Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
583765 | 2mtu RC | 25187 | 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 -1.789 3.446 -7.898
2 H2 GLY 1 HT2 GLY 1 -0.092 3.472 -7.972
3 H3 GLY 1 HT3 GLY 1 -0.876 2.802 -6.622
4 HA2 GLY 1 HA2 GLY 1 -1.757 1.547 -9.012
5 HA3 GLY 1 HA1 GLY 1 -0.002 1.458 -8.856
6 H CYS 2 H CYS 2 0.561 1.152 -6.313
7 HA CYS 2 HA CYS 2 -0.874 -1.308 -5.529
8 HB2 CYS 2 HB2 CYS 2 1.096 -2.006 -4.467
9 HB3 CYS 2 HB1 CYS 2 1.588 -1.381 -6.031
10 H ABA 3 H ABA 3 -2.151 0.908 -4.890
11 HA ABA 3 HA ABA 3 -1.480 1.813 -2.217
12 HB3 ABA 3 HB1 ABA 3 -4.145 2.391 -3.420
13 HB2 ABA 3 HB2 ABA 3 -2.727 3.092 -4.198
14 HG1 ABA 3 HG ABA 3 -2.494 4.624 -2.407
15 H SER 4 H SER 4 -3.970 -0.186 -3.750
16 HA SER 4 HA SER 4 -5.324 -0.758 -1.275
17 HB2 SER 4 HB2 SER 4 -6.686 -2.253 -2.584
18 HB3 SER 4 HB1 SER 4 -6.420 -0.794 -3.534
19 HG SER 4 HG SER 4 -4.543 -2.825 -3.796
20 H ASP 5 H ASP 5 -2.484 -1.904 -2.749
21 HA ASP 5 HA ASP 5 -2.655 -4.568 -1.672
22 HB2 ASP 5 HB2 ASP 5 -0.358 -3.124 -2.960
23 HB3 ASP 5 HB1 ASP 5 -0.377 -4.836 -2.522
24 HA PRO 6 HA PRO 6 -0.977 -3.046 2.272
25 HB2 PRO 6 HB2 PRO 6 -1.139 -5.391 3.659
26 HB3 PRO 6 HB1 PRO 6 -2.552 -4.372 3.322
27 HG2 PRO 6 HG2 PRO 6 -1.654 -6.867 1.981
28 HG3 PRO 6 HG1 PRO 6 -3.292 -6.311 2.364
29 HD2 PRO 6 HD2 PRO 6 -2.147 -6.128 -0.140
30 HD3 PRO 6 HD1 PRO 6 -3.469 -5.085 0.437
31 H ARG 7 H ARG 7 0.274 -5.554 0.280
32 HA ARG 7 HA ARG 7 2.651 -6.022 1.847
33 HB2 ARG 7 HB2 ARG 7 1.957 -6.809 -0.998
34 HB3 ARG 7 HB1 ARG 7 3.351 -7.391 -0.091
35 HG2 ARG 7 HG2 ARG 7 0.592 -7.704 1.062
36 HG3 ARG 7 HG1 ARG 7 1.166 -8.849 -0.148
37 HD2 ARG 7 HD2 ARG 7 2.562 -8.204 2.473
38 HD3 ARG 7 HD1 ARG 7 1.643 -9.662 2.132
39 HE ARG 7 HE ARG 7 4.313 -9.035 1.178
40 HH11 ARG 7 1HH2 ARG 7 1.429 -10.911 0.810
41 HH12 ARG 7 2HH2 ARG 7 2.210 -12.197 -0.047
42 HH21 ARG 7 1HH1 ARG 7 5.345 -10.717 0.055
43 HH22 ARG 7 2HH1 ARG 7 4.426 -12.087 -0.475
44 H CYS 8 H CYS 8 1.618 -3.600 -0.298
45 HA CYS 8 HA CYS 8 4.211 -3.008 -1.440
46 HB2 CYS 8 HB2 CYS 8 1.773 -2.435 -2.294
47 HB3 CYS 8 HB1 CYS 8 2.012 -0.986 -1.321
48 H ARG 9 H ARG 9 5.464 -1.114 -0.982
49 HA ARG 9 HA ARG 9 5.943 -0.653 1.736
50 HB2 ARG 9 HB2 ARG 9 7.601 -0.251 -0.064
51 HB3 ARG 9 HB1 ARG 9 6.648 1.128 -0.611
52 HG2 ARG 9 HG2 ARG 9 6.952 2.240 1.537
53 HG3 ARG 9 HG1 ARG 9 7.812 0.837 2.168
54 HD2 ARG 9 HD2 ARG 9 9.570 1.143 0.474
55 HD3 ARG 9 HD1 ARG 9 8.704 2.528 -0.185
56 HE ARG 9 HE ARG 9 9.132 2.999 2.551
57 HH11 ARG 9 1HH2 ARG 9 10.894 2.595 -0.399
58 HH12 ARG 9 2HH2 ARG 9 12.208 3.615 0.084
59 HH21 ARG 9 1HH1 ARG 9 10.851 4.337 3.193
60 HH22 ARG 9 2HH1 ARG 9 12.184 4.600 2.118
61 H TYR 10 H TYR 10 4.141 1.263 -0.655
62 HA TYR 10 HA TYR 10 3.273 3.091 1.478
63 HB2 TYR 10 HB2 TYR 10 4.103 4.126 -0.581
64 HB3 TYR 10 HB1 TYR 10 2.911 3.233 -1.525
65 HD1 TYR 10 HD2 TYR 10 3.194 5.630 1.336
66 HD2 TYR 10 HD1 TYR 10 0.774 4.140 -1.885
67 HE1 TYR 10 HE2 TYR 10 1.517 7.401 1.778
68 HE2 TYR 10 HE1 TYR 10 -0.902 5.912 -1.444
69 HH TYR 10 HH TYR 10 -1.096 8.041 -0.401
70 H ARG 11 H ARG 11 1.403 2.727 2.471
71 HA ARG 11 HA ARG 11 -0.668 1.142 1.072
72 HB2 ARG 11 HB2 ARG 11 0.225 0.045 3.088
73 HB3 ARG 11 HB1 ARG 11 -0.199 1.462 4.047
74 HG2 ARG 11 HG2 ARG 11 -2.561 1.149 3.565
75 HG3 ARG 11 HG1 ARG 11 -2.195 -0.165 2.448
76 HD2 ARG 11 HD2 ARG 11 -2.915 -1.073 4.607
77 HD3 ARG 11 HD1 ARG 11 -1.223 -1.466 4.319
78 HE ARG 11 HE ARG 11 -1.486 0.977 5.783
79 HH11 ARG 11 1HH2 ARG 11 -1.663 -2.472 6.007
80 HH12 ARG 11 2HH2 ARG 11 -1.238 -2.523 7.685
81 HH21 ARG 11 1HH1 ARG 11 -0.928 0.918 7.985
82 HH22 ARG 11 2HH1 ARG 11 -0.822 -0.604 8.805
83 H ABA 12 H ABA 12 -2.608 2.039 0.727
84 HA ABA 12 HA ABA 12 -3.220 4.603 2.071
85 HB3 ABA 12 HB1 ABA 12 -2.730 5.162 -0.183
86 HB2 ABA 12 HB2 ABA 12 -4.488 5.152 -0.060
87 HG1 ABA 12 HG ABA 12 -4.201 2.602 -0.875
88 H ARG 13 H ARG 13 -5.744 5.042 1.392
89 HA ARG 13 HA ARG 13 -7.909 4.507 1.944
90 HB2 ARG 13 HB2 ARG 13 -7.524 2.916 0.026
91 HB3 ARG 13 HB1 ARG 13 -7.130 1.677 1.218
92 HG2 ARG 13 HG2 ARG 13 -9.360 2.062 2.284
93 HG3 ARG 13 HG1 ARG 13 -9.752 3.180 0.977
94 HD2 ARG 13 HD2 ARG 13 -9.015 0.261 0.617
95 HD3 ARG 13 HD1 ARG 13 -10.650 0.909 0.545
96 HE ARG 13 HE ARG 13 -8.576 1.197 -1.484
97 HH11 ARG 13 1HH2 ARG 13 -11.619 2.228 -0.196
98 HH12 ARG 13 2HH2 ARG 13 -12.169 2.922 -1.684
99 HH21 ARG 13 1HH1 ARG 13 -9.291 2.107 -3.437
100 HH22 ARG 13 2HH1 ARG 13 -10.851 2.855 -3.518
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -3.079 3.915 -6.598
2 H2 GLY 1 HT2 GLY 1 -2.047 5.109 -7.230
3 H3 GLY 1 HT3 GLY 1 -2.964 5.426 -5.835
4 HA2 GLY 1 HA2 GLY 1 -0.379 4.497 -5.931
5 HA3 GLY 1 HA1 GLY 1 -1.422 4.578 -4.509
6 H CYS 2 H CYS 2 -0.126 2.636 -3.902
7 HA CYS 2 HA CYS 2 -1.081 0.174 -5.226
8 HB2 CYS 2 HB2 CYS 2 0.792 -0.918 -4.053
9 HB3 CYS 2 HB1 CYS 2 1.318 0.335 -5.173
10 H ABA 3 H ABA 3 -2.924 1.294 -3.727
11 HA ABA 3 HA ABA 3 -2.870 0.397 -0.984
12 HB3 ABA 3 HB1 ABA 3 -5.111 1.282 -0.836
13 HB2 ABA 3 HB2 ABA 3 -5.235 1.381 -2.592
14 HG1 ABA 3 HG ABA 3 -3.506 3.189 -2.612
15 H SER 4 H SER 4 -3.909 -0.856 -4.042
16 HA SER 4 HA SER 4 -5.807 -2.750 -3.170
17 HB2 SER 4 HB2 SER 4 -5.393 -3.866 -5.304
18 HB3 SER 4 HB1 SER 4 -5.478 -2.122 -5.540
19 HG SER 4 HG SER 4 -3.227 -2.068 -5.582
20 H ASP 5 H ASP 5 -2.293 -2.770 -3.204
21 HA ASP 5 HA ASP 5 -2.324 -5.544 -2.242
22 HB2 ASP 5 HB2 ASP 5 -0.033 -3.931 -3.345
23 HB3 ASP 5 HB1 ASP 5 0.064 -5.600 -2.772
24 HA PRO 6 HA PRO 6 -1.409 -3.561 1.731
25 HB2 PRO 6 HB2 PRO 6 -1.409 -5.810 3.276
26 HB3 PRO 6 HB1 PRO 6 -2.894 -5.020 2.710
27 HG2 PRO 6 HG2 PRO 6 -1.529 -7.449 1.675
28 HG3 PRO 6 HG1 PRO 6 -3.258 -7.100 1.835
29 HD2 PRO 6 HD2 PRO 6 -1.867 -6.925 -0.536
30 HD3 PRO 6 HD1 PRO 6 -3.361 -6.020 -0.193
31 H ARG 7 H ARG 7 0.468 -5.900 0.074
32 HA ARG 7 HA ARG 7 2.647 -5.974 1.970
33 HB2 ARG 7 HB2 ARG 7 2.433 -6.914 -0.899
34 HB3 ARG 7 HB1 ARG 7 3.828 -7.193 0.144
35 HG2 ARG 7 HG2 ARG 7 2.417 -8.412 1.742
36 HG3 ARG 7 HG1 ARG 7 0.996 -8.102 0.741
37 HD2 ARG 7 HD2 ARG 7 1.822 -10.344 0.271
38 HD3 ARG 7 HD1 ARG 7 2.100 -9.320 -1.135
39 HE ARG 7 HE ARG 7 4.397 -9.505 -0.764
40 HH11 ARG 7 1HH2 ARG 7 2.563 -10.691 1.920
41 HH12 ARG 7 2HH2 ARG 7 3.928 -11.399 2.717
42 HH21 ARG 7 1HH1 ARG 7 6.192 -10.431 0.276
43 HH22 ARG 7 2HH1 ARG 7 5.982 -11.251 1.787
44 H CYS 8 H CYS 8 1.572 -3.786 -0.393
45 HA CYS 8 HA CYS 8 4.050 -2.802 -1.369
46 HB2 CYS 8 HB2 CYS 8 1.889 -2.313 -2.451
47 HB3 CYS 8 HB1 CYS 8 1.412 -1.354 -1.050
48 H ARG 9 H ARG 9 5.495 -1.405 -0.510
49 HA ARG 9 HA ARG 9 5.523 -0.866 2.253
50 HB2 ARG 9 HB2 ARG 9 7.045 0.389 -0.038
51 HB3 ARG 9 HB1 ARG 9 7.373 0.742 1.658
52 HG2 ARG 9 HG2 ARG 9 7.839 -1.623 2.091
53 HG3 ARG 9 HG1 ARG 9 7.442 -2.026 0.420
54 HD2 ARG 9 HD2 ARG 9 9.870 -1.859 0.677
55 HD3 ARG 9 HD1 ARG 9 9.283 -0.557 -0.354
56 HE ARG 9 HE ARG 9 9.900 0.971 1.295
57 HH11 ARG 9 1HH2 ARG 9 9.938 -2.278 2.487
58 HH12 ARG 9 2HH2 ARG 9 10.714 -1.867 3.980
59 HH21 ARG 9 1HH1 ARG 9 10.918 1.516 3.250
60 HH22 ARG 9 2HH1 ARG 9 11.268 0.281 4.413
61 H TYR 10 H TYR 10 4.535 1.110 -0.515
62 HA TYR 10 HA TYR 10 3.964 3.426 1.121
63 HB2 TYR 10 HB2 TYR 10 4.668 3.730 -1.198
64 HB3 TYR 10 HB1 TYR 10 3.277 2.805 -1.763
65 HD1 TYR 10 HD1 TYR 10 4.264 5.883 0.097
66 HD2 TYR 10 HD2 TYR 10 1.151 3.824 -2.030
67 HE1 TYR 10 HE1 TYR 10 2.878 7.938 0.136
68 HE2 TYR 10 HE2 TYR 10 -0.235 5.881 -1.991
69 HH TYR 10 HH TYR 10 0.985 8.904 -1.265
70 H ARG 11 H ARG 11 2.089 3.913 2.097
71 HA ARG 11 HA ARG 11 -0.244 2.170 1.566
72 HB2 ARG 11 HB2 ARG 11 0.516 3.660 4.091
73 HB3 ARG 11 HB1 ARG 11 -0.943 2.690 3.876
74 HG2 ARG 11 HG2 ARG 11 0.472 0.706 3.392
75 HG3 ARG 11 HG1 ARG 11 1.911 1.682 3.688
76 HD2 ARG 11 HD2 ARG 11 1.404 0.470 5.717
77 HD3 ARG 11 HD1 ARG 11 1.028 2.169 5.987
78 HE ARG 11 HE ARG 11 -1.225 1.598 6.155
79 HH11 ARG 11 1HH2 ARG 11 0.648 -0.996 4.836
80 HH12 ARG 11 2HH2 ARG 11 -0.638 -2.152 4.923
81 HH21 ARG 11 1HH1 ARG 11 -2.916 0.086 6.273
82 HH22 ARG 11 2HH1 ARG 11 -2.656 -1.540 5.736
83 H ABA 12 H ABA 12 -2.199 3.081 1.145
84 HA ABA 12 HA ABA 12 -2.246 6.017 0.816
85 HB3 ABA 12 HB1 ABA 12 -2.566 4.875 -1.283
86 HB2 ABA 12 HB2 ABA 12 -4.114 5.560 -0.791
87 HG1 ABA 12 HG ABA 12 -4.396 3.076 0.312
88 H ARG 13 H ARG 13 -4.329 7.082 1.199
89 HA ARG 13 HA ARG 13 -5.628 5.953 3.580
90 HB2 ARG 13 HB2 ARG 13 -4.727 8.239 3.749
91 HB3 ARG 13 HB1 ARG 13 -5.758 8.744 2.410
92 HG2 ARG 13 HG2 ARG 13 -7.760 8.247 3.688
93 HG3 ARG 13 HG1 ARG 13 -6.800 7.551 4.996
94 HD2 ARG 13 HD2 ARG 13 -5.759 9.732 5.416
95 HD3 ARG 13 HD1 ARG 13 -6.657 10.437 4.073
96 HE ARG 13 HE ARG 13 -8.535 9.305 5.802
97 HH11 ARG 13 1HH2 ARG 13 -6.095 11.759 5.818
98 HH12 ARG 13 2HH2 ARG 13 -6.904 12.750 6.986
99 HH21 ARG 13 1HH1 ARG 13 -9.601 10.599 7.334
100 HH22 ARG 13 2HH1 ARG 13 -8.889 12.093 7.844
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -2.394 4.988 -6.991
2 H2 GLY 1 HT2 GLY 1 -1.082 3.996 -7.412
3 H3 GLY 1 HT3 GLY 1 -0.811 5.585 -6.876
4 HA2 GLY 1 HA2 GLY 1 -0.398 4.584 -4.918
5 HA3 GLY 1 HA1 GLY 1 -2.158 4.647 -4.792
6 H CYS 2 H CYS 2 -0.180 2.667 -3.751
7 HA CYS 2 HA CYS 2 -1.109 0.237 -5.155
8 HB2 CYS 2 HB2 CYS 2 0.753 -0.878 -3.967
9 HB3 CYS 2 HB1 CYS 2 1.276 0.369 -5.094
10 H ABA 3 H ABA 3 -2.969 1.297 -3.654
11 HA ABA 3 HA ABA 3 -2.940 0.344 -0.931
12 HB3 ABA 3 HB1 ABA 3 -5.152 1.237 -0.756
13 HB2 ABA 3 HB2 ABA 3 -5.339 1.284 -2.508
14 HG1 ABA 3 HG ABA 3 -3.725 3.153 -2.655
15 H SER 4 H SER 4 -3.904 -0.865 -4.026
16 HA SER 4 HA SER 4 -5.807 -2.791 -3.230
17 HB2 SER 4 HB2 SER 4 -5.325 -3.870 -5.372
18 HB3 SER 4 HB1 SER 4 -5.435 -2.124 -5.580
19 HG SER 4 HG SER 4 -3.403 -3.740 -6.144
20 H ASP 5 H ASP 5 -2.294 -2.785 -3.216
21 HA ASP 5 HA ASP 5 -2.325 -5.557 -2.259
22 HB2 ASP 5 HB2 ASP 5 -0.036 -3.955 -3.369
23 HB3 ASP 5 HB1 ASP 5 0.056 -5.625 -2.796
24 HA PRO 6 HA PRO 6 -1.399 -3.581 1.725
25 HB2 PRO 6 HB2 PRO 6 -1.395 -5.845 3.261
26 HB3 PRO 6 HB1 PRO 6 -2.880 -5.047 2.707
27 HG2 PRO 6 HG2 PRO 6 -1.522 -7.468 1.643
28 HG3 PRO 6 HG1 PRO 6 -3.250 -7.119 1.814
29 HD2 PRO 6 HD2 PRO 6 -1.878 -6.931 -0.561
30 HD3 PRO 6 HD1 PRO 6 -3.361 -6.016 -0.200
31 H ARG 7 H ARG 7 0.474 -5.894 0.039
32 HA ARG 7 HA ARG 7 2.654 -6.000 1.932
33 HB2 ARG 7 HB2 ARG 7 2.497 -6.869 -0.968
34 HB3 ARG 7 HB1 ARG 7 3.819 -7.235 0.138
35 HG2 ARG 7 HG2 ARG 7 1.031 -7.945 0.965
36 HG3 ARG 7 HG1 ARG 7 1.844 -8.970 -0.216
37 HD2 ARG 7 HD2 ARG 7 3.039 -8.208 2.465
38 HD3 ARG 7 HD1 ARG 7 2.173 -9.710 2.165
39 HE ARG 7 HE ARG 7 4.151 -9.546 0.218
40 HH11 ARG 7 1HH2 ARG 7 3.901 -9.644 3.668
41 HH12 ARG 7 2HH2 ARG 7 5.423 -10.440 3.892
42 HH21 ARG 7 1HH1 ARG 7 6.148 -10.589 0.505
43 HH22 ARG 7 2HH1 ARG 7 6.695 -10.976 2.102
44 H CYS 8 H CYS 8 1.582 -3.784 -0.400
45 HA CYS 8 HA CYS 8 4.057 -2.785 -1.362
46 HB2 CYS 8 HB2 CYS 8 1.911 -2.281 -2.454
47 HB3 CYS 8 HB1 CYS 8 1.401 -1.361 -1.039
48 H ARG 9 H ARG 9 5.492 -1.396 -0.496
49 HA ARG 9 HA ARG 9 5.515 -0.877 2.273
