Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15316 | 1xy6 RC | 6424 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TYR 1 1H TYR 1 5.871 0.852 0.582
2 HA TYR 1 HA TYR 1 5.068 0.275 -1.593
3 2HB TYR 1 2HB TYR 1 6.881 -1.067 -2.420
4 HD1 TYR 1 HD1 TYR 1 8.633 -0.678 -0.563
5 HD2 TYR 1 HD2 TYR 1 6.048 -4.088 -0.680
6 HE1 TYR 1 HE1 TYR 1 10.210 -1.937 0.982
7 HE2 TYR 1 HE2 TYR 1 7.635 -5.333 0.866
8 HH TYR 1 HH TYR 1 10.386 -3.702 2.323
9 H CYS 2 H CYS 2 3.430 -1.652 -2.114
10 HA CYS 2 HA CYS 2 1.590 -2.684 -1.513
11 2HB CYS 2 2HB CYS 2 1.645 -4.055 0.625
12 H LYS 3 H LYS 3 2.145 -2.300 1.955
13 HA LYS 3 HA LYS 3 -0.170 -0.656 2.177
14 2HB LYS 3 2HB LYS 3 0.614 -2.494 3.772
15 2HG LYS 3 2HG LYS 3 2.948 -1.057 3.909
16 2HD LYS 3 2HD LYS 3 1.985 -0.470 6.636
17 2HE LYS 3 2HE LYS 3 2.985 1.869 5.509
18 1HZ LYS 3 1HZ LYS 3 5.078 1.112 6.547
19 2HZ LYS 3 2HZ LYS 3 3.809 0.828 7.530
20 H PHE 4 H PHE 4 -0.321 1.536 2.291
21 HA PHE 4 HA PHE 4 0.301 3.646 2.111
22 2HB PHE 4 2HB PHE 4 2.716 2.951 3.847
23 HD1 PHE 4 HD1 PHE 4 -0.454 4.788 4.487
24 HD2 PHE 4 HD2 PHE 4 3.745 5.044 3.925
25 HE1 PHE 4 HE1 PHE 4 -0.518 7.216 5.119
26 HE2 PHE 4 HE2 PHE 4 3.680 7.473 4.557
27 HZ PHE 4 HZ PHE 4 1.550 8.530 5.147
28 H GLU 5 H GLU 5 0.912 3.363 -0.172
29 HA GLU 5 HA GLU 5 3.752 3.075 -0.611
30 1HB GLU 5 1HB GLU 5 3.231 2.603 -2.859
31 2HB GLU 5 2HB GLU 5 1.883 1.901 -1.987
32 1HG GLU 5 1HG GLU 5 0.645 4.139 -2.353
33 2HG GLU 5 2HG GLU 5 1.937 4.573 -3.456
34 H DTR 6 H DTR 6 1.800 5.540 0.331
35 HA DTR 6 HA DTR 6 2.872 7.572 -1.515
36 1HB DTR 6 1HB DTR 6 3.948 8.753 0.191
37 2HB DTR 6 2HB DTR 6 3.214 7.797 1.462
38 HD1 DTR 6 HD1 DTR 6 4.879 6.081 2.496
39 HE1 DTR 6 HE1 DTR 6 7.047 4.746 1.797
40 HZ2 DTR 6 HZ2 DTR 6 8.533 4.545 -0.631
41 HH2 DTR 6 HH2 DTR 6 8.567 5.392 -3.007
42 HZ3 DTR 6 HZ3 DTR 6 6.839 6.941 -3.773
43 HE3 DTR 6 HE3 DTR 6 4.998 7.755 -2.304
44 H IAM 7 H IAM 7 0.173 6.486 -1.182
45 HA IAM 7 HA IAM 7 -1.113 8.844 -0.051
46 HB IAM 7 HB IAM 7 -1.809 8.338 -2.305
47 HD1 IAM 7 HD1 IAM 7 -3.633 5.454 -1.027
48 HE1 IAM 7 HE1 IAM 7 -6.109 5.447 -0.612
49 HE2 IAM 7 HE2 IAM 7 -6.214 9.652 -1.170
50 HD2 IAM 7 HD2 IAM 7 -3.738 9.657 -1.584
51 1HT IAM 7 1HT IAM 7 -8.253 8.407 -1.069
52 2HT IAM 7 2HT IAM 7 -7.998 7.561 0.440
53 HH IAM 7 HH IAM 7 -9.079 5.765 -0.653
54 HI IAM 7 HI IAM 7 -7.015 5.545 -2.561
55 1HB IAM 7 1HB IAM 7 -1.757 6.610 -2.024
56 1HK1 IAM 7 1HK1 IAM 7 -9.169 7.429 -3.543
57 2HK1 IAM 7 2HK1 IAM 7 -7.517 7.883 -3.197
58 3HK1 IAM 7 3HK1 IAM 7 -7.863 6.784 -4.512
59 1HK2 IAM 7 1HK2 IAM 7 -8.485 3.812 -2.813
60 2HK2 IAM 7 2HK2 IAM 7 -9.886 4.817 -2.535
61 3HK2 IAM 7 3HK2 IAM 7 -9.097 4.831 -4.094
62 H THR 8 H THR 8 -1.823 5.276 -0.247
63 HA THR 8 HA THR 8 -2.003 4.918 2.520
64 HB THR 8 HB THR 8 -4.153 6.430 1.552
65 HG1 THR 8 HG1 THR 8 -4.016 4.427 3.697
66 1HG2 THR 8 1HG2 THR 8 -5.161 3.611 2.138
67 2HG2 THR 8 2HG2 THR 8 -6.101 5.016 1.584
68 3HG2 THR 8 3HG2 THR 8 -4.975 4.205 0.469
69 H PHE 9 H PHE 9 -3.224 2.778 3.026
70 HA PHE 9 HA PHE 9 -2.036 0.738 1.814
71 2HB PHE 9 2HB PHE 9 -3.420 0.324 3.736
72 HD1 PHE 9 HD1 PHE 9 -4.274 2.432 4.649
73 HD2 PHE 9 HD2 PHE 9 -6.409 0.313 1.657
74 HE1 PHE 9 HE1 PHE 9 -6.327 3.782 5.160
75 HE2 PHE 9 HE2 PHE 9 -8.464 1.661 2.168
76 HZ PHE 9 HZ PHE 9 -8.398 3.379 3.914
77 H LYS 10 H LYS 10 -1.745 0.735 -0.426
78 HA LYS 10 HA LYS 10 -4.057 -0.102 -1.929
79 1HB LYS 10 1HB LYS 10 -4.037 1.617 -3.556
80 2HB LYS 10 2HB LYS 10 -4.106 2.414 -1.997
81 1HG LYS 10 1HG LYS 10 -1.566 2.665 -2.098
82 2HG LYS 10 2HG LYS 10 -1.621 2.035 -3.732
83 1HD LYS 10 1HD LYS 10 -3.586 4.042 -3.752
84 2HD LYS 10 2HD LYS 10 -2.333 4.722 -2.736
85 1HE LYS 10 1HE LYS 10 -1.817 3.521 -5.499
86 2HE LYS 10 2HE LYS 10 -2.058 5.232 -5.207
87 1HZ LYS 10 1HZ LYS 10 0.343 4.158 -5.158
88 H SER 11 H SER 11 -3.444 -1.084 -3.993
89 HA SER 11 HA SER 11 -2.176 -2.291 -5.275
90 2HB SER 11 2HB SER 11 0.517 -1.482 -4.767
91 HG SER 11 HG SER 11 0.390 -1.034 -6.867
92 H CYS 12 H CYS 12 -1.157 -4.345 -5.138
93 HA CYS 12 HA CYS 12 -0.448 -6.176 -4.160
94 2HB CYS 12 2HB CYS 12 1.283 -4.095 -2.930
Start of MODEL 2
1 1H TYR 1 1H TYR 1 -0.230 -8.029 2.278
2 HA TYR 1 HA TYR 1 -1.688 -7.074 -0.052
3 2HB TYR 1 2HB TYR 1 -2.407 -5.912 2.531
4 HD1 TYR 1 HD1 TYR 1 -4.558 -5.269 1.923
5 HD2 TYR 1 HD2 TYR 1 -3.258 -9.248 1.035
6 HE1 TYR 1 HE1 TYR 1 -6.883 -5.847 1.073
7 HE2 TYR 1 HE2 TYR 1 -5.590 -9.812 0.189
8 HH TYR 1 HH TYR 1 -8.165 -7.359 0.231
9 H CYS 2 H CYS 2 1.216 -6.284 0.746
10 HA CYS 2 HA CYS 2 2.458 -4.470 0.898
11 2HB CYS 2 2HB CYS 2 1.059 -2.440 -0.380
12 H LYS 3 H LYS 3 2.020 -1.735 1.247
13 HA LYS 3 HA LYS 3 -0.040 -0.996 2.921
14 2HB LYS 3 2HB LYS 3 2.028 -1.122 4.904
15 2HG LYS 3 2HG LYS 3 0.258 -2.285 6.170
16 2HD LYS 3 2HD LYS 3 -1.426 -0.587 6.109
17 2HE LYS 3 2HE LYS 3 0.730 1.013 4.751
18 1HZ LYS 3 1HZ LYS 3 -0.083 1.514 7.480
19 2HZ LYS 3 2HZ LYS 3 0.001 2.552 6.227
20 H PHE 4 H PHE 4 -0.054 1.111 2.372
21 HA PHE 4 HA PHE 4 0.632 3.204 2.160
22 2HB PHE 4 2HB PHE 4 3.491 2.717 2.882
23 HD1 PHE 4 HD1 PHE 4 2.319 3.477 5.894
