NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
566665 |
2md4   |
19471 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 1.440 -0.346 -2.031
3 HB2 TRP 1 2HB TRP 1 3.047 1.411 -2.540
4 HB3 TRP 1 3HB TRP 1 1.710 2.076 -1.605
5 HD1 TRP 1 HD1 TRP 1 5.405 1.943 -1.674
6 HE1 TRP 1 HE1 TRP 1 6.383 2.913 0.500
7 HE3 TRP 1 HE3 TRP 1 1.137 2.100 1.136
8 HZ2 TRP 1 HZ2 TRP 1 5.466 3.647 3.067
9 HZ3 TRP 1 HZ3 TRP 1 1.273 2.950 3.441
10 HH2 TRP 1 HH2 TRP 1 3.394 3.706 4.385
11 H LYS 2 H LYS 2 4.393 0.302 -2.258
12 HA LYS 2 HA LYS 2 5.401 -2.279 -2.279
13 HB2 LYS 2 2HB LYS 2 6.936 -1.112 -3.414
14 HB3 LYS 2 3HB LYS 2 6.434 0.396 -2.661
15 HG2 LYS 2 2HG LYS 2 8.121 -1.493 -1.098
16 HG3 LYS 2 3HG LYS 2 8.869 -0.520 -2.367
17 HD2 LYS 2 2HD LYS 2 7.073 0.907 -0.503
18 HD3 LYS 2 3HD LYS 2 8.594 0.317 0.171
19 HE2 LYS 2 2HE LYS 2 8.802 1.670 -2.435
20 HE3 LYS 2 3HE LYS 2 8.301 2.694 -1.091
21 HZ1 LYS 2 3HZ LYS 2 10.486 2.859 -0.719
22 HZ2 LYS 2 1HZ LYS 2 10.864 1.481 -1.625
23 HZ3 LYS 2 2HZ LYS 2 10.350 1.323 -0.022
24 H LEU 3 H LEU 3 5.377 0.096 0.306
25 HA LEU 3 HA LEU 3 7.128 -1.371 2.028
26 HB2 LEU 3 2HB LEU 3 6.860 1.048 2.213
27 HB3 LEU 3 3HB LEU 3 5.165 0.833 2.643
28 HG LEU 3 HG LEU 3 6.911 1.333 4.495
29 HD11 LEU 3 1HD1 LEU 3 5.235 0.777 5.842
30 HD12 LEU 3 2HD1 LEU 3 5.434 -0.939 5.487
31 HD13 LEU 3 3HD1 LEU 3 4.433 0.068 4.440
32 HD21 LEU 3 3HD2 LEU 3 7.793 -0.786 5.494
33 HD22 LEU 3 1HD2 LEU 3 8.555 -0.313 3.975
34 HD23 LEU 3 2HD2 LEU 3 7.355 -1.605 3.995
35 H LEU 4 H LEU 4 3.883 -1.714 1.139
36 HA LEU 4 HA LEU 4 3.172 -3.109 3.614
37 HB2 LEU 4 2HB LEU 4 1.644 -1.938 1.347
38 HB3 LEU 4 3HB LEU 4 0.928 -3.288 2.226
39 HG LEU 4 HG LEU 4 0.068 -1.221 3.102
40 HD11 LEU 4 1HD1 LEU 4 1.678 -1.553 5.401
41 HD12 LEU 4 2HD1 LEU 4 1.498 -3.136 4.647
42 HD13 LEU 4 3HD1 LEU 4 0.069 -2.202 5.087
43 HD21 LEU 4 3HD2 LEU 4 2.458 -0.147 4.297
44 HD22 LEU 4 1HD2 LEU 4 1.265 0.643 3.266
45 HD23 LEU 4 2HD2 LEU 4 2.617 -0.227 2.541
46 H SER 5 H SER 5 3.676 -3.633 0.179
47 HA SER 5 HA SER 5 2.854 -6.396 0.286
48 HB2 SER 5 2HB SER 5 4.345 -4.963 -1.923
49 HB3 SER 5 3HB SER 5 3.459 -6.482 -2.054
50 HG SER 5 HG SER 5 2.429 -4.329 -2.688
51 H LYS 6 H LYS 6 5.850 -4.582 0.384
52 HA LYS 6 HA LYS 6 7.611 -6.765 0.002
53 HB2 LYS 6 2HB LYS 6 8.570 -4.656 -0.335
54 HB3 LYS 6 3HB LYS 6 7.909 -4.012 1.162
55 HG2 LYS 6 2HG LYS 6 9.723 -6.247 1.590
56 HG3 LYS 6 3HG LYS 6 10.482 -4.878 0.773
57 HD2 LYS 6 2HD LYS 6 8.819 -3.962 2.936
58 HD3 LYS 6 3HD LYS 6 9.974 -5.165 3.515
59 HE2 LYS 6 2HE LYS 6 11.297 -3.331 3.693
60 HE3 LYS 6 3HE LYS 6 11.619 -3.710 2.002
61 HZ1 LYS 6 3HZ LYS 6 10.371 -1.962 1.275
62 HZ2 LYS 6 1HZ LYS 6 10.927 -1.314 2.736
63 HZ3 LYS 6 2HZ LYS 6 9.363 -1.949 2.633
64 H ALA 7 H ALA 7 6.232 -5.257 2.889
65 HA ALA 7 HA ALA 7 7.649 -7.014 4.682
66 HB1 ALA 7 1HB ALA 7 6.106 -5.947 6.398
67 HB2 ALA 7 2HB ALA 7 7.220 -4.872 5.551
68 HB3 ALA 7 3HB ALA 7 5.521 -4.931 5.080
69 H GLN 8 H GLN 8 4.416 -6.794 3.304
70 HA GLN 8 HA GLN 8 3.316 -8.889 4.909
71 HB2 GLN 8 2HB GLN 8 1.846 -7.212 3.979
72 HB3 GLN 8 3HB GLN 8 2.361 -7.608 2.345
73 HG2 GLN 8 2HG GLN 8 0.978 -9.360 2.195
74 HG3 GLN 8 3HG GLN 8 1.270 -9.865 3.858
75 HE21 GLN 8 1HE2 GLN 8 0.234 -8.505 5.542
76 HE22 GLN 8 2HE2 GLN 8 -1.350 -7.897 5.220
77 H GLU 9 H GLU 9 5.012 -8.714 1.873
78 HA GLU 9 HA GLU 9 4.296 -11.106 0.680
79 HB2 GLU 9 2HB GLU 9 5.668 -9.620 -0.552
80 HB3 GLU 9 3HB GLU 9 6.899 -9.591 0.704
81 HG2 GLU 9 2HG GLU 9 7.809 -11.576 0.059
82 HG3 GLU 9 3HG GLU 9 6.288 -12.192 -0.585
83 H LYS 10 H LYS 10 6.576 -10.504 3.293
84 HA LYS 10 HA LYS 10 7.360 -13.302 3.399
85 HB2 LYS 10 2HB LYS 10 8.923 -12.632 5.102
86 HB3 LYS 10 3HB LYS 10 9.011 -11.475 3.780
87 HG2 LYS 10 2HG LYS 10 7.086 -10.645 5.762
88 HG3 LYS 10 3HG LYS 10 8.675 -10.918 6.480
89 HD2 LYS 10 2HD LYS 10 8.151 -9.211 4.048
90 HD3 LYS 10 3HD LYS 10 8.348 -8.593 5.689
91 HE2 LYS 10 2HE LYS 10 10.389 -10.053 4.021
92 HE3 LYS 10 3HE LYS 10 10.438 -8.368 4.539
93 HZ1 LYS 10 3HZ LYS 10 10.433 -9.295 6.880
94 HZ2 LYS 10 1HZ LYS 10 11.855 -9.506 5.987
95 HZ3 LYS 10 2HZ LYS 10 10.783 -10.799 6.189
96 H PHE 11 H PHE 11 4.621 -11.992 4.162
97 HA PHE 11 HA PHE 11 4.367 -13.399 6.740
98 HB2 PHE 11 2HB PHE 11 2.876 -10.954 5.766
99 HB3 PHE 11 3HB PHE 11 2.486 -11.836 7.239
100 HD1 PHE 11 HD2 PHE 11 5.482 -12.397 7.890
101 HD2 PHE 11 HD1 PHE 11 3.286 -8.883 6.917
102 HE1 PHE 11 HE2 PHE 11 7.112 -11.038 9.135
103 HE2 PHE 11 HE1 PHE 11 4.912 -7.518 8.160
104 HZ PHE 11 HZ PHE 11 6.828 -8.595 9.272
105 H GLY 12 H GLY 12 2.980 -12.756 3.589
106 HA2 GLY 12 2HA GLY 12 0.600 -14.304 4.045
107 HA3 GLY 12 3HA GLY 12 1.155 -13.672 2.502
Start of MODEL 2
1 H1 TRP 1 H TRP 1 1.913 0.014 0.782
2 HA TRP 1 HA TRP 1 1.599 -0.357 -2.108
3 HB2 TRP 1 2HB TRP 1 3.223 1.388 -2.603
4 HB3 TRP 1 3HB TRP 1 1.872 2.067 -1.699
5 HD1 TRP 1 HD1 TRP 1 5.567 1.917 -1.697
6 HE1 TRP 1 HE1 TRP 1 6.508 2.903 0.486
7 HE3 TRP 1 HE3 TRP 1 1.248 2.120 1.031
8 HZ2 TRP 1 HZ2 TRP 1 5.547 3.665 3.028
9 HZ3 TRP 1 HZ3 TRP 1 1.345 2.990 3.330
10 HH2 TRP 1 HH2 TRP 1 3.451 3.746 4.307
11 H LYS 2 H LYS 2 4.558 0.275 -2.285
12 HA LYS 2 HA LYS 2 5.555 -2.310 -2.263
13 HB2 LYS 2 2HB LYS 2 7.116 -1.161 -3.380
14 HB3 LYS 2 3HB LYS 2 6.607 0.356 -2.650
15 HG2 LYS 2 2HG LYS 2 8.255 -1.526 -1.039
16 HG3 LYS 2 3HG LYS 2 9.032 -0.569 -2.303
17 HD2 LYS 2 2HD LYS 2 7.208 0.884 -0.486
18 HD3 LYS 2 3HD LYS 2 8.713 0.293 0.223
19 HE2 LYS 2 2HE LYS 2 9.515 2.260 -0.544
20 HE3 LYS 2 3HE LYS 2 9.665 1.361 -2.052
21 HZ1 LYS 2 3HZ LYS 2 8.589 3.406 -2.527
22 HZ2 LYS 2 1HZ LYS 2 7.474 3.201 -1.271
23 HZ3 LYS 2 2HZ LYS 2 7.410 2.199 -2.632
24 H LEU 3 H LEU 3 5.493 0.089 0.299
25 HA LEU 3 HA LEU 3 7.205 -1.370 2.066
26 HB2 LEU 3 2HB LEU 3 6.945 1.052 2.224