50 HB2 ARG 9 HB2 ARG 9 7.053 0.364 -0.015
51 HB3 ARG 9 HB1 ARG 9 7.371 0.733 1.681
52 HG2 ARG 9 HG2 ARG 9 7.906 -1.576 2.154
53 HG3 ARG 9 HG1 ARG 9 7.393 -2.074 0.541
54 HD2 ARG 9 HD2 ARG 9 9.836 -1.912 0.631
55 HD3 ARG 9 HD1 ARG 9 9.185 -0.680 -0.447
56 HE ARG 9 HE ARG 9 9.487 0.326 2.212
57 HH11 ARG 9 1HH2 ARG 9 11.182 -0.523 -0.682
58 HH12 ARG 9 2HH2 ARG 9 12.477 0.597 -0.417
59 HH21 ARG 9 1HH1 ARG 9 11.181 1.797 2.567
60 HH22 ARG 9 2HH1 ARG 9 12.477 1.910 1.423
61 H TYR 10 H TYR 10 4.547 1.110 -0.490
62 HA TYR 10 HA TYR 10 3.981 3.423 1.151
63 HB2 TYR 10 HB2 TYR 10 4.708 3.747 -1.153
64 HB3 TYR 10 HB1 TYR 10 3.332 2.815 -1.745
65 HD1 TYR 10 HD2 TYR 10 4.267 5.891 0.148
66 HD2 TYR 10 HD1 TYR 10 1.208 3.823 -2.048
67 HE1 TYR 10 HE2 TYR 10 2.867 7.938 0.171
68 HE2 TYR 10 HE1 TYR 10 -0.193 5.870 -2.024
69 HH TYR 10 HH TYR 10 0.999 8.894 -0.563
70 H ARG 11 H ARG 11 2.101 3.928 2.107
71 HA ARG 11 HA ARG 11 -0.233 2.189 1.564
72 HB2 ARG 11 HB2 ARG 11 0.565 3.689 4.069
73 HB3 ARG 11 HB1 ARG 11 -0.969 2.843 3.863
74 HG2 ARG 11 HG2 ARG 11 0.240 0.733 3.457
75 HG3 ARG 11 HG1 ARG 11 1.778 1.574 3.658
76 HD2 ARG 11 HD2 ARG 11 1.142 2.181 5.966
77 HD3 ARG 11 HD1 ARG 11 -0.388 1.332 5.766
78 HE ARG 11 HE ARG 11 1.714 -0.451 5.171
79 HH11 ARG 11 1HH2 ARG 11 0.331 1.316 7.805
80 HH12 ARG 11 2HH2 ARG 11 0.805 0.163 9.009
81 HH21 ARG 11 1HH1 ARG 11 2.339 -1.967 6.743
82 HH22 ARG 11 2HH1 ARG 11 1.942 -1.696 8.406
83 H ABA 12 H ABA 12 -2.187 3.098 1.111
84 HA ABA 12 HA ABA 12 -2.200 6.017 0.666
85 HB3 ABA 12 HB1 ABA 12 -2.603 4.826 -1.372
86 HB2 ABA 12 HB2 ABA 12 -4.150 5.490 -0.847
87 HG1 ABA 12 HG ABA 12 -4.253 2.997 0.352
88 H ARG 13 H ARG 13 -4.867 6.511 0.500
89 HA ARG 13 HA ARG 13 -5.671 6.305 3.302
90 HB2 ARG 13 HB2 ARG 13 -5.766 8.505 2.219
91 HB3 ARG 13 HB1 ARG 13 -6.872 7.868 1.002
92 HG2 ARG 13 HG2 ARG 13 -8.563 7.426 2.681
93 HG3 ARG 13 HG1 ARG 13 -7.446 7.847 3.979
94 HD2 ARG 13 HD2 ARG 13 -7.344 10.153 3.191
95 HD3 ARG 13 HD1 ARG 13 -8.357 9.754 1.807
96 HE ARG 13 HE ARG 13 -9.789 9.026 4.087
97 HH11 ARG 13 1HH2 ARG 13 -8.413 11.859 2.653
98 HH12 ARG 13 2HH2 ARG 13 -9.594 12.937 3.318
99 HH21 ARG 13 1HH1 ARG 13 -11.342 10.434 4.962
100 HH22 ARG 13 2HH1 ARG 13 -11.252 12.131 4.625
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -0.940 3.560 -9.315
2 H2 GLY 1 HT2 GLY 1 -1.711 3.839 -7.828
3 H3 GLY 1 HT3 GLY 1 -1.884 2.340 -8.610
4 HA2 GLY 1 HA2 GLY 1 0.755 2.415 -8.409
5 HA3 GLY 1 HA1 GLY 1 0.302 3.350 -6.983
6 H CYS 2 H CYS 2 1.155 1.569 -5.715
7 HA CYS 2 HA CYS 2 -0.611 -0.804 -5.639
8 HB2 CYS 2 HB2 CYS 2 1.204 -1.935 -4.513
9 HB3 CYS 2 HB1 CYS 2 1.742 -1.295 -6.061
10 H ABA 3 H ABA 3 -1.659 1.327 -4.550
11 HA ABA 3 HA ABA 3 -1.063 1.521 -1.722
12 HB3 ABA 3 HB1 ABA 3 -2.952 2.895 -3.586
13 HB2 ABA 3 HB2 ABA 3 -1.736 3.587 -2.513
14 HG1 ABA 3 HG ABA 3 -4.360 2.355 -1.540
15 H SER 4 H SER 4 -3.503 0.087 -3.794
16 HA SER 4 HA SER 4 -5.341 -0.645 -1.766
17 HB2 SER 4 HB2 SER 4 -6.274 -2.164 -3.430
18 HB3 SER 4 HB1 SER 4 -5.898 -0.615 -4.179
19 HG SER 4 HG SER 4 -4.585 -1.645 -5.442
20 H ASP 5 H ASP 5 -2.289 -1.939 -2.738
21 HA ASP 5 HA ASP 5 -2.819 -4.469 -1.405
22 HB2 ASP 5 HB2 ASP 5 -0.396 -3.532 -2.918
23 HB3 ASP 5 HB1 ASP 5 -0.610 -5.144 -2.222
24 HA PRO 6 HA PRO 6 -0.888 -2.604 2.262
25 HB2 PRO 6 HB2 PRO 6 -1.215 -4.726 3.962
26 HB3 PRO 6 HB1 PRO 6 -2.528 -3.613 3.533
27 HG2 PRO 6 HG2 PRO 6 -1.949 -6.342 2.508
28 HG3 PRO 6 HG1 PRO 6 -3.504 -5.566 2.859
29 HD2 PRO 6 HD2 PRO 6 -2.462 -5.838 0.324
30 HD3 PRO 6 HD1 PRO 6 -3.625 -4.575 0.788
31 H ARG 7 H ARG 7 0.107 -5.414 0.575
32 HA ARG 7 HA ARG 7 2.454 -5.941 2.173
33 HB2 ARG 7 HB2 ARG 7 1.557 -6.936 -0.538
34 HB3 ARG 7 HB1 ARG 7 3.040 -7.465 0.258
35 HG2 ARG 7 HG2 ARG 7 1.718 -8.236 2.202
36 HG3 ARG 7 HG1 ARG 7 0.238 -7.725 1.389
37 HD2 ARG 7 HD2 ARG 7 0.719 -9.287 -0.464
38 HD3 ARG 7 HD1 ARG 7 2.189 -9.803 0.358
39 HE ARG 7 HE ARG 7 -0.537 -10.537 1.056
40 HH11 ARG 7 1HH2 ARG 7 2.779 -10.280 2.013
41 HH12 ARG 7 2HH2 ARG 7 2.654 -11.473 3.262
42 HH21 ARG 7 1HH1 ARG 7 -0.707 -12.103 2.693
43 HH22 ARG 7 2HH1 ARG 7 0.681 -12.505 3.648
44 H CYS 8 H CYS 8 1.609 -3.672 -0.210
45 HA CYS 8 HA CYS 8 4.258 -3.382 -1.348
46 HB2 CYS 8 HB2 CYS 8 1.969 -2.842 -2.460
47 HB3 CYS 8 HB1 CYS 8 2.075 -1.326 -1.566
48 H ARG 9 H ARG 9 5.407 -1.276 -1.243
49 HA ARG 9 HA ARG 9 6.019 -0.570 1.411
50 HB2 ARG 9 HB2 ARG 9 6.566 0.837 -1.208
51 HB3 ARG 9 HB1 ARG 9 7.223 1.374 0.338
52 HG2 ARG 9 HG2 ARG 9 8.324 -0.794 0.652
53 HG3 ARG 9 HG1 ARG 9 7.626 -1.385 -0.856
54 HD2 ARG 9 HD2 ARG 9 9.925 -0.661 -1.249
55 HD3 ARG 9 HD1 ARG 9 8.812 0.417 -2.086
56 HE ARG 9 HE ARG 9 9.452 2.134 -0.640
57 HH11 ARG 9 1HH2 ARG 9 10.580 -0.951 0.451
58 HH12 ARG 9 2HH2 ARG 9 11.605 -0.294 1.683
59 HH21 ARG 9 1HH1 ARG 9 10.796 3.002 0.973
60 HH22 ARG 9 2HH1 ARG 9 11.728 1.943 1.977
61 H TYR 10 H TYR 10 3.902 0.936 -0.992
62 HA TYR 10 HA TYR 10 3.065 2.922 1.029
63 HB2 TYR 10 HB2 TYR 10 3.863 3.617 -1.330
64 HB3 TYR 10 HB1 TYR 10 2.314 2.984 -1.887
65 HD1 TYR 10 HD1 TYR 10 0.173 3.963 -1.027
66 HD2 TYR 10 HD2 TYR 10 4.007 5.661 -0.090
67 HE1 TYR 10 HE1 TYR 10 -0.932 6.064 -0.306
68 HE2 TYR 10 HE2 TYR 10 2.900 7.760 0.631
69 HH TYR 10 HH TYR 10 -0.645 8.126 0.446
70 H ARG 11 H ARG 11 1.043 2.893 1.841
71 HA ARG 11 HA ARG 11 -0.971 1.160 0.566
72 HB2 ARG 11 HB2 ARG 11 -1.621 0.265 2.749
73 HB3 ARG 11 HB1 ARG 11 0.068 -0.112 2.411
74 HG2 ARG 11 HG2 ARG 11 0.754 1.856 3.769
75 HG3 ARG 11 HG1 ARG 11 -0.939 2.161 4.157
76 HD2 ARG 11 HD2 ARG 11 -1.104 -0.070 5.195
77 HD3 ARG 11 HD1 ARG 11 0.589 -0.373 4.817
78 HE ARG 11 HE ARG 11 0.393 2.031 6.289
79 HH11 ARG 11 1HH2 ARG 11 -0.023 -1.389 6.600
80 HH12 ARG 11 2HH2 ARG 11 0.373 -1.424 8.286
81 HH21 ARG 11 1HH1 ARG 11 0.915 1.994 8.499
82 HH22 ARG 11 2HH1 ARG 11 0.906 0.492 9.361
83 H ABA 12 H ABA 12 -3.149 1.726 1.022
84 HA ABA 12 HA ABA 12 -3.518 4.377 2.281
85 HB3 ABA 12 HB1 ABA 12 -4.581 5.251 0.475
86 HB2 ABA 12 HB2 ABA 12 -5.315 3.713 0.031
87 HG1 ABA 12 HG ABA 12 -2.526 4.659 -0.726
88 H ARG 13 H ARG 13 -5.644 4.762 3.126
89 HA ARG 13 HA ARG 13 -6.859 2.320 4.160
90 HB2 ARG 13 HB2 ARG 13 -8.083 3.811 5.655
91 HB3 ARG 13 HB1 ARG 13 -6.367 4.213 5.682
92 HG2 ARG 13 HG2 ARG 13 -6.826 5.994 3.966
93 HG3 ARG 13 HG1 ARG 13 -8.548 5.659 4.151
94 HD2 ARG 13 HD2 ARG 13 -8.415 6.206 6.542
95 HD3 ARG 13 HD1 ARG 13 -6.686 6.510 6.386
96 HE ARG 13 HE ARG 13 -7.175 8.550 5.352
97 HH11 ARG 13 1HH2 ARG 13 -9.990 6.569 5.712
98 HH12 ARG 13 2HH2 ARG 13 -11.100 7.830 5.288
99 HH21 ARG 13 1HH1 ARG 13 -8.624 10.207 4.795
100 HH22 ARG 13 2HH1 ARG 13 -10.326 9.889 4.768
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 2.899 4.646 -6.167
2 H2 GLY 1 HT2 GLY 1 1.295 5.207 -6.192
3 H3 GLY 1 HT3 GLY 1 1.701 3.751 -6.968
4 HA2 GLY 1 HA2 GLY 1 2.536 3.192 -4.510
5 HA3 GLY 1 HA1 GLY 1 1.194 4.283 -4.162
6 H CYS 2 H CYS 2 1.561 1.283 -3.885
7 HA CYS 2 HA CYS 2 -0.711 0.401 -5.551
8 HB2 CYS 2 HB2 CYS 2 0.325 -1.899 -4.513
9 HB3 CYS 2 HB1 CYS 2 0.771 -1.223 -6.075
10 H ABA 3 H ABA 3 -2.093 1.517 -3.986
11 HA ABA 3 HA ABA 3 -2.314 0.584 -1.295
12 HB3 ABA 3 HB1 ABA 3 -4.674 1.685 -1.584
13 HB2 ABA 3 HB2 ABA 3 -4.004 2.273 -3.106
14 HG1 ABA 3 HG ABA 3 -1.991 3.128 -1.571
15 H SER 4 H SER 4 -3.096 -0.819 -4.249
16 HA SER 4 HA SER 4 -5.519 -2.158 -3.559
17 HB2 SER 4 HB2 SER 4 -5.125 -3.487 -5.551
18 HB3 SER 4 HB1 SER 4 -4.740 -1.804 -5.898
19 HG SER 4 HG SER 4 -2.710 -2.327 -6.134
20 H ASP 5 H ASP 5 -2.190 -2.697 -2.831
21 HA ASP 5 HA ASP 5 -2.885 -5.306 -1.675
22 HB2 ASP 5 HB2 ASP 5 -1.439 -5.977 -3.326
23 HB3 ASP 5 HB1 ASP 5 -0.502 -4.485 -3.250
24 HA PRO 6 HA PRO 6 -1.609 -3.443 2.175
25 HB2 PRO 6 HB2 PRO 6 -1.258 -5.716 3.663
26 HB3 PRO 6 HB1 PRO 6 -2.853 -5.051 3.261
27 HG2 PRO 6 HG2 PRO 6 -1.376 -7.322 2.033
28 HG3 PRO 6 HG1 PRO 6 -3.109 -7.141 2.355
29 HD2 PRO 6 HD2 PRO 6 -1.997 -6.798 -0.126
30 HD3 PRO 6 HD1 PRO 6 -3.494 -5.990 0.409
31 H ARG 7 H ARG 7 0.335 -5.874 0.588
32 HA ARG 7 HA ARG 7 2.651 -5.499 2.260
33 HB2 ARG 7 HB2 ARG 7 2.337 -6.865 -0.429
34 HB3 ARG 7 HB1 ARG 7 3.778 -6.937 0.584
35 HG2 ARG 7 HG2 ARG 7 1.126 -7.706 1.759
36 HG3 ARG 7 HG1 ARG 7 1.983 -8.862 0.739
37 HD2 ARG 7 HD2 ARG 7 3.113 -7.512 3.212
38 HD3 ARG 7 HD1 ARG 7 2.572 -9.181 3.117
39 HE ARG 7 HE ARG 7 5.053 -8.104 2.067
40 HH11 ARG 7 1HH2 ARG 7 2.681 -10.623 1.964
41 HH12 ARG 7 2HH2 ARG 7 3.762 -11.802 1.300
42 HH21 ARG 7 1HH1 ARG 7 6.476 -9.646 1.197
43 HH22 ARG 7 2HH1 ARG 7 5.910 -11.250 0.866
44 H CYS 8 H CYS 8 1.217 -3.673 -0.156
45 HA CYS 8 HA CYS 8 3.427 -2.748 -1.646
46 HB2 CYS 8 HB2 CYS 8 1.139 -2.323 -2.355
47 HB3 CYS 8 HB1 CYS 8 0.845 -1.341 -0.921
48 H ARG 9 H ARG 9 5.024 -1.373 -1.202
49 HA ARG 9 HA ARG 9 5.639 -0.623 1.427
50 HB2 ARG 9 HB2 ARG 9 7.441 0.687 0.460
51 HB3 ARG 9 HB1 ARG 9 7.294 -0.831 -0.427
52 HG2 ARG 9 HG2 ARG 9 5.818 0.407 -2.082
53 HG3 ARG 9 HG1 ARG 9 6.292 1.900 -1.270
54 HD2 ARG 9 HD2 ARG 9 7.760 1.546 -3.176
55 HD3 ARG 9 HD1 ARG 9 8.683 1.324 -1.693
56 HE ARG 9 HE ARG 9 7.612 -1.160 -2.607
57 HH11 ARG 9 1HH2 ARG 9 10.057 1.218 -3.190
58 HH12 ARG 9 2HH2 ARG 9 11.172 0.099 -3.900
59 HH21 ARG 9 1HH1 ARG 9 9.068 -2.633 -3.539
60 HH22 ARG 9 2HH1 ARG 9 10.611 -2.082 -4.099
61 H TYR 10 H TYR 10 3.647 0.896 -0.956
62 HA TYR 10 HA TYR 10 3.642 3.453 0.486
63 HB2 TYR 10 HB2 TYR 10 3.770 3.459 -1.995
64 HB3 TYR 10 HB1 TYR 10 2.198 2.663 -2.054
65 HD1 TYR 10 HD2 TYR 10 3.927 5.707 -0.742
66 HD2 TYR 10 HD1 TYR 10 0.208 3.923 -1.944
67 HE1 TYR 10 HE2 TYR 10 2.802 7.907 -0.527
68 HE2 TYR 10 HE1 TYR 10 -0.915 6.125 -1.731
69 HH TYR 10 HH TYR 10 -0.295 8.516 -1.778
70 H ARG 11 H ARG 11 2.288 3.644 2.145
71 HA ARG 11 HA ARG 11 -0.079 1.949 2.332
72 HB2 ARG 11 HB2 ARG 11 1.168 3.941 4.236
73 HB3 ARG 11 HB1 ARG 11 -0.305 3.036 4.587
74 HG2 ARG 11 HG2 ARG 11 0.920 0.916 4.279
75 HG3 ARG 11 HG1 ARG 11 2.396 1.819 3.931
76 HD2 ARG 11 HD2 ARG 11 2.317 2.836 6.169
77 HD3 ARG 11 HD1 ARG 11 0.827 1.965 6.520
78 HE ARG 11 HE ARG 11 2.083 0.025 6.842
79 HH11 ARG 11 1HH2 ARG 11 3.958 2.541 5.382
80 HH12 ARG 11 2HH2 ARG 11 5.468 1.715 5.570
81 HH21 ARG 11 1HH1 ARG 11 4.061 -1.065 7.091
82 HH22 ARG 11 2HH1 ARG 11 5.526 -0.327 6.537
83 H ABA 12 H ABA 12 -2.181 2.657 2.281
84 HA ABA 12 HA ABA 12 -2.877 5.436 2.253
85 HB3 ABA 12 HB1 ABA 12 -1.947 4.815 -0.108
86 HB2 ABA 12 HB2 ABA 12 -3.438 5.740 0.021
87 HG1 ABA 12 HG ABA 12 -4.739 3.568 -0.300
88 H ARG 13 H ARG 13 -5.289 5.631 1.536
89 HA ARG 13 HA ARG 13 -6.732 3.496 2.945
90 HB2 ARG 13 HB2 ARG 13 -8.016 6.046 2.027
91 HB3 ARG 13 HB1 ARG 13 -8.366 5.070 3.453
92 HG2 ARG 13 HG2 ARG 13 -5.864 6.743 3.040
93 HG3 ARG 13 HG1 ARG 13 -7.216 7.173 4.083
94 HD2 ARG 13 HD2 ARG 13 -5.412 4.756 4.391
95 HD3 ARG 13 HD1 ARG 13 -5.442 6.173 5.431
96 HE ARG 13 HE ARG 13 -7.347 3.984 5.434
97 HH11 ARG 13 1HH2 ARG 13 -6.673 7.277 6.255
98 HH12 ARG 13 2HH2 ARG 13 -7.863 7.353 7.510
99 HH21 ARG 13 1HH1 ARG 13 -8.911 4.076 7.079