24 HD2 PHE 4 HD2 PHE 4 2.315 5.191 2.011
25 HE1 PHE 4 HE1 PHE 4 2.069 5.764 6.902
26 HE2 PHE 4 HE2 PHE 4 2.066 7.475 3.019
27 HZ PHE 4 HZ PHE 4 1.946 7.734 5.452
28 H GLU 5 H GLU 5 0.487 3.240 -0.109
29 HA GLU 5 HA GLU 5 2.884 2.431 -1.528
30 1HB GLU 5 1HB GLU 5 1.552 2.106 -3.415
31 2HB GLU 5 2HB GLU 5 0.419 1.721 -2.133
32 1HG GLU 5 1HG GLU 5 -0.387 4.136 -2.208
33 2HG GLU 5 2HG GLU 5 0.651 4.392 -3.597
34 H DTR 6 H DTR 6 1.447 5.184 -0.147
35 HA DTR 6 HA DTR 6 2.437 7.059 -2.186
36 1HB DTR 6 1HB DTR 6 3.871 8.146 -0.576
37 2HB DTR 6 2HB DTR 6 3.438 6.986 0.665
38 HD1 DTR 6 HD1 DTR 6 5.449 5.368 1.012
39 HE1 DTR 6 HE1 DTR 6 7.244 4.091 -0.438
40 HZ2 DTR 6 HZ2 DTR 6 7.823 4.015 -3.233
41 HH2 DTR 6 HH2 DTR 6 7.056 4.967 -5.439
42 HZ3 DTR 6 HZ3 DTR 6 5.178 6.530 -5.503
43 HE3 DTR 6 HE3 DTR 6 3.944 7.256 -3.463
44 H IAM 7 H IAM 7 -0.231 6.777 -1.778
45 HA IAM 7 HA IAM 7 -0.902 9.100 -0.207
46 HB IAM 7 HB IAM 7 -2.895 7.268 -1.577
47 HD1 IAM 7 HD1 IAM 7 -3.203 7.040 -3.928
48 HE1 IAM 7 HE1 IAM 7 -2.182 7.089 -6.223
49 HE2 IAM 7 HE2 IAM 7 1.082 9.348 -4.722
50 HD2 IAM 7 HD2 IAM 7 0.059 9.302 -2.429
51 1HT IAM 7 1HT IAM 7 0.886 9.008 -7.039
52 2HT IAM 7 2HT IAM 7 -0.629 8.463 -7.726
53 HH IAM 7 HH IAM 7 1.726 6.873 -7.570
54 HI IAM 7 HI IAM 7 -0.593 5.689 -6.260
55 1HB IAM 7 1HB IAM 7 -2.884 9.018 -1.537
56 1HK1 IAM 7 1HK1 IAM 7 1.328 4.479 -8.259
57 2HK1 IAM 7 2HK1 IAM 7 1.556 4.491 -6.527
58 3HK1 IAM 7 3HK1 IAM 7 0.240 3.581 -7.228
59 1HK2 IAM 7 1HK2 IAM 7 -1.412 6.675 -8.582
60 2HK2 IAM 7 2HK2 IAM 7 -0.710 5.199 -9.194
61 3HK2 IAM 7 3HK2 IAM 7 -1.990 5.130 -8.008
62 H THR 8 H THR 8 -1.884 5.606 -0.386
63 HA THR 8 HA THR 8 -2.021 5.338 2.405
64 HB THR 8 HB THR 8 -4.148 6.828 1.500
65 HG1 THR 8 HG1 THR 8 -4.310 4.654 3.455
66 1HG2 THR 8 1HG2 THR 8 -5.044 3.899 1.607
67 2HG2 THR 8 2HG2 THR 8 -6.127 5.310 1.551
68 3HG2 THR 8 3HG2 THR 8 -5.088 4.928 0.157
69 H PHE 9 H PHE 9 -3.121 3.192 3.014
70 HA PHE 9 HA PHE 9 -1.923 1.139 1.853
71 2HB PHE 9 2HB PHE 9 -4.646 1.568 3.136
72 HD1 PHE 9 HD1 PHE 9 -2.573 -1.384 2.133
73 HD2 PHE 9 HD2 PHE 9 -6.455 0.207 2.769
74 HE1 PHE 9 HE1 PHE 9 -3.584 -3.585 1.468
75 HE2 PHE 9 HE2 PHE 9 -7.466 -1.993 2.104
76 HZ PHE 9 HZ PHE 9 -6.017 -3.862 1.462
77 H LYS 10 H LYS 10 -1.669 0.939 -0.364
78 HA LYS 10 HA LYS 10 -4.092 0.239 -1.814
79 1HB LYS 10 1HB LYS 10 -2.212 2.477 -2.591
80 2HB LYS 10 2HB LYS 10 -3.230 1.660 -3.761
81 1HG LYS 10 1HG LYS 10 -5.052 2.189 -1.740
82 2HG LYS 10 2HG LYS 10 -3.983 3.572 -1.608
83 1HD LYS 10 1HD LYS 10 -5.681 2.711 -3.962
84 2HD LYS 10 2HD LYS 10 -5.594 4.283 -3.192
85 1HE LYS 10 1HE LYS 10 -3.834 3.103 -5.296
86 2HE LYS 10 2HE LYS 10 -4.303 4.773 -5.044
87 1HZ LYS 10 1HZ LYS 10 -1.952 4.446 -4.535
88 H SER 11 H SER 11 -3.705 -1.802 -2.473
89 HA SER 11 HA SER 11 -1.439 -3.145 -2.385
90 2HB SER 11 2HB SER 11 -3.399 -4.338 -2.980
91 HG SER 11 HG SER 11 -3.560 -2.965 -5.511
92 H CYS 12 H CYS 12 0.587 -2.935 -3.256
93 HA CYS 12 HA CYS 12 1.154 -0.970 -5.142
94 2HB CYS 12 2HB CYS 12 3.383 -1.681 -5.028
Start of MODEL 3
1 1H TYR 1 1H TYR 1 7.010 -5.561 -0.964
2 HA TYR 1 HA TYR 1 6.233 -4.347 0.772
3 2HB TYR 1 2HB TYR 1 6.292 -1.652 -0.353
4 HD1 TYR 1 HD1 TYR 1 5.599 -2.149 2.257
5 HD2 TYR 1 HD2 TYR 1 9.570 -2.069 0.667
6 HE1 TYR 1 HE1 TYR 1 6.523 -1.640 4.571
7 HE2 TYR 1 HE2 TYR 1 10.481 -1.560 2.986
8 HH TYR 1 HH TYR 1 9.913 -1.750 5.221
9 H CYS 2 H CYS 2 4.144 -3.461 1.298
10 HA CYS 2 HA CYS 2 2.502 -2.552 -0.874
11 2HB CYS 2 2HB CYS 2 0.793 -4.243 -0.669
12 H LYS 3 H LYS 3 0.233 -1.979 0.081
13 HA LYS 3 HA LYS 3 -1.024 -1.008 1.618
14 2HB LYS 3 2HB LYS 3 -0.794 -1.589 3.988
15 2HG LYS 3 2HG LYS 3 -0.953 -4.078 3.739
16 2HD LYS 3 2HD LYS 3 -2.729 -2.273 2.814
17 2HE LYS 3 2HE LYS 3 -1.352 -3.290 0.417
18 1HZ LYS 3 1HZ LYS 3 -4.305 -3.366 0.319
19 2HZ LYS 3 2HZ LYS 3 -3.250 -3.920 -0.792
20 H PHE 4 H PHE 4 0.732 0.573 0.300
21 HA PHE 4 HA PHE 4 0.880 2.841 1.709
22 2HB PHE 4 2HB PHE 4 3.672 2.384 1.964
23 HD1 PHE 4 HD1 PHE 4 2.940 0.694 4.761
24 HD2 PHE 4 HD2 PHE 4 1.998 4.434 2.991
25 HE1 PHE 4 HE1 PHE 4 2.487 1.656 7.034
26 HE2 PHE 4 HE2 PHE 4 1.546 5.396 5.265
27 HZ PHE 4 HZ PHE 4 1.796 3.996 7.260
28 H GLU 5 H GLU 5 0.599 3.825 -0.288
29 HA GLU 5 HA GLU 5 2.811 3.450 -2.151
30 1HB GLU 5 1HB GLU 5 1.340 3.580 -3.954
31 2HB GLU 5 2HB GLU 5 0.331 2.776 -2.767
32 1HG GLU 5 1HG GLU 5 -0.563 5.068 -2.085
33 2HG GLU 5 2HG GLU 5 0.330 5.757 -3.426
34 H DTR 6 H DTR 6 1.326 5.567 0.066
35 HA DTR 6 HA DTR 6 2.071 8.022 -1.375
36 1HB DTR 6 1HB DTR 6 3.549 8.694 0.409
37 2HB DTR 6 2HB DTR 6 3.265 7.197 1.275
38 HD1 DTR 6 HD1 DTR 6 5.381 5.696 1.032
39 HE1 DTR 6 HE1 DTR 6 7.141 5.028 -0.815
40 HZ2 DTR 6 HZ2 DTR 6 7.530 5.807 -3.534
41 HH2 DTR 6 HH2 DTR 6 6.564 7.299 -5.323
42 HZ3 DTR 6 HZ3 DTR 6 4.604 8.673 -4.833
43 HE3 DTR 6 HE3 DTR 6 3.474 8.687 -2.611
44 H IAM 7 H IAM 7 -0.532 7.551 -0.988
45 HA IAM 7 HA IAM 7 -1.227 9.235 1.230
46 HB IAM 7 HB IAM 7 -3.181 7.691 -0.516
47 HD1 IAM 7 HD1 IAM 7 -3.596 8.085 -2.814
48 HE1 IAM 7 HE1 IAM 7 -2.756 8.922 -5.027