27 HB3 LEU 3 3HB LEU 3 5.241 0.849 2.625
28 HG LEU 3 HG LEU 3 6.955 1.358 4.504
29 HD11 LEU 3 1HD1 LEU 3 5.449 -0.897 5.489
30 HD12 LEU 3 2HD1 LEU 3 4.473 0.105 4.415
31 HD13 LEU 3 3HD1 LEU 3 5.252 0.824 5.824
32 HD21 LEU 3 3HD2 LEU 3 7.809 -0.755 5.539
33 HD22 LEU 3 1HD2 LEU 3 8.601 -0.301 4.030
34 HD23 LEU 3 2HD2 LEU 3 7.394 -1.587 4.039
35 H LEU 4 H LEU 4 3.976 -1.706 1.120
36 HA LEU 4 HA LEU 4 3.211 -3.075 3.594
37 HB2 LEU 4 2HB LEU 4 1.732 -1.918 1.288
38 HB3 LEU 4 3HB LEU 4 0.994 -3.257 2.166
39 HG LEU 4 HG LEU 4 0.127 -1.178 3.005
40 HD11 LEU 4 1HD1 LEU 4 1.519 -3.084 4.596
41 HD12 LEU 4 2HD1 LEU 4 0.084 -2.141 4.998
42 HD13 LEU 4 3HD1 LEU 4 1.688 -1.493 5.340
43 HD21 LEU 4 3HD2 LEU 4 1.330 0.682 3.178
44 HD22 LEU 4 1HD2 LEU 4 2.690 -0.201 2.485
45 HD23 LEU 4 2HD2 LEU 4 2.501 -0.106 4.236
46 H SER 5 H SER 5 3.777 -3.634 0.175
47 HA SER 5 HA SER 5 2.941 -6.392 0.293
48 HB2 SER 5 2HB SER 5 4.479 -4.987 -1.901
49 HB3 SER 5 3HB SER 5 3.589 -6.504 -2.035
50 HG SER 5 HG SER 5 1.696 -5.418 -1.886
51 H LYS 6 H LYS 6 5.942 -4.591 0.430
52 HA LYS 6 HA LYS 6 7.701 -6.785 0.101
53 HB2 LYS 6 2HB LYS 6 8.675 -4.683 -0.237
54 HB3 LYS 6 3HB LYS 6 7.989 -4.022 1.241
55 HG2 LYS 6 2HG LYS 6 9.785 -6.261 1.724
56 HG3 LYS 6 3HG LYS 6 10.565 -4.903 0.909
57 HD2 LYS 6 2HD LYS 6 8.866 -3.959 3.031
58 HD3 LYS 6 3HD LYS 6 10.004 -5.162 3.643
59 HE2 LYS 6 2HE LYS 6 11.760 -3.806 2.294
60 HE3 LYS 6 3HE LYS 6 10.550 -2.524 2.338
61 HZ1 LYS 6 3HZ LYS 6 12.244 -2.514 4.176
62 HZ2 LYS 6 1HZ LYS 6 11.496 -3.905 4.781
63 HZ3 LYS 6 2HZ LYS 6 10.628 -2.458 4.674
64 H ALA 7 H ALA 7 6.275 -5.244 2.947
65 HA ALA 7 HA ALA 7 7.650 -6.990 4.783
66 HB1 ALA 7 1HB ALA 7 7.215 -4.837 5.621
67 HB2 ALA 7 2HB ALA 7 5.524 -4.895 5.123
68 HB3 ALA 7 3HB ALA 7 6.084 -5.899 6.460
69 H GLN 8 H GLN 8 4.444 -6.767 3.343
70 HA GLN 8 HA GLN 8 3.304 -8.842 4.946
71 HB2 GLN 8 2HB GLN 8 1.860 -7.167 3.973
72 HB3 GLN 8 3HB GLN 8 2.403 -7.582 2.353
73 HG2 GLN 8 2HG GLN 8 1.018 -9.334 2.197
74 HG3 GLN 8 3HG GLN 8 1.270 -9.815 3.874
75 HE21 GLN 8 1HE2 GLN 8 -0.486 -9.720 5.056
76 HE22 GLN 8 2HE2 GLN 8 -1.792 -8.605 4.865
77 H GLU 9 H GLU 9 5.059 -8.704 1.942
78 HA GLU 9 HA GLU 9 4.353 -11.104 0.758
79 HB2 GLU 9 2HB GLU 9 5.757 -9.636 -0.461
80 HB3 GLU 9 3HB GLU 9 6.963 -9.603 0.818
81 HG2 GLU 9 2HG GLU 9 7.854 -11.622 0.227
82 HG3 GLU 9 3HG GLU 9 6.352 -12.200 -0.491
83 H LYS 10 H LYS 10 6.585 -10.489 3.409
84 HA LYS 10 HA LYS 10 7.350 -13.290 3.556
85 HB2 LYS 10 2HB LYS 10 8.885 -12.613 5.283
86 HB3 LYS 10 3HB LYS 10 9.006 -11.471 3.950
87 HG2 LYS 10 2HG LYS 10 7.050 -10.608 5.887
88 HG3 LYS 10 3HG LYS 10 8.625 -10.880 6.635
89 HD2 LYS 10 2HD LYS 10 8.146 -9.197 4.176
90 HD3 LYS 10 3HD LYS 10 8.326 -8.564 5.814
91 HE2 LYS 10 2HE LYS 10 10.514 -8.457 5.411
92 HE3 LYS 10 3HE LYS 10 10.525 -10.219 5.479
93 HZ1 LYS 10 3HZ LYS 10 11.422 -8.924 3.397
94 HZ2 LYS 10 1HZ LYS 10 9.791 -8.947 2.947
95 HZ3 LYS 10 2HZ LYS 10 10.612 -10.399 3.227
96 H PHE 11 H PHE 11 4.605 -11.962 4.253
97 HA PHE 11 HA PHE 11 4.295 -13.338 6.840
98 HB2 PHE 11 2HB PHE 11 2.836 -10.897 5.811
99 HB3 PHE 11 3HB PHE 11 2.410 -11.762 7.284
100 HD1 PHE 11 HD2 PHE 11 5.386 -12.332 8.008
101 HD2 PHE 11 HD1 PHE 11 3.235 -8.816 6.945
102 HE1 PHE 11 HE2 PHE 11 6.996 -10.968 9.274
103 HE2 PHE 11 HE1 PHE 11 4.842 -7.447 8.208
104 HZ PHE 11 HZ PHE 11 6.725 -8.522 9.375
105 H GLY 12 H GLY 12 2.972 -12.725 3.656
106 HA2 GLY 12 2HA GLY 12 0.526 -14.124 4.013
107 HA3 GLY 12 3HA GLY 12 1.277 -13.732 2.473
Start of MODEL 3
1 H1 TRP 1 H TRP 1 1.817 -0.015 0.846
2 HA TRP 1 HA TRP 1 1.404 -0.348 -2.036
3 HB2 TRP 1 2HB TRP 1 2.998 1.414 -2.562
4 HB3 TRP 1 3HB TRP 1 1.677 2.071 -1.599
5 HD1 TRP 1 HD1 TRP 1 5.370 1.942 -1.733
6 HE1 TRP 1 HE1 TRP 1 6.385 2.902 0.429
7 HE3 TRP 1 HE3 TRP 1 1.151 2.081 1.150
8 HZ2 TRP 1 HZ2 TRP 1 5.512 3.622 3.015
9 HZ3 TRP 1 HZ3 TRP 1 1.327 2.919 3.458
10 HH2 TRP 1 HH2 TRP 1 3.463 3.672 4.369
11 H LYS 2 H LYS 2 4.350 0.304 -2.310
12 HA LYS 2 HA LYS 2 5.363 -2.273 -2.364
13 HB2 LYS 2 2HB LYS 2 6.881 -1.098 -3.511
14 HB3 LYS 2 3HB LYS 2 6.384 0.405 -2.745
15 HG2 LYS 2 2HG LYS 2 8.094 -1.481 -1.207
16 HG3 LYS 2 3HG LYS 2 8.827 -0.513 -2.488
17 HD2 LYS 2 2HD LYS 2 7.057 0.909 -0.589
18 HD3 LYS 2 3HD LYS 2 8.603 0.337 0.043
19 HE2 LYS 2 2HE LYS 2 8.709 1.694 -2.571
20 HE3 LYS 2 3HE LYS 2 8.256 2.709 -1.203
21 HZ1 LYS 2 3HZ LYS 2 10.765 1.223 -1.646
22 HZ2 LYS 2 1HZ LYS 2 10.292 1.665 -0.083
23 HZ3 LYS 2 2HZ LYS 2 10.551 2.855 -1.256
24 H LEU 3 H LEU 3 5.391 0.089 0.236
25 HA LEU 3 HA LEU 3 7.166 -1.389 1.920
26 HB2 LEU 3 2HB LEU 3 6.898 1.028 2.129
27 HB3 LEU 3 3HB LEU 3 5.208 0.808 2.580
28 HG LEU 3 HG LEU 3 6.972 1.297 4.414
29 HD11 LEU 3 1HD1 LEU 3 5.517 -0.993 5.399
30 HD12 LEU 3 2HD1 LEU 3 4.501 0.027 4.382
31 HD13 LEU 3 3HD1 LEU 3 5.322 0.717 5.781
32 HD21 LEU 3 3HD2 LEU 3 7.880 -0.825 5.384
33 HD22 LEU 3 1HD2 LEU 3 8.619 -0.335 3.859
34 HD23 LEU 3 2HD2 LEU 3 7.426 -1.634 3.883
35 H LEU 4 H LEU 4 3.895 -1.710 1.095
36 HA LEU 4 HA LEU 4 3.227 -3.127 3.567
37 HB2 LEU 4 2HB LEU 4 1.667 -1.958 1.321
38 HB3 LEU 4 3HB LEU 4 0.968 -3.312 2.207
39 HG LEU 4 HG LEU 4 0.114 -1.242 3.089
40 HD11 LEU 4 1HD1 LEU 4 1.715 -1.581 5.385
41 HD12 LEU 4 2HD1 LEU 4 1.563 -3.162 4.621
42 HD13 LEU 4 3HD1 LEU 4 0.118 -2.253 5.059
43 HD21 LEU 4 3HD2 LEU 4 1.317 0.617 3.274
44 HD22 LEU 4 1HD2 LEU 4 2.653 -0.248 2.514
45 HD23 LEU 4 2HD2 LEU 4 2.526 -0.192 4.273
46 H SER 5 H SER 5 3.699 -3.643 0.128
47 HA SER 5 HA SER 5 2.888 -6.410 0.240
48 HB2 SER 5 2HB SER 5 4.361 -4.993 -1.989
49 HB3 SER 5 3HB SER 5 3.438 -6.491 -2.104
50 HG SER 5 HG SER 5 2.512 -4.174 -2.614
51 H LYS 6 H LYS 6 5.879 -4.584 0.297
52 HA LYS 6 HA LYS 6 7.630 -6.785 -0.084
53 HB2 LYS 6 2HB LYS 6 9.390 -5.296 0.524
54 HB3 LYS 6 3HB LYS 6 8.220 -4.358 -0.395