100 HH22 ARG 13 2HH1 ARG 13 -9.131 5.540 7.977
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 0.951 5.008 -2.789
2 H2 GLY 1 HT2 GLY 1 -0.513 4.414 -3.413
3 H3 GLY 1 HT3 GLY 1 0.290 5.693 -4.192
4 HA2 GLY 1 HA2 GLY 1 1.526 4.316 -5.387
5 HA3 GLY 1 HA1 GLY 1 2.011 3.450 -3.928
6 H CYS 2 H CYS 2 1.150 1.490 -3.526
7 HA CYS 2 HA CYS 2 -0.976 0.537 -5.340
8 HB2 CYS 2 HB2 CYS 2 0.156 -1.728 -4.262
9 HB3 CYS 2 HB1 CYS 2 0.545 -1.039 -5.831
10 H ABA 3 H ABA 3 -2.484 1.540 -3.830
11 HA ABA 3 HA ABA 3 -2.795 0.729 -1.144
12 HB3 ABA 3 HB1 ABA 3 -5.342 1.307 -1.936
13 HB2 ABA 3 HB2 ABA 3 -4.408 2.135 -3.177
14 HG1 ABA 3 HG ABA 3 -3.906 3.814 -1.604
15 H SER 4 H SER 4 -3.658 -0.750 -4.166
16 HA SER 4 HA SER 4 -5.684 -2.504 -3.308
17 HB2 SER 4 HB2 SER 4 -5.185 -3.771 -5.337
18 HB3 SER 4 HB1 SER 4 -5.192 -2.042 -5.674
19 HG SER 4 HG SER 4 -2.899 -2.101 -5.443
20 H ASP 5 H ASP 5 -2.166 -2.777 -3.135
21 HA ASP 5 HA ASP 5 -2.450 -5.511 -2.092
22 HB2 ASP 5 HB2 ASP 5 -0.018 -3.992 -3.032
23 HB3 ASP 5 HB1 ASP 5 0.019 -5.630 -2.387
24 HA PRO 6 HA PRO 6 -1.719 -3.828 1.990
25 HB2 PRO 6 HB2 PRO 6 -1.204 -6.125 3.358
26 HB3 PRO 6 HB1 PRO 6 -2.835 -5.676 2.821
27 HG2 PRO 6 HG2 PRO 6 -0.903 -7.594 1.612
28 HG3 PRO 6 HG1 PRO 6 -2.661 -7.727 1.802
29 HD2 PRO 6 HD2 PRO 6 -1.455 -7.018 -0.562
30 HD3 PRO 6 HD1 PRO 6 -3.096 -6.509 -0.109
31 H ARG 7 H ARG 7 0.591 -5.954 0.425
32 HA ARG 7 HA ARG 7 2.749 -5.372 2.251
33 HB2 ARG 7 HB2 ARG 7 2.658 -6.777 -0.425
34 HB3 ARG 7 HB1 ARG 7 4.122 -6.603 0.544
35 HG2 ARG 7 HG2 ARG 7 3.031 -7.768 2.420
36 HG3 ARG 7 HG1 ARG 7 1.559 -7.937 1.463
37 HD2 ARG 7 HD2 ARG 7 2.804 -9.252 -0.215
38 HD3 ARG 7 HD1 ARG 7 4.269 -9.091 0.748
39 HE ARG 7 HE ARG 7 2.011 -10.836 1.303
40 HH11 ARG 7 1HH2 ARG 7 4.825 -9.203 2.482
41 HH12 ARG 7 2HH2 ARG 7 5.063 -10.283 3.816
42 HH21 ARG 7 1HH1 ARG 7 2.317 -12.257 3.050
43 HH22 ARG 7 2HH1 ARG 7 3.643 -12.012 4.137
44 H CYS 8 H CYS 8 1.272 -3.634 -0.161
45 HA CYS 8 HA CYS 8 3.326 -2.490 -1.653
46 HB2 CYS 8 HB2 CYS 8 0.947 -2.079 -2.102
47 HB3 CYS 8 HB1 CYS 8 0.813 -1.162 -0.605
48 H ARG 9 H ARG 9 4.801 -0.898 -1.306
49 HA ARG 9 HA ARG 9 5.707 -0.386 1.303
50 HB2 ARG 9 HB2 ARG 9 6.225 1.019 -1.325
51 HB3 ARG 9 HB1 ARG 9 7.046 1.460 0.172
52 HG2 ARG 9 HG2 ARG 9 7.022 -1.424 -0.630
53 HG3 ARG 9 HG1 ARG 9 8.103 -0.326 -1.488
54 HD2 ARG 9 HD2 ARG 9 8.000 -0.549 1.533
55 HD3 ARG 9 HD1 ARG 9 9.140 -1.436 0.528
56 HE ARG 9 HE ARG 9 9.353 1.256 -0.179
57 HH11 ARG 9 1HH2 ARG 9 9.809 -0.780 2.582
58 HH12 ARG 9 2HH2 ARG 9 11.065 0.197 3.266
59 HH21 ARG 9 1HH1 ARG 9 10.998 2.542 0.712
60 HH22 ARG 9 2HH1 ARG 9 11.738 2.078 2.209
61 H TYR 10 H TYR 10 3.622 1.483 -0.861
62 HA TYR 10 HA TYR 10 3.321 3.568 1.181
63 HB2 TYR 10 HB2 TYR 10 3.609 4.109 -1.286
64 HB3 TYR 10 HB1 TYR 10 2.000 3.432 -1.538
65 HD1 TYR 10 HD1 TYR 10 3.850 5.951 0.511
66 HD2 TYR 10 HD2 TYR 10 0.086 4.767 -1.187
67 HE1 TYR 10 HE1 TYR 10 2.845 8.099 1.241
68 HE2 TYR 10 HE2 TYR 10 -0.918 6.914 -0.457
69 HH TYR 10 HH TYR 10 0.747 9.545 0.332
70 H ARG 11 H ARG 11 1.973 2.963 2.775
71 HA ARG 11 HA ARG 11 -0.217 1.156 2.402
72 HB2 ARG 11 HB2 ARG 11 0.625 2.952 4.668
73 HB3 ARG 11 HB1 ARG 11 -0.808 1.931 4.750
74 HG2 ARG 11 HG2 ARG 11 0.632 -0.052 4.237
75 HG3 ARG 11 HG1 ARG 11 2.046 1.002 4.313
76 HD2 ARG 11 HD2 ARG 11 0.067 0.678 6.582
77 HD3 ARG 11 HD1 ARG 11 1.571 -0.221 6.458
78 HE ARG 11 HE ARG 11 2.788 1.795 6.798
79 HH11 ARG 11 1HH2 ARG 11 -0.648 2.205 6.908
80 HH12 ARG 11 2HH2 ARG 11 -0.572 3.729 7.718
81 HH21 ARG 11 1HH1 ARG 11 2.891 3.793 7.853
82 HH22 ARG 11 2HH1 ARG 11 1.429 4.634 8.248
83 H ABA 12 H ABA 12 -0.709 2.930 0.519
84 HA ABA 12 HA ABA 12 -2.243 4.378 -0.346
85 HB3 ABA 12 HB1 ABA 12 -4.455 4.400 0.922
86 HB2 ABA 12 HB2 ABA 12 -3.713 3.249 2.019
87 HG1 ABA 12 HG ABA 12 -4.041 1.541 0.431
88 H ARG 13 H ARG 13 -0.570 5.048 2.298
89 HA ARG 13 HA ARG 13 -1.282 7.856 2.233
90 HB2 ARG 13 HB2 ARG 13 -1.892 8.113 4.517
91 HB3 ARG 13 HB1 ARG 13 -2.853 6.762 3.919
92 HG2 ARG 13 HG2 ARG 13 -1.027 5.225 4.812
93 HG3 ARG 13 HG1 ARG 13 -0.352 6.636 5.620
94 HD2 ARG 13 HD2 ARG 13 -2.509 7.001 6.774
95 HD3 ARG 13 HD1 ARG 13 -3.156 5.558 6.000
96 HE ARG 13 HE ARG 13 -0.739 4.951 7.382
97 HH11 ARG 13 1HH2 ARG 13 -4.088 5.692 7.839
98 HH12 ARG 13 2HH2 ARG 13 -4.219 4.816 9.327
99 HH21 ARG 13 1HH1 ARG 13 -0.904 3.801 9.330
100 HH22 ARG 13 2HH1 ARG 13 -2.417 3.746 10.172
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -1.074 6.130 -6.257
2 H2 GLY 1 HT2 GLY 1 -2.369 5.065 -6.529
3 H3 GLY 1 HT3 GLY 1 -0.791 4.618 -6.972
4 HA2 GLY 1 HA2 GLY 1 -0.164 4.779 -4.569
5 HA3 GLY 1 HA1 GLY 1 -1.891 4.922 -4.238
6 H CYS 2 H CYS 2 -0.044 2.777 -3.472
7 HA CYS 2 HA CYS 2 -1.161 0.507 -4.996
8 HB2 CYS 2 HB2 CYS 2 0.671 -0.791 -3.899
9 HB3 CYS 2 HB1 CYS 2 1.221 0.452 -5.019
10 H ABA 3 H ABA 3 -3.049 1.276 -3.561
11 HA ABA 3 HA ABA 3 -2.976 0.309 -0.824
12 HB3 ABA 3 HB1 ABA 3 -5.153 1.207 -0.595
13 HB2 ABA 3 HB2 ABA 3 -5.429 1.191 -2.337
14 HG1 ABA 3 HG ABA 3 -3.801 3.068 -2.612
15 H SER 4 H SER 4 -3.921 -0.831 -3.958
16 HA SER 4 HA SER 4 -5.789 -2.806 -3.226
17 HB2 SER 4 HB2 SER 4 -5.275 -3.827 -5.388
18 HB3 SER 4 HB1 SER 4 -5.397 -2.077 -5.556
19 HG SER 4 HG SER 4 -3.323 -3.690 -6.079
20 H ASP 5 H ASP 5 -2.267 -2.776 -3.174
21 HA ASP 5 HA ASP 5 -2.296 -5.570 -2.262
22 HB2 ASP 5 HB2 ASP 5 -0.004 -3.949 -3.347
23 HB3 ASP 5 HB1 ASP 5 0.085 -5.628 -2.805
24 HA PRO 6 HA PRO 6 -1.368 -3.627 1.718
25 HB2 PRO 6 HB2 PRO 6 -1.355 -5.887 3.246
26 HB3 PRO 6 HB1 PRO 6 -2.843 -5.091 2.697
27 HG2 PRO 6 HG2 PRO 6 -1.489 -7.516 1.636
28 HG3 PRO 6 HG1 PRO 6 -3.217 -7.165 1.808
29 HD2 PRO 6 HD2 PRO 6 -1.832 -6.973 -0.571
30 HD3 PRO 6 HD1 PRO 6 -3.328 -6.074 -0.216
31 H ARG 7 H ARG 7 0.499 -5.951 0.025
32 HA ARG 7 HA ARG 7 2.688 -6.053 1.905
33 HB2 ARG 7 HB2 ARG 7 2.467 -6.939 -0.981
34 HB3 ARG 7 HB1 ARG 7 3.858 -7.246 0.060
35 HG2 ARG 7 HG2 ARG 7 2.414 -8.470 1.640
36 HG3 ARG 7 HG1 ARG 7 1.017 -8.159 0.608
37 HD2 ARG 7 HD2 ARG 7 1.843 -10.389 0.128
38 HD3 ARG 7 HD1 ARG 7 2.194 -9.353 -1.252
39 HE ARG 7 HE ARG 7 4.468 -9.579 -0.788
40 HH11 ARG 7 1HH2 ARG 7 2.509 -10.727 1.824
41 HH12 ARG 7 2HH2 ARG 7 3.830 -11.448 2.680
42 HH21 ARG 7 1HH1 ARG 7 6.207 -10.522 0.331
43 HH22 ARG 7 2HH1 ARG 7 5.923 -11.332 1.835
44 H CYS 8 H CYS 8 1.605 -3.817 -0.408
45 HA CYS 8 HA CYS 8 4.099 -2.822 -1.358
46 HB2 CYS 8 HB2 CYS 8 1.947 -2.348 -2.476
47 HB3 CYS 8 HB1 CYS 8 1.444 -1.391 -1.082
48 H ARG 9 H ARG 9 5.527 -1.417 -0.435
49 HA ARG 9 HA ARG 9 5.455 -0.900 2.307
50 HB2 ARG 9 HB2 ARG 9 7.546 -0.926 1.114
51 HB3 ARG 9 HB1 ARG 9 7.022 0.385 0.064
52 HG2 ARG 9 HG2 ARG 9 8.560 1.189 1.802
53 HG3 ARG 9 HG1 ARG 9 6.970 1.913 1.987
54 HD2 ARG 9 HD2 ARG 9 6.426 0.465 3.815
55 HD3 ARG 9 HD1 ARG 9 7.826 -0.562 3.505
56 HE ARG 9 HE ARG 9 7.793 1.972 4.914
57 HH11 ARG 9 1HH2 ARG 9 9.642 -0.355 3.145
58 HH12 ARG 9 2HH2 ARG 9 11.151 0.087 3.871
59 HH21 ARG 9 1HH1 ARG 9 9.766 2.552 5.880
60 HH22 ARG 9 2HH1 ARG 9 11.221 1.733 5.419
61 H TYR 10 H TYR 10 4.651 1.168 -0.469
62 HA TYR 10 HA TYR 10 3.917 3.403 1.202
63 HB2 TYR 10 HB2 TYR 10 4.807 3.794 -1.039
64 HB3 TYR 10 HB1 TYR 10 3.466 2.892 -1.747
65 HD1 TYR 10 HD1 TYR 10 4.302 5.897 0.295
66 HD2 TYR 10 HD2 TYR 10 1.363 3.923 -2.138
67 HE1 TYR 10 HE1 TYR 10 2.914 7.953 0.302
68 HE2 TYR 10 HE2 TYR 10 -0.024 5.978 -2.131
69 HH TYR 10 HH TYR 10 -0.329 7.984 -0.753
70 H ARG 11 H ARG 11 1.990 3.827 2.067
71 HA ARG 11 HA ARG 11 -0.309 2.150 1.253
72 HB2 ARG 11 HB2 ARG 11 0.360 3.398 3.927
73 HB3 ARG 11 HB1 ARG 11 -1.174 2.610 3.558
74 HG2 ARG 11 HG2 ARG 11 0.004 0.516 3.040
75 HG3 ARG 11 HG1 ARG 11 1.552 1.296 3.369
76 HD2 ARG 11 HD2 ARG 11 0.837 1.728 5.694
77 HD3 ARG 11 HD1 ARG 11 -0.701 0.935 5.365
78 HE ARG 11 HE ARG 11 1.876 -0.363 5.754
79 HH11 ARG 11 1HH2 ARG 11 -1.382 -0.557 4.602
80 HH12 ARG 11 2HH2 ARG 11 -1.458 -2.284 4.695
81 HH21 ARG 11 1HH1 ARG 11 1.784 -2.630 5.877
82 HH22 ARG 11 2HH1 ARG 11 0.334 -3.458 5.416
83 H ABA 12 H ABA 12 -2.259 3.118 0.840
84 HA ABA 12 HA ABA 12 -2.175 6.021 0.432
85 HB3 ABA 12 HB1 ABA 12 -2.889 4.891 -1.519
86 HB2 ABA 12 HB2 ABA 12 -4.369 5.525 -0.798
87 HG1 ABA 12 HG ABA 12 -4.405 3.088 0.385
88 H ARG 13 H ARG 13 -4.289 7.183 0.824
89 HA ARG 13 HA ARG 13 -5.424 6.325 3.414
90 HB2 ARG 13 HB2 ARG 13 -5.530 8.559 4.116
91 HB3 ARG 13 HB1 ARG 13 -3.972 8.449 3.305
92 HG2 ARG 13 HG2 ARG 13 -6.537 9.590 2.136
93 HG3 ARG 13 HG1 ARG 13 -5.088 10.481 2.584
94 HD2 ARG 13 HD2 ARG 13 -5.409 8.495 0.332
95 HD3 ARG 13 HD1 ARG 13 -4.931 10.186 0.231
96 HE ARG 13 HE ARG 13 -3.227 7.943 0.951
97 HH11 ARG 13 1HH2 ARG 13 -3.751 11.364 0.967
98 HH12 ARG 13 2HH2 ARG 13 -2.074 11.759 1.146
99 HH21 ARG 13 1HH1 ARG 13 -1.027 8.453 1.188
100 HH22 ARG 13 2HH1 ARG 13 -0.531 10.111 1.271
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 1.187 4.009 -6.935
2 H2 GLY 1 HT2 GLY 1 2.835 4.118 -6.535
3 H3 GLY 1 HT3 GLY 1 1.751 5.317 -6.012
4 HA2 GLY 1 HA2 GLY 1 2.542 3.103 -4.602
5 HA3 GLY 1 HA1 GLY 1 1.208 4.184 -4.202
6 H CYS 2 H CYS 2 1.553 1.205 -3.947
7 HA CYS 2 HA CYS 2 -0.740 0.331 -5.589
8 HB2 CYS 2 HB2 CYS 2 0.305 -1.977 -4.615
9 HB3 CYS 2 HB1 CYS 2 0.736 -1.266 -6.161
10 H ABA 3 H ABA 3 -1.967 1.542 -3.856
11 HA ABA 3 HA ABA 3 -2.137 0.589 -1.200
12 HB3 ABA 3 HB1 ABA 3 -4.558 1.608 -1.458
13 HB2 ABA 3 HB2 ABA 3 -3.906 2.229 -2.973
14 HG1 ABA 3 HG ABA 3 -1.892 3.041 -1.340
15 H SER 4 H SER 4 -3.190 -0.734 -4.164
16 HA SER 4 HA SER 4 -5.465 -2.191 -3.313
17 HB2 SER 4 HB2 SER 4 -5.132 -3.519 -5.326
18 HB3 SER 4 HB1 SER 4 -4.860 -1.817 -5.691
19 HG SER 4 HG SER 4 -2.583 -2.293 -5.295
20 H ASP 5 H ASP 5 -2.013 -2.818 -3.108
21 HA ASP 5 HA ASP 5 -2.572 -5.454 -1.942
22 HB2 ASP 5 HB2 ASP 5 0.015 -4.361 -2.995
23 HB3 ASP 5 HB1 ASP 5 -0.241 -5.973 -2.313
24 HA PRO 6 HA PRO 6 -1.799 -3.443 2.081
25 HB2 PRO 6 HB2 PRO 6 -1.368 -6.261 2.925
26 HB3 PRO 6 HB1 PRO 6 -2.431 -5.026 3.621
27 HG2 PRO 6 HG2 PRO 6 -3.374 -7.051 2.158
28 HG3 PRO 6 HG1 PRO 6 -4.112 -5.442 2.135
29 HD2 PRO 6 HD2 PRO 6 -2.434 -6.772 0.045
30 HD3 PRO 6 HD1 PRO 6 -3.730 -5.561 -0.105
31 H ARG 7 H ARG 7 0.249 -5.885 0.582
32 HA ARG 7 HA ARG 7 2.503 -5.434 2.327
33 HB2 ARG 7 HB2 ARG 7 2.313 -6.872 -0.329
34 HB3 ARG 7 HB1 ARG 7 3.705 -6.909 0.751
35 HG2 ARG 7 HG2 ARG 7 0.912 -7.810 1.521
36 HG3 ARG 7 HG1 ARG 7 2.202 -8.900 1.019
37 HD2 ARG 7 HD2 ARG 7 2.519 -8.990 3.302
38 HD3 ARG 7 HD1 ARG 7 3.535 -7.601 2.943
39 HE ARG 7 HE ARG 7 2.020 -6.270 4.084
40 HH11 ARG 7 1HH2 ARG 7 0.605 -9.313 3.241
41 HH12 ARG 7 2HH2 ARG 7 -0.849 -9.043 4.144
42 HH21 ARG 7 1HH1 ARG 7 0.116 -5.910 5.269
43 HH22 ARG 7 2HH1 ARG 7 -1.126 -7.116 5.292
44 H CYS 8 H CYS 8 1.175 -3.730 -0.252
45 HA CYS 8 HA CYS 8 3.425 -2.830 -1.665
46 HB2 CYS 8 HB2 CYS 8 1.160 -2.409 -2.447
47 HB3 CYS 8 HB1 CYS 8 0.830 -1.401 -1.040
48 H ARG 9 H ARG 9 4.979 -1.374 -1.235
49 HA ARG 9 HA ARG 9 5.549 -0.588 1.392
50 HB2 ARG 9 HB2 ARG 9 7.320 0.769 0.428