49 HE2 IAM 7 HE2 IAM 7 0.318 11.076 -3.046
50 HD2 IAM 7 HD2 IAM 7 -0.525 10.241 -0.833
51 1HT IAM 7 1HT IAM 7 -0.004 11.387 -5.353
52 2HT IAM 7 2HT IAM 7 -1.489 10.862 -6.117
53 HH IAM 7 HH IAM 7 1.095 9.544 -6.333
54 HI IAM 7 HI IAM 7 -1.287 7.904 -5.923
55 1HB IAM 7 1HB IAM 7 -3.315 9.341 0.055
56 1HK1 IAM 7 1HK1 IAM 7 0.982 7.570 -7.895
57 2HK1 IAM 7 2HK1 IAM 7 0.963 6.934 -6.269
58 3HK1 IAM 7 3HK1 IAM 7 -0.170 6.332 -7.455
59 1HK2 IAM 7 1HK2 IAM 7 -2.540 8.387 -7.717
60 2HK2 IAM 7 2HK2 IAM 7 -1.467 9.719 -8.073
61 3HK2 IAM 7 3HK2 IAM 7 -1.174 8.148 -8.777
62 H THR 8 H THR 8 -1.836 5.819 0.184
63 HA THR 8 HA THR 8 -1.856 4.856 2.817
64 HB THR 8 HB THR 8 -4.212 6.227 2.222
65 HG1 THR 8 HG1 THR 8 -3.923 3.787 3.817
66 1HG2 THR 8 1HG2 THR 8 -4.845 3.246 2.122
67 2HG2 THR 8 2HG2 THR 8 -5.957 4.614 1.878
68 3HG2 THR 8 3HG2 THR 8 -4.747 4.218 0.635
69 H PHE 9 H PHE 9 -2.847 2.510 2.829
70 HA PHE 9 HA PHE 9 -1.403 0.922 1.285
71 2HB PHE 9 2HB PHE 9 -2.761 -0.167 2.893
72 HD1 PHE 9 HD1 PHE 9 -3.679 1.383 4.494
73 HD2 PHE 9 HD2 PHE 9 -5.749 0.548 0.886
74 HE1 PHE 9 HE1 PHE 9 -5.742 2.466 5.429
75 HE2 PHE 9 HE2 PHE 9 -7.813 1.631 1.819
76 HZ PHE 9 HZ PHE 9 -7.783 2.575 4.079
77 H LYS 10 H LYS 10 -1.011 1.068 -0.885
78 HA LYS 10 HA LYS 10 -3.259 0.642 -2.645
79 1HB LYS 10 1HB LYS 10 -1.863 3.254 -2.420
80 2HB LYS 10 2HB LYS 10 -2.105 2.654 -4.047
81 1HG LYS 10 1HG LYS 10 -4.359 3.011 -3.970
82 2HG LYS 10 2HG LYS 10 -4.507 2.288 -2.381
83 1HD LYS 10 1HD LYS 10 -5.017 4.470 -1.803
84 2HD LYS 10 2HD LYS 10 -3.278 4.561 -1.620
85 1HE LYS 10 1HE LYS 10 -4.331 5.075 -4.380
86 2HE LYS 10 2HE LYS 10 -4.720 6.286 -3.176
87 1HZ LYS 10 1HZ LYS 10 -2.213 5.793 -4.414
88 H SER 11 H SER 11 -2.242 -1.415 -2.936
89 HA SER 11 HA SER 11 -0.561 -1.534 -5.078
90 2HB SER 11 2HB SER 11 1.125 -2.447 -2.785
91 HG SER 11 HG SER 11 1.892 -0.798 -5.015
92 H CYS 12 H CYS 12 -0.386 -3.306 -1.902
93 HA CYS 12 HA CYS 12 -2.092 -5.370 -2.910
94 2HB CYS 12 2HB CYS 12 -0.512 -6.636 -3.815
Start of MODEL 4
1 1H TYR 1 1H TYR 1 5.463 -3.265 4.954
2 HA TYR 1 HA TYR 1 5.644 -4.346 2.910
3 2HB TYR 1 2HB TYR 1 2.762 -4.772 2.865
4 HD1 TYR 1 HD1 TYR 1 3.564 -6.408 5.776
5 HD2 TYR 1 HD2 TYR 1 4.623 -6.422 1.631
6 HE1 TYR 1 HE1 TYR 1 4.328 -8.826 5.972
7 HE2 TYR 1 HE2 TYR 1 5.385 -8.838 1.841
8 HH TYR 1 HH TYR 1 5.504 -10.426 4.977
9 H CYS 2 H CYS 2 3.540 -4.895 1.033
10 HA CYS 2 HA CYS 2 4.043 -3.061 -0.895
11 2HB CYS 2 2HB CYS 2 3.122 -5.037 -1.641
12 H LYS 3 H LYS 3 1.039 -3.278 1.162
13 HA LYS 3 HA LYS 3 -0.278 -1.091 0.327
14 2HB LYS 3 2HB LYS 3 -1.218 -0.961 2.621
15 2HG LYS 3 2HG LYS 3 -1.132 -3.855 2.469
16 2HD LYS 3 2HD LYS 3 -3.040 -1.906 2.791
17 2HE LYS 3 2HE LYS 3 -2.768 -1.807 0.082
18 1HZ LYS 3 1HZ LYS 3 -3.449 -3.959 -0.482
19 2HZ LYS 3 2HZ LYS 3 -4.578 -4.058 0.686
20 H PHE 4 H PHE 4 -0.512 1.127 1.336
21 HA PHE 4 HA PHE 4 0.322 3.099 1.860
22 2HB PHE 4 2HB PHE 4 2.792 1.729 3.020
23 HD1 PHE 4 HD1 PHE 4 4.094 3.268 4.115
24 HD2 PHE 4 HD2 PHE 4 -0.098 3.914 3.959
25 HE1 PHE 4 HE1 PHE 4 4.377 5.408 5.395
26 HE2 PHE 4 HE2 PHE 4 0.186 6.056 5.240
27 HZ PHE 4 HZ PHE 4 2.420 6.777 5.941
28 H GLU 5 H GLU 5 0.721 3.702 -0.328
29 HA GLU 5 HA GLU 5 3.500 3.336 -1.136
30 1HB GLU 5 1HB GLU 5 2.823 3.214 -3.371
31 2HB GLU 5 2HB GLU 5 1.495 2.412 -2.560
32 1HG GLU 5 1HG GLU 5 0.389 4.790 -2.459
33 2HG GLU 5 2HG GLU 5 1.583 5.246 -3.658
34 H DTR 6 H DTR 6 1.697 5.495 0.474
35 HA DTR 6 HA DTR 6 2.698 7.868 -1.001
36 1HB DTR 6 1HB DTR 6 3.628 8.721 0.953
37 2HB DTR 6 2HB DTR 6 2.787 7.578 1.984
38 HD1 DTR 6 HD1 DTR 6 4.522 5.912 2.983
39 HE1 DTR 6 HE1 DTR 6 6.692 4.612 2.231
40 HZ2 DTR 6 HZ2 DTR 6 8.197 4.537 -0.192
41 HH2 DTR 6 HH2 DTR 6 8.252 5.508 -2.520
42 HZ3 DTR 6 HZ3 DTR 6 6.533 7.100 -3.215
43 HE3 DTR 6 HE3 DTR 6 4.681 7.840 -1.719
44 H IAM 7 H IAM 7 0.158 7.424 -1.562
45 HA IAM 7 HA IAM 7 -1.314 9.359 -0.240
46 HB IAM 7 HB IAM 7 -1.996 8.717 -2.443
47 HD1 IAM 7 HD1 IAM 7 -4.028 9.901 -1.695
48 HE1 IAM 7 HE1 IAM 7 -6.499 9.691 -1.304
49 HE2 IAM 7 HE2 IAM 7 -6.059 5.503 -0.773
50 HD2 IAM 7 HD2 IAM 7 -3.589 5.715 -1.165
51 1HT IAM 7 1HT IAM 7 -8.338 8.425 -0.571
52 2HT IAM 7 2HT IAM 7 -8.104 6.806 0.054
53 HH IAM 7 HH IAM 7 -8.987 7.524 -2.687
54 HI IAM 7 HI IAM 7 -7.629 5.023 -2.040
55 1HB IAM 7 1HB IAM 7 -1.798 7.009 -2.105
56 1HK1 IAM 7 1HK1 IAM 7 -10.065 5.515 -3.764
57 2HK1 IAM 7 2HK1 IAM 7 -8.409 5.575 -4.322
58 3HK1 IAM 7 3HK1 IAM 7 -9.093 4.064 -3.773
59 1HK2 IAM 7 1HK2 IAM 7 -9.949 3.866 -1.586
60 2HK2 IAM 7 2HK2 IAM 7 -9.049 4.573 -0.268
61 3HK2 IAM 7 3HK2 IAM 7 -10.385 5.446 -0.981
62 H THR 8 H THR 8 -1.900 5.764 -0.194
63 HA THR 8 HA THR 8 -2.138 5.595 2.584
64 HB THR 8 HB THR 8 -4.322 6.950 1.437
65 HG1 THR 8 HG1 THR 8 -4.263 5.186 3.776
66 1HG2 THR 8 1HG2 THR 8 -5.291 4.221 2.365
67 2HG2 THR 8 2HG2 THR 8 -6.204 5.494 1.519
68 3HG2 THR 8 3HG2 THR 8 -5.002 4.525 0.635
69 H PHE 9 H PHE 9 -3.637 3.484 3.086
70 HA PHE 9 HA PHE 9 -2.265 1.367 2.145
71 2HB PHE 9 2HB PHE 9 -4.231 0.075 2.964
72 HD1 PHE 9 HD1 PHE 9 -2.528 0.178 4.801
73 HD2 PHE 9 HD2 PHE 9 -5.535 3.137 4.346
