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 |
|
|
583747 |
2mto   |
25174 | 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 HT1 GLY 1 -6.427 1.867 -9.193
2 H2 GLY 1 HT2 GLY 1 -5.768 0.536 -10.017
3 H3 GLY 1 HT3 GLY 1 -5.677 2.090 -10.699
4 HA2 GLY 1 HA2 GLY 1 -3.767 2.490 -9.689
5 HA3 GLY 1 HA1 GLY 1 -4.522 2.149 -8.131
6 H ABA 2 H ABA 2 -1.872 1.374 -9.512
7 HA ABA 2 HA ABA 2 -1.878 -1.434 -9.883
8 HB3 ABA 2 HB1 ABA 2 0.022 0.693 -9.964
9 HB2 ABA 2 HB2 ABA 2 0.186 -0.939 -10.597
10 HG1 ABA 2 HG ABA 2 1.255 0.129 -7.994
11 H CYS 3 H CYS 3 -1.342 0.625 -7.055
12 HA CYS 3 HA CYS 3 -0.465 -1.370 -5.274
13 HB2 CYS 3 HB2 CYS 3 -1.909 1.244 -4.842
14 HB3 CYS 3 HB1 CYS 3 -1.354 0.226 -3.516
15 H SER 4 H SER 4 -3.693 -0.227 -6.133
16 HA SER 4 HA SER 4 -5.111 -1.736 -4.201
17 HB2 SER 4 HB2 SER 4 -7.077 -1.282 -5.573
18 HB3 SER 4 HB1 SER 4 -6.083 0.168 -5.452
19 HG SER 4 HG SER 4 -5.669 0.045 -7.518
20 H ASP 5 H ASP 5 -4.040 -2.457 -7.493
21 HA ASP 5 HA ASP 5 -5.339 -5.039 -7.443
22 HB2 ASP 5 HB2 ASP 5 -3.584 -3.729 -9.507
23 HB3 ASP 5 HB1 ASP 5 -4.361 -5.290 -9.719
24 HA PRO 6 HA PRO 6 -1.799 -7.247 -5.885
25 HB2 PRO 6 HB2 PRO 6 -2.240 -9.713 -7.010
26 HB3 PRO 6 HB1 PRO 6 -3.141 -9.092 -5.617
27 HG2 PRO 6 HG2 PRO 6 -3.924 -9.215 -8.465
28 HG3 PRO 6 HG1 PRO 6 -4.902 -9.467 -7.014
29 HD2 PRO 6 HD2 PRO 6 -4.965 -7.153 -8.465
30 HD3 PRO 6 HD1 PRO 6 -5.290 -7.217 -6.730
31 H ARG 7 H ARG 7 -2.426 -7.041 -9.297
32 HA ARG 7 HA ARG 7 -0.129 -8.310 -10.307
33 HB2 ARG 7 HB2 ARG 7 -0.571 -7.142 -12.361
34 HB3 ARG 7 HB1 ARG 7 -2.127 -7.580 -11.649
35 HG2 ARG 7 HG2 ARG 7 -2.191 -5.278 -10.600
36 HG3 ARG 7 HG1 ARG 7 -0.775 -4.873 -11.568
37 HD2 ARG 7 HD2 ARG 7 -2.759 -4.136 -12.757
38 HD3 ARG 7 HD1 ARG 7 -2.052 -5.497 -13.622
39 HE ARG 7 HE ARG 7 -4.028 -6.377 -11.753
40 HH11 ARG 7 1HH2 ARG 7 -3.546 -4.867 -14.829
41 HH12 ARG 7 2HH2 ARG 7 -5.054 -5.411 -15.486
42 HH21 ARG 7 1HH1 ARG 7 -6.006 -7.094 -12.608
43 HH22 ARG 7 2HH1 ARG 7 -6.447 -6.672 -14.229
44 H ABA 8 H ABA 8 -0.562 -5.334 -8.649
45 HA ABA 8 HA ABA 8 2.279 -4.676 -9.156
46 HB3 ABA 8 HB1 ABA 8 -0.133 -2.965 -9.453
47 HB2 ABA 8 HB2 ABA 8 1.399 -2.909 -10.310
48 HG1 ABA 8 HG ABA 8 2.126 -2.087 -7.710
49 H ARG 9 H ARG 9 2.997 -5.574 -7.264
50 HA ARG 9 HA ARG 9 1.773 -4.751 -4.735
51 HB2 ARG 9 HB2 ARG 9 3.973 -6.707 -5.406
52 HB3 ARG 9 HB1 ARG 9 3.455 -6.329 -3.760
53 HG2 ARG 9 HG2 ARG 9 1.221 -7.121 -4.207
54 HG3 ARG 9 HG1 ARG 9 1.578 -7.297 -5.927
55 HD2 ARG 9 HD2 ARG 9 1.694 -9.488 -4.861
56 HD3 ARG 9 HD1 ARG 9 3.312 -8.995 -5.349
57 HE ARG 9 HE ARG 9 2.789 -8.192 -2.665
58 HH11 ARG 9 1HH2 ARG 9 3.486 -10.923 -4.672
59 HH12 ARG 9 2HH2 ARG 9 4.258 -11.826 -3.412
60 HH21 ARG 9 1HH1 ARG 9 3.799 -9.370 -1.007
61 HH22 ARG 9 2HH1 ARG 9 4.436 -10.947 -1.337
62 H TYR 10 H TYR 10 2.553 -2.505 -5.481
63 HA TYR 10 HA TYR 10 5.310 -1.846 -5.309
64 HB2 TYR 10 HB2 TYR 10 2.901 -0.485 -5.898
65 HB3 TYR 10 HB1 TYR 10 3.629 0.367 -4.538
66 HD1 TYR 10 HD2 TYR 10 4.294 -0.926 -7.966
67 HD2 TYR 10 HD1 TYR 10 5.586 1.689 -4.813
68 HE1 TYR 10 HE2 TYR 10 5.956 0.096 -9.495
69 HE2 TYR 10 HE1 TYR 10 7.248 2.711 -6.342
70 HH TYR 10 HH TYR 10 7.653 1.520 -9.677
71 H ARG 11 H ARG 11 5.356 0.310 -3.531
72 HA ARG 11 HA ARG 11 6.003 -0.997 -1.094
73 HB2 ARG 11 HB2 ARG 11 5.689 1.934 -1.786
74 HB3 ARG 11 HB1 ARG 11 6.275 1.347 -0.230
75 HG2 ARG 11 HG2 ARG 11 8.119 0.165 -1.352
76 HG3 ARG 11 HG1 ARG 11 7.530 0.724 -2.918
77 HD2 ARG 11 HD2 ARG 11 7.865 3.063 -2.213
78 HD3 ARG 11 HD1 ARG 11 8.451 2.509 -0.647
79 HE ARG 11 HE ARG 11 9.999 1.275 -2.645
80 HH11 ARG 11 1HH2 ARG 11 9.311 4.404 -1.335
81 HH12 ARG 11 2HH2 ARG 11 10.872 5.055 -1.709
82 HH21 ARG 11 1HH1 ARG 11 12.048 2.123 -3.138
83 HH22 ARG 11 2HH1 ARG 11 12.422 3.764 -2.729
84 H CYS 12 H CYS 12 3.063 0.042 -2.384
85 HA CYS 12 HA CYS 12 1.676 0.943 -0.097
86 HB2 CYS 12 HB2 CYS 12 0.563 -0.583 -2.458
87 HB3 CYS 12 HB1 CYS 12 -0.346 0.439 -1.343
88 H ARG 13 H ARG 13 2.758 -0.662 1.368
89 HA ARG 13 HA ARG 13 1.683 -3.364 1.329
90 HB2 ARG 13 HB2 ARG 13 3.558 -1.932 3.222
91 HB3 ARG 13 HB1 ARG 13 3.047 -3.612 3.426
92 HG2 ARG 13 HG2 ARG 13 4.011 -4.221 1.282
93 HG3 ARG 13 HG1 ARG 13 4.395 -2.535 0.933
94 HD2 ARG 13 HD2 ARG 13 6.399 -3.686 1.730
95 HD3 ARG 13 HD1 ARG 13 5.889 -2.485 2.913
96 HE ARG 13 HE ARG 13 4.738 -5.028 3.498
97 HH11 ARG 13 1HH2 ARG 13 7.679 -3.209 3.591
98 HH12 ARG 13 2HH2 ARG 13 8.339 -4.082 4.933
99 HH21 ARG 13 1HH1 ARG 13 5.596 -6.178 5.258
100 HH22 ARG 13 2HH1 ARG 13 7.160 -5.763 5.877
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -5.767 1.570 -10.660
2 H2 GLY 1 HT2 GLY 1 -6.387 2.174 -9.198
3 H3 GLY 1 HT3 GLY 1 -5.963 0.534 -9.331
4 HA2 GLY 1 HA2 GLY 1 -3.847 2.442 -9.909
5 HA3 GLY 1 HA1 GLY 1 -4.379 2.353 -8.230
6 H ABA 2 H ABA 2 -1.835 1.461 -9.458
7 HA ABA 2 HA ABA 2 -1.854 -1.403 -9.535
8 HB3 ABA 2 HB1 ABA 2 0.058 0.733 -9.936
9 HB2 ABA 2 HB2 ABA 2 0.085 -0.907 -10.567
10 HG1 ABA 2 HG ABA 2 1.477 0.136 -8.119
11 H CYS 3 H CYS 3 -1.645 0.992 -7.069
12 HA CYS 3 HA CYS 3 -0.333 -0.471 -5.052
13 HB2 CYS 3 HB2 CYS 3 -2.188 1.877 -5.069
14 HB3 CYS 3 HB1 CYS 3 -1.749 1.135 -3.539
15 H SER 4 H SER 4 -3.721 -0.305 -5.989
16 HA SER 4 HA SER 4 -4.531 -2.026 -3.784
17 HB2 SER 4 HB2 SER 4 -6.780 -1.692 -4.631
18 HB3 SER 4 HB1 SER 4 -5.951 -0.137 -4.584
19 HG SER 4 HG SER 4 -6.098 -1.822 -6.866
20 H ASP 5 H ASP 5 -3.816 -2.286 -7.209
21 HA ASP 5 HA ASP 5 -5.114 -4.791 -7.584
22 HB2 ASP 5 HB2 ASP 5 -2.934 -3.456 -9.189
23 HB3 ASP 5 HB1 ASP 5 -3.852 -4.867 -9.708
24 HA PRO 6 HA PRO 6 -1.942 -7.411 -5.851
25 HB2 PRO 6 HB2 PRO 6 -2.486 -9.756 -7.127
26 HB3 PRO 6 HB1 PRO 6 -3.512 -9.094 -5.842
27 HG2 PRO 6 HG2 PRO 6 -3.900 -9.040 -8.777
28 HG3 PRO 6 HG1 PRO 6 -5.087 -9.265 -7.485
29 HD2 PRO 6 HD2 PRO 6 -4.718 -6.880 -8.806
30 HD3 PRO 6 HD1 PRO 6 -5.346 -7.009 -7.153
31 H ARG 7 H ARG 7 -2.257 -7.126 -9.336
32 HA ARG 7 HA ARG 7 0.104 -8.490 -10.082
33 HB2 ARG 7 HB2 ARG 7 -0.112 -7.077 -12.181
34 HB3 ARG 7 HB1 ARG 7 -1.522 -8.056 -11.766
35 HG2 ARG 7 HG2 ARG 7 -2.811 -6.236 -11.296
36 HG3 ARG 7 HG1 ARG 7 -1.473 -5.348 -10.565
37 HD2 ARG 7 HD2 ARG 7 -1.667 -5.824 -13.543
38 HD3 ARG 7 HD1 ARG 7 -2.368 -4.407 -12.763
39 HE ARG 7 HE ARG 7 0.268 -4.565 -11.890
40 HH11 ARG 7 1HH2 ARG 7 -1.479 -4.238 -14.860
41 HH12 ARG 7 2HH2 ARG 7 -0.243 -3.313 -15.648
42 HH21 ARG 7 1HH1 ARG 7 1.893 -3.349 -12.918
43 HH22 ARG 7 2HH1 ARG 7 1.665 -2.809 -14.548
44 H ABA 8 H ABA 8 -0.506 -5.292 -8.861
45 HA ABA 8 HA ABA 8 2.343 -4.601 -9.261
46 HB3 ABA 8 HB1 ABA 8 -0.168 -2.983 -9.283
47 HB2 ABA 8 HB2 ABA 8 1.220 -2.922 -10.365
48 HG1 ABA 8 HG ABA 8 2.286 -2.112 -7.876
49 H ARG 9 H ARG 9 2.874 -5.851 -7.379
50 HA ARG 9 HA ARG 9 1.801 -5.123 -4.802
51 HB2 ARG 9 HB2 ARG 9 2.755 -7.403 -5.513
52 HB3 ARG 9 HB1 ARG 9 4.341 -6.661 -5.294
53 HG2 ARG 9 HG2 ARG 9 3.746 -6.072 -2.970
54 HG3 ARG 9 HG1 ARG 9 2.168 -6.827 -3.189
55 HD2 ARG 9 HD2 ARG 9 3.264 -8.989 -3.648
56 HD3 ARG 9 HD1 ARG 9 4.841 -8.237 -3.426
57 HE ARG 9 HE ARG 9 4.481 -8.255 -1.120
58 HH11 ARG 9 1HH2 ARG 9 1.597 -9.006 -2.877
59 HH12 ARG 9 2HH2 ARG 9 0.709 -9.504 -1.476
60 HH21 ARG 9 1HH1 ARG 9 3.322 -8.906 0.722
61 HH22 ARG 9 2HH1 ARG 9 1.685 -9.448 0.561
62 H TYR 10 H TYR 10 2.546 -2.804 -5.817
63 HA TYR 10 HA TYR 10 5.224 -1.996 -5.451
64 HB2 TYR 10 HB2 TYR 10 2.791 -0.793 -6.237
65 HB3 TYR 10 HB1 TYR 10 3.395 0.159 -4.881
66 HD1 TYR 10 HD1 TYR 10 4.250 -1.191 -8.233
67 HD2 TYR 10 HD2 TYR 10 5.373 1.497 -5.076
68 HE1 TYR 10 HE1 TYR 10 5.948 -0.160 -9.716
69 HE2 TYR 10 HE2 TYR 10 7.072 2.529 -6.559
70 HH TYR 10 HH TYR 10 8.430 1.680 -8.666
71 H ARG 11 H ARG 11 5.025 0.232 -3.761
72 HA ARG 11 HA ARG 11 5.686 -0.887 -1.267
73 HB2 ARG 11 HB2 ARG 11 4.951 1.935 -2.065
74 HB3 ARG 11 HB1 ARG 11 5.514 1.499 -0.452
75 HG2 ARG 11 HG2 ARG 11 7.558 0.477 -1.540
76 HG3 ARG 11 HG1 ARG 11 7.020 1.193 -3.060
77 HD2 ARG 11 HD2 ARG 11 7.511 2.764 -0.518
78 HD3 ARG 11 HD1 ARG 11 8.676 2.614 -1.829
79 HE ARG 11 HE ARG 11 6.219 4.186 -1.856
80 HH11 ARG 11 1HH2 ARG 11 8.825 2.732 -3.611
81 HH12 ARG 11 2HH2 ARG 11 8.664 3.775 -4.983
82 HH21 ARG 11 1HH1 ARG 11 6.003 5.556 -3.654
83 HH22 ARG 11 2HH1 ARG 11 7.066 5.373 -5.009
84 H CYS 12 H CYS 12 2.696 0.483 -2.522
85 HA CYS 12 HA CYS 12 1.245 0.662 -0.135
86 HB2 CYS 12 HB2 CYS 12 0.121 -0.113 -2.825
87 HB3 CYS 12 HB1 CYS 12 -0.722 0.694 -1.504
88 H ARG 13 H ARG 13 -0.624 -1.433 -1.944
89 HA ARG 13 HA ARG 13 -0.103 -3.611 -0.031
90 HB2 ARG 13 HB2 ARG 13 -2.479 -3.074 -1.830
91 HB3 ARG 13 HB1 ARG 13 -2.348 -4.409 -0.680
92 HG2 ARG 13 HG2 ARG 13 -2.209 -2.874 1.184
93 HG3 ARG 13 HG1 ARG 13 -2.123 -1.488 0.096
94 HD2 ARG 13 HD2 ARG 13 -4.396 -1.658 0.909
95 HD3 ARG 13 HD1 ARG 13 -4.379 -2.120 -0.791
96 HE ARG 13 HE ARG 13 -4.045 -4.435 0.799
97 HH11 ARG 13 1HH2 ARG 13 -6.373 -2.014 -0.035
98 HH12 ARG 13 2HH2 ARG 13 -7.739 -3.052 0.200
99 HH21 ARG 13 1HH1 ARG 13 -5.832 -5.801 1.109
100 HH22 ARG 13 2HH1 ARG 13 -7.434 -5.195 0.846
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -6.088 1.443 -9.383
2 H2 GLY 1 HT2 GLY 1 -6.236 2.347 -7.952
3 H3 GLY 1 HT3 GLY 1 -5.902 0.681 -7.879
4 HA2 GLY 1 HA2 GLY 1 -4.039 2.408 -9.342
5 HA3 GLY 1 HA1 GLY 1 -4.002 2.432 -7.579
6 H ABA 2 H ABA 2 -1.784 1.519 -8.803
7 HA ABA 2 HA ABA 2 -1.691 -1.220 -9.432
8 HB3 ABA 2 HB1 ABA 2 0.176 0.919 -9.048
9 HB2 ABA 2 HB2 ABA 2 0.400 -0.592 -9.917
10 HG1 ABA 2 HG ABA 2 1.291 0.051 -7.122
11 H CYS 3 H CYS 3 -1.488 0.493 -6.365
12 HA CYS 3 HA CYS 3 -0.747 -1.664 -4.704
13 HB2 CYS 3 HB2 CYS 3 -0.628 0.534 -3.806
14 HB3 CYS 3 HB1 CYS 3 -2.322 0.854 -4.167
15 H SER 4 H SER 4 -3.945 -0.399 -5.580
16 HA SER 4 HA SER 4 -5.425 -2.298 -4.088
17 HB2 SER 4 HB2 SER 4 -7.342 -1.536 -5.371
18 HB3 SER 4 HB1 SER 4 -6.350 -0.150 -4.930
19 HG SER 4 HG SER 4 -5.336 -0.875 -7.151
20 H ASP 5 H ASP 5 -3.791 -2.469 -7.127
21 HA ASP 5 HA ASP 5 -5.253 -4.885 -7.879
22 HB2 ASP 5 HB2 ASP 5 -3.196 -3.298 -9.402
23 HB3 ASP 5 HB1 ASP 5 -4.072 -4.691 -10.025
24 HA PRO 6 HA PRO 6 -1.951 -7.483 -6.389
25 HB2 PRO 6 HB2 PRO 6 -2.377 -9.706 -7.943
26 HB3 PRO 6 HB1 PRO 6 -3.407 -9.266 -6.571
27 HG2 PRO 6 HG2 PRO 6 -3.862 -8.883 -9.470
28 HG3 PRO 6 HG1 PRO 6 -5.009 -9.316 -8.194
29 HD2 PRO 6 HD2 PRO 6 -4.807 -6.788 -9.236
30 HD3 PRO 6 HD1 PRO 6 -5.359 -7.127 -7.589
31 H ARG 7 H ARG 7 -2.256 -6.781 -9.803
32 HA ARG 7 HA ARG 7 0.123 -7.962 -10.731
33 HB2 ARG 7 HB2 ARG 7 -0.077 -6.335 -12.609
34 HB3 ARG 7 HB1 ARG 7 -1.582 -7.198 -12.280
35 HG2 ARG 7 HG2 ARG 7 -2.662 -5.288 -11.764
36 HG3 ARG 7 HG1 ARG 7 -1.374 -4.770 -10.675
37 HD2 ARG 7 HD2 ARG 7 -1.186 -4.566 -13.688
38 HD3 ARG 7 HD1 ARG 7 -1.770 -3.255 -12.665
39 HE ARG 7 HE ARG 7 0.674 -4.042 -11.603
40 HH11 ARG 7 1HH2 ARG 7 -0.594 -2.810 -14.580
41 HH12 ARG 7 2HH2 ARG 7 0.857 -1.970 -15.013
42 HH21 ARG 7 1HH1 ARG 7 2.583 -2.939 -12.167
43 HH22 ARG 7 2HH1 ARG 7 2.656 -2.042 -13.647
44 H ABA 8 H ABA 8 -0.435 -5.261 -8.726
45 HA ABA 8 HA ABA 8 2.411 -4.502 -8.977
46 HB3 ABA 8 HB1 ABA 8 -0.022 -2.797 -9.091
47 HB2 ABA 8 HB2 ABA 8 1.542 -2.583 -9.865
48 HG1 ABA 8 HG ABA 8 2.125 -2.204 -7.118