51 HB3 ARG 9 HB1 ARG 9 7.224 -0.761 -0.441
52 HG2 ARG 9 HG2 ARG 9 5.818 0.363 -2.179
53 HG3 ARG 9 HG1 ARG 9 6.062 1.894 -1.340
54 HD2 ARG 9 HD2 ARG 9 8.494 1.686 -1.638
55 HD3 ARG 9 HD1 ARG 9 8.266 0.149 -2.468
56 HE ARG 9 HE ARG 9 6.720 2.102 -3.780
57 HH11 ARG 9 1HH2 ARG 9 10.016 1.271 -3.132
58 HH12 ARG 9 2HH2 ARG 9 10.624 1.972 -4.594
59 HH21 ARG 9 1HH1 ARG 9 7.511 3.023 -5.699
60 HH22 ARG 9 2HH1 ARG 9 9.207 2.965 -6.048
61 H TYR 10 H TYR 10 3.594 0.929 -1.050
62 HA TYR 10 HA TYR 10 3.547 3.498 0.325
63 HB2 TYR 10 HB2 TYR 10 3.455 3.313 -2.173
64 HB3 TYR 10 HB1 TYR 10 1.872 2.551 -2.009
65 HD1 TYR 10 HD1 TYR 10 3.735 5.589 -0.842
66 HD2 TYR 10 HD2 TYR 10 -0.035 3.911 -2.034
67 HE1 TYR 10 HE1 TYR 10 2.683 7.827 -0.666
68 HE2 TYR 10 HE2 TYR 10 -1.085 6.150 -1.859
69 HH TYR 10 HH TYR 10 0.745 8.952 -0.671
70 H ARG 11 H ARG 11 2.264 3.867 2.006
71 HA ARG 11 HA ARG 11 -0.016 2.099 2.511
72 HB2 ARG 11 HB2 ARG 11 1.552 2.523 4.355
73 HB3 ARG 11 HB1 ARG 11 1.228 4.252 4.238
74 HG2 ARG 11 HG2 ARG 11 -1.099 3.919 4.836
75 HG3 ARG 11 HG1 ARG 11 -0.904 2.166 4.780
76 HD2 ARG 11 HD2 ARG 11 0.671 2.253 6.650
77 HD3 ARG 11 HD1 ARG 11 0.577 4.011 6.675
78 HE ARG 11 HE ARG 11 -2.030 3.090 6.962
79 HH11 ARG 11 1HH2 ARG 11 1.009 2.826 8.596
80 HH12 ARG 11 2HH2 ARG 11 0.305 2.654 10.169
81 HH21 ARG 11 1HH1 ARG 11 -2.960 2.865 9.022
82 HH22 ARG 11 2HH1 ARG 11 -1.942 2.676 10.411
83 H ABA 12 H ABA 12 -2.068 2.689 2.196
84 HA ABA 12 HA ABA 12 -2.891 5.460 2.287
85 HB3 ABA 12 HB1 ABA 12 -1.938 4.894 -0.082
86 HB2 ABA 12 HB2 ABA 12 -3.455 5.780 0.062
87 HG1 ABA 12 HG ABA 12 -4.722 3.658 -0.361
88 H ARG 13 H ARG 13 -5.210 5.704 2.160
89 HA ARG 13 HA ARG 13 -6.594 3.521 3.412
90 HB2 ARG 13 HB2 ARG 13 -7.505 6.229 2.417
91 HB3 ARG 13 HB1 ARG 13 -8.572 5.081 3.227
92 HG2 ARG 13 HG2 ARG 13 -7.109 5.078 5.199
93 HG3 ARG 13 HG1 ARG 13 -6.002 6.190 4.393
94 HD2 ARG 13 HD2 ARG 13 -7.775 7.885 4.261
95 HD3 ARG 13 HD1 ARG 13 -8.908 6.776 5.028
96 HE ARG 13 HE ARG 13 -6.660 7.057 6.705
97 HH11 ARG 13 1HH2 ARG 13 -9.322 8.870 5.438
98 HH12 ARG 13 2HH2 ARG 13 -9.432 9.926 6.805
99 HH21 ARG 13 1HH1 ARG 13 -6.799 8.439 8.501
100 HH22 ARG 13 2HH1 ARG 13 -8.004 9.683 8.540
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -2.208 4.050 -5.245
2 H2 GLY 1 HT2 GLY 1 -2.626 4.315 -6.870
3 H3 GLY 1 HT3 GLY 1 -1.590 5.397 -6.070
4 HA2 GLY 1 HA2 GLY 1 -0.612 3.629 -7.676
5 HA3 GLY 1 HA1 GLY 1 0.206 3.999 -6.156
6 H CYS 2 H CYS 2 0.924 2.163 -5.257
7 HA CYS 2 HA CYS 2 -0.513 -0.347 -5.656
8 HB2 CYS 2 HB2 CYS 2 2.039 -0.032 -5.731
9 HB3 CYS 2 HB1 CYS 2 1.940 0.053 -3.973
10 H ABA 3 H ABA 3 -2.086 1.321 -4.267
11 HA ABA 3 HA ABA 3 -1.772 0.899 -1.405
12 HB3 ABA 3 HB1 ABA 3 -4.305 1.968 -2.558
13 HB2 ABA 3 HB2 ABA 3 -2.851 2.952 -2.725
14 HG1 ABA 3 HG ABA 3 -3.209 1.895 0.036
15 H SER 4 H SER 4 -3.401 -0.549 -4.092
16 HA SER 4 HA SER 4 -5.506 -1.851 -2.739
17 HB2 SER 4 HB2 SER 4 -5.601 -3.315 -4.688
18 HB3 SER 4 HB1 SER 4 -5.350 -1.651 -5.207
19 HG SER 4 HG SER 4 -3.099 -3.210 -4.674
20 H ASP 5 H ASP 5 -2.091 -2.517 -2.946
21 HA ASP 5 HA ASP 5 -2.498 -5.157 -1.739
22 HB2 ASP 5 HB2 ASP 5 -0.025 -3.948 -2.976
23 HB3 ASP 5 HB1 ASP 5 -0.130 -5.569 -2.286
24 HA PRO 6 HA PRO 6 -1.281 -3.106 2.099
25 HB2 PRO 6 HB2 PRO 6 -1.342 -5.283 3.745
26 HB3 PRO 6 HB1 PRO 6 -2.802 -4.430 3.211
27 HG2 PRO 6 HG2 PRO 6 -1.630 -6.976 2.226
28 HG3 PRO 6 HG1 PRO 6 -3.325 -6.523 2.456
29 HD2 PRO 6 HD2 PRO 6 -2.068 -6.537 0.017
30 HD3 PRO 6 HD1 PRO 6 -3.468 -5.505 0.394
31 H ARG 7 H ARG 7 0.370 -5.687 0.528
32 HA ARG 7 HA ARG 7 2.649 -5.699 2.320
33 HB2 ARG 7 HB2 ARG 7 2.215 -7.000 -0.377
34 HB3 ARG 7 HB1 ARG 7 3.622 -7.258 0.656
35 HG2 ARG 7 HG2 ARG 7 2.249 -8.201 2.407
36 HG3 ARG 7 HG1 ARG 7 0.772 -7.768 1.545
37 HD2 ARG 7 HD2 ARG 7 2.873 -9.676 0.486
38 HD3 ARG 7 HD1 ARG 7 1.385 -10.179 1.284
39 HE ARG 7 HE ARG 7 0.668 -8.465 -0.808
40 HH11 ARG 7 1HH2 ARG 7 2.212 -11.520 -0.305
41 HH12 ARG 7 2HH2 ARG 7 1.696 -12.187 -1.817
42 HH21 ARG 7 1HH1 ARG 7 -0.014 -9.333 -2.794
43 HH22 ARG 7 2HH1 ARG 7 0.436 -10.948 -3.227
44 H CYS 8 H CYS 8 1.592 -3.711 -0.203
45 HA CYS 8 HA CYS 8 4.158 -3.092 -1.326
46 HB2 CYS 8 HB2 CYS 8 1.368 -2.365 -1.744
47 HB3 CYS 8 HB1 CYS 8 2.452 -0.990 -1.893
48 H ARG 9 H ARG 9 5.216 -1.024 -1.146
49 HA ARG 9 HA ARG 9 5.596 -0.151 1.505
50 HB2 ARG 9 HB2 ARG 9 6.960 1.630 0.525
51 HB3 ARG 9 HB1 ARG 9 7.297 0.092 -0.266
52 HG2 ARG 9 HG2 ARG 9 5.741 0.716 -2.099
53 HG3 ARG 9 HG1 ARG 9 5.472 2.277 -1.322
54 HD2 ARG 9 HD2 ARG 9 7.154 2.550 -3.043
55 HD3 ARG 9 HD1 ARG 9 7.922 2.727 -1.472
56 HE ARG 9 HE ARG 9 8.175 0.414 -3.287
57 HH11 ARG 9 1HH2 ARG 9 9.061 2.076 -0.378
58 HH12 ARG 9 2HH2 ARG 9 10.462 1.104 -0.098
59 HH21 ARG 9 1HH1 ARG 9 10.009 -0.856 -2.918
60 HH22 ARG 9 2HH1 ARG 9 11.001 -0.555 -1.529
61 H TYR 10 H TYR 10 3.336 0.807 -0.949
62 HA TYR 10 HA TYR 10 2.541 3.173 0.622
63 HB2 TYR 10 HB2 TYR 10 2.978 3.403 -1.851
64 HB3 TYR 10 HB1 TYR 10 1.591 2.348 -2.127
65 HD1 TYR 10 HD2 TYR 10 2.621 5.537 -0.487
66 HD2 TYR 10 HD1 TYR 10 -0.613 3.207 -2.085
67 HE1 TYR 10 HE2 TYR 10 1.099 7.479 -0.235
68 HE2 TYR 10 HE1 TYR 10 -2.136 5.150 -1.834
69 HH TYR 10 HH TYR 10 -1.739 7.796 -1.755
70 H ARG 11 H ARG 11 1.023 2.799 2.090
71 HA ARG 11 HA ARG 11 -1.060 0.779 1.521
72 HB2 ARG 11 HB2 ARG 11 0.086 1.769 4.134
73 HB3 ARG 11 HB1 ARG 11 -1.359 0.767 4.017
74 HG2 ARG 11 HG2 ARG 11 -0.118 -1.015 2.951
75 HG3 ARG 11 HG1 ARG 11 1.320 0.001 2.827
76 HD2 ARG 11 HD2 ARG 11 1.542 -1.530 4.725
77 HD3 ARG 11 HD1 ARG 11 1.424 0.130 5.301
78 HE ARG 11 HE ARG 11 -1.148 -1.121 5.194
79 HH11 ARG 11 1HH2 ARG 11 1.815 -0.919 6.970
80 HH12 ARG 11 2HH2 ARG 11 1.094 -1.342 8.488
81 HH21 ARG 11 1HH1 ARG 11 -2.100 -1.676 7.181
82 HH22 ARG 11 2HH1 ARG 11 -1.122 -1.770 8.606
83 H ABA 12 H ABA 12 -0.909 3.725 0.832
84 HA ABA 12 HA ABA 12 -2.302 5.540 0.765
85 HB3 ABA 12 HB1 ABA 12 -4.722 5.031 1.002
86 HB2 ABA 12 HB2 ABA 12 -4.303 3.404 1.529
87 HG1 ABA 12 HG ABA 12 -4.128 4.508 -1.260
88 H ARG 13 H ARG 13 -4.465 6.319 2.266
89 HA ARG 13 HA ARG 13 -3.180 7.097 4.735
90 HB2 ARG 13 HB2 ARG 13 -6.026 7.629 3.851
91 HB3 ARG 13 HB1 ARG 13 -5.112 8.505 5.073
92 HG2 ARG 13 HG2 ARG 13 -4.244 8.357 2.177
93 HG3 ARG 13 HG1 ARG 13 -5.273 9.643 2.801
94 HD2 ARG 13 HD2 ARG 13 -3.498 10.157 4.500
95 HD3 ARG 13 HD1 ARG 13 -2.460 8.974 3.711
96 HE ARG 13 HE ARG 13 -3.165 11.602 2.694
97 HH11 ARG 13 1HH2 ARG 13 -1.921 8.433 2.071
98 HH12 ARG 13 2HH2 ARG 13 -1.039 8.907 0.659
99 HH21 ARG 13 1HH1 ARG 13 -2.008 12.231 0.844
100 HH22 ARG 13 2HH1 ARG 13 -1.088 11.057 -0.036
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -0.150 4.344 -8.179
2 H2 GLY 1 HT2 GLY 1 0.844 3.955 -6.856
3 H3 GLY 1 HT3 GLY 1 -0.801 3.532 -6.839
4 HA2 GLY 1 HA2 GLY 1 0.059 2.341 -9.104
5 HA3 GLY 1 HA1 GLY 1 1.439 2.165 -8.020
6 H CYS 2 H CYS 2 1.208 0.986 -6.086
7 HA CYS 2 HA CYS 2 -1.172 -0.765 -6.015
8 HB2 CYS 2 HB2 CYS 2 0.310 -2.332 -4.768
9 HB3 CYS 2 HB1 CYS 2 0.835 -2.020 -6.417
10 H ABA 3 H ABA 3 -2.118 1.122 -4.875
11 HA ABA 3 HA ABA 3 -1.230 1.552 -2.138
12 HB3 ABA 3 HB1 ABA 3 -3.810 2.625 -3.213
13 HB2 ABA 3 HB2 ABA 3 -2.290 3.286 -3.813
14 HG1 ABA 3 HG ABA 3 -1.757 4.180 -1.632
15 H SER 4 H SER 4 -3.768 -0.118 -3.872
16 HA SER 4 HA SER 4 -5.420 -0.671 -1.624
17 HB2 SER 4 HB2 SER 4 -6.543 -2.257 -3.073
18 HB3 SER 4 HB1 SER 4 -6.188 -0.796 -3.990
19 HG SER 4 HG SER 4 -5.037 -3.346 -4.126
20 H ASP 5 H ASP 5 -2.484 -2.036 -2.822
21 HA ASP 5 HA ASP 5 -2.822 -4.515 -1.368
22 HB2 ASP 5 HB2 ASP 5 -0.475 -3.504 -2.941
23 HB3 ASP 5 HB1 ASP 5 -0.638 -5.124 -2.269
24 HA PRO 6 HA PRO 6 -0.926 -2.538 2.242
25 HB2 PRO 6 HB2 PRO 6 -1.183 -4.648 3.961
26 HB3 PRO 6 HB1 PRO 6 -2.534 -3.583 3.523
27 HG2 PRO 6 HG2 PRO 6 -1.868 -6.306 2.535
28 HG3 PRO 6 HG1 PRO 6 -3.447 -5.581 2.876
29 HD2 PRO 6 HD2 PRO 6 -2.391 -5.845 0.353
30 HD3 PRO 6 HD1 PRO 6 -3.606 -4.620 0.807
31 H ARG 7 H ARG 7 0.132 -5.307 0.527
32 HA ARG 7 HA ARG 7 2.489 -5.804 2.110
33 HB2 ARG 7 HB2 ARG 7 1.693 -6.755 -0.652
34 HB3 ARG 7 HB1 ARG 7 3.099 -7.328 0.248
35 HG2 ARG 7 HG2 ARG 7 1.699 -8.215 2.006
36 HG3 ARG 7 HG1 ARG 7 0.262 -7.475 1.299
37 HD2 ARG 7 HD2 ARG 7 1.961 -9.586 -0.060
38 HD3 ARG 7 HD1 ARG 7 0.442 -9.905 0.772
39 HE ARG 7 HE ARG 7 -0.074 -7.906 -1.105
40 HH11 ARG 7 1HH2 ARG 7 1.022 -11.188 -1.007
41 HH12 ARG 7 2HH2 ARG 7 0.362 -11.599 -2.553
42 HH21 ARG 7 1HH1 ARG 7 -0.943 -8.440 -3.135
43 HH22 ARG 7 2HH1 ARG 7 -0.750 -10.044 -3.758
44 H CYS 8 H CYS 8 1.594 -3.487 -0.228
45 HA CYS 8 HA CYS 8 4.191 -3.142 -1.415
46 HB2 CYS 8 HB2 CYS 8 1.503 -2.026 -1.718
47 HB3 CYS 8 HB1 CYS 8 2.775 -0.828 -1.857
48 H ARG 9 H ARG 9 5.374 -1.055 -1.247
49 HA ARG 9 HA ARG 9 6.106 -0.514 1.397
50 HB2 ARG 9 HB2 ARG 9 7.558 -0.069 -0.551
51 HB3 ARG 9 HB1 ARG 9 6.478 1.235 -1.048
52 HG2 ARG 9 HG2 ARG 9 6.917 2.446 1.015
53 HG3 ARG 9 HG1 ARG 9 7.897 1.113 1.623
54 HD2 ARG 9 HD2 ARG 9 9.342 2.875 0.718
55 HD3 ARG 9 HD1 ARG 9 9.466 1.420 -0.267
56 HE ARG 9 HE ARG 9 8.435 2.569 -2.021
57 HH11 ARG 9 1HH2 ARG 9 8.241 4.320 0.957
58 HH12 ARG 9 2HH2 ARG 9 7.664 5.779 0.222
59 HH21 ARG 9 1HH1 ARG 9 7.679 4.478 -2.993
60 HH22 ARG 9 2HH1 ARG 9 7.346 5.868 -2.013
61 H TYR 10 H TYR 10 3.967 1.252 -0.826
62 HA TYR 10 HA TYR 10 3.210 3.054 1.375
63 HB2 TYR 10 HB2 TYR 10 3.869 4.065 -0.800
64 HB3 TYR 10 HB1 TYR 10 2.522 3.224 -1.567
65 HD1 TYR 10 HD2 TYR 10 3.224 5.466 1.359
66 HD2 TYR 10 HD1 TYR 10 0.461 4.315 -1.722
67 HE1 TYR 10 HE2 TYR 10 1.691 7.287 2.054
68 HE2 TYR 10 HE1 TYR 10 -1.071 6.137 -1.027
69 HH TYR 10 HH TYR 10 -0.687 7.843 1.903
70 H ARG 11 H ARG 11 1.493 2.481 2.531
71 HA ARG 11 HA ARG 11 -0.600 0.825 1.269
72 HB2 ARG 11 HB2 ARG 11 0.452 -0.157 3.262
73 HB3 ARG 11 HB1 ARG 11 0.019 1.272 4.200
74 HG2 ARG 11 HG2 ARG 11 -2.348 0.836 3.877
75 HG3 ARG 11 HG1 ARG 11 -1.991 -0.499 2.780
76 HD2 ARG 11 HD2 ARG 11 -0.915 -1.739 4.590
77 HD3 ARG 11 HD1 ARG 11 -1.165 -0.389 5.694
78 HE ARG 11 HE ARG 11 -3.675 -1.078 4.700
79 HH11 ARG 11 1HH2 ARG 11 -1.098 -2.519 6.504
80 HH12 ARG 11 2HH2 ARG 11 -2.134 -3.572 7.407
81 HH21 ARG 11 1HH1 ARG 11 -5.041 -2.456 5.881
82 HH22 ARG 11 2HH1 ARG 11 -4.366 -3.537 7.054
83 H ABA 12 H ABA 12 -2.582 1.626 0.954
84 HA ABA 12 HA ABA 12 -3.423 3.984 2.446
85 HB3 ABA 12 HB1 ABA 12 -2.501 4.832 0.360
86 HB2 ABA 12 HB2 ABA 12 -4.248 5.060 0.407
87 HG1 ABA 12 HG ABA 12 -4.452 2.909 -0.972
88 H ARG 13 H ARG 13 -4.057 1.049 1.126
89 HA ARG 13 HA ARG 13 -6.633 0.853 2.301
90 HB2 ARG 13 HB2 ARG 13 -7.312 2.280 0.423
91 HB3 ARG 13 HB1 ARG 13 -6.608 1.134 -0.715
92 HG2 ARG 13 HG2 ARG 13 -8.185 -0.580 -0.072
93 HG3 ARG 13 HG1 ARG 13 -8.792 0.411 1.255
94 HD2 ARG 13 HD2 ARG 13 -8.941 1.229 -1.656
95 HD3 ARG 13 HD1 ARG 13 -10.253 0.424 -0.801
96 HE ARG 13 HE ARG 13 -9.518 2.652 0.722
97 HH11 ARG 13 1HH2 ARG 13 -10.797 1.897 -2.403
98 HH12 ARG 13 2HH2 ARG 13 -11.704 3.366 -2.540
99 HH21 ARG 13 1HH1 ARG 13 -10.705 4.581 0.550
