 7.032 0.978
49 HD2 ARG 8 2HD ARG 8 -3.453 6.300 -1.387
50 HD3 ARG 8 1HD ARG 8 -4.181 4.780 -0.878
51 HE ARG 8 HE ARG 8 -6.266 6.350 -0.553
52 HH11 ARG 8 1HH1 ARG 8 -7.658 7.215 -2.128
53 HH12 ARG 8 2HH1 ARG 8 -7.059 7.538 -3.722
54 HH21 ARG 8 1HH2 ARG 8 -3.844 6.440 -3.024
55 HH22 ARG 8 2HH2 ARG 8 -4.901 7.096 -4.229
56 H TYR 9 H TYR 9 0.420 4.019 1.429
57 HA TYR 9 HA TYR 9 2.389 6.088 0.822
58 HB2 TYR 9 2HB TYR 9 3.161 6.454 2.925
59 HB3 TYR 9 1HB TYR 9 1.513 6.008 3.367
60 HD1 TYR 9 1HD TYR 9 5.011 4.825 3.143
61 HD2 TYR 9 2HD TYR 9 1.024 3.898 4.438
62 HE1 TYR 9 1HE TYR 9 5.882 2.916 4.462
63 HE2 TYR 9 2HE TYR 9 1.894 1.981 5.748
64 HH TYR 9 HH TYR 9 4.775 0.611 5.309
65 H HIS 10 H HIS 10 1.595 2.741 1.497
66 HA HIS 10 HA HIS 10 4.330 1.915 0.810
67 HB2 HIS 10 2HB HIS 10 2.248 0.785 2.442
68 HB3 HIS 10 1HB HIS 10 2.664 -0.352 1.163
69 HD2 HIS 10 2HD HIS 10 5.586 1.872 2.533
70 HE1 HIS 10 1HE HIS 10 6.097 -2.023 4.070
71 HE2 HIS 10 2HE HIS 10 7.167 0.267 3.843
72 H CYS 11 H CYS 11 4.259 2.551 -1.390
73 HA CYS 11 HA CYS 11 4.036 2.114 -3.626
74 HB2 CYS 11 2HB CYS 11 2.882 -0.522 -2.707
75 HB3 CYS 11 1HB CYS 11 3.565 -0.166 -4.298
76 H LEU 12 H LEU 12 1.174 0.558 -2.161
77 HA LEU 12 HA LEU 12 -0.945 1.806 -2.145
78 HB2 LEU 12 2HB LEU 12 -0.232 3.558 -3.685
79 HB3 LEU 12 1HB LEU 12 -0.229 2.410 -5.022
80 HG LEU 12 HG LEU 12 -2.639 1.997 -4.662
81 HD11 LEU 12 1HD1 LEU 12 -3.193 2.426 -2.466
82 HD12 LEU 12 2HD1 LEU 12 -3.652 3.977 -3.168
83 HD13 LEU 12 3HD1 LEU 12 -2.099 3.805 -2.350
84 HD21 LEU 12 1HD2 LEU 12 -3.412 4.124 -5.557
85 HD22 LEU 12 2HD2 LEU 12 -1.812 3.789 -6.217
86 HD23 LEU 12 3HD2 LEU 12 -1.999 4.953 -4.904
87 HA PRO 13 HA PRO 13 -1.989 -1.462 -5.815
88 HB2 PRO 13 2HB PRO 13 0.269 -3.173 -4.839
89 HB3 PRO 13 1HB PRO 13 -0.468 -3.100 -6.453
90 HG2 PRO 13 2HG PRO 13 1.847 -1.902 -5.946
91 HG3 PRO 13 1HG PRO 13 0.639 -1.163 -7.016
92 HD2 PRO 13 2HD PRO 13 1.434 -0.375 -4.269
93 HD3 PRO 13 1HD PRO 13 0.743 0.611 -5.568
94 H CYS 14 H CYS 14 -0.827 -1.895 -2.510
95 HA CYS 14 HA CYS 14 -1.724 -3.010 -0.698
96 HB2 CYS 14 2HB CYS 14 -3.732 -1.797 -0.986
97 HB3 CYS 14 1HB CYS 14 -4.130 -2.647 -2.476
98 H CYS 15 H CYS 15 -0.777 -5.034 -0.532
99 HA CYS 15 HA CYS 15 -1.500 -7.078 -2.481
100 HB2 CYS 15 2HB CYS 15 0.304 -7.432 -0.074
101 HB3 CYS 15 1HB CYS 15 0.171 -8.483 -1.475
Start of MODEL 15
1 H1 CYS 1 1HT CYS 1 2.184 -3.533 -5.859
2 H2 CYS 1 2HT CYS 1 3.110 -4.624 -4.942
3 H3 CYS 1 3HT CYS 1 3.870 -3.360 -5.786
4 HA CYS 1 HA CYS 1 2.661 -1.751 -4.385
5 HB2 CYS 1 2HB CYS 1 2.111 -3.579 -2.222
6 HB3 CYS 1 1HB CYS 1 0.995 -2.485 -3.048
7 H CYS 2 H CYS 2 3.230 -2.482 -1.547
8 HA CYS 2 HA CYS 2 6.166 -2.537 -1.790
9 HB2 CYS 2 2HB CYS 2 4.284 -1.083 0.009
10 HB3 CYS 2 1HB CYS 2 5.893 -1.478 0.598
11 H THR 3 H THR 3 3.515 -3.538 0.379
12 HA THR 3 HA THR 3 4.993 -5.998 0.972
13 HB THR 3 HB THR 3 4.817 -5.703 3.374
14 HG1 THR 3 1HG THR 3 3.734 -4.096 4.226
15 HG21 THR 3 1HG2 THR 3 6.081 -3.294 2.039
16 HG22 THR 3 2HG2 THR 3 6.847 -4.869 2.241
17 HG23 THR 3 3HG2 THR 3 6.459 -3.890 3.655
18 H ALA 4 H ALA 4 2.490 -4.581 2.939
19 HA ALA 4 HA ALA 4 0.444 -6.349 1.797
20 HB1 ALA 4 1HB ALA 4 -0.163 -7.146 4.054
21 HB2 ALA 4 2HB ALA 4 1.224 -6.286 4.720
22 HB3 ALA 4 3HB ALA 4 1.473 -7.633 3.612
23 H LEU 5 H LEU 5 1.341 -3.771 4.028
24 HA LEU 5 HA LEU 5 -1.144 -2.827 4.789
25 HB2 LEU 5 2HB LEU 5 1.131 -0.990 4.044
26 HB3 LEU 5 1HB LEU 5 -0.085 -0.769 5.303
27 HG LEU 5 HG LEU 5 2.193 -2.758 5.264
28 HD11 LEU 5 1HD1 LEU 5 1.638 -0.196 6.549
29 HD12 LEU 5 2HD1 LEU 5 3.159 -1.082 6.430