49 H ARG 9 H ARG 9 2.908 -5.862 -7.253
50 HA ARG 9 HA ARG 9 1.658 -5.302 -4.668
51 HB2 ARG 9 HB2 ARG 9 2.161 -7.670 -5.610
52 HB3 ARG 9 HB1 ARG 9 3.830 -7.327 -5.142
53 HG2 ARG 9 HG2 ARG 9 3.129 -6.904 -2.838
54 HG3 ARG 9 HG1 ARG 9 1.444 -7.145 -3.289
55 HD2 ARG 9 HD2 ARG 9 1.993 -9.472 -3.981
56 HD3 ARG 9 HD1 ARG 9 3.648 -9.218 -3.433
57 HE ARG 9 HE ARG 9 1.309 -9.626 -1.756
58 HH11 ARG 9 1HH2 ARG 9 4.567 -8.493 -2.032
59 HH12 ARG 9 2HH2 ARG 9 4.913 -8.654 -0.342
60 HH21 ARG 9 1HH1 ARG 9 1.755 -9.842 0.461
61 HH22 ARG 9 2HH1 ARG 9 3.320 -9.419 1.069
62 H TYR 10 H TYR 10 3.254 -3.268 -5.828
63 HA TYR 10 HA TYR 10 5.840 -3.332 -4.498
64 HB2 TYR 10 HB2 TYR 10 4.461 -1.231 -6.184
65 HB3 TYR 10 HB1 TYR 10 6.061 -1.023 -5.472
66 HD1 TYR 10 HD2 TYR 10 7.970 -2.351 -6.237
67 HD2 TYR 10 HD1 TYR 10 4.083 -2.816 -8.003
68 HE1 TYR 10 HE2 TYR 10 8.979 -3.596 -8.130
69 HE2 TYR 10 HE1 TYR 10 5.091 -4.061 -9.896
70 HH TYR 10 HH TYR 10 6.952 -5.031 -10.673
71 H ARG 11 H ARG 11 6.141 -0.704 -3.712
72 HA ARG 11 HA ARG 11 5.173 -0.711 -1.097
73 HB2 ARG 11 HB2 ARG 11 6.099 1.581 -2.828
74 HB3 ARG 11 HB1 ARG 11 5.783 1.727 -1.101
75 HG2 ARG 11 HG2 ARG 11 7.457 0.005 -0.623
76 HG3 ARG 11 HG1 ARG 11 7.741 -0.217 -2.348
77 HD2 ARG 11 HD2 ARG 11 9.476 1.233 -1.428
78 HD3 ARG 11 HD1 ARG 11 8.445 2.166 -2.508
79 HE ARG 11 HE ARG 11 7.684 3.381 -0.667
80 HH11 ARG 11 1HH2 ARG 11 9.459 0.570 0.295
81 HH12 ARG 11 2HH2 ARG 11 9.540 1.023 1.964
82 HH21 ARG 11 1HH1 ARG 11 7.787 3.982 1.521
83 HH22 ARG 11 2HH1 ARG 11 8.593 2.955 2.659
84 H CYS 12 H CYS 12 3.449 0.191 -0.099
85 HA CYS 12 HA CYS 12 1.533 1.800 -1.583
86 HB2 CYS 12 HB2 CYS 12 0.814 -0.432 -2.173
87 HB3 CYS 12 HB1 CYS 12 0.837 -0.931 -0.483
88 H ARG 13 H ARG 13 1.219 3.419 -0.228
89 HA ARG 13 HA ARG 13 0.292 2.894 2.477
90 HB2 ARG 13 HB2 ARG 13 1.975 4.093 3.633
91 HB3 ARG 13 HB1 ARG 13 2.857 3.042 2.524
92 HG2 ARG 13 HG2 ARG 13 2.251 5.996 2.131
93 HG3 ARG 13 HG1 ARG 13 3.828 5.270 2.407
94 HD2 ARG 13 HD2 ARG 13 3.355 3.878 0.284
95 HD3 ARG 13 HD1 ARG 13 2.068 5.035 -0.031
96 HE ARG 13 HE ARG 13 3.690 6.666 -0.482
97 HH11 ARG 13 1HH2 ARG 13 5.066 3.773 0.829
98 HH12 ARG 13 2HH2 ARG 13 6.698 4.216 0.457
99 HH21 ARG 13 1HH1 ARG 13 5.830 7.254 -0.972
100 HH22 ARG 13 2HH1 ARG 13 7.130 6.188 -0.562
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -5.887 1.788 -10.658
2 H2 GLY 1 HT2 GLY 1 -6.540 1.815 -9.090
3 H3 GLY 1 HT3 GLY 1 -5.954 0.361 -9.744
4 HA2 GLY 1 HA2 GLY 1 -3.943 2.368 -9.798
5 HA3 GLY 1 HA1 GLY 1 -4.565 2.127 -8.164
6 H ABA 2 H ABA 2 -1.984 1.335 -9.552
7 HA ABA 2 HA ABA 2 -1.914 -1.475 -9.856
8 HB3 ABA 2 HB1 ABA 2 -0.059 0.701 -9.945
9 HB2 ABA 2 HB2 ABA 2 0.128 -0.923 -10.587
10 HG1 ABA 2 HG ABA 2 1.209 0.148 -7.992
11 H CYS 3 H CYS 3 -1.420 0.642 -7.061
12 HA CYS 3 HA CYS 3 -0.483 -1.293 -5.251
13 HB2 CYS 3 HB2 CYS 3 -2.035 1.269 -4.845
14 HB3 CYS 3 HB1 CYS 3 -1.402 0.298 -3.517
15 H SER 4 H SER 4 -3.750 -0.269 -6.117
16 HA SER 4 HA SER 4 -5.089 -1.846 -4.167
17 HB2 SER 4 HB2 SER 4 -7.100 -1.406 -5.487
18 HB3 SER 4 HB1 SER 4 -6.147 0.066 -5.318
19 HG SER 4 HG SER 4 -6.031 -1.719 -7.527
20 H ASP 5 H ASP 5 -4.054 -2.448 -7.491
21 HA ASP 5 HA ASP 5 -5.330 -5.031 -7.550
22 HB2 ASP 5 HB2 ASP 5 -3.494 -3.689 -9.517
23 HB3 ASP 5 HB1 ASP 5 -4.314 -5.218 -9.798
24 HA PRO 6 HA PRO 6 -1.836 -7.308 -5.953
25 HB2 PRO 6 HB2 PRO 6 -2.280 -9.752 -7.138
26 HB3 PRO 6 HB1 PRO 6 -3.218 -9.151 -5.761
27 HG2 PRO 6 HG2 PRO 6 -3.911 -9.208 -8.635
28 HG3 PRO 6 HG1 PRO 6 -4.937 -9.482 -7.220
29 HD2 PRO 6 HD2 PRO 6 -4.928 -7.137 -8.624
30 HD3 PRO 6 HD1 PRO 6 -5.317 -7.238 -6.903
31 H ARG 7 H ARG 7 -2.394 -7.053 -9.379
32 HA ARG 7 HA ARG 7 -0.064 -8.308 -10.336
33 HB2 ARG 7 HB2 ARG 7 -0.483 -7.168 -12.409
34 HB3 ARG 7 HB1 ARG 7 -2.048 -7.604 -11.719
35 HG2 ARG 7 HG2 ARG 7 -2.191 -5.302 -10.738
36 HG3 ARG 7 HG1 ARG 7 -0.714 -4.886 -11.596
37 HD2 ARG 7 HD2 ARG 7 -2.601 -4.157 -12.926
38 HD3 ARG 7 HD1 ARG 7 -1.823 -5.497 -13.738
39 HE ARG 7 HE ARG 7 -4.412 -5.614 -12.319
40 HH11 ARG 7 1HH2 ARG 7 -1.979 -7.086 -14.299
41 HH12 ARG 7 2HH2 ARG 7 -2.982 -8.404 -14.783
42 HH21 ARG 7 1HH1 ARG 7 -5.728 -7.348 -12.953
43 HH22 ARG 7 2HH1 ARG 7 -5.102 -8.558 -14.022
44 H ABA 8 H ABA 8 -0.566 -5.347 -8.664
45 HA ABA 8 HA ABA 8 2.273 -4.643 -9.145
46 HB3 ABA 8 HB1 ABA 8 -0.167 -2.969 -9.430
47 HB2 ABA 8 HB2 ABA 8 1.353 -2.894 -10.307
48 HG1 ABA 8 HG ABA 8 2.103 -2.069 -7.716
49 H ARG 9 H ARG 9 2.931 -5.584 -7.241
50 HA ARG 9 HA ARG 9 1.690 -4.708 -4.738
51 HB2 ARG 9 HB2 ARG 9 3.817 -6.760 -5.365
52 HB3 ARG 9 HB1 ARG 9 3.310 -6.339 -3.726
53 HG2 ARG 9 HG2 ARG 9 1.030 -7.013 -4.201
54 HG3 ARG 9 HG1 ARG 9 1.429 -7.281 -5.896
55 HD2 ARG 9 HD2 ARG 9 1.401 -9.423 -4.706
56 HD3 ARG 9 HD1 ARG 9 3.044 -9.042 -5.213
57 HE ARG 9 HE ARG 9 3.639 -8.805 -2.970
58 HH11 ARG 9 1HH2 ARG 9 0.205 -8.947 -3.377
59 HH12 ARG 9 2HH2 ARG 9 -0.128 -9.096 -1.684
60 HH21 ARG 9 1HH1 ARG 9 3.209 -9.001 -0.748
61 HH22 ARG 9 2HH1 ARG 9 1.572 -9.127 -0.196
62 H TYR 10 H TYR 10 2.535 -2.496 -5.402
63 HA TYR 10 HA TYR 10 5.335 -1.962 -5.199
64 HB2 TYR 10 HB2 TYR 10 2.905 -0.452 -5.701
65 HB3 TYR 10 HB1 TYR 10 3.972 0.414 -4.597
66 HD1 TYR 10 HD1 TYR 10 6.516 0.454 -5.255
67 HD2 TYR 10 HD2 TYR 10 3.313 -0.333 -8.007
68 HE1 TYR 10 HE1 TYR 10 7.990 1.077 -7.151
69 HE2 TYR 10 HE2 TYR 10 4.786 0.289 -9.901
70 HH TYR 10 HH TYR 10 7.282 2.024 -9.793
71 H ARG 11 H ARG 11 5.601 0.138 -3.489
72 HA ARG 11 HA ARG 11 6.002 -1.108 -0.998
73 HB2 ARG 11 HB2 ARG 11 5.923 1.817 -1.768
74 HB3 ARG 11 HB1 ARG 11 6.460 1.207 -0.204
75 HG2 ARG 11 HG2 ARG 11 8.235 -0.083 -1.263
76 HG3 ARG 11 HG1 ARG 11 7.657 0.387 -2.863
77 HD2 ARG 11 HD2 ARG 11 9.547 1.793 -2.241
78 HD3 ARG 11 HD1 ARG 11 8.086 2.756 -2.300
79 HE ARG 11 HE ARG 11 9.460 1.876 0.157
80 HH11 ARG 11 1HH2 ARG 11 7.045 3.763 -1.450
81 HH12 ARG 11 2HH2 ARG 11 6.708 4.748 -0.075
82 HH21 ARG 11 1HH1 ARG 11 9.021 3.174 1.968
83 HH22 ARG 11 2HH1 ARG 11 7.821 4.419 1.861
84 H CYS 12 H CYS 12 3.181 -0.036 -2.409
85 HA CYS 12 HA CYS 12 1.782 1.185 -0.308
86 HB2 CYS 12 HB2 CYS 12 0.824 -0.536 -2.606
87 HB3 CYS 12 HB1 CYS 12 -0.263 0.300 -1.490
88 H ARG 13 H ARG 13 2.256 -2.206 -1.134
89 HA ARG 13 HA ARG 13 0.631 -3.098 1.115
90 HB2 ARG 13 HB2 ARG 13 2.370 -4.908 -0.538
91 HB3 ARG 13 HB1 ARG 13 0.814 -5.247 0.227
92 HG2 ARG 13 HG2 ARG 13 1.269 -3.456 -2.181
93 HG3 ARG 13 HG1 ARG 13 0.503 -5.043 -2.195
94 HD2 ARG 13 HD2 ARG 13 -0.525 -2.535 -0.834
95 HD3 ARG 13 HD1 ARG 13 -1.245 -3.368 -2.207
96 HE ARG 13 HE ARG 13 -1.131 -5.259 -0.197
97 HH11 ARG 13 1HH2 ARG 13 -2.475 -2.104 -0.652
98 HH12 ARG 13 2HH2 ARG 13 -3.813 -2.369 0.414
99 HH21 ARG 13 1HH1 ARG 13 -2.883 -5.613 1.205
100 HH22 ARG 13 2HH1 ARG 13 -4.044 -4.356 1.466
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -6.327 2.337 -8.424
2 H2 GLY 1 HT2 GLY 1 -6.009 0.669 -8.461
3 H3 GLY 1 HT3 GLY 1 -5.761 1.614 -9.850
4 HA2 GLY 1 HA2 GLY 1 -3.845 2.569 -9.058
5 HA3 GLY 1 HA1 GLY 1 -4.296 2.255 -7.382
6 H ABA 2 H ABA 2 -1.807 1.549 -8.741
7 HA ABA 2 HA ABA 2 -1.710 -1.177 -9.438
8 HB3 ABA 2 HB1 ABA 2 0.146 0.962 -9.032
9 HB2 ABA 2 HB2 ABA 2 0.380 -0.540 -9.912
10 HG1 ABA 2 HG ABA 2 1.277 0.092 -7.117
11 H CYS 3 H CYS 3 -1.454 0.472 -6.329
12 HA CYS 3 HA CYS 3 -0.706 -1.728 -4.731
13 HB2 CYS 3 HB2 CYS 3 -0.577 0.474 -3.813
14 HB3 CYS 3 HB1 CYS 3 -2.288 0.766 -4.094
15 H SER 4 H SER 4 -3.902 -0.426 -5.549
16 HA SER 4 HA SER 4 -5.397 -2.327 -4.086
17 HB2 SER 4 HB2 SER 4 -7.302 -1.563 -5.399
18 HB3 SER 4 HB1 SER 4 -6.316 -0.183 -4.925
19 HG SER 4 HG SER 4 -6.004 0.200 -6.959
20 H ASP 5 H ASP 5 -3.798 -2.481 -7.163
21 HA ASP 5 HA ASP 5 -5.248 -4.902 -7.894
22 HB2 ASP 5 HB2 ASP 5 -3.203 -3.318 -9.431
23 HB3 ASP 5 HB1 ASP 5 -4.082 -4.709 -10.049
24 HA PRO 6 HA PRO 6 -1.939 -7.518 -6.435
25 HB2 PRO 6 HB2 PRO 6 -2.344 -9.722 -8.023
26 HB3 PRO 6 HB1 PRO 6 -3.374 -9.309 -6.643
27 HG2 PRO 6 HG2 PRO 6 -3.837 -8.891 -9.532
28 HG3 PRO 6 HG1 PRO 6 -4.979 -9.347 -8.260
29 HD2 PRO 6 HD2 PRO 6 -4.800 -6.809 -9.270
30 HD3 PRO 6 HD1 PRO 6 -5.339 -7.172 -7.625
31 H ARG 7 H ARG 7 -2.242 -6.776 -9.836
32 HA ARG 7 HA ARG 7 0.142 -7.921 -10.774
33 HB2 ARG 7 HB2 ARG 7 -0.058 -6.268 -12.624
34 HB3 ARG 7 HB1 ARG 7 -1.571 -7.124 -12.309
35 HG2 ARG 7 HG2 ARG 7 -2.630 -5.204 -11.790
36 HG3 ARG 7 HG1 ARG 7 -1.366 -4.736 -10.653
37 HD2 ARG 7 HD2 ARG 7 -1.134 -4.431 -13.658
38 HD3 ARG 7 HD1 ARG 7 -1.665 -3.144 -12.578
39 HE ARG 7 HE ARG 7 0.748 -4.084 -11.563
40 HH11 ARG 7 1HH2 ARG 7 -0.484 -2.629 -14.452
41 HH12 ARG 7 2HH2 ARG 7 0.994 -1.817 -14.843
42 HH21 ARG 7 1HH1 ARG 7 2.695 -3.019 -12.071
43 HH22 ARG 7 2HH1 ARG 7 2.795 -2.038 -13.495
44 H ABA 8 H ABA 8 -0.461 -5.203 -8.754
45 HA ABA 8 HA ABA 8 2.403 -4.470 -8.943
46 HB3 ABA 8 HB1 ABA 8 -0.022 -2.751 -9.100
47 HB2 ABA 8 HB2 ABA 8 1.549 -2.550 -9.861
48 HG1 ABA 8 HG ABA 8 2.128 -2.153 -7.123
49 H ARG 9 H ARG 9 2.800 -5.872 -7.180
50 HA ARG 9 HA ARG 9 1.516 -5.206 -4.637
51 HB2 ARG 9 HB2 ARG 9 1.885 -7.614 -5.538
52 HB3 ARG 9 HB1 ARG 9 3.560 -7.375 -5.028
53 HG2 ARG 9 HG2 ARG 9 2.820 -6.864 -2.750
54 HG3 ARG 9 HG1 ARG 9 1.139 -7.019 -3.250
55 HD2 ARG 9 HD2 ARG 9 1.569 -9.383 -3.880
56 HD3 ARG 9 HD1 ARG 9 3.225 -9.215 -3.304
57 HE ARG 9 HE ARG 9 1.482 -8.457 -1.226
58 HH11 ARG 9 1HH2 ARG 9 2.410 -11.223 -3.087
59 HH12 ARG 9 2HH2 ARG 9 2.080 -12.359 -1.821
60 HH21 ARG 9 1HH1 ARG 9 1.047 -9.940 0.439
61 HH22 ARG 9 2HH1 ARG 9 1.308 -11.631 0.175
62 H TYR 10 H TYR 10 3.253 -3.292 -5.763
63 HA TYR 10 HA TYR 10 5.782 -3.511 -4.322
64 HB2 TYR 10 HB2 TYR 10 4.706 -1.311 -6.107
65 HB3 TYR 10 HB1 TYR 10 6.335 -1.378 -5.429
66 HD1 TYR 10 HD2 TYR 10 7.940 -3.108 -6.159
67 HD2 TYR 10 HD1 TYR 10 4.046 -2.752 -7.937
68 HE1 TYR 10 HE2 TYR 10 8.672 -4.537 -8.049
69 HE2 TYR 10 HE1 TYR 10 4.777 -4.182 -9.826
70 HH TYR 10 HH TYR 10 7.181 -6.159 -9.809
71 H ARG 11 H ARG 11 6.162 -0.772 -3.758
72 HA ARG 11 HA ARG 11 5.292 -0.533 -1.166
73 HB2 ARG 11 HB2 ARG 11 6.105 1.484 -3.221
74 HB3 ARG 11 HB1 ARG 11 5.517 2.031 -1.653
75 HG2 ARG 11 HG2 ARG 11 7.580 -0.134 -1.710
76 HG3 ARG 11 HG1 ARG 11 8.090 1.518 -2.037
77 HD2 ARG 11 HD2 ARG 11 6.452 0.748 0.386
78 HD3 ARG 11 HD1 ARG 11 8.209 0.843 0.401
79 HE ARG 11 HE ARG 11 7.262 3.265 -0.623
80 HH11 ARG 11 1HH2 ARG 11 7.101 1.386 2.279
81 HH12 ARG 11 2HH2 ARG 11 6.947 2.759 3.323
82 HH21 ARG 11 1HH1 ARG 11 7.062 5.071 0.741
83 HH22 ARG 11 2HH1 ARG 11 6.925 4.845 2.453
84 H CYS 12 H CYS 12 3.663 0.633 -0.146
85 HA CYS 12 HA CYS 12 1.529 1.926 -1.521
86 HB2 CYS 12 HB2 CYS 12 0.950 -0.310 -2.242
87 HB3 CYS 12 HB1 CYS 12 1.034 -0.904 -0.586
88 H ARG 13 H ARG 13 1.443 -0.290 1.242
89 HA ARG 13 HA ARG 13 0.345 1.796 2.941
90 HB2 ARG 13 HB2 ARG 13 1.158 -0.963 3.853
91 HB3 ARG 13 HB1 ARG 13 -0.109 0.084 4.498
92 HG2 ARG 13 HG2 ARG 13 -0.144 -1.246 1.770
93 HG3 ARG 13 HG1 ARG 13 -1.090 -1.753 3.166
94 HD2 ARG 13 HD2 ARG 13 -1.311 0.871 1.670
95 HD3 ARG 13 HD1 ARG 13 -2.512 -0.404 1.759
96 HE ARG 13 HE ARG 13 -2.034 0.346 4.380
97 HH11 ARG 13 1HH2 ARG 13 -3.079 1.831 1.434
98 HH12 ARG 13 2HH2 ARG 13 -4.068 3.017 2.220
99 HH21 ARG 13 1HH1 ARG 13 -3.327 1.899 5.418