100 HH22 ARG 13 2HH1 ARG 13 -11.652 4.886 -0.868
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -2.246 2.602 -7.047
2 H2 GLY 1 HT2 GLY 1 -2.378 3.040 -8.683
3 H3 GLY 1 HT3 GLY 1 -1.113 3.660 -7.735
4 HA2 GLY 1 HA2 GLY 1 -1.160 1.305 -9.262
5 HA3 GLY 1 HA1 GLY 1 0.174 1.979 -8.325
6 H CYS 2 H CYS 2 0.633 1.162 -6.302
7 HA CYS 2 HA CYS 2 -0.844 -1.282 -5.549
8 HB2 CYS 2 HB2 CYS 2 1.124 -2.022 -4.484
9 HB3 CYS 2 HB1 CYS 2 1.619 -1.393 -6.048
10 H ABA 3 H ABA 3 -2.110 0.925 -4.880
11 HA ABA 3 HA ABA 3 -1.419 1.795 -2.198
12 HB3 ABA 3 HB1 ABA 3 -4.054 2.434 -3.458
13 HB2 ABA 3 HB2 ABA 3 -2.595 3.149 -4.143
14 HG1 ABA 3 HG ABA 3 -2.480 4.639 -2.312
15 H SER 4 H SER 4 -3.933 -0.144 -3.768
16 HA SER 4 HA SER 4 -5.334 -0.697 -1.326
17 HB2 SER 4 HB2 SER 4 -6.658 -2.220 -2.661
18 HB3 SER 4 HB1 SER 4 -6.397 -0.746 -3.588
19 HG SER 4 HG SER 4 -5.963 -3.013 -4.521
20 H ASP 5 H ASP 5 -2.487 -1.892 -2.762
21 HA ASP 5 HA ASP 5 -2.673 -4.525 -1.609
22 HB2 ASP 5 HB2 ASP 5 -0.382 -3.157 -2.986
23 HB3 ASP 5 HB1 ASP 5 -0.420 -4.855 -2.501
24 HA PRO 6 HA PRO 6 -0.961 -2.916 2.274
25 HB2 PRO 6 HB2 PRO 6 -1.159 -5.216 3.703
26 HB3 PRO 6 HB1 PRO 6 -2.555 -4.179 3.351
27 HG2 PRO 6 HG2 PRO 6 -1.712 -6.725 2.072
28 HG3 PRO 6 HG1 PRO 6 -3.338 -6.131 2.446
29 HD2 PRO 6 HD2 PRO 6 -2.202 -6.032 -0.054
30 HD3 PRO 6 HD1 PRO 6 -3.497 -4.942 0.503
31 H ARG 7 H ARG 7 0.231 -5.508 0.344
32 HA ARG 7 HA ARG 7 2.599 -5.995 1.918
33 HB2 ARG 7 HB2 ARG 7 1.788 -6.856 -0.867
34 HB3 ARG 7 HB1 ARG 7 3.280 -7.362 -0.071
35 HG2 ARG 7 HG2 ARG 7 2.040 -8.424 1.716
36 HG3 ARG 7 HG1 ARG 7 0.516 -7.782 1.100
37 HD2 ARG 7 HD2 ARG 7 0.729 -10.102 0.402
38 HD3 ARG 7 HD1 ARG 7 0.881 -9.064 -1.011
39 HE ARG 7 HE ARG 7 3.449 -9.588 0.083
40 HH11 ARG 7 1HH2 ARG 7 0.835 -11.051 -1.651
41 HH12 ARG 7 2HH2 ARG 7 1.841 -12.195 -2.477
42 HH21 ARG 7 1HH1 ARG 7 4.774 -11.085 -0.997
43 HH22 ARG 7 2HH1 ARG 7 4.071 -12.213 -2.107
44 H CYS 8 H CYS 8 1.619 -3.572 -0.229
45 HA CYS 8 HA CYS 8 4.209 -3.068 -1.427
46 HB2 CYS 8 HB2 CYS 8 1.793 -2.472 -2.301
47 HB3 CYS 8 HB1 CYS 8 2.037 -1.012 -1.344
48 H ARG 9 H ARG 9 5.439 -1.129 -1.066
49 HA ARG 9 HA ARG 9 6.016 -0.643 1.628
50 HB2 ARG 9 HB2 ARG 9 7.624 -0.252 -0.193
51 HB3 ARG 9 HB1 ARG 9 6.635 1.086 -0.778
52 HG2 ARG 9 HG2 ARG 9 6.979 2.322 1.265
53 HG3 ARG 9 HG1 ARG 9 7.792 0.948 2.012
54 HD2 ARG 9 HD2 ARG 9 9.453 2.567 1.229
55 HD3 ARG 9 HD1 ARG 9 9.568 1.085 0.286
56 HE ARG 9 HE ARG 9 7.816 2.965 -0.963
57 HH11 ARG 9 1HH2 ARG 9 11.134 2.201 -0.345
58 HH12 ARG 9 2HH2 ARG 9 11.724 2.992 -1.767
59 HH21 ARG 9 1HH1 ARG 9 8.583 4.005 -2.832
60 HH22 ARG 9 2HH1 ARG 9 10.281 4.013 -3.175
61 H TYR 10 H TYR 10 4.089 1.216 -0.706
62 HA TYR 10 HA TYR 10 3.291 3.057 1.447
63 HB2 TYR 10 HB2 TYR 10 4.078 4.099 -0.626
64 HB3 TYR 10 HB1 TYR 10 2.861 3.214 -1.547
65 HD1 TYR 10 HD2 TYR 10 3.216 5.594 1.322
66 HD2 TYR 10 HD1 TYR 10 0.721 4.129 -1.853
67 HE1 TYR 10 HE2 TYR 10 1.554 7.367 1.810
68 HE2 TYR 10 HE1 TYR 10 -0.942 5.902 -1.365
69 HH TYR 10 HH TYR 10 -1.161 7.971 -0.298
70 H ARG 11 H ARG 11 1.419 2.744 2.454
71 HA ARG 11 HA ARG 11 -0.642 1.089 1.128
72 HB2 ARG 11 HB2 ARG 11 -0.068 1.562 4.061
73 HB3 ARG 11 HB1 ARG 11 -1.474 0.684 3.456
74 HG2 ARG 11 HG2 ARG 11 0.128 -0.838 2.219
75 HG3 ARG 11 HG1 ARG 11 1.441 -0.052 3.097
76 HD2 ARG 11 HD2 ARG 11 -0.919 -1.440 4.396
77 HD3 ARG 11 HD1 ARG 11 0.683 -2.148 4.206
78 HE ARG 11 HE ARG 11 -0.079 -0.046 6.081
79 HH11 ARG 11 1HH2 ARG 11 2.421 -1.804 4.455
80 HH12 ARG 11 2HH2 ARG 11 3.641 -1.418 5.620
81 HH21 ARG 11 1HH1 ARG 11 1.518 0.467 7.612
82 HH22 ARG 11 2HH1 ARG 11 3.131 -0.132 7.407
83 H ABA 12 H ABA 12 -2.735 1.804 1.007
84 HA ABA 12 HA ABA 12 -3.385 4.417 2.186
85 HB3 ABA 12 HB1 ABA 12 -2.702 5.030 -0.023
86 HB2 ABA 12 HB2 ABA 12 -4.464 5.056 -0.007
87 HG1 ABA 12 HG ABA 12 -4.118 2.496 -0.867
88 H ARG 13 H ARG 13 -5.855 4.845 1.340
89 HA ARG 13 HA ARG 13 -7.390 2.835 2.682
90 HB2 ARG 13 HB2 ARG 13 -8.142 5.320 1.138
91 HB3 ARG 13 HB1 ARG 13 -9.338 4.262 1.888
92 HG2 ARG 13 HG2 ARG 13 -8.166 4.557 4.075
93 HG3 ARG 13 HG1 ARG 13 -7.081 5.712 3.301
94 HD2 ARG 13 HD2 ARG 13 -10.093 5.997 3.344
95 HD3 ARG 13 HD1 ARG 13 -9.028 6.771 4.499
96 HE ARG 13 HE ARG 13 -8.164 8.144 2.730
97 HH11 ARG 13 1HH2 ARG 13 -10.711 5.994 1.785
98 HH12 ARG 13 2HH2 ARG 13 -11.071 6.845 0.325
99 HH21 ARG 13 1HH1 ARG 13 -8.634 9.262 0.811
100 HH22 ARG 13 2HH1 ARG 13 -9.897 8.693 -0.228
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -1.397 3.701 -6.587
2 H2 GLY 1 HT2 GLY 1 -1.945 3.466 -8.178
3 H3 GLY 1 HT3 GLY 1 -0.734 4.614 -7.854
4 HA2 GLY 1 HA2 GLY 1 -0.027 2.379 -8.841
5 HA3 GLY 1 HA1 GLY 1 0.887 3.021 -7.476
6 H CYS 2 H CYS 2 1.012 1.840 -5.644
7 HA CYS 2 HA CYS 2 -0.611 -0.625 -5.503
8 HB2 CYS 2 HB2 CYS 2 1.153 -1.595 -4.235
9 HB3 CYS 2 HB1 CYS 2 1.860 -0.875 -5.671
10 H ABA 3 H ABA 3 -2.110 1.188 -4.710
11 HA ABA 3 HA ABA 3 -1.760 1.920 -1.918
12 HB3 ABA 3 HB1 ABA 3 -4.350 2.380 -3.306
13 HB2 ABA 3 HB2 ABA 3 -2.943 3.250 -3.916
14 HG1 ABA 3 HG ABA 3 -3.083 4.696 -2.056
15 H SER 4 H SER 4 -3.908 -0.130 -3.859
16 HA SER 4 HA SER 4 -5.499 -1.007 -1.657
17 HB2 SER 4 HB2 SER 4 -6.434 -2.601 -3.202
18 HB3 SER 4 HB1 SER 4 -6.202 -1.082 -4.063
19 HG SER 4 HG SER 4 -5.218 -3.463 -4.649
20 H ASP 5 H ASP 5 -2.399 -1.905 -2.870
21 HA ASP 5 HA ASP 5 -2.432 -4.539 -1.715
22 HB2 ASP 5 HB2 ASP 5 -0.162 -2.945 -2.854
23 HB3 ASP 5 HB1 ASP 5 -0.091 -4.646 -2.388
24 HA PRO 6 HA PRO 6 -1.121 -2.807 2.287
25 HB2 PRO 6 HB2 PRO 6 -1.378 -5.074 3.758
26 HB3 PRO 6 HB1 PRO 6 -2.785 -4.145 3.203
27 HG2 PRO 6 HG2 PRO 6 -1.627 -6.660 2.118
28 HG3 PRO 6 HG1 PRO 6 -3.323 -6.175 2.289
29 HD2 PRO 6 HD2 PRO 6 -1.890 -6.042 -0.079
30 HD3 PRO 6 HD1 PRO 6 -3.348 -5.087 0.287
31 H ARG 7 H ARG 7 0.279 -5.541 0.635
32 HA ARG 7 HA ARG 7 2.556 -5.802 2.379
33 HB2 ARG 7 HB2 ARG 7 2.075 -6.870 -0.417
34 HB3 ARG 7 HB1 ARG 7 3.391 -7.354 0.650
35 HG2 ARG 7 HG2 ARG 7 0.551 -7.551 1.618
36 HG3 ARG 7 HG1 ARG 7 1.201 -8.811 0.571
37 HD2 ARG 7 HD2 ARG 7 3.096 -9.109 2.167
38 HD3 ARG 7 HD1 ARG 7 2.365 -7.916 3.230
39 HE ARG 7 HE ARG 7 0.446 -9.898 2.700
40 HH11 ARG 7 1HH2 ARG 7 3.510 -9.466 4.248
41 HH12 ARG 7 2HH2 ARG 7 3.242 -10.705 5.430
42 HH21 ARG 7 1HH1 ARG 7 0.088 -11.524 4.246
43 HH22 ARG 7 2HH1 ARG 7 1.305 -11.869 5.428
44 H CYS 8 H CYS 8 1.749 -3.917 -0.422
45 HA CYS 8 HA CYS 8 4.357 -3.311 -1.330
46 HB2 CYS 8 HB2 CYS 8 2.301 -2.873 -2.647
47 HB3 CYS 8 HB1 CYS 8 1.863 -1.600 -1.510
48 H ARG 9 H ARG 9 5.602 -1.401 -0.989
49 HA ARG 9 HA ARG 9 5.975 -0.671 1.668
50 HB2 ARG 9 HB2 ARG 9 7.677 -0.376 -0.101
51 HB3 ARG 9 HB1 ARG 9 6.704 0.913 -0.809
52 HG2 ARG 9 HG2 ARG 9 6.907 2.242 1.219
53 HG3 ARG 9 HG1 ARG 9 7.769 0.930 2.023
54 HD2 ARG 9 HD2 ARG 9 9.363 2.605 1.212
55 HD3 ARG 9 HD1 ARG 9 9.571 1.094 0.332
56 HE ARG 9 HE ARG 9 8.807 2.162 -1.599
57 HH11 ARG 9 1HH2 ARG 9 8.259 4.077 1.230
58 HH12 ARG 9 2HH2 ARG 9 7.810 5.499 0.349
59 HH21 ARG 9 1HH1 ARG 9 8.219 4.022 -2.762
60 HH22 ARG 9 2HH1 ARG 9 7.788 5.468 -1.911
61 H TYR 10 H TYR 10 4.198 1.002 -0.924
62 HA TYR 10 HA TYR 10 3.208 2.955 1.039
63 HB2 TYR 10 HB2 TYR 10 4.103 3.865 -1.060
64 HB3 TYR 10 HB1 TYR 10 2.954 2.894 -1.979
65 HD1 TYR 10 HD2 TYR 10 3.230 5.613 0.550
66 HD2 TYR 10 HD1 TYR 10 0.698 3.599 -2.276
67 HE1 TYR 10 HE2 TYR 10 1.513 7.383 0.826
68 HE2 TYR 10 HE1 TYR 10 -1.017 5.368 -2.000
69 HH TYR 10 HH TYR 10 -0.547 8.038 0.313
70 H ARG 11 H ARG 11 1.237 2.759 1.884
71 HA ARG 11 HA ARG 11 -0.783 1.154 0.440
72 HB2 ARG 11 HB2 ARG 11 -1.512 0.192 2.569
73 HB3 ARG 11 HB1 ARG 11 0.186 -0.185 2.280
74 HG2 ARG 11 HG2 ARG 11 0.817 1.770 3.706
75 HG3 ARG 11 HG1 ARG 11 -0.891 2.014 4.072
76 HD2 ARG 11 HD2 ARG 11 -1.012 -0.267 5.014
77 HD3 ARG 11 HD1 ARG 11 0.700 -0.497 4.666
78 HE ARG 11 HE ARG 11 0.377 1.837 6.233
79 HH11 ARG 11 1HH2 ARG 11 0.105 -1.610 6.385
80 HH12 ARG 11 2HH2 ARG 11 0.472 -1.702 8.075
81 HH21 ARG 11 1HH1 ARG 11 0.860 1.723 8.450
82 HH22 ARG 11 2HH1 ARG 11 0.900 0.184 9.244
83 H ABA 12 H ABA 12 -2.992 1.663 0.994
84 HA ABA 12 HA ABA 12 -3.383 4.255 2.321
85 HB3 ABA 12 HB1 ABA 12 -3.425 5.069 0.162
86 HB2 ABA 12 HB2 ABA 12 -5.121 4.633 0.377
87 HG1 ABA 12 HG ABA 12 -4.368 2.299 -0.663
88 H ARG 13 H ARG 13 -5.971 4.651 2.186
89 HA ARG 13 HA ARG 13 -7.921 4.032 3.256
90 HB2 ARG 13 HB2 ARG 13 -7.647 1.373 1.877
91 HB3 ARG 13 HB1 ARG 13 -9.100 2.330 2.161
92 HG2 ARG 13 HG2 ARG 13 -6.851 3.050 0.252
93 HG3 ARG 13 HG1 ARG 13 -8.442 2.453 -0.211
94 HD2 ARG 13 HD2 ARG 13 -7.821 5.065 1.191
95 HD3 ARG 13 HD1 ARG 13 -8.448 4.863 -0.439
96 HE ARG 13 HE ARG 13 -9.961 4.667 2.029
97 HH11 ARG 13 1HH2 ARG 13 -9.734 3.879 -1.333
98 HH12 ARG 13 2HH2 ARG 13 -11.441 3.670 -1.540
99 HH21 ARG 13 1HH1 ARG 13 -12.199 4.393 1.766
100 HH22 ARG 13 2HH1 ARG 13 -12.836 3.960 0.214
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -0.955 3.769 -1.650
2 H2 GLY 1 HT2 GLY 1 0.106 5.096 -1.678
3 H3 GLY 1 HT3 GLY 1 0.699 3.536 -1.360
4 HA2 GLY 1 HA2 GLY 1 -0.134 4.731 -3.909
5 HA3 GLY 1 HA1 GLY 1 1.283 3.744 -3.546
6 H CYS 2 H CYS 2 1.101 1.503 -3.474
7 HA CYS 2 HA CYS 2 -0.970 0.387 -5.115
8 HB2 CYS 2 HB2 CYS 2 0.375 -1.746 -3.989
9 HB3 CYS 2 HB1 CYS 2 0.775 -0.956 -5.500
10 H ABA 3 H ABA 3 -2.252 1.528 -3.090
11 HA ABA 3 HA ABA 3 -2.816 0.226 -0.741
12 HB3 ABA 3 HB1 ABA 3 -4.925 1.298 -0.730
13 HB2 ABA 3 HB2 ABA 3 -5.023 1.303 -2.489
14 HG1 ABA 3 HG ABA 3 -3.161 3.015 -2.554
15 H SER 4 H SER 4 -3.577 -0.796 -3.974
16 HA SER 4 HA SER 4 -5.633 -2.645 -3.410
17 HB2 SER 4 HB2 SER 4 -5.074 -3.629 -5.575
18 HB3 SER 4 HB1 SER 4 -5.063 -1.871 -5.684
19 HG SER 4 HG SER 4 -3.193 -3.224 -6.544
20 H ASP 5 H ASP 5 -2.155 -2.837 -3.069
21 HA ASP 5 HA ASP 5 -2.401 -5.672 -2.315
22 HB2 ASP 5 HB2 ASP 5 0.054 -4.165 -3.178
23 HB3 ASP 5 HB1 ASP 5 -0.025 -5.874 -2.726
24 HA PRO 6 HA PRO 6 -1.805 -4.151 1.937
25 HB2 PRO 6 HB2 PRO 6 -1.041 -6.990 2.397
26 HB3 PRO 6 HB1 PRO 6 -2.235 -5.989 3.244
27 HG2 PRO 6 HG2 PRO 6 -2.949 -7.902 1.522
28 HG3 PRO 6 HG1 PRO 6 -3.872 -6.402 1.710
29 HD2 PRO 6 HD2 PRO 6 -2.074 -7.235 -0.529
30 HD3 PRO 6 HD1 PRO 6 -3.506 -6.179 -0.526
31 H ARG 7 H ARG 7 0.477 -6.061 0.080
32 HA ARG 7 HA ARG 7 2.698 -5.633 1.881
33 HB2 ARG 7 HB2 ARG 7 2.520 -6.768 -0.915
34 HB3 ARG 7 HB1 ARG 7 4.021 -6.658 0.006
35 HG2 ARG 7 HG2 ARG 7 3.023 -8.023 1.805
36 HG3 ARG 7 HG1 ARG 7 1.522 -8.136 0.884
37 HD2 ARG 7 HD2 ARG 7 2.727 -9.258 -0.950
38 HD3 ARG 7 HD1 ARG 7 4.230 -9.138 -0.041
39 HE ARG 7 HE ARG 7 2.318 -10.452 1.560
40 HH11 ARG 7 1HH2 ARG 7 4.153 -10.867 -1.344
41 HH12 ARG 7 2HH2 ARG 7 4.222 -12.593 -1.218
42 HH21 ARG 7 1HH1 ARG 7 2.406 -12.715 1.733
43 HH22 ARG 7 2HH1 ARG 7 3.233 -13.640 0.525
44 H CYS 8 H CYS 8 1.111 -3.573 -0.108
45 HA CYS 8 HA CYS 8 3.019 -2.304 -1.679
46 HB2 CYS 8 HB2 CYS 8 0.604 -1.779 -1.680
47 HB3 CYS 8 HB1 CYS 8 0.779 -1.006 -0.108
48 H ARG 9 H ARG 9 4.766 -1.054 -1.253
49 HA ARG 9 HA ARG 9 5.839 -0.892 1.313
50 HB2 ARG 9 HB2 ARG 9 7.279 -0.766 -0.604