55 HG2 LYS 6 2HG LYS 6 8.631 -2.915 1.316
56 HG3 LYS 6 3HG LYS 6 7.275 -3.815 2.001
57 HD2 LYS 6 2HD LYS 6 8.560 -4.344 3.736
58 HD3 LYS 6 3HD LYS 6 9.598 -5.265 2.646
59 HE2 LYS 6 2HE LYS 6 10.896 -3.232 2.188
60 HE3 LYS 6 3HE LYS 6 9.867 -2.332 3.301
61 HZ1 LYS 6 3HZ LYS 6 12.145 -3.851 3.889
62 HZ2 LYS 6 1HZ LYS 6 10.822 -4.595 4.636
63 HZ3 LYS 6 2HZ LYS 6 11.169 -2.971 4.954
64 H ALA 7 H ALA 7 6.174 -5.290 2.745
65 HA ALA 7 HA ALA 7 7.682 -6.946 4.582
66 HB1 ALA 7 1HB ALA 7 5.923 -5.842 6.205
67 HB2 ALA 7 2HB ALA 7 7.299 -4.929 5.584
68 HB3 ALA 7 3HB ALA 7 5.708 -4.738 4.846
69 H GLN 8 H GLN 8 4.433 -6.795 3.235
70 HA GLN 8 HA GLN 8 3.384 -8.870 4.906
71 HB2 GLN 8 2HB GLN 8 1.867 -7.231 4.000
72 HB3 GLN 8 3HB GLN 8 2.360 -7.616 2.356
73 HG2 GLN 8 2HG GLN 8 1.006 -9.394 2.228
74 HG3 GLN 8 3HG GLN 8 1.328 -9.890 3.888
75 HE21 GLN 8 1HE2 GLN 8 0.420 -8.182 5.515
76 HE22 GLN 8 2HE2 GLN 8 -1.226 -7.737 5.239
77 H GLU 9 H GLU 9 5.014 -8.722 1.835
78 HA GLU 9 HA GLU 9 4.290 -11.135 0.687
79 HB2 GLU 9 2HB GLU 9 5.623 -9.656 -0.593
80 HB3 GLU 9 3HB GLU 9 6.879 -9.600 0.635
81 HG2 GLU 9 2HG GLU 9 7.802 -11.573 -0.011
82 HG3 GLU 9 3HG GLU 9 6.271 -12.228 -0.590
83 H LYS 10 H LYS 10 6.607 -10.482 3.252
84 HA LYS 10 HA LYS 10 7.420 -13.272 3.374
85 HB2 LYS 10 2HB LYS 10 9.010 -12.568 5.039
86 HB3 LYS 10 3HB LYS 10 9.064 -11.430 3.699
87 HG2 LYS 10 2HG LYS 10 7.174 -10.592 5.715
88 HG3 LYS 10 3HG LYS 10 8.787 -10.829 6.391
89 HD2 LYS 10 2HD LYS 10 8.168 -9.172 3.946
90 HD3 LYS 10 3HD LYS 10 8.399 -8.523 5.571
91 HE2 LYS 10 2HE LYS 10 10.418 -9.978 3.872
92 HE3 LYS 10 3HE LYS 10 10.454 -8.285 4.362
93 HZ1 LYS 10 3HZ LYS 10 10.564 -9.131 6.707
94 HZ2 LYS 10 1HZ LYS 10 11.938 -9.430 5.766
95 HZ3 LYS 10 2HZ LYS 10 10.835 -10.675 6.071
96 H PHE 11 H PHE 11 4.682 -11.992 4.166
97 HA PHE 11 HA PHE 11 4.495 -13.351 6.775
98 HB2 PHE 11 2HB PHE 11 2.936 -10.958 5.778
99 HB3 PHE 11 3HB PHE 11 2.603 -11.811 7.282
100 HD1 PHE 11 HD1 PHE 11 5.648 -12.287 7.830
101 HD2 PHE 11 HD2 PHE 11 3.307 -8.855 6.905
102 HE1 PHE 11 HE1 PHE 11 7.280 -10.864 8.999
103 HE2 PHE 11 HE2 PHE 11 4.935 -7.426 8.071
104 HZ PHE 11 HZ PHE 11 6.925 -8.429 9.119
105 H GLY 12 H GLY 12 3.049 -12.802 3.633
106 HA2 GLY 12 2HA GLY 12 0.789 -14.538 4.220
107 HA3 GLY 12 3HA GLY 12 1.090 -13.690 2.710
Start of MODEL 4
1 H1 TRP 1 H TRP 1 1.953 -0.077 0.943
2 HA TRP 1 HA TRP 1 1.590 -0.344 -1.954
3 HB2 TRP 1 2HB TRP 1 3.236 1.390 -2.409
4 HB3 TRP 1 3HB TRP 1 1.913 2.058 -1.457
5 HD1 TRP 1 HD1 TRP 1 5.605 1.832 -1.521
6 HE1 TRP 1 HE1 TRP 1 6.600 2.721 0.680
7 HE3 TRP 1 HE3 TRP 1 1.332 2.031 1.279
8 HZ2 TRP 1 HZ2 TRP 1 5.693 3.414 3.262
9 HZ3 TRP 1 HZ3 TRP 1 1.482 2.818 3.605
10 HH2 TRP 1 HH2 TRP 1 3.619 3.494 4.575
11 H LYS 2 H LYS 2 4.553 0.238 -2.162
12 HA LYS 2 HA LYS 2 5.505 -2.361 -2.250
13 HB2 LYS 2 2HB LYS 2 7.201 -1.309 -3.245
14 HB3 LYS 2 3HB LYS 2 6.534 0.234 -2.729
15 HG2 LYS 2 2HG LYS 2 8.134 -1.306 -0.763
16 HG3 LYS 2 3HG LYS 2 8.985 -0.523 -2.096
17 HD2 LYS 2 2HD LYS 2 7.744 1.593 -1.469
18 HD3 LYS 2 3HD LYS 2 7.243 0.755 0.001
19 HE2 LYS 2 2HE LYS 2 9.198 1.188 0.963
20 HE3 LYS 2 3HE LYS 2 10.064 0.436 -0.375
21 HZ1 LYS 2 3HZ LYS 2 10.001 3.121 0.284
22 HZ2 LYS 2 1HZ LYS 2 9.104 2.981 -1.144
23 HZ3 LYS 2 2HZ LYS 2 10.698 2.419 -1.089
24 H LEU 3 H LEU 3 5.528 -0.059 0.402
25 HA LEU 3 HA LEU 3 7.243 -1.604 2.087
26 HB2 LEU 3 2HB LEU 3 7.011 0.808 2.351
27 HB3 LEU 3 3HB LEU 3 5.307 0.609 2.753
28 HG LEU 3 HG LEU 3 7.021 1.026 4.645
29 HD11 LEU 3 1HD1 LEU 3 4.539 -0.198 4.522
30 HD12 LEU 3 2HD1 LEU 3 5.345 0.407 5.969
31 HD13 LEU 3 3HD1 LEU 3 5.512 -1.287 5.510
32 HD21 LEU 3 3HD2 LEU 3 8.671 -0.604 4.094
33 HD22 LEU 3 1HD2 LEU 3 7.468 -1.893 4.049
34 HD23 LEU 3 2HD2 LEU 3 7.884 -1.130 5.583
35 H LEU 4 H LEU 4 3.951 -1.791 1.230
36 HA LEU 4 HA LEU 4 3.225 -3.278 3.639
37 HB2 LEU 4 2HB LEU 4 1.726 -2.032 1.391
38 HB3 LEU 4 3HB LEU 4 0.985 -3.384 2.245
39 HG LEU 4 HG LEU 4 0.161 -1.316 3.153
40 HD11 LEU 4 1HD1 LEU 4 0.133 -2.335 5.119
41 HD12 LEU 4 2HD1 LEU 4 1.752 -1.723 5.454
42 HD13 LEU 4 3HD1 LEU 4 1.546 -3.288 4.667
43 HD21 LEU 4 3HD2 LEU 4 1.395 0.520 3.354
44 HD22 LEU 4 1HD2 LEU 4 2.736 -0.367 2.627
45 HD23 LEU 4 2HD2 LEU 4 2.564 -0.312 4.382
46 H SER 5 H SER 5 3.761 -3.722 0.201
47 HA SER 5 HA SER 5 2.882 -6.469 0.222
48 HB2 SER 5 2HB SER 5 4.446 -5.028 -1.929
49 HB3 SER 5 3HB SER 5 3.502 -6.506 -2.109
50 HG SER 5 HG SER 5 1.994 -5.142 -2.672
51 H LYS 6 H LYS 6 5.937 -4.726 0.300
52 HA LYS 6 HA LYS 6 7.615 -6.986 -0.034
53 HB2 LYS 6 2HB LYS 6 9.410 -5.554 0.463
54 HB3 LYS 6 3HB LYS 6 8.219 -4.513 -0.305
55 HG2 LYS 6 2HG LYS 6 7.467 -3.834 1.983
56 HG3 LYS 6 3HG LYS 6 8.851 -4.720 2.627
57 HD2 LYS 6 2HD LYS 6 8.991 -2.439 0.655
58 HD3 LYS 6 3HD LYS 6 9.322 -2.319 2.385
59 HE2 LYS 6 2HE LYS 6 11.155 -3.938 2.126
60 HE3 LYS 6 3HE LYS 6 10.834 -4.009 0.394
61 HZ1 LYS 6 3HZ LYS 6 12.429 -2.433 0.371
62 HZ2 LYS 6 1HZ LYS 6 12.132 -1.926 1.958
63 HZ3 LYS 6 2HZ LYS 6 11.131 -1.399 0.701
64 H ALA 7 H ALA 7 6.153 -5.441 2.759
65 HA ALA 7 HA ALA 7 7.610 -7.092 4.638
66 HB1 ALA 7 1HB ALA 7 5.795 -5.962 6.202
67 HB2 ALA 7 2HB ALA 7 7.218 -5.084 5.639
68 HB3 ALA 7 3HB ALA 7 5.666 -4.857 4.833
69 H GLN 8 H GLN 8 4.378 -6.926 3.244
70 HA GLN 8 HA GLN 8 3.307 -9.002 4.904
71 HB2 GLN 8 2HB GLN 8 1.805 -7.345 4.002
72 HB3 GLN 8 3HB GLN 8 2.298 -7.728 2.358
73 HG2 GLN 8 2HG GLN 8 0.923 -9.486 2.218
74 HG3 GLN 8 3HG GLN 8 1.251 -10.004 3.871
75 HE21 GLN 8 1HE2 GLN 8 0.375 -8.275 5.513
76 HE22 GLN 8 2HE2 GLN 8 -1.274 -7.829 5.256
77 H GLU 9 H GLU 9 4.945 -8.842 1.837
78 HA GLU 9 HA GLU 9 4.211 -11.243 0.671
79 HB2 GLU 9 2HB GLU 9 5.557 -9.750 -0.588
80 HB3 GLU 9 3HB GLU 9 6.817 -9.733 0.638
81 HG2 GLU 9 2HG GLU 9 7.486 -11.948 0.102