100 HH22 ARG 13 2HH1 ARG 13 -4.207 3.055 4.476
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -5.363 2.002 -6.591
2 H2 GLY 1 HT2 GLY 1 -5.989 0.622 -7.360
3 H3 GLY 1 HT3 GLY 1 -6.564 2.167 -7.775
4 HA2 GLY 1 HA2 GLY 1 -5.145 1.847 -9.504
5 HA3 GLY 1 HA1 GLY 1 -4.050 2.585 -8.335
6 H ABA 2 H ABA 2 -2.200 1.525 -9.043
7 HA ABA 2 HA ABA 2 -2.083 -1.304 -9.423
8 HB3 ABA 2 HB1 ABA 2 -0.343 0.944 -9.794
9 HB2 ABA 2 HB2 ABA 2 -0.208 -0.667 -10.475
10 HG1 ABA 2 HG ABA 2 1.229 0.392 -8.060
11 H CYS 3 H CYS 3 -1.840 0.817 -6.730
12 HA CYS 3 HA CYS 3 -0.244 -0.746 -4.993
13 HB2 CYS 3 HB2 CYS 3 -2.401 1.293 -4.419
14 HB3 CYS 3 HB1 CYS 3 -1.332 0.606 -3.195
15 H SER 4 H SER 4 -3.718 -0.676 -5.629
16 HA SER 4 HA SER 4 -4.254 -2.678 -3.584
17 HB2 SER 4 HB2 SER 4 -6.581 -2.415 -4.224
18 HB3 SER 4 HB1 SER 4 -5.847 -0.822 -4.058
19 HG SER 4 HG SER 4 -6.133 -2.265 -6.491
20 H ASP 5 H ASP 5 -3.844 -2.507 -7.055
21 HA ASP 5 HA ASP 5 -4.976 -5.046 -7.654
22 HB2 ASP 5 HB2 ASP 5 -3.006 -3.367 -9.195
23 HB3 ASP 5 HB1 ASP 5 -3.823 -4.778 -9.838
24 HA PRO 6 HA PRO 6 -1.654 -7.733 -6.431
25 HB2 PRO 6 HB2 PRO 6 -2.087 -9.835 -8.144
26 HB3 PRO 6 HB1 PRO 6 -3.093 -9.508 -6.722
27 HG2 PRO 6 HG2 PRO 6 -3.611 -8.911 -9.579
28 HG3 PRO 6 HG1 PRO 6 -4.730 -9.443 -8.316
29 HD2 PRO 6 HD2 PRO 6 -4.553 -6.850 -9.172
30 HD3 PRO 6 HD1 PRO 6 -5.079 -7.310 -7.542
31 H ARG 7 H ARG 7 -2.066 -7.166 -9.910
32 HA ARG 7 HA ARG 7 0.431 -8.095 -10.792
33 HB2 ARG 7 HB2 ARG 7 0.023 -6.852 -12.803
34 HB3 ARG 7 HB1 ARG 7 -1.535 -7.462 -12.239
35 HG2 ARG 7 HG2 ARG 7 -1.855 -5.238 -11.058
36 HG3 ARG 7 HG1 ARG 7 -0.435 -4.662 -11.931
37 HD2 ARG 7 HD2 ARG 7 -2.410 -4.032 -13.188
38 HD3 ARG 7 HD1 ARG 7 -1.560 -5.293 -14.076
39 HE ARG 7 HE ARG 7 -3.545 -6.405 -12.342
40 HH11 ARG 7 1HH2 ARG 7 -3.037 -4.735 -15.331
41 HH12 ARG 7 2HH2 ARG 7 -4.463 -5.366 -16.084
42 HH21 ARG 7 1HH1 ARG 7 -5.417 -7.235 -13.324
43 HH22 ARG 7 2HH1 ARG 7 -5.811 -6.781 -14.949
44 H ABA 8 H ABA 8 -0.465 -5.214 -9.097
45 HA ABA 8 HA ABA 8 2.319 -4.244 -9.321
46 HB3 ABA 8 HB1 ABA 8 -0.273 -2.738 -9.356
47 HB2 ABA 8 HB2 ABA 8 1.098 -2.601 -10.449
48 HG1 ABA 8 HG ABA 8 2.196 -1.841 -7.967
49 H ARG 9 H ARG 9 1.734 -6.099 -7.508
50 HA ARG 9 HA ARG 9 0.799 -5.086 -4.998
51 HB2 ARG 9 HB2 ARG 9 0.844 -7.515 -5.759
52 HB3 ARG 9 HB1 ARG 9 2.568 -7.490 -5.387
53 HG2 ARG 9 HG2 ARG 9 2.074 -6.819 -3.074
54 HG3 ARG 9 HG1 ARG 9 0.348 -6.807 -3.438
55 HD2 ARG 9 HD2 ARG 9 0.505 -9.224 -4.045
56 HD3 ARG 9 HD1 ARG 9 2.193 -9.209 -3.542
57 HE ARG 9 HE ARG 9 -0.130 -9.195 -1.805
58 HH11 ARG 9 1HH2 ARG 9 3.234 -8.483 -2.187
59 HH12 ARG 9 2HH2 ARG 9 3.589 -8.584 -0.494
60 HH21 ARG 9 1HH1 ARG 9 0.328 -9.328 0.415
61 HH22 ARG 9 2HH1 ARG 9 1.944 -9.063 0.979
62 H TYR 10 H TYR 10 2.421 -3.151 -5.550
63 HA TYR 10 HA TYR 10 4.990 -3.693 -4.209
64 HB2 TYR 10 HB2 TYR 10 4.141 -1.518 -6.119
65 HB3 TYR 10 HB1 TYR 10 5.640 -1.442 -5.191
66 HD1 TYR 10 HD2 TYR 10 3.794 -3.292 -7.807
67 HD2 TYR 10 HD1 TYR 10 7.510 -2.889 -5.695
68 HE1 TYR 10 HE2 TYR 10 4.897 -4.761 -9.473
69 HE2 TYR 10 HE1 TYR 10 8.616 -4.359 -7.360
70 HH TYR 10 HH TYR 10 7.022 -5.325 -10.301
71 H ARG 11 H ARG 11 5.760 -2.118 -2.681
72 HA ARG 11 HA ARG 11 3.995 -1.497 -0.643
73 HB2 ARG 11 HB2 ARG 11 6.604 -0.164 -1.377
74 HB3 ARG 11 HB1 ARG 11 5.753 0.110 0.141
75 HG2 ARG 11 HG2 ARG 11 5.947 -2.218 0.752
76 HG3 ARG 11 HG1 ARG 11 6.594 -2.628 -0.836
77 HD2 ARG 11 HD2 ARG 11 8.424 -2.476 0.776
78 HD3 ARG 11 HD1 ARG 11 8.550 -1.161 -0.390
79 HE ARG 11 HE ARG 11 7.054 -0.335 1.892
80 HH11 ARG 11 1HH2 ARG 11 10.244 -1.069 0.768
81 HH12 ARG 11 2HH2 ARG 11 11.032 -0.009 1.888
82 HH21 ARG 11 1HH1 ARG 11 8.081 1.058 3.364
83 HH22 ARG 11 2HH1 ARG 11 9.807 1.196 3.357
84 H CYS 12 H CYS 12 2.726 0.211 -0.118
85 HA CYS 12 HA CYS 12 2.722 2.584 -1.855
86 HB2 CYS 12 HB2 CYS 12 0.957 0.698 -2.448
87 HB3 CYS 12 HB1 CYS 12 0.079 1.426 -1.101
88 H ARG 13 H ARG 13 1.718 1.011 1.119
89 HA ARG 13 HA ARG 13 0.778 3.465 2.324
90 HB2 ARG 13 HB2 ARG 13 0.215 0.854 2.802
91 HB3 ARG 13 HB1 ARG 13 1.417 1.148 4.059
92 HG2 ARG 13 HG2 ARG 13 -0.537 1.797 5.150
93 HG3 ARG 13 HG1 ARG 13 0.002 3.332 4.476
94 HD2 ARG 13 HD2 ARG 13 -2.377 3.026 4.004
95 HD3 ARG 13 HD1 ARG 13 -1.462 2.955 2.501
96 HE ARG 13 HE ARG 13 -2.049 0.711 2.298
97 HH11 ARG 13 1HH2 ARG 13 -2.740 1.926 5.464
98 HH12 ARG 13 2HH2 ARG 13 -3.629 0.524 5.959
99 HH21 ARG 13 1HH1 ARG 13 -3.214 -1.131 2.940
100 HH22 ARG 13 2HH1 ARG 13 -3.897 -1.207 4.529
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -4.866 2.552 -7.056
2 H2 GLY 1 HT2 GLY 1 -5.288 0.934 -7.360
3 H3 GLY 1 HT3 GLY 1 -5.857 2.170 -8.377
4 HA2 GLY 1 HA2 GLY 1 -4.156 1.537 -9.683
5 HA3 GLY 1 HA1 GLY 1 -3.247 2.591 -8.598
6 H ABA 2 H ABA 2 -1.338 1.340 -8.850
7 HA ABA 2 HA ABA 2 -1.248 -1.448 -8.392
8 HB3 ABA 2 HB1 ABA 2 0.783 0.733 -8.536
9 HB2 ABA 2 HB2 ABA 2 0.633 -0.700 -9.541
10 HG1 ABA 2 HG ABA 2 1.995 -0.461 -6.858
11 H CYS 3 H CYS 3 -2.142 0.825 -6.314
12 HA CYS 3 HA CYS 3 -0.647 0.266 -3.974
13 HB2 CYS 3 HB2 CYS 3 -3.384 1.459 -4.415
14 HB3 CYS 3 HB1 CYS 3 -2.639 1.324 -2.821
15 H SER 4 H SER 4 -3.620 -1.103 -5.309
16 HA SER 4 HA SER 4 -3.451 -3.250 -3.274
17 HB2 SER 4 HB2 SER 4 -5.895 -3.288 -3.186
18 HB3 SER 4 HB1 SER 4 -5.288 -1.690 -2.760
19 HG SER 4 HG SER 4 -5.774 -0.991 -4.831
20 H ASP 5 H ASP 5 -3.512 -2.487 -6.581
21 HA ASP 5 HA ASP 5 -4.981 -4.693 -7.563
22 HB2 ASP 5 HB2 ASP 5 -2.826 -3.052 -8.865
23 HB3 ASP 5 HB1 ASP 5 -3.840 -4.207 -9.710
24 HA PRO 6 HA PRO 6 -2.008 -7.943 -6.918
25 HB2 PRO 6 HB2 PRO 6 -2.801 -9.727 -8.843
26 HB3 PRO 6 HB1 PRO 6 -3.692 -9.455 -7.336
27 HG2 PRO 6 HG2 PRO 6 -4.235 -8.420 -10.057
28 HG3 PRO 6 HG1 PRO 6 -5.365 -8.981 -8.816
29 HD2 PRO 6 HD2 PRO 6 -4.893 -6.327 -9.322
30 HD3 PRO 6 HD1 PRO 6 -5.392 -6.940 -7.736
31 H ARG 7 H ARG 7 -2.377 -6.502 -10.086
32 HA ARG 7 HA ARG 7 -0.178 -7.747 -11.360
33 HB2 ARG 7 HB2 ARG 7 -0.303 -5.779 -12.909
34 HB3 ARG 7 HB1 ARG 7 -1.839 -6.620 -12.684
35 HG2 ARG 7 HG2 ARG 7 -2.803 -4.845 -11.671
36 HG3 ARG 7 HG1 ARG 7 -1.360 -4.469 -10.727
37 HD2 ARG 7 HD2 ARG 7 -1.596 -3.903 -13.690
38 HD3 ARG 7 HD1 ARG 7 -2.012 -2.723 -12.449
39 HE ARG 7 HE ARG 7 0.548 -3.674 -11.861
40 HH11 ARG 7 1HH2 ARG 7 -1.124 -1.955 -14.360
41 HH12 ARG 7 2HH2 ARG 7 0.262 -1.039 -14.851
42 HH21 ARG 7 1HH1 ARG 7 2.372 -2.472 -12.502
43 HH22 ARG 7 2HH1 ARG 7 2.241 -1.332 -13.800
44 H ABA 8 H ABA 8 -0.389 -5.369 -8.904
45 HA ABA 8 HA ABA 8 2.513 -4.865 -9.177
46 HB3 ABA 8 HB1 ABA 8 0.267 -2.935 -9.011
47 HB2 ABA 8 HB2 ABA 8 1.781 -2.803 -9.887
48 HG1 ABA 8 HG ABA 8 2.635 -2.739 -7.218
49 H ARG 9 H ARG 9 3.025 -6.318 -7.559
50 HA ARG 9 HA ARG 9 1.712 -6.162 -4.969
51 HB2 ARG 9 HB2 ARG 9 2.617 -8.284 -6.163
52 HB3 ARG 9 HB1 ARG 9 4.189 -7.751 -5.563
53 HG2 ARG 9 HG2 ARG 9 3.313 -7.710 -3.264
54 HG3 ARG 9 HG1 ARG 9 1.732 -8.222 -3.854
55 HD2 ARG 9 HD2 ARG 9 2.776 -10.294 -4.758
56 HD3 ARG 9 HD1 ARG 9 4.316 -9.793 -4.065
57 HE ARG 9 HE ARG 9 2.381 -9.781 -2.020
58 HH11 ARG 9 1HH2 ARG 9 4.034 -11.955 -4.146
59 HH12 ARG 9 2HH2 ARG 9 3.969 -13.294 -3.051
60 HH21 ARG 9 1HH1 ARG 9 2.294 -11.534 -0.578
61 HH22 ARG 9 2HH1 ARG 9 2.984 -13.056 -1.031
62 H TYR 10 H TYR 10 2.706 -3.750 -5.393
63 HA TYR 10 HA TYR 10 5.125 -3.610 -3.703
64 HB2 TYR 10 HB2 TYR 10 4.372 -1.844 -6.041
65 HB3 TYR 10 HB1 TYR 10 5.694 -1.507 -4.921
66 HD1 TYR 10 HD2 TYR 10 7.705 -2.886 -4.882
67 HD2 TYR 10 HD1 TYR 10 4.506 -3.713 -7.627
68 HE1 TYR 10 HE2 TYR 10 9.201 -4.381 -6.179
69 HE2 TYR 10 HE1 TYR 10 6.000 -5.205 -8.922
70 HH TYR 10 HH TYR 10 9.348 -5.820 -7.863
71 H ARG 11 H ARG 11 5.300 -1.678 -2.405
72 HA ARG 11 HA ARG 11 2.970 -1.113 -0.941
73 HB2 ARG 11 HB2 ARG 11 5.592 0.378 -1.119
74 HB3 ARG 11 HB1 ARG 11 4.331 0.742 0.058
75 HG2 ARG 11 HG2 ARG 11 4.491 -1.475 1.013
76 HG3 ARG 11 HG1 ARG 11 5.601 -1.989 -0.258
77 HD2 ARG 11 HD2 ARG 11 6.864 -1.456 1.768
78 HD3 ARG 11 HD1 ARG 11 7.236 -0.284 0.508
79 HE ARG 11 HE ARG 11 5.082 0.618 2.163
80 HH11 ARG 11 1HH2 ARG 11 8.512 0.195 1.990
81 HH12 ARG 11 2HH2 ARG 11 8.865 1.483 3.091
82 HH21 ARG 11 1HH1 ARG 11 5.538 2.308 3.609
83 HH22 ARG 11 2HH1 ARG 11 7.182 2.680 4.008
84 H CYS 12 H CYS 12 1.576 0.581 -0.917
85 HA CYS 12 HA CYS 12 0.943 1.849 -3.347
86 HB2 CYS 12 HB2 CYS 12 -0.694 1.438 -1.538
87 HB3 CYS 12 HB1 CYS 12 0.118 2.654 -0.550
88 H ARG 13 H ARG 13 2.525 3.085 -0.430
89 HA ARG 13 HA ARG 13 3.120 5.610 -1.788
90 HB2 ARG 13 HB2 ARG 13 4.205 6.077 0.535
91 HB3 ARG 13 HB1 ARG 13 2.445 6.047 0.401
92 HG2 ARG 13 HG2 ARG 13 2.404 3.719 1.181
93 HG3 ARG 13 HG1 ARG 13 4.166 3.706 1.274
94 HD2 ARG 13 HD2 ARG 13 2.346 5.551 2.840
95 HD3 ARG 13 HD1 ARG 13 3.111 4.102 3.469
96 HE ARG 13 HE ARG 13 5.232 5.177 3.322
97 HH11 ARG 13 1HH2 ARG 13 2.571 7.193 2.399
98 HH12 ARG 13 2HH2 ARG 13 3.464 8.664 2.559
99 HH21 ARG 13 1HH1 ARG 13 6.400 7.101 3.531
100 HH22 ARG 13 2HH1 ARG 13 5.628 8.615 3.197
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -4.040 3.137 -9.937
2 H2 GLY 1 HT2 GLY 1 -2.785 2.676 -8.888
3 H3 GLY 1 HT3 GLY 1 -3.982 3.760 -8.361
4 HA2 GLY 1 HA2 GLY 1 -4.961 1.985 -7.466
5 HA3 GLY 1 HA1 GLY 1 -5.464 1.649 -9.121
6 H ABA 2 H ABA 2 -2.184 1.546 -9.042
7 HA ABA 2 HA ABA 2 -2.078 -1.283 -9.390
8 HB3 ABA 2 HB1 ABA 2 -0.313 0.955 -9.758
9 HB2 ABA 2 HB2 ABA 2 -0.207 -0.654 -10.462
10 HG1 ABA 2 HG ABA 2 1.246 0.375 -8.041
11 H CYS 3 H CYS 3 -1.838 0.832 -6.703
12 HA CYS 3 HA CYS 3 -0.222 -0.681 -4.956
13 HB2 CYS 3 HB2 CYS 3 -2.429 1.317 -4.429
14 HB3 CYS 3 HB1 CYS 3 -1.374 0.651 -3.179
15 H SER 4 H SER 4 -3.702 -0.701 -5.587
16 HA SER 4 HA SER 4 -4.162 -2.737 -3.552
17 HB2 SER 4 HB2 SER 4 -6.508 -2.490 -4.131
18 HB3 SER 4 HB1 SER 4 -5.785 -0.896 -3.936
19 HG SER 4 HG SER 4 -6.469 -2.280 -6.304
20 H ASP 5 H ASP 5 -3.818 -2.523 -7.032
21 HA ASP 5 HA ASP 5 -4.981 -5.035 -7.644
22 HB2 ASP 5 HB2 ASP 5 -2.992 -3.374 -9.177
23 HB3 ASP 5 HB1 ASP 5 -3.835 -4.765 -9.832
24 HA PRO 6 HA PRO 6 -1.654 -7.745 -6.461
25 HB2 PRO 6 HB2 PRO 6 -2.090 -9.838 -8.182
26 HB3 PRO 6 HB1 PRO 6 -3.087 -9.524 -6.752
27 HG2 PRO 6 HG2 PRO 6 -3.626 -8.920 -9.597
28 HG3 PRO 6 HG1 PRO 6 -4.735 -9.451 -8.327
29 HD2 PRO 6 HD2 PRO 6 -4.566 -6.857 -9.188
30 HD3 PRO 6 HD1 PRO 6 -5.084 -7.315 -7.558
31 H ARG 7 H ARG 7 -2.077 -7.123 -9.928
32 HA ARG 7 HA ARG 7 0.412 -8.062 -10.830
33 HB2 ARG 7 HB2 ARG 7 -0.002 -6.816 -12.830
34 HB3 ARG 7 HB1 ARG 7 -1.564 -7.411 -12.260
35 HG2 ARG 7 HG2 ARG 7 -1.836 -5.181 -11.061
36 HG3 ARG 7 HG1 ARG 7 -0.432 -4.624 -11.970
37 HD2 ARG 7 HD2 ARG 7 -2.394 -3.971 -13.207
38 HD3 ARG 7 HD1 ARG 7 -1.628 -5.293 -14.083
39 HE ARG 7 HE ARG 7 -3.586 -6.295 -12.270
40 HH11 ARG 7 1HH2 ARG 7 -3.165 -4.628 -15.274
41 HH12 ARG 7 2HH2 ARG 7 -4.657 -5.187 -15.952
42 HH21 ARG 7 1HH1 ARG 7 -5.545 -7.032 -13.153
43 HH22 ARG 7 2HH1 ARG 7 -6.005 -6.548 -14.752
44 H ABA 8 H ABA 8 -0.465 -5.224 -9.092
45 HA ABA 8 HA ABA 8 2.315 -4.251 -9.310
46 HB3 ABA 8 HB1 ABA 8 -0.280 -2.737 -9.341
47 HB2 ABA 8 HB2 ABA 8 1.093 -2.602 -10.422
48 HG1 ABA 8 HG ABA 8 2.199 -1.838 -7.957
49 H ARG 9 H ARG 9 1.722 -6.137 -7.531
50 HA ARG 9 HA ARG 9 0.814 -5.168 -5.003
51 HB2 ARG 9 HB2 ARG 9 0.861 -7.581 -5.781