74 HE1 PHE 9 HE1 PHE 9 -2.152 0.923 7.169
75 HE2 PHE 9 HE2 PHE 9 -5.160 3.882 6.715
76 HZ PHE 9 HZ PHE 9 -3.473 2.766 8.097
77 H LYS 10 H LYS 10 -1.802 1.179 -0.052
78 HA LYS 10 HA LYS 10 -3.896 0.124 -1.664
79 1HB LYS 10 1HB LYS 10 -4.087 1.781 -3.321
80 2HB LYS 10 2HB LYS 10 -4.262 2.633 -1.800
81 1HG LYS 10 1HG LYS 10 -1.674 3.033 -1.961
82 2HG LYS 10 2HG LYS 10 -1.844 2.563 -3.640
83 1HD LYS 10 1HD LYS 10 -3.906 4.510 -2.840
84 2HD LYS 10 2HD LYS 10 -2.290 5.131 -2.568
85 1HE LYS 10 1HE LYS 10 -2.996 3.789 -5.203
86 2HE LYS 10 2HE LYS 10 -3.396 5.473 -4.928
87 1HZ LYS 10 1HZ LYS 10 -1.113 6.007 -4.663
88 H SER 11 H SER 11 -2.720 -1.688 -2.125
89 HA SER 11 HA SER 11 -0.666 -1.461 -3.983
90 2HB SER 11 2HB SER 11 0.405 -2.585 -1.388
91 HG SER 11 HG SER 11 1.497 -1.459 -3.806
92 H CYS 12 H CYS 12 0.575 -3.866 -3.949
93 HA CYS 12 HA CYS 12 0.162 -5.945 -4.581
94 2HB CYS 12 2HB CYS 12 0.530 -6.898 -2.611
Start of MODEL 5
1 1H TYR 1 1H TYR 1 1.295 -7.174 -4.593
2 HA TYR 1 HA TYR 1 0.185 -6.273 -2.763
3 2HB TYR 1 2HB TYR 1 1.149 -8.490 -1.120
4 HD1 TYR 1 HD1 TYR 1 -0.911 -8.339 0.064
5 HD2 TYR 1 HD2 TYR 1 -0.927 -8.937 -4.173
6 HE1 TYR 1 HE1 TYR 1 -3.403 -8.836 0.135
7 HE2 TYR 1 HE2 TYR 1 -3.419 -9.432 -4.087
8 HH TYR 1 HH TYR 1 -5.312 -8.887 -2.631
9 H CYS 2 H CYS 2 0.709 -4.518 -1.548
10 HA CYS 2 HA CYS 2 2.091 -4.799 0.828
11 2HB CYS 2 2HB CYS 2 4.220 -4.773 0.196
12 H LYS 3 H LYS 3 1.216 -3.167 2.075
13 HA LYS 3 HA LYS 3 -0.267 -1.109 0.729
14 2HB LYS 3 2HB LYS 3 -1.006 -0.522 3.002
15 2HG LYS 3 2HG LYS 3 -2.015 -2.768 3.586
16 2HD LYS 3 2HD LYS 3 -2.082 -2.407 0.573
17 2HE LYS 3 2HE LYS 3 -4.624 -2.610 1.211
18 1HZ LYS 3 1HZ LYS 3 -3.293 -5.127 1.794
19 2HZ LYS 3 2HZ LYS 3 -4.413 -4.796 0.657
20 H PHE 4 H PHE 4 -0.001 1.114 2.361
21 HA PHE 4 HA PHE 4 1.187 2.965 2.516
22 2HB PHE 4 2HB PHE 4 3.751 2.362 3.158
23 HD1 PHE 4 HD1 PHE 4 2.927 0.089 5.437
24 HD2 PHE 4 HD2 PHE 4 1.707 4.002 4.334
25 HE1 PHE 4 HE1 PHE 4 2.125 0.500 7.778
26 HE2 PHE 4 HE2 PHE 4 0.904 4.412 6.677
27 HZ PHE 4 HZ PHE 4 1.123 2.655 8.370
28 H GLU 5 H GLU 5 0.925 3.453 0.219
29 HA GLU 5 HA GLU 5 3.349 2.910 -1.306
30 1HB GLU 5 1HB GLU 5 0.764 3.905 -2.529
31 2HB GLU 5 2HB GLU 5 2.058 3.001 -3.290
32 1HG GLU 5 1HG GLU 5 1.453 1.079 -1.635
33 2HG GLU 5 2HG GLU 5 -0.014 1.980 -1.309
34 H DTR 6 H DTR 6 1.607 5.321 0.417
35 HA DTR 6 HA DTR 6 3.090 7.477 -0.992
36 1HB DTR 6 1HB DTR 6 3.832 8.231 0.988
37 2HB DTR 6 2HB DTR 6 2.382 7.759 1.853
38 HD1 DTR 6 HD1 DTR 6 2.958 5.964 3.647
39 HE1 DTR 6 HE1 DTR 6 4.597 3.921 3.961
40 HZ2 DTR 6 HZ2 DTR 6 6.606 2.741 2.314
41 HH2 DTR 6 HH2 DTR 6 7.704 2.975 0.055
42 HZ3 DTR 6 HZ3 DTR 6 6.996 4.756 -1.462
43 HE3 DTR 6 HE3 DTR 6 5.206 6.394 -0.893
44 H IAM 7 H IAM 7 0.394 6.557 -1.708
45 HA IAM 7 HA IAM 7 -1.041 8.972 -1.208
46 HB IAM 7 HB IAM 7 -1.232 7.914 -3.385
47 HD1 IAM 7 HD1 IAM 7 -3.104 9.428 -3.612
48 HE1 IAM 7 HE1 IAM 7 -5.594 9.662 -3.820
49 HE2 IAM 7 HE2 IAM 7 -6.102 5.864 -1.997
50 HD2 IAM 7 HD2 IAM 7 -3.612 5.631 -1.790
51 1HT IAM 7 1HT IAM 7 -7.738 8.761 -3.666
52 2HT IAM 7 2HT IAM 7 -7.939 8.064 -2.074
53 HH IAM 7 HH IAM 7 -8.979 6.328 -3.334
54 HI IAM 7 HI IAM 7 -6.331 5.759 -4.361
55 1HB IAM 7 1HB IAM 7 -1.440 6.324 -2.681
56 1HK1 IAM 7 1HK1 IAM 7 -8.215 7.086 -6.322
57 2HK1 IAM 7 2HK1 IAM 7 -6.736 7.793 -5.710
58 3HK1 IAM 7 3HK1 IAM 7 -6.671 6.368 -6.723
59 1HK2 IAM 7 1HK2 IAM 7 -7.294 3.896 -5.224
60 2HK2 IAM 7 2HK2 IAM 7 -8.677 4.376 -4.273
61 3HK2 IAM 7 3HK2 IAM 7 -8.596 4.795 -5.966
62 H THR 8 H THR 8 -1.637 5.452 -0.511
63 HA THR 8 HA THR 8 -2.621 5.933 2.064
64 HB THR 8 HB THR 8 -4.455 6.706 0.067
65 HG1 THR 8 HG1 THR 8 -4.947 5.612 2.744
66 1HG2 THR 8 1HG2 THR 8 -4.767 4.071 -0.145
67 2HG2 THR 8 2HG2 THR 8 -5.570 4.238 1.436
68 3HG2 THR 8 3HG2 THR 8 -6.204 5.109 0.019
69 H PHE 9 H PHE 9 -4.128 3.847 2.684
70 HA PHE 9 HA PHE 9 -2.346 1.697 2.350
71 2HB PHE 9 2HB PHE 9 -5.218 1.228 3.121
72 HD1 PHE 9 HD1 PHE 9 -4.830 -1.041 3.609
73 HD2 PHE 9 HD2 PHE 9 -2.279 1.913 5.274
74 HE1 PHE 9 HE1 PHE 9 -3.788 -2.778 5.091
75 HE2 PHE 9 HE2 PHE 9 -1.236 0.176 6.757
76 HZ PHE 9 HZ PHE 9 -2.004 -2.148 6.649
77 H LYS 10 H LYS 10 -2.109 1.206 0.112
78 HA LYS 10 HA LYS 10 -4.394 -0.262 -0.951
79 1HB LYS 10 1HB LYS 10 -4.362 0.806 -3.051
80 2HB LYS 10 2HB LYS 10 -4.379 2.099 -1.868
81 1HG LYS 10 1HG LYS 10 -1.860 2.264 -2.074
82 2HG LYS 10 2HG LYS 10 -1.911 1.042 -3.330
83 1HD LYS 10 1HD LYS 10 -3.489 2.542 -4.642
84 2HD LYS 10 2HD LYS 10 -3.266 3.779 -3.422
85 1HE LYS 10 1HE LYS 10 -1.750 3.814 -5.580
86 2HE LYS 10 2HE LYS 10 -1.030 4.181 -4.026
87 1HZ LYS 10 1HZ LYS 10 0.367 2.488 -4.460
88 H SER 11 H SER 11 -3.793 -1.962 -2.429
89 HA SER 11 HA SER 11 -1.320 -3.089 -1.730
90 2HB SER 11 2HB SER 11 -3.082 -4.619 -2.159
91 HG SER 11 HG SER 11 -4.574 -3.557 -3.408
92 H CYS 12 H CYS 12 0.642 -3.143 -2.856
93 HA CYS 12 HA CYS 12 1.369 -1.159 -4.500
94 2HB CYS 12 2HB CYS 12 3.188 -2.693 -5.317
Start of MODEL 6
1 1H TYR 1 1H TYR 1 0.226 -6.238 -1.644
2 HA TYR 1 HA TYR 1 1.119 -6.883 1.086