82 HG3 GLU 9 3HG GLU 9 6.083 -12.182 -0.940
83 H LYS 10 H LYS 10 6.555 -10.620 3.224
84 HA LYS 10 HA LYS 10 7.351 -13.411 3.332
85 HB2 LYS 10 2HB LYS 10 8.949 -12.733 4.980
86 HB3 LYS 10 3HB LYS 10 8.971 -11.532 3.696
87 HG2 LYS 10 2HG LYS 10 7.075 -10.761 5.695
88 HG3 LYS 10 3HG LYS 10 8.632 -11.113 6.449
89 HD2 LYS 10 2HD LYS 10 9.569 -9.676 4.467
90 HD3 LYS 10 3HD LYS 10 7.924 -9.037 4.423
91 HE2 LYS 10 2HE LYS 10 8.077 -8.215 6.626
92 HE3 LYS 10 3HE LYS 10 9.528 -9.158 6.962
93 HZ1 LYS 10 3HZ LYS 10 9.750 -6.658 6.467
94 HZ2 LYS 10 1HZ LYS 10 9.550 -7.106 4.848
95 HZ3 LYS 10 2HZ LYS 10 10.843 -7.727 5.744
96 H PHE 11 H PHE 11 4.634 -12.027 4.186
97 HA PHE 11 HA PHE 11 4.417 -13.468 6.748
98 HB2 PHE 11 2HB PHE 11 2.868 -11.050 5.795
99 HB3 PHE 11 3HB PHE 11 2.560 -11.914 7.298
100 HD1 PHE 11 HD2 PHE 11 5.663 -12.390 7.697
101 HD2 PHE 11 HD1 PHE 11 3.218 -8.973 7.019
102 HE1 PHE 11 HE2 PHE 11 7.320 -10.980 8.846
103 HE2 PHE 11 HE1 PHE 11 4.871 -7.558 8.167
104 HZ PHE 11 HZ PHE 11 6.925 -8.561 9.083
105 H GLY 12 H GLY 12 3.012 -12.876 3.603
106 HA2 GLY 12 2HA GLY 12 0.659 -14.472 4.125
107 HA3 GLY 12 3HA GLY 12 1.123 -13.766 2.584
Start of MODEL 5
1 H1 TRP 1 H TRP 1 1.966 -0.032 0.936
2 HA TRP 1 HA TRP 1 1.539 -0.323 -1.950
3 HB2 TRP 1 2HB TRP 1 3.166 1.415 -2.454
4 HB3 TRP 1 3HB TRP 1 1.862 2.084 -1.477
5 HD1 TRP 1 HD1 TRP 1 5.553 1.874 -1.622
6 HE1 TRP 1 HE1 TRP 1 6.592 2.783 0.551
7 HE3 TRP 1 HE3 TRP 1 1.342 2.074 1.270
8 HZ2 TRP 1 HZ2 TRP 1 5.739 3.491 3.147
9 HZ3 TRP 1 HZ3 TRP 1 1.539 2.879 3.587
10 HH2 TRP 1 HH2 TRP 1 3.693 3.572 4.504
11 H LYS 2 H LYS 2 4.495 0.272 -2.227
12 HA LYS 2 HA LYS 2 5.456 -2.324 -2.319
13 HB2 LYS 2 2HB LYS 2 7.122 -1.270 -3.362
14 HB3 LYS 2 3HB LYS 2 6.463 0.274 -2.836
15 HG2 LYS 2 2HG LYS 2 8.115 -1.253 -0.903
16 HG3 LYS 2 3HG LYS 2 8.931 -0.472 -2.260
17 HD2 LYS 2 2HD LYS 2 7.709 1.644 -1.613
18 HD3 LYS 2 3HD LYS 2 7.228 0.811 -0.133
19 HE2 LYS 2 2HE LYS 2 9.630 0.418 0.359
20 HE3 LYS 2 3HE LYS 2 10.042 1.383 -1.058
21 HZ1 LYS 2 3HZ LYS 2 8.396 2.427 1.175
22 HZ2 LYS 2 1HZ LYS 2 9.125 3.304 -0.075
23 HZ3 LYS 2 2HZ LYS 2 10.079 2.586 1.123
24 H LEU 3 H LEU 3 5.525 -0.005 0.316
25 HA LEU 3 HA LEU 3 7.286 -1.531 1.972
26 HB2 LEU 3 2HB LEU 3 7.051 0.882 2.226
27 HB3 LEU 3 3HB LEU 3 5.356 0.681 2.664
28 HG LEU 3 HG LEU 3 7.107 1.116 4.518
29 HD11 LEU 3 1HD1 LEU 3 4.627 -0.118 4.453
30 HD12 LEU 3 2HD1 LEU 3 5.459 0.504 5.878
31 HD13 LEU 3 3HD1 LEU 3 5.624 -1.194 5.432
32 HD21 LEU 3 3HD2 LEU 3 7.992 -1.035 5.453
33 HD22 LEU 3 1HD2 LEU 3 8.751 -0.511 3.950
34 HD23 LEU 3 2HD2 LEU 3 7.553 -1.804 3.927
35 H LEU 4 H LEU 4 3.978 -1.741 1.188
36 HA LEU 4 HA LEU 4 3.313 -3.213 3.624
37 HB2 LEU 4 2HB LEU 4 1.757 -1.988 1.403
38 HB3 LEU 4 3HB LEU 4 1.042 -3.338 2.282
39 HG LEU 4 HG LEU 4 0.229 -1.271 3.198
40 HD11 LEU 4 1HD1 LEU 4 0.262 -2.261 5.178
41 HD12 LEU 4 2HD1 LEU 4 1.894 -1.653 5.456
42 HD13 LEU 4 3HD1 LEU 4 1.657 -3.223 4.690
43 HD21 LEU 4 3HD2 LEU 4 2.644 -0.231 4.360
44 HD22 LEU 4 1HD2 LEU 4 1.453 0.576 3.338
45 HD23 LEU 4 2HD2 LEU 4 2.789 -0.311 2.603
46 H SER 5 H SER 5 3.773 -3.677 0.177
47 HA SER 5 HA SER 5 2.906 -6.428 0.236
48 HB2 SER 5 2HB SER 5 4.412 -4.991 -1.960
49 HB3 SER 5 3HB SER 5 3.474 -6.476 -2.109
50 HG SER 5 HG SER 5 1.686 -5.348 -2.176
51 H LYS 6 H LYS 6 5.953 -4.670 0.234
52 HA LYS 6 HA LYS 6 7.634 -6.925 -0.126
53 HB2 LYS 6 2HB LYS 6 9.433 -5.481 0.321
54 HB3 LYS 6 3HB LYS 6 8.219 -4.449 -0.424
55 HG2 LYS 6 2HG LYS 6 7.518 -3.763 1.879
56 HG3 LYS 6 3HG LYS 6 8.922 -4.639 2.493
57 HD2 LYS 6 2HD LYS 6 9.011 -2.374 0.500
58 HD3 LYS 6 3HD LYS 6 9.363 -2.231 2.223
59 HE2 LYS 6 2HE LYS 6 10.899 -4.372 1.108
60 HE3 LYS 6 3HE LYS 6 11.128 -2.921 0.134
61 HZ1 LYS 6 3HZ LYS 6 12.391 -3.500 2.482
62 HZ2 LYS 6 1HZ LYS 6 11.218 -2.367 2.936
63 HZ3 LYS 6 2HZ LYS 6 12.339 -1.987 1.727
64 H ALA 7 H ALA 7 6.225 -5.373 2.690
65 HA ALA 7 HA ALA 7 7.733 -7.009 4.544
66 HB1 ALA 7 1HB ALA 7 7.358 -4.976 5.517
67 HB2 ALA 7 2HB ALA 7 5.764 -4.794 4.784
68 HB3 ALA 7 3HB ALA 7 5.984 -5.877 6.158
69 H GLN 8 H GLN 8 4.469 -6.857 3.226
70 HA GLN 8 HA GLN 8 3.445 -8.930 4.920
71 HB2 GLN 8 2HB GLN 8 1.923 -7.268 4.051
72 HB3 GLN 8 3HB GLN 8 2.362 -7.672 2.396
73 HG2 GLN 8 2HG GLN 8 1.058 -9.517 2.350
74 HG3 GLN 8 3HG GLN 8 1.302 -9.869 4.060
75 HE21 GLN 8 1HE2 GLN 8 -0.676 -9.994 4.880
76 HE22 GLN 8 2HE2 GLN 8 -1.902 -8.786 4.730
77 H GLU 9 H GLU 9 5.022 -8.775 1.826
78 HA GLU 9 HA GLU 9 4.257 -11.163 0.660
79 HB2 GLU 9 2HB GLU 9 5.608 -9.696 -0.613
80 HB3 GLU 9 3HB GLU 9 6.870 -9.669 0.611
81 HG2 GLU 9 2HG GLU 9 7.514 -10.976 -1.347
82 HG3 GLU 9 3HG GLU 9 7.451 -11.961 0.114
83 H LYS 10 H LYS 10 6.638 -10.581 3.190
84 HA LYS 10 HA LYS 10 7.370 -13.393 3.288
85 HB2 LYS 10 2HB LYS 10 8.972 -12.715 4.998
86 HB3 LYS 10 3HB LYS 10 9.112 -11.686 3.579
87 HG2 LYS 10 2HG LYS 10 7.257 -10.598 5.515
88 HG3 LYS 10 3HG LYS 10 8.859 -10.862 6.207
89 HD2 LYS 10 2HD LYS 10 9.498 -9.751 3.813
90 HD3 LYS 10 3HD LYS 10 7.970 -8.942 4.165
91 HE2 LYS 10 2HE LYS 10 10.373 -9.067 5.985
92 HE3 LYS 10 3HE LYS 10 9.872 -7.673 5.028
93 HZ1 LYS 10 3HZ LYS 10 8.674 -8.786 7.459
94 HZ2 LYS 10 1HZ LYS 10 7.652 -8.037 6.338
95 HZ3 LYS 10 2HZ LYS 10 8.931 -7.171 7.026
96 H PHE 11 H PHE 11 4.696 -12.008 4.158
97 HA PHE 11 HA PHE 11 4.526 -13.367 6.768
98 HB2 PHE 11 2HB PHE 11 2.995 -10.952 5.781
99 HB3 PHE 11 3HB PHE 11 2.673 -11.787 7.297
100 HD1 PHE 11 HD1 PHE 11 5.771 -12.305 7.699
101 HD2 PHE 11 HD2 PHE 11 3.374 -8.862 6.979
102 HE1 PHE 11 HE1 PHE 11 7.451 -10.904 8.826
103 HE2 PHE 11 HE2 PHE 11 5.050 -7.456 8.104
104 HZ PHE 11 HZ PHE 11 7.092 -8.476 9.029
105 H GLY 12 H GLY 12 3.066 -12.849 3.636
106 HA2 GLY 12 2HA GLY 12 0.575 -14.019 3.987
107 HA3 GLY 12 3HA GLY 12 1.487 -14.054 2.485