52 HB3 ARG 9 HB1 ARG 9 2.600 -7.544 -5.481
53 HG2 ARG 9 HG2 ARG 9 2.201 -6.929 -3.133
54 HG3 ARG 9 HG1 ARG 9 0.463 -6.914 -3.427
55 HD2 ARG 9 HD2 ARG 9 0.513 -9.297 -3.989
56 HD3 ARG 9 HD1 ARG 9 2.261 -9.329 -3.773
57 HE ARG 9 HE ARG 9 1.935 -9.313 -1.457
58 HH11 ARG 9 1HH2 ARG 9 -0.997 -8.665 -3.178
59 HH12 ARG 9 2HH2 ARG 9 -2.012 -8.818 -1.782
60 HH21 ARG 9 1HH1 ARG 9 0.612 -9.515 0.376
61 HH22 ARG 9 2HH1 ARG 9 -1.101 -9.299 0.230
62 H TYR 10 H TYR 10 2.353 -3.210 -5.456
63 HA TYR 10 HA TYR 10 4.947 -3.724 -4.135
64 HB2 TYR 10 HB2 TYR 10 4.130 -1.581 -6.098
65 HB3 TYR 10 HB1 TYR 10 5.624 -1.510 -5.160
66 HD1 TYR 10 HD1 TYR 10 7.428 -3.132 -5.532
67 HD2 TYR 10 HD2 TYR 10 3.828 -3.231 -7.865
68 HE1 TYR 10 HE1 TYR 10 8.531 -4.632 -7.170
69 HE2 TYR 10 HE2 TYR 10 4.927 -4.730 -9.505
70 HH TYR 10 HH TYR 10 6.727 -6.059 -9.856
71 H ARG 11 H ARG 11 5.688 -2.140 -2.627
72 HA ARG 11 HA ARG 11 3.884 -1.458 -0.641
73 HB2 ARG 11 HB2 ARG 11 6.542 -0.221 -1.358
74 HB3 ARG 11 HB1 ARG 11 5.652 0.194 0.105
75 HG2 ARG 11 HG2 ARG 11 5.620 -2.263 0.683
76 HG3 ARG 11 HG1 ARG 11 6.705 -2.530 -0.678
77 HD2 ARG 11 HD2 ARG 11 7.277 -0.652 1.628
78 HD3 ARG 11 HD1 ARG 11 7.910 -2.290 1.502
79 HE ARG 11 HE ARG 11 8.749 0.024 -0.065
80 HH11 ARG 11 1HH2 ARG 11 8.739 -3.408 0.382
81 HH12 ARG 11 2HH2 ARG 11 10.156 -3.674 -0.575
82 HH21 ARG 11 1HH1 ARG 11 10.609 -0.319 -1.322
83 HH22 ARG 11 2HH1 ARG 11 11.214 -1.927 -1.541
84 H CYS 12 H CYS 12 2.725 0.313 -0.115
85 HA CYS 12 HA CYS 12 2.707 2.596 -1.963
86 HB2 CYS 12 HB2 CYS 12 0.885 0.756 -2.422
87 HB3 CYS 12 HB1 CYS 12 0.083 1.507 -1.041
88 H ARG 13 H ARG 13 1.797 1.219 1.137
89 HA ARG 13 HA ARG 13 1.471 3.950 2.217
90 HB2 ARG 13 HB2 ARG 13 -0.550 2.713 2.562
91 HB3 ARG 13 HB1 ARG 13 0.339 1.292 3.114
92 HG2 ARG 13 HG2 ARG 13 0.905 3.746 4.656
93 HG3 ARG 13 HG1 ARG 13 -0.755 3.177 4.780
94 HD2 ARG 13 HD2 ARG 13 -0.056 1.016 5.544
95 HD3 ARG 13 HD1 ARG 13 1.628 1.351 5.159
96 HE ARG 13 HE ARG 13 0.702 3.277 7.012
97 HH11 ARG 13 1HH2 ARG 13 1.450 -0.090 6.729
98 HH12 ARG 13 2HH2 ARG 13 1.900 -0.270 8.393
99 HH21 ARG 13 1HH1 ARG 13 1.289 3.047 9.194
100 HH22 ARG 13 2HH1 ARG 13 1.808 1.505 9.788
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -5.869 2.094 -7.175
2 H2 GLY 1 HT2 GLY 1 -5.881 0.943 -8.425
3 H3 GLY 1 HT3 GLY 1 -6.208 2.576 -8.766
4 HA2 GLY 1 HA2 GLY 1 -4.067 2.698 -9.346
5 HA3 GLY 1 HA1 GLY 1 -3.791 2.753 -7.604
6 H ABA 2 H ABA 2 -1.772 1.751 -9.027
7 HA ABA 2 HA ABA 2 -1.933 -1.059 -9.505
8 HB3 ABA 2 HB1 ABA 2 -0.082 0.975 -10.042
9 HB2 ABA 2 HB2 ABA 2 0.079 -0.718 -10.469
10 HG1 ABA 2 HG ABA 2 1.452 0.695 -8.212
11 H CYS 3 H CYS 3 -0.875 0.901 -6.749
12 HA CYS 3 HA CYS 3 0.189 -1.053 -5.100
13 HB2 CYS 3 HB2 CYS 3 0.212 0.635 -3.623
14 HB3 CYS 3 HB1 CYS 3 -0.674 1.601 -4.800
15 H SER 4 H SER 4 -3.225 -0.176 -5.528
16 HA SER 4 HA SER 4 -4.251 -2.047 -3.665
17 HB2 SER 4 HB2 SER 4 -5.539 -0.737 -6.068
18 HB3 SER 4 HB1 SER 4 -6.410 -1.687 -4.868
19 HG SER 4 HG SER 4 -5.061 0.775 -4.580
20 H ASP 5 H ASP 5 -3.618 -2.211 -7.143
21 HA ASP 5 HA ASP 5 -4.799 -4.760 -7.531
22 HB2 ASP 5 HB2 ASP 5 -2.751 -3.230 -9.128
23 HB3 ASP 5 HB1 ASP 5 -3.453 -4.752 -9.660
24 HA PRO 6 HA PRO 6 -1.680 -7.441 -5.867
25 HB2 PRO 6 HB2 PRO 6 -2.072 -9.657 -7.440
26 HB3 PRO 6 HB1 PRO 6 -3.138 -9.200 -6.099
27 HG2 PRO 6 HG2 PRO 6 -3.499 -8.820 -9.016
28 HG3 PRO 6 HG1 PRO 6 -4.695 -9.207 -7.771
29 HD2 PRO 6 HD2 PRO 6 -4.397 -6.704 -8.827
30 HD3 PRO 6 HD1 PRO 6 -4.997 -7.004 -7.184
31 H ARG 7 H ARG 7 -1.772 -6.788 -9.296
32 HA ARG 7 HA ARG 7 0.761 -7.980 -9.918
33 HB2 ARG 7 HB2 ARG 7 0.481 -7.049 -12.089
34 HB3 ARG 7 HB1 ARG 7 -1.135 -7.510 -11.551
35 HG2 ARG 7 HG2 ARG 7 -1.382 -5.116 -10.694
36 HG3 ARG 7 HG1 ARG 7 0.080 -4.743 -11.605
37 HD2 ARG 7 HD2 ARG 7 -1.805 -4.228 -13.020
38 HD3 ARG 7 HD1 ARG 7 -1.042 -5.685 -13.651
39 HE ARG 7 HE ARG 7 -3.145 -6.299 -11.798
40 HH11 ARG 7 1HH2 ARG 7 -2.413 -5.326 -15.038
41 HH12 ARG 7 2HH2 ARG 7 -3.858 -6.000 -15.714
42 HH21 ARG 7 1HH1 ARG 7 -5.043 -7.184 -12.678
43 HH22 ARG 7 2HH1 ARG 7 -5.347 -7.052 -14.378
44 H ABA 8 H ABA 8 -0.204 -5.064 -8.421
45 HA ABA 8 HA ABA 8 2.566 -4.059 -8.596
46 HB3 ABA 8 HB1 ABA 8 0.029 -2.566 -9.157
47 HB2 ABA 8 HB2 ABA 8 1.482 -2.652 -10.139
48 HG1 ABA 8 HG ABA 8 2.472 -1.480 -7.813
49 H ARG 9 H ARG 9 1.176 -5.565 -6.538
50 HA ARG 9 HA ARG 9 0.320 -3.912 -4.413
51 HB2 ARG 9 HB2 ARG 9 0.429 -5.849 -3.065
52 HB3 ARG 9 HB1 ARG 9 0.035 -6.440 -4.676
53 HG2 ARG 9 HG2 ARG 9 2.553 -6.749 -5.020
54 HG3 ARG 9 HG1 ARG 9 2.712 -6.509 -3.279
55 HD2 ARG 9 HD2 ARG 9 2.552 -8.872 -3.629
56 HD3 ARG 9 HD1 ARG 9 1.002 -8.348 -2.973
57 HE ARG 9 HE ARG 9 0.995 -8.330 -5.837
58 HH11 ARG 9 1HH2 ARG 9 0.795 -10.333 -3.022
59 HH12 ARG 9 2HH2 ARG 9 -0.136 -11.569 -3.799
60 HH21 ARG 9 1HH1 ARG 9 -0.226 -9.948 -6.863
61 HH22 ARG 9 2HH1 ARG 9 -0.714 -11.351 -5.973
62 H TYR 10 H TYR 10 3.277 -4.004 -5.852
63 HA TYR 10 HA TYR 10 5.079 -4.046 -3.674
64 HB2 TYR 10 HB2 TYR 10 5.354 -2.604 -6.323
65 HB3 TYR 10 HB1 TYR 10 6.669 -3.008 -5.217
66 HD1 TYR 10 HD2 TYR 10 6.823 -5.551 -4.520
67 HD2 TYR 10 HD1 TYR 10 4.820 -4.102 -8.031
68 HE1 TYR 10 HE2 TYR 10 7.000 -7.800 -5.548
69 HE2 TYR 10 HE1 TYR 10 4.995 -6.350 -9.060
70 HH TYR 10 HH TYR 10 6.651 -9.020 -7.371
71 H ARG 11 H ARG 11 3.333 -1.393 -5.269
72 HA ARG 11 HA ARG 11 4.577 0.724 -3.849
73 HB2 ARG 11 HB2 ARG 11 1.902 0.525 -5.231
74 HB3 ARG 11 HB1 ARG 11 2.511 2.024 -4.531
75 HG2 ARG 11 HG2 ARG 11 4.644 1.552 -5.954
76 HG3 ARG 11 HG1 ARG 11 3.604 0.451 -6.857
77 HD2 ARG 11 HD2 ARG 11 1.971 2.390 -7.099
78 HD3 ARG 11 HD1 ARG 11 3.238 3.428 -6.460
79 HE ARG 11 HE ARG 11 4.284 1.917 -8.609
80 HH11 ARG 11 1HH2 ARG 11 2.042 4.455 -7.898
81 HH12 ARG 11 2HH2 ARG 11 2.226 5.235 -9.434
82 HH21 ARG 11 1HH1 ARG 11 4.529 2.934 -10.626
83 HH22 ARG 11 2HH1 ARG 11 3.634 4.373 -10.978
84 H CYS 12 H CYS 12 1.690 -1.203 -3.202
85 HA CYS 12 HA CYS 12 1.168 0.276 -0.736
86 HB2 CYS 12 HB2 CYS 12 -0.359 -1.453 -2.517
87 HB3 CYS 12 HB1 CYS 12 -0.582 -1.875 -0.819
88 H ARG 13 H ARG 13 1.521 -3.162 -1.598
89 HA ARG 13 HA ARG 13 2.534 -3.667 1.126
90 HB2 ARG 13 HB2 ARG 13 0.987 -5.253 -0.843
91 HB3 ARG 13 HB1 ARG 13 2.190 -6.142 0.089
92 HG2 ARG 13 HG2 ARG 13 0.045 -6.170 1.269
93 HG3 ARG 13 HG1 ARG 13 1.213 -5.216 2.178
94 HD2 ARG 13 HD2 ARG 13 0.262 -3.156 1.411
95 HD3 ARG 13 HD1 ARG 13 -0.720 -3.983 0.207
96 HE ARG 13 HE ARG 13 -1.489 -5.030 2.655
97 HH11 ARG 13 1HH2 ARG 13 -1.330 -1.934 1.118
98 HH12 ARG 13 2HH2 ARG 13 -2.687 -1.284 1.977
99 HH21 ARG 13 1HH1 ARG 13 -3.270 -4.185 3.785
100 HH22 ARG 13 2HH1 ARG 13 -3.785 -2.559 3.487
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -5.536 0.962 -7.652
2 H2 GLY 1 HT2 GLY 1 -6.342 2.029 -8.701
3 H3 GLY 1 HT3 GLY 1 -5.387 2.638 -7.435
4 HA2 GLY 1 HA2 GLY 1 -4.619 2.014 -10.065
5 HA3 GLY 1 HA1 GLY 1 -3.641 2.708 -8.769
6 H ABA 2 H ABA 2 -1.805 1.478 -9.358
7 HA ABA 2 HA ABA 2 -1.876 -1.369 -9.565
8 HB3 ABA 2 HB1 ABA 2 0.070 0.735 -9.849
9 HB2 ABA 2 HB2 ABA 2 0.095 -0.889 -10.517
10 HG1 ABA 2 HG ABA 2 1.451 0.076 -8.021
11 H CYS 3 H CYS 3 -1.720 0.861 -6.952
12 HA CYS 3 HA CYS 3 -0.454 -0.730 -4.993
13 HB2 CYS 3 HB2 CYS 3 -2.439 1.542 -4.821
14 HB3 CYS 3 HB1 CYS 3 -1.714 0.796 -3.402
15 H SER 4 H SER 4 -3.828 -0.405 -5.988
16 HA SER 4 HA SER 4 -4.738 -2.272 -3.953
17 HB2 SER 4 HB2 SER 4 -6.949 -1.860 -4.855
18 HB3 SER 4 HB1 SER 4 -6.107 -0.321 -4.691
19 HG SER 4 HG SER 4 -7.240 -1.128 -6.814
20 H ASP 5 H ASP 5 -3.857 -2.335 -7.336
21 HA ASP 5 HA ASP 5 -5.144 -4.830 -7.881
22 HB2 ASP 5 HB2 ASP 5 -3.005 -3.402 -9.426
23 HB3 ASP 5 HB1 ASP 5 -3.969 -4.759 -10.000
24 HA PRO 6 HA PRO 6 -1.939 -7.370 -5.869
25 HB2 PRO 6 HB2 PRO 6 -2.949 -9.448 -7.758
26 HB3 PRO 6 HB1 PRO 6 -2.760 -9.520 -5.995
27 HG2 PRO 6 HG2 PRO 6 -5.150 -9.276 -7.147
28 HG3 PRO 6 HG1 PRO 6 -4.767 -8.498 -5.601
29 HD2 PRO 6 HD2 PRO 6 -5.055 -7.273 -8.305
30 HD3 PRO 6 HD1 PRO 6 -5.380 -6.595 -6.705
31 H ARG 7 H ARG 7 -2.426 -7.172 -9.352
32 HA ARG 7 HA ARG 7 -0.092 -8.462 -10.219
33 HB2 ARG 7 HB2 ARG 7 -0.470 -7.422 -12.311
34 HB3 ARG 7 HB1 ARG 7 -2.073 -7.652 -11.605
35 HG2 ARG 7 HG2 ARG 7 -1.773 -5.277 -10.631
36 HG3 ARG 7 HG1 ARG 7 -0.460 -5.111 -11.796
37 HD2 ARG 7 HD2 ARG 7 -3.400 -5.427 -12.282
38 HD3 ARG 7 HD1 ARG 7 -2.255 -4.331 -13.052
39 HE ARG 7 HE ARG 7 -2.752 -7.115 -13.767
40 HH11 ARG 7 1HH2 ARG 7 -0.756 -4.298 -14.031
41 HH12 ARG 7 2HH2 ARG 7 -0.014 -4.796 -15.513
42 HH21 ARG 7 1HH1 ARG 7 -1.787 -7.768 -15.717
43 HH22 ARG 7 2HH1 ARG 7 -0.597 -6.759 -16.467
44 H ABA 8 H ABA 8 -0.595 -5.312 -8.838
45 HA ABA 8 HA ABA 8 2.255 -4.670 -9.311
46 HB3 ABA 8 HB1 ABA 8 -0.212 -2.988 -9.300
47 HB2 ABA 8 HB2 ABA 8 1.195 -2.921 -10.356
48 HG1 ABA 8 HG ABA 8 2.239 -2.186 -7.833
49 H ARG 9 H ARG 9 3.001 -5.755 -7.483
50 HA ARG 9 HA ARG 9 1.919 -5.102 -4.862
51 HB2 ARG 9 HB2 ARG 9 4.240 -6.834 -5.736
52 HB3 ARG 9 HB1 ARG 9 3.732 -6.618 -4.058
53 HG2 ARG 9 HG2 ARG 9 1.543 -7.541 -4.541
54 HG3 ARG 9 HG1 ARG 9 1.910 -7.601 -6.266
55 HD2 ARG 9 HD2 ARG 9 2.198 -9.828 -5.304
56 HD3 ARG 9 HD1 ARG 9 3.769 -9.188 -5.780
57 HE ARG 9 HE ARG 9 3.186 -8.570 -3.051
58 HH11 ARG 9 1HH2 ARG 9 4.169 -11.085 -5.216
59 HH12 ARG 9 2HH2 ARG 9 5.047 -11.967 -4.011
60 HH21 ARG 9 1HH1 ARG 9 4.335 -9.722 -1.466
61 HH22 ARG 9 2HH1 ARG 9 5.142 -11.196 -1.890
62 H TYR 10 H TYR 10 2.496 -2.766 -5.485
63 HA TYR 10 HA TYR 10 5.256 -1.991 -5.289
64 HB2 TYR 10 HB2 TYR 10 2.696 -0.696 -5.809
65 HB3 TYR 10 HB1 TYR 10 3.721 0.269 -4.749
66 HD1 TYR 10 HD1 TYR 10 4.386 -2.027 -7.647
67 HD2 TYR 10 HD2 TYR 10 4.902 1.883 -5.943
68 HE1 TYR 10 HE1 TYR 10 5.763 -1.359 -9.595
69 HE2 TYR 10 HE2 TYR 10 6.280 2.548 -7.891
70 HH TYR 10 HH TYR 10 7.747 1.265 -9.630
71 H ARG 11 H ARG 11 5.331 0.109 -3.602
72 HA ARG 11 HA ARG 11 5.797 -1.069 -1.093
73 HB2 ARG 11 HB2 ARG 11 5.460 1.824 -1.904
74 HB3 ARG 11 HB1 ARG 11 5.950 1.315 -0.288
75 HG2 ARG 11 HG2 ARG 11 7.920 0.203 -1.175
76 HG3 ARG 11 HG1 ARG 11 7.404 0.531 -2.830
77 HD2 ARG 11 HD2 ARG 11 9.094 2.163 -2.165
78 HD3 ARG 11 HD1 ARG 11 7.539 2.967 -2.366
79 HE ARG 11 HE ARG 11 7.895 2.150 0.340
80 HH11 ARG 11 1HH2 ARG 11 8.929 4.448 -2.031
81 HH12 ARG 11 2HH2 ARG 11 9.301 5.683 -0.874
82 HH21 ARG 11 1HH1 ARG 11 8.379 3.764 1.864
83 HH22 ARG 11 2HH1 ARG 11 8.990 5.295 1.331
84 H CYS 12 H CYS 12 3.048 0.685 -2.397
85 HA CYS 12 HA CYS 12 1.511 1.340 -0.281
86 HB2 CYS 12 HB2 CYS 12 -0.051 -0.260 -2.177
87 HB3 CYS 12 HB1 CYS 12 -0.181 1.453 -1.765
88 H ARG 13 H ARG 13 2.248 -1.916 -1.346
89 HA ARG 13 HA ARG 13 0.836 -2.964 1.035
90 HB2 ARG 13 HB2 ARG 13 -0.353 -3.773 -0.879
91 HB3 ARG 13 HB1 ARG 13 1.145 -4.170 -1.722
92 HG2 ARG 13 HG2 ARG 13 0.861 -5.473 0.913
93 HG3 ARG 13 HG1 ARG 13 -0.343 -5.962 -0.276
94 HD2 ARG 13 HD2 ARG 13 1.327 -6.649 -1.835
95 HD3 ARG 13 HD1 ARG 13 2.613 -5.884 -0.909
96 HE ARG 13 HE ARG 13 1.326 -8.440 -0.326
97 HH11 ARG 13 1HH2 ARG 13 3.352 -5.834 0.716
98 HH12 ARG 13 2HH2 ARG 13 4.128 -6.753 1.960
99 HH21 ARG 13 1HH1 ARG 13 2.341 -9.650 1.307
100 HH22 ARG 13 2HH1 ARG 13 3.556 -8.913 2.296