30 HD13 LEU 5 3HD1 LEU 5 2.020 -1.456 7.724
31 HD21 LEU 5 1HD2 LEU 5 0.417 -4.059 6.110
32 HD22 LEU 5 2HD2 LEU 5 -0.337 -2.675 6.903
33 HD23 LEU 5 3HD2 LEU 5 1.141 -3.373 7.566
34 H CYS 6 H CYS 6 -2.755 -2.821 3.259
35 HA CYS 6 HA CYS 6 -2.439 -1.844 0.601
36 HB2 CYS 6 2HB CYS 6 -4.914 -2.251 2.305
37 HB3 CYS 6 1HB CYS 6 -4.957 -1.834 0.592
38 H SER 7 H SER 7 -1.231 0.029 2.034
39 HA SER 7 HA SER 7 -3.107 2.214 2.560
40 HB2 SER 7 2HB SER 7 -0.448 1.487 3.468
41 HB3 SER 7 1HB SER 7 -0.519 3.171 2.941
42 HG SER 7 HG SER 7 -2.527 3.230 4.247
43 H ARG 8 H ARG 8 -1.707 4.412 2.003
44 HA ARG 8 HA ARG 8 -1.545 4.384 -0.941
45 HB2 ARG 8 2HB ARG 8 -2.107 6.616 1.028
46 HB3 ARG 8 1HB ARG 8 -1.841 6.878 -0.699
47 HG2 ARG 8 2HG ARG 8 -3.791 4.756 -0.121
48 HG3 ARG 8 1HG ARG 8 -4.287 6.350 0.461
49 HD2 ARG 8 2HD ARG 8 -3.906 7.303 -1.765
50 HD3 ARG 8 1HD ARG 8 -3.337 5.745 -2.353
51 HE ARG 8 HE ARG 8 -5.575 4.917 -2.199
52 HH11 ARG 8 1HH1 ARG 8 -7.781 5.401 -2.439
53 HH12 ARG 8 2HH1 ARG 8 -8.341 7.017 -2.170
54 HH21 ARG 8 1HH2 ARG 8 -5.206 8.267 -1.389
55 HH22 ARG 8 2HH2 ARG 8 -6.887 8.637 -1.579
56 H TYR 9 H TYR 9 0.409 4.022 1.575
57 HA TYR 9 HA TYR 9 2.569 5.695 0.460
58 HB2 TYR 9 2HB TYR 9 3.698 5.151 2.718
59 HB3 TYR 9 1HB TYR 9 2.390 6.334 2.715
60 HD1 TYR 9 1HD TYR 9 3.207 2.763 3.398
61 HD2 TYR 9 2HD TYR 9 0.376 5.951 3.925
62 HE1 TYR 9 1HE TYR 9 1.964 1.386 5.043
63 HE2 TYR 9 2HE TYR 9 -0.869 4.573 5.569
64 HH TYR 9 HH TYR 9 -0.229 1.216 6.012
65 H HIS 10 H HIS 10 1.826 2.514 1.852
66 HA HIS 10 HA HIS 10 4.271 1.279 1.113
67 HB2 HIS 10 2HB HIS 10 1.637 0.399 2.097
68 HB3 HIS 10 1HB HIS 10 2.395 -0.752 1.000
69 HD2 HIS 10 2HD HIS 10 4.841 1.300 3.228
70 HE1 HIS 10 1HE HIS 10 4.558 -2.562 4.904
71 HE2 HIS 10 2HE HIS 10 5.813 -0.357 4.992
72 H CYS 11 H CYS 11 4.465 2.371 -0.972
73 HA CYS 11 HA CYS 11 4.543 2.280 -3.254
74 HB2 CYS 11 2HB CYS 11 3.149 -0.358 -2.790
75 HB3 CYS 11 1HB CYS 11 3.556 0.244 -4.393
76 H LEU 12 H LEU 12 1.373 0.926 -2.360
77 HA LEU 12 HA LEU 12 -0.336 2.908 -2.442
78 HB2 LEU 12 2HB LEU 12 0.107 4.111 -4.302
79 HB3 LEU 12 1HB LEU 12 0.796 2.745 -5.165
80 HG LEU 12 HG LEU 12 -1.383 1.891 -5.719
81 HD11 LEU 12 1HD1 LEU 12 -3.094 2.141 -4.298
82 HD12 LEU 12 2HD1 LEU 12 -3.195 3.836 -4.767
83 HD13 LEU 12 3HD1 LEU 12 -2.205 3.362 -3.391
84 HD21 LEU 12 1HD2 LEU 12 -2.378 3.835 -6.922
85 HD22 LEU 12 2HD2 LEU 12 -0.634 3.710 -7.148
86 HD23 LEU 12 3HD2 LEU 12 -1.294 4.899 -6.025
87 HA PRO 13 HA PRO 13 -2.658 -0.662 -4.870
88 HB2 PRO 13 2HB PRO 13 -0.668 -2.811 -4.411
89 HB3 PRO 13 1HB PRO 13 -1.697 -2.505 -5.821
90 HG2 PRO 13 2HG PRO 13 0.964 -1.985 -5.739
91 HG3 PRO 13 1HG PRO 13 -0.188 -1.148 -6.792
92 HD2 PRO 13 2HD PRO 13 1.244 -0.116 -4.432
93 HD3 PRO 13 1HD PRO 13 0.417 0.763 -5.729
94 H CYS 14 H CYS 14 -3.242 -2.994 -3.855
95 HA CYS 14 HA CYS 14 -3.688 -2.448 -1.042
96 HB2 CYS 14 2HB CYS 14 -5.474 -3.321 -2.591
97 HB3 CYS 14 1HB CYS 14 -4.607 -4.861 -2.600
98 H CYS 15 H CYS 15 -1.187 -2.686 -0.885
99 HA CYS 15 HA CYS 15 -0.655 -4.981 0.628
100 HB2 CYS 15 2HB CYS 15 1.328 -5.398 -1.331
101 HB3 CYS 15 1HB CYS 15 0.027 -6.490 -0.860
Start of MODEL 16
1 H1 CYS 1 1HT CYS 1 0.814 -1.710 -3.567
2 H2 CYS 1 2HT CYS 1 1.391 -0.341 -2.743
3 H3 CYS 1 3HT CYS 1 -0.207 -0.870 -2.505
4 HA CYS 1 HA CYS 1 1.413 -1.428 -0.689
5 HB2 CYS 1 2HB CYS 1 0.382 -3.526 -0.281
6 HB3 CYS 1 1HB CYS 1 -0.797 -2.579 -1.175
7 H CYS 2 H CYS 2 3.418 -2.060 -0.314
8 HA CYS 2 HA CYS 2 4.838 -3.593 -2.387
9 HB2 CYS 2 2HB CYS 2 5.726 -1.574 -0.333
10 HB3 CYS 2 1HB CYS 2 6.866 -2.630 -1.158
