Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
579117 | 2mq5 RC | 25012 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 1.728 0.809 -1.857
3 HB2 LEU 1 2HB LEU 1 3.650 0.927 -0.131
4 HB3 LEU 1 3HB LEU 1 4.004 -0.720 -0.651
5 HG LEU 1 HG LEU 1 3.752 1.192 -2.855
6 HD11 LEU 1 1HD1 LEU 1 6.276 1.459 -1.312
7 HD12 LEU 1 2HD1 LEU 1 4.875 2.395 -0.791
8 HD13 LEU 1 3HD1 LEU 1 5.504 2.586 -2.427
9 HD21 LEU 1 3HD2 LEU 1 4.953 -1.286 -2.307
10 HD22 LEU 1 1HD2 LEU 1 6.271 -0.156 -2.618
11 HD23 LEU 1 2HD2 LEU 1 4.996 -0.374 -3.817
12 H TYR 2 H TYR 2 2.836 -0.560 -3.598
13 HA TYR 2 HA TYR 2 1.827 -3.325 -3.459
14 HB2 TYR 2 2HB TYR 2 1.859 -2.679 -6.154
15 HB3 TYR 2 3HB TYR 2 0.434 -2.758 -5.123
16 HD1 TYR 2 HD2 TYR 2 3.192 -0.313 -5.790
17 HD2 TYR 2 HD1 TYR 2 -0.985 -0.957 -5.295
18 HE1 TYR 2 HE2 TYR 2 2.782 2.079 -6.184
19 HE2 TYR 2 HE1 TYR 2 -1.406 1.433 -5.690
20 HH TYR 2 HH TYR 2 0.346 3.693 -5.340
21 H ARG 3 H ARG 3 3.460 -2.008 -6.232
22 HA ARG 3 HA ARG 3 6.110 -2.640 -5.591
23 HB2 ARG 3 2HB ARG 3 6.473 -4.782 -6.433
24 HB3 ARG 3 3HB ARG 3 4.953 -4.953 -5.567
25 HG2 ARG 3 2HG ARG 3 5.271 -4.603 -8.540
26 HG3 ARG 3 3HG ARG 3 4.868 -6.101 -7.699
27 HD2 ARG 3 2HD ARG 3 3.212 -3.581 -7.776
28 HD3 ARG 3 3HD ARG 3 2.868 -5.086 -8.628
29 HE ARG 3 HE ARG 3 3.090 -5.441 -5.797
30 HH11 ARG 3 1HH1 ARG 3 0.951 -4.484 -8.372
31 HH12 ARG 3 2HH1 ARG 3 -0.491 -4.884 -7.498
32 HH21 ARG 3 1HH2 ARG 3 1.199 -5.971 -4.637
33 HH22 ARG 3 2HH2 ARG 3 -0.348 -5.729 -5.374
34 H ARG 4 H ARG 4 4.093 -1.006 -7.265
35 HA ARG 4 HA ARG 4 5.698 -0.994 -9.737
36 HB2 ARG 4 2HB ARG 4 2.747 -0.597 -9.328
37 HB3 ARG 4 3HB ARG 4 3.560 0.059 -10.742
38 HG2 ARG 4 2HG ARG 4 3.554 -1.912 -11.754
39 HG3 ARG 4 3HG ARG 4 4.256 -2.709 -10.344
40 HD2 ARG 4 2HD ARG 4 2.012 -2.812 -9.324
41 HD3 ARG 4 3HD ARG 4 1.338 -2.086 -10.783
42 HE ARG 4 HE ARG 4 2.171 -4.817 -10.426
43 HH11 ARG 4 1HH1 ARG 4 1.573 -2.274 -12.727
44 HH12 ARG 4 2HH1 ARG 4 1.295 -3.358 -14.050
45 HH21 ARG 4 1HH2 ARG 4 1.806 -6.254 -12.159
46 HH22 ARG 4 2HH2 ARG 4 1.426 -5.622 -13.725
47 H ARG 5 H ARG 5 5.223 0.614 -6.963
48 HA ARG 5 HA ARG 5 4.669 3.227 -7.390
49 HB2 ARG 5 2HB ARG 5 6.153 3.787 -5.572
50 HB3 ARG 5 3HB ARG 5 5.382 2.246 -5.222
51 HG2 ARG 5 2HG ARG 5 7.669 1.462 -6.491
52 HG3 ARG 5 3HG ARG 5 8.200 2.893 -5.605
53 HD2 ARG 5 2HD ARG 5 7.019 1.861 -3.588
54 HD3 ARG 5 3HD ARG 5 6.969 0.373 -4.532
55 HE ARG 5 HE ARG 5 9.196 0.083 -4.113
56 HH11 ARG 5 1HH1 ARG 5 8.347 3.396 -3.462
57 HH12 ARG 5 2HH1 ARG 5 9.893 3.796 -2.789
58 HH21 ARG 5 1HH2 ARG 5 11.235 0.598 -3.229
59 HH22 ARG 5 2HH2 ARG 5 11.535 2.204 -2.658
60 H PHE 6 H PHE 6 7.559 1.523 -8.413
61 HA PHE 6 HA PHE 6 9.171 3.695 -9.096
62 HB2 PHE 6 2HB PHE 6 10.570 2.059 -9.707
63 HB3 PHE 6 3HB PHE 6 9.286 0.903 -9.370
64 HD1 PHE 6 HD2 PHE 6 7.548 0.589 -11.319
65 HD2 PHE 6 HD1 PHE 6 11.496 2.102 -11.807
66 HE1 PHE 6 HE2 PHE 6 7.491 -0.042 -13.696
67 HE2 PHE 6 HE1 PHE 6 11.446 1.474 -14.186
68 HZ PHE 6 HZ PHE 6 9.442 0.400 -15.133
69 H VAL 7 H VAL 7 6.790 1.932 -11.055
70 HA VAL 7 HA VAL 7 6.409 2.406 -13.383
71 HB VAL 7 HB VAL 7 4.629 4.315 -13.195
72 HG11 VAL 7 1HG1 VAL 7 4.353 1.760 -13.281
73 HG12 VAL 7 2HG1 VAL 7 4.086 1.875 -11.540
74 HG13 VAL 7 3HG1 VAL 7 3.015 2.723 -12.656
75 HG21 VAL 7 3HG2 VAL 7 4.340 3.673 -10.367
76 HG22 VAL 7 1HG2 VAL 7 5.793 4.607 -10.722
77 HG23 VAL 7 2HG2 VAL 7 4.210 5.225 -11.195
78 H VAL 8 H VAL 8 8.901 3.535 -12.955
79 HA VAL 8 HA VAL 8 9.087 6.299 -13.340
80 HB VAL 8 HB VAL 8 11.346 5.972 -13.968
81 HG11 VAL 8 1HG1 VAL 8 10.331 3.960 -11.998
82 HG12 VAL 8 2HG1 VAL 8 12.054 4.068 -12.366
83 HG13 VAL 8 3HG1 VAL 8 11.201 5.466 -11.708
84 HG21 VAL 8 3HG2 VAL 8 11.972 3.398 -14.381
85 HG22 VAL 8 1HG2 VAL 8 10.336 3.409 -15.038
86 HG23 VAL 8 2HG2 VAL 8 11.553 4.508 -15.686
87 H GLY 9 H GLY 9 7.263 4.559 -15.176
88 HA2 GLY 9 2HA GLY 9 8.275 5.364 -17.795
89 HA3 GLY 9 3HA GLY 9 6.878 4.342 -17.489
90 H ARG 10 H ARG 10 7.477 7.465 -15.982
91 HA ARG 10 HA ARG 10 4.983 8.436 -17.175
92 HB2 ARG 10 2HB ARG 10 6.461 9.891 -15.016
93 HB3 ARG 10 3HB ARG 10 4.735 9.848 -15.348
94 HG2 ARG 10 2HG ARG 10 6.334 7.547 -14.246
95 HG3 ARG 10 3HG ARG 10 5.354 8.657 -13.286
96 HD2 ARG 10 2HD ARG 10 3.710 7.735 -15.374
97 HD3 ARG 10 3HD ARG 10 4.554 6.322 -14.743
98 HE ARG 10 HE ARG 10 3.585 7.797 -12.578
99 HH11 ARG 10 1HH1 ARG 10 2.376 5.929 -15.255
100 HH12 ARG 10 2HH1 ARG 10 0.930 5.445 -14.433
101 HH21 ARG 10 1HH2 ARG 10 1.685 7.167 -11.485
102 HH22 ARG 10 2HH2 ARG 10 0.537 6.150 -12.289
Start of MODEL 2
1 H1 LEU 1 H LEU 1 1.237 -0.416 0.599
2 HA LEU 1 HA LEU 1 1.318 0.850 -2.059
3 HB2 LEU 1 2HB LEU 1 3.170 1.257 -0.302
4 HB3 LEU 1 3HB LEU 1 3.691 -0.378 -0.704
5 HG LEU 1 HG LEU 1 3.328 1.359 -3.033
6 HD11 LEU 1 1HD1 LEU 1 5.758 1.956 -1.425
7 HD12 LEU 1 2HD1 LEU 1 4.260 2.805 -1.047
8 HD13 LEU 1 3HD1 LEU 1 4.955 2.922 -2.663
9 HD21 LEU 1 3HD2 LEU 1 5.952 0.272 -2.653
10 HD22 LEU 1 1HD2 LEU 1 4.735 -0.143 -3.861
11 HD23 LEU 1 2HD2 LEU 1 4.737 -0.956 -2.296
12 H TYR 2 H TYR 2 2.600 -0.511 -3.683
13 HA TYR 2 HA TYR 2 1.851 -3.346 -3.392
14 HB2 TYR 2 2HB TYR 2 1.897 -2.869 -6.120
15 HB3 TYR 2 3HB TYR 2 0.457 -3.014 -5.119
16 HD1 TYR 2 HD1 TYR 2 2.999 -0.369 -5.872
17 HD2 TYR 2 HD2 TYR 2 -1.114 -1.369 -5.447
18 HE1 TYR 2 HE1 TYR 2 2.385 1.946 -6.432
19 HE2 TYR 2 HE2 TYR 2 -1.740 0.942 -6.008
20 HH TYR 2 HH TYR 2 0.725 3.371 -6.808
21 H ARG 3 H ARG 3 3.429 -2.056 -6.208
22 HA ARG 3 HA ARG 3 6.109 -2.387 -5.470
23 HB2 ARG 3 2HB ARG 3 6.697 -4.532 -6.196
24 HB3 ARG 3 3HB ARG 3 5.208 -4.790 -5.297
25 HG2 ARG 3 2HG ARG 3 5.424 -4.581 -8.293
26 HG3 ARG 3 3HG ARG 3 5.269 -6.079 -7.373
27 HD2 ARG 3 2HD ARG 3 3.151 -4.831 -6.395
28 HD3 ARG 3 3HD ARG 3 3.255 -3.961 -7.925