Start of MODEL 6
1 H1 TRP 1 H TRP 1 1.912 0.019 0.955
2 HA TRP 1 HA TRP 1 1.484 -0.304 -1.925
3 HB2 TRP 1 2HB TRP 1 3.096 1.441 -2.457
4 HB3 TRP 1 3HB TRP 1 1.785 2.112 -1.490
5 HD1 TRP 1 HD1 TRP 1 5.476 1.945 -1.636
6 HE1 TRP 1 HE1 TRP 1 6.507 2.893 0.524
7 HE3 TRP 1 HE3 TRP 1 1.268 2.124 1.263
8 HZ2 TRP 1 HZ2 TRP 1 5.651 3.619 3.113
9 HZ3 TRP 1 HZ3 TRP 1 1.460 2.958 3.570
10 HH2 TRP 1 HH2 TRP 1 3.607 3.689 4.474
11 H LYS 2 H LYS 2 4.437 0.317 -2.209
12 HA LYS 2 HA LYS 2 5.420 -2.272 -2.267
13 HB2 LYS 2 2HB LYS 2 6.942 -1.112 -3.426
14 HB3 LYS 2 3HB LYS 2 6.470 0.395 -2.652
15 HG2 LYS 2 2HG LYS 2 8.171 -1.520 -1.139
16 HG3 LYS 2 3HG LYS 2 8.902 -0.546 -2.416
17 HD2 LYS 2 2HD LYS 2 7.159 0.887 -0.508
18 HD3 LYS 2 3HD LYS 2 8.685 0.275 0.134
19 HE2 LYS 2 2HE LYS 2 8.889 2.576 -0.699
20 HE3 LYS 2 3HE LYS 2 9.915 1.455 -1.592
21 HZ1 LYS 2 3HZ LYS 2 7.238 2.331 -2.525
22 HZ2 LYS 2 1HZ LYS 2 8.391 1.454 -3.398
23 HZ3 LYS 2 2HZ LYS 2 8.685 3.070 -2.997
24 H LEU 3 H LEU 3 5.472 0.087 0.333
25 HA LEU 3 HA LEU 3 7.245 -1.407 2.009
26 HB2 LEU 3 2HB LEU 3 7.002 1.014 2.214
27 HB3 LEU 3 3HB LEU 3 5.314 0.811 2.679
28 HG LEU 3 HG LEU 3 7.103 1.283 4.496
29 HD11 LEU 3 1HD1 LEU 3 5.451 0.735 5.874
30 HD12 LEU 3 2HD1 LEU 3 5.627 -0.980 5.506
31 HD13 LEU 3 3HD1 LEU 3 4.614 0.041 4.486
32 HD21 LEU 3 3HD2 LEU 3 8.722 -0.374 3.933
33 HD22 LEU 3 1HD2 LEU 3 7.509 -1.655 3.970
34 HD23 LEU 3 2HD2 LEU 3 7.986 -0.850 5.465
35 H LEU 4 H LEU 4 3.980 -1.716 1.185
36 HA LEU 4 HA LEU 4 3.308 -3.122 3.665
37 HB2 LEU 4 2HB LEU 4 1.742 -1.920 1.440
38 HB3 LEU 4 3HB LEU 4 1.033 -3.269 2.325
39 HG LEU 4 HG LEU 4 0.211 -1.203 3.235
40 HD11 LEU 4 1HD1 LEU 4 0.252 -2.188 5.217
41 HD12 LEU 4 2HD1 LEU 4 1.878 -1.564 5.492
42 HD13 LEU 4 3HD1 LEU 4 1.656 -3.140 4.733
43 HD21 LEU 4 3HD2 LEU 4 1.426 0.651 3.379
44 HD22 LEU 4 1HD2 LEU 4 2.756 -0.227 2.623
45 HD23 LEU 4 2HD2 LEU 4 2.634 -0.153 4.382
46 H SER 5 H SER 5 3.734 -3.625 0.217
47 HA SER 5 HA SER 5 2.888 -6.380 0.322
48 HB2 SER 5 2HB SER 5 4.344 -4.942 -1.907
49 HB3 SER 5 3HB SER 5 3.448 -6.455 -2.032
50 HG SER 5 HG SER 5 2.346 -3.928 -1.353
51 H LYS 6 H LYS 6 5.901 -4.596 0.376
52 HA LYS 6 HA LYS 6 7.632 -6.797 -0.058
53 HB2 LYS 6 2HB LYS 6 8.604 -4.695 -0.409
54 HB3 LYS 6 3HB LYS 6 7.985 -4.051 1.105
55 HG2 LYS 6 2HG LYS 6 9.782 -6.306 1.488
56 HG3 LYS 6 3HG LYS 6 10.538 -4.947 0.652
57 HD2 LYS 6 2HD LYS 6 8.937 -4.015 2.857
58 HD3 LYS 6 3HD LYS 6 10.099 -5.226 3.405
59 HE2 LYS 6 2HE LYS 6 11.864 -3.926 2.163
60 HE3 LYS 6 3HE LYS 6 10.660 -2.659 1.932
61 HZ1 LYS 6 3HZ LYS 6 10.501 -2.344 4.269
62 HZ2 LYS 6 1HZ LYS 6 12.147 -2.330 3.877
63 HZ3 LYS 6 2HZ LYS 6 11.459 -3.700 4.593
64 H ALA 7 H ALA 7 6.326 -5.288 2.861
65 HA ALA 7 HA ALA 7 7.766 -7.064 4.618
66 HB1 ALA 7 1HB ALA 7 6.199 -5.988 6.350
67 HB2 ALA 7 2HB ALA 7 7.399 -4.965 5.559
68 HB3 ALA 7 3HB ALA 7 5.716 -4.918 5.034
69 H GLN 8 H GLN 8 4.514 -6.815 3.297
70 HA GLN 8 HA GLN 8 3.435 -8.915 4.920
71 HB2 GLN 8 2HB GLN 8 1.962 -7.198 4.053
72 HB3 GLN 8 3HB GLN 8 2.409 -7.601 2.400
73 HG2 GLN 8 2HG GLN 8 1.012 -9.353 2.308
74 HG3 GLN 8 3HG GLN 8 1.328 -9.828 3.976
75 HE21 GLN 8 1HE2 GLN 8 -0.739 -10.091 4.640
76 HE22 GLN 8 2HE2 GLN 8 -1.898 -8.813 4.726
77 H GLU 9 H GLU 9 5.074 -8.717 1.863
78 HA GLU 9 HA GLU 9 4.293 -11.058 0.620
79 HB2 GLU 9 2HB GLU 9 5.704 -9.608 -0.594
80 HB3 GLU 9 3HB GLU 9 6.925 -9.601 0.671
81 HG2 GLU 9 2HG GLU 9 7.712 -11.710 0.097
82 HG3 GLU 9 3HG GLU 9 6.246 -12.120 -0.792
83 H LYS 10 H LYS 10 6.637 -10.592 3.211
84 HA LYS 10 HA LYS 10 7.291 -13.425 3.261
85 HB2 LYS 10 2HB LYS 10 8.859 -12.812 5.049
86 HB3 LYS 10 3HB LYS 10 9.090 -11.816 3.618
87 HG2 LYS 10 2HG LYS 10 7.227 -10.641 5.516
88 HG3 LYS 10 3HG LYS 10 8.832 -10.913 6.199
89 HD2 LYS 10 2HD LYS 10 9.418 -9.870 3.737
90 HD3 LYS 10 3HD LYS 10 7.947 -8.997 4.170
91 HE2 LYS 10 2HE LYS 10 10.478 -9.192 5.798
92 HE3 LYS 10 3HE LYS 10 9.886 -7.772 4.937
93 HZ1 LYS 10 3HZ LYS 10 8.895 -7.229 6.834
94 HZ2 LYS 10 1HZ LYS 10 9.173 -8.748 7.525
95 HZ3 LYS 10 2HZ LYS 10 7.811 -8.497 6.555
96 H PHE 11 H PHE 11 4.628 -12.030 4.089
97 HA PHE 11 HA PHE 11 4.379 -13.428 6.672
98 HB2 PHE 11 2HB PHE 11 2.947 -10.937 5.725
99 HB3 PHE 11 3HB PHE 11 2.559 -11.805 7.206
100 HD1 PHE 11 HD1 PHE 11 5.601 -12.449 7.712
101 HD2 PHE 11 HD2 PHE 11 3.393 -8.891 6.950
102 HE1 PHE 11 HE1 PHE 11 7.298 -11.141 8.921
103 HE2 PHE 11 HE2 PHE 11 5.086 -7.577 8.158
104 HZ PHE 11 HZ PHE 11 7.042 -8.702 9.145
105 H GLY 12 H GLY 12 2.955 -12.746 3.546
106 HA2 GLY 12 2HA GLY 12 0.724 -14.565 4.130
107 HA3 GLY 12 3HA GLY 12 0.816 -13.458 2.768
Start of MODEL 7
1 H1 TRP 1 H TRP 1 1.897 0.071 1.039
2 HA TRP 1 HA TRP 1 1.431 -0.219 -1.840
3 HB2 TRP 1 2HB TRP 1 3.039 1.530 -2.371
4 HB3 TRP 1 3HB TRP 1 1.742 2.191 -1.380
5 HD1 TRP 1 HD1 TRP 1 5.430 2.021 -1.575
6 HE1 TRP 1 HE1 TRP 1 6.491 2.942 0.582
7 HE3 TRP 1 HE3 TRP 1 1.261 2.173 1.379
8 HZ2 TRP 1 HZ2 TRP 1 5.669 3.639 3.190
9 HZ3 TRP 1 HZ3 TRP 1 1.483 2.979 3.693
10 HH2 TRP 1 HH2 TRP 1 3.643 3.696 4.578
11 H LYS 2 H LYS 2 4.381 0.401 -2.154
12 HA LYS 2 HA LYS 2 5.360 -2.188 -2.255
13 HB2 LYS 2 2HB LYS 2 6.868 -1.017 -3.420
14 HB3 LYS 2 3HB LYS 2 6.409 0.482 -2.623
15 HG2 LYS 2 2HG LYS 2 8.127 -1.454 -1.154
16 HG3 LYS 2 3HG LYS 2 8.842 -0.465 -2.429
17 HD2 LYS 2 2HD LYS 2 7.126 0.947 -0.482
18 HD3 LYS 2 3HD LYS 2 8.658 0.324 0.135
19 HE2 LYS 2 2HE LYS 2 8.849 2.638 -0.677
20 HE3 LYS 2 3HE LYS 2 9.872 1.525 -1.584
21 HZ1 LYS 2 3HZ LYS 2 8.633 3.150 -2.971
22 HZ2 LYS 2 1HZ LYS 2 7.189 2.407 -2.494
23 HZ3 LYS 2 2HZ LYS 2 8.336 1.535 -3.381
24 H LEU 3 H LEU 3 5.448 0.140 0.372
25 HA LEU 3 HA LEU 3 7.240 -1.375 2.007
26 HB2 LEU 3 2HB LEU 3 7.003 1.043 2.243
27 HB3 LEU 3 3HB LEU 3 5.321 0.836 2.728
28 HG LEU 3 HG LEU 3 7.135 1.286 4.527