3 2HB TYR 1 2HB TYR 1 3.179 -6.943 -0.987
4 HD1 TYR 1 HD1 TYR 1 3.358 -7.601 1.805
5 HD2 TYR 1 HD2 TYR 1 2.124 -10.094 -1.445
6 HE1 TYR 1 HE1 TYR 1 4.051 -9.665 3.117
7 HE2 TYR 1 HE2 TYR 1 2.820 -12.150 -0.122
8 HH TYR 1 HH TYR 1 3.275 -12.869 1.977
9 H CYS 2 H CYS 2 1.625 -4.814 -1.832
10 HA CYS 2 HA CYS 2 3.681 -3.284 -0.991
11 2HB CYS 2 2HB CYS 2 2.119 -1.407 -2.198
12 H LYS 3 H LYS 3 0.420 -1.756 -0.911
13 HA LYS 3 HA LYS 3 -0.556 -0.437 0.565
14 2HB LYS 3 2HB LYS 3 -0.308 -1.162 3.029
15 2HG LYS 3 2HG LYS 3 -1.634 -2.395 0.739
16 2HD LYS 3 2HD LYS 3 -0.177 -4.335 1.887
17 2HE LYS 3 2HE LYS 3 -2.262 -3.624 3.893
18 1HZ LYS 3 1HZ LYS 3 -1.722 -6.475 3.267
19 2HZ LYS 3 2HZ LYS 3 -2.702 -5.912 4.439
20 H PHE 4 H PHE 4 -0.193 1.243 2.343
21 HA PHE 4 HA PHE 4 0.902 3.137 2.764
22 2HB PHE 4 2HB PHE 4 1.685 1.816 4.634
23 HD1 PHE 4 HD1 PHE 4 1.211 -0.575 4.186
24 HD2 PHE 4 HD2 PHE 4 4.871 1.223 3.012
25 HE1 PHE 4 HE1 PHE 4 2.241 -2.848 3.919
26 HE2 PHE 4 HE2 PHE 4 5.903 -1.049 2.743
27 HZ PHE 4 HZ PHE 4 4.576 -3.058 3.200
28 H GLU 5 H GLU 5 1.073 3.622 0.371
29 HA GLU 5 HA GLU 5 3.826 3.364 -0.535
30 1HB GLU 5 1HB GLU 5 1.556 4.288 -2.306
31 2HB GLU 5 2HB GLU 5 3.036 3.462 -2.756
32 1HG GLU 5 1HG GLU 5 2.052 1.507 -1.224
33 2HG GLU 5 2HG GLU 5 0.526 2.313 -1.518
34 H DTR 6 H DTR 6 1.552 5.556 0.826
35 HA DTR 6 HA DTR 6 3.136 7.886 -0.121
36 1HB DTR 6 1HB DTR 6 3.414 8.558 2.002
37 2HB DTR 6 2HB DTR 6 1.860 7.944 2.530
38 HD1 DTR 6 HD1 DTR 6 2.201 6.085 4.321
39 HE1 DTR 6 HE1 DTR 6 3.892 4.133 4.863
40 HZ2 DTR 6 HZ2 DTR 6 6.267 3.181 3.598
41 HH2 DTR 6 HH2 DTR 6 7.768 3.619 1.618
42 HZ3 DTR 6 HZ3 DTR 6 7.245 5.440 0.074
43 HE3 DTR 6 HE3 DTR 6 5.262 6.925 0.348
44 H IAM 7 H IAM 7 0.681 6.778 -1.362
45 HA IAM 7 HA IAM 7 -0.988 9.079 -1.098
46 HB IAM 7 HB IAM 7 -0.804 8.153 -3.298
47 HD1 IAM 7 HD1 IAM 7 -2.873 5.321 -2.338
48 HE1 IAM 7 HE1 IAM 7 -5.313 5.127 -2.895
49 HE2 IAM 7 HE2 IAM 7 -5.355 9.186 -4.130
50 HD2 IAM 7 HD2 IAM 7 -2.915 9.381 -3.571
51 1HT IAM 7 1HT IAM 7 -7.427 7.984 -3.778
52 2HT IAM 7 2HT IAM 7 -7.425 6.326 -3.221
53 HH IAM 7 HH IAM 7 -7.599 7.143 -5.971
54 HI IAM 7 HI IAM 7 -5.898 4.887 -4.918
55 1HB IAM 7 1HB IAM 7 -0.808 6.505 -2.704
56 1HK1 IAM 7 1HK1 IAM 7 -6.454 5.730 -7.768
57 2HK1 IAM 7 2HK1 IAM 7 -4.996 6.099 -6.877
58 3HK1 IAM 7 3HK1 IAM 7 -5.375 4.442 -7.282
59 1HK2 IAM 7 1HK2 IAM 7 -7.403 3.481 -6.575
60 2HK2 IAM 7 2HK2 IAM 7 -7.906 3.747 -4.922
61 3HK2 IAM 7 3HK2 IAM 7 -8.577 4.723 -6.207
62 H THR 8 H THR 8 -1.492 5.503 -0.633
63 HA THR 8 HA THR 8 -3.000 5.886 1.725
64 HB THR 8 HB THR 8 -4.468 6.570 -0.496
65 HG1 THR 8 HG1 THR 8 -5.411 4.942 1.750
66 1HG2 THR 8 1HG2 THR 8 -5.139 3.651 0.141
67 2HG2 THR 8 2HG2 THR 8 -5.999 4.718 -0.995
68 3HG2 THR 8 3HG2 THR 8 -4.344 4.176 -1.364
69 H PHE 9 H PHE 9 -4.026 3.762 2.446
70 HA PHE 9 HA PHE 9 -2.060 1.777 2.206
71 2HB PHE 9 2HB PHE 9 -3.582 0.582 3.707
72 HD1 PHE 9 HD1 PHE 9 -1.757 2.269 4.751
73 HD2 PHE 9 HD2 PHE 9 -5.908 3.061 4.369
74 HE1 PHE 9 HE1 PHE 9 -1.605 3.960 6.601
75 HE2 PHE 9 HE2 PHE 9 -5.756 4.753 6.217
76 HZ PHE 9 HZ PHE 9 -3.606 5.182 7.312
77 H LYS 10 H LYS 10 -2.006 1.630 -0.231
78 HA LYS 10 HA LYS 10 -4.181 -0.093 -1.196
79 1HB LYS 10 1HB LYS 10 -3.957 0.822 -3.318
80 2HB LYS 10 2HB LYS 10 -3.760 2.213 -2.271
81 1HG LYS 10 1HG LYS 10 -1.201 1.723 -2.389
82 2HG LYS 10 2HG LYS 10 -1.586 0.649 -3.722
83 1HD LYS 10 1HD LYS 10 -2.680 2.536 -4.936
84 2HD LYS 10 2HD LYS 10 -2.327 3.613 -3.599
85 1HE LYS 10 1HE LYS 10 -0.685 3.312 -5.769
86 2HE LYS 10 2HE LYS 10 -0.122 3.847 -4.200
87 1HZ LYS 10 1HZ LYS 10 -0.031 1.188 -3.887
88 H SER 11 H SER 11 -3.701 -2.187 -1.598
89 HA SER 11 HA SER 11 -1.035 -3.033 -1.144
90 2HB SER 11 2HB SER 11 -2.865 -4.424 -0.359
91 HG SER 11 HG SER 11 -4.599 -4.202 -1.679
92 H CYS 12 H CYS 12 -0.051 -4.740 -2.780
93 HA CYS 12 HA CYS 12 -0.065 -3.420 -5.365
94 2HB CYS 12 2HB CYS 12 1.841 -5.449 -5.417
Start of MODEL 7
1 1H TYR 1 1H TYR 1 0.839 -6.081 1.827
2 HA TYR 1 HA TYR 1 3.534 -6.987 2.571
3 2HB TYR 1 2HB TYR 1 3.372 -6.290 -0.180
4 HD1 TYR 1 HD1 TYR 1 2.242 -9.120 2.016
5 HD2 TYR 1 HD2 TYR 1 4.550 -7.901 -1.375
6 HE1 TYR 1 HE1 TYR 1 3.133 -11.487 1.760
7 HE2 TYR 1 HE2 TYR 1 5.433 -10.273 -1.618
8 HH TYR 1 HH TYR 1 4.971 -12.626 0.831
9 H CYS 2 H CYS 2 1.980 -4.442 0.481
10 HA CYS 2 HA CYS 2 4.184 -2.690 1.212
11 2HB CYS 2 2HB CYS 2 3.976 -2.682 -1.086
12 H LYS 3 H LYS 3 0.558 -2.615 0.818
13 HA LYS 3 HA LYS 3 -0.951 -1.229 1.707
14 2HB LYS 3 2HB LYS 3 -0.803 -1.327 4.318
15 2HG LYS 3 2HG LYS 3 -2.283 -2.745 2.869
16 2HD LYS 3 2HD LYS 3 -0.989 -5.211 2.809
17 2HE LYS 3 2HE LYS 3 -0.515 -4.150 0.270
18 1HZ LYS 3 1HZ LYS 3 -1.846 -6.089 0.631
19 2HZ LYS 3 2HZ LYS 3 -2.984 -5.278 1.467
20 H PHE 4 H PHE 4 1.010 0.313 0.549
21 HA PHE 4 HA PHE 4 0.637 2.765 1.603
22 2HB PHE 4 2HB PHE 4 3.395 2.517 2.416
23 HD1 PHE 4 HD1 PHE 4 1.990 4.813 2.707
24 HD2 PHE 4 HD2 PHE 4 1.730 1.417 5.237
25 HE1 PHE 4 HE1 PHE 4 1.147 6.266 4.571
26 HE2 PHE 4 HE2 PHE 4 0.885 2.869 7.101
27 HZ PHE 4 HZ PHE 4 0.604 5.277 6.746