29 HE ARG 3 HE ARG 3 2.509 -5.839 -8.995
30 HH11 ARG 3 1HH1 ARG 3 3.616 -6.714 -5.813
31 HH12 ARG 3 2HH1 ARG 3 3.046 -8.346 -5.921
32 HH21 ARG 3 1HH2 ARG 3 1.754 -7.986 -9.150
33 HH22 ARG 3 2HH2 ARG 3 1.988 -9.069 -7.821
34 H ARG 4 H ARG 4 4.011 -1.044 -7.280
35 HA ARG 4 HA ARG 4 5.664 -1.052 -9.721
36 HB2 ARG 4 2HB ARG 4 2.680 -0.890 -9.392
37 HB3 ARG 4 3HB ARG 4 3.469 -0.258 -10.832
38 HG2 ARG 4 2HG ARG 4 3.657 -2.285 -11.710
39 HG3 ARG 4 3HG ARG 4 4.389 -2.924 -10.237
40 HD2 ARG 4 2HD ARG 4 2.447 -4.178 -10.438
41 HD3 ARG 4 3HD ARG 4 1.983 -2.909 -9.306
42 HE ARG 4 HE ARG 4 1.281 -1.896 -11.722
43 HH11 ARG 4 1HH1 ARG 4 0.605 -4.883 -10.066
44 HH12 ARG 4 2HH1 ARG 4 -0.948 -5.093 -10.806
45 HH21 ARG 4 1HH2 ARG 4 -0.761 -2.161 -12.702
46 HH22 ARG 4 2HH2 ARG 4 -1.723 -3.544 -12.306
47 H ARG 5 H ARG 5 4.967 0.682 -7.066
48 HA ARG 5 HA ARG 5 4.206 3.204 -7.682
49 HB2 ARG 5 2HB ARG 5 5.577 4.007 -5.866
50 HB3 ARG 5 3HB ARG 5 4.929 2.430 -5.434
51 HG2 ARG 5 2HG ARG 5 7.316 1.769 -6.586
52 HG3 ARG 5 3HG ARG 5 7.693 3.295 -5.783
53 HD2 ARG 5 2HD ARG 5 6.536 2.293 -3.735
54 HD3 ARG 5 3HD ARG 5 6.650 0.749 -4.579
55 HE ARG 5 HE ARG 5 8.896 0.703 -4.125
56 HH11 ARG 5 1HH1 ARG 5 7.670 3.909 -3.543
57 HH12 ARG 5 2HH1 ARG 5 9.134 4.477 -2.812
58 HH21 ARG 5 1HH2 ARG 5 10.829 1.440 -3.164
59 HH22 ARG 5 2HH2 ARG 5 10.930 3.072 -2.597
60 H PHE 6 H PHE 6 7.263 1.696 -8.511
61 HA PHE 6 HA PHE 6 8.705 3.952 -9.293
62 HB2 PHE 6 2HB PHE 6 10.258 2.409 -9.756
63 HB3 PHE 6 3HB PHE 6 9.067 1.169 -9.377
64 HD1 PHE 6 HD2 PHE 6 7.427 0.579 -11.346
65 HD2 PHE 6 HD1 PHE 6 11.246 2.397 -11.828
66 HE1 PHE 6 HE2 PHE 6 7.503 -0.205 -13.677
67 HE2 PHE 6 HE1 PHE 6 11.327 1.616 -14.160
68 HZ PHE 6 HZ PHE 6 9.455 0.312 -15.087
69 H VAL 7 H VAL 7 6.550 1.866 -11.194
70 HA VAL 7 HA VAL 7 6.205 2.153 -13.558
71 HB VAL 7 HB VAL 7 4.264 3.908 -13.546
72 HG11 VAL 7 1HG1 VAL 7 4.209 1.338 -13.468
73 HG12 VAL 7 2HG1 VAL 7 3.877 1.541 -11.747
74 HG13 VAL 7 3HG1 VAL 7 2.774 2.219 -12.945
75 HG21 VAL 7 3HG2 VAL 7 3.938 3.427 -10.691
76 HG22 VAL 7 1HG2 VAL 7 5.317 4.459 -11.068
77 HG23 VAL 7 2HG2 VAL 7 3.704 4.904 -11.624
78 H VAL 8 H VAL 8 8.577 3.521 -13.139
79 HA VAL 8 HA VAL 8 8.537 6.260 -13.704
80 HB VAL 8 HB VAL 8 10.836 6.093 -14.244
81 HG11 VAL 8 1HG1 VAL 8 9.932 4.129 -12.173
82 HG12 VAL 8 2HG1 VAL 8 11.651 4.367 -12.499
83 HG13 VAL 8 3HG1 VAL 8 10.658 5.722 -11.960
84 HG21 VAL 8 3HG2 VAL 8 11.699 3.566 -14.467
85 HG22 VAL 8 1HG2 VAL 8 10.089 3.384 -15.164
86 HG23 VAL 8 2HG2 VAL 8 11.223 4.545 -15.855
87 H GLY 9 H GLY 9 6.928 4.257 -15.467
88 HA2 GLY 9 2HA GLY 9 7.921 5.136 -18.092
89 HA3 GLY 9 3HA GLY 9 6.802 3.810 -17.815
90 H ARG 10 H ARG 10 6.646 7.084 -16.485
91 HA ARG 10 HA ARG 10 3.951 7.338 -17.575
92 HB2 ARG 10 2HB ARG 10 5.244 9.393 -15.820
93 HB3 ARG 10 3HB ARG 10 3.547 8.951 -15.949
94 HG2 ARG 10 2HG ARG 10 3.851 7.806 -14.070
95 HG3 ARG 10 3HG ARG 10 4.729 6.633 -15.054
96 HD2 ARG 10 2HD ARG 10 6.745 7.281 -14.264
97 HD3 ARG 10 3HD ARG 10 6.276 8.978 -14.163
98 HE ARG 10 HE ARG 10 4.964 7.381 -12.196
99 HH11 ARG 10 1HH1 ARG 10 7.951 8.996 -12.963
100 HH12 ARG 10 2HH1 ARG 10 8.417 9.201 -11.307
101 HH21 ARG 10 1HH2 ARG 10 5.566 7.646 -10.012
102 HH22 ARG 10 2HH2 ARG 10 7.060 8.432 -9.629
Start of MODEL 3
1 H1 LEU 1 H LEU 1 1.160 -0.253 0.559
2 HA LEU 1 HA LEU 1 1.162 0.697 -2.195
3 HB2 LEU 1 2HB LEU 1 2.912 1.244 -0.372
4 HB3 LEU 1 3HB LEU 1 3.553 -0.358 -0.732
5 HG LEU 1 HG LEU 1 3.170 1.325 -3.097
6 HD11 LEU 1 1HD1 LEU 1 4.654 3.005 -2.682
7 HD12 LEU 1 2HD1 LEU 1 5.502 2.101 -1.428
8 HD13 LEU 1 3HD1 LEU 1 3.939 2.839 -1.078
9 HD21 LEU 1 3HD2 LEU 1 4.696 -0.884 -2.275
10 HD22 LEU 1 1HD2 LEU 1 5.843 0.417 -2.598
11 HD23 LEU 1 2HD2 LEU 1 4.707 -0.088 -3.849
12 H TYR 2 H TYR 2 2.592 -0.601 -3.746
13 HA TYR 2 HA TYR 2 2.013 -3.474 -3.439
14 HB2 TYR 2 2HB TYR 2 2.141 -3.028 -6.171
15 HB3 TYR 2 3HB TYR 2 0.674 -3.258 -5.226
16 HD1 TYR 2 HD2 TYR 2 3.063 -0.460 -5.925
17 HD2 TYR 2 HD1 TYR 2 -0.989 -1.724 -5.632
18 HE1 TYR 2 HE2 TYR 2 2.319 1.802 -6.541
19 HE2 TYR 2 HE1 TYR 2 -1.744 0.534 -6.248
20 HH TYR 2 HH TYR 2 -0.677 2.949 -6.051
21 H ARG 3 H ARG 3 3.621 -2.118 -6.208
22 HA ARG 3 HA ARG 3 6.283 -2.274 -5.356
23 HB2 ARG 3 2HB ARG 3 7.031 -4.386 -5.994
24 HB3 ARG 3 3HB ARG 3 5.494 -4.734 -5.214
25 HG2 ARG 3 2HG ARG 3 5.982 -4.553 -8.180
26 HG3 ARG 3 3HG ARG 3 5.742 -6.030 -7.244
27 HD2 ARG 3 2HD ARG 3 3.740 -3.809 -7.639
28 HD3 ARG 3 3HD ARG 3 3.692 -5.405 -8.386
29 HE ARG 3 HE ARG 3 3.742 -5.511 -5.524
30 HH11 ARG 3 1HH1 ARG 3 1.697 -5.109 -8.312
31 HH12 ARG 3 2HH1 ARG 3 0.269 -5.670 -7.508
32 HH21 ARG 3 1HH2 ARG 3 1.869 -6.252 -4.454
33 HH22 ARG 3 2HH2 ARG 3 0.368 -6.319 -5.313
34 H ARG 4 H ARG 4 4.166 -1.105 -7.279
35 HA ARG 4 HA ARG 4 5.928 -1.013 -9.640
36 HB2 ARG 4 2HB ARG 4 2.929 -1.069 -9.449
37 HB3 ARG 4 3HB ARG 4 3.733 -0.392 -10.859
38 HG2 ARG 4 2HG ARG 4 4.111 -2.406 -11.704
39 HG3 ARG 4 3HG ARG 4 4.820 -2.977 -10.191
40 HD2 ARG 4 2HD ARG 4 2.988 -4.374 -10.465
41 HD3 ARG 4 3HD ARG 4 2.376 -3.131 -9.374
42 HE ARG 4 HE ARG 4 1.700 -2.181 -11.807
43 HH11 ARG 4 1HH1 ARG 4 1.238 -5.258 -10.245
44 HH12 ARG 4 2HH1 ARG 4 -0.240 -5.606 -11.079
45 HH21 ARG 4 1HH2 ARG 4 -0.245 -2.628 -12.911
46 HH22 ARG 4 2HH2 ARG 4 -1.083 -4.110 -12.595
47 H ARG 5 H ARG 5 5.008 0.691 -7.043
48 HA ARG 5 HA ARG 5 4.084 3.143 -7.715
49 HB2 ARG 5 2HB ARG 5 5.328 4.064 -5.864
50 HB3 ARG 5 3HB ARG 5 4.785 2.447 -5.435
51 HG2 ARG 5 2HG ARG 5 7.252 1.955 -6.497
52 HG3 ARG 5 3HG ARG 5 7.488 3.514 -5.703
53 HD2 ARG 5 2HD ARG 5 6.344 2.453 -3.680
54 HD3 ARG 5 3HD ARG 5 6.592 0.912 -4.499
55 HE ARG 5 HE ARG 5 8.560 2.468 -3.137
56 HH11 ARG 5 1HH1 ARG 5 8.063 0.232 -5.759
57 HH12 ARG 5 2HH1 ARG 5 9.690 -0.363 -5.733