29 HD11 LEU 3 1HD1 LEU 3 5.501 0.723 5.921
30 HD12 LEU 3 2HD1 LEU 3 5.668 -0.988 5.529
31 HD13 LEU 3 3HD1 LEU 3 4.644 0.047 4.535
32 HD21 LEU 3 3HD2 LEU 3 8.743 -0.368 3.923
33 HD22 LEU 3 1HD2 LEU 3 7.529 -1.647 3.961
34 HD23 LEU 3 2HD2 LEU 3 8.027 -0.860 5.459
35 H LEU 4 H LEU 4 3.965 -1.672 1.221
36 HA LEU 4 HA LEU 4 3.323 -3.107 3.693
37 HB2 LEU 4 2HB LEU 4 1.730 -1.875 1.504
38 HB3 LEU 4 3HB LEU 4 1.031 -3.233 2.384
39 HG LEU 4 HG LEU 4 0.225 -1.178 3.330
40 HD11 LEU 4 1HD1 LEU 4 1.688 -3.133 4.784
41 HD12 LEU 4 2HD1 LEU 4 0.296 -2.182 5.302
42 HD13 LEU 4 3HD1 LEU 4 1.929 -1.566 5.557
43 HD21 LEU 4 3HD2 LEU 4 1.443 0.674 3.472
44 HD22 LEU 4 1HD2 LEU 4 2.763 -0.198 2.693
45 HD23 LEU 4 2HD2 LEU 4 2.663 -0.140 4.453
46 H SER 5 H SER 5 3.703 -3.566 0.233
47 HA SER 5 HA SER 5 2.851 -6.321 0.313
48 HB2 SER 5 2HB SER 5 4.290 -4.865 -1.915
49 HB3 SER 5 3HB SER 5 3.376 -6.367 -2.047
50 HG SER 5 HG SER 5 2.024 -4.758 -2.711
51 H LYS 6 H LYS 6 5.871 -4.546 0.351
52 HA LYS 6 HA LYS 6 7.588 -6.750 -0.128
53 HB2 LYS 6 2HB LYS 6 8.561 -4.647 -0.475
54 HB3 LYS 6 3HB LYS 6 7.968 -4.015 1.055
55 HG2 LYS 6 2HG LYS 6 9.759 -6.280 1.394
56 HG3 LYS 6 3HG LYS 6 10.511 -4.924 0.550
57 HD2 LYS 6 2HD LYS 6 10.538 -3.644 2.394
58 HD3 LYS 6 3HD LYS 6 8.913 -4.139 2.873
59 HE2 LYS 6 2HE LYS 6 10.203 -6.417 3.379
60 HE3 LYS 6 3HE LYS 6 11.549 -5.297 3.584
61 HZ1 LYS 6 3HZ LYS 6 9.814 -4.029 5.037
62 HZ2 LYS 6 1HZ LYS 6 10.682 -5.330 5.680
63 HZ3 LYS 6 2HZ LYS 6 9.089 -5.552 5.159
64 H ALA 7 H ALA 7 6.328 -5.260 2.821
65 HA ALA 7 HA ALA 7 7.787 -7.048 4.547
66 HB1 ALA 7 1HB ALA 7 7.264 -5.597 6.155
67 HB2 ALA 7 2HB ALA 7 6.590 -4.584 4.879
68 HB3 ALA 7 3HB ALA 7 5.543 -5.680 5.781
69 H GLN 8 H GLN 8 4.516 -6.795 3.271
70 HA GLN 8 HA GLN 8 3.455 -8.903 4.888
71 HB2 GLN 8 2HB GLN 8 1.960 -7.211 4.037
72 HB3 GLN 8 3HB GLN 8 2.425 -7.573 2.380
73 HG2 GLN 8 2HG GLN 8 1.011 -9.294 2.229
74 HG3 GLN 8 3HG GLN 8 1.387 -9.874 3.850
75 HE21 GLN 8 1HE2 GLN 8 -0.939 -8.499 1.924
76 HE22 GLN 8 2HE2 GLN 8 -2.002 -7.913 3.153
77 H GLU 9 H GLU 9 5.019 -8.691 1.778
78 HA GLU 9 HA GLU 9 4.257 -11.063 0.586
79 HB2 GLU 9 2HB GLU 9 5.596 -9.571 -0.673
80 HB3 GLU 9 3HB GLU 9 6.868 -9.565 0.540
81 HG2 GLU 9 2HG GLU 9 7.610 -11.701 -0.061
82 HG3 GLU 9 3HG GLU 9 6.134 -12.054 -0.958
83 H LYS 10 H LYS 10 6.726 -10.514 3.052
84 HA LYS 10 HA LYS 10 7.371 -13.353 3.139
85 HB2 LYS 10 2HB LYS 10 9.140 -12.742 4.657
86 HB3 LYS 10 3HB LYS 10 9.163 -11.633 3.292
87 HG2 LYS 10 2HG LYS 10 7.514 -10.642 5.454
88 HG3 LYS 10 3HG LYS 10 9.171 -10.960 5.973
89 HD2 LYS 10 2HD LYS 10 9.638 -9.717 3.627
90 HD3 LYS 10 3HD LYS 10 8.121 -8.941 4.092
91 HE2 LYS 10 2HE LYS 10 10.569 -9.141 5.844
92 HE3 LYS 10 3HE LYS 10 10.129 -7.728 4.887
93 HZ1 LYS 10 3HZ LYS 10 9.158 -7.144 6.824
94 HZ2 LYS 10 1HZ LYS 10 8.956 -8.738 7.354
95 HZ3 LYS 10 2HZ LYS 10 7.882 -8.080 6.225
96 H PHE 11 H PHE 11 4.812 -11.856 4.143
97 HA PHE 11 HA PHE 11 4.789 -13.022 6.845
98 HB2 PHE 11 2HB PHE 11 3.108 -10.817 5.640
99 HB3 PHE 11 3HB PHE 11 2.806 -11.525 7.224
100 HD1 PHE 11 HD1 PHE 11 6.129 -11.749 7.224
101 HD2 PHE 11 HD2 PHE 11 3.156 -8.705 7.121
102 HE1 PHE 11 HE1 PHE 11 7.720 -10.166 8.233
103 HE2 PHE 11 HE2 PHE 11 4.743 -7.117 8.128
104 HZ PHE 11 HZ PHE 11 7.028 -7.846 8.685
105 H GLY 12 H GLY 12 3.261 -13.024 3.717
106 HA2 GLY 12 2HA GLY 12 1.034 -14.663 4.602
107 HA3 GLY 12 3HA GLY 12 1.350 -14.128 2.958
Start of MODEL 8
1 H1 TRP 1 H TRP 1 1.808 0.046 0.949
2 HA TRP 1 HA TRP 1 1.365 -0.231 -1.936
3 HB2 TRP 1 2HB TRP 1 2.984 1.515 -2.441
4 HB3 TRP 1 3HB TRP 1 1.683 2.174 -1.454
5 HD1 TRP 1 HD1 TRP 1 5.374 1.978 -1.619
6 HE1 TRP 1 HE1 TRP 1 6.422 2.879 0.552
7 HE3 TRP 1 HE3 TRP 1 1.178 2.149 1.297
8 HZ2 TRP 1 HZ2 TRP 1 5.581 3.571 3.156
9 HZ3 TRP 1 HZ3 TRP 1 1.386 2.943 3.616
10 HH2 TRP 1 HH2 TRP 1 3.543 3.638 4.525
11 H LYS 2 H LYS 2 4.318 0.375 -2.227
12 HA LYS 2 HA LYS 2 5.286 -2.217 -2.338
13 HB2 LYS 2 2HB LYS 2 6.942 -1.153 -3.386
14 HB3 LYS 2 3HB LYS 2 6.282 0.386 -2.850
15 HG2 LYS 2 2HG LYS 2 7.951 -1.145 -0.934
16 HG3 LYS 2 3HG LYS 2 8.756 -0.354 -2.292
17 HD2 LYS 2 2HD LYS 2 7.531 1.754 -1.626
18 HD3 LYS 2 3HD LYS 2 7.060 0.912 -0.148
19 HE2 LYS 2 2HE LYS 2 9.923 1.200 -1.031
20 HE3 LYS 2 3HE LYS 2 9.117 2.378 0.004
21 HZ1 LYS 2 3HZ LYS 2 10.084 -0.276 0.633
22 HZ2 LYS 2 1HZ LYS 2 8.563 0.094 1.275
23 HZ3 LYS 2 2HZ LYS 2 9.894 1.074 1.634
24 H LEU 3 H LEU 3 5.361 0.088 0.308
25 HA LEU 3 HA LEU 3 7.139 -1.438 1.946
26 HB2 LEU 3 2HB LEU 3 6.895 0.972 2.215
27 HB3 LEU 3 3HB LEU 3 5.203 0.762 2.659
28 HG LEU 3 HG LEU 3 6.961 1.194 4.508
29 HD11 LEU 3 1HD1 LEU 3 5.491 -1.125 5.417
30 HD12 LEU 3 2HD1 LEU 3 4.486 -0.050 4.447
31 HD13 LEU 3 3HD1 LEU 3 5.321 0.571 5.871
32 HD21 LEU 3 3HD2 LEU 3 7.417 -1.719 3.898
33 HD22 LEU 3 1HD2 LEU 3 7.856 -0.959 5.428
34 HD23 LEU 3 2HD2 LEU 3 8.611 -0.420 3.927
35 H LEU 4 H LEU 4 3.828 -1.661 1.180
36 HA LEU 4 HA LEU 4 3.187 -3.153 3.611
37 HB2 LEU 4 2HB LEU 4 1.607 -1.913 1.415
38 HB3 LEU 4 3HB LEU 4 0.904 -3.270 2.292
39 HG LEU 4 HG LEU 4 0.091 -1.222 3.239
40 HD11 LEU 4 1HD1 LEU 4 1.542 -3.172 4.694
41 HD12 LEU 4 2HD1 LEU 4 0.176 -2.193 5.227
42 HD13 LEU 4 3HD1 LEU 4 1.823 -1.607 5.456
43 HD21 LEU 4 3HD2 LEU 4 2.498 -0.147 4.368
44 HD22 LEU 4 1HD2 LEU 4 1.299 0.636 3.340
45 HD23 LEU 4 2HD2 LEU 4 2.645 -0.242 2.613
46 H SER 5 H SER 5 3.619 -3.583 0.157
47 HA SER 5 HA SER 5 2.755 -6.335 0.194
48 HB2 SER 5 2HB SER 5 4.252 -4.880 -1.996
49 HB3 SER 5 3HB SER 5 3.308 -6.361 -2.154
50 HG SER 5 HG SER 5 2.350 -4.152 -2.709
51 H LYS 6 H LYS 6 5.801 -4.576 0.204
52 HA LYS 6 HA LYS 6 7.476 -6.837 -0.181
53 HB2 LYS 6 2HB LYS 6 9.281 -5.396 0.238
54 HB3 LYS 6 3HB LYS 6 8.060 -4.359 -0.486
55 HG2 LYS 6 2HG LYS 6 7.392 -3.695 1.844