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -4.039 3.519 -6.580
2 H2 GLY 1 HT2 GLY 1 -3.067 4.652 -7.392
3 H3 GLY 1 HT3 GLY 1 -2.355 3.315 -6.622
4 HA2 GLY 1 HA2 GLY 1 -4.299 2.422 -8.470
5 HA3 GLY 1 HA1 GLY 1 -3.151 3.501 -9.263
6 H ABA 2 H ABA 2 -3.541 0.496 -9.330
7 HA ABA 2 HA ABA 2 -2.193 -1.339 -9.610
8 HB3 ABA 2 HB1 ABA 2 -0.452 0.894 -10.018
9 HB2 ABA 2 HB2 ABA 2 -0.304 -0.735 -10.658
10 HG1 ABA 2 HG ABA 2 1.120 0.432 -8.285
11 H CYS 3 H CYS 3 -1.489 0.747 -6.836
12 HA CYS 3 HA CYS 3 -0.031 -1.062 -5.286
13 HB2 CYS 3 HB2 CYS 3 -1.935 1.160 -4.520
14 HB3 CYS 3 HB1 CYS 3 -0.906 0.303 -3.374
15 H SER 4 H SER 4 -3.519 -0.520 -5.570
16 HA SER 4 HA SER 4 -4.243 -2.476 -3.620
17 HB2 SER 4 HB2 SER 4 -5.832 -1.171 -5.835
18 HB3 SER 4 HB1 SER 4 -6.525 -2.234 -4.614
19 HG SER 4 HG SER 4 -5.843 -0.778 -3.034
20 H ASP 5 H ASP 5 -3.941 -2.512 -7.154
21 HA ASP 5 HA ASP 5 -5.003 -5.111 -7.496
22 HB2 ASP 5 HB2 ASP 5 -3.230 -3.442 -9.261
23 HB3 ASP 5 HB1 ASP 5 -3.942 -4.970 -9.761
24 HA PRO 6 HA PRO 6 -1.514 -7.583 -6.294
25 HB2 PRO 6 HB2 PRO 6 -1.944 -9.810 -7.852
26 HB3 PRO 6 HB1 PRO 6 -2.864 -9.439 -6.385
27 HG2 PRO 6 HG2 PRO 6 -3.606 -9.054 -9.221
28 HG3 PRO 6 HG1 PRO 6 -4.606 -9.549 -7.849
29 HD2 PRO 6 HD2 PRO 6 -4.632 -7.015 -8.876
30 HD3 PRO 6 HD1 PRO 6 -4.997 -7.380 -7.182
31 H ARG 7 H ARG 7 -2.131 -7.114 -9.736
32 HA ARG 7 HA ARG 7 0.314 -8.053 -10.748
33 HB2 ARG 7 HB2 ARG 7 -0.226 -6.878 -12.755
34 HB3 ARG 7 HB1 ARG 7 -1.756 -7.442 -12.075
35 HG2 ARG 7 HG2 ARG 7 -1.924 -5.166 -10.925
36 HG3 ARG 7 HG1 ARG 7 -0.591 -4.657 -11.960
37 HD2 ARG 7 HD2 ARG 7 -2.656 -4.037 -13.055
38 HD3 ARG 7 HD1 ARG 7 -1.945 -5.377 -13.950
39 HE ARG 7 HE ARG 7 -3.759 -6.335 -11.967
40 HH11 ARG 7 1HH2 ARG 7 -3.560 -4.777 -15.050
41 HH12 ARG 7 2HH2 ARG 7 -5.089 -5.372 -15.605
42 HH21 ARG 7 1HH1 ARG 7 -5.765 -7.120 -12.687
43 HH22 ARG 7 2HH1 ARG 7 -6.337 -6.699 -14.267
44 H ABA 8 H ABA 8 -0.494 -5.226 -8.969
45 HA ABA 8 HA ABA 8 2.274 -4.256 -9.299
46 HB3 ABA 8 HB1 ABA 8 -0.307 -2.741 -9.513
47 HB2 ABA 8 HB2 ABA 8 1.114 -2.661 -10.536
48 HG1 ABA 8 HG ABA 8 2.137 -1.738 -8.108
49 H ARG 9 H ARG 9 1.664 -6.002 -7.406
50 HA ARG 9 HA ARG 9 0.732 -4.842 -4.960
51 HB2 ARG 9 HB2 ARG 9 0.720 -7.309 -5.618
52 HB3 ARG 9 HB1 ARG 9 2.438 -7.306 -5.218
53 HG2 ARG 9 HG2 ARG 9 1.953 -6.581 -2.939
54 HG3 ARG 9 HG1 ARG 9 0.238 -6.438 -3.322
55 HD2 ARG 9 HD2 ARG 9 0.547 -8.542 -2.194
56 HD3 ARG 9 HD1 ARG 9 0.242 -8.892 -3.894
57 HE ARG 9 HE ARG 9 3.030 -8.680 -3.487
58 HH11 ARG 9 1HH2 ARG 9 0.315 -10.676 -2.704
59 HH12 ARG 9 2HH2 ARG 9 1.242 -12.135 -2.596
60 HH21 ARG 9 1HH1 ARG 9 4.253 -10.589 -3.348
61 HH22 ARG 9 2HH1 ARG 9 3.472 -12.085 -2.960
62 H TYR 10 H TYR 10 2.443 -3.024 -5.653
63 HA TYR 10 HA TYR 10 5.022 -3.557 -4.367
64 HB2 TYR 10 HB2 TYR 10 4.041 -1.356 -6.179
65 HB3 TYR 10 HB1 TYR 10 5.552 -1.219 -5.274
66 HD1 TYR 10 HD1 TYR 10 3.748 -3.165 -7.865
67 HD2 TYR 10 HD2 TYR 10 7.495 -2.497 -5.877
68 HE1 TYR 10 HE1 TYR 10 4.901 -4.532 -9.582
69 HE2 TYR 10 HE2 TYR 10 8.649 -3.865 -7.593
70 HH TYR 10 HH TYR 10 8.437 -4.905 -9.560
71 H ARG 11 H ARG 11 5.878 -1.910 -2.903
72 HA ARG 11 HA ARG 11 4.322 -1.484 -0.677
73 HB2 ARG 11 HB2 ARG 11 6.636 0.159 -1.706
74 HB3 ARG 11 HB1 ARG 11 5.969 0.299 -0.082
75 HG2 ARG 11 HG2 ARG 11 6.505 -2.010 0.407
76 HG3 ARG 11 HG1 ARG 11 7.011 -2.283 -1.260
77 HD2 ARG 11 HD2 ARG 11 8.968 -1.932 0.182
78 HD3 ARG 11 HD1 ARG 11 8.816 -0.630 -0.985
79 HE ARG 11 HE ARG 11 8.190 -0.448 1.894
80 HH11 ARG 11 1HH2 ARG 11 8.623 1.032 -1.206
81 HH12 ARG 11 2HH2 ARG 11 8.675 2.638 -0.576
82 HH21 ARG 11 1HH1 ARG 11 8.259 1.661 2.720
83 HH22 ARG 11 2HH1 ARG 11 8.467 2.999 1.641
84 H CYS 12 H CYS 12 2.955 0.037 0.022
85 HA CYS 12 HA CYS 12 2.604 2.567 -1.293
86 HB2 CYS 12 HB2 CYS 12 1.218 0.425 -2.419
87 HB3 CYS 12 HB1 CYS 12 0.028 1.239 -1.400
88 H ARG 13 H ARG 13 1.127 0.146 0.817
89 HA ARG 13 HA ARG 13 0.102 2.306 2.539
90 HB2 ARG 13 HB2 ARG 13 -0.746 -0.469 1.953
91 HB3 ARG 13 HB1 ARG 13 -0.921 0.043 3.630
92 HG2 ARG 13 HG2 ARG 13 -2.967 0.545 2.386
93 HG3 ARG 13 HG1 ARG 13 -2.171 2.042 2.855
94 HD2 ARG 13 HD2 ARG 13 -1.281 2.369 0.655
95 HD3 ARG 13 HD1 ARG 13 -1.732 0.739 0.165
96 HE ARG 13 HE ARG 13 -4.096 1.996 0.895
97 HH11 ARG 13 1HH2 ARG 13 -1.518 2.459 -1.366
98 HH12 ARG 13 2HH2 ARG 13 -2.514 3.229 -2.555
99 HH21 ARG 13 1HH1 ARG 13 -5.409 3.004 -0.659
100 HH22 ARG 13 2HH1 ARG 13 -4.717 3.538 -2.155
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -2.143 5.350 -7.635
2 H2 GLY 1 HT2 GLY 1 -1.345 4.337 -6.530
3 H3 GLY 1 HT3 GLY 1 -2.896 4.932 -6.174
4 HA2 GLY 1 HA2 GLY 1 -3.799 3.148 -7.085
5 HA3 GLY 1 HA1 GLY 1 -3.077 3.621 -8.624
6 H ABA 2 H ABA 2 -3.125 1.098 -8.619
7 HA ABA 2 HA ABA 2 -1.909 -0.840 -8.721
8 HB3 ABA 2 HB1 ABA 2 -0.006 1.289 -8.961
9 HB2 ABA 2 HB2 ABA 2 0.065 -0.323 -9.642
10 HG1 ABA 2 HG ABA 2 1.402 0.662 -7.130
11 H CYS 3 H CYS 3 -2.352 0.922 -5.989
12 HA CYS 3 HA CYS 3 -0.754 -0.430 -4.076
13 HB2 CYS 3 HB2 CYS 3 -3.354 1.091 -3.841
14 HB3 CYS 3 HB1 CYS 3 -2.479 0.444 -2.453
15 H SER 4 H SER 4 -4.008 -1.003 -5.340
16 HA SER 4 HA SER 4 -4.258 -3.396 -3.652
17 HB2 SER 4 HB2 SER 4 -6.614 -3.352 -4.260
18 HB3 SER 4 HB1 SER 4 -6.116 -1.761 -3.688
19 HG SER 4 HG SER 4 -5.884 -2.336 -6.415
20 H ASP 5 H ASP 5 -3.570 -2.537 -6.932
21 HA ASP 5 HA ASP 5 -4.644 -4.829 -8.196
22 HB2 ASP 5 HB2 ASP 5 -2.308 -3.101 -9.016
23 HB3 ASP 5 HB1 ASP 5 -3.116 -4.265 -10.055
24 HA PRO 6 HA PRO 6 -1.713 -7.885 -6.857
25 HB2 PRO 6 HB2 PRO 6 -1.834 -9.666 -8.933
26 HB3 PRO 6 HB1 PRO 6 -3.106 -9.502 -7.710
27 HG2 PRO 6 HG2 PRO 6 -2.995 -8.424 -10.467
28 HG3 PRO 6 HG1 PRO 6 -4.363 -9.110 -9.580
29 HD2 PRO 6 HD2 PRO 6 -4.002 -6.418 -9.908
30 HD3 PRO 6 HD1 PRO 6 -4.832 -7.116 -8.506
31 H ARG 7 H ARG 7 -1.392 -6.555 -10.092
32 HA ARG 7 HA ARG 7 1.278 -7.488 -10.529
33 HB2 ARG 7 HB2 ARG 7 1.254 -6.122 -12.498
34 HB3 ARG 7 HB1 ARG 7 -0.339 -6.864 -12.346
35 HG2 ARG 7 HG2 ARG 7 -1.107 -4.757 -11.178
36 HG3 ARG 7 HG1 ARG 7 0.440 -4.034 -11.616
37 HD2 ARG 7 HD2 ARG 7 -1.200 -3.429 -13.303
38 HD3 ARG 7 HD1 ARG 7 -0.043 -4.553 -14.010
39 HE ARG 7 HE ARG 7 -2.346 -5.889 -12.919
40 HH11 ARG 7 1HH2 ARG 7 -1.077 -4.123 -15.610
41 HH12 ARG 7 2HH2 ARG 7 -2.165 -4.824 -16.761
42 HH21 ARG 7 1HH1 ARG 7 -3.777 -6.812 -14.421
43 HH22 ARG 7 2HH1 ARG 7 -3.694 -6.346 -16.087
44 H ABA 8 H ABA 8 -0.043 -5.046 -8.601
45 HA ABA 8 HA ABA 8 2.620 -3.801 -8.323
46 HB3 ABA 8 HB1 ABA 8 -0.051 -2.427 -8.564
47 HB2 ABA 8 HB2 ABA 8 1.366 -2.242 -9.592
48 HG1 ABA 8 HG ABA 8 2.468 -1.501 -7.206
49 H ARG 9 H ARG 9 0.656 -5.741 -6.779
50 HA ARG 9 HA ARG 9 0.142 -4.410 -4.301
51 HB2 ARG 9 HB2 ARG 9 -0.977 -6.523 -5.197
52 HB3 ARG 9 HB1 ARG 9 0.441 -7.385 -4.607
53 HG2 ARG 9 HG2 ARG 9 0.037 -6.488 -2.344
54 HG3 ARG 9 HG1 ARG 9 -1.364 -5.603 -2.943
55 HD2 ARG 9 HD2 ARG 9 -2.396 -7.757 -3.630
56 HD3 ARG 9 HD1 ARG 9 -1.017 -8.615 -2.949
57 HE ARG 9 HE ARG 9 -2.096 -6.941 -0.955
58 HH11 ARG 9 1HH2 ARG 9 -2.880 -9.729 -2.851
59 HH12 ARG 9 2HH2 ARG 9 -3.909 -10.429 -1.647
60 HH21 ARG 9 1HH1 ARG 9 -3.444 -7.856 0.629
61 HH22 ARG 9 2HH1 ARG 9 -4.228 -9.369 0.323
62 H TYR 10 H TYR 10 2.731 -3.845 -4.980
63 HA TYR 10 HA TYR 10 4.283 -5.314 -2.932
64 HB2 TYR 10 HB2 TYR 10 5.436 -4.058 -5.426
65 HB3 TYR 10 HB1 TYR 10 6.237 -5.141 -4.289
66 HD1 TYR 10 HD1 TYR 10 5.177 -7.513 -3.982
67 HD2 TYR 10 HD2 TYR 10 4.363 -4.925 -7.309
68 HE1 TYR 10 HE1 TYR 10 4.349 -9.451 -5.289
69 HE2 TYR 10 HE2 TYR 10 3.531 -6.856 -8.614
70 HH TYR 10 HH TYR 10 3.110 -9.034 -8.609
71 H ARG 11 H ARG 11 3.653 -2.296 -4.616
72 HA ARG 11 HA ARG 11 4.788 -0.832 -2.321
73 HB2 ARG 11 HB2 ARG 11 5.176 -0.257 -5.260
74 HB3 ARG 11 HB1 ARG 11 5.593 0.869 -3.970
75 HG2 ARG 11 HG2 ARG 11 7.156 -0.723 -3.010
76 HG3 ARG 11 HG1 ARG 11 6.663 -1.955 -4.171
77 HD2 ARG 11 HD2 ARG 11 8.760 -0.917 -4.897
78 HD3 ARG 11 HD1 ARG 11 7.465 -0.511 -6.021
79 HE ARG 11 HE ARG 11 7.641 1.481 -4.017
80 HH11 ARG 11 1HH2 ARG 11 9.318 0.204 -6.760
81 HH12 ARG 11 2HH2 ARG 11 10.050 1.715 -7.190
82 HH21 ARG 11 1HH1 ARG 11 8.593 3.467 -4.578
83 HH22 ARG 11 2HH1 ARG 11 9.640 3.562 -5.955
84 H CYS 12 H CYS 12 3.847 1.155 -1.849
85 HA CYS 12 HA CYS 12 1.583 2.112 -3.386
86 HB2 CYS 12 HB2 CYS 12 0.578 0.337 -1.972
87 HB3 CYS 12 HB1 CYS 12 1.177 1.174 -0.537
88 H ARG 13 H ARG 13 2.316 2.453 0.053
89 HA ARG 13 HA ARG 13 2.478 5.336 -0.263
90 HB2 ARG 13 HB2 ARG 13 1.905 5.439 1.919
91 HB3 ARG 13 HB1 ARG 13 1.502 3.737 1.729
92 HG2 ARG 13 HG2 ARG 13 4.154 4.839 2.751
93 HG3 ARG 13 HG1 ARG 13 2.900 4.072 3.711
94 HD2 ARG 13 HD2 ARG 13 3.554 2.341 1.508
95 HD3 ARG 13 HD1 ARG 13 5.032 2.795 2.348
96 HE ARG 13 HE ARG 13 4.260 1.652 4.243
97 HH11 ARG 13 1HH2 ARG 13 1.836 1.917 1.787
98 HH12 ARG 13 2HH2 ARG 13 0.751 0.799 2.544
99 HH21 ARG 13 1HH1 ARG 13 2.837 0.193 5.247
100 HH22 ARG 13 2HH1 ARG 13 1.317 -0.176 4.503
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -3.700 3.788 -8.758
2 H2 GLY 1 HT2 GLY 1 -3.251 2.814 -10.076
3 H3 GLY 1 HT3 GLY 1 -2.366 2.750 -8.627
4 HA2 GLY 1 HA2 GLY 1 -4.578 2.044 -7.563
5 HA3 GLY 1 HA1 GLY 1 -5.036 1.661 -9.220
6 H ABA 2 H ABA 2 -1.772 1.408 -9.032
7 HA ABA 2 HA ABA 2 -1.648 -1.339 -9.468
8 HB3 ABA 2 HB1 ABA 2 0.226 0.819 -9.056
9 HB2 ABA 2 HB2 ABA 2 0.433 -0.661 -9.984
10 HG1 ABA 2 HG ABA 2 1.306 -0.133 -7.159
11 H CYS 3 H CYS 3 -1.460 0.514 -6.487
12 HA CYS 3 HA CYS 3 -0.726 -1.558 -4.722
13 HB2 CYS 3 HB2 CYS 3 -0.562 0.607 -3.854
14 HB3 CYS 3 HB1 CYS 3 -2.188 1.050 -4.368
15 H SER 4 H SER 4 -3.918 -0.318 -5.638
16 HA SER 4 HA SER 4 -5.404 -2.120 -4.041
17 HB2 SER 4 HB2 SER 4 -7.319 -1.421 -5.379
18 HB3 SER 4 HB1 SER 4 -6.327 -0.023 -4.976
19 HG SER 4 HG SER 4 -5.293 -0.440 -7.083
20 H ASP 5 H ASP 5 -3.846 -2.469 -7.135
21 HA ASP 5 HA ASP 5 -5.317 -4.951 -7.646
22 HB2 ASP 5 HB2 ASP 5 -3.420 -3.411 -9.413
23 HB3 ASP 5 HB1 ASP 5 -4.300 -4.861 -9.885
24 HA PRO 6 HA PRO 6 -1.809 -7.361 -6.296
25 HB2 PRO 6 HB2 PRO 6 -2.295 -9.694 -7.633
26 HB3 PRO 6 HB1 PRO 6 -3.232 -9.175 -6.221
27 HG2 PRO 6 HG2 PRO 6 -3.914 -9.018 -9.100
28 HG3 PRO 6 HG1 PRO 6 -4.946 -9.395 -7.714
29 HD2 PRO 6 HD2 PRO 6 -4.910 -6.936 -8.933
30 HD3 PRO 6 HD1 PRO 6 -5.329 -7.182 -7.230
31 H ARG 7 H ARG 7 -2.441 -6.796 -9.664
32 HA ARG 7 HA ARG 7 -0.203 -8.014 -10.823
33 HB2 ARG 7 HB2 ARG 7 -0.591 -6.595 -12.720
34 HB3 ARG 7 HB1 ARG 7 -2.162 -7.036 -12.050
35 HG2 ARG 7 HG2 ARG 7 -2.163 -4.870 -10.782
36 HG3 ARG 7 HG1 ARG 7 -0.679 -4.425 -11.621
37 HD2 ARG 7 HD2 ARG 7 -2.557 -3.446 -12.800
38 HD3 ARG 7 HD1 ARG 7 -1.862 -4.717 -13.795
39 HE ARG 7 HE ARG 7 -4.417 -4.863 -12.322
40 HH11 ARG 7 1HH2 ARG 7 -2.132 -6.219 -14.545
41 HH12 ARG 7 2HH2 ARG 7 -3.232 -7.407 -15.148
42 HH21 ARG 7 1HH1 ARG 7 -5.854 -6.421 -13.112
43 HH22 ARG 7 2HH1 ARG 7 -5.334 -7.525 -14.341
44 H ABA 8 H ABA 8 -0.468 -5.317 -8.743
45 HA ABA 8 HA ABA 8 2.375 -4.664 -9.268
46 HB3 ABA 8 HB1 ABA 8 0.012 -2.915 -9.226
47 HB2 ABA 8 HB2 ABA 8 1.584 -2.671 -9.970
48 HG1 ABA 8 HG ABA 8 2.140 -2.374 -7.217
49 H ARG 9 H ARG 9 3.254 -5.826 -7.642
50 HA ARG 9 HA ARG 9 2.171 -5.537 -4.928
51 HB2 ARG 9 HB2 ARG 9 4.225 -7.397 -6.131