58 HH21 ARG 5 1HH2 ARG 5 10.705 1.693 -3.093
59 HH22 ARG 5 2HH2 ARG 5 11.192 0.468 -4.215
60 H PHE 6 H PHE 6 7.271 1.861 -8.421
61 HA PHE 6 HA PHE 6 8.569 4.209 -9.183
62 HB2 PHE 6 2HB PHE 6 10.246 2.782 -9.574
63 HB3 PHE 6 3HB PHE 6 9.138 1.460 -9.220
64 HD1 PHE 6 HD1 PHE 6 7.615 0.732 -11.236
65 HD2 PHE 6 HD2 PHE 6 11.303 2.822 -11.611
66 HE1 PHE 6 HE1 PHE 6 7.828 -0.068 -13.553
67 HE2 PHE 6 HE2 PHE 6 11.522 2.027 -13.929
68 HZ PHE 6 HZ PHE 6 9.783 0.581 -14.903
69 H VAL 7 H VAL 7 6.640 1.950 -11.129
70 HA VAL 7 HA VAL 7 6.356 2.188 -13.506
71 HB VAL 7 HB VAL 7 4.291 3.794 -13.581
72 HG11 VAL 7 1HG1 VAL 7 4.424 1.228 -13.473
73 HG12 VAL 7 2HG1 VAL 7 4.018 1.423 -11.767
74 HG13 VAL 7 3HG1 VAL 7 2.911 2.005 -13.010
75 HG21 VAL 7 3HG2 VAL 7 3.905 3.317 -10.732
76 HG22 VAL 7 1HG2 VAL 7 5.215 4.446 -11.076
77 HG23 VAL 7 2HG2 VAL 7 3.593 4.764 -11.690
78 H VAL 8 H VAL 8 8.604 3.732 -13.026
79 HA VAL 8 HA VAL 8 8.381 6.456 -13.625
80 HB VAL 8 HB VAL 8 10.704 6.454 -14.085
81 HG11 VAL 8 1HG1 VAL 8 9.877 4.449 -12.022
82 HG12 VAL 8 2HG1 VAL 8 11.583 4.809 -12.293
83 HG13 VAL 8 3HG1 VAL 8 10.476 6.093 -11.804
84 HG21 VAL 8 3HG2 VAL 8 11.754 3.992 -14.247
85 HG22 VAL 8 1HG2 VAL 8 10.189 3.693 -15.002
86 HG23 VAL 8 2HG2 VAL 8 11.264 4.925 -15.661
87 H GLY 9 H GLY 9 6.986 4.321 -15.416
88 HA2 GLY 9 2HA GLY 9 8.000 5.247 -18.017
89 HA3 GLY 9 3HA GLY 9 6.974 3.844 -17.761
90 H ARG 10 H ARG 10 6.530 7.110 -16.477
91 HA ARG 10 HA ARG 10 3.863 7.151 -17.659
92 HB2 ARG 10 2HB ARG 10 4.940 9.314 -15.887
93 HB3 ARG 10 3HB ARG 10 3.285 8.746 -16.067
94 HG2 ARG 10 2HG ARG 10 3.609 7.645 -14.165
95 HG3 ARG 10 3HG ARG 10 4.604 6.531 -15.105
96 HD2 ARG 10 2HD ARG 10 6.539 7.335 -14.256
97 HD3 ARG 10 3HD ARG 10 5.942 8.993 -14.191
98 HE ARG 10 HE ARG 10 4.678 7.335 -12.250
99 HH11 ARG 10 1HH1 ARG 10 7.590 9.114 -12.937
100 HH12 ARG 10 2HH1 ARG 10 7.990 9.359 -11.269
101 HH21 ARG 10 1HH2 ARG 10 5.193 7.650 -10.050
102 HH22 ARG 10 2HH2 ARG 10 6.626 8.525 -9.628
Start of MODEL 4
1 H1 LEU 1 H LEU 1 0.888 -0.366 0.317
2 HA LEU 1 HA LEU 1 1.899 1.103 -1.761
3 HB2 LEU 1 2HB LEU 1 3.861 1.248 -0.084
4 HB3 LEU 1 3HB LEU 1 4.190 -0.414 -0.568
5 HG LEU 1 HG LEU 1 3.904 1.443 -2.815
6 HD11 LEU 1 1HD1 LEU 1 5.086 2.685 -0.807
7 HD12 LEU 1 2HD1 LEU 1 5.676 2.832 -2.462
8 HD13 LEU 1 3HD1 LEU 1 6.466 1.725 -1.339
9 HD21 LEU 1 3HD2 LEU 1 6.412 0.125 -2.690
10 HD22 LEU 1 1HD2 LEU 1 5.037 -0.224 -3.738
11 HD23 LEU 1 2HD2 LEU 1 5.172 -1.016 -2.167
12 H TYR 2 H TYR 2 2.957 -0.316 -3.493
13 HA TYR 2 HA TYR 2 1.931 -3.069 -3.265
14 HB2 TYR 2 2HB TYR 2 1.900 -2.496 -5.972
15 HB3 TYR 2 3HB TYR 2 0.500 -2.522 -4.905
16 HD1 TYR 2 HD1 TYR 2 3.281 -0.136 -5.679
17 HD2 TYR 2 HD2 TYR 2 -0.898 -0.711 -5.126
18 HE1 TYR 2 HE1 TYR 2 2.898 2.251 -6.136
19 HE2 TYR 2 HE2 TYR 2 -1.292 1.673 -5.583
20 HH TYR 2 HH TYR 2 1.336 3.815 -6.568
21 H ARG 3 H ARG 3 3.502 -1.843 -6.112
22 HA ARG 3 HA ARG 3 6.164 -2.480 -5.514
23 HB2 ARG 3 2HB ARG 3 6.487 -4.639 -6.364
24 HB3 ARG 3 3HB ARG 3 5.029 -4.780 -5.391
25 HG2 ARG 3 2HG ARG 3 5.091 -4.444 -8.382
26 HG3 ARG 3 3HG ARG 3 4.858 -5.970 -7.528
27 HD2 ARG 3 2HD ARG 3 2.933 -4.566 -6.351
28 HD3 ARG 3 3HD ARG 3 3.008 -3.674 -7.870
29 HE ARG 3 HE ARG 3 2.881 -6.270 -8.653
30 HH11 ARG 3 1HH1 ARG 3 0.950 -4.278 -6.549
31 HH12 ARG 3 2HH1 ARG 3 -0.521 -5.131 -6.877
32 HH21 ARG 3 1HH2 ARG 3 0.949 -7.402 -9.092
33 HH22 ARG 3 2HH2 ARG 3 -0.521 -6.908 -8.322
34 H ARG 4 H ARG 4 4.144 -0.844 -7.166
35 HA ARG 4 HA ARG 4 5.683 -0.911 -9.679
36 HB2 ARG 4 2HB ARG 4 2.747 -0.464 -9.209
37 HB3 ARG 4 3HB ARG 4 3.536 0.148 -10.656
38 HG2 ARG 4 2HG ARG 4 3.478 -1.846 -11.621
39 HG3 ARG 4 3HG ARG 4 4.204 -2.620 -10.211
40 HD2 ARG 4 2HD ARG 4 1.915 -2.526 -9.143
41 HD3 ARG 4 3HD ARG 4 1.293 -2.056 -10.724
42 HE ARG 4 HE ARG 4 2.105 -4.677 -9.896
43 HH11 ARG 4 1HH1 ARG 4 1.740 -2.544 -12.624
44 HH12 ARG 4 2HH1 ARG 4 1.576 -3.830 -13.773
45 HH21 ARG 4 1HH2 ARG 4 1.890 -6.378 -11.400
46 HH22 ARG 4 2HH2 ARG 4 1.660 -6.010 -13.076
47 H ARG 5 H ARG 5 5.291 0.761 -6.928
48 HA ARG 5 HA ARG 5 4.759 3.371 -7.393
49 HB2 ARG 5 2HB ARG 5 6.256 3.947 -5.611
50 HB3 ARG 5 3HB ARG 5 5.541 2.386 -5.231
51 HG2 ARG 5 2HG ARG 5 7.783 1.605 -6.522
52 HG3 ARG 5 3HG ARG 5 8.333 3.106 -5.775
53 HD2 ARG 5 2HD ARG 5 6.823 1.707 -3.839
54 HD3 ARG 5 3HD ARG 5 7.924 0.546 -4.579
55 HE ARG 5 HE ARG 5 9.144 3.041 -3.790
56 HH11 ARG 5 1HH1 ARG 5 8.316 -0.207 -2.851
57 HH12 ARG 5 2HH1 ARG 5 9.523 -0.295 -1.611
58 HH21 ARG 5 1HH2 ARG 5 10.736 2.938 -2.160
59 HH22 ARG 5 2HH2 ARG 5 10.898 1.494 -1.218
60 H PHE 6 H PHE 6 7.607 1.615 -8.450
61 HA PHE 6 HA PHE 6 9.222 3.753 -9.222
62 HB2 PHE 6 2HB PHE 6 10.588 2.089 -9.832
63 HB3 PHE 6 3HB PHE 6 9.300 0.954 -9.441
64 HD1 PHE 6 HD1 PHE 6 7.514 0.618 -11.339
65 HD2 PHE 6 HD2 PHE 6 11.462 2.082 -11.955
66 HE1 PHE 6 HE1 PHE 6 7.393 -0.059 -13.702
67 HE2 PHE 6 HE2 PHE 6 11.348 1.409 -14.318
68 HZ PHE 6 HZ PHE 6 9.311 0.337 -15.195
69 H VAL 7 H VAL 7 6.776 1.973 -11.084
70 HA VAL 7 HA VAL 7 6.340 2.403 -13.411
71 HB VAL 7 HB VAL 7 4.583 4.331 -13.219
72 HG11 VAL 7 1HG1 VAL 7 4.280 1.778 -13.243
73 HG12 VAL 7 2HG1 VAL 7 4.062 1.931 -11.499
74 HG13 VAL 7 3HG1 VAL 7 2.968 2.766 -12.602
75 HG21 VAL 7 3HG2 VAL 7 4.359 3.753 -10.371
76 HG22 VAL 7 1HG2 VAL 7 5.811 4.665 -10.783
77 HG23 VAL 7 2HG2 VAL 7 4.223 5.288 -11.230
78 H VAL 8 H VAL 8 8.852 3.517 -13.068
79 HA VAL 8 HA VAL 8 9.052 6.271 -13.515
80 HB VAL 8 HB VAL 8 11.292 5.910 -14.191
81 HG11 VAL 8 1HG1 VAL 8 10.309 3.948 -12.156
82 HG12 VAL 8 2HG1 VAL 8 12.023 4.032 -12.569
83 HG13 VAL 8 3HG1 VAL 8 11.200 5.451 -11.919
84 HG21 VAL 8 3HG2 VAL 8 11.890 3.326 -14.569
85 HG22 VAL 8 1HG2 VAL 8 10.235 3.333 -15.180
86 HG23 VAL 8 2HG2 VAL 8 11.441 4.410 -15.885