51 HB3 ARG 9 HB1 ARG 9 6.439 0.658 -1.210
52 HG2 ARG 9 HG2 ARG 9 8.588 1.241 -0.135
53 HG3 ARG 9 HG1 ARG 9 7.225 1.963 0.703
54 HD2 ARG 9 HD2 ARG 9 7.327 0.349 2.462
55 HD3 ARG 9 HD1 ARG 9 8.432 -0.677 1.552
56 HE ARG 9 HE ARG 9 9.681 1.805 1.909
57 HH11 ARG 9 1HH2 ARG 9 8.443 -0.834 3.775
58 HH12 ARG 9 2HH2 ARG 9 9.579 -0.637 5.066
59 HH21 ARG 9 1HH1 ARG 9 11.178 2.068 3.601
60 HH22 ARG 9 2HH1 ARG 9 11.129 1.006 4.968
61 H TYR 10 H TYR 10 4.134 1.565 -0.623
62 HA TYR 10 HA TYR 10 3.975 3.268 1.787
63 HB2 TYR 10 HB2 TYR 10 5.031 4.322 -0.166
64 HB3 TYR 10 HB1 TYR 10 3.591 3.987 -1.128
65 HD1 TYR 10 HD2 TYR 10 4.715 5.708 1.997
66 HD2 TYR 10 HD1 TYR 10 1.796 5.510 -1.148
67 HE1 TYR 10 HE2 TYR 10 3.674 7.798 2.832
68 HE2 TYR 10 HE1 TYR 10 0.754 7.600 -0.313
69 HH TYR 10 HH TYR 10 0.702 8.778 2.129
70 H ARG 11 H ARG 11 2.102 3.295 2.824
71 HA ARG 11 HA ARG 11 -0.267 2.110 1.690
72 HB2 ARG 11 HB2 ARG 11 0.177 3.576 4.302
73 HB3 ARG 11 HB1 ARG 11 -1.296 2.709 3.865
74 HG2 ARG 11 HG2 ARG 11 -0.108 0.610 3.737
75 HG3 ARG 11 HG1 ARG 11 1.446 1.422 3.929
76 HD2 ARG 11 HD2 ARG 11 -0.761 1.451 6.004
77 HD3 ARG 11 HD1 ARG 11 0.624 0.364 6.042
78 HE ARG 11 HE ARG 11 1.631 2.960 5.823
79 HH11 ARG 11 1HH2 ARG 11 -0.265 1.051 8.000
80 HH12 ARG 11 2HH2 ARG 11 0.264 1.893 9.418
81 HH21 ARG 11 1HH1 ARG 11 2.329 4.069 7.678
82 HH22 ARG 11 2HH1 ARG 11 1.733 3.602 9.236
83 H ABA 12 H ABA 12 -2.219 3.142 1.209
84 HA ABA 12 HA ABA 12 -1.967 6.029 0.640
85 HB3 ABA 12 HB1 ABA 12 -2.368 4.832 -1.381
86 HB2 ABA 12 HB2 ABA 12 -3.899 5.584 -0.938
87 HG1 ABA 12 HG ABA 12 -4.328 3.212 0.268
88 H ARG 13 H ARG 13 -4.201 7.144 0.618
89 HA ARG 13 HA ARG 13 -5.390 6.678 3.246
90 HB2 ARG 13 HB2 ARG 13 -4.701 8.969 2.543
91 HB3 ARG 13 HB1 ARG 13 -5.918 8.907 1.268
92 HG2 ARG 13 HG2 ARG 13 -7.686 8.598 2.945
93 HG3 ARG 13 HG1 ARG 13 -6.482 8.619 4.235
94 HD2 ARG 13 HD2 ARG 13 -7.022 10.890 2.303
95 HD3 ARG 13 HD1 ARG 13 -7.572 10.824 3.969
96 HE ARG 13 HE ARG 13 -5.308 11.063 4.699
97 HH11 ARG 13 1HH2 ARG 13 -5.725 11.212 1.264
98 HH12 ARG 13 2HH2 ARG 13 -4.192 11.960 0.980
99 HH21 ARG 13 1HH1 ARG 13 -3.300 12.041 4.326
100 HH22 ARG 13 2HH1 ARG 13 -2.819 12.428 2.708
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 0.047 3.255 -5.942
2 H2 GLY 1 HT2 GLY 1 -1.014 4.217 -6.858
3 H3 GLY 1 HT3 GLY 1 0.616 4.072 -7.316
4 HA2 GLY 1 HA2 GLY 1 -1.444 2.600 -8.301
5 HA3 GLY 1 HA1 GLY 1 0.268 2.194 -8.434
6 H CYS 2 H CYS 2 0.704 1.773 -5.625
7 HA CYS 2 HA CYS 2 -0.740 -0.786 -5.282
8 HB2 CYS 2 HB2 CYS 2 1.143 -1.628 -4.171
9 HB3 CYS 2 HB1 CYS 2 1.765 -0.796 -5.589
10 H ABA 3 H ABA 3 -2.072 1.351 -4.528
11 HA ABA 3 HA ABA 3 -1.673 1.962 -1.717
12 HB3 ABA 3 HB1 ABA 3 -3.933 2.725 -3.578
13 HB2 ABA 3 HB2 ABA 3 -2.474 3.678 -3.315
14 HG1 ABA 3 HG ABA 3 -4.767 3.305 -1.390
15 H SER 4 H SER 4 -3.408 -0.316 -3.611
16 HA SER 4 HA SER 4 -5.195 -0.977 -1.368
17 HB2 SER 4 HB2 SER 4 -5.209 -1.897 -4.250
18 HB3 SER 4 HB1 SER 4 -6.364 -2.407 -3.022
19 HG SER 4 HG SER 4 -6.337 -0.173 -4.502
20 H ASP 5 H ASP 5 -2.159 -1.751 -2.310
21 HA ASP 5 HA ASP 5 -2.452 -4.616 -1.784
22 HB2 ASP 5 HB2 ASP 5 -0.063 -3.077 -2.782
23 HB3 ASP 5 HB1 ASP 5 -0.150 -4.829 -2.563
24 HA PRO 6 HA PRO 6 -0.984 -3.525 2.372
25 HB2 PRO 6 HB2 PRO 6 -1.149 -6.005 3.485
26 HB3 PRO 6 HB1 PRO 6 -2.563 -4.967 3.214
27 HG2 PRO 6 HG2 PRO 6 -1.593 -7.294 1.638
28 HG3 PRO 6 HG1 PRO 6 -3.248 -6.801 2.032
29 HD2 PRO 6 HD2 PRO 6 -2.038 -6.333 -0.399
30 HD3 PRO 6 HD1 PRO 6 -3.377 -5.354 0.248
31 H ARG 7 H ARG 7 0.411 -5.817 0.206
32 HA ARG 7 HA ARG 7 2.769 -6.287 1.844
33 HB2 ARG 7 HB2 ARG 7 2.164 -7.084 -1.019
34 HB3 ARG 7 HB1 ARG 7 3.512 -7.667 -0.048
35 HG2 ARG 7 HG2 ARG 7 0.636 -8.016 0.817
36 HG3 ARG 7 HG1 ARG 7 1.464 -9.205 -0.184
37 HD2 ARG 7 HD2 ARG 7 3.231 -9.378 1.593
38 HD3 ARG 7 HD1 ARG 7 2.266 -8.312 2.605
39 HE ARG 7 HE ARG 7 1.689 -11.089 1.984
40 HH11 ARG 7 1HH2 ARG 7 0.566 -8.029 3.146
41 HH12 ARG 7 2HH2 ARG 7 -0.742 -8.702 4.063
42 HH21 ARG 7 1HH1 ARG 7 -0.021 -11.978 3.185
43 HH22 ARG 7 2HH1 ARG 7 -1.075 -10.937 4.084
44 H CYS 8 H CYS 8 1.695 -3.840 -0.185
45 HA CYS 8 HA CYS 8 4.347 -3.172 -1.221
46 HB2 CYS 8 HB2 CYS 8 2.335 -2.882 -2.639
47 HB3 CYS 8 HB1 CYS 8 1.732 -1.676 -1.502
48 H ARG 9 H ARG 9 5.520 -1.350 -0.619
49 HA ARG 9 HA ARG 9 5.449 -0.593 2.075
50 HB2 ARG 9 HB2 ARG 9 7.456 -0.406 0.665
51 HB3 ARG 9 HB1 ARG 9 6.678 0.870 -0.273
52 HG2 ARG 9 HG2 ARG 9 6.568 2.314 1.657
53 HG3 ARG 9 HG1 ARG 9 7.134 1.021 2.714
54 HD2 ARG 9 HD2 ARG 9 8.987 2.534 2.197
55 HD3 ARG 9 HD1 ARG 9 9.275 0.961 1.459
56 HE ARG 9 HE ARG 9 7.934 2.715 -0.355
57 HH11 ARG 9 1HH2 ARG 9 10.980 1.999 1.122
58 HH12 ARG 9 2HH2 ARG 9 11.921 2.638 -0.185
59 HH21 ARG 9 1HH1 ARG 9 9.160 3.556 -2.072
60 HH22 ARG 9 2HH1 ARG 9 10.890 3.520 -1.993
61 H TYR 10 H TYR 10 4.234 1.082 -0.824
62 HA TYR 10 HA TYR 10 3.144 3.246 0.797
63 HB2 TYR 10 HB2 TYR 10 4.150 3.544 -1.530
64 HB3 TYR 10 HB1 TYR 10 2.695 2.762 -2.150
65 HD1 TYR 10 HD1 TYR 10 3.964 5.672 -0.233
66 HD2 TYR 10 HD2 TYR 10 0.590 3.924 -2.235
67 HE1 TYR 10 HE1 TYR 10 2.750 7.828 -0.070
68 HE2 TYR 10 HE2 TYR 10 -0.623 6.081 -2.074
69 HH TYR 10 HH TYR 10 0.760 8.839 -0.322
70 H ARG 11 H ARG 11 1.289 2.939 1.849
71 HA ARG 11 HA ARG 11 -0.871 1.433 0.504
72 HB2 ARG 11 HB2 ARG 11 0.138 0.046 2.283
73 HB3 ARG 11 HB1 ARG 11 -0.178 1.326 3.452
74 HG2 ARG 11 HG2 ARG 11 -2.599 1.142 3.014
75 HG3 ARG 11 HG1 ARG 11 -2.290 -0.117 1.818
76 HD2 ARG 11 HD2 ARG 11 -1.275 -1.527 3.578
77 HD3 ARG 11 HD1 ARG 11 -1.605 -0.269 4.766
78 HE ARG 11 HE ARG 11 -3.543 -2.087 3.584
79 HH11 ARG 11 1HH2 ARG 11 -2.929 0.862 5.285
80 HH12 ARG 11 2HH2 ARG 11 -4.514 0.956 5.974
81 HH21 ARG 11 1HH1 ARG 11 -5.624 -1.971 4.483
82 HH22 ARG 11 2HH1 ARG 11 -6.041 -0.648 5.520
83 H ABA 12 H ABA 12 -2.824 2.383 0.517
84 HA ABA 12 HA ABA 12 -3.231 4.725 2.270
85 HB3 ABA 12 HB1 ABA 12 -3.183 6.015 0.439
86 HB2 ABA 12 HB2 ABA 12 -4.728 5.280 0.019
87 HG1 ABA 12 HG ABA 12 -2.062 4.717 -1.225
88 H ARG 13 H ARG 13 -5.731 5.385 1.895
89 HA ARG 13 HA ARG 13 -7.281 3.572 3.262
90 HB2 ARG 13 HB2 ARG 13 -8.108 5.669 1.248
91 HB3 ARG 13 HB1 ARG 13 -9.256 4.783 2.252
92 HG2 ARG 13 HG2 ARG 13 -8.124 5.593 4.283
93 HG3 ARG 13 HG1 ARG 13 -6.956 6.466 3.289
94 HD2 ARG 13 HD2 ARG 13 -8.780 7.812 2.320
95 HD3 ARG 13 HD1 ARG 13 -9.949 6.941 3.307
96 HE ARG 13 HE ARG 13 -7.990 8.022 5.014
97 HH11 ARG 13 1HH2 ARG 13 -10.510 9.003 2.855
98 HH12 ARG 13 2HH2 ARG 13 -10.861 10.467 3.710
99 HH21 ARG 13 1HH1 ARG 13 -8.446 9.940 6.142
100 HH22 ARG 13 2HH1 ARG 13 -9.693 10.998 5.571
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 1.533 5.183 -3.748
2 H2 GLY 1 HT2 GLY 1 0.041 4.427 -4.040
3 H3 GLY 1 HT3 GLY 1 0.763 5.382 -5.246
4 HA2 GLY 1 HA2 GLY 1 2.172 3.776 -5.904
5 HA3 GLY 1 HA1 GLY 1 2.368 3.172 -4.259
6 H CYS 2 H CYS 2 1.563 1.203 -3.964
7 HA CYS 2 HA CYS 2 -0.734 0.342 -5.608
8 HB2 CYS 2 HB2 CYS 2 0.287 -1.972 -4.604
9 HB3 CYS 2 HB1 CYS 2 0.715 -1.286 -6.163
10 H ABA 3 H ABA 3 -2.002 1.537 -3.950
11 HA ABA 3 HA ABA 3 -2.188 0.640 -1.265
12 HB3 ABA 3 HB1 ABA 3 -4.605 1.654 -1.569
13 HB2 ABA 3 HB2 ABA 3 -3.934 2.251 -3.087
14 HG1 ABA 3 HG ABA 3 -1.973 3.193 -1.563
15 H SER 4 H SER 4 -3.154 -0.765 -4.204
16 HA SER 4 HA SER 4 -5.459 -2.190 -3.366
17 HB2 SER 4 HB2 SER 4 -5.070 -3.576 -5.342
18 HB3 SER 4 HB1 SER 4 -4.834 -1.876 -5.738
19 HG SER 4 HG SER 4 -3.030 -2.741 -6.507
20 H ASP 5 H ASP 5 -2.004 -2.825 -3.089
21 HA ASP 5 HA ASP 5 -2.605 -5.430 -1.862
22 HB2 ASP 5 HB2 ASP 5 0.020 -4.408 -2.913
23 HB3 ASP 5 HB1 ASP 5 -0.299 -6.013 -2.241
24 HA PRO 6 HA PRO 6 -1.763 -3.342 2.114
25 HB2 PRO 6 HB2 PRO 6 -1.339 -6.156 3.004
26 HB3 PRO 6 HB1 PRO 6 -2.378 -4.895 3.693
27 HG2 PRO 6 HG2 PRO 6 -3.370 -6.941 2.299
28 HG3 PRO 6 HG1 PRO 6 -4.093 -5.326 2.254
29 HD2 PRO 6 HD2 PRO 6 -2.475 -6.714 0.163
30 HD3 PRO 6 HD1 PRO 6 -3.757 -5.487 0.011
31 H ARG 7 H ARG 7 0.225 -5.838 0.630
32 HA ARG 7 HA ARG 7 2.511 -5.418 2.332
33 HB2 ARG 7 HB2 ARG 7 2.174 -6.873 -0.300
34 HB3 ARG 7 HB1 ARG 7 3.671 -6.852 0.632
35 HG2 ARG 7 HG2 ARG 7 2.503 -7.843 2.560
36 HG3 ARG 7 HG1 ARG 7 0.994 -7.850 1.646
37 HD2 ARG 7 HD2 ARG 7 2.012 -9.341 -0.032
38 HD3 ARG 7 HD1 ARG 7 3.521 -9.335 0.875
39 HE ARG 7 HE ARG 7 1.456 -10.158 2.602
40 HH11 ARG 7 1HH2 ARG 7 3.153 -11.175 -0.237
41 HH12 ARG 7 2HH2 ARG 7 2.959 -12.865 0.085
42 HH21 ARG 7 1HH1 ARG 7 1.198 -12.373 3.032
43 HH22 ARG 7 2HH1 ARG 7 1.852 -13.544 1.936
44 H CYS 8 H CYS 8 1.174 -3.703 -0.247
45 HA CYS 8 HA CYS 8 3.423 -2.822 -1.671
46 HB2 CYS 8 HB2 CYS 8 1.154 -2.397 -2.444
47 HB3 CYS 8 HB1 CYS 8 0.842 -1.369 -1.046
48 H ARG 9 H ARG 9 5.010 -1.400 -1.239
49 HA ARG 9 HA ARG 9 5.604 -0.592 1.369
50 HB2 ARG 9 HB2 ARG 9 7.377 0.730 0.400
51 HB3 ARG 9 HB1 ARG 9 7.234 -0.764 -0.526
52 HG2 ARG 9 HG2 ARG 9 5.749 0.491 -2.147
53 HG3 ARG 9 HG1 ARG 9 6.179 1.972 -1.290
54 HD2 ARG 9 HD2 ARG 9 8.156 0.074 -2.582
55 HD3 ARG 9 HD1 ARG 9 7.622 1.605 -3.269
56 HE ARG 9 HE ARG 9 9.454 1.250 -1.029
57 HH11 ARG 9 1HH2 ARG 9 7.383 3.337 -2.856
58 HH12 ARG 9 2HH2 ARG 9 8.160 4.792 -2.333
59 HH21 ARG 9 1HH1 ARG 9 10.478 3.156 -0.341
60 HH22 ARG 9 2HH1 ARG 9 9.912 4.691 -0.909
61 H TYR 10 H TYR 10 3.580 0.892 -1.029
62 HA TYR 10 HA TYR 10 3.549 3.461 0.364
63 HB2 TYR 10 HB2 TYR 10 3.505 3.398 -2.110
64 HB3 TYR 10 HB1 TYR 10 1.976 2.520 -2.040
65 HD1 TYR 10 HD1 TYR 10 3.541 5.608 -0.588
66 HD2 TYR 10 HD2 TYR 10 0.011 3.771 -2.205
67 HE1 TYR 10 HE1 TYR 10 2.324 7.759 -0.377
68 HE2 TYR 10 HE2 TYR 10 -1.204 5.922 -1.995
69 HH TYR 10 HH TYR 10 0.449 8.886 -1.085
70 H ARG 11 H ARG 11 2.257 3.773 2.048
71 HA ARG 11 HA ARG 11 -0.036 2.003 2.473
72 HB2 ARG 11 HB2 ARG 11 1.532 2.384 4.339
73 HB3 ARG 11 HB1 ARG 11 1.170 4.110 4.281
74 HG2 ARG 11 HG2 ARG 11 -1.150 3.707 4.843
75 HG3 ARG 11 HG1 ARG 11 -0.923 1.962 4.717
76 HD2 ARG 11 HD2 ARG 11 0.542 3.730 6.695
77 HD3 ARG 11 HD1 ARG 11 -0.905 2.802 7.081
78 HE ARG 11 HE ARG 11 0.982 1.044 5.960
79 HH11 ARG 11 1HH2 ARG 11 0.510 3.048 8.742
80 HH12 ARG 11 2HH2 ARG 11 1.459 2.050 9.792
81 HH21 ARG 11 1HH1 ARG 11 2.229 -0.268 7.331
82 HH22 ARG 11 2HH1 ARG 11 2.433 0.173 8.994
83 H ABA 12 H ABA 12 -2.089 2.611 2.177
84 HA ABA 12 HA ABA 12 -2.878 5.399 2.310
85 HB3 ABA 12 HB1 ABA 12 -1.973 4.850 -0.074
86 HB2 ABA 12 HB2 ABA 12 -3.501 5.716 0.085
87 HG1 ABA 12 HG ABA 12 -4.713 3.489 -0.237
88 H ARG 13 H ARG 13 -5.330 5.359 1.257
89 HA ARG 13 HA ARG 13 -6.824 2.985 1.829
90 HB2 ARG 13 HB2 ARG 13 -8.016 3.773 3.801
91 HB3 ARG 13 HB1 ARG 13 -6.287 3.722 4.139
92 HG2 ARG 13 HG2 ARG 13 -6.174 6.170 3.553
93 HG3 ARG 13 HG1 ARG 13 -7.935 6.170 3.449
94 HD2 ARG 13 HD2 ARG 13 -8.087 5.419 5.786
95 HD3 ARG 13 HD1 ARG 13 -6.329 5.388 5.896
96 HE ARG 13 HE ARG 13 -6.336 7.721 6.044
97 HH11 ARG 13 1HH2 ARG 13 -9.436 6.474 5.145
98 HH12 ARG 13 2HH2 ARG 13 -10.259 7.983 5.358
99 HH21 ARG 13 1HH1 ARG 13 -7.408 9.703 6.326
100 HH22 ARG 13 2HH1 ARG 13 -9.111 9.811 6.027