52 HB3 ARG 9 HB1 ARG 9 3.865 -7.321 -4.403
53 HG2 ARG 9 HG2 ARG 9 1.557 -7.931 -4.789
54 HG3 ARG 9 HG1 ARG 9 1.773 -7.806 -6.536
55 HD2 ARG 9 HD2 ARG 9 1.844 -10.162 -5.821
56 HD3 ARG 9 HD1 ARG 9 3.402 -9.658 -6.470
57 HE ARG 9 HE ARG 9 4.319 -9.891 -4.336
58 HH11 ARG 9 1HH2 ARG 9 0.863 -10.032 -4.267
59 HH12 ARG 9 2HH2 ARG 9 0.780 -10.557 -2.619
60 HH21 ARG 9 1HH1 ARG 9 4.219 -10.578 -2.174
61 HH22 ARG 9 2HH1 ARG 9 2.680 -10.866 -1.434
62 H TYR 10 H TYR 10 3.059 -3.208 -5.403
63 HA TYR 10 HA TYR 10 5.844 -3.046 -4.431
64 HB2 TYR 10 HB2 TYR 10 4.257 -1.118 -6.135
65 HB3 TYR 10 HB1 TYR 10 5.810 -0.722 -5.396
66 HD1 TYR 10 HD1 TYR 10 7.870 -1.918 -6.067
67 HD2 TYR 10 HD2 TYR 10 4.111 -2.637 -8.017
68 HE1 TYR 10 HE1 TYR 10 9.053 -3.033 -7.939
69 HE2 TYR 10 HE2 TYR 10 5.294 -3.753 -9.888
70 HH TYR 10 HH TYR 10 8.579 -3.482 -10.404
71 H ARG 11 H ARG 11 6.186 -0.827 -3.291
72 HA ARG 11 HA ARG 11 4.926 -0.875 -0.838
73 HB2 ARG 11 HB2 ARG 11 6.167 1.459 -2.298
74 HB3 ARG 11 HB1 ARG 11 5.696 1.505 -0.600
75 HG2 ARG 11 HG2 ARG 11 7.233 -0.271 -0.050
76 HG3 ARG 11 HG1 ARG 11 7.587 -0.558 -1.754
77 HD2 ARG 11 HD2 ARG 11 8.154 2.049 -0.319
78 HD3 ARG 11 HD1 ARG 11 9.353 0.784 -0.576
79 HE ARG 11 HE ARG 11 8.233 1.397 -3.068
80 HH11 ARG 11 1HH2 ARG 11 10.087 2.890 -0.558
81 HH12 ARG 11 2HH2 ARG 11 10.921 3.970 -1.625
82 HH21 ARG 11 1HH1 ARG 11 9.321 2.809 -4.475
83 HH22 ARG 11 2HH1 ARG 11 10.486 3.924 -3.844
84 H CYS 12 H CYS 12 3.186 0.088 0.065
85 HA CYS 12 HA CYS 12 1.496 1.860 -1.521
86 HB2 CYS 12 HB2 CYS 12 0.667 -0.344 -2.110
87 HB3 CYS 12 HB1 CYS 12 0.544 -0.790 -0.410
88 H ARG 13 H ARG 13 1.181 3.510 -0.214
89 HA ARG 13 HA ARG 13 0.597 3.010 2.640
90 HB2 ARG 13 HB2 ARG 13 1.984 5.466 1.548
91 HB3 ARG 13 HB1 ARG 13 1.769 5.013 3.237
92 HG2 ARG 13 HG2 ARG 13 3.345 3.337 1.265
93 HG3 ARG 13 HG1 ARG 13 4.080 4.560 2.296
94 HD2 ARG 13 HD2 ARG 13 3.105 3.361 4.285
95 HD3 ARG 13 HD1 ARG 13 2.585 2.084 3.192
96 HE ARG 13 HE ARG 13 5.309 2.626 4.044
97 HH11 ARG 13 1HH2 ARG 13 3.176 1.097 1.789
98 HH12 ARG 13 2HH2 ARG 13 4.328 -0.103 1.303
99 HH21 ARG 13 1HH1 ARG 13 6.822 1.056 3.414
100 HH22 ARG 13 2HH1 ARG 13 6.392 -0.126 2.223
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -7.028 1.523 -8.802
2 H2 GLY 1 HT2 GLY 1 -6.097 1.857 -7.421
3 H3 GLY 1 HT3 GLY 1 -6.208 0.267 -8.010
4 HA2 GLY 1 HA2 GLY 1 -5.290 1.631 -10.166
5 HA3 GLY 1 HA1 GLY 1 -4.463 2.400 -8.810
6 H ABA 2 H ABA 2 -2.456 1.487 -9.458
7 HA ABA 2 HA ABA 2 -2.097 -1.338 -9.735
8 HB3 ABA 2 HB1 ABA 2 -0.535 1.002 -10.139
9 HB2 ABA 2 HB2 ABA 2 -0.148 -0.647 -10.606
10 HG1 ABA 2 HG ABA 2 0.895 0.862 -8.228
11 H CYS 3 H CYS 3 -1.935 0.949 -7.069
12 HA CYS 3 HA CYS 3 -0.556 -0.641 -5.196
13 HB2 CYS 3 HB2 CYS 3 -2.664 1.495 -4.866
14 HB3 CYS 3 HB1 CYS 3 -1.838 0.743 -3.503
15 H SER 4 H SER 4 -4.004 -0.395 -5.970
16 HA SER 4 HA SER 4 -4.853 -2.263 -3.993
17 HB2 SER 4 HB2 SER 4 -6.403 -0.633 -4.957
18 HB3 SER 4 HB1 SER 4 -6.209 -1.367 -6.547
19 HG SER 4 HG SER 4 -7.190 -2.655 -4.208
20 H ASP 5 H ASP 5 -4.120 -2.523 -7.455
21 HA ASP 5 HA ASP 5 -4.816 -5.258 -7.630
22 HB2 ASP 5 HB2 ASP 5 -3.140 -3.580 -9.454
23 HB3 ASP 5 HB1 ASP 5 -3.743 -5.191 -9.828
24 HA PRO 6 HA PRO 6 -1.145 -7.066 -5.664
25 HB2 PRO 6 HB2 PRO 6 -1.681 -9.318 -7.538
26 HB3 PRO 6 HB1 PRO 6 -1.492 -9.331 -5.773
27 HG2 PRO 6 HG2 PRO 6 -3.872 -9.610 -6.951
28 HG3 PRO 6 HG1 PRO 6 -3.670 -8.780 -5.397
29 HD2 PRO 6 HD2 PRO 6 -4.223 -7.639 -8.084
30 HD3 PRO 6 HD1 PRO 6 -4.650 -7.042 -6.474
31 H ARG 7 H ARG 7 -1.654 -6.963 -9.128
32 HA ARG 7 HA ARG 7 0.904 -7.754 -9.990
33 HB2 ARG 7 HB2 ARG 7 0.322 -6.861 -12.110
34 HB3 ARG 7 HB1 ARG 7 -1.190 -7.438 -11.405
35 HG2 ARG 7 HG2 ARG 7 -1.521 -5.064 -10.517
36 HG3 ARG 7 HG1 ARG 7 -0.197 -4.588 -11.580
37 HD2 ARG 7 HD2 ARG 7 -2.237 -4.222 -12.798
38 HD3 ARG 7 HD1 ARG 7 -1.469 -5.648 -13.489
39 HE ARG 7 HE ARG 7 -3.315 -6.344 -11.410
40 HH11 ARG 7 1HH2 ARG 7 -3.010 -5.373 -14.718
41 HH12 ARG 7 2HH2 ARG 7 -4.485 -6.128 -15.221
42 HH21 ARG 7 1HH1 ARG 7 -5.251 -7.337 -12.061
43 HH22 ARG 7 2HH1 ARG 7 -5.754 -7.240 -13.716
44 H ABA 8 H ABA 8 -0.048 -5.009 -8.269
45 HA ABA 8 HA ABA 8 2.584 -3.798 -8.745
46 HB3 ABA 8 HB1 ABA 8 -0.066 -2.540 -9.282
47 HB2 ABA 8 HB2 ABA 8 1.430 -2.409 -10.177
48 HG1 ABA 8 HG ABA 8 2.126 -1.158 -7.801
49 H ARG 9 H ARG 9 0.354 -4.940 -6.576
50 HA ARG 9 HA ARG 9 0.563 -3.015 -4.478
51 HB2 ARG 9 HB2 ARG 9 -1.146 -4.895 -4.716
52 HB3 ARG 9 HB1 ARG 9 0.117 -5.961 -4.095
53 HG2 ARG 9 HG2 ARG 9 0.296 -4.626 -2.057
54 HG3 ARG 9 HG1 ARG 9 -0.874 -3.467 -2.683
55 HD2 ARG 9 HD2 ARG 9 -2.060 -4.933 -1.193
56 HD3 ARG 9 HD1 ARG 9 -2.536 -5.361 -2.835
57 HE ARG 9 HE ARG 9 -0.323 -6.947 -2.038
58 HH11 ARG 9 1HH2 ARG 9 -3.700 -6.452 -1.465
59 HH12 ARG 9 2HH2 ARG 9 -4.004 -8.096 -1.014
60 HH21 ARG 9 1HH1 ARG 9 -0.716 -9.105 -1.448
61 HH22 ARG 9 2HH1 ARG 9 -2.315 -9.598 -1.005
62 H TYR 10 H TYR 10 3.075 -3.086 -5.307
63 HA TYR 10 HA TYR 10 4.552 -4.825 -3.432
64 HB2 TYR 10 HB2 TYR 10 5.528 -3.337 -5.880
65 HB3 TYR 10 HB1 TYR 10 6.527 -4.341 -4.832
66 HD1 TYR 10 HD1 TYR 10 5.487 -6.770 -4.352
67 HD2 TYR 10 HD2 TYR 10 4.633 -4.333 -7.783
68 HE1 TYR 10 HE1 TYR 10 4.780 -8.787 -5.609
69 HE2 TYR 10 HE2 TYR 10 3.926 -6.346 -9.037
70 HH TYR 10 HH TYR 10 2.961 -8.902 -8.025
71 H ARG 11 H ARG 11 4.322 -1.488 -4.628
72 HA ARG 11 HA ARG 11 6.039 -0.559 -2.442
73 HB2 ARG 11 HB2 ARG 11 4.820 0.852 -4.820
74 HB3 ARG 11 HB1 ARG 11 5.784 1.657 -3.585
75 HG2 ARG 11 HG2 ARG 11 7.693 0.210 -4.082
76 HG3 ARG 11 HG1 ARG 11 6.733 -0.683 -5.262
77 HD2 ARG 11 HD2 ARG 11 8.138 0.965 -6.406
78 HD3 ARG 11 HD1 ARG 11 6.439 1.399 -6.576
79 HE ARG 11 HE ARG 11 6.833 3.285 -5.260
80 HH11 ARG 11 1HH2 ARG 11 9.490 1.071 -5.151
81 HH12 ARG 11 2HH2 ARG 11 10.550 2.168 -4.333
82 HH21 ARG 11 1HH1 ARG 11 8.217 4.729 -4.185
83 HH22 ARG 11 2HH1 ARG 11 9.830 4.240 -3.786
84 H CYS 12 H CYS 12 2.812 -1.176 -2.934
85 HA CYS 12 HA CYS 12 1.987 0.889 -0.982
86 HB2 CYS 12 HB2 CYS 12 0.029 -0.538 -2.746
87 HB3 CYS 12 HB1 CYS 12 -0.089 1.057 -2.001
88 H ARG 13 H ARG 13 2.513 -0.383 0.816
89 HA ARG 13 HA ARG 13 1.394 -3.035 1.113
90 HB2 ARG 13 HB2 ARG 13 3.221 -1.282 2.650
91 HB3 ARG 13 HB1 ARG 13 2.238 -2.383 3.613
92 HG2 ARG 13 HG2 ARG 13 4.337 -3.484 3.033
93 HG3 ARG 13 HG1 ARG 13 3.019 -4.262 2.169
94 HD2 ARG 13 HD2 ARG 13 3.532 -2.920 0.162
95 HD3 ARG 13 HD1 ARG 13 4.851 -2.138 1.027
96 HE ARG 13 HE ARG 13 6.127 -4.067 0.735
97 HH11 ARG 13 1HH2 ARG 13 2.795 -4.618 -0.017
98 HH12 ARG 13 2HH2 ARG 13 3.066 -6.185 -0.703
99 HH21 ARG 13 1HH1 ARG 13 6.491 -6.121 -0.165
100 HH22 ARG 13 2HH1 ARG 13 5.158 -7.035 -0.787
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -6.840 1.279 -8.250
2 H2 GLY 1 HT2 GLY 1 -6.486 -0.032 -9.274
3 H3 GLY 1 HT3 GLY 1 -7.020 1.442 -9.929
4 HA2 GLY 1 HA2 GLY 1 -4.877 1.899 -10.260
5 HA3 GLY 1 HA1 GLY 1 -4.848 2.211 -8.524
6 H ABA 2 H ABA 2 -2.523 1.411 -9.590
7 HA ABA 2 HA ABA 2 -2.195 -1.439 -9.599
8 HB3 ABA 2 HB1 ABA 2 -0.583 0.882 -10.158
9 HB2 ABA 2 HB2 ABA 2 -0.340 -0.784 -10.670
10 HG1 ABA 2 HG ABA 2 0.945 0.617 -8.340
11 H CYS 3 H CYS 3 -2.238 1.060 -7.231
12 HA CYS 3 HA CYS 3 -0.695 -0.147 -5.205
13 HB2 CYS 3 HB2 CYS 3 -2.898 1.900 -5.167
14 HB3 CYS 3 HB1 CYS 3 -2.125 1.356 -3.689
15 H SER 4 H SER 4 -4.099 -0.396 -6.042
16 HA SER 4 HA SER 4 -4.664 -2.121 -3.769
17 HB2 SER 4 HB2 SER 4 -6.949 -2.109 -4.598
18 HB3 SER 4 HB1 SER 4 -6.320 -0.464 -4.584
19 HG SER 4 HG SER 4 -6.719 -0.435 -6.638
20 H ASP 5 H ASP 5 -4.032 -2.429 -7.208
21 HA ASP 5 HA ASP 5 -4.972 -5.104 -7.443
22 HB2 ASP 5 HB2 ASP 5 -3.090 -3.526 -9.183
23 HB3 ASP 5 HB1 ASP 5 -3.782 -5.079 -9.619
24 HA PRO 6 HA PRO 6 -1.449 -7.253 -5.767
25 HB2 PRO 6 HB2 PRO 6 -1.668 -9.636 -7.105
26 HB3 PRO 6 HB1 PRO 6 -2.728 -9.155 -5.770
27 HG2 PRO 6 HG2 PRO 6 -3.229 -9.108 -8.684
28 HG3 PRO 6 HG1 PRO 6 -4.331 -9.506 -7.358
29 HD2 PRO 6 HD2 PRO 6 -4.349 -7.095 -8.650
30 HD3 PRO 6 HD1 PRO 6 -4.878 -7.311 -6.973
31 H ARG 7 H ARG 7 -1.863 -7.256 -9.286
32 HA ARG 7 HA ARG 7 0.687 -8.145 -10.031
33 HB2 ARG 7 HB2 ARG 7 0.224 -7.224 -12.191
34 HB3 ARG 7 HB1 ARG 7 -1.309 -7.815 -11.544
35 HG2 ARG 7 HG2 ARG 7 -1.697 -5.448 -10.670
36 HG3 ARG 7 HG1 ARG 7 -0.327 -4.959 -11.667
37 HD2 ARG 7 HD2 ARG 7 -2.286 -4.596 -12.998
38 HD3 ARG 7 HD1 ARG 7 -1.518 -6.048 -13.631
39 HE ARG 7 HE ARG 7 -3.457 -6.690 -11.628
40 HH11 ARG 7 1HH2 ARG 7 -3.025 -5.717 -14.921
41 HH12 ARG 7 2HH2 ARG 7 -4.502 -6.434 -15.471
42 HH21 ARG 7 1HH1 ARG 7 -5.395 -7.633 -12.343
43 HH22 ARG 7 2HH1 ARG 7 -5.845 -7.520 -14.011
44 H ABA 8 H ABA 8 -0.370 -5.143 -8.713
45 HA ABA 8 HA ABA 8 2.347 -4.040 -9.093
46 HB3 ABA 8 HB1 ABA 8 -0.346 -2.723 -9.272
47 HB2 ABA 8 HB2 ABA 8 1.023 -2.607 -10.362
48 HG1 ABA 8 HG ABA 8 2.035 -1.499 -7.979
49 H ARG 9 H ARG 9 1.962 -5.703 -7.102
50 HA ARG 9 HA ARG 9 1.185 -4.286 -4.680
51 HB2 ARG 9 HB2 ARG 9 0.731 -6.750 -5.128
52 HB3 ARG 9 HB1 ARG 9 2.457 -7.007 -4.871
53 HG2 ARG 9 HG2 ARG 9 2.231 -5.895 -2.637
54 HG3 ARG 9 HG1 ARG 9 0.495 -5.805 -2.907
55 HD2 ARG 9 HD2 ARG 9 0.900 -7.777 -1.591
56 HD3 ARG 9 HD1 ARG 9 0.504 -8.312 -3.221
57 HE ARG 9 HE ARG 9 3.316 -8.007 -2.963
58 HH11 ARG 9 1HH2 ARG 9 0.654 -9.992 -1.986
59 HH12 ARG 9 2HH2 ARG 9 1.607 -11.429 -1.825
60 HH21 ARG 9 1HH1 ARG 9 4.571 -9.888 -2.753
61 HH22 ARG 9 2HH1 ARG 9 3.824 -11.371 -2.259
62 H TYR 10 H TYR 10 3.112 -2.829 -5.673
63 HA TYR 10 HA TYR 10 5.766 -3.640 -4.966
64 HB2 TYR 10 HB2 TYR 10 4.483 -1.054 -5.778
65 HB3 TYR 10 HB1 TYR 10 6.127 -1.053 -5.132
66 HD1 TYR 10 HD2 TYR 10 3.947 -2.440 -7.808
67 HD2 TYR 10 HD1 TYR 10 7.969 -1.859 -6.417
68 HE1 TYR 10 HE2 TYR 10 4.813 -3.182 -10.008
69 HE2 TYR 10 HE1 TYR 10 8.836 -2.602 -8.619
70 HH TYR 10 HH TYR 10 6.790 -4.052 -11.005
71 H ARG 11 H ARG 11 4.883 -0.553 -3.747
72 HA ARG 11 HA ARG 11 5.408 -1.501 -1.006
73 HB2 ARG 11 HB2 ARG 11 5.534 1.335 -2.054
74 HB3 ARG 11 HB1 ARG 11 6.146 0.731 -0.518
75 HG2 ARG 11 HG2 ARG 11 7.165 -0.312 -3.167
76 HG3 ARG 11 HG1 ARG 11 7.885 1.075 -2.369
77 HD2 ARG 11 HD2 ARG 11 7.637 -1.722 -1.223
78 HD3 ARG 11 HD1 ARG 11 9.117 -0.949 -1.761
79 HE ARG 11 HE ARG 11 7.714 -0.452 0.731
80 HH11 ARG 11 1HH2 ARG 11 9.989 0.664 -1.625
81 HH12 ARG 11 2HH2 ARG 11 10.808 1.729 -0.531
82 HH21 ARG 11 1HH1 ARG 11 8.782 0.941 2.171
83 HH22 ARG 11 2HH1 ARG 11 10.125 1.886 1.617
84 H CYS 12 H CYS 12 3.098 0.072 -3.045
85 HA CYS 12 HA CYS 12 1.481 1.381 -1.211
86 HB2 CYS 12 HB2 CYS 12 1.139 0.212 -3.884
87 HB3 CYS 12 HB1 CYS 12 -0.340 0.301 -2.946
88 H ARG 13 H ARG 13 -0.228 -1.362 -2.507
89 HA ARG 13 HA ARG 13 -0.452 -2.524 0.203
90 HB2 ARG 13 HB2 ARG 13 -2.506 -1.473 -1.567
91 HB3 ARG 13 HB1 ARG 13 -2.807 -3.162 -1.172
92 HG2 ARG 13 HG2 ARG 13 -3.884 -1.845 0.528
93 HG3 ARG 13 HG1 ARG 13 -2.446 -2.537 1.262
94 HD2 ARG 13 HD2 ARG 13 -1.228 -0.471 1.014
95 HD3 ARG 13 HD1 ARG 13 -2.512 0.226 0.032
96 HE ARG 13 HE ARG 13 -2.485 -0.029 2.927
97 HH11 ARG 13 1HH2 ARG 13 -4.329 0.428 0.035
98 HH12 ARG 13 2HH2 ARG 13 -5.655 1.201 0.838
99 HH21 ARG 13 1HH1 ARG 13 -4.220 0.984 3.987
100 HH22 ARG 13 2HH1 ARG 13 -5.593 1.515 3.075
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -2.643 4.553 -4.101