87 H GLY 9 H GLY 9 7.169 4.510 -15.269
88 HA2 GLY 9 2HA GLY 9 8.123 5.250 -17.929
89 HA3 GLY 9 3HA GLY 9 6.725 4.249 -17.567
90 H ARG 10 H ARG 10 7.390 7.397 -16.141
91 HA ARG 10 HA ARG 10 4.876 8.367 -17.295
92 HB2 ARG 10 2HB ARG 10 6.419 9.851 -15.201
93 HB3 ARG 10 3HB ARG 10 4.685 9.818 -15.491
94 HG2 ARG 10 2HG ARG 10 6.289 7.525 -14.380
95 HG3 ARG 10 3HG ARG 10 5.341 8.663 -13.420
96 HD2 ARG 10 2HD ARG 10 3.624 7.733 -15.431
97 HD3 ARG 10 3HD ARG 10 4.487 6.313 -14.841
98 HE ARG 10 HE ARG 10 3.609 7.789 -12.634
99 HH11 ARG 10 1HH1 ARG 10 2.299 5.915 -15.259
100 HH12 ARG 10 2HH1 ARG 10 0.888 5.427 -14.380
101 HH21 ARG 10 1HH2 ARG 10 1.756 7.154 -11.466
102 HH22 ARG 10 2HH2 ARG 10 0.580 6.134 -12.222
Start of MODEL 5
1 H1 LEU 1 H LEU 1 2.327 -0.195 0.641
2 HA LEU 1 HA LEU 1 1.325 1.103 -1.805
3 HB2 LEU 1 2HB LEU 1 3.514 1.341 -2.565
4 HB3 LEU 1 3HB LEU 1 3.598 1.748 -0.852
5 HG LEU 1 HG LEU 1 4.154 -1.028 -1.129
6 HD11 LEU 1 1HD1 LEU 1 5.540 0.751 -3.106
7 HD12 LEU 1 2HD1 LEU 1 4.808 -0.833 -3.362
8 HD13 LEU 1 3HD1 LEU 1 6.315 -0.694 -2.456
9 HD21 LEU 1 3HD2 LEU 1 4.925 0.411 0.677
10 HD22 LEU 1 1HD2 LEU 1 5.915 1.329 -0.458
11 HD23 LEU 1 2HD2 LEU 1 6.289 -0.363 -0.130
12 H TYR 2 H TYR 2 2.804 -0.244 -3.684
13 HA TYR 2 HA TYR 2 1.852 -3.021 -3.421
14 HB2 TYR 2 2HB TYR 2 1.931 -2.505 -6.145
15 HB3 TYR 2 3HB TYR 2 0.486 -2.568 -5.141
16 HD1 TYR 2 HD1 TYR 2 3.203 -0.097 -5.874
17 HD2 TYR 2 HD2 TYR 2 -0.966 -0.808 -5.416
18 HE1 TYR 2 HE1 TYR 2 2.750 2.265 -6.391
19 HE2 TYR 2 HE2 TYR 2 -1.431 1.551 -5.933
20 HH TYR 2 HH TYR 2 -0.451 3.634 -6.068
21 H ARG 3 H ARG 3 3.525 -1.801 -6.218
22 HA ARG 3 HA ARG 3 6.169 -2.363 -5.491
23 HB2 ARG 3 2HB ARG 3 6.584 -4.532 -6.240
24 HB3 ARG 3 3HB ARG 3 5.051 -4.691 -5.392
25 HG2 ARG 3 2HG ARG 3 5.412 -4.457 -8.373
26 HG3 ARG 3 3HG ARG 3 5.027 -5.928 -7.478
27 HD2 ARG 3 2HD ARG 3 3.039 -4.396 -6.596
28 HD3 ARG 3 3HD ARG 3 3.316 -3.598 -8.144
29 HE ARG 3 HE ARG 3 2.343 -5.384 -9.175
30 HH11 ARG 3 1HH1 ARG 3 3.365 -6.357 -5.992
31 HH12 ARG 3 2HH1 ARG 3 2.642 -7.928 -6.098
32 HH21 ARG 3 1HH2 ARG 3 1.387 -7.450 -9.327
33 HH22 ARG 3 2HH2 ARG 3 1.518 -8.549 -7.996
34 H ARG 4 H ARG 4 4.161 -0.838 -7.282
35 HA ARG 4 HA ARG 4 5.832 -0.895 -9.709
36 HB2 ARG 4 2HB ARG 4 2.861 -0.557 -9.400
37 HB3 ARG 4 3HB ARG 4 3.699 0.057 -10.819
38 HG2 ARG 4 2HG ARG 4 3.771 -1.958 -11.740
39 HG3 ARG 4 3HG ARG 4 4.451 -2.673 -10.277
40 HD2 ARG 4 2HD ARG 4 2.438 -3.801 -10.521
41 HD3 ARG 4 3HD ARG 4 2.041 -2.531 -9.364
42 HE ARG 4 HE ARG 4 1.527 -1.692 -12.029
43 HH11 ARG 4 1HH1 ARG 4 0.272 -3.673 -9.455
44 HH12 ARG 4 2HH1 ARG 4 -1.374 -3.535 -9.976
45 HH21 ARG 4 1HH2 ARG 4 -0.637 -1.502 -12.724
46 HH22 ARG 4 2HH2 ARG 4 -1.890 -2.301 -11.836
47 H ARG 5 H ARG 5 5.237 0.818 -7.022
48 HA ARG 5 HA ARG 5 4.628 3.394 -7.574
49 HB2 ARG 5 2HB ARG 5 6.012 4.068 -5.734
50 HB3 ARG 5 3HB ARG 5 5.334 2.491 -5.352
51 HG2 ARG 5 2HG ARG 5 7.669 1.770 -6.514
52 HG3 ARG 5 3HG ARG 5 8.122 3.301 -5.761
53 HD2 ARG 5 2HD ARG 5 6.943 2.354 -3.668
54 HD3 ARG 5 3HD ARG 5 7.092 0.796 -4.480
55 HE ARG 5 HE ARG 5 9.605 1.792 -4.585
56 HH11 ARG 5 1HH1 ARG 5 7.317 1.333 -2.002
57 HH12 ARG 5 2HH1 ARG 5 8.533 1.084 -0.793
58 HH21 ARG 5 1HH2 ARG 5 11.216 1.465 -3.003
59 HH22 ARG 5 2HH2 ARG 5 10.751 1.160 -1.364
60 H PHE 6 H PHE 6 7.591 1.731 -8.447
61 HA PHE 6 HA PHE 6 9.160 3.915 -9.186
62 HB2 PHE 6 2HB PHE 6 10.618 2.294 -9.688
63 HB3 PHE 6 3HB PHE 6 9.357 1.117 -9.335
64 HD1 PHE 6 HD2 PHE 6 7.684 0.670 -11.313
65 HD2 PHE 6 HD1 PHE 6 11.599 2.277 -11.763
66 HE1 PHE 6 HE2 PHE 6 7.710 -0.061 -13.662
67 HE2 PHE 6 HE1 PHE 6 11.631 1.549 -14.113
68 HZ PHE 6 HZ PHE 6 9.685 0.378 -15.065
69 H VAL 7 H VAL 7 6.882 2.001 -11.126
70 HA VAL 7 HA VAL 7 6.550 2.363 -13.481
71 HB VAL 7 HB VAL 7 4.712 4.225 -13.422
72 HG11 VAL 7 1HG1 VAL 7 4.509 1.662 -13.403
73 HG12 VAL 7 2HG1 VAL 7 4.197 1.842 -11.675
74 HG13 VAL 7 3HG1 VAL 7 3.129 2.611 -12.851
75 HG21 VAL 7 3HG2 VAL 7 4.365 3.698 -10.576
76 HG22 VAL 7 1HG2 VAL 7 5.801 4.658 -10.935
77 HG23 VAL 7 2HG2 VAL 7 4.215 5.208 -11.475
78 H VAL 8 H VAL 8 8.996 3.583 -13.039
79 HA VAL 8 HA VAL 8 9.113 6.333 -13.538
80 HB VAL 8 HB VAL 8 11.397 6.046 -14.094
81 HG11 VAL 8 1HG1 VAL 8 10.388 4.090 -12.065
82 HG12 VAL 8 2HG1 VAL 8 12.116 4.234 -12.394
83 HG13 VAL 8 3HG1 VAL 8 11.207 5.632 -11.819
84 HG21 VAL 8 3HG2 VAL 8 12.109 3.478 -14.380
85 HG22 VAL 8 1HG2 VAL 8 10.490 3.409 -15.075
86 HG23 VAL 8 2HG2 VAL 8 11.690 4.517 -15.742
87 H GLY 9 H GLY 9 7.390 4.463 -15.343
88 HA2 GLY 9 2HA GLY 9 8.448 5.184 -17.968
89 HA3 GLY 9 3HA GLY 9 7.073 4.136 -17.654
90 H ARG 10 H ARG 10 7.544 7.337 -16.269
91 HA ARG 10 HA ARG 10 5.057 8.183 -17.569
92 HB2 ARG 10 2HB ARG 10 6.433 9.770 -15.435
93 HB3 ARG 10 3HB ARG 10 4.718 9.663 -15.810
94 HG2 ARG 10 2HG ARG 10 6.351 7.459 -14.569
95 HG3 ARG 10 3HG ARG 10 5.313 8.578 -13.684
96 HD2 ARG 10 2HD ARG 10 3.759 7.517 -15.778
97 HD3 ARG 10 3HD ARG 10 4.620 6.160 -15.053
98 HE ARG 10 HE ARG 10 3.578 7.648 -12.963
99 HH11 ARG 10 1HH1 ARG 10 2.376 5.850 -15.691
100 HH12 ARG 10 2HH1 ARG 10 0.887 5.420 -14.918
101 HH21 ARG 10 1HH2 ARG 10 1.621 7.088 -11.934
102 HH22 ARG 10 2HH2 ARG 10 0.458 6.125 -12.781
Start of MODEL 6
1 H1 LEU 1 H LEU 1 2.741 -0.036 0.673
2 HA LEU 1 HA LEU 1 1.588 0.786 -1.807
3 HB2 LEU 1 2HB LEU 1 3.768 1.051 -2.580
4 HB3 LEU 1 3HB LEU 1 3.871 1.404 -0.856
5 HG LEU 1 HG LEU 1 4.425 -1.361 -1.229
6 HD11 LEU 1 1HD1 LEU 1 5.056 -1.089 -3.461
7 HD12 LEU 1 2HD1 LEU 1 6.571 -0.984 -2.567
8 HD13 LEU 1 3HD1 LEU 1 5.793 0.484 -3.158
9 HD21 LEU 1 3HD2 LEU 1 5.739 1.067 -0.164
10 HD22 LEU 1 1HD2 LEU 1 6.782 -0.304 -0.546
11 HD23 LEU 1 2HD2 LEU 1 5.453 -0.499 0.597
12 H TYR 2 H TYR 2 3.051 -0.508 -3.736