11 H THR 3 H THR 3 3.643 -3.632 0.807
12 HA THR 3 HA THR 3 5.138 -6.122 1.396
13 HB THR 3 HB THR 3 5.150 -5.529 3.734
14 HG1 THR 3 1HG THR 3 3.659 -4.257 4.442
15 HG21 THR 3 1HG2 THR 3 5.999 -3.298 1.886
16 HG22 THR 3 2HG2 THR 3 7.004 -4.551 2.616
17 HG23 THR 3 3HG2 THR 3 6.335 -3.259 3.616
18 H ALA 4 H ALA 4 2.572 -4.516 3.147
19 HA ALA 4 HA ALA 4 0.602 -6.528 2.338
20 HB1 ALA 4 1HB ALA 4 0.565 -7.542 4.334
21 HB2 ALA 4 2HB ALA 4 0.309 -5.994 5.139
22 HB3 ALA 4 3HB ALA 4 1.948 -6.569 4.832
23 H LEU 5 H LEU 5 1.315 -3.646 4.259
24 HA LEU 5 HA LEU 5 -1.181 -2.569 4.618
25 HB2 LEU 5 2HB LEU 5 0.428 -0.367 3.934
26 HB3 LEU 5 1HB LEU 5 0.131 -1.009 5.549
27 HG LEU 5 HG LEU 5 2.236 -2.213 3.752
28 HD11 LEU 5 1HD1 LEU 5 3.329 -0.224 3.889
29 HD12 LEU 5 2HD1 LEU 5 3.604 -0.664 5.575
30 HD13 LEU 5 3HD1 LEU 5 2.249 0.380 5.146
31 HD21 LEU 5 1HD2 LEU 5 1.196 -3.120 6.061
32 HD22 LEU 5 2HD2 LEU 5 2.407 -2.023 6.725
33 HD23 LEU 5 3HD2 LEU 5 2.899 -3.336 5.657
34 H CYS 6 H CYS 6 -2.775 -2.138 3.262
35 HA CYS 6 HA CYS 6 -2.197 -1.681 0.436
36 HB2 CYS 6 2HB CYS 6 -4.818 -1.981 1.930
37 HB3 CYS 6 1HB CYS 6 -4.679 -1.767 0.186
38 H SER 7 H SER 7 -1.584 0.246 2.645
39 HA SER 7 HA SER 7 -3.384 2.474 2.101
40 HB2 SER 7 2HB SER 7 -2.534 1.989 4.408
41 HB3 SER 7 1HB SER 7 -0.917 2.415 3.842
42 HG SER 7 HG SER 7 -1.678 4.304 4.553
43 H ARG 8 H ARG 8 -2.535 4.581 1.530
44 HA ARG 8 HA ARG 8 -0.925 4.481 -0.807
45 HB2 ARG 8 2HB ARG 8 -2.627 6.197 -0.549
46 HB3 ARG 8 1HB ARG 8 -1.825 6.820 0.897
47 HG2 ARG 8 2HG ARG 8 -0.104 7.796 -0.310
48 HG3 ARG 8 1HG ARG 8 -0.230 6.627 -1.631
49 HD2 ARG 8 2HD ARG 8 -2.340 7.656 -2.357
50 HD3 ARG 8 1HD ARG 8 -2.252 8.806 -1.027
51 HE ARG 8 HE ARG 8 0.081 8.847 -2.732
52 HH11 ARG 8 1HH1 ARG 8 0.363 10.739 -3.959
53 HH12 ARG 8 2HH1 ARG 8 -0.951 11.853 -4.138
54 HH21 ARG 8 1HH2 ARG 8 -3.148 9.979 -2.214
55 HH22 ARG 8 2HH2 ARG 8 -2.939 11.424 -3.148
56 H TYR 9 H TYR 9 0.121 3.750 2.047
57 HA TYR 9 HA TYR 9 2.441 5.522 2.219
58 HB2 TYR 9 2HB TYR 9 1.942 3.080 3.913
59 HB3 TYR 9 1HB TYR 9 2.895 4.511 4.305
60 HD1 TYR 9 1HD TYR 9 0.749 3.397 6.089
61 HD2 TYR 9 2HD TYR 9 0.559 6.313 2.937
62 HE1 TYR 9 1HE TYR 9 -1.238 4.429 7.158
63 HE2 TYR 9 2HE TYR 9 -1.425 7.340 4.006
64 HH TYR 9 HH TYR 9 -3.327 6.334 5.693
65 H HIS 10 H HIS 10 1.564 2.476 0.851
66 HA HIS 10 HA HIS 10 4.426 1.993 0.280
67 HB2 HIS 10 2HB HIS 10 2.595 0.293 1.718
68 HB3 HIS 10 1HB HIS 10 3.128 -0.506 0.240
69 HD2 HIS 10 2HD HIS 10 4.455 -1.880 2.755
70 HE1 HIS 10 1HE HIS 10 7.826 0.588 2.150
71 HE2 HIS 10 2HE HIS 10 6.981 -1.510 3.303
72 H CYS 11 H CYS 11 4.434 2.759 -1.754
73 HA CYS 11 HA CYS 11 4.147 2.880 -3.991
74 HB2 CYS 11 2HB CYS 11 3.290 0.490 -4.948
75 HB3 CYS 11 1HB CYS 11 4.952 0.861 -4.536
76 H LEU 12 H LEU 12 1.350 1.607 -2.275
77 HA LEU 12 HA LEU 12 -0.678 2.907 -2.434
78 HB2 LEU 12 2HB LEU 12 0.051 4.224 -4.367
79 HB3 LEU 12 1HB LEU 12 -0.220 2.843 -5.417
80 HG LEU 12 HG LEU 12 -2.097 4.554 -5.310
81 HD11 LEU 12 1HD1 LEU 12 -3.459 2.896 -6.004
82 HD12 LEU 12 2HD1 LEU 12 -3.401 2.087 -4.439
83 HD13 LEU 12 3HD1 LEU 12 -2.127 1.805 -5.627
84 HD21 LEU 12 1HD2 LEU 12 -3.513 4.650 -3.423
85 HD22 LEU 12 2HD2 LEU 12 -1.889 4.704 -2.743
86 HD23 LEU 12 3HD2 LEU 12 -2.809 3.199 -2.711
87 HA PRO 13 HA PRO 13 -2.415 -0.890 -5.118
88 HB2 PRO 13 2HB PRO 13 -0.201 -2.738 -4.409
89 HB3 PRO 13 1HB PRO 13 -1.127 -2.612 -5.913
90 HG2 PRO 13 2HG PRO 13 1.418 -1.719 -5.613
91 HG3 PRO 13 1HG PRO 13 0.264 -1.068 -6.788
92 HD2 PRO 13 2HD PRO 13 1.315 0.182 -4.343
93 HD3 PRO 13 1HD PRO 13 0.502 0.925 -5.729