2 H2 GLY 1 HT2 GLY 1 -3.631 3.356 -4.793
3 H3 GLY 1 HT3 GLY 1 -3.563 4.908 -5.481
4 HA2 GLY 1 HA2 GLY 1 -1.690 4.496 -6.606
5 HA3 GLY 1 HA1 GLY 1 -1.001 3.593 -5.256
6 H ABA 2 H ABA 2 -0.511 2.444 -7.556
7 HA ABA 2 HA ABA 2 -2.404 0.845 -8.797
8 HB3 ABA 2 HB1 ABA 2 -0.117 1.111 -9.624
9 HB2 ABA 2 HB2 ABA 2 -0.568 -0.572 -9.492
10 HG1 ABA 2 HG ABA 2 1.269 0.963 -7.567
11 H CYS 3 H CYS 3 -1.480 0.768 -5.579
12 HA CYS 3 HA CYS 3 -1.379 -1.871 -4.804
13 HB2 CYS 3 HB2 CYS 3 -1.185 0.046 -3.247
14 HB3 CYS 3 HB1 CYS 3 -2.918 0.329 -3.409
15 H SER 4 H SER 4 -3.878 -0.367 -6.477
16 HA SER 4 HA SER 4 -6.176 -1.623 -5.487
17 HB2 SER 4 HB2 SER 4 -5.466 -0.787 -8.307
18 HB3 SER 4 HB1 SER 4 -7.076 -1.286 -7.796
19 HG SER 4 HG SER 4 -5.823 0.629 -6.233
20 H ASP 5 H ASP 5 -3.676 -2.759 -7.721
21 HA ASP 5 HA ASP 5 -5.010 -5.379 -7.758
22 HB2 ASP 5 HB2 ASP 5 -3.188 -4.149 -9.814
23 HB3 ASP 5 HB1 ASP 5 -3.803 -5.803 -9.880
24 HA PRO 6 HA PRO 6 -1.541 -7.232 -5.596
25 HB2 PRO 6 HB2 PRO 6 -1.610 -9.471 -7.549
26 HB3 PRO 6 HB1 PRO 6 -1.800 -9.506 -5.786
27 HG2 PRO 6 HG2 PRO 6 -3.851 -9.867 -7.471
28 HG3 PRO 6 HG1 PRO 6 -4.038 -9.099 -5.883
29 HD2 PRO 6 HD2 PRO 6 -4.068 -7.860 -8.593
30 HD3 PRO 6 HD1 PRO 6 -4.888 -7.386 -7.096
31 H ARG 7 H ARG 7 -1.494 -6.987 -9.093
32 HA ARG 7 HA ARG 7 1.173 -7.698 -9.591
33 HB2 ARG 7 HB2 ARG 7 0.915 -6.350 -11.665
34 HB3 ARG 7 HB1 ARG 7 -0.430 -7.463 -11.396
35 HG2 ARG 7 HG2 ARG 7 -1.911 -5.769 -11.244
36 HG3 ARG 7 HG1 ARG 7 -0.898 -4.888 -10.095
37 HD2 ARG 7 HD2 ARG 7 -0.329 -4.960 -13.066
38 HD3 ARG 7 HD1 ARG 7 -1.328 -3.718 -12.315
39 HE ARG 7 HE ARG 7 1.037 -3.824 -10.854
40 HH11 ARG 7 1HH2 ARG 7 -0.014 -3.183 -14.090
41 HH12 ARG 7 2HH2 ARG 7 1.266 -2.070 -14.436
42 HH21 ARG 7 1HH1 ARG 7 2.724 -2.360 -11.303
43 HH22 ARG 7 2HH1 ARG 7 2.816 -1.604 -12.858
44 H ABA 8 H ABA 8 -0.170 -4.911 -8.094
45 HA ABA 8 HA ABA 8 2.474 -3.579 -8.217
46 HB3 ABA 8 HB1 ABA 8 -0.302 -2.410 -8.111
47 HB2 ABA 8 HB2 ABA 8 0.863 -2.310 -9.424
48 HG1 ABA 8 HG ABA 8 2.197 -1.218 -7.149
49 H ARG 9 H ARG 9 1.613 -5.577 -6.340
50 HA ARG 9 HA ARG 9 0.858 -4.433 -3.869
51 HB2 ARG 9 HB2 ARG 9 1.581 -6.554 -2.920
52 HB3 ARG 9 HB1 ARG 9 0.643 -6.836 -4.387
53 HG2 ARG 9 HG2 ARG 9 2.821 -6.958 -5.651
54 HG3 ARG 9 HG1 ARG 9 3.660 -6.898 -4.099
55 HD2 ARG 9 HD2 ARG 9 2.475 -8.921 -3.365
56 HD3 ARG 9 HD1 ARG 9 1.607 -8.970 -4.897
57 HE ARG 9 HE ARG 9 4.398 -8.942 -5.390
58 HH11 ARG 9 1HH2 ARG 9 1.857 -10.935 -4.146
59 HH12 ARG 9 2HH2 ARG 9 2.619 -12.424 -4.593
60 HH21 ARG 9 1HH1 ARG 9 5.403 -10.891 -5.980
61 HH22 ARG 9 2HH1 ARG 9 4.627 -12.400 -5.631
62 H TYR 10 H TYR 10 3.771 -4.402 -5.666
63 HA TYR 10 HA TYR 10 5.672 -4.295 -3.557
64 HB2 TYR 10 HB2 TYR 10 6.074 -2.752 -6.093
65 HB3 TYR 10 HB1 TYR 10 7.224 -3.737 -5.185
66 HD1 TYR 10 HD1 TYR 10 6.325 -6.308 -4.888
67 HD2 TYR 10 HD2 TYR 10 5.394 -3.647 -8.131
68 HE1 TYR 10 HE1 TYR 10 5.802 -8.251 -6.336
69 HE2 TYR 10 HE2 TYR 10 4.878 -5.587 -9.575
70 HH TYR 10 HH TYR 10 5.623 -8.116 -9.598
71 H ARG 11 H ARG 11 4.355 -1.644 -5.551
72 HA ARG 11 HA ARG 11 5.403 0.441 -3.999
73 HB2 ARG 11 HB2 ARG 11 2.981 0.337 -5.808
74 HB3 ARG 11 HB1 ARG 11 3.593 1.824 -5.083
75 HG2 ARG 11 HG2 ARG 11 5.746 1.531 -6.185
76 HG3 ARG 11 HG1 ARG 11 5.237 -0.031 -6.827
77 HD2 ARG 11 HD2 ARG 11 4.999 1.674 -8.559
78 HD3 ARG 11 HD1 ARG 11 3.407 1.102 -8.069
79 HE ARG 11 HE ARG 11 4.174 3.389 -6.544
80 HH11 ARG 11 1HH2 ARG 11 3.076 2.343 -9.655
81 HH12 ARG 11 2HH2 ARG 11 2.290 3.841 -10.034
82 HH21 ARG 11 1HH1 ARG 11 3.147 5.355 -7.034
83 HH22 ARG 11 2HH1 ARG 11 2.331 5.545 -8.551
84 H CYS 12 H CYS 12 2.412 -1.391 -3.771
85 HA CYS 12 HA CYS 12 1.050 0.208 -1.919
86 HB2 CYS 12 HB2 CYS 12 0.189 -1.848 -3.134
87 HB3 CYS 12 HB1 CYS 12 1.027 -2.809 -1.917
88 H ARG 13 H ARG 13 3.529 -2.262 -1.446
89 HA ARG 13 HA ARG 13 3.423 -1.954 1.450
90 HB2 ARG 13 HB2 ARG 13 5.166 -3.642 -0.356
91 HB3 ARG 13 HB1 ARG 13 5.265 -3.647 1.407
92 HG2 ARG 13 HG2 ARG 13 2.958 -4.394 1.585
93 HG3 ARG 13 HG1 ARG 13 2.741 -4.254 -0.160
94 HD2 ARG 13 HD2 ARG 13 3.143 -6.586 0.393
95 HD3 ARG 13 HD1 ARG 13 4.537 -5.954 -0.480
96 HE ARG 13 HE ARG 13 4.953 -5.639 2.304
97 HH11 ARG 13 1HH2 ARG 13 4.731 -8.046 -0.172
98 HH12 ARG 13 2HH2 ARG 13 5.793 -9.160 0.624
99 HH21 ARG 13 1HH1 ARG 13 6.345 -7.095 3.353
100 HH22 ARG 13 2HH1 ARG 13 6.707 -8.621 2.619
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -1.768 4.578 -5.749
2 H2 GLY 1 HT2 GLY 1 -2.344 5.500 -7.056
3 H3 GLY 1 HT3 GLY 1 -0.863 4.677 -7.180
4 HA2 GLY 1 HA2 GLY 1 -3.387 3.223 -6.691
5 HA3 GLY 1 HA1 GLY 1 -2.868 3.641 -8.325
6 H ABA 2 H ABA 2 -2.852 1.207 -8.474
7 HA ABA 2 HA ABA 2 -1.672 -0.742 -8.698
8 HB3 ABA 2 HB1 ABA 2 0.231 1.358 -8.960
9 HB2 ABA 2 HB2 ABA 2 0.317 -0.259 -9.619
10 HG1 ABA 2 HG ABA 2 1.677 0.741 -7.135
11 H CYS 3 H CYS 3 -2.199 0.829 -5.952
12 HA CYS 3 HA CYS 3 -0.570 -0.558 -4.062
13 HB2 CYS 3 HB2 CYS 3 -1.567 1.596 -3.511
14 HB3 CYS 3 HB1 CYS 3 -3.184 0.919 -3.708
15 H SER 4 H SER 4 -3.949 -0.932 -5.099
16 HA SER 4 HA SER 4 -4.178 -3.412 -3.562
17 HB2 SER 4 HB2 SER 4 -6.542 -3.301 -4.095
18 HB3 SER 4 HB1 SER 4 -6.007 -1.719 -3.533
19 HG SER 4 HG SER 4 -6.767 -1.034 -5.365
20 H ASP 5 H ASP 5 -3.299 -2.473 -6.672
21 HA ASP 5 HA ASP 5 -4.427 -4.632 -8.148
22 HB2 ASP 5 HB2 ASP 5 -2.058 -2.983 -8.899
23 HB3 ASP 5 HB1 ASP 5 -3.097 -3.894 -9.978
24 HA PRO 6 HA PRO 6 -1.679 -7.929 -6.714
25 HB2 PRO 6 HB2 PRO 6 -2.217 -9.038 -9.439
26 HB3 PRO 6 HB1 PRO 6 -2.400 -9.812 -7.852
27 HG2 PRO 6 HG2 PRO 6 -4.503 -8.963 -9.265
28 HG3 PRO 6 HG1 PRO 6 -4.466 -8.909 -7.493
29 HD2 PRO 6 HD2 PRO 6 -4.231 -6.679 -9.454
30 HD3 PRO 6 HD1 PRO 6 -4.853 -6.682 -7.792
31 H ARG 7 H ARG 7 -1.403 -6.573 -9.977
32 HA ARG 7 HA ARG 7 1.259 -7.486 -10.446
33 HB2 ARG 7 HB2 ARG 7 1.225 -6.013 -12.380
34 HB3 ARG 7 HB1 ARG 7 -0.320 -6.857 -12.258
35 HG2 ARG 7 HG2 ARG 7 -1.253 -4.869 -11.065
36 HG3 ARG 7 HG1 ARG 7 0.265 -4.025 -11.363
37 HD2 ARG 7 HD2 ARG 7 -1.314 -3.400 -13.096
38 HD3 ARG 7 HD1 ARG 7 -0.056 -4.404 -13.812
39 HE ARG 7 HE ARG 7 -1.658 -6.050 -14.204
40 HH11 ARG 7 1HH2 ARG 7 -2.837 -3.622 -12.040
41 HH12 ARG 7 2HH2 ARG 7 -4.470 -4.197 -12.064
42 HH21 ARG 7 1HH1 ARG 7 -3.798 -6.811 -14.241
43 HH22 ARG 7 2HH1 ARG 7 -5.015 -6.002 -13.310
44 H ABA 8 H ABA 8 0.009 -4.991 -8.506
45 HA ABA 8 HA ABA 8 2.712 -3.850 -8.183
46 HB3 ABA 8 HB1 ABA 8 0.156 -2.322 -8.556
47 HB2 ABA 8 HB2 ABA 8 1.598 -2.253 -9.558
48 HG1 ABA 8 HG ABA 8 2.590 -1.521 -7.037
49 H ARG 9 H ARG 9 0.639 -5.631 -6.665
50 HA ARG 9 HA ARG 9 -0.217 -4.361 -4.344
51 HB2 ARG 9 HB2 ARG 9 -0.810 -6.673 -4.932
52 HB3 ARG 9 HB1 ARG 9 0.852 -7.178 -4.621
53 HG2 ARG 9 HG2 ARG 9 0.671 -6.569 -2.292
54 HG3 ARG 9 HG1 ARG 9 -0.906 -5.829 -2.562
55 HD2 ARG 9 HD2 ARG 9 -1.850 -8.010 -3.163
56 HD3 ARG 9 HD1 ARG 9 -0.270 -8.762 -2.971
57 HE ARG 9 HE ARG 9 -0.580 -8.711 -0.663
58 HH11 ARG 9 1HH2 ARG 9 -2.872 -6.696 -2.293
59 HH12 ARG 9 2HH2 ARG 9 -3.823 -6.397 -0.878
60 HH21 ARG 9 1HH1 ARG 9 -1.823 -8.323 1.198
61 HH22 ARG 9 2HH1 ARG 9 -3.230 -7.319 1.098
62 H TYR 10 H TYR 10 2.968 -5.023 -5.406
63 HA TYR 10 HA TYR 10 4.256 -5.162 -2.860
64 HB2 TYR 10 HB2 TYR 10 5.656 -4.084 -5.276
65 HB3 TYR 10 HB1 TYR 10 6.238 -5.205 -4.044
66 HD1 TYR 10 HD2 TYR 10 5.377 -7.569 -3.999
67 HD2 TYR 10 HD1 TYR 10 4.541 -4.864 -7.228
68 HE1 TYR 10 HE2 TYR 10 4.729 -9.482 -5.434
69 HE2 TYR 10 HE1 TYR 10 3.891 -6.776 -8.662
70 HH TYR 10 HH TYR 10 4.524 -9.362 -8.677
71 H ARG 11 H ARG 11 3.884 -2.513 -5.232
72 HA ARG 11 HA ARG 11 4.873 -0.589 -3.259
73 HB2 ARG 11 HB2 ARG 11 4.010 -0.199 -6.133
74 HB3 ARG 11 HB1 ARG 11 4.777 1.015 -5.111
75 HG2 ARG 11 HG2 ARG 11 6.792 -0.281 -4.945
76 HG3 ARG 11 HG1 ARG 11 6.024 -1.671 -5.709
77 HD2 ARG 11 HD2 ARG 11 5.703 -0.306 -7.772
78 HD3 ARG 11 HD1 ARG 11 6.586 1.010 -7.003
79 HE ARG 11 HE ARG 11 8.562 -0.190 -7.315
80 HH11 ARG 11 1HH2 ARG 11 5.769 -2.108 -7.993
81 HH12 ARG 11 2HH2 ARG 11 6.661 -3.402 -8.720
82 HH21 ARG 11 1HH1 ARG 11 9.745 -1.881 -8.269
83 HH22 ARG 11 2HH1 ARG 11 8.913 -3.274 -8.876
84 H CYS 12 H CYS 12 3.662 1.089 -2.427
85 HA CYS 12 HA CYS 12 0.931 1.544 -3.216
86 HB2 CYS 12 HB2 CYS 12 0.633 -0.470 -1.855
87 HB3 CYS 12 HB1 CYS 12 1.486 0.303 -0.513
88 H ARG 13 H ARG 13 0.740 3.668 -3.076
89 HA ARG 13 HA ARG 13 2.468 5.209 -1.321
90 HB2 ARG 13 HB2 ARG 13 1.052 7.127 -2.394
91 HB3 ARG 13 HB1 ARG 13 2.230 6.261 -3.386
92 HG2 ARG 13 HG2 ARG 13 0.513 4.873 -4.349
93 HG3 ARG 13 HG1 ARG 13 -0.690 5.479 -3.210
94 HD2 ARG 13 HD2 ARG 13 0.767 7.237 -5.193
95 HD3 ARG 13 HD1 ARG 13 -0.804 6.509 -5.510
96 HE ARG 13 HE ARG 13 -0.978 7.866 -3.063
97 HH11 ARG 13 1HH2 ARG 13 -0.433 8.502 -6.420
98 HH12 ARG 13 2HH2 ARG 13 -1.128 10.088 -6.375
99 HH21 ARG 13 1HH1 ARG 13 -1.892 9.945 -2.995
100 HH22 ARG 13 2HH1 ARG 13 -1.954 10.904 -4.435
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -6.054 1.258 -7.511
2 H2 GLY 1 HT2 GLY 1 -6.065 1.240 -9.210
3 H3 GLY 1 HT3 GLY 1 -6.367 2.687 -8.371
4 HA2 GLY 1 HA2 GLY 1 -4.135 2.716 -9.247
5 HA3 GLY 1 HA1 GLY 1 -4.104 2.653 -7.485
6 H ABA 2 H ABA 2 -1.889 1.825 -8.845
7 HA ABA 2 HA ABA 2 -1.868 -0.959 -9.436
8 HB3 ABA 2 HB1 ABA 2 -0.068 1.182 -9.676
9 HB2 ABA 2 HB2 ABA 2 0.192 -0.470 -10.200
10 HG1 ABA 2 HG ABA 2 1.310 0.831 -7.736
11 H CYS 3 H CYS 3 -1.113 0.919 -6.531
12 HA CYS 3 HA CYS 3 -0.069 -1.034 -4.889
13 HB2 CYS 3 HB2 CYS 3 -0.180 0.726 -3.508
14 HB3 CYS 3 HB1 CYS 3 -1.374 1.508 -4.541
15 H SER 4 H SER 4 -3.517 -0.297 -5.373
16 HA SER 4 HA SER 4 -4.507 -2.360 -3.721
17 HB2 SER 4 HB2 SER 4 -5.759 -0.939 -6.079
18 HB3 SER 4 HB1 SER 4 -6.630 -2.039 -5.015
19 HG SER 4 HG SER 4 -6.538 0.385 -4.572
20 H ASP 5 H ASP 5 -3.730 -2.257 -7.172
21 HA ASP 5 HA ASP 5 -4.769 -4.801 -7.809
22 HB2 ASP 5 HB2 ASP 5 -2.629 -3.153 -9.141
23 HB3 ASP 5 HB1 ASP 5 -3.309 -4.619 -9.833
24 HA PRO 6 HA PRO 6 -1.692 -7.508 -6.083
25 HB2 PRO 6 HB2 PRO 6 -1.942 -9.650 -7.780
26 HB3 PRO 6 HB1 PRO 6 -3.105 -9.274 -6.496
27 HG2 PRO 6 HG2 PRO 6 -3.271 -8.757 -9.407
28 HG3 PRO 6 HG1 PRO 6 -4.542 -9.231 -8.271
29 HD2 PRO 6 HD2 PRO 6 -4.228 -6.672 -9.176
30 HD3 PRO 6 HD1 PRO 6 -4.932 -7.070 -7.597
31 H ARG 7 H ARG 7 -1.575 -6.612 -9.444
32 HA ARG 7 HA ARG 7 1.011 -7.746 -9.975
33 HB2 ARG 7 HB2 ARG 7 0.864 -6.290 -12.033
34 HB3 ARG 7 HB1 ARG 7 -0.463 -7.436 -11.831
35 HG2 ARG 7 HG2 ARG 7 -2.002 -5.793 -11.383
36 HG3 ARG 7 HG1 ARG 7 -0.816 -4.749 -10.591
37 HD2 ARG 7 HD2 ARG 7 -0.791 -5.276 -13.567
38 HD3 ARG 7 HD1 ARG 7 -1.692 -3.943 -12.851
39 HE ARG 7 HE ARG 7 0.931 -3.830 -11.867
40 HH11 ARG 7 1HH2 ARG 7 -0.821 -3.558 -14.840
41 HH12 ARG 7 2HH2 ARG 7 0.301 -2.454 -15.563
42 HH21 ARG 7 1HH1 ARG 7 2.409 -2.380 -12.812
43 HH22 ARG 7 2HH1 ARG 7 2.130 -1.787 -14.415
44 H ABA 8 H ABA 8 -0.117 -4.945 -8.386
45 HA ABA 8 HA ABA 8 2.631 -3.869 -8.342
46 HB3 ABA 8 HB1 ABA 8 0.097 -2.420 -8.991
47 HB2 ABA 8 HB2 ABA 8 1.623 -2.392 -9.855
48 HG1 ABA 8 HG ABA 8 2.381 -1.334 -7.401
49 H ARG 9 H ARG 9 1.106 -5.524 -6.470
50 HA ARG 9 HA ARG 9 0.161 -4.014 -4.274
51 HB2 ARG 9 HB2 ARG 9 0.383 -6.075 -3.008
52 HB3 ARG 9 HB1 ARG 9 -0.274 -6.434 -4.599