13 HA TYR 2 HA TYR 2 2.104 -3.292 -3.540
14 HB2 TYR 2 2HB TYR 2 2.153 -2.707 -6.249
15 HB3 TYR 2 3HB TYR 2 0.719 -2.790 -5.232
16 HD1 TYR 2 HD2 TYR 2 3.436 -0.308 -5.926
17 HD2 TYR 2 HD1 TYR 2 -0.733 -1.022 -5.458
18 HE1 TYR 2 HE2 TYR 2 2.984 2.067 -6.380
19 HE2 TYR 2 HE1 TYR 2 -1.196 1.351 -5.911
20 HH TYR 2 HH TYR 2 1.308 3.540 -6.981
21 H ARG 3 H ARG 3 3.743 -2.002 -6.324
22 HA ARG 3 HA ARG 3 6.397 -2.574 -5.639
23 HB2 ARG 3 2HB ARG 3 6.808 -4.725 -6.432
24 HB3 ARG 3 3HB ARG 3 5.275 -4.907 -5.589
25 HG2 ARG 3 2HG ARG 3 5.642 -4.606 -8.563
26 HG3 ARG 3 3HG ARG 3 5.244 -6.093 -7.700
27 HD2 ARG 3 2HD ARG 3 3.553 -3.601 -7.853
28 HD3 ARG 3 3HD ARG 3 3.249 -5.124 -8.687
29 HE ARG 3 HE ARG 3 3.421 -5.429 -5.846
30 HH11 ARG 3 1HH1 ARG 3 1.319 -4.548 -8.477
31 HH12 ARG 3 2HH1 ARG 3 -0.134 -4.956 -7.625
32 HH21 ARG 3 1HH2 ARG 3 1.516 -5.970 -4.714
33 HH22 ARG 3 2HH2 ARG 3 -0.020 -5.764 -5.484
34 H ARG 4 H ARG 4 4.357 -1.023 -7.377
35 HA ARG 4 HA ARG 4 6.007 -1.010 -9.819
36 HB2 ARG 4 2HB ARG 4 3.036 -0.703 -9.476
37 HB3 ARG 4 3HB ARG 4 3.857 -0.049 -10.887
38 HG2 ARG 4 2HG ARG 4 3.937 -2.040 -11.857
39 HG3 ARG 4 3HG ARG 4 4.634 -2.784 -10.416
40 HD2 ARG 4 2HD ARG 4 2.630 -3.923 -10.664
41 HD3 ARG 4 3HD ARG 4 2.229 -2.678 -9.482
42 HE ARG 4 HE ARG 4 1.595 -1.543 -11.870
43 HH11 ARG 4 1HH1 ARG 4 0.732 -4.520 -10.284
44 HH12 ARG 4 2HH1 ARG 4 -0.834 -4.610 -11.021
45 HH21 ARG 4 1HH2 ARG 4 -0.463 -1.651 -12.846
46 HH22 ARG 4 2HH2 ARG 4 -1.512 -2.978 -12.479
47 H ARG 5 H ARG 5 5.466 0.630 -7.090
48 HA ARG 5 HA ARG 5 4.816 3.213 -7.555
49 HB2 ARG 5 2HB ARG 5 6.256 3.854 -5.743
50 HB3 ARG 5 3HB ARG 5 5.593 2.266 -5.380
51 HG2 ARG 5 2HG ARG 5 7.902 1.596 -6.638
52 HG3 ARG 5 3HG ARG 5 8.364 3.097 -5.833
53 HD2 ARG 5 2HD ARG 5 7.183 0.635 -4.556
54 HD3 ARG 5 3HD ARG 5 8.827 1.242 -4.371
55 HE ARG 5 HE ARG 5 6.802 3.116 -3.563
56 HH11 ARG 5 1HH1 ARG 5 8.786 0.434 -2.569
57 HH12 ARG 5 2HH1 ARG 5 8.711 0.833 -0.884
58 HH21 ARG 5 1HH2 ARG 5 6.695 3.652 -1.349
59 HH22 ARG 5 2HH2 ARG 5 7.520 2.664 -0.192
60 H PHE 6 H PHE 6 7.767 1.605 -8.560
61 HA PHE 6 HA PHE 6 9.291 3.824 -9.288
62 HB2 PHE 6 2HB PHE 6 10.749 2.232 -9.877
63 HB3 PHE 6 3HB PHE 6 9.511 1.034 -9.518
64 HD1 PHE 6 HD1 PHE 6 7.782 0.621 -11.455
65 HD2 PHE 6 HD2 PHE 6 11.667 2.279 -11.981
66 HE1 PHE 6 HE1 PHE 6 7.744 -0.049 -13.822
67 HE2 PHE 6 HE2 PHE 6 11.634 1.613 -14.349
68 HZ PHE 6 HZ PHE 6 9.671 0.449 -15.273
69 H VAL 7 H VAL 7 6.974 1.937 -11.209
70 HA VAL 7 HA VAL 7 6.566 2.358 -13.542
71 HB VAL 7 HB VAL 7 4.713 4.197 -13.379
72 HG11 VAL 7 1HG1 VAL 7 4.536 1.633 -13.421
73 HG12 VAL 7 2HG1 VAL 7 4.274 1.765 -11.681
74 HG13 VAL 7 3HG1 VAL 7 3.164 2.552 -12.803
75 HG21 VAL 7 3HG2 VAL 7 4.459 3.593 -10.539
76 HG22 VAL 7 1HG2 VAL 7 5.873 4.577 -10.916
77 HG23 VAL 7 2HG2 VAL 7 4.266 5.124 -11.393
78 H VAL 8 H VAL 8 9.013 3.591 -13.143
79 HA VAL 8 HA VAL 8 9.088 6.354 -13.573
80 HB VAL 8 HB VAL 8 11.356 6.106 -14.205
81 HG11 VAL 8 1HG1 VAL 8 10.428 4.087 -12.199
82 HG12 VAL 8 2HG1 VAL 8 12.144 4.257 -12.576
83 HG13 VAL 8 3HG1 VAL 8 11.240 5.630 -11.936
84 HG21 VAL 8 3HG2 VAL 8 12.083 3.553 -14.579
85 HG22 VAL 8 1HG2 VAL 8 10.445 3.488 -15.230
86 HG23 VAL 8 2HG2 VAL 8 11.615 4.624 -15.900
87 H GLY 9 H GLY 9 7.328 4.513 -15.373
88 HA2 GLY 9 2HA GLY 9 8.299 5.314 -18.009
89 HA3 GLY 9 3HA GLY 9 6.945 4.243 -17.681
90 H ARG 10 H ARG 10 7.426 7.412 -16.227
91 HA ARG 10 HA ARG 10 4.891 8.265 -17.427
92 HB2 ARG 10 2HB ARG 10 6.317 9.812 -15.297
93 HB3 ARG 10 3HB ARG 10 4.593 9.694 -15.622
94 HG2 ARG 10 2HG ARG 10 6.286 7.477 -14.489
95 HG3 ARG 10 3HG ARG 10 5.265 8.562 -13.543
96 HD2 ARG 10 2HD ARG 10 3.637 7.558 -15.594
97 HD3 ARG 10 3HD ARG 10 4.554 6.180 -14.986
98 HE ARG 10 HE ARG 10 3.636 7.465 -12.748
99 HH11 ARG 10 1HH1 ARG 10 2.188 6.065 -15.587
100 HH12 ARG 10 2HH1 ARG 10 0.715 5.634 -14.783
101 HH21 ARG 10 1HH2 ARG 10 1.702 6.904 -11.678
102 HH22 ARG 10 2HH2 ARG 10 0.439 6.113 -12.559
Start of MODEL 7
1 H1 LEU 1 H LEU 1 1.071 -0.313 0.470
2 HA LEU 1 HA LEU 1 1.265 1.015 -2.153
3 HB2 LEU 1 2HB LEU 1 3.092 1.468 -0.380
4 HB3 LEU 1 3HB LEU 1 3.631 -0.170 -0.749
5 HG LEU 1 HG LEU 1 3.281 1.520 -3.113
6 HD11 LEU 1 1HD1 LEU 1 4.071 3.154 -1.368
7 HD12 LEU 1 2HD1 LEU 1 5.123 2.965 -2.770
8 HD13 LEU 1 3HD1 LEU 1 5.541 2.187 -1.244
9 HD21 LEU 1 3HD2 LEU 1 4.753 -0.744 -2.268
10 HD22 LEU 1 1HD2 LEU 1 5.912 0.502 -2.734
11 HD23 LEU 1 2HD2 LEU 1 4.676 -0.025 -3.877
12 H TYR 2 H TYR 2 2.584 -0.370 -3.731
13 HA TYR 2 HA TYR 2 1.841 -3.203 -3.397
14 HB2 TYR 2 2HB TYR 2 1.934 -2.787 -6.131
15 HB3 TYR 2 3HB TYR 2 0.475 -2.902 -5.153
16 HD1 TYR 2 HD2 TYR 2 3.042 -0.279 -5.900
17 HD2 TYR 2 HD1 TYR 2 -1.084 -1.267 -5.577
18 HE1 TYR 2 HE2 TYR 2 2.447 2.023 -6.528
19 HE2 TYR 2 HE1 TYR 2 -1.690 1.032 -6.206
20 HH TYR 2 HH TYR 2 -0.366 3.407 -5.997
21 H ARG 3 H ARG 3 3.465 -1.972 -6.212
22 HA ARG 3 HA ARG 3 6.132 -2.281 -5.412
23 HB2 ARG 3 2HB ARG 3 6.737 -4.436 -6.085
24 HB3 ARG 3 3HB ARG 3 5.223 -4.684 -5.226
25 HG2 ARG 3 2HG ARG 3 5.534 -4.522 -8.217
26 HG3 ARG 3 3HG ARG 3 5.334 -6.002 -7.276
27 HD2 ARG 3 2HD ARG 3 3.209 -4.595 -6.405
28 HD3 ARG 3 3HD ARG 3 3.356 -3.949 -8.039
29 HE ARG 3 HE ARG 3 2.513 -5.917 -8.812
30 HH11 ARG 3 1HH1 ARG 3 3.894 -6.475 -5.665
31 HH12 ARG 3 2HH1 ARG 3 3.388 -8.130 -5.593
32 HH21 ARG 3 1HH2 ARG 3 1.842 -8.095 -8.729
33 HH22 ARG 3 2HH2 ARG 3 2.222 -9.051 -7.337
34 H ARG 4 H ARG 4 4.056 -0.985 -7.293
35 HA ARG 4 HA ARG 4 5.769 -1.012 -9.691
36 HB2 ARG 4 2HB ARG 4 2.776 -0.883 -9.440
37 HB3 ARG 4 3HB ARG 4 3.592 -0.265 -10.869
38 HG2 ARG 4 2HG ARG 4 3.827 -2.302 -11.708
39 HG3 ARG 4 3HG ARG 4 4.531 -2.908 -10.207
40 HD2 ARG 4 2HD ARG 4 2.611 -4.190 -10.434
41 HD3 ARG 4 3HD ARG 4 2.101 -2.908 -9.337
42 HE ARG 4 HE ARG 4 1.498 -2.016 -11.873