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 -3.074 4.399 -5.708
2 H2 GLY 1 HT2 GLY 1 -2.098 5.558 -6.477
3 H3 GLY 1 HT3 GLY 1 -2.643 5.822 -4.891
4 HA2 GLY 1 HA2 GLY 1 -0.241 4.744 -5.610
5 HA3 GLY 1 HA1 GLY 1 -0.965 4.697 -4.002
6 H CYS 2 H CYS 2 -0.041 2.635 -3.593
7 HA CYS 2 HA CYS 2 -1.125 0.406 -5.196
8 HB2 CYS 2 HB2 CYS 2 0.632 -0.902 -3.900
9 HB3 CYS 2 HB1 CYS 2 1.211 0.225 -5.122
10 H ABA 3 H ABA 3 -2.918 1.522 -3.601
11 HA ABA 3 HA ABA 3 -3.061 0.435 -0.967
12 HB3 ABA 3 HB1 ABA 3 -5.318 1.269 -0.920
13 HB2 ABA 3 HB2 ABA 3 -5.367 1.385 -2.679
14 HG1 ABA 3 HG ABA 3 -3.801 3.289 -2.631
15 H SER 4 H SER 4 -3.776 -0.772 -4.112
16 HA SER 4 HA SER 4 -5.690 -2.742 -3.442
17 HB2 SER 4 HB2 SER 4 -5.077 -3.777 -5.571
18 HB3 SER 4 HB1 SER 4 -5.221 -2.031 -5.760
19 HG SER 4 HG SER 4 -3.133 -1.898 -6.099
20 H ASP 5 H ASP 5 -2.232 -2.579 -3.015
21 HA ASP 5 HA ASP 5 -2.256 -5.396 -2.142
22 HB2 ASP 5 HB2 ASP 5 0.066 -3.796 -3.198
23 HB3 ASP 5 HB1 ASP 5 0.138 -5.464 -2.615
24 HA PRO 6 HA PRO 6 -1.446 -3.362 1.827
25 HB2 PRO 6 HB2 PRO 6 -1.467 -5.591 3.394
26 HB3 PRO 6 HB1 PRO 6 -2.945 -4.824 2.782
27 HG2 PRO 6 HG2 PRO 6 -1.529 -7.249 1.810
28 HG3 PRO 6 HG1 PRO 6 -3.266 -6.921 1.928
29 HD2 PRO 6 HD2 PRO 6 -1.829 -6.758 -0.415
30 HD3 PRO 6 HD1 PRO 6 -3.338 -5.863 -0.114
31 H ARG 7 H ARG 7 0.442 -5.785 0.280
32 HA ARG 7 HA ARG 7 2.610 -5.756 2.195
33 HB2 ARG 7 HB2 ARG 7 2.376 -6.904 -0.594
34 HB3 ARG 7 HB1 ARG 7 3.790 -7.096 0.443
35 HG2 ARG 7 HG2 ARG 7 2.471 -8.243 2.127
36 HG3 ARG 7 HG1 ARG 7 0.986 -7.934 1.228
37 HD2 ARG 7 HD2 ARG 7 1.717 -10.218 0.798
38 HD3 ARG 7 HD1 ARG 7 1.900 -9.264 -0.670
39 HE ARG 7 HE ARG 7 4.318 -9.207 0.811
40 HH11 ARG 7 1HH2 ARG 7 2.307 -11.283 -1.092
41 HH12 ARG 7 2HH2 ARG 7 3.617 -12.270 -1.649
42 HH21 ARG 7 1HH1 ARG 7 6.041 -10.497 0.085
43 HH22 ARG 7 2HH1 ARG 7 5.731 -11.825 -0.982
44 H CYS 8 H CYS 8 1.565 -3.709 -0.294
45 HA CYS 8 HA CYS 8 4.007 -2.845 -1.402
46 HB2 CYS 8 HB2 CYS 8 1.815 -2.279 -2.368
47 HB3 CYS 8 HB1 CYS 8 1.459 -1.267 -0.969
48 H ARG 9 H ARG 9 5.561 -1.497 -0.702
49 HA ARG 9 HA ARG 9 5.853 -0.885 2.017
50 HB2 ARG 9 HB2 ARG 9 7.766 0.453 1.340
51 HB3 ARG 9 HB1 ARG 9 7.722 -1.026 0.382
52 HG2 ARG 9 HG2 ARG 9 6.519 0.264 -1.418
53 HG3 ARG 9 HG1 ARG 9 6.801 1.730 -0.480
54 HD2 ARG 9 HD2 ARG 9 9.234 1.321 -0.575
55 HD3 ARG 9 HD1 ARG 9 8.950 -0.133 -1.530
56 HE ARG 9 HE ARG 9 8.804 2.609 -2.466
57 HH11 ARG 9 1HH2 ARG 9 7.855 -0.688 -2.918
58 HH12 ARG 9 2HH2 ARG 9 7.564 -0.518 -4.617
59 HH21 ARG 9 1HH1 ARG 9 8.425 2.840 -4.695
60 HH22 ARG 9 2HH1 ARG 9 7.887 1.481 -5.623
61 H TYR 10 H TYR 10 4.128 0.753 -0.474
62 HA TYR 10 HA TYR 10 3.815 3.137 1.250
63 HB2 TYR 10 HB2 TYR 10 4.714 3.708 -0.926
64 HB3 TYR 10 HB1 TYR 10 3.431 2.806 -1.733
65 HD1 TYR 10 HD1 TYR 10 4.029 5.668 0.597
66 HD2 TYR 10 HD2 TYR 10 1.366 3.829 -2.229
67 HE1 TYR 10 HE1 TYR 10 2.569 7.671 0.670
68 HE2 TYR 10 HE2 TYR 10 -0.094 5.833 -2.155
69 HH TYR 10 HH TYR 10 0.790 8.680 -0.206
70 H ARG 11 H ARG 11 1.912 3.433 2.204
71 HA ARG 11 HA ARG 11 -0.414 1.890 1.222
72 HB2 ARG 11 HB2 ARG 11 0.196 2.907 4.008
73 HB3 ARG 11 HB1 ARG 11 -1.272 2.050 3.535
74 HG2 ARG 11 HG2 ARG 11 0.043 0.088 2.889
75 HG3 ARG 11 HG1 ARG 11 1.539 0.943 3.268
76 HD2 ARG 11 HD2 ARG 11 0.987 -0.477 5.150
77 HD3 ARG 11 HD1 ARG 11 0.724 1.197 5.627
78 HE ARG 11 HE ARG 11 -1.688 0.117 4.602
79 HH11 ARG 11 1HH2 ARG 11 0.479 -0.079 7.293
80 HH12 ARG 11 2HH2 ARG 11 -0.750 -0.538 8.426
81 HH21 ARG 11 1HH1 ARG 11 -3.303 -0.485 6.081
82 HH22 ARG 11 2HH1 ARG 11 -2.890 -0.767 7.739
83 H ABA 12 H ABA 12 -2.323 2.922 0.847
84 HA ABA 12 HA ABA 12 -2.214 5.851 0.782
85 HB3 ABA 12 HB1 ABA 12 -2.869 4.949 -1.306
86 HB2 ABA 12 HB2 ABA 12 -4.364 5.528 -0.569
87 HG1 ABA 12 HG ABA 12 -4.476 2.974 0.335
88 H ARG 13 H ARG 13 -4.749 6.643 0.939
89 HA ARG 13 HA ARG 13 -5.817 5.588 3.480
90 HB2 ARG 13 HB2 ARG 13 -4.511 7.604 3.991
91 HB3 ARG 13 HB1 ARG 13 -5.431 8.513 2.793
92 HG2 ARG 13 HG2 ARG 13 -7.484 8.202 4.050
93 HG3 ARG 13 HG1 ARG 13 -6.671 7.124 5.185
94 HD2 ARG 13 HD2 ARG 13 -6.883 9.367 6.152
95 HD3 ARG 13 HD1 ARG 13 -5.188 8.981 5.873
96 HE ARG 13 HE ARG 13 -6.301 10.341 3.624
97 HH11 ARG 13 1HH2 ARG 13 -5.186 10.761 6.873
98 HH12 ARG 13 2HH2 ARG 13 -4.721 12.413 6.647
99 HH21 ARG 13 1HH1 ARG 13 -5.692 12.508 3.320
100 HH22 ARG 13 2HH1 ARG 13 -5.006 13.403 4.635
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 -2.705 2.432 -8.467
2 H2 GLY 1 HT2 GLY 1 -1.349 3.456 -8.501
3 H3 GLY 1 HT3 GLY 1 -1.836 2.733 -7.042
4 HA2 GLY 1 HA2 GLY 1 -1.136 1.021 -9.325
5 HA3 GLY 1 HA1 GLY 1 0.150 1.746 -8.361
6 H CYS 2 H CYS 2 0.640 0.885 -6.402
7 HA CYS 2 HA CYS 2 -0.979 -1.423 -5.517
8 HB2 CYS 2 HB2 CYS 2 0.984 -2.229 -4.440
9 HB3 CYS 2 HB1 CYS 2 1.389 -1.823 -6.102
10 H ABA 3 H ABA 3 -2.043 0.896 -4.860
11 HA ABA 3 HA ABA 3 -1.182 1.738 -2.215
12 HB3 ABA 3 HB1 ABA 3 -3.754 2.595 -3.507
13 HB2 ABA 3 HB2 ABA 3 -2.212 3.242 -4.073
14 HG1 ABA 3 HG ABA 3 -2.007 4.554 -2.111
15 H SER 4 H SER 4 -3.795 -0.103 -3.691
16 HA SER 4 HA SER 4 -5.213 -0.467 -1.200
17 HB2 SER 4 HB2 SER 4 -6.704 -1.878 -2.484
18 HB3 SER 4 HB1 SER 4 -6.355 -0.428 -3.421
19 HG SER 4 HG SER 4 -6.142 -2.319 -4.681
20 H ASP 5 H ASP 5 -2.482 -1.848 -2.628
21 HA ASP 5 HA ASP 5 -2.885 -4.462 -1.451
22 HB2 ASP 5 HB2 ASP 5 -0.549 -3.360 -2.994
23 HB3 ASP 5 HB1 ASP 5 -0.730 -5.035 -2.462
24 HA PRO 6 HA PRO 6 -0.801 -2.940 2.288
25 HB2 PRO 6 HB2 PRO 6 -0.985 -5.245 3.748
26 HB3 PRO 6 HB1 PRO 6 -2.341 -4.121 3.528
27 HG2 PRO 6 HG2 PRO 6 -1.787 -6.714 2.190
28 HG3 PRO 6 HG1 PRO 6 -3.328 -6.002 2.694
29 HD2 PRO 6 HD2 PRO 6 -2.407 -5.999 0.104
30 HD3 PRO 6 HD1 PRO 6 -3.569 -4.816 0.752
31 H ARG 7 H ARG 7 0.191 -5.456 0.209
32 HA ARG 7 HA ARG 7 2.599 -6.161 1.628
33 HB2 ARG 7 HB2 ARG 7 1.625 -6.737 -1.174
34 HB3 ARG 7 HB1 ARG 7 3.154 -7.338 -0.531
35 HG2 ARG 7 HG2 ARG 7 1.893 -8.402 1.347
36 HG3 ARG 7 HG1 ARG 7 0.387 -7.897 0.578
37 HD2 ARG 7 HD2 ARG 7 2.486 -9.643 -0.731
38 HD3 ARG 7 HD1 ARG 7 1.025 -10.248 0.022
39 HE ARG 7 HE ARG 7 -0.263 -9.230 -1.727
40 HH11 ARG 7 1HH2 ARG 7 3.168 -8.897 -2.081
41 HH12 ARG 7 2HH2 ARG 7 3.089 -8.499 -3.759
42 HH21 ARG 7 1HH1 ARG 7 -0.365 -8.705 -3.931
43 HH22 ARG 7 2HH1 ARG 7 1.094 -8.388 -4.809
44 H CYS 8 H CYS 8 1.628 -3.557 -0.327
45 HA CYS 8 HA CYS 8 4.254 -3.028 -1.459
46 HB2 CYS 8 HB2 CYS 8 1.708 -2.337 -2.208
47 HB3 CYS 8 HB1 CYS 8 2.283 -0.844 -1.468
48 H ARG 9 H ARG 9 5.469 -1.063 -1.012
49 HA ARG 9 HA ARG 9 5.916 -0.665 1.739
50 HB2 ARG 9 HB2 ARG 9 6.726 0.974 -0.671
51 HB3 ARG 9 HB1 ARG 9 7.298 1.297 0.966
52 HG2 ARG 9 HG2 ARG 9 8.227 -0.983 1.101
53 HG3 ARG 9 HG1 ARG 9 7.649 -1.316 -0.532
54 HD2 ARG 9 HD2 ARG 9 10.011 -0.705 -0.618
55 HD3 ARG 9 HD1 ARG 9 9.047 0.556 -1.381
56 HE ARG 9 HE ARG 9 9.663 2.004 0.337
57 HH11 ARG 9 1HH2 ARG 9 10.425 -1.281 1.109
58 HH12 ARG 9 2HH2 ARG 9 11.346 -0.882 2.521
59 HH21 ARG 9 1HH1 ARG 9 10.869 2.537 2.188
60 HH22 ARG 9 2HH1 ARG 9 11.596 1.280 3.132
61 H TYR 10 H TYR 10 4.088 1.217 -0.641
62 HA TYR 10 HA TYR 10 3.287 3.115 1.451
63 HB2 TYR 10 HB2 TYR 10 4.040 3.993 -0.753
64 HB3 TYR 10 HB1 TYR 10 2.690 3.152 -1.516
65 HD1 TYR 10 HD1 TYR 10 3.438 5.597 1.219
66 HD2 TYR 10 HD2 TYR 10 0.604 4.214 -1.698
67 HE1 TYR 10 HE1 TYR 10 1.942 7.496 1.772
68 HE2 TYR 10 HE2 TYR 10 -0.890 6.115 -1.144
69 HH TYR 10 HH TYR 10 -0.879 8.229 -0.140
70 H ARG 11 H ARG 11 1.388 2.931 2.461
71 HA ARG 11 HA ARG 11 -0.642 1.103 1.323
72 HB2 ARG 11 HB2 ARG 11 -0.173 1.948 4.191
73 HB3 ARG 11 HB1 ARG 11 -1.466 0.879 3.644
74 HG2 ARG 11 HG2 ARG 11 0.137 -0.760 2.860
75 HG3 ARG 11 HG1 ARG 11 1.480 0.334 3.188
76 HD2 ARG 11 HD2 ARG 11 -0.419 -0.733 5.294
77 HD3 ARG 11 HD1 ARG 11 1.185 -1.385 4.970
78 HE ARG 11 HE ARG 11 1.509 1.346 5.429
79 HH11 ARG 11 1HH2 ARG 11 0.356 -1.467 7.081
80 HH12 ARG 11 2HH2 ARG 11 0.807 -0.899 8.653
81 HH21 ARG 11 1HH1 ARG 11 2.103 2.099 7.488
82 HH22 ARG 11 2HH1 ARG 11 1.797 1.120 8.884
83 H ABA 12 H ABA 12 -2.779 1.739 1.196
84 HA ABA 12 HA ABA 12 -3.599 4.321 2.175
85 HB3 ABA 12 HB1 ABA 12 -2.515 4.963 0.083
86 HB2 ABA 12 HB2 ABA 12 -4.260 5.191 -0.034
87 HG1 ABA 12 HG ABA 12 -4.202 2.708 -1.066
88 H ARG 13 H ARG 13 -4.166 1.257 1.106
89 HA ARG 13 HA ARG 13 -6.059 -0.074 0.929
90 HB2 ARG 13 HB2 ARG 13 -7.450 1.924 2.698
91 HB3 ARG 13 HB1 ARG 13 -7.603 0.168 2.676
92 HG2 ARG 13 HG2 ARG 13 -5.197 1.752 3.626
93 HG3 ARG 13 HG1 ARG 13 -6.301 0.818 4.635
94 HD2 ARG 13 HD2 ARG 13 -4.389 -0.244 2.537
95 HD3 ARG 13 HD1 ARG 13 -4.337 -0.533 4.271
96 HE ARG 13 HE ARG 13 -6.807 -1.462 3.475
97 HH11 ARG 13 1HH2 ARG 13 -3.497 -2.021 2.634
98 HH12 ARG 13 2HH2 ARG 13 -3.745 -3.676 2.191
99 HH21 ARG 13 1HH1 ARG 13 -7.140 -3.633 2.896
100 HH22 ARG 13 2HH1 ARG 13 -5.808 -4.589 2.340
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 -0.431 5.742 -6.781
2 H2 GLY 1 HT2 GLY 1 -1.637 5.006 -5.837
3 H3 GLY 1 HT3 GLY 1 -1.249 4.376 -7.366
4 HA2 GLY 1 HA2 GLY 1 1.083 4.029 -6.444
5 HA3 GLY 1 HA1 GLY 1 0.323 4.261 -4.869
6 H CYS 2 H CYS 2 1.014 2.000 -4.517
7 HA CYS 2 HA CYS 2 -0.716 0.022 -5.863
8 HB2 CYS 2 HB2 CYS 2 0.882 -1.596 -4.705
9 HB3 CYS 2 HB1 CYS 2 1.507 -0.664 -6.059
10 H ABA 3 H ABA 3 -2.009 1.550 -4.121
11 HA ABA 3 HA ABA 3 -2.060 0.601 -1.438
12 HB3 ABA 3 HB1 ABA 3 -4.471 1.821 -2.738
13 HB2 ABA 3 HB2 ABA 3 -3.037 2.810 -2.466
14 HG1 ABA 3 HG ABA 3 -4.107 1.208 -0.123
15 H SER 4 H SER 4 -3.069 -0.770 -4.342
16 HA SER 4 HA SER 4 -5.429 -2.124 -3.575
17 HB2 SER 4 HB2 SER 4 -4.970 -3.597 -5.471
18 HB3 SER 4 HB1 SER 4 -4.666 -1.920 -5.919
19 HG SER 4 HG SER 4 -2.525 -3.272 -4.814
20 H ASP 5 H ASP 5 -2.039 -2.747 -2.989
21 HA ASP 5 HA ASP 5 -2.800 -5.209 -1.572
22 HB2 ASP 5 HB2 ASP 5 -0.187 -4.599 -2.946
23 HB3 ASP 5 HB1 ASP 5 -0.519 -6.047 -1.997
24 HA PRO 6 HA PRO 6 -1.299 -2.915 2.019
25 HB2 PRO 6 HB2 PRO 6 -1.426 -4.937 3.849
26 HB3 PRO 6 HB1 PRO 6 -2.859 -4.067 3.269
27 HG2 PRO 6 HG2 PRO 6 -1.817 -6.739 2.491
28 HG3 PRO 6 HG1 PRO 6 -3.490 -6.196 2.713
29 HD2 PRO 6 HD2 PRO 6 -2.314 -6.478 0.267
30 HD3 PRO 6 HD1 PRO 6 -3.643 -5.344 0.595
31 H ARG 7 H ARG 7 0.198 -5.684 0.642
32 HA ARG 7 HA ARG 7 2.486 -5.721 2.406
33 HB2 ARG 7 HB2 ARG 7 2.060 -7.054 -0.284
34 HB3 ARG 7 HB1 ARG 7 3.369 -7.401 0.842
35 HG2 ARG 7 HG2 ARG 7 0.499 -7.619 1.737
36 HG3 ARG 7 HG1 ARG 7 1.262 -8.951 0.872
37 HD2 ARG 7 HD2 ARG 7 3.101 -8.928 2.586
38 HD3 ARG 7 HD1 ARG 7 2.200 -7.714 3.482
39 HE ARG 7 HE ARG 7 0.488 -9.891 3.033
40 HH11 ARG 7 1HH2 ARG 7 3.411 -9.076 4.696
41 HH12 ARG 7 2HH2 ARG 7 3.172 -10.229 5.967
42 HH21 ARG 7 1HH1 ARG 7 0.169 -11.405 4.696
43 HH22 ARG 7 2HH1 ARG 7 1.337 -11.547 5.967
44 H CYS 8 H CYS 8 1.502 -3.780 -0.166
45 HA CYS 8 HA CYS 8 4.097 -3.271 -1.316
46 HB2 CYS 8 HB2 CYS 8 1.730 -2.946 -2.382
47 HB3 CYS 8 HB1 CYS 8 1.765 -1.390 -1.554
48 H ARG 9 H ARG 9 5.380 -1.419 -1.031
49 HA ARG 9 HA ARG 9 5.613 -0.450 1.596
50 HB2 ARG 9 HB2 ARG 9 7.268 1.089 0.705
51 HB3 ARG 9 HB1 ARG 9 7.456 -0.482 -0.077