53 HG2 ARG 9 HG2 ARG 9 1.993 -7.049 -5.387
54 HG3 ARG 9 HG1 ARG 9 2.631 -6.735 -3.773
55 HD2 ARG 9 HD2 ARG 9 2.241 -9.108 -3.971
56 HD3 ARG 9 HD1 ARG 9 1.040 -8.437 -2.870
57 HE ARG 9 HE ARG 9 0.032 -8.469 -5.530
58 HH11 ARG 9 1HH2 ARG 9 0.815 -10.492 -2.835
59 HH12 ARG 9 2HH2 ARG 9 -0.361 -11.703 -3.225
60 HH21 ARG 9 1HH1 ARG 9 -1.511 -10.053 -6.048
61 HH22 ARG 9 2HH1 ARG 9 -1.678 -11.454 -5.044
62 H TYR 10 H TYR 10 3.282 -4.428 -5.513
63 HA TYR 10 HA TYR 10 4.785 -4.330 -3.099
64 HB2 TYR 10 HB2 TYR 10 5.779 -3.223 -5.711
65 HB3 TYR 10 HB1 TYR 10 6.660 -4.104 -4.465
66 HD1 TYR 10 HD2 TYR 10 6.089 -6.565 -4.068
67 HD2 TYR 10 HD1 TYR 10 4.758 -4.364 -7.509
68 HE1 TYR 10 HE2 TYR 10 5.639 -8.693 -5.256
69 HE2 TYR 10 HE1 TYR 10 4.306 -6.491 -8.695
70 HH TYR 10 HH TYR 10 4.814 -9.636 -7.089
71 H ARG 11 H ARG 11 3.565 -1.873 -5.317
72 HA ARG 11 HA ARG 11 4.906 0.344 -4.223
73 HB2 ARG 11 HB2 ARG 11 2.255 0.126 -5.664
74 HB3 ARG 11 HB1 ARG 11 3.012 1.662 -5.241
75 HG2 ARG 11 HG2 ARG 11 4.660 -0.369 -6.689
76 HG3 ARG 11 HG1 ARG 11 3.456 0.537 -7.605
77 HD2 ARG 11 HD2 ARG 11 5.619 1.774 -5.875
78 HD3 ARG 11 HD1 ARG 11 5.676 1.655 -7.629
79 HE ARG 11 HE ARG 11 4.082 3.509 -6.070
80 HH11 ARG 11 1HH2 ARG 11 4.534 1.855 -9.075
81 HH12 ARG 11 2HH2 ARG 11 3.656 3.022 -10.008
82 HH21 ARG 11 1HH1 ARG 11 2.928 5.043 -7.286
83 HH22 ARG 11 2HH1 ARG 11 2.747 4.826 -8.994
84 H CYS 12 H CYS 12 1.839 -1.178 -3.386
85 HA CYS 12 HA CYS 12 1.006 0.778 -1.502
86 HB2 CYS 12 HB2 CYS 12 -0.128 -1.465 -2.615
87 HB3 CYS 12 HB1 CYS 12 0.150 -1.969 -0.950
88 H ARG 13 H ARG 13 2.855 -2.227 -1.205
89 HA ARG 13 HA ARG 13 3.135 -1.908 1.670
90 HB2 ARG 13 HB2 ARG 13 3.821 -4.081 1.662
91 HB3 ARG 13 HB1 ARG 13 3.180 -4.101 0.018
92 HG2 ARG 13 HG2 ARG 13 5.472 -3.362 -0.779
93 HG3 ARG 13 HG1 ARG 13 6.060 -3.650 0.865
94 HD2 ARG 13 HD2 ARG 13 4.903 -5.993 0.531
95 HD3 ARG 13 HD1 ARG 13 5.102 -5.613 -1.177
96 HE ARG 13 HE ARG 13 7.212 -6.237 0.714
97 HH11 ARG 13 1HH2 ARG 13 6.322 -4.746 -2.279
98 HH12 ARG 13 2HH2 ARG 13 7.908 -4.856 -2.965
99 HH21 ARG 13 1HH1 ARG 13 9.295 -6.385 -0.179
100 HH22 ARG 13 2HH1 ARG 13 9.592 -5.785 -1.776
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 -3.238 5.074 -6.111
2 H2 GLY 1 HT2 GLY 1 -2.673 5.081 -4.508
3 H3 GLY 1 HT3 GLY 1 -3.666 3.815 -5.057
4 HA2 GLY 1 HA2 GLY 1 -1.106 4.324 -6.409
5 HA3 GLY 1 HA1 GLY 1 -1.120 3.453 -4.875
6 H ABA 2 H ABA 2 -0.386 2.372 -7.445
7 HA ABA 2 HA ABA 2 -2.373 0.906 -8.725
8 HB3 ABA 2 HB1 ABA 2 -0.121 1.063 -9.625
9 HB2 ABA 2 HB2 ABA 2 -0.558 -0.601 -9.406
10 HG1 ABA 2 HG ABA 2 1.316 0.976 -7.559
11 H CYS 3 H CYS 3 -1.493 0.745 -5.528
12 HA CYS 3 HA CYS 3 -1.468 -1.908 -4.790
13 HB2 CYS 3 HB2 CYS 3 -1.268 0.005 -3.215
14 HB3 CYS 3 HB1 CYS 3 -2.999 0.289 -3.387
15 H SER 4 H SER 4 -3.895 -0.309 -6.495
16 HA SER 4 HA SER 4 -6.241 -1.538 -5.558
17 HB2 SER 4 HB2 SER 4 -7.177 -1.002 -7.751
18 HB3 SER 4 HB1 SER 4 -6.204 0.343 -7.165
19 HG SER 4 HG SER 4 -5.016 -1.667 -8.726
20 H ASP 5 H ASP 5 -3.574 -2.800 -7.363
21 HA ASP 5 HA ASP 5 -4.991 -5.352 -7.604
22 HB2 ASP 5 HB2 ASP 5 -3.274 -4.045 -9.701
23 HB3 ASP 5 HB1 ASP 5 -3.782 -5.732 -9.767
24 HA PRO 6 HA PRO 6 -1.490 -7.231 -5.567
25 HB2 PRO 6 HB2 PRO 6 -1.604 -9.455 -7.523
26 HB3 PRO 6 HB1 PRO 6 -1.794 -9.499 -5.759
27 HG2 PRO 6 HG2 PRO 6 -3.859 -9.826 -7.449
28 HG3 PRO 6 HG1 PRO 6 -4.031 -9.075 -5.853
29 HD2 PRO 6 HD2 PRO 6 -4.022 -7.799 -8.552
30 HD3 PRO 6 HD1 PRO 6 -4.863 -7.326 -7.064
31 H ARG 7 H ARG 7 -1.495 -7.033 -9.077
32 HA ARG 7 HA ARG 7 1.170 -7.728 -9.608
33 HB2 ARG 7 HB2 ARG 7 0.879 -6.675 -11.732
34 HB3 ARG 7 HB1 ARG 7 -0.687 -7.362 -11.294
35 HG2 ARG 7 HG2 ARG 7 -1.268 -5.092 -10.313
36 HG3 ARG 7 HG1 ARG 7 0.183 -4.475 -11.097
37 HD2 ARG 7 HD2 ARG 7 -1.713 -4.093 -12.566
38 HD3 ARG 7 HD1 ARG 7 -0.682 -5.329 -13.278
39 HE ARG 7 HE ARG 7 -2.766 -6.452 -11.647
40 HH11 ARG 7 1HH2 ARG 7 -1.971 -5.101 -14.732
41 HH12 ARG 7 2HH2 ARG 7 -3.227 -5.942 -15.578
42 HH21 ARG 7 1HH1 ARG 7 -4.416 -7.559 -12.750
43 HH22 ARG 7 2HH1 ARG 7 -4.611 -7.334 -14.456
44 H ABA 8 H ABA 8 -0.160 -4.939 -8.095
45 HA ABA 8 HA ABA 8 2.475 -3.594 -8.247
46 HB3 ABA 8 HB1 ABA 8 -0.277 -2.399 -8.031
47 HB2 ABA 8 HB2 ABA 8 0.832 -2.297 -9.403
48 HG1 ABA 8 HG ABA 8 2.243 -1.252 -7.130
49 H ARG 9 H ARG 9 1.721 -5.618 -6.396
50 HA ARG 9 HA ARG 9 0.981 -4.511 -3.891
51 HB2 ARG 9 HB2 ARG 9 1.704 -6.629 -2.969
52 HB3 ARG 9 HB1 ARG 9 0.814 -6.926 -4.462
53 HG2 ARG 9 HG2 ARG 9 3.035 -6.975 -5.667
54 HG3 ARG 9 HG1 ARG 9 3.821 -6.929 -4.089
55 HD2 ARG 9 HD2 ARG 9 2.689 -8.993 -3.431
56 HD3 ARG 9 HD1 ARG 9 1.824 -9.027 -4.965
57 HE ARG 9 HE ARG 9 3.783 -9.774 -6.006
58 HH11 ARG 9 1HH2 ARG 9 4.357 -8.731 -2.757
59 HH12 ARG 9 2HH2 ARG 9 5.964 -9.373 -2.688
60 HH21 ARG 9 1HH1 ARG 9 5.890 -10.619 -5.923
61 HH22 ARG 9 2HH1 ARG 9 6.832 -10.442 -4.480
62 H TYR 10 H TYR 10 3.834 -4.356 -5.738
63 HA TYR 10 HA TYR 10 5.767 -4.261 -3.654
64 HB2 TYR 10 HB2 TYR 10 6.127 -2.707 -6.186
65 HB3 TYR 10 HB1 TYR 10 7.288 -3.704 -5.306
66 HD1 TYR 10 HD1 TYR 10 6.390 -6.277 -5.021
67 HD2 TYR 10 HD2 TYR 10 5.413 -3.581 -8.220
68 HE1 TYR 10 HE1 TYR 10 5.850 -8.206 -6.484
69 HE2 TYR 10 HE2 TYR 10 4.875 -5.507 -9.681
70 HH TYR 10 HH TYR 10 5.793 -8.233 -9.542
71 H ARG 11 H ARG 11 4.220 -1.646 -5.546
72 HA ARG 11 HA ARG 11 5.302 0.470 -4.010
73 HB2 ARG 11 HB2 ARG 11 2.848 0.334 -5.779
74 HB3 ARG 11 HB1 ARG 11 3.470 1.824 -5.070
75 HG2 ARG 11 HG2 ARG 11 5.373 0.080 -6.581
76 HG3 ARG 11 HG1 ARG 11 4.228 1.058 -7.497
77 HD2 ARG 11 HD2 ARG 11 5.007 3.080 -6.313
78 HD3 ARG 11 HD1 ARG 11 6.149 2.105 -5.394
79 HE ARG 11 HE ARG 11 6.620 1.661 -8.132
80 HH11 ARG 11 1HH2 ARG 11 6.796 4.160 -5.744
81 HH12 ARG 11 2HH2 ARG 11 8.107 4.991 -6.511
82 HH21 ARG 11 1HH1 ARG 11 8.340 2.747 -9.143
83 HH22 ARG 11 2HH1 ARG 11 8.981 4.192 -8.436
84 H CYS 12 H CYS 12 2.339 -1.406 -3.769
85 HA CYS 12 HA CYS 12 0.963 0.153 -1.883
86 HB2 CYS 12 HB2 CYS 12 0.114 -1.884 -3.130
87 HB3 CYS 12 HB1 CYS 12 0.959 -2.860 -1.934
88 H ARG 13 H ARG 13 3.315 -2.460 -1.393
89 HA ARG 13 HA ARG 13 3.249 -2.167 1.482
90 HB2 ARG 13 HB2 ARG 13 4.579 -3.944 -0.478
91 HB3 ARG 13 HB1 ARG 13 5.467 -3.658 1.018
92 HG2 ARG 13 HG2 ARG 13 4.008 -5.614 1.273
93 HG3 ARG 13 HG1 ARG 13 3.445 -4.305 2.307
94 HD2 ARG 13 HD2 ARG 13 1.677 -3.745 0.796
95 HD3 ARG 13 HD1 ARG 13 2.352 -4.760 -0.474
96 HE ARG 13 HE ARG 13 1.834 -6.439 1.686
97 HH11 ARG 13 1HH2 ARG 13 0.113 -4.312 -0.432
98 HH12 ARG 13 2HH2 ARG 13 -1.365 -5.212 -0.360
99 HH21 ARG 13 1HH1 ARG 13 -0.101 -7.624 1.787
100 HH22 ARG 13 2HH1 ARG 13 -1.486 -7.087 0.896
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -6.233 2.768 -9.048
2 H2 GLY 1 HT2 GLY 1 -6.317 1.523 -7.896
3 H3 GLY 1 HT3 GLY 1 -5.819 1.182 -9.485
4 HA2 GLY 1 HA2 GLY 1 -3.947 2.867 -9.012
5 HA3 GLY 1 HA1 GLY 1 -4.348 2.538 -7.326
6 H ABA 2 H ABA 2 -1.911 1.848 -8.844
7 HA ABA 2 HA ABA 2 -1.892 -0.921 -9.442
8 HB3 ABA 2 HB1 ABA 2 -0.069 1.207 -9.594
9 HB2 ABA 2 HB2 ABA 2 0.177 -0.437 -10.158
10 HG1 ABA 2 HG ABA 2 1.279 0.818 -7.656
11 H CYS 3 H CYS 3 -1.156 0.908 -6.482
12 HA CYS 3 HA CYS 3 -0.132 -1.066 -4.870
13 HB2 CYS 3 HB2 CYS 3 -0.264 0.705 -3.494
14 HB3 CYS 3 HB1 CYS 3 -1.538 1.439 -4.467
15 H SER 4 H SER 4 -3.574 -0.339 -5.372
16 HA SER 4 HA SER 4 -4.577 -2.451 -3.797
17 HB2 SER 4 HB2 SER 4 -5.795 -0.968 -6.131
18 HB3 SER 4 HB1 SER 4 -6.677 -2.117 -5.130
19 HG SER 4 HG SER 4 -6.230 -0.803 -3.339
20 H ASP 5 H ASP 5 -3.749 -2.245 -7.231
21 HA ASP 5 HA ASP 5 -4.759 -4.779 -7.917
22 HB2 ASP 5 HB2 ASP 5 -2.657 -3.128 -9.271
23 HB3 ASP 5 HB1 ASP 5 -3.443 -4.537 -9.970
24 HA PRO 6 HA PRO 6 -1.646 -7.458 -5.984
25 HB2 PRO 6 HB2 PRO 6 -2.192 -9.203 -8.344
26 HB3 PRO 6 HB1 PRO 6 -2.219 -9.600 -6.614
27 HG2 PRO 6 HG2 PRO 6 -4.457 -9.290 -8.028
28 HG3 PRO 6 HG1 PRO 6 -4.342 -8.804 -6.325
29 HD2 PRO 6 HD2 PRO 6 -4.429 -7.109 -8.769
30 HD3 PRO 6 HD1 PRO 6 -4.962 -6.768 -7.119
31 H ARG 7 H ARG 7 -1.642 -6.810 -9.446
32 HA ARG 7 HA ARG 7 0.981 -7.704 -10.011
33 HB2 ARG 7 HB2 ARG 7 0.757 -6.604 -12.100
34 HB3 ARG 7 HB1 ARG 7 -0.864 -7.160 -11.673
35 HG2 ARG 7 HG2 ARG 7 -1.207 -4.848 -10.613
36 HG3 ARG 7 HG1 ARG 7 0.259 -4.368 -11.468
37 HD2 ARG 7 HD2 ARG 7 -1.588 -3.794 -12.892
38 HD3 ARG 7 HD1 ARG 7 -0.818 -5.214 -13.596
39 HE ARG 7 HE ARG 7 -2.919 -5.973 -11.818
40 HH11 ARG 7 1HH2 ARG 7 -2.237 -4.658 -14.946
41 HH12 ARG 7 2HH2 ARG 7 -3.698 -5.248 -15.665
42 HH21 ARG 7 1HH1 ARG 7 -4.837 -6.750 -12.754
43 HH22 ARG 7 2HH1 ARG 7 -5.171 -6.432 -14.424
44 H ABA 8 H ABA 8 -0.153 -4.912 -8.376
45 HA ABA 8 HA ABA 8 2.605 -3.869 -8.315
46 HB3 ABA 8 HB1 ABA 8 0.074 -2.407 -8.967
47 HB2 ABA 8 HB2 ABA 8 1.620 -2.373 -9.791
48 HG1 ABA 8 HG ABA 8 2.346 -1.320 -7.344
49 H ARG 9 H ARG 9 1.186 -5.546 -6.446
50 HA ARG 9 HA ARG 9 0.205 -4.090 -4.224
51 HB2 ARG 9 HB2 ARG 9 -0.186 -6.487 -4.471
52 HB3 ARG 9 HB1 ARG 9 1.543 -6.804 -4.329
53 HG2 ARG 9 HG2 ARG 9 1.571 -5.992 -2.060
54 HG3 ARG 9 HG1 ARG 9 -0.084 -5.405 -2.200
55 HD2 ARG 9 HD2 ARG 9 -0.002 -7.552 -0.985
56 HD3 ARG 9 HD1 ARG 9 -0.889 -7.711 -2.497
57 HE ARG 9 HE ARG 9 0.818 -9.087 -3.306
58 HH11 ARG 9 1HH2 ARG 9 1.715 -7.522 -0.354
59 HH12 ARG 9 2HH2 ARG 9 3.141 -8.476 -0.120
60 HH21 ARG 9 1HH1 ARG 9 2.685 -10.342 -3.007
61 HH22 ARG 9 2HH1 ARG 9 3.691 -10.072 -1.622
62 H TYR 10 H TYR 10 3.363 -4.543 -5.476
63 HA TYR 10 HA TYR 10 4.892 -4.329 -3.103
64 HB2 TYR 10 HB2 TYR 10 5.826 -3.197 -5.719
65 HB3 TYR 10 HB1 TYR 10 6.728 -4.079 -4.491
66 HD1 TYR 10 HD2 TYR 10 6.250 -6.555 -4.134
67 HD2 TYR 10 HD1 TYR 10 4.747 -4.329 -7.484
68 HE1 TYR 10 HE2 TYR 10 5.801 -8.674 -5.340
69 HE2 TYR 10 HE1 TYR 10 4.298 -6.444 -8.687
70 HH TYR 10 HH TYR 10 5.536 -9.447 -7.660
71 H ARG 11 H ARG 11 3.580 -1.915 -5.318
72 HA ARG 11 HA ARG 11 4.902 0.339 -4.251
73 HB2 ARG 11 HB2 ARG 11 2.252 0.074 -5.680
74 HB3 ARG 11 HB1 ARG 11 2.987 1.623 -5.269
75 HG2 ARG 11 HG2 ARG 11 4.673 -0.383 -6.705
76 HG3 ARG 11 HG1 ARG 11 3.442 0.478 -7.627
77 HD2 ARG 11 HD2 ARG 11 4.372 2.626 -6.925
78 HD3 ARG 11 HD1 ARG 11 5.564 1.812 -5.917
79 HE ARG 11 HE ARG 11 5.815 0.855 -8.559
80 HH11 ARG 11 1HH2 ARG 11 6.243 3.721 -6.667
81 HH12 ARG 11 2HH2 ARG 11 7.521 4.348 -7.654
82 HH21 ARG 11 1HH1 ARG 11 7.491 1.671 -9.857
83 HH22 ARG 11 2HH1 ARG 11 8.227 3.188 -9.460
84 H CYS 12 H CYS 12 1.856 -1.208 -3.396
85 HA CYS 12 HA CYS 12 0.999 0.747 -1.533
86 HB2 CYS 12 HB2 CYS 12 -0.100 -1.524 -2.602
87 HB3 CYS 12 HB1 CYS 12 0.224 -2.025 -0.943
88 H ARG 13 H ARG 13 2.927 -2.187 -1.209
89 HA ARG 13 HA ARG 13 3.248 -1.777 1.657
90 HB2 ARG 13 HB2 ARG 13 4.346 -3.856 -0.248
91 HB3 ARG 13 HB1 ARG 13 4.681 -3.828 1.486
92 HG2 ARG 13 HG2 ARG 13 2.313 -4.047 1.996
93 HG3 ARG 13 HG1 ARG 13 1.898 -3.927 0.285
94 HD2 ARG 13 HD2 ARG 13 1.881 -6.273 0.962
95 HD3 ARG 13 HD1 ARG 13 3.216 -5.987 -0.151
96 HE ARG 13 HE ARG 13 4.709 -6.401 1.598
97 HH11 ARG 13 1HH2 ARG 13 1.459 -6.050 2.733
98 HH12 ARG 13 2HH2 ARG 13 1.812 -6.602 4.336
99 HH21 ARG 13 1HH1 ARG 13 5.179 -7.126 3.699
100 HH22 ARG 13 2HH1 ARG 13 3.918 -7.211 4.883
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