43 HH11 ARG 4 1HH1 ARG 4 0.634 -4.728 -9.868
44 HH12 ARG 4 2HH1 ARG 4 -0.940 -4.911 -10.568
45 HH21 ARG 4 1HH2 ARG 4 -0.571 -2.247 -12.803
46 HH22 ARG 4 2HH2 ARG 4 -1.624 -3.500 -12.239
47 H ARG 5 H ARG 5 5.041 0.752 -7.084
48 HA ARG 5 HA ARG 5 4.238 3.252 -7.726
49 HB2 ARG 5 2HB ARG 5 5.584 4.098 -5.924
50 HB3 ARG 5 3HB ARG 5 5.010 2.497 -5.477
51 HG2 ARG 5 2HG ARG 5 7.391 1.896 -6.630
52 HG3 ARG 5 3HG ARG 5 7.736 3.471 -5.912
53 HD2 ARG 5 2HD ARG 5 6.821 2.617 -3.761
54 HD3 ARG 5 3HD ARG 5 6.664 1.028 -4.508
55 HE ARG 5 HE ARG 5 9.257 1.592 -4.914
56 HH11 ARG 5 1HH1 ARG 5 7.246 1.755 -2.076
57 HH12 ARG 5 2HH1 ARG 5 8.543 1.421 -0.978
58 HH21 ARG 5 1HH2 ARG 5 10.973 1.151 -3.478
59 HH22 ARG 5 2HH2 ARG 5 10.663 1.078 -1.776
60 H PHE 6 H PHE 6 7.317 1.788 -8.553
61 HA PHE 6 HA PHE 6 8.711 4.056 -9.382
62 HB2 PHE 6 2HB PHE 6 10.288 2.534 -9.832
63 HB3 PHE 6 3HB PHE 6 9.121 1.278 -9.430
64 HD1 PHE 6 HD2 PHE 6 7.482 0.631 -11.380
65 HD2 PHE 6 HD1 PHE 6 11.261 2.516 -11.911
66 HE1 PHE 6 HE2 PHE 6 7.558 -0.183 -13.700
67 HE2 PHE 6 HE1 PHE 6 11.343 1.706 -14.233
68 HZ PHE 6 HZ PHE 6 9.490 0.354 -15.130
69 H VAL 7 H VAL 7 6.582 1.903 -11.237
70 HA VAL 7 HA VAL 7 6.215 2.150 -13.602
71 HB VAL 7 HB VAL 7 4.241 3.866 -13.601
72 HG11 VAL 7 1HG1 VAL 7 4.235 1.299 -13.487
73 HG12 VAL 7 2HG1 VAL 7 3.915 1.518 -11.765
74 HG13 VAL 7 3HG1 VAL 7 2.788 2.159 -12.961
75 HG21 VAL 7 3HG2 VAL 7 3.944 3.421 -10.736
76 HG22 VAL 7 1HG2 VAL 7 5.300 4.474 -11.139
77 HG23 VAL 7 2HG2 VAL 7 3.675 4.881 -11.690
78 H VAL 8 H VAL 8 8.563 3.569 -13.220
79 HA VAL 8 HA VAL 8 8.465 6.299 -13.823
80 HB VAL 8 HB VAL 8 10.764 6.169 -14.376
81 HG11 VAL 8 1HG1 VAL 8 9.912 4.218 -12.272
82 HG12 VAL 8 2HG1 VAL 8 11.623 4.484 -12.612
83 HG13 VAL 8 3HG1 VAL 8 10.608 5.827 -12.086
84 HG21 VAL 8 3HG2 VAL 8 11.671 3.654 -14.568
85 HG22 VAL 8 1HG2 VAL 8 10.062 3.437 -15.257
86 HG23 VAL 8 2HG2 VAL 8 11.174 4.608 -15.966
87 H GLY 9 H GLY 9 6.884 4.241 -15.546
88 HA2 GLY 9 2HA GLY 9 7.841 5.103 -18.190
89 HA3 GLY 9 3HA GLY 9 6.752 3.758 -17.887
90 H ARG 10 H ARG 10 6.537 7.047 -16.602
91 HA ARG 10 HA ARG 10 3.830 7.229 -17.675
92 HB2 ARG 10 2HB ARG 10 5.094 9.335 -15.959
93 HB3 ARG 10 3HB ARG 10 3.405 8.858 -16.070
94 HG2 ARG 10 2HG ARG 10 3.744 7.746 -14.177
95 HG3 ARG 10 3HG ARG 10 4.639 6.578 -15.151
96 HD2 ARG 10 2HD ARG 10 6.647 7.279 -14.384
97 HD3 ARG 10 3HD ARG 10 6.143 8.966 -14.301
98 HE ARG 10 HE ARG 10 4.874 7.376 -12.305
99 HH11 ARG 10 1HH1 ARG 10 7.838 9.012 -13.115
100 HH12 ARG 10 2HH1 ARG 10 8.315 9.241 -11.465
101 HH21 ARG 10 1HH2 ARG 10 5.491 7.671 -10.129
102 HH22 ARG 10 2HH2 ARG 10 6.980 8.477 -9.767
Start of MODEL 8
1 H1 LEU 1 H LEU 1 0.751 -0.342 0.253
2 HA LEU 1 HA LEU 1 1.897 1.130 -1.785
3 HB2 LEU 1 2HB LEU 1 3.741 1.148 0.071
4 HB3 LEU 1 3HB LEU 1 4.073 -0.478 -0.524
5 HG LEU 1 HG LEU 1 3.949 1.615 -2.591
6 HD11 LEU 1 1HD1 LEU 1 6.236 2.404 -2.072
7 HD12 LEU 1 2HD1 LEU 1 6.135 1.577 -0.517
8 HD13 LEU 1 3HD1 LEU 1 5.038 2.909 -0.881
9 HD21 LEU 1 3HD2 LEU 1 5.161 -0.964 -2.107
10 HD22 LEU 1 1HD2 LEU 1 6.341 0.205 -2.701
11 HD23 LEU 1 2HD2 LEU 1 4.877 -0.119 -3.630
12 H TYR 2 H TYR 2 2.929 -0.287 -3.486
13 HA TYR 2 HA TYR 2 1.880 -3.035 -3.300
14 HB2 TYR 2 2HB TYR 2 1.904 -2.436 -6.004
15 HB3 TYR 2 3HB TYR 2 0.484 -2.469 -4.964
16 HD1 TYR 2 HD1 TYR 2 3.283 -0.089 -5.695
17 HD2 TYR 2 HD2 TYR 2 -0.901 -0.645 -5.155
18 HE1 TYR 2 HE1 TYR 2 2.915 2.303 -6.133
19 HE2 TYR 2 HE2 TYR 2 -1.281 1.745 -5.593
20 HH TYR 2 HH TYR 2 -0.236 3.782 -5.720
21 H ARG 3 H ARG 3 3.509 -1.799 -6.109
22 HA ARG 3 HA ARG 3 6.157 -2.440 -5.477
23 HB2 ARG 3 2HB ARG 3 6.494 -4.607 -6.285
24 HB3 ARG 3 3HB ARG 3 5.006 -4.741 -5.358
25 HG2 ARG 3 2HG ARG 3 5.172 -4.437 -8.349
26 HG3 ARG 3 3HG ARG 3 4.891 -5.949 -7.483
27 HD2 ARG 3 2HD ARG 3 2.962 -4.396 -6.404
28 HD3 ARG 3 3HD ARG 3 3.067 -3.698 -8.019
29 HE ARG 3 HE ARG 3 2.931 -6.367 -8.484
30 HH11 ARG 3 1HH1 ARG 3 0.986 -4.128 -6.661
31 HH12 ARG 3 2HH1 ARG 3 -0.487 -5.008 -6.903
32 HH21 ARG 3 1HH2 ARG 3 0.999 -7.535 -8.810
33 HH22 ARG 3 2HH2 ARG 3 -0.478 -6.946 -8.125
34 H ARG 4 H ARG 4 4.143 -0.834 -7.177
35 HA ARG 4 HA ARG 4 5.721 -0.914 -9.665
36 HB2 ARG 4 2HB ARG 4 2.777 -0.471 -9.242
37 HB3 ARG 4 3HB ARG 4 3.587 0.123 -10.686
38 HG2 ARG 4 2HG ARG 4 3.552 -1.886 -11.624
39 HG3 ARG 4 3HG ARG 4 4.248 -2.640 -10.188
40 HD2 ARG 4 2HD ARG 4 1.935 -2.520 -9.170
41 HD3 ARG 4 3HD ARG 4 1.350 -2.086 -10.775
42 HE ARG 4 HE ARG 4 2.085 -4.686 -9.866
43 HH11 ARG 4 1HH1 ARG 4 2.000 -2.617 -12.665
44 HH12 ARG 4 2HH1 ARG 4 1.916 -3.929 -13.794
45 HH21 ARG 4 1HH2 ARG 4 1.974 -6.422 -11.342
46 HH22 ARG 4 2HH2 ARG 4 1.900 -6.093 -13.040
47 H ARG 5 H ARG 5 5.321 0.775 -6.939
48 HA ARG 5 HA ARG 5 4.771 3.379 -7.421
49 HB2 ARG 5 2HB ARG 5 6.282 3.977 -5.650
50 HB3 ARG 5 3HB ARG 5 5.550 2.428 -5.250
51 HG2 ARG 5 2HG ARG 5 7.802 1.639 -6.554
52 HG3 ARG 5 3HG ARG 5 8.347 3.117 -5.759
53 HD2 ARG 5 2HD ARG 5 6.828 1.747 -3.849
54 HD3 ARG 5 3HD ARG 5 7.819 0.519 -4.636
55 HE ARG 5 HE ARG 5 9.245 2.897 -3.828
56 HH11 ARG 5 1HH1 ARG 5 8.196 -0.302 -2.940
57 HH12 ARG 5 2HH1 ARG 5 9.422 -0.510 -1.733
58 HH21 ARG 5 1HH2 ARG 5 10.862 2.635 -2.241
59 HH22 ARG 5 2HH2 ARG 5 10.937 1.162 -1.336
60 H PHE 6 H PHE 6 7.625 1.631 -8.473
61 HA PHE 6 HA PHE 6 9.229 3.774 -9.258
62 HB2 PHE 6 2HB PHE 6 10.602 2.114 -9.863
63 HB3 PHE 6 3HB PHE 6 9.322 0.975 -9.459
64 HD1 PHE 6 HD2 PHE 6 7.528 0.619 -11.349
65 HD2 PHE 6 HD1 PHE 6 11.470 2.091 -11.988
66 HE1 PHE 6 HE2 PHE 6 7.402 -0.076 -13.706
67 HE2 PHE 6 HE1 PHE 6 11.350 1.399 -14.346
68 HZ PHE 6 HZ PHE 6 9.315 0.313 -15.207
69 H VAL 7 H VAL 7 6.785 1.975 -11.103
70 HA VAL 7 HA VAL 7 6.344 2.388 -13.432
71 HB VAL 7 HB VAL 7 4.581 4.313 -13.247