28 H GLU 5 H GLU 5 0.668 3.397 -0.560
29 HA GLU 5 HA GLU 5 3.257 3.077 -1.868
30 1HB GLU 5 1HB GLU 5 2.183 2.844 -3.952
31 2HB GLU 5 2HB GLU 5 1.146 1.936 -2.872
32 1HG GLU 5 1HG GLU 5 -0.359 3.921 -2.643
33 2HG GLU 5 2HG GLU 5 0.680 4.835 -3.718
34 H DTR 6 H DTR 6 1.879 5.224 0.003
35 HA DTR 6 HA DTR 6 2.242 7.560 -1.790
36 1HB DTR 6 1HB DTR 6 3.770 8.495 -0.383
37 2HB DTR 6 2HB DTR 6 3.211 7.607 1.020
38 HD1 DTR 6 HD1 DTR 6 4.982 5.867 1.801
39 HE1 DTR 6 HE1 DTR 6 6.869 4.346 0.757
40 HZ2 DTR 6 HZ2 DTR 6 7.800 3.920 -1.906
41 HH2 DTR 6 HH2 DTR 6 7.390 4.643 -4.288
42 HZ3 DTR 6 HZ3 DTR 6 5.636 6.274 -4.779
43 HE3 DTR 6 HE3 DTR 6 4.195 7.291 -3.017
44 H IAM 7 H IAM 7 -0.289 7.187 -1.621
45 HA IAM 7 HA IAM 7 -1.312 8.984 0.273
46 HB IAM 7 HB IAM 7 -2.402 8.640 -1.883
47 HD1 IAM 7 HD1 IAM 7 -3.821 9.974 -0.109
48 HE1 IAM 7 HE1 IAM 7 -6.165 10.088 0.786
49 HE2 IAM 7 HE2 IAM 7 -6.708 5.976 -0.113
50 HD2 IAM 7 HD2 IAM 7 -4.365 5.863 -1.008
51 1HT IAM 7 1HT IAM 7 -8.200 9.101 1.281
52 2HT IAM 7 2HT IAM 7 -8.105 7.417 1.744
53 HH IAM 7 HH IAM 7 -9.301 8.488 -0.778
54 HI IAM 7 HI IAM 7 -8.676 5.698 0.127
55 1HB IAM 7 1HB IAM 7 -2.410 6.899 -1.683
56 1HK1 IAM 7 1HK1 IAM 7 -10.293 6.686 -2.231
57 2HK1 IAM 7 2HK1 IAM 7 -8.620 6.186 -2.299
58 3HK1 IAM 7 3HK1 IAM 7 -9.866 5.020 -1.921
59 1HK2 IAM 7 1HK2 IAM 7 -10.592 6.143 1.470
60 2HK2 IAM 7 2HK2 IAM 7 -11.418 6.934 0.150
61 3HK2 IAM 7 3HK2 IAM 7 -11.167 5.206 0.112
62 H THR 8 H THR 8 -1.896 5.409 -0.116
63 HA THR 8 HA THR 8 -1.586 4.847 2.605
64 HB THR 8 HB THR 8 -3.984 6.224 2.086
65 HG1 THR 8 HG1 THR 8 -3.035 4.268 4.046
66 1HG2 THR 8 1HG2 THR 8 -4.736 3.382 2.820
67 2HG2 THR 8 2HG2 THR 8 -5.776 4.694 2.219
68 3HG2 THR 8 3HG2 THR 8 -4.687 3.840 1.099
69 H PHE 9 H PHE 9 -2.971 2.615 3.045
70 HA PHE 9 HA PHE 9 -1.719 0.731 1.538
71 2HB PHE 9 2HB PHE 9 -4.232 0.936 3.231
72 HD1 PHE 9 HD1 PHE 9 -2.720 -1.348 0.774
73 HD2 PHE 9 HD2 PHE 9 -5.724 -0.870 3.733
74 HE1 PHE 9 HE1 PHE 9 -3.839 -3.449 -0.023
75 HE2 PHE 9 HE2 PHE 9 -6.844 -2.971 2.936
76 HZ PHE 9 HZ PHE 9 -5.887 -4.235 1.068
77 H LYS 10 H LYS 10 -1.789 1.125 -0.725
78 HA LYS 10 HA LYS 10 -4.006 -0.046 -2.031
79 1HB LYS 10 1HB LYS 10 -4.591 2.009 -3.390
80 2HB LYS 10 2HB LYS 10 -5.183 1.974 -1.744
81 1HG LYS 10 1HG LYS 10 -3.822 3.709 -1.063
82 2HG LYS 10 2HG LYS 10 -2.482 3.196 -2.069
83 1HD LYS 10 1HD LYS 10 -5.013 4.500 -3.170
84 2HD LYS 10 2HD LYS 10 -3.558 5.392 -2.776
85 1HE LYS 10 1HE LYS 10 -3.299 2.992 -4.590
86 2HE LYS 10 2HE LYS 10 -3.997 4.455 -5.255
87 1HZ LYS 10 1HZ LYS 10 -1.657 4.599 -5.573
88 H SER 11 H SER 11 -2.250 -1.394 -2.718
89 HA SER 11 HA SER 11 -1.119 -0.494 -5.116
90 2HB SER 11 2HB SER 11 1.236 -1.251 -3.636
91 HG SER 11 HG SER 11 1.998 0.322 -4.866
92 H CYS 12 H CYS 12 -0.799 -2.767 -2.313
93 HA CYS 12 HA CYS 12 -1.281 -4.964 -4.093
94 2HB CYS 12 2HB CYS 12 1.136 -4.701 -4.339
Start of MODEL 8
1 1H TYR 1 1H TYR 1 2.114 -7.618 -2.070
2 HA TYR 1 HA TYR 1 0.230 -6.185 -1.321
3 2HB TYR 1 2HB TYR 1 -0.435 -7.757 0.500
4 HD1 TYR 1 HD1 TYR 1 0.992 -9.727 0.799
5 HD2 TYR 1 HD2 TYR 1 2.026 -5.968 2.562
6 HE1 TYR 1 HE1 TYR 1 2.680 -10.888 2.304
7 HE2 TYR 1 HE2 TYR 1 3.710 -7.143 4.060
8 HH TYR 1 HH TYR 1 4.201 -10.655 3.812
9 H CYS 2 H CYS 2 0.899 -4.079 -1.196
10 HA CYS 2 HA CYS 2 3.687 -3.699 -0.447
11 2HB CYS 2 2HB CYS 2 3.334 -1.442 -1.553
12 H LYS 3 H LYS 3 0.491 -1.961 -0.181
13 HA LYS 3 HA LYS 3 -0.409 -0.764 1.441
14 2HB LYS 3 2HB LYS 3 0.447 -3.069 2.660
15 2HG LYS 3 2HG LYS 3 2.403 -1.498 3.530
16 2HD LYS 3 2HD LYS 3 0.522 0.195 4.303
17 2HE LYS 3 2HE LYS 3 -0.053 -2.102 5.950
18 1HZ LYS 3 1HZ LYS 3 0.048 -0.233 7.958
19 2HZ LYS 3 2HZ LYS 3 1.005 -1.545 7.842
20 H PHE 4 H PHE 4 -0.141 1.292 2.312
21 HA PHE 4 HA PHE 4 0.859 3.228 2.649
22 2HB PHE 4 2HB PHE 4 3.407 2.674 3.640
23 HD1 PHE 4 HD1 PHE 4 3.670 2.947 6.045
24 HD2 PHE 4 HD2 PHE 4 -0.180 2.516 4.313
25 HE1 PHE 4 HE1 PHE 4 2.621 3.770 8.172
26 HE2 PHE 4 HE2 PHE 4 -1.229 3.338 6.441
27 HZ PHE 4 HZ PHE 4 0.183 3.956 8.343
28 H GLU 5 H GLU 5 0.972 3.698 0.347
29 HA GLU 5 HA GLU 5 3.632 3.281 -0.758
30 1HB GLU 5 1HB GLU 5 1.268 4.208 -2.398
31 2HB GLU 5 2HB GLU 5 2.678 3.306 -2.916
32 1HG GLU 5 1HG GLU 5 1.830 1.389 -1.387
33 2HG GLU 5 2HG GLU 5 0.327 2.283 -1.272
34 H DTR 6 H DTR 6 1.571 5.608 0.692
35 HA DTR 6 HA DTR 6 3.120 7.840 -0.517
36 1HB DTR 6 1HB DTR 6 3.658 8.586 1.530
37 2HB DTR 6 2HB DTR 6 2.157 8.047 2.256
38 HD1 DTR 6 HD1 DTR 6 2.627 6.232 4.062
39 HE1 DTR 6 HE1 DTR 6 4.314 4.251 4.499
40 HZ2 DTR 6 HZ2 DTR 6 6.519 3.187 3.032
41 HH2 DTR 6 HH2 DTR 6 7.818 3.516 0.896
42 HZ3 DTR 6 HZ3 DTR 6 7.184 5.297 -0.653
43 HE3 DTR 6 HE3 DTR 6 5.279 6.849 -0.230
44 H IAM 7 H IAM 7 0.506 6.772 -1.425
45 HA IAM 7 HA IAM 7 -1.072 9.132 -0.977
46 HB IAM 7 HB IAM 7 -1.077 8.305 -3.223
47 HD1 IAM 7 HD1 IAM 7 -3.068 5.412 -2.485
48 HE1 IAM 7 HE1 IAM 7 -5.549 5.272 -2.848
49 HE2 IAM 7 HE2 IAM 7 -5.705 9.481 -3.373
50 HD2 IAM 7 HD2 IAM 7 -3.226 9.618 -3.008
51 1HT IAM 7 1HT IAM 7 -7.706 8.263 -3.287
52 2HT IAM 7 2HT IAM 7 -7.716 6.652 -2.607
53 HH IAM 7 HH IAM 7 -7.665 7.342 -5.503