94 H CYS 14 H CYS 14 -2.632 -3.374 -4.054
95 HA CYS 14 HA CYS 14 -2.875 -2.980 -1.138
96 HB2 CYS 14 2HB CYS 14 -5.089 -2.742 -2.188
97 HB3 CYS 14 1HB CYS 14 -4.901 -4.338 -2.920
98 H CYS 15 H CYS 15 -1.686 -4.471 -0.064
99 HA CYS 15 HA CYS 15 -1.261 -7.080 -1.394
100 HB2 CYS 15 2HB CYS 15 0.488 -5.505 0.492
101 HB3 CYS 15 1HB CYS 15 0.759 -7.217 0.162
Start of MODEL 17
1 H1 CYS 1 1HT CYS 1 0.966 -2.200 -3.937
2 H2 CYS 1 2HT CYS 1 1.365 -3.843 -4.088
3 H3 CYS 1 3HT CYS 1 2.586 -2.664 -4.116
4 HA CYS 1 HA CYS 1 1.632 -2.060 -1.778
5 HB2 CYS 1 2HB CYS 1 1.254 -4.705 -1.005
6 HB3 CYS 1 1HB CYS 1 -0.004 -3.478 -1.154
7 H CYS 2 H CYS 2 3.738 -1.653 -1.337
8 HA CYS 2 HA CYS 2 5.991 -3.081 -1.947
9 HB2 CYS 2 2HB CYS 2 5.700 -1.794 0.756
10 HB3 CYS 2 1HB CYS 2 7.107 -1.834 -0.303
11 H THR 3 H THR 3 3.607 -3.785 0.491
12 HA THR 3 HA THR 3 4.915 -6.359 1.025
13 HB THR 3 HB THR 3 4.895 -6.115 3.374
14 HG1 THR 3 1HG THR 3 3.590 -4.773 4.368
15 HG21 THR 3 1HG2 THR 3 6.685 -4.814 2.154
16 HG22 THR 3 2HG2 THR 3 6.327 -4.218 3.774
17 HG23 THR 3 3HG2 THR 3 5.689 -3.374 2.362
18 H ALA 4 H ALA 4 2.272 -4.419 2.358
19 HA ALA 4 HA ALA 4 0.188 -5.991 1.195
20 HB1 ALA 4 1HB ALA 4 0.534 -7.682 2.759
21 HB2 ALA 4 2HB ALA 4 -0.636 -6.660 3.594
22 HB3 ALA 4 3HB ALA 4 1.076 -6.554 4.002
23 H LEU 5 H LEU 5 1.209 -3.890 3.827
24 HA LEU 5 HA LEU 5 -1.061 -2.641 4.626
25 HB2 LEU 5 2HB LEU 5 1.267 -0.912 3.868
26 HB3 LEU 5 1HB LEU 5 0.252 -0.849 5.309
27 HG LEU 5 HG LEU 5 2.435 -2.834 4.652
28 HD11 LEU 5 1HD1 LEU 5 1.985 -1.350 7.234
29 HD12 LEU 5 2HD1 LEU 5 2.768 -0.549 5.873
30 HD13 LEU 5 3HD1 LEU 5 3.488 -1.996 6.577
31 HD21 LEU 5 1HD2 LEU 5 1.600 -3.728 7.019
32 HD22 LEU 5 2HD2 LEU 5 0.884 -4.328 5.524
33 HD23 LEU 5 3HD2 LEU 5 0.058 -3.082 6.460
34 H CYS 6 H CYS 6 -2.632 -2.603 3.016
35 HA CYS 6 HA CYS 6 -2.266 -1.338 0.491
36 HB2 CYS 6 2HB CYS 6 -4.904 -1.723 1.898
37 HB3 CYS 6 1HB CYS 6 -4.580 -1.716 0.165
38 H SER 7 H SER 7 -1.240 0.392 2.357
39 HA SER 7 HA SER 7 -3.218 2.466 2.890
40 HB2 SER 7 2HB SER 7 -0.793 3.543 3.564
41 HB3 SER 7 1HB SER 7 -1.826 2.624 4.662
42 HG SER 7 HG SER 7 0.587 1.991 3.622
43 H ARG 8 H ARG 8 -1.836 4.768 2.558
44 HA ARG 8 HA ARG 8 -1.627 4.930 -0.373
45 HB2 ARG 8 2HB ARG 8 -2.161 7.013 1.753
46 HB3 ARG 8 1HB ARG 8 -1.867 7.413 0.056
47 HG2 ARG 8 2HG ARG 8 -3.945 5.356 0.755
48 HG3 ARG 8 1HG ARG 8 -4.335 7.073 0.892
49 HD2 ARG 8 2HD ARG 8 -4.298 7.397 -1.367
50 HD3 ARG 8 1HD ARG 8 -2.960 6.277 -1.607
51 HE ARG 8 HE ARG 8 -4.983 4.604 -0.978
52 HH11 ARG 8 1HH1 ARG 8 -6.497 3.782 -2.455
53 HH12 ARG 8 2HH1 ARG 8 -6.880 4.678 -3.887
54 HH21 ARG 8 1HH2 ARG 8 -4.715 7.285 -3.153
55 HH22 ARG 8 2HH2 ARG 8 -5.871 6.661 -4.281
56 H TYR 9 H TYR 9 0.507 4.083 1.661
57 HA TYR 9 HA TYR 9 2.565 5.946 0.662
58 HB2 TYR 9 2HB TYR 9 3.755 5.805 2.784
59 HB3 TYR 9 1HB TYR 9 2.122 6.429 3.042
60 HD1 TYR 9 1HD TYR 9 0.572 5.278 4.423
61 HD2 TYR 9 2HD TYR 9 4.222 3.357 3.227
62 HE1 TYR 9 1HE TYR 9 0.126 3.436 6.023
63 HE2 TYR 9 2HE TYR 9 3.777 1.515 4.825
64 HH TYR 9 HH TYR 9 1.270 0.607 5.932
65 H HIS 10 H HIS 10 1.642 2.674 1.514
66 HA HIS 10 HA HIS 10 4.301 1.661 0.849
67 HB2 HIS 10 2HB HIS 10 1.976 0.621 2.258
68 HB3 HIS 10 1HB HIS 10 2.567 -0.523 1.051
69 HD2 HIS 10 2HD HIS 10 5.846 0.309 1.497
70 HE1 HIS 10 1HE HIS 10 5.126 -1.132 5.396
71 HE2 HIS 10 2HE HIS 10 6.929 -0.541 3.711
72 H CYS 11 H CYS 11 4.415 2.331 -1.330
73 HA CYS 11 HA CYS 11 4.299 1.977 -3.587
74 HB2 CYS 11 2HB CYS 11 2.890 -0.557 -2.732
75 HB3 CYS 11 1HB CYS 11 3.382 -0.199 -4.387