56 HG3 LYS 6 3HG LYS 6 8.826 -4.553 2.414
57 HD2 LYS 6 2HD LYS 6 8.881 -2.331 0.375
58 HD3 LYS 6 3HD LYS 6 9.150 -2.095 2.103
59 HE2 LYS 6 2HE LYS 6 10.814 -4.225 1.250
60 HE3 LYS 6 3HE LYS 6 11.004 -2.905 0.097
61 HZ1 LYS 6 3HZ LYS 6 12.569 -2.485 1.753
62 HZ2 LYS 6 1HZ LYS 6 11.507 -2.882 3.009
63 HZ3 LYS 6 2HZ LYS 6 11.290 -1.448 2.141
64 H ALA 7 H ALA 7 6.094 -5.278 2.643
65 HA ALA 7 HA ALA 7 7.619 -6.900 4.492
66 HB1 ALA 7 1HB ALA 7 5.616 -5.728 5.963
67 HB2 ALA 7 2HB ALA 7 7.225 -5.057 5.689
68 HB3 ALA 7 3HB ALA 7 5.880 -4.570 4.658
69 H GLN 8 H GLN 8 4.357 -6.795 3.171
70 HA GLN 8 HA GLN 8 3.355 -8.867 4.882
71 HB2 GLN 8 2HB GLN 8 1.800 -7.247 4.019
72 HB3 GLN 8 3HB GLN 8 2.264 -7.610 2.362
73 HG2 GLN 8 2HG GLN 8 0.948 -9.425 2.249
74 HG3 GLN 8 3HG GLN 8 1.271 -9.896 3.917
75 HE21 GLN 8 1HE2 GLN 8 -1.070 -8.903 1.874
76 HE22 GLN 8 2HE2 GLN 8 -2.172 -8.194 3.000
77 H GLU 9 H GLU 9 4.847 -8.700 1.729
78 HA GLU 9 HA GLU 9 4.128 -11.128 0.626
79 HB2 GLU 9 2HB GLU 9 5.397 -9.619 -0.696
80 HB3 GLU 9 3HB GLU 9 6.706 -9.576 0.477
81 HG2 GLU 9 2HG GLU 9 7.562 -11.592 -0.191
82 HG3 GLU 9 3HG GLU 9 6.014 -12.168 -0.806
83 H LYS 10 H LYS 10 6.642 -10.437 3.011
84 HA LYS 10 HA LYS 10 7.333 -13.267 3.181
85 HB2 LYS 10 2HB LYS 10 9.090 -12.485 4.759
86 HB3 LYS 10 3HB LYS 10 9.197 -11.738 3.170
87 HG2 LYS 10 2HG LYS 10 9.253 -9.771 4.182
88 HG3 LYS 10 3HG LYS 10 7.576 -10.033 4.667
89 HD2 LYS 10 2HD LYS 10 8.901 -9.502 6.614
90 HD3 LYS 10 3HD LYS 10 8.385 -11.187 6.701
91 HE2 LYS 10 2HE LYS 10 10.535 -11.967 6.072
92 HE3 LYS 10 3HE LYS 10 11.063 -10.349 5.613
93 HZ1 LYS 10 3HZ LYS 10 10.724 -9.745 8.020
94 HZ2 LYS 10 1HZ LYS 10 12.021 -10.783 7.696
95 HZ3 LYS 10 2HZ LYS 10 10.584 -11.401 8.338
96 H PHE 11 H PHE 11 4.783 -11.843 4.195
97 HA PHE 11 HA PHE 11 4.925 -12.767 6.985
98 HB2 PHE 11 2HB PHE 11 3.136 -10.749 5.633
99 HB3 PHE 11 3HB PHE 11 2.792 -11.394 7.234
100 HD1 PHE 11 HD2 PHE 11 6.168 -11.428 7.244
101 HD2 PHE 11 HD1 PHE 11 2.977 -8.612 7.155
102 HE1 PHE 11 HE2 PHE 11 7.643 -9.730 8.242
103 HE2 PHE 11 HE1 PHE 11 4.448 -6.909 8.151
104 HZ PHE 11 HZ PHE 11 6.783 -7.468 8.697
105 H GLY 12 H GLY 12 3.216 -13.085 3.948
106 HA2 GLY 12 2HA GLY 12 1.055 -14.651 4.936
107 HA3 GLY 12 3HA GLY 12 1.555 -14.519 3.257
Start of MODEL 9
1 H1 TRP 1 H TRP 1 1.676 0.127 0.987
2 HA TRP 1 HA TRP 1 1.143 -0.188 -1.877
3 HB2 TRP 1 2HB TRP 1 2.709 1.583 -2.459
4 HB3 TRP 1 3HB TRP 1 1.427 2.230 -1.440
5 HD1 TRP 1 HD1 TRP 1 5.111 2.118 -1.726
6 HE1 TRP 1 HE1 TRP 1 6.210 3.069 0.398
7 HE3 TRP 1 HE3 TRP 1 1.014 2.221 1.330
8 HZ2 TRP 1 HZ2 TRP 1 5.442 3.770 3.022
9 HZ3 TRP 1 HZ3 TRP 1 1.281 3.046 3.633
10 HH2 TRP 1 HH2 TRP 1 3.450 3.803 4.460
11 H LYS 2 H LYS 2 4.074 0.477 -2.269
12 HA LYS 2 HA LYS 2 5.092 -2.097 -2.378
13 HB2 LYS 2 2HB LYS 2 6.551 -0.910 -3.588
14 HB3 LYS 2 3HB LYS 2 6.088 0.587 -2.789
15 HG2 LYS 2 2HG LYS 2 7.873 -1.312 -1.353
16 HG3 LYS 2 3HG LYS 2 8.541 -0.320 -2.651
17 HD2 LYS 2 2HD LYS 2 6.851 1.078 -0.670
18 HD3 LYS 2 3HD LYS 2 8.407 0.482 -0.087
19 HE2 LYS 2 2HE LYS 2 8.093 2.148 -2.576
20 HE3 LYS 2 3HE LYS 2 8.406 2.836 -0.983
21 HZ1 LYS 2 3HZ LYS 2 10.374 1.177 -0.992
22 HZ2 LYS 2 1HZ LYS 2 10.509 2.631 -1.846
23 HZ3 LYS 2 2HZ LYS 2 10.168 1.195 -2.671
24 H LEU 3 H LEU 3 5.208 0.249 0.231
25 HA LEU 3 HA LEU 3 7.065 -1.226 1.830
26 HB2 LEU 3 2HB LEU 3 6.793 1.190 2.058
27 HB3 LEU 3 3HB LEU 3 5.128 0.958 2.585
28 HG LEU 3 HG LEU 3 6.977 1.449 4.336
29 HD11 LEU 3 1HD1 LEU 3 5.573 -0.841 5.388
30 HD12 LEU 3 2HD1 LEU 3 4.508 0.170 4.413
31 HD13 LEU 3 3HD1 LEU 3 5.386 0.870 5.773
32 HD21 LEU 3 3HD2 LEU 3 7.407 -1.479 3.777
33 HD22 LEU 3 1HD2 LEU 3 7.927 -0.676 5.259
34 HD23 LEU 3 2HD2 LEU 3 8.598 -0.180 3.705
35 H LEU 4 H LEU 4 3.776 -1.581 1.128
36 HA LEU 4 HA LEU 4 3.221 -3.012 3.624
37 HB2 LEU 4 2HB LEU 4 1.552 -1.817 1.471
38 HB3 LEU 4 3HB LEU 4 0.898 -3.181 2.376
39 HG LEU 4 HG LEU 4 0.083 -1.136 3.334
40 HD11 LEU 4 1HD1 LEU 4 1.616 -3.057 4.758
41 HD12 LEU 4 2HD1 LEU 4 0.228 -2.121 5.311
42 HD13 LEU 4 3HD1 LEU 4 1.859 -1.481 5.512
43 HD21 LEU 4 3HD2 LEU 4 2.528 -0.044 4.383
44 HD22 LEU 4 1HD2 LEU 4 1.270 0.738 3.425
45 HD23 LEU 4 2HD2 LEU 4 2.588 -0.117 2.621
46 H SER 5 H SER 5 3.519 -3.484 0.158
47 HA SER 5 HA SER 5 2.711 -6.250 0.270
48 HB2 SER 5 2HB SER 5 4.077 -4.782 -1.996
49 HB3 SER 5 3HB SER 5 3.186 -6.300 -2.101
50 HG SER 5 HG SER 5 1.394 -5.213 -2.205
51 H LYS 6 H LYS 6 5.707 -4.433 0.225
52 HA LYS 6 HA LYS 6 7.439 -6.621 -0.274
53 HB2 LYS 6 2HB LYS 6 8.377 -4.512 -0.673
54 HB3 LYS 6 3HB LYS 6 7.815 -3.867 0.864
55 HG2 LYS 6 2HG LYS 6 9.642 -6.105 1.188
56 HG3 LYS 6 3HG LYS 6 10.355 -4.753 0.304
57 HD2 LYS 6 2HD LYS 6 10.423 -3.451 2.129
58 HD3 LYS 6 3HD LYS 6 8.810 -3.943 2.652
59 HE2 LYS 6 2HE LYS 6 9.631 -5.439 4.091
60 HE3 LYS 6 3HE LYS 6 10.757 -6.085 2.898
61 HZ1 LYS 6 3HZ LYS 6 11.200 -4.137 4.984
62 HZ2 LYS 6 1HZ LYS 6 11.876 -3.721 3.490
63 HZ3 LYS 6 2HZ LYS 6 12.294 -5.183 4.229
64 H ALA 7 H ALA 7 6.231 -5.113 2.686
65 HA ALA 7 HA ALA 7 7.760 -6.853 4.399
66 HB1 ALA 7 1HB ALA 7 6.481 -5.782 6.223
67 HB2 ALA 7 2HB ALA 7 7.272 -4.618 5.160
68 HB3 ALA 7 3HB ALA 7 5.539 -4.910 5.014
69 H GLN 8 H GLN 8 4.465 -6.685 3.181
70 HA GLN 8 HA GLN 8 3.474 -8.786 4.853
71 HB2 GLN 8 2HB GLN 8 1.924 -7.145 4.016
72 HB3 GLN 8 3HB GLN 8 2.372 -7.501 2.353
73 HG2 GLN 8 2HG GLN 8 1.046 -9.308 2.238
74 HG3 GLN 8 3HG GLN 8 1.378 -9.790 3.901
75 HE21 GLN 8 1HE2 GLN 8 -0.822 -8.339 1.792
76 HE22 GLN 8 2HE2 GLN 8 -1.969 -7.798 2.964
77 H GLU 9 H GLU 9 4.942 -8.587 1.690
78 HA GLU 9 HA GLU 9 4.206 -11.029 0.601
79 HB2 GLU 9 2HB GLU 9 5.386 -9.482 -0.767
80 HB3 GLU 9 3HB GLU 9 6.745 -9.427 0.346
81 HG2 GLU 9 2HG GLU 9 7.388 -11.661 -0.233
82 HG3 GLU 9 3HG GLU 9 5.940 -11.867 -1.217