54 HI IAM 7 HI IAM 7 -6.839 4.773 -4.367
55 1HB IAM 7 1HB IAM 7 -1.061 6.632 -2.705
56 1HK1 IAM 7 1HK1 IAM 7 -8.426 5.375 -6.871
57 2HK1 IAM 7 2HK1 IAM 7 -6.684 5.269 -6.787
58 3HK1 IAM 7 3HK1 IAM 7 -7.661 3.848 -6.498
59 1HK2 IAM 7 1HK2 IAM 7 -9.169 3.748 -4.632
60 2HK2 IAM 7 2HK2 IAM 7 -8.900 4.718 -3.203
61 3HK2 IAM 7 3HK2 IAM 7 -9.776 5.385 -4.560
62 H THR 8 H THR 8 -1.616 5.545 -0.660
63 HA THR 8 HA THR 8 -2.899 5.823 1.841
64 HB THR 8 HB THR 8 -4.537 6.661 -0.204
65 HG1 THR 8 HG1 THR 8 -5.321 4.941 2.033
66 1HG2 THR 8 1HG2 THR 8 -4.522 4.265 -1.154
67 2HG2 THR 8 2HG2 THR 8 -5.297 3.755 0.365
68 3HG2 THR 8 3HG2 THR 8 -6.129 4.896 -0.719
69 H PHE 9 H PHE 9 -3.919 3.681 2.527
70 HA PHE 9 HA PHE 9 -2.036 1.681 2.088
71 2HB PHE 9 2HB PHE 9 -4.851 1.937 3.239
72 HD1 PHE 9 HD1 PHE 9 -2.179 -0.633 3.650
73 HD2 PHE 9 HD2 PHE 9 -6.273 0.149 2.853
74 HE1 PHE 9 HE1 PHE 9 -2.661 -3.095 3.711
75 HE2 PHE 9 HE2 PHE 9 -6.755 -2.313 2.914
76 HZ PHE 9 HZ PHE 9 -4.944 -3.906 3.342
77 H LYS 10 H LYS 10 -1.918 1.564 -0.301
78 HA LYS 10 HA LYS 10 -4.156 0.002 -1.393
79 1HB LYS 10 1HB LYS 10 -3.621 0.923 -3.571
80 2HB LYS 10 2HB LYS 10 -3.937 2.216 -2.432
81 1HG LYS 10 1HG LYS 10 -1.479 2.527 -2.094
82 2HG LYS 10 2HG LYS 10 -1.156 1.222 -3.219
83 1HD LYS 10 1HD LYS 10 -2.737 2.715 -4.826
84 2HD LYS 10 2HD LYS 10 -2.183 3.999 -3.772
85 1HE LYS 10 1HE LYS 10 -0.467 2.136 -5.468
86 2HE LYS 10 2HE LYS 10 -0.631 3.872 -5.634
87 1HZ LYS 10 1HZ LYS 10 0.966 4.159 -4.095
88 H SER 11 H SER 11 -3.713 -2.099 -1.769
89 HA SER 11 HA SER 11 -1.049 -2.993 -1.444
90 2HB SER 11 2HB SER 11 -2.928 -4.338 -0.629
91 HG SER 11 HG SER 11 -4.512 -3.816 -2.252
92 H CYS 12 H CYS 12 -0.103 -4.631 -3.136
93 HA CYS 12 HA CYS 12 -0.377 -3.356 -5.747
94 2HB CYS 12 2HB CYS 12 1.807 -4.564 -6.209
Start of MODEL 9
1 1H TYR 1 1H TYR 1 6.024 -2.499 1.083
2 HA TYR 1 HA TYR 1 5.381 -0.007 -0.318
3 2HB TYR 1 2HB TYR 1 7.262 -1.438 -1.146
4 HD1 TYR 1 HD1 TYR 1 7.929 -3.402 0.092
5 HD2 TYR 1 HD2 TYR 1 4.518 -3.520 -2.489
6 HE1 TYR 1 HE1 TYR 1 7.896 -5.941 0.239
7 HE2 TYR 1 HE2 TYR 1 4.496 -6.057 -2.332
8 HH TYR 1 HH TYR 1 5.285 -7.762 -0.643
9 H CYS 2 H CYS 2 4.241 -3.385 0.256
10 HA CYS 2 HA CYS 2 2.140 -3.501 -1.426
11 2HB CYS 2 2HB CYS 2 1.276 -4.538 1.100
12 H LYS 3 H LYS 3 2.424 -1.771 1.723
13 HA LYS 3 HA LYS 3 -0.061 -0.371 1.039
14 2HB LYS 3 2HB LYS 3 -0.226 -2.182 2.898
15 2HG LYS 3 2HG LYS 3 0.258 -1.121 5.166
16 2HD LYS 3 2HD LYS 3 1.976 -2.568 3.445
17 2HE LYS 3 2HE LYS 3 3.169 0.017 4.248
18 1HZ LYS 3 1HZ LYS 3 4.015 -2.053 5.775
19 2HZ LYS 3 2HZ LYS 3 5.084 -2.118 4.549
20 H PHE 4 H PHE 4 -0.189 1.830 1.990
21 HA PHE 4 HA PHE 4 0.662 3.840 2.289
22 2HB PHE 4 2HB PHE 4 2.999 2.335 3.605
23 HD1 PHE 4 HD1 PHE 4 0.620 5.019 4.624
24 HD2 PHE 4 HD2 PHE 4 4.660 3.912 3.946
25 HE1 PHE 4 HE1 PHE 4 1.379 7.236 5.524
26 HE2 PHE 4 HE2 PHE 4 5.418 6.129 4.846
27 HZ PHE 4 HZ PHE 4 3.769 7.765 5.623
28 H GLU 5 H GLU 5 1.052 4.141 -0.004
29 HA GLU 5 HA GLU 5 3.885 3.907 -0.662
30 1HB GLU 5 1HB GLU 5 3.333 3.421 -2.902
31 2HB GLU 5 2HB GLU 5 2.129 2.528 -1.994
32 1HG GLU 5 1HG GLU 5 0.530 4.465 -2.279
33 2HG GLU 5 2HG GLU 5 1.728 5.277 -3.266
34 H DTR 6 H DTR 6 1.867 6.087 0.558
35 HA DTR 6 HA DTR 6 2.535 8.283 -1.312
36 1HB DTR 6 1HB DTR 6 3.515 9.534 0.399
37 2HB DTR 6 2HB DTR 6 2.931 8.465 1.660
38 HD1 DTR 6 HD1 DTR 6 4.886 7.057 2.646
39 HE1 DTR 6 HE1 DTR 6 7.146 5.960 1.846
40 HZ2 DTR 6 HZ2 DTR 6 8.496 5.844 -0.668
41 HH2 DTR 6 HH2 DTR 6 8.283 6.601 -3.063
42 HZ3 DTR 6 HZ3 DTR 6 6.339 7.908 -3.760
43 HE3 DTR 6 HE3 DTR 6 4.507 8.556 -2.198
44 H IAM 7 H IAM 7 -0.001 6.859 -0.940
45 HA IAM 7 HA IAM 7 -1.522 8.992 0.351
46 HB IAM 7 HB IAM 7 -2.260 8.630 -1.897
47 HD1 IAM 7 HD1 IAM 7 -3.898 8.726 0.693
48 HE1 IAM 7 HE1 IAM 7 -6.322 8.239 1.132
49 HE2 IAM 7 HE2 IAM 7 -6.397 5.616 -2.206
50 HD2 IAM 7 HD2 IAM 7 -3.976 6.107 -2.645
51 1HT IAM 7 1HT IAM 7 -8.489 7.516 -0.034
52 2HT IAM 7 2HT IAM 7 -8.061 5.941 0.596
53 HH IAM 7 HH IAM 7 -9.075 6.530 -2.129
54 HI IAM 7 HI IAM 7 -7.527 4.159 -1.191
55 1HB IAM 7 1HB IAM 7 -1.901 6.916 -1.836
56 1HK1 IAM 7 1HK1 IAM 7 -9.348 4.508 -3.580
57 2HK1 IAM 7 2HK1 IAM 7 -7.611 4.691 -3.605
58 3HK1 IAM 7 3HK1 IAM 7 -8.319 3.127 -3.282
59 1HK2 IAM 7 1HK2 IAM 7 -9.997 3.019 -1.625
60 2HK2 IAM 7 2HK2 IAM 7 -9.281 3.302 -0.058
61 3HK2 IAM 7 3HK2 IAM 7 -10.392 4.468 -0.734
62 H THR 8 H THR 8 -1.851 5.397 -0.139
63 HA THR 8 HA THR 8 -1.942 4.801 2.594
64 HB THR 8 HB THR 8 -4.278 6.112 1.719
65 HG1 THR 8 HG1 THR 8 -3.602 4.157 3.798
66 1HG2 THR 8 1HG2 THR 8 -4.803 3.786 0.601
67 2HG2 THR 8 2HG2 THR 8 -4.960 3.197 2.273
68 3HG2 THR 8 3HG2 THR 8 -6.029 4.491 1.681
69 H PHE 9 H PHE 9 -3.207 2.515 2.834
70 HA PHE 9 HA PHE 9 -1.717 0.698 1.508
71 2HB PHE 9 2HB PHE 9 -3.502 -0.884 2.239
72 HD1 PHE 9 HD1 PHE 9 -1.472 1.372 3.522
73 HD2 PHE 9 HD2 PHE 9 -5.146 -0.461 4.591
74 HE1 PHE 9 HE1 PHE 9 -0.976 1.790 5.948
75 HE2 PHE 9 HE2 PHE 9 -4.650 -0.042 7.016
76 HZ PHE 9 HZ PHE 9 -2.571 1.080 7.665
77 H LYS 10 H LYS 10 -1.403 0.676 -0.694