76 H LEU 12 H LEU 12 1.218 0.987 -2.113
77 HA LEU 12 HA LEU 12 -0.624 2.631 -2.283
78 HB2 LEU 12 2HB LEU 12 0.296 3.937 -4.092
79 HB3 LEU 12 1HB LEU 12 0.120 2.595 -5.211
80 HG LEU 12 HG LEU 12 -1.700 4.340 -5.302
81 HD11 LEU 12 1HD1 LEU 12 -3.054 2.733 -6.136
82 HD12 LEU 12 2HD1 LEU 12 -3.186 1.921 -4.580
83 HD13 LEU 12 3HD1 LEU 12 -1.807 1.596 -5.631
84 HD21 LEU 12 1HD2 LEU 12 -3.269 4.545 -3.562
85 HD22 LEU 12 2HD2 LEU 12 -1.724 4.477 -2.715
86 HD23 LEU 12 3HD2 LEU 12 -2.751 3.047 -2.794
87 HA PRO 13 HA PRO 13 -2.547 -0.935 -5.085
88 HB2 PRO 13 2HB PRO 13 -0.457 -2.961 -4.463
89 HB3 PRO 13 1HB PRO 13 -1.395 -2.729 -5.947
90 HG2 PRO 13 2HG PRO 13 1.168 -2.018 -5.778
91 HG3 PRO 13 1HG PRO 13 -0.005 -1.087 -6.727
92 HD2 PRO 13 2HD PRO 13 1.229 -0.429 -4.093
93 HD3 PRO 13 1HD PRO 13 0.687 0.647 -5.393
94 H CYS 14 H CYS 14 -1.789 -3.691 -3.735
95 HA CYS 14 HA CYS 14 -2.341 -3.414 -0.959
96 HB2 CYS 14 2HB CYS 14 -4.517 -2.636 -1.799
97 HB3 CYS 14 1HB CYS 14 -4.697 -4.126 -2.724
98 H CYS 15 H CYS 15 -0.955 -5.110 -0.506
99 HA CYS 15 HA CYS 15 -1.590 -7.709 -1.780
100 HB2 CYS 15 2HB CYS 15 1.034 -6.799 -0.564
101 HB3 CYS 15 1HB CYS 15 0.717 -8.405 -1.206
Start of MODEL 18
1 H1 CYS 1 1HT CYS 1 1.690 -3.763 -5.440
2 H2 CYS 1 2HT CYS 1 1.748 -5.076 -4.363
3 H3 CYS 1 3HT CYS 1 3.188 -4.402 -4.964
4 HA CYS 1 HA CYS 1 2.133 -2.244 -3.870
5 HB2 CYS 1 2HB CYS 1 1.492 -4.016 -1.635
6 HB3 CYS 1 1HB CYS 1 0.550 -2.678 -2.312
7 H CYS 2 H CYS 2 3.162 -1.860 -1.564
8 HA CYS 2 HA CYS 2 5.921 -2.486 -1.775
9 HB2 CYS 2 2HB CYS 2 4.215 -1.236 0.361
10 HB3 CYS 2 1HB CYS 2 5.923 -1.548 0.629
11 H THR 3 H THR 3 3.434 -3.554 0.528
12 HA THR 3 HA THR 3 4.856 -6.098 0.859
13 HB THR 3 HB THR 3 5.044 -5.947 3.210
14 HG1 THR 3 1HG THR 3 4.109 -4.122 4.310
15 HG21 THR 3 1HG2 THR 3 6.612 -4.466 1.802
16 HG22 THR 3 2HG2 THR 3 6.515 -4.119 3.529
17 HG23 THR 3 3HG2 THR 3 5.641 -3.109 2.376
18 H ALA 4 H ALA 4 2.359 -4.440 2.708
19 HA ALA 4 HA ALA 4 0.218 -6.065 1.621
20 HB1 ALA 4 1HB ALA 4 0.320 -6.242 4.557
21 HB2 ALA 4 2HB ALA 4 1.573 -7.162 3.726
22 HB3 ALA 4 3HB ALA 4 -0.127 -7.467 3.370
23 H LEU 5 H LEU 5 1.319 -3.878 4.154
24 HA LEU 5 HA LEU 5 -0.942 -2.710 5.083
25 HB2 LEU 5 2HB LEU 5 1.495 -1.155 4.174
26 HB3 LEU 5 1HB LEU 5 0.324 -0.658 5.397
27 HG LEU 5 HG LEU 5 2.232 -3.006 5.542
28 HD11 LEU 5 1HD1 LEU 5 3.487 -1.261 6.341
29 HD12 LEU 5 2HD1 LEU 5 2.566 -1.576 7.813
30 HD13 LEU 5 3HD1 LEU 5 2.069 -0.283 6.721
31 HD21 LEU 5 1HD2 LEU 5 -0.203 -2.277 7.154
32 HD22 LEU 5 2HD2 LEU 5 1.142 -3.120 7.921
33 HD23 LEU 5 3HD2 LEU 5 0.297 -3.861 6.562
34 H CYS 6 H CYS 6 -2.604 -2.782 3.489
35 HA CYS 6 HA CYS 6 -2.404 -1.417 0.994
36 HB2 CYS 6 2HB CYS 6 -4.756 -2.397 2.616
37 HB3 CYS 6 1HB CYS 6 -4.946 -1.588 1.061
38 H SER 7 H SER 7 -1.324 0.373 2.477
39 HA SER 7 HA SER 7 -3.321 2.265 3.483
40 HB2 SER 7 2HB SER 7 -0.922 1.637 4.479
41 HB3 SER 7 1HB SER 7 -0.440 2.983 3.447
42 HG SER 7 HG SER 7 -1.154 3.484 5.666
43 H ARG 8 H ARG 8 -1.088 4.317 2.740
44 HA ARG 8 HA ARG 8 -1.891 4.734 -0.066
45 HB2 ARG 8 2HB ARG 8 -3.129 6.212 1.642
46 HB3 ARG 8 1HB ARG 8 -1.573 7.006 1.894
47 HG2 ARG 8 2HG ARG 8 -2.523 8.322 0.207
48 HG3 ARG 8 1HG ARG 8 -1.542 7.186 -0.725
49 HD2 ARG 8 2HD ARG 8 -3.820 7.409 -1.670
50 HD3 ARG 8 1HD ARG 8 -3.510 5.770 -1.106
51 HE ARG 8 HE ARG 8 -5.045 6.117 0.647
52 HH11 ARG 8 1HH1 ARG 8 -6.826 7.250 1.489
53 HH12 ARG 8 2HH1 ARG 8 -7.151 8.863 0.951
54 HH21 ARG 8 1HH2 ARG 8 -4.452 8.970 -1.217
55 HH22 ARG 8 2HH2 ARG 8 -5.809 9.836 -0.580
56 H TYR 9 H TYR 9 0.506 3.877 1.764