52 HG2 ARG 9 HG2 ARG 9 5.981 0.392 -1.948
53 HG3 ARG 9 HG1 ARG 9 6.115 1.987 -1.207
54 HD2 ARG 9 HD2 ARG 9 8.475 0.297 -2.069
55 HD3 ARG 9 HD1 ARG 9 7.795 1.612 -3.020
56 HE ARG 9 HE ARG 9 9.400 1.864 -0.601
57 HH11 ARG 9 1HH2 ARG 9 7.220 3.314 -2.865
58 HH12 ARG 9 2HH2 ARG 9 7.688 4.937 -2.487
59 HH21 ARG 9 1HH1 ARG 9 10.019 3.992 -0.101
60 HH22 ARG 9 2HH1 ARG 9 9.273 5.321 -0.922
61 H TYR 10 H TYR 10 3.615 0.577 -1.023
62 HA TYR 10 HA TYR 10 3.193 3.268 -0.062
63 HB2 TYR 10 HB2 TYR 10 2.941 2.620 -2.458
64 HB3 TYR 10 HB1 TYR 10 1.530 1.662 -2.009
65 HD1 TYR 10 HD2 TYR 10 2.912 5.088 -2.205
66 HD2 TYR 10 HD1 TYR 10 -0.573 2.699 -1.440
67 HE1 TYR 10 HE2 TYR 10 1.497 7.121 -2.309
68 HE2 TYR 10 HE1 TYR 10 -1.990 4.732 -1.543
69 HH TYR 10 HH TYR 10 -0.829 7.720 -2.732
70 H ARG 11 H ARG 11 1.718 3.957 1.373
71 HA ARG 11 HA ARG 11 -0.247 1.993 2.388
72 HB2 ARG 11 HB2 ARG 11 1.035 4.324 3.842
73 HB3 ARG 11 HB1 ARG 11 -0.146 3.208 4.526
74 HG2 ARG 11 HG2 ARG 11 2.343 2.082 3.290
75 HG3 ARG 11 HG1 ARG 11 2.448 2.801 4.896
76 HD2 ARG 11 HD2 ARG 11 0.415 0.679 4.152
77 HD3 ARG 11 HD1 ARG 11 1.972 0.313 4.881
78 HE ARG 11 HE ARG 11 0.786 2.222 6.512
79 HH11 ARG 11 1HH2 ARG 11 0.108 -0.961 5.336
80 HH12 ARG 11 2HH2 ARG 11 -0.794 -1.436 6.737
81 HH21 ARG 11 1HH1 ARG 11 -0.397 1.606 8.352
82 HH22 ARG 11 2HH1 ARG 11 -1.080 0.017 8.444
83 H ABA 12 H ABA 12 -2.360 2.566 2.544
84 HA ABA 12 HA ABA 12 -3.101 5.107 1.259
85 HB3 ABA 12 HB1 ABA 12 -5.421 3.946 1.276
86 HB2 ABA 12 HB2 ABA 12 -4.515 2.483 1.663
87 HG1 ABA 12 HG ABA 12 -3.967 4.182 -0.826
88 H ARG 13 H ARG 13 -4.838 6.376 2.155
89 HA ARG 13 HA ARG 13 -4.728 6.443 5.076
90 HB2 ARG 13 HB2 ARG 13 -5.820 8.643 4.831
91 HB3 ARG 13 HB1 ARG 13 -4.354 8.538 3.856
92 HG2 ARG 13 HG2 ARG 13 -5.721 7.997 1.866
93 HG3 ARG 13 HG1 ARG 13 -7.186 8.126 2.838
94 HD2 ARG 13 HD2 ARG 13 -6.658 10.478 3.336
95 HD3 ARG 13 HD1 ARG 13 -5.183 10.357 2.380
96 HE ARG 13 HE ARG 13 -7.368 9.585 0.770
97 HH11 ARG 13 1HH2 ARG 13 -6.029 12.344 2.373
98 HH12 ARG 13 2HH2 ARG 13 -6.661 13.485 1.233
99 HH21 ARG 13 1HH1 ARG 13 -8.198 11.076 -0.729
100 HH22 ARG 13 2HH1 ARG 13 -7.888 12.767 -0.523
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 0.771 3.860 -7.838
2 H2 GLY 1 HT2 GLY 1 0.955 2.768 -6.549
3 H3 GLY 1 HT3 GLY 1 -0.385 3.812 -6.597
4 HA2 GLY 1 HA2 GLY 1 -1.457 2.629 -8.226
5 HA3 GLY 1 HA1 GLY 1 0.052 1.921 -8.805
6 H CYS 2 H CYS 2 0.928 1.396 -6.001
7 HA CYS 2 HA CYS 2 -0.673 -1.048 -5.579
8 HB2 CYS 2 HB2 CYS 2 1.273 -2.002 -4.549
9 HB3 CYS 2 HB1 CYS 2 1.773 -1.286 -6.081
10 H ABA 3 H ABA 3 -1.820 1.159 -4.634
11 HA ABA 3 HA ABA 3 -1.069 1.563 -1.850
12 HB3 ABA 3 HB1 ABA 3 -3.101 2.756 -3.704
13 HB2 ABA 3 HB2 ABA 3 -1.829 3.555 -2.779
14 HG1 ABA 3 HG ABA 3 -4.345 2.352 -1.511
15 H SER 4 H SER 4 -3.619 -0.007 -3.715
16 HA SER 4 HA SER 4 -5.265 -0.679 -1.487
17 HB2 SER 4 HB2 SER 4 -6.436 -2.128 -3.032
18 HB3 SER 4 HB1 SER 4 -6.042 -0.625 -3.862
19 HG SER 4 HG SER 4 -5.300 -2.081 -5.250
20 H ASP 5 H ASP 5 -2.343 -1.971 -2.754
21 HA ASP 5 HA ASP 5 -2.706 -4.576 -1.508
22 HB2 ASP 5 HB2 ASP 5 -0.332 -3.400 -2.961
23 HB3 ASP 5 HB1 ASP 5 -0.479 -5.073 -2.422
24 HA PRO 6 HA PRO 6 -0.956 -2.928 2.278
25 HB2 PRO 6 HB2 PRO 6 -1.195 -5.229 3.744
26 HB3 PRO 6 HB1 PRO 6 -2.555 -4.141 3.407
27 HG2 PRO 6 HG2 PRO 6 -1.829 -6.720 2.121
28 HG3 PRO 6 HG1 PRO 6 -3.425 -6.062 2.514
29 HD2 PRO 6 HD2 PRO 6 -2.336 -6.017 -0.015
30 HD3 PRO 6 HD1 PRO 6 -3.555 -4.855 0.558
31 H ARG 7 H ARG 7 0.190 -5.579 0.390
32 HA ARG 7 HA ARG 7 2.550 -6.101 1.964
33 HB2 ARG 7 HB2 ARG 7 1.786 -6.918 -0.851
34 HB3 ARG 7 HB1 ARG 7 3.213 -7.496 0.011
35 HG2 ARG 7 HG2 ARG 7 0.553 -7.730 1.363
36 HG3 ARG 7 HG1 ARG 7 0.938 -8.870 0.073
37 HD2 ARG 7 HD2 ARG 7 2.712 -8.332 2.471
38 HD3 ARG 7 HD1 ARG 7 1.611 -9.698 2.333
39 HE ARG 7 HE ARG 7 3.214 -9.766 0.065
40 HH11 ARG 7 1HH2 ARG 7 3.586 -9.874 3.502
41 HH12 ARG 7 2HH2 ARG 7 5.006 -10.865 3.456
42 HH21 ARG 7 1HH1 ARG 7 5.076 -11.065 -0.005
43 HH22 ARG 7 2HH1 ARG 7 5.850 -11.539 1.471
44 H CYS 8 H CYS 8 1.613 -3.722 -0.269
45 HA CYS 8 HA CYS 8 4.273 -3.210 -1.316
46 HB2 CYS 8 HB2 CYS 8 1.963 -2.781 -2.466
47 HB3 CYS 8 HB1 CYS 8 1.986 -1.283 -1.536
48 H ARG 9 H ARG 9 5.406 -1.207 -1.033
49 HA ARG 9 HA ARG 9 5.777 -0.539 1.667
50 HB2 ARG 9 HB2 ARG 9 7.492 -0.192 -0.072
51 HB3 ARG 9 HB1 ARG 9 6.503 1.083 -0.785
52 HG2 ARG 9 HG2 ARG 9 6.663 2.411 1.243
53 HG3 ARG 9 HG1 ARG 9 7.515 1.109 2.071
54 HD2 ARG 9 HD2 ARG 9 8.535 2.507 -0.415
55 HD3 ARG 9 HD1 ARG 9 9.044 2.900 1.224
56 HE ARG 9 HE ARG 9 9.434 0.156 0.889
57 HH11 ARG 9 1HH2 ARG 9 10.527 3.149 -0.460
58 HH12 ARG 9 2HH2 ARG 9 12.095 2.546 -0.883
59 HH21 ARG 9 1HH1 ARG 9 11.488 -0.643 0.336
60 HH22 ARG 9 2HH1 ARG 9 12.638 0.398 -0.433
61 H TYR 10 H TYR 10 4.003 1.145 -0.915
62 HA TYR 10 HA TYR 10 3.022 3.122 1.017
63 HB2 TYR 10 HB2 TYR 10 3.860 3.692 -1.348
64 HB3 TYR 10 HB1 TYR 10 2.335 3.012 -1.915
65 HD1 TYR 10 HD1 TYR 10 3.907 5.738 -0.001
66 HD2 TYR 10 HD2 TYR 10 0.199 4.085 -1.406
67 HE1 TYR 10 HE1 TYR 10 2.749 7.857 0.561
68 HE2 TYR 10 HE2 TYR 10 -0.958 6.206 -0.844
69 HH TYR 10 HH TYR 10 -0.748 8.146 0.369
70 H ARG 11 H ARG 11 1.148 2.844 2.028
71 HA ARG 11 HA ARG 11 -0.946 1.220 0.717
72 HB2 ARG 11 HB2 ARG 11 0.200 -0.023 2.568
73 HB3 ARG 11 HB1 ARG 11 -0.347 1.229 3.681
74 HG2 ARG 11 HG2 ARG 11 -2.704 0.766 2.944
75 HG3 ARG 11 HG1 ARG 11 -2.092 -0.592 2.001
76 HD2 ARG 11 HD2 ARG 11 -2.832 -1.476 4.112
77 HD3 ARG 11 HD1 ARG 11 -1.071 -1.493 4.128
78 HE ARG 11 HE ARG 11 -1.113 0.127 5.804
79 HH11 ARG 11 1HH2 ARG 11 -4.216 -0.257 4.323
80 HH12 ARG 11 2HH2 ARG 11 -5.047 0.717 5.491
81 HH21 ARG 11 1HH1 ARG 11 -2.194 1.406 7.338
82 HH22 ARG 11 2HH1 ARG 11 -3.902 1.658 7.197
83 H ABA 12 H ABA 12 -2.881 2.180 0.590
84 HA ABA 12 HA ABA 12 -3.244 4.748 1.985
85 HB3 ABA 12 HB1 ABA 12 -4.531 5.424 0.227
86 HB2 ABA 12 HB2 ABA 12 -5.233 3.825 -0.011
87 HG1 ABA 12 HG ABA 12 -2.561 4.799 -1.085
88 H ARG 13 H ARG 13 -6.039 4.860 1.853
89 HA ARG 13 HA ARG 13 -6.715 3.116 4.103
90 HB2 ARG 13 HB2 ARG 13 -8.697 4.566 4.328
91 HB3 ARG 13 HB1 ARG 13 -7.208 5.512 4.301
92 HG2 ARG 13 HG2 ARG 13 -7.543 5.947 1.883
93 HG3 ARG 13 HG1 ARG 13 -9.056 5.043 1.941
94 HD2 ARG 13 HD2 ARG 13 -9.947 6.627 3.605
95 HD3 ARG 13 HD1 ARG 13 -8.435 7.529 3.561
96 HE ARG 13 HE ARG 13 -9.442 7.344 0.936
97 HH11 ARG 13 1HH2 ARG 13 -10.161 8.762 4.009
98 HH12 ARG 13 2HH2 ARG 13 -10.990 10.128 3.340
99 HH21 ARG 13 1HH1 ARG 13 -10.528 9.132 0.050
100 HH22 ARG 13 2HH1 ARG 13 -11.198 10.337 1.099
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 -1.067 3.020 -6.559
2 H2 GLY 1 HT2 GLY 1 -1.174 3.863 -8.030
3 H3 GLY 1 HT3 GLY 1 0.344 3.440 -7.400
4 HA2 GLY 1 HA2 GLY 1 -1.534 1.862 -8.929
5 HA3 GLY 1 HA1 GLY 1 0.218 1.706 -8.790
6 H CYS 2 H CYS 2 0.638 1.389 -6.138
7 HA CYS 2 HA CYS 2 -0.793 -1.127 -5.531
8 HB2 CYS 2 HB2 CYS 2 1.142 -1.896 -4.449
9 HB3 CYS 2 HB1 CYS 2 1.684 -1.204 -5.970
10 H ABA 3 H ABA 3 -2.102 1.026 -4.858
11 HA ABA 3 HA ABA 3 -1.531 1.896 -2.154
12 HB3 ABA 3 HB1 ABA 3 -4.170 2.407 -3.448
13 HB2 ABA 3 HB2 ABA 3 -2.740 3.170 -4.144
14 HG1 ABA 3 HG ABA 3 -2.747 4.712 -2.354
15 H SER 4 H SER 4 -3.974 -0.118 -3.766
16 HA SER 4 HA SER 4 -5.367 -0.754 -1.342
17 HB2 SER 4 HB2 SER 4 -6.621 -2.311 -2.700
18 HB3 SER 4 HB1 SER 4 -6.400 -0.824 -3.618
19 HG SER 4 HG SER 4 -5.819 -2.422 -4.990
20 H ASP 5 H ASP 5 -2.481 -1.895 -2.800
21 HA ASP 5 HA ASP 5 -2.614 -4.543 -1.697
22 HB2 ASP 5 HB2 ASP 5 -0.325 -3.024 -2.923
23 HB3 ASP 5 HB1 ASP 5 -0.275 -4.728 -2.464
24 HA PRO 6 HA PRO 6 -1.049 -3.025 2.283
25 HB2 PRO 6 HB2 PRO 6 -1.169 -5.346 3.675
26 HB3 PRO 6 HB1 PRO 6 -2.614 -4.399 3.271
27 HG2 PRO 6 HG2 PRO 6 -1.551 -6.866 1.992
28 HG3 PRO 6 HG1 PRO 6 -3.224 -6.390 2.322
29 HD2 PRO 6 HD2 PRO 6 -2.000 -6.156 -0.154
30 HD3 PRO 6 HD1 PRO 6 -3.408 -5.201 0.371
31 H ARG 7 H ARG 7 0.303 -5.636 0.420
32 HA ARG 7 HA ARG 7 2.662 -5.993 2.027
33 HB2 ARG 7 HB2 ARG 7 3.406 -7.464 0.258
34 HB3 ARG 7 HB1 ARG 7 1.695 -7.765 0.556
35 HG2 ARG 7 HG2 ARG 7 1.166 -6.190 -1.340
36 HG3 ARG 7 HG1 ARG 7 2.891 -6.129 -1.698
37 HD2 ARG 7 HD2 ARG 7 2.903 -8.596 -1.973
38 HD3 ARG 7 HD1 ARG 7 1.166 -8.618 -1.684
39 HE ARG 7 HE ARG 7 2.506 -7.757 -4.109
40 HH11 ARG 7 1HH2 ARG 7 -0.339 -7.644 -2.141
41 HH12 ARG 7 2HH2 ARG 7 -1.396 -7.234 -3.450
42 HH21 ARG 7 1HH1 ARG 7 1.126 -7.218 -5.831
43 HH22 ARG 7 2HH1 ARG 7 -0.566 -6.993 -5.540
44 H CYS 8 H CYS 8 1.687 -3.763 -0.391
45 HA CYS 8 HA CYS 8 4.265 -3.113 -1.432
46 HB2 CYS 8 HB2 CYS 8 1.911 -2.599 -2.393
47 HB3 CYS 8 HB1 CYS 8 1.962 -1.185 -1.342
48 H ARG 9 H ARG 9 5.502 -1.206 -1.010
49 HA ARG 9 HA ARG 9 5.966 -0.672 1.699
50 HB2 ARG 9 HB2 ARG 9 7.603 -0.312 -0.158
51 HB3 ARG 9 HB1 ARG 9 6.665 1.097 -0.656
52 HG2 ARG 9 HG2 ARG 9 6.996 2.086 1.597
53 HG3 ARG 9 HG1 ARG 9 7.994 0.701 2.035
54 HD2 ARG 9 HD2 ARG 9 8.561 2.603 -0.255
55 HD3 ARG 9 HD1 ARG 9 9.365 2.637 1.312
56 HE ARG 9 HE ARG 9 9.798 0.704 -0.821
57 HH11 ARG 9 1HH2 ARG 9 10.153 1.542 2.517
58 HH12 ARG 9 2HH2 ARG 9 11.476 0.458 2.791
59 HH21 ARG 9 1HH1 ARG 9 11.530 -0.722 -0.469
60 HH22 ARG 9 2HH1 ARG 9 12.255 -0.823 1.100
61 H TYR 10 H TYR 10 4.157 1.164 -0.752
62 HA TYR 10 HA TYR 10 3.279 3.060 1.313
63 HB2 TYR 10 HB2 TYR 10 4.066 3.990 -0.828
64 HB3 TYR 10 HB1 TYR 10 2.828 3.067 -1.682
65 HD1 TYR 10 HD1 TYR 10 3.337 5.688 0.919
66 HD2 TYR 10 HD2 TYR 10 0.598 3.870 -1.847
67 HE1 TYR 10 HE1 TYR 10 1.695 7.495 1.357
68 HE2 TYR 10 HE2 TYR 10 -1.043 5.676 -1.408
69 HH TYR 10 HH TYR 10 -1.046 7.999 -0.598
70 H ARG 11 H ARG 11 1.353 2.871 2.266
71 HA ARG 11 HA ARG 11 -0.686 1.136 0.998
72 HB2 ARG 11 HB2 ARG 11 -0.140 1.591 3.941
73 HB3 ARG 11 HB1 ARG 11 -1.456 0.615 3.286
74 HG2 ARG 11 HG2 ARG 11 0.099 -0.931 2.275
75 HG3 ARG 11 HG1 ARG 11 1.467 0.105 2.680
76 HD2 ARG 11 HD2 ARG 11 -0.367 -1.192 4.713
77 HD3 ARG 11 HD1 ARG 11 1.216 -1.811 4.256
78 HE ARG 11 HE ARG 11 1.572 0.851 5.026
79 HH11 ARG 11 1HH2 ARG 11 0.503 -2.156 6.363
80 HH12 ARG 11 2HH2 ARG 11 1.029 -1.788 7.971
81 HH21 ARG 11 1HH1 ARG 11 2.265 1.343 7.133
82 HH22 ARG 11 2HH1 ARG 11 2.026 0.194 8.407
83 H ABA 12 H ABA 12 -2.804 1.826 0.994
84 HA ABA 12 HA ABA 12 -3.404 4.449 2.185
85 HB3 ABA 12 HB1 ABA 12 -2.871 5.087 -0.036
86 HB2 ABA 12 HB2 ABA 12 -4.631 5.005 0.014
87 HG1 ABA 12 HG ABA 12 -4.110 2.447 -0.816
88 H ARG 13 H ARG 13 -5.865 4.911 1.757
89 HA ARG 13 HA ARG 13 -7.343 2.964 3.137
90 HB2 ARG 13 HB2 ARG 13 -8.324 5.205 1.352
91 HB3 ARG 13 HB1 ARG 13 -9.325 4.296 2.484
92 HG2 ARG 13 HG2 ARG 13 -8.038 5.088 4.368
93 HG3 ARG 13 HG1 ARG 13 -6.844 5.829 3.303
94 HD2 ARG 13 HD2 ARG 13 -9.766 6.620 3.406
95 HD3 ARG 13 HD1 ARG 13 -8.474 7.478 4.241
96 HE ARG 13 HE ARG 13 -7.728 7.302 1.556
97 HH11 ARG 13 1HH2 ARG 13 -10.254 8.652 3.497
98 HH12 ARG 13 2HH2 ARG 13 -10.550 9.985 2.431
99 HH21 ARG 13 1HH1 ARG 13 -8.109 9.047 0.153
100 HH22 ARG 13 2HH1 ARG 13 -9.336 10.209 0.537