78 HA LYS 10 HA LYS 10 -3.606 -0.169 -2.302
79 1HB LYS 10 1HB LYS 10 -3.681 1.675 -3.835
80 2HB LYS 10 2HB LYS 10 -3.994 2.282 -2.222
81 1HG LYS 10 1HG LYS 10 -1.441 2.793 -2.103
82 2HG LYS 10 2HG LYS 10 -1.422 2.520 -3.834
83 1HD LYS 10 1HD LYS 10 -3.614 4.227 -3.510
84 2HD LYS 10 2HD LYS 10 -2.488 4.820 -2.306
85 1HE LYS 10 1HE LYS 10 -2.427 5.435 -5.031
86 2HE LYS 10 2HE LYS 10 -1.130 5.726 -3.891
87 1HZ LYS 10 1HZ LYS 10 -1.432 3.158 -5.351
88 H SER 11 H SER 11 -2.580 -1.925 -3.126
89 HA SER 11 HA SER 11 -0.615 -1.596 -5.019
90 2HB SER 11 2HB SER 11 0.572 -2.894 -2.547
91 HG SER 11 HG SER 11 2.436 -1.684 -3.952
92 H CYS 12 H CYS 12 -1.020 -4.015 -2.322
93 HA CYS 12 HA CYS 12 -1.592 -6.005 -4.377
94 2HB CYS 12 2HB CYS 12 0.164 -6.795 -3.098
Start of MODEL 10
1 1H TYR 1 1H TYR 1 -0.267 -8.598 -2.090
2 HA TYR 1 HA TYR 1 -0.590 -6.261 -1.116
3 2HB TYR 1 2HB TYR 1 -1.417 -8.498 -0.173
4 HD1 TYR 1 HD1 TYR 1 0.398 -7.928 2.829
5 HD2 TYR 1 HD2 TYR 1 0.488 -10.184 -0.806
6 HE1 TYR 1 HE1 TYR 1 1.983 -9.603 3.898
7 HE2 TYR 1 HE2 TYR 1 2.073 -11.850 0.277
8 HH TYR 1 HH TYR 1 2.622 -11.901 3.628
9 H CYS 2 H CYS 2 0.467 -4.536 -0.249
10 HA CYS 2 HA CYS 2 2.933 -5.060 1.196
11 2HB CYS 2 2HB CYS 2 4.313 -3.772 -0.083
12 H LYS 3 H LYS 3 0.607 -2.571 -0.079
13 HA LYS 3 HA LYS 3 -0.591 -1.040 0.999
14 2HB LYS 3 2HB LYS 3 -0.891 -1.051 3.363
15 2HG LYS 3 2HG LYS 3 -0.994 -3.627 3.814
16 2HD LYS 3 2HD LYS 3 -2.696 -1.899 2.482
17 2HE LYS 3 2HE LYS 3 -1.773 -2.701 0.272
18 1HZ LYS 3 1HZ LYS 3 -2.672 -5.059 -0.238
19 2HZ LYS 3 2HZ LYS 3 -1.270 -4.947 0.583
20 H PHE 4 H PHE 4 -0.293 1.166 1.814
21 HA PHE 4 HA PHE 4 0.820 3.062 1.968
22 2HB PHE 4 2HB PHE 4 2.946 2.998 3.231
23 HD1 PHE 4 HD1 PHE 4 0.812 3.389 4.678
24 HD2 PHE 4 HD2 PHE 4 2.651 -0.399 4.148
25 HE1 PHE 4 HE1 PHE 4 -0.291 2.561 6.775
26 HE2 PHE 4 HE2 PHE 4 1.547 -1.228 6.244
27 HZ PHE 4 HZ PHE 4 0.090 0.261 7.533
28 H GLU 5 H GLU 5 0.770 3.452 -0.318
29 HA GLU 5 HA GLU 5 3.285 2.786 -1.636
30 1HB GLU 5 1HB GLU 5 2.144 2.618 -3.688
31 2HB GLU 5 2HB GLU 5 1.007 1.916 -2.554
32 1HG GLU 5 1HG GLU 5 0.179 4.484 -2.375
33 2HG GLU 5 2HG GLU 5 0.878 4.565 -3.979
34 H DTR 6 H DTR 6 1.613 5.267 -0.090
35 HA DTR 6 HA DTR 6 2.480 7.419 -1.888
36 1HB DTR 6 1HB DTR 6 3.834 8.418 -0.125
37 2HB DTR 6 2HB DTR 6 3.556 7.030 0.909
38 HD1 DTR 6 HD1 DTR 6 5.701 5.554 0.936
39 HE1 DTR 6 HE1 DTR 6 7.565 4.730 -0.740
40 HZ2 DTR 6 HZ2 DTR 6 8.073 5.209 -3.507
41 HH2 DTR 6 HH2 DTR 6 7.167 6.466 -5.497
42 HZ3 DTR 6 HZ3 DTR 6 5.157 7.834 -5.260
43 HE3 DTR 6 HE3 DTR 6 3.917 8.067 -3.110
44 H IAM 7 H IAM 7 -0.161 6.884 -1.466
45 HA IAM 7 HA IAM 7 -0.958 8.983 0.340
46 HB IAM 7 HB IAM 7 -2.839 7.136 -1.167
47 HD1 IAM 7 HD1 IAM 7 -1.713 6.222 -3.055
48 HE1 IAM 7 HE1 IAM 7 -0.769 6.591 -5.353
49 HE2 IAM 7 HE2 IAM 7 -0.628 10.769 -4.621
50 HD2 IAM 7 HD2 IAM 7 -1.573 10.399 -2.325
51 1HT IAM 7 1HT IAM 7 0.719 8.224 -6.698
52 2HT IAM 7 2HT IAM 7 0.319 9.923 -6.590
53 HH IAM 7 HH IAM 7 -1.464 9.543 -8.080
54 HI IAM 7 HI IAM 7 -2.154 7.058 -6.801
55 1HB IAM 7 1HB IAM 7 -2.974 8.868 -0.942
56 1HK1 IAM 7 1HK1 IAM 7 -0.250 6.760 -9.133
57 2HK1 IAM 7 2HK1 IAM 7 0.126 6.368 -7.472
58 3HK1 IAM 7 3HK1 IAM 7 -1.087 5.450 -8.333
59 1HK2 IAM 7 1HK2 IAM 7 -2.436 7.434 -9.755
60 2HK2 IAM 7 2HK2 IAM 7 -3.534 6.660 -8.640
61 3HK2 IAM 7 3HK2 IAM 7 -3.396 8.401 -8.661
62 H THR 8 H THR 8 -1.874 5.502 -0.209
63 HA THR 8 HA THR 8 -1.754 4.808 2.488
64 HB THR 8 HB THR 8 -3.929 6.494 2.012
65 HG1 THR 8 HG1 THR 8 -3.784 4.209 3.839
66 1HG2 THR 8 1HG2 THR 8 -5.032 3.678 2.371
67 2HG2 THR 8 2HG2 THR 8 -5.926 5.179 2.035
68 3HG2 THR 8 3HG2 THR 8 -4.950 4.421 0.755
69 H PHE 9 H PHE 9 -3.098 2.674 2.867
70 HA PHE 9 HA PHE 9 -2.128 0.734 1.349
71 2HB PHE 9 2HB PHE 9 -3.427 0.102 3.247
72 HD1 PHE 9 HD1 PHE 9 -6.526 0.809 1.447
73 HD2 PHE 9 HD2 PHE 9 -3.975 2.052 4.602
74 HE1 PHE 9 HE1 PHE 9 -8.362 2.258 2.361
75 HE2 PHE 9 HE2 PHE 9 -5.810 3.502 5.515
76 HZ PHE 9 HZ PHE 9 -7.981 3.587 4.383
77 H LYS 10 H LYS 10 -1.953 0.958 -0.886
78 HA LYS 10 HA LYS 10 -4.501 0.773 -2.312
79 1HB LYS 10 1HB LYS 10 -2.444 2.896 -2.558
80 2HB LYS 10 2HB LYS 10 -3.025 2.228 -4.071
81 1HG LYS 10 1HG LYS 10 -5.333 2.753 -3.523
82 2HG LYS 10 2HG LYS 10 -4.920 3.140 -1.863
83 1HD LYS 10 1HD LYS 10 -5.265 5.125 -3.504
84 2HD LYS 10 2HD LYS 10 -3.859 5.179 -2.459
85 1HE LYS 10 1HE LYS 10 -3.623 3.904 -5.199
86 2HE LYS 10 2HE LYS 10 -3.602 5.651 -5.061
87 1HZ LYS 10 1HZ LYS 10 -1.864 4.299 -3.181
88 H SER 11 H SER 11 -3.530 -1.544 -1.820
89 HA SER 11 HA SER 11 -2.363 -3.298 -2.457
90 2HB SER 11 2HB SER 11 -4.135 -3.407 -4.076
91 HG SER 11 HG SER 11 -4.103 -1.323 -4.994
92 H CYS 12 H CYS 12 -0.318 -2.044 -1.708
93 HA CYS 12 HA CYS 12 1.845 -1.758 -1.986
94 2HB CYS 12 2HB CYS 12 1.979 -2.338 -4.883
9 PHE HA 10 KBR QG 6.38
9 PHE HA 9 PHE HB2 2.99
9 PHE HA 9 PHE HB3 2.99
9 PHE HA 9 PHE QB 2.78
9 PHE HB2 10 KBR HN 4.79
9 PHE HB3 10 KBR HN 4.79
9 PHE HN 9 PHE HB2 3.92
9 PHE HN 9 PHE HB3 3.92
9 PHE HN 9 PHE QB 3.39
9 PHE QB 10 KBR HN 4.48
9 PHE QD 10 KBR QG 8.50
9 PHE QD 11 SER QB 8.50