57 HA TYR 9 HA TYR 9 2.527 5.488 0.331
58 HB2 TYR 9 2HB TYR 9 3.774 5.787 2.228
59 HB3 TYR 9 1HB TYR 9 2.189 5.652 2.996
60 HD1 TYR 9 1HD TYR 9 1.719 3.885 4.507
61 HD2 TYR 9 2HD TYR 9 5.174 3.657 1.962
62 HE1 TYR 9 1HE TYR 9 2.487 1.868 5.728
63 HE2 TYR 9 2HE TYR 9 5.941 1.642 3.184
64 HH TYR 9 HH TYR 9 4.211 0.458 6.045
65 H HIS 10 H HIS 10 1.448 2.387 1.511
66 HA HIS 10 HA HIS 10 3.720 0.797 0.964
67 HB2 HIS 10 2HB HIS 10 2.078 -1.056 0.822
68 HB3 HIS 10 1HB HIS 10 1.736 -0.001 2.207
69 HD2 HIS 10 2HD HIS 10 -0.225 2.094 1.500
70 HE1 HIS 10 1HE HIS 10 -1.983 -0.206 -1.554
71 HE2 HIS 10 2HE HIS 10 -2.268 1.848 -0.107
72 H CYS 11 H CYS 11 4.101 2.261 -1.159
73 HA CYS 11 HA CYS 11 4.356 2.209 -3.442
74 HB2 CYS 11 2HB CYS 11 3.204 -0.565 -3.095
75 HB3 CYS 11 1HB CYS 11 3.862 0.048 -4.606
76 H LEU 12 H LEU 12 1.251 0.989 -2.275
77 HA LEU 12 HA LEU 12 -0.726 2.318 -2.606
78 HB2 LEU 12 2HB LEU 12 0.358 3.860 -4.208
79 HB3 LEU 12 1HB LEU 12 0.202 2.639 -5.465
80 HG LEU 12 HG LEU 12 -2.220 2.650 -5.254
81 HD11 LEU 12 1HD1 LEU 12 -1.591 4.367 -2.876
82 HD12 LEU 12 2HD1 LEU 12 -2.750 3.044 -3.023
83 HD13 LEU 12 3HD1 LEU 12 -3.112 4.616 -3.735
84 HD21 LEU 12 1HD2 LEU 12 -0.823 5.300 -5.562
85 HD22 LEU 12 2HD2 LEU 12 -2.575 5.190 -5.725
86 HD23 LEU 12 3HD2 LEU 12 -1.529 4.272 -6.810
87 HA PRO 13 HA PRO 13 -1.848 -1.081 -6.083
88 HB2 PRO 13 2HB PRO 13 0.253 -2.946 -5.057
89 HB3 PRO 13 1HB PRO 13 -0.423 -2.799 -6.689
90 HG2 PRO 13 2HG PRO 13 1.978 -1.821 -6.062
91 HG3 PRO 13 1HG PRO 13 0.903 -1.014 -7.220
92 HD2 PRO 13 2HD PRO 13 1.619 -0.205 -4.459
93 HD3 PRO 13 1HD PRO 13 1.083 0.787 -5.823
94 H CYS 14 H CYS 14 -0.773 -1.402 -2.755
95 HA CYS 14 HA CYS 14 -1.777 -2.272 -0.885
96 HB2 CYS 14 2HB CYS 14 -3.827 -1.274 -1.148
97 HB3 CYS 14 1HB CYS 14 -4.074 -1.959 -2.756
98 H CYS 15 H CYS 15 -1.170 -4.169 -0.136
99 HA CYS 15 HA CYS 15 -1.901 -6.590 -1.671
100 HB2 CYS 15 2HB CYS 15 0.708 -5.784 -0.437
101 HB3 CYS 15 1HB CYS 15 0.281 -7.499 -0.507
Start of MODEL 19
1 H1 CYS 1 1HT CYS 1 2.539 -3.283 -5.076
2 H2 CYS 1 2HT CYS 1 0.953 -3.854 -4.861
3 H3 CYS 1 3HT CYS 1 2.275 -4.883 -4.582
4 HA CYS 1 HA CYS 1 1.960 -2.397 -3.037
5 HB2 CYS 1 2HB CYS 1 1.039 -4.478 -1.434
6 HB3 CYS 1 1HB CYS 1 0.045 -3.215 -2.165
7 H CYS 2 H CYS 2 3.807 -2.143 -1.960
8 HA CYS 2 HA CYS 2 6.030 -3.696 -2.031
9 HB2 CYS 2 2HB CYS 2 5.776 -2.572 0.627
10 HB3 CYS 2 1HB CYS 2 6.857 -2.106 -0.686
11 H THR 3 H THR 3 4.421 -3.577 1.101
12 HA THR 3 HA THR 3 5.062 -6.409 1.504
13 HB THR 3 HB THR 3 4.673 -6.005 3.831
14 HG1 THR 3 1HG THR 3 3.742 -4.095 4.537
15 HG21 THR 3 1HG2 THR 3 6.072 -3.830 4.142
16 HG22 THR 3 2HG2 THR 3 6.175 -3.837 2.381
17 HG23 THR 3 3HG2 THR 3 6.814 -5.195 3.307
18 H ALA 4 H ALA 4 2.334 -4.293 2.329
19 HA ALA 4 HA ALA 4 0.349 -5.849 1.039
20 HB1 ALA 4 1HB ALA 4 0.200 -7.551 2.520
21 HB2 ALA 4 2HB ALA 4 -0.568 -6.370 3.578
22 HB3 ALA 4 3HB ALA 4 1.158 -6.697 3.728
23 H LEU 5 H LEU 5 1.152 -3.775 3.773
24 HA LEU 5 HA LEU 5 -1.194 -2.568 4.389
25 HB2 LEU 5 2HB LEU 5 0.932 -0.590 3.878
26 HB3 LEU 5 1HB LEU 5 0.042 -0.933 5.361
27 HG LEU 5 HG LEU 5 2.330 -2.577 4.238
28 HD11 LEU 5 1HD1 LEU 5 2.060 -0.591 6.491
29 HD12 LEU 5 2HD1 LEU 5 3.273 -0.644 5.212
30 HD13 LEU 5 3HD1 LEU 5 3.315 -1.830 6.517
31 HD21 LEU 5 1HD2 LEU 5 0.202 -3.418 5.841
32 HD22 LEU 5 2HD2 LEU 5 1.489 -3.072 6.994
33 HD23 LEU 5 3HD2 LEU 5 1.762 -4.224 5.687
34 H CYS 6 H CYS 6 -2.648 -2.532 2.687
35 HA CYS 6 HA CYS 6 -2.128 -1.258 0.184
36 HB2 CYS 6 2HB CYS 6 -4.893 -1.517 1.308
37 HB3 CYS 6 1HB CYS 6 -4.325 -1.794 -0.338
38 H SER 7 H SER 7 -1.229 0.415 2.156