72 HG11 VAL 7 1HG1 VAL 7 4.292 1.755 -13.256
73 HG12 VAL 7 2HG1 VAL 7 4.063 1.922 -11.515
74 HG13 VAL 7 3HG1 VAL 7 2.973 2.744 -12.632
75 HG21 VAL 7 3HG2 VAL 7 4.366 3.743 -10.396
76 HG22 VAL 7 1HG2 VAL 7 5.811 4.663 -10.815
77 HG23 VAL 7 2HG2 VAL 7 4.217 5.274 -11.260
78 H VAL 8 H VAL 8 8.852 3.511 -13.105
79 HA VAL 8 HA VAL 8 9.045 6.263 -13.565
80 HB VAL 8 HB VAL 8 11.282 5.904 -14.250
81 HG11 VAL 8 1HG1 VAL 8 10.308 3.953 -12.202
82 HG12 VAL 8 2HG1 VAL 8 12.019 4.022 -12.629
83 HG13 VAL 8 3HG1 VAL 8 11.212 5.450 -11.979
84 HG21 VAL 8 3HG2 VAL 8 11.900 3.336 -14.636
85 HG22 VAL 8 1HG2 VAL 8 10.232 3.307 -15.209
86 HG23 VAL 8 2HG2 VAL 8 11.400 4.401 -15.950
87 H GLY 9 H GLY 9 7.157 4.490 -15.303
88 HA2 GLY 9 2HA GLY 9 8.095 5.223 -17.970
89 HA3 GLY 9 3HA GLY 9 6.700 4.221 -17.597
90 H ARG 10 H ARG 10 7.364 7.373 -16.182
91 HA ARG 10 HA ARG 10 4.844 8.335 -17.327
92 HB2 ARG 10 2HB ARG 10 6.395 9.831 -15.248
93 HB3 ARG 10 3HB ARG 10 4.660 9.792 -15.528
94 HG2 ARG 10 2HG ARG 10 6.277 7.508 -14.418
95 HG3 ARG 10 3HG ARG 10 5.332 8.647 -13.456
96 HD2 ARG 10 2HD ARG 10 3.612 7.697 -15.461
97 HD3 ARG 10 3HD ARG 10 4.475 6.287 -14.849
98 HE ARG 10 HE ARG 10 3.653 7.680 -12.624
99 HH11 ARG 10 1HH1 ARG 10 2.129 6.190 -15.376
100 HH12 ARG 10 2HH1 ARG 10 0.666 5.815 -14.527
101 HH21 ARG 10 1HH2 ARG 10 1.732 7.192 -11.496
102 HH22 ARG 10 2HH2 ARG 10 0.441 6.386 -12.320
Start of MODEL 9
1 H1 LEU 1 H LEU 1 1.219 -0.029 0.716
2 HA LEU 1 HA LEU 1 1.221 0.877 -2.059
3 HB2 LEU 1 2HB LEU 1 2.978 1.476 -0.260
4 HB3 LEU 1 3HB LEU 1 3.614 -0.138 -0.570
5 HG LEU 1 HG LEU 1 3.230 1.472 -2.986
6 HD11 LEU 1 1HD1 LEU 1 3.999 3.055 -1.034
7 HD12 LEU 1 2HD1 LEU 1 4.741 3.149 -2.631
8 HD13 LEU 1 3HD1 LEU 1 5.560 2.289 -1.327
9 HD21 LEU 1 3HD2 LEU 1 4.753 -0.715 -2.098
10 HD22 LEU 1 1HD2 LEU 1 5.901 0.572 -2.470
11 HD23 LEU 1 2HD2 LEU 1 4.758 0.028 -3.698
12 H TYR 2 H TYR 2 2.643 -0.466 -3.578
13 HA TYR 2 HA TYR 2 2.064 -3.329 -3.188
14 HB2 TYR 2 2HB TYR 2 2.178 -2.965 -5.931
15 HB3 TYR 2 3HB TYR 2 0.714 -3.159 -4.972
16 HD1 TYR 2 HD2 TYR 2 3.112 -0.390 -5.755
17 HD2 TYR 2 HD1 TYR 2 -0.944 -1.635 -5.431
18 HE1 TYR 2 HE2 TYR 2 2.375 1.855 -6.437
19 HE2 TYR 2 HE1 TYR 2 -1.692 0.607 -6.113
20 HH TYR 2 HH TYR 2 -0.061 3.219 -5.950
21 H ARG 3 H ARG 3 3.658 -2.058 -6.003
22 HA ARG 3 HA ARG 3 6.325 -2.184 -5.163
23 HB2 ARG 3 2HB ARG 3 7.073 -4.316 -5.773
24 HB3 ARG 3 3HB ARG 3 5.571 -4.631 -4.914
25 HG2 ARG 3 2HG ARG 3 5.883 -4.534 -7.908
26 HG3 ARG 3 3HG ARG 3 5.789 -5.999 -6.929
27 HD2 ARG 3 2HD ARG 3 3.565 -4.799 -6.083
28 HD3 ARG 3 3HD ARG 3 3.668 -4.070 -7.685
29 HE ARG 3 HE ARG 3 4.018 -6.760 -8.092
30 HH11 ARG 3 1HH1 ARG 3 1.559 -4.741 -6.679
31 HH12 ARG 3 2HH1 ARG 3 0.259 -5.810 -7.094
32 HH21 ARG 3 1HH2 ARG 3 2.317 -8.175 -8.643
33 HH22 ARG 3 2HH2 ARG 3 0.692 -7.763 -8.210
34 H ARG 4 H ARG 4 4.212 -1.059 -7.100
35 HA ARG 4 HA ARG 4 5.948 -1.063 -9.482
36 HB2 ARG 4 2HB ARG 4 2.948 -1.062 -9.262
37 HB3 ARG 4 3HB ARG 4 3.756 -0.463 -10.705
38 HG2 ARG 4 2HG ARG 4 4.042 -2.521 -11.469
39 HG3 ARG 4 3HG ARG 4 4.821 -3.024 -9.967
40 HD2 ARG 4 2HD ARG 4 3.041 -4.308 -9.596
41 HD3 ARG 4 3HD ARG 4 2.133 -2.823 -9.313
42 HE ARG 4 HE ARG 4 2.008 -4.528 -11.640
43 HH11 ARG 4 1HH1 ARG 4 1.352 -1.376 -10.316
44 HH12 ARG 4 2HH1 ARG 4 0.138 -0.991 -11.491
45 HH21 ARG 4 1HH2 ARG 4 0.412 -4.033 -13.193
46 HH22 ARG 4 2HH2 ARG 4 -0.396 -2.503 -13.127
47 H ARG 5 H ARG 5 5.052 0.734 -6.930
48 HA ARG 5 HA ARG 5 4.160 3.175 -7.682
49 HB2 ARG 5 2HB ARG 5 5.413 4.138 -5.858
50 HB3 ARG 5 3HB ARG 5 4.846 2.544 -5.379
51 HG2 ARG 5 2HG ARG 5 7.309 1.985 -6.420
52 HG3 ARG 5 3HG ARG 5 7.563 3.563 -5.670
53 HD2 ARG 5 2HD ARG 5 6.395 2.574 -3.622
54 HD3 ARG 5 3HD ARG 5 6.633 1.008 -4.395
55 HE ARG 5 HE ARG 5 8.623 2.620 -3.104
56 HH11 ARG 5 1HH1 ARG 5 8.063 0.182 -5.526
57 HH12 ARG 5 2HH1 ARG 5 9.671 -0.458 -5.441
58 HH21 ARG 5 1HH2 ARG 5 10.743 1.786 -2.982
59 HH22 ARG 5 2HH2 ARG 5 11.194 0.455 -3.993
60 H PHE 6 H PHE 6 7.331 1.828 -8.341
61 HA PHE 6 HA PHE 6 8.661 4.135 -9.173
62 HB2 PHE 6 2HB PHE 6 10.321 2.675 -9.513
63 HB3 PHE 6 3HB PHE 6 9.195 1.379 -9.121
64 HD1 PHE 6 HD1 PHE 6 7.667 0.606 -11.116
65 HD2 PHE 6 HD2 PHE 6 11.383 2.636 -11.549
66 HE1 PHE 6 HE1 PHE 6 7.875 -0.270 -13.406
67 HE2 PHE 6 HE2 PHE 6 11.596 1.764 -13.839
68 HZ PHE 6 HZ PHE 6 9.841 0.310 -14.771
69 H VAL 7 H VAL 7 6.707 1.840 -11.051
70 HA VAL 7 HA VAL 7 6.432 2.005 -13.435
71 HB VAL 7 HB VAL 7 4.388 3.634 -13.567
72 HG11 VAL 7 1HG1 VAL 7 4.487 1.072 -13.377
73 HG12 VAL 7 2HG1 VAL 7 4.081 1.326 -11.678
74 HG13 VAL 7 3HG1 VAL 7 2.983 1.883 -12.942
75 HG21 VAL 7 3HG2 VAL 7 3.988 3.254 -10.705
76 HG22 VAL 7 1HG2 VAL 7 5.315 4.354 -11.082
77 HG23 VAL 7 2HG2 VAL 7 3.698 4.674 -11.711
78 H VAL 8 H VAL 8 8.698 3.535 -12.998
79 HA VAL 8 HA VAL 8 8.513 6.240 -13.685
80 HB VAL 8 HB VAL 8 10.836 6.194 -14.139
81 HG11 VAL 8 1HG1 VAL 8 9.978 4.267 -12.015
82 HG12 VAL 8 2HG1 VAL 8 11.689 4.596 -12.293
83 HG13 VAL 8 3HG1 VAL 8 10.598 5.909 -11.848
84 HG21 VAL 8 3HG2 VAL 8 11.856 3.717 -14.220
85 HG22 VAL 8 1HG2 VAL 8 10.288 3.410 -14.966
86 HG23 VAL 8 2HG2 VAL 8 11.377 4.608 -15.665
87 H GLY 9 H GLY 9 7.094 4.068 -15.410
88 HA2 GLY 9 2HA GLY 9 8.125 4.897 -18.037
89 HA3 GLY 9 3HA GLY 9 7.081 3.516 -17.739
90 H ARG 10 H ARG 10 6.676 6.827 -16.562
91 HA ARG 10 HA ARG 10 4.012 6.863 -17.752
92 HB2 ARG 10 2HB ARG 10 5.112 9.068 -16.047
93 HB3 ARG 10 3HB ARG 10 3.451 8.516 -16.213
94 HG2 ARG 10 2HG ARG 10 3.755 7.472 -14.277
95 HG3 ARG 10 3HG ARG 10 4.739 6.316 -15.178
96 HD2 ARG 10 2HD ARG 10 6.681 7.123 -14.349
97 HD3 ARG 10 3HD ARG 10 6.105 8.789 -14.338
98 HE ARG 10 HE ARG 10 6.078 6.961 -12.159
99 HH11 ARG 10 1HH1 ARG 10 4.320 9.598 -13.600