83 H LYS 10 H LYS 10 6.640 -10.282 3.016
84 HA LYS 10 HA LYS 10 7.578 -13.040 3.070
85 HB2 LYS 10 2HB LYS 10 9.329 -12.294 4.457
86 HB3 LYS 10 3HB LYS 10 9.097 -10.998 3.290
87 HG2 LYS 10 2HG LYS 10 9.056 -9.645 5.056
88 HG3 LYS 10 3HG LYS 10 7.426 -10.262 5.332
89 HD2 LYS 10 2HD LYS 10 8.071 -11.572 7.079
90 HD3 LYS 10 3HD LYS 10 9.677 -11.864 6.407
91 HE2 LYS 10 2HE LYS 10 8.831 -9.194 7.505
92 HE3 LYS 10 3HE LYS 10 9.563 -10.446 8.508
93 HZ1 LYS 10 3HZ LYS 10 11.572 -10.250 7.445
94 HZ2 LYS 10 1HZ LYS 10 11.040 -8.644 7.410
95 HZ3 LYS 10 2HZ LYS 10 10.904 -9.611 6.029
96 H PHE 11 H PHE 11 4.865 -11.849 4.062
97 HA PHE 11 HA PHE 11 4.934 -13.143 6.709
98 HB2 PHE 11 2HB PHE 11 3.254 -10.850 5.697
99 HB3 PHE 11 3HB PHE 11 2.865 -11.734 7.169
100 HD1 PHE 11 HD2 PHE 11 5.839 -12.154 7.942
101 HD2 PHE 11 HD1 PHE 11 3.562 -8.746 6.796
102 HE1 PHE 11 HE2 PHE 11 7.370 -10.708 9.214
103 HE2 PHE 11 HE1 PHE 11 5.090 -7.294 8.066
104 HZ PHE 11 HZ PHE 11 6.996 -8.275 9.278
105 H GLY 12 H GLY 12 3.290 -12.872 3.635
106 HA2 GLY 12 2HA GLY 12 1.127 -14.629 4.397
107 HA3 GLY 12 3HA GLY 12 1.441 -13.992 2.789
Start of MODEL 10
1 H1 TRP 1 H TRP 1 1.712 0.029 0.898
2 HA TRP 1 HA TRP 1 1.280 -0.335 -1.979
3 HB2 TRP 1 2HB TRP 1 2.854 1.438 -2.529
4 HB3 TRP 1 3HB TRP 1 1.535 2.090 -1.560
5 HD1 TRP 1 HD1 TRP 1 5.230 1.984 -1.721
6 HE1 TRP 1 HE1 TRP 1 6.253 2.970 0.426
7 HE3 TRP 1 HE3 TRP 1 1.030 2.125 1.190
8 HZ2 TRP 1 HZ2 TRP 1 5.393 3.708 3.011
9 HZ3 TRP 1 HZ3 TRP 1 1.215 2.984 3.488
10 HH2 TRP 1 HH2 TRP 1 3.353 3.759 4.378
11 H LYS 2 H LYS 2 4.215 0.337 -2.286
12 HA LYS 2 HA LYS 2 5.250 -2.231 -2.326
13 HB2 LYS 2 2HB LYS 2 6.880 -1.154 -3.401
14 HB3 LYS 2 3HB LYS 2 6.180 0.382 -2.906
15 HG2 LYS 2 2HG LYS 2 7.883 -1.051 -0.946
16 HG3 LYS 2 3HG LYS 2 8.672 -0.283 -2.326
17 HD2 LYS 2 2HD LYS 2 7.390 1.814 -1.726
18 HD3 LYS 2 3HD LYS 2 6.947 1.005 -0.220
19 HE2 LYS 2 2HE LYS 2 8.832 2.216 0.380
20 HE3 LYS 2 3HE LYS 2 9.489 0.615 0.042
21 HZ1 LYS 2 3HZ LYS 2 10.909 2.090 -1.044
22 HZ2 LYS 2 1HZ LYS 2 9.644 3.050 -1.626
23 HZ3 LYS 2 2HZ LYS 2 9.910 1.514 -2.281
24 H LEU 3 H LEU 3 5.274 0.151 0.255
25 HA LEU 3 HA LEU 3 7.084 -1.285 1.935
26 HB2 LEU 3 2HB LEU 3 6.777 1.123 2.139
27 HB3 LEU 3 3HB LEU 3 5.090 0.880 2.588
28 HG LEU 3 HG LEU 3 6.830 1.410 4.426
29 HD11 LEU 3 1HD1 LEU 3 5.210 0.769 5.807
30 HD12 LEU 3 2HD1 LEU 3 5.428 -0.931 5.391
31 HD13 LEU 3 3HD1 LEU 3 4.393 0.094 4.397
32 HD21 LEU 3 3HD2 LEU 3 7.371 -1.506 3.900
33 HD22 LEU 3 1HD2 LEU 3 7.794 -0.685 5.402
34 HD23 LEU 3 2HD2 LEU 3 8.527 -0.173 3.882
35 H LEU 4 H LEU 4 3.775 -1.604 1.182
36 HA LEU 4 HA LEU 4 3.170 -3.046 3.650
37 HB2 LEU 4 2HB LEU 4 1.566 -1.915 1.414
38 HB3 LEU 4 3HB LEU 4 0.897 -3.269 2.323
39 HG LEU 4 HG LEU 4 0.023 -1.214 3.206
40 HD11 LEU 4 1HD1 LEU 4 1.718 -1.495 5.456
41 HD12 LEU 4 2HD1 LEU 4 1.523 -3.088 4.725
42 HD13 LEU 4 3HD1 LEU 4 0.103 -2.158 5.206
43 HD21 LEU 4 3HD2 LEU 4 2.408 -0.068 4.327
44 HD22 LEU 4 1HD2 LEU 4 1.185 0.675 3.296
45 HD23 LEU 4 2HD2 LEU 4 2.546 -0.182 2.572
46 H SER 5 H SER 5 3.611 -3.571 0.208
47 HA SER 5 HA SER 5 2.837 -6.347 0.338
48 HB2 SER 5 2HB SER 5 4.262 -4.893 -1.902
49 HB3 SER 5 3HB SER 5 3.403 -6.429 -2.014
50 HG SER 5 HG SER 5 2.398 -4.093 -2.459
51 H LYS 6 H LYS 6 5.812 -4.487 0.337
52 HA LYS 6 HA LYS 6 7.597 -6.642 -0.061
53 HB2 LYS 6 2HB LYS 6 8.516 -4.519 -0.421
54 HB3 LYS 6 3HB LYS 6 7.873 -3.881 1.086
55 HG2 LYS 6 2HG LYS 6 9.732 -6.085 1.486
56 HG3 LYS 6 3HG LYS 6 10.452 -4.707 0.651
57 HD2 LYS 6 2HD LYS 6 10.402 -3.426 2.492
58 HD3 LYS 6 3HD LYS 6 8.777 -3.958 2.928
59 HE2 LYS 6 2HE LYS 6 10.035 -4.795 4.672
60 HE3 LYS 6 3HE LYS 6 9.968 -6.177 3.579
61 HZ1 LYS 6 3HZ LYS 6 12.152 -5.832 2.895
62 HZ2 LYS 6 1HZ LYS 6 12.214 -5.556 4.563
63 HZ3 LYS 6 2HZ LYS 6 12.206 -4.249 3.489
64 H ALA 7 H ALA 7 6.250 -5.152 2.850
65 HA ALA 7 HA ALA 7 7.733 -6.879 4.618
66 HB1 ALA 7 1HB ALA 7 7.224 -4.667 5.387
67 HB2 ALA 7 2HB ALA 7 5.498 -4.923 5.130
68 HB3 ALA 7 3HB ALA 7 6.346 -5.821 6.390
69 H GLN 8 H GLN 8 4.459 -6.706 3.324
70 HA GLN 8 HA GLN 8 3.430 -8.818 4.948
71 HB2 GLN 8 2HB GLN 8 1.914 -7.170 4.041
72 HB3 GLN 8 3HB GLN 8 2.405 -7.563 2.399
73 HG2 GLN 8 2HG GLN 8 1.093 -9.387 2.294
74 HG3 GLN 8 3HG GLN 8 1.349 -9.802 3.988
75 HE21 GLN 8 1HE2 GLN 8 -0.927 -8.931 1.854
76 HE22 GLN 8 2HE2 GLN 8 -2.053 -8.144 2.902
77 H GLU 9 H GLU 9 5.064 -8.627 1.879
78 HA GLU 9 HA GLU 9 4.365 -11.036 0.710
79 HB2 GLU 9 2HB GLU 9 5.690 -9.520 -0.546
80 HB3 GLU 9 3HB GLU 9 6.950 -9.490 0.679
81 HG2 GLU 9 2HG GLU 9 7.621 -10.769 -1.283
82 HG3 GLU 9 3HG GLU 9 7.550 -11.778 0.161
83 H LYS 10 H LYS 10 6.690 -10.385 3.271
84 HA LYS 10 HA LYS 10 7.516 -13.171 3.374
85 HB2 LYS 10 2HB LYS 10 9.108 -12.469 5.038
86 HB3 LYS 10 3HB LYS 10 9.150 -11.320 3.707
87 HG2 LYS 10 2HG LYS 10 7.258 -10.502 5.725
88 HG3 LYS 10 3HG LYS 10 8.866 -10.749 6.411
89 HD2 LYS 10 2HD LYS 10 8.263 -9.063 3.982
90 HD3 LYS 10 3HD LYS 10 8.497 -8.435 5.615
91 HE2 LYS 10 2HE LYS 10 10.661 -10.185 4.858
92 HE3 LYS 10 3HE LYS 10 10.455 -8.893 3.676
93 HZ1 LYS 10 3HZ LYS 10 10.731 -8.484 6.605
94 HZ2 LYS 10 1HZ LYS 10 10.630 -7.272 5.428
95 HZ3 LYS 10 2HZ LYS 10 11.979 -8.291 5.479
96 H PHE 11 H PHE 11 4.777 -11.893 4.193
97 HA PHE 11 HA PHE 11 4.601 -13.290 6.782
98 HB2 PHE 11 2HB PHE 11 3.062 -10.866 5.832
99 HB3 PHE 11 3HB PHE 11 2.709 -11.749 7.314
100 HD1 PHE 11 HD1 PHE 11 5.708 -12.280 7.931
101 HD2 PHE 11 HD2 PHE 11 3.484 -8.786 6.951
102 HE1 PHE 11 HE1 PHE 11 7.347 -10.902 9.143
103 HE2 PHE 11 HE2 PHE 11 5.119 -7.402 8.160
104 HZ PHE 11 HZ PHE 11 7.054 -8.459 9.258
105 H GLY 12 H GLY 12 3.132 -12.679 3.662
106 HA2 GLY 12 2HA GLY 12 0.805 -14.298 4.199
107 HA3 GLY 12 3HA GLY 12 1.260 -13.600 2.651
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