39 HA SER 7 HA SER 7 -3.231 2.474 2.623
40 HB2 SER 7 2HB SER 7 -1.984 2.805 4.442
41 HB3 SER 7 1HB SER 7 -0.771 1.667 3.849
42 HG SER 7 HG SER 7 0.256 3.315 2.813
43 H ARG 8 H ARG 8 -1.898 4.776 2.515
44 HA ARG 8 HA ARG 8 -1.456 5.126 -0.370
45 HB2 ARG 8 2HB ARG 8 -2.898 6.597 1.601
46 HB3 ARG 8 1HB ARG 8 -1.567 7.616 1.042
47 HG2 ARG 8 2HG ARG 8 -3.346 6.126 -0.895
48 HG3 ARG 8 1HG ARG 8 -3.760 7.738 -0.297
49 HD2 ARG 8 2HD ARG 8 -1.646 8.626 -1.138
50 HD3 ARG 8 1HD ARG 8 -1.151 7.019 -1.663
51 HE ARG 8 HE ARG 8 -3.622 7.637 -2.870
52 HH11 ARG 8 1HH1 ARG 8 -3.638 8.335 -5.031
53 HH12 ARG 8 2HH1 ARG 8 -2.197 8.989 -5.734
54 HH21 ARG 8 1HH2 ARG 8 -0.305 8.614 -2.852
55 HH22 ARG 8 2HH2 ARG 8 -0.309 9.147 -4.500
56 H TYR 9 H TYR 9 0.528 4.186 1.785
57 HA TYR 9 HA TYR 9 2.604 6.164 1.093
58 HB2 TYR 9 2HB TYR 9 3.670 5.387 3.345
59 HB3 TYR 9 1HB TYR 9 2.399 6.611 3.354
60 HD1 TYR 9 1HD TYR 9 0.513 6.301 4.692
61 HD2 TYR 9 2HD TYR 9 2.868 2.892 3.560
62 HE1 TYR 9 1HE TYR 9 -0.854 4.865 6.180
63 HE2 TYR 9 2HE TYR 9 1.498 1.454 5.045
64 HH TYR 9 HH TYR 9 -1.447 2.511 6.427
65 H HIS 10 H HIS 10 1.747 2.794 1.611
66 HA HIS 10 HA HIS 10 4.460 2.006 0.769
67 HB2 HIS 10 2HB HIS 10 2.472 0.785 2.488
68 HB3 HIS 10 1HB HIS 10 2.920 -0.315 1.181
69 HD2 HIS 10 2HD HIS 10 4.441 1.084 4.456
70 HE1 HIS 10 1HE HIS 10 7.530 -0.982 2.451
71 HE2 HIS 10 2HE HIS 10 6.871 0.143 4.630
72 H CYS 11 H CYS 11 4.380 2.533 -1.398
73 HA CYS 11 HA CYS 11 4.049 2.114 -3.625
74 HB2 CYS 11 2HB CYS 11 2.652 -0.386 -2.670
75 HB3 CYS 11 1HB CYS 11 3.291 -0.091 -4.288
76 H LEU 12 H LEU 12 1.119 0.910 -1.992
77 HA LEU 12 HA LEU 12 -0.839 2.443 -1.977
78 HB2 LEU 12 2HB LEU 12 -0.097 3.916 -3.735
79 HB3 LEU 12 1HB LEU 12 -0.209 2.631 -4.925
80 HG LEU 12 HG LEU 12 -2.158 4.228 -4.863
81 HD11 LEU 12 1HD1 LEU 12 -2.071 1.522 -5.359
82 HD12 LEU 12 2HD1 LEU 12 -3.442 2.570 -5.718
83 HD13 LEU 12 3HD1 LEU 12 -3.407 1.650 -4.215
84 HD21 LEU 12 1HD2 LEU 12 -3.035 2.727 -2.409
85 HD22 LEU 12 2HD2 LEU 12 -3.666 4.235 -3.066
86 HD23 LEU 12 3HD2 LEU 12 -2.095 4.211 -2.268
87 HA PRO 13 HA PRO 13 -2.557 -1.108 -5.095
88 HB2 PRO 13 2HB PRO 13 -0.325 -2.922 -4.283
89 HB3 PRO 13 1HB PRO 13 -1.249 -2.881 -5.796
90 HG2 PRO 13 2HG PRO 13 1.225 -1.868 -5.581
91 HG3 PRO 13 1HG PRO 13 -0.001 -1.187 -6.664
92 HD2 PRO 13 2HD PRO 13 1.117 -0.055 -4.184
93 HD3 PRO 13 1HD PRO 13 0.247 0.744 -5.506
94 H CYS 14 H CYS 14 -1.602 -3.794 -3.629
95 HA CYS 14 HA CYS 14 -2.416 -3.613 -0.933
96 HB2 CYS 14 2HB CYS 14 -4.591 -3.013 -2.105
97 HB3 CYS 14 1HB CYS 14 -4.606 -4.659 -2.735
98 H CYS 15 H CYS 15 -0.835 -5.155 -0.521
99 HA CYS 15 HA CYS 15 -1.274 -7.820 -1.737
100 HB2 CYS 15 2HB CYS 15 1.280 -6.523 -0.761
101 HB3 CYS 15 1HB CYS 15 1.145 -8.250 -1.093
Start of MODEL 20
1 H1 CYS 1 1HT CYS 1 1.559 -4.414 -5.003
2 H2 CYS 1 2HT CYS 1 0.972 -5.016 -3.527
3 H3 CYS 1 3HT CYS 1 2.580 -5.310 -3.987
4 HA CYS 1 HA CYS 1 2.178 -2.548 -4.033
5 HB2 CYS 1 2HB CYS 1 1.078 -2.027 -2.100
6 HB3 CYS 1 1HB CYS 1 0.345 -3.619 -2.320
7 H CYS 2 H CYS 2 3.390 -2.143 -1.416
8 HA CYS 2 HA CYS 2 6.074 -3.007 -2.080
9 HB2 CYS 2 2HB CYS 2 4.954 -1.240 0.099
10 HB3 CYS 2 1HB CYS 2 6.666 -1.603 -0.082
11 H THR 3 H THR 3 3.699 -3.535 0.491
12 HA THR 3 HA THR 3 5.204 -5.930 1.309
13 HB THR 3 HB THR 3 5.068 -5.367 3.637
14 HG1 THR 3 1HG THR 3 3.662 -3.084 2.717
15 HG21 THR 3 1HG2 THR 3 6.035 -2.988 2.028
16 HG22 THR 3 2HG2 THR 3 6.983 -4.423 2.421
17 HG23 THR 3 3HG2 THR 3 6.470 -3.327 3.703
18 H ALA 4 H ALA 4 2.619 -4.400 3.060
19 HA ALA 4 HA ALA 4 0.645 -6.357 2.105
20 HB1 ALA 4 1HB ALA 4 -0.017 -6.378 4.672
21 HB2 ALA 4 2HB ALA 4 1.700 -6.032 4.877
22 HB3 ALA 4 3HB ALA 4 1.190 -7.495 4.035
23 H LEU 5 H LEU 5 1.312 -3.564 4.156
24 HA LEU 5 HA LEU 5 -1.194 -2.512 4.540
25 HB2 LEU 5 2HB LEU 5 0.969 -0.599 3.800
26 HB3 LEU 5 1HB LEU 5 -0.141 -0.569 5.170
27 HG LEU 5 HG LEU 5 2.323 -2.286 4.822
28 HD11 LEU 5 1HD1 LEU 5 1.491 0.018 6.516
29 HD12 LEU 5 2HD1 LEU 5 3.078 -0.379 5.856
30 HD13 LEU 5 3HD1 LEU 5 2.480 -1.222 7.286
31 HD21 LEU 5 1HD2 LEU 5 -0.130 -2.719 6.439
32 HD22 LEU 5 2HD2 LEU 5 1.397 -2.926 7.294
33 HD23 LEU 5 3HD2 LEU 5 1.054 -3.889 5.858
34 H CYS 6 H CYS 6 -2.754 -2.254 3.079
35 HA CYS 6 HA CYS 6 -2.133 -1.583 0.318
36 HB2 CYS 6 2HB CYS 6 -4.862 -1.868 1.592
37 HB3 CYS 6 1HB CYS 6 -4.459 -1.980 -0.120
38 H SER 7 H SER 7 -1.536 0.341 2.429
39 HA SER 7 HA SER 7 -3.501 2.471 2.056
40 HB2 SER 7 2HB SER 7 -2.326 1.935 4.273
41 HB3 SER 7 1HB SER 7 -0.896 2.683 3.557
42 HG SER 7 HG SER 7 -2.825 3.910 4.760
43 H ARG 8 H ARG 8 -2.315 4.741 1.852
44 HA ARG 8 HA ARG 8 -1.089 4.717 -0.773
45 HB2 ARG 8 2HB ARG 8 -1.351 7.194 0.896
46 HB3 ARG 8 1HB ARG 8 -1.535 6.995 -0.850
47 HG2 ARG 8 2HG ARG 8 -3.457 5.799 1.166
48 HG3 ARG 8 1HG ARG 8 -3.699 7.379 0.414
49 HD2 ARG 8 2HD ARG 8 -3.172 5.858 -1.777
50 HD3 ARG 8 1HD ARG 8 -3.968 4.672 -0.749
51 HE ARG 8 HE ARG 8 -5.934 6.015 -0.791
52 HH11 ARG 8 1HH1 ARG 8 -7.231 7.460 -1.965
53 HH12 ARG 8 2HH1 ARG 8 -6.510 8.490 -3.158
54 HH21 ARG 8 1HH2 ARG 8 -3.299 7.293 -2.642
55 HH22 ARG 8 2HH2 ARG 8 -4.288 8.394 -3.540
56 H TYR 9 H TYR 9 0.239 3.811 1.884
57 HA TYR 9 HA TYR 9 2.635 5.525 1.739
58 HB2 TYR 9 2HB TYR 9 2.062 5.485 3.978
59 HB3 TYR 9 1HB TYR 9 1.400 3.850 3.889
60 HD1 TYR 9 1HD TYR 9 2.616 2.433 5.296
61 HD2 TYR 9 2HD TYR 9 4.708 5.320 2.901
62 HE1 TYR 9 1HE TYR 9 4.782 1.516 6.083
63 HE2 TYR 9 2HE TYR 9 6.874 4.404 3.688
64 HH TYR 9 HH TYR 9 6.989 1.641 5.942
65 H HIS 10 H HIS 10 1.464 2.243 1.348
66 HA HIS 10 HA HIS 10 4.212 1.363 0.708
67 HB2 HIS 10 2HB HIS 10 1.828 -0.002 1.854
68 HB3 HIS 10 1HB HIS 10 2.890 -0.955 0.812
69 HD2 HIS 10 2HD HIS 10 4.837 1.696 2.810
70 HE1 HIS 10 1HE HIS 10 5.258 -1.934 4.925
71 HE2 HIS 10 2HE HIS 10 6.089 0.459 4.738
72 H CYS 11 H CYS 11 4.467 1.870 -1.405
73 HA CYS 11 HA CYS 11 4.313 1.651 -3.675
74 HB2 CYS 11 2HB CYS 11 2.711 -0.733 -2.786
75 HB3 CYS 11 1HB CYS 11 2.905 -0.343 -4.495
76 H LEU 12 H LEU 12 1.116 1.124 -2.215
77 HA LEU 12 HA LEU 12 -0.452 3.056 -2.442
78 HB2 LEU 12 2HB LEU 12 0.627 4.078 -4.352
79 HB3 LEU 12 1HB LEU 12 0.229 2.698 -5.369
80 HG LEU 12 HG LEU 12 -1.291 4.719 -5.561
81 HD11 LEU 12 1HD1 LEU 12 -3.164 2.645 -4.727
82 HD12 LEU 12 2HD1 LEU 12 -1.847 2.001 -5.707
83 HD13 LEU 12 3HD1 LEU 12 -2.859 3.299 -6.333
84 HD21 LEU 12 1HD2 LEU 12 -2.505 3.743 -2.984
85 HD22 LEU 12 2HD2 LEU 12 -2.808 5.249 -3.843
86 HD23 LEU 12 3HD2 LEU 12 -1.280 5.010 -2.996
87 HA PRO 13 HA PRO 13 -2.999 -0.371 -4.592
88 HB2 PRO 13 2HB PRO 13 -1.343 -2.720 -4.908
89 HB3 PRO 13 1HB PRO 13 -2.152 -1.766 -6.166
90 HG2 PRO 13 2HG PRO 13 0.567 -1.914 -5.808
91 HG3 PRO 13 1HG PRO 13 -0.280 -0.604 -6.650
92 HD2 PRO 13 2HD PRO 13 0.837 -0.652 -3.874
93 HD3 PRO 13 1HD PRO 13 0.744 0.689 -5.033
94 H CYS 14 H CYS 14 -3.031 -3.143 -3.991
95 HA CYS 14 HA CYS 14 -2.828 -3.111 -1.046
96 HB2 CYS 14 2HB CYS 14 -5.179 -3.028 -1.892
97 HB3 CYS 14 1HB CYS 14 -4.897 -4.572 -2.699
98 H CYS 15 H CYS 15 -1.867 -4.839 -0.068
99 HA CYS 15 HA CYS 15 -1.008 -7.035 -1.852
100 HB2 CYS 15 2HB CYS 15 0.909 -7.014 0.073
101 HB3 CYS 15 1HB CYS 15 1.054 -6.172 -1.473