100 HH12 ARG 10 2HH1 ARG 10 3.603 10.107 -12.108
101 HH21 ARG 10 1HH2 ARG 10 5.140 7.622 -10.188
102 HH22 ARG 10 2HH2 ARG 10 4.071 8.983 -10.167
Start of MODEL 10
1 H1 LEU 1 H LEU 1 1.403 -0.492 0.711
2 HA LEU 1 HA LEU 1 1.560 0.865 -1.897
3 HB2 LEU 1 2HB LEU 1 3.436 1.339 -0.181
4 HB3 LEU 1 3HB LEU 1 3.972 -0.298 -0.555
5 HG LEU 1 HG LEU 1 3.544 1.378 -2.917
6 HD11 LEU 1 1HD1 LEU 1 5.196 2.948 -2.622
7 HD12 LEU 1 2HD1 LEU 1 5.974 2.047 -1.322
8 HD13 LEU 1 3HD1 LEU 1 4.466 2.910 -1.017
9 HD21 LEU 1 3HD2 LEU 1 5.062 -0.872 -2.095
10 HD22 LEU 1 1HD2 LEU 1 6.185 0.375 -2.636
11 HD23 LEU 1 2HD2 LEU 1 4.903 -0.183 -3.711
12 H TYR 2 H TYR 2 2.833 -0.523 -3.506
13 HA TYR 2 HA TYR 2 2.122 -3.358 -3.129
14 HB2 TYR 2 2HB TYR 2 2.121 -2.957 -5.868
15 HB3 TYR 2 3HB TYR 2 0.697 -3.083 -4.841
16 HD1 TYR 2 HD2 TYR 2 3.208 -0.438 -5.692
17 HD2 TYR 2 HD1 TYR 2 -0.893 -1.465 -5.212
18 HE1 TYR 2 HE2 TYR 2 2.568 1.855 -6.309
19 HE2 TYR 2 HE1 TYR 2 -1.545 0.824 -5.829
20 HH TYR 2 HH TYR 2 0.625 3.387 -5.938
21 H ARG 3 H ARG 3 3.642 -2.130 -6.003
22 HA ARG 3 HA ARG 3 6.337 -2.418 -5.291
23 HB2 ARG 3 2HB ARG 3 6.934 -4.572 -5.976
24 HB3 ARG 3 3HB ARG 3 5.450 -4.826 -5.066
25 HG2 ARG 3 2HG ARG 3 5.664 -4.675 -8.067
26 HG3 ARG 3 3HG ARG 3 5.500 -6.151 -7.113
27 HD2 ARG 3 2HD ARG 3 3.368 -5.041 -6.178
28 HD3 ARG 3 3HD ARG 3 3.501 -3.965 -7.568
29 HE ARG 3 HE ARG 3 3.660 -6.413 -8.689
30 HH11 ARG 3 1HH1 ARG 3 1.418 -4.968 -6.451
31 HH12 ARG 3 2HH1 ARG 3 0.069 -5.911 -6.992
32 HH21 ARG 3 1HH2 ARG 3 1.891 -7.660 -9.410
33 HH22 ARG 3 2HH2 ARG 3 0.339 -7.442 -8.674
34 H ARG 4 H ARG 4 4.194 -1.139 -7.105
35 HA ARG 4 HA ARG 4 5.825 -1.166 -9.560
36 HB2 ARG 4 2HB ARG 4 2.841 -1.051 -9.208
37 HB3 ARG 4 3HB ARG 4 3.606 -0.435 -10.667
38 HG2 ARG 4 2HG ARG 4 3.823 -2.475 -11.505
39 HG3 ARG 4 3HG ARG 4 4.581 -3.070 -10.027
40 HD2 ARG 4 2HD ARG 4 2.662 -4.364 -10.181
41 HD3 ARG 4 3HD ARG 4 2.181 -3.077 -9.075
42 HE ARG 4 HE ARG 4 0.684 -2.331 -10.644
43 HH11 ARG 4 1HH1 ARG 4 2.898 -4.567 -12.133
44 HH12 ARG 4 2HH1 ARG 4 2.015 -4.652 -13.622
45 HH21 ARG 4 1HH2 ARG 4 -0.487 -2.434 -12.598
46 HH22 ARG 4 2HH2 ARG 4 0.091 -3.438 -13.885
47 H ARG 5 H ARG 5 5.146 0.605 -6.934
48 HA ARG 5 HA ARG 5 4.320 3.099 -7.573
49 HB2 ARG 5 2HB ARG 5 5.680 3.957 -5.795
50 HB3 ARG 5 3HB ARG 5 5.146 2.346 -5.336
51 HG2 ARG 5 2HG ARG 5 7.505 1.769 -6.521
52 HG3 ARG 5 3HG ARG 5 7.848 3.367 -5.855
53 HD2 ARG 5 2HD ARG 5 6.460 1.926 -3.868
54 HD3 ARG 5 3HD ARG 5 7.694 0.845 -4.514
55 HE ARG 5 HE ARG 5 8.628 3.499 -3.864
56 HH11 ARG 5 1HH1 ARG 5 8.118 0.246 -2.733
57 HH12 ARG 5 2HH1 ARG 5 9.296 0.362 -1.468
58 HH21 ARG 5 1HH2 ARG 5 10.181 3.664 -2.203
59 HH22 ARG 5 2HH2 ARG 5 10.469 2.307 -1.167
60 H PHE 6 H PHE 6 7.390 1.644 -8.450
61 HA PHE 6 HA PHE 6 8.760 3.914 -9.314
62 HB2 PHE 6 2HB PHE 6 10.334 2.395 -9.786
63 HB3 PHE 6 3HB PHE 6 9.180 1.137 -9.357
64 HD1 PHE 6 HD2 PHE 6 7.508 0.475 -11.274
65 HD2 PHE 6 HD1 PHE 6 11.270 2.371 -11.882
66 HE1 PHE 6 HE2 PHE 6 7.544 -0.348 -13.592
67 HE2 PHE 6 HE1 PHE 6 11.312 1.551 -14.201
68 HZ PHE 6 HZ PHE 6 9.448 0.189 -15.059
69 H VAL 7 H VAL 7 6.605 1.743 -11.120
70 HA VAL 7 HA VAL 7 6.194 1.979 -13.479
71 HB VAL 7 HB VAL 7 4.214 3.688 -13.450
72 HG11 VAL 7 1HG1 VAL 7 4.219 1.121 -13.325
73 HG12 VAL 7 2HG1 VAL 7 3.931 1.346 -11.599
74 HG13 VAL 7 3HG1 VAL 7 2.779 1.978 -12.775
75 HG21 VAL 7 3HG2 VAL 7 3.972 3.254 -10.578
76 HG22 VAL 7 1HG2 VAL 7 5.316 4.311 -11.010
77 HG23 VAL 7 2HG2 VAL 7 3.679 4.708 -11.532
78 H VAL 8 H VAL 8 8.543 3.408 -13.146
79 HA VAL 8 HA VAL 8 8.423 6.135 -13.762
80 HB VAL 8 HB VAL 8 10.712 6.013 -14.350
81 HG11 VAL 8 1HG1 VAL 8 9.905 4.066 -12.225
82 HG12 VAL 8 2HG1 VAL 8 11.609 4.339 -12.594
83 HG13 VAL 8 3HG1 VAL 8 10.596 5.679 -12.056
84 HG21 VAL 8 3HG2 VAL 8 11.623 3.495 -14.543
85 HG22 VAL 8 1HG2 VAL 8 10.007 3.279 -15.216
86 HG23 VAL 8 2HG2 VAL 8 11.114 4.449 -15.937
87 H GLY 9 H GLY 9 6.810 4.077 -15.442
88 HA2 GLY 9 2HA GLY 9 7.729 4.906 -18.110
89 HA3 GLY 9 3HA GLY 9 6.630 3.577 -17.775
90 H ARG 10 H ARG 10 6.477 6.882 -16.522
91 HA ARG 10 HA ARG 10 3.761 7.088 -17.582
92 HB2 ARG 10 2HB ARG 10 5.010 9.183 -15.849
93 HB3 ARG 10 3HB ARG 10 3.331 8.666 -15.941
94 HG2 ARG 10 2HG ARG 10 3.757 7.601 -14.029
95 HG3 ARG 10 3HG ARG 10 4.565 6.405 -15.045
96 HD2 ARG 10 2HD ARG 10 5.970 7.110 -13.162
97 HD3 ARG 10 3HD ARG 10 6.692 7.525 -14.716
98 HE ARG 10 HE ARG 10 6.580 9.722 -14.118
99 HH11 ARG 10 1HH1 ARG 10 4.349 7.918 -12.147
100 HH12 ARG 10 2HH1 ARG 10 3.933 9.272 -11.149
101 HH21 ARG 10 1HH2 ARG 10 6.042 11.512 -12.811
102 HH22 ARG 10 2HH2 ARG 10 4.896 11.316 -11.528
Start of MODEL 11
1 H1 LEU 1 H LEU 1 1.909 -0.051 1.073
2 HA LEU 1 HA LEU 1 1.789 1.053 -1.588
3 HB2 LEU 1 2HB LEU 1 3.773 1.067 0.065
4 HB3 LEU 1 3HB LEU 1 4.057 -0.577 -0.503
5 HG LEU 1 HG LEU 1 3.793 1.395 -2.652
6 HD11 LEU 1 1HD1 LEU 1 6.339 1.961 -2.057
7 HD12 LEU 1 2HD1 LEU 1 5.686 1.827 -0.425
8 HD13 LEU 1 3HD1 LEU 1 4.985 2.977 -1.563
9 HD21 LEU 1 3HD2 LEU 1 4.789 -0.333 -3.630
10 HD22 LEU 1 1HD2 LEU 1 5.105 -1.100 -2.074
11 HD23 LEU 1 2HD2 LEU 1 6.253 0.068 -2.731
12 H TYR 2 H TYR 2 2.785 -0.286 -3.413
13 HA TYR 2 HA TYR 2 1.712 -3.029 -3.322
14 HB2 TYR 2 2HB TYR 2 1.637 -2.305 -5.991
15 HB3 TYR 2 3HB TYR 2 0.259 -2.361 -4.897
16 HD1 TYR 2 HD2 TYR 2 3.070 0.005 -5.620
17 HD2 TYR 2 HD1 TYR 2 -1.103 -0.511 -4.972
18 HE1 TYR 2 HE2 TYR 2 2.728 2.420 -5.938
19 HE2 TYR 2 HE1 TYR 2 -1.457 1.902 -5.289
20 HH TYR 2 HH TYR 2 1.142 4.141 -5.404
21 H ARG 3 H ARG 3 3.245 -1.675 -6.130
22 HA ARG 3 HA ARG 3 5.911 -2.328 -5.654
23 HB2 ARG 3 2HB ARG 3 6.053 -4.457 -6.989
24 HB3 ARG 3 3HB ARG 3 5.298 -4.618 -5.408
25 HG2 ARG 3 2HG ARG 3 3.934 -5.878 -6.793
26 HG3 ARG 3 3HG ARG 3 3.078 -4.340 -6.669
27 HD2 ARG 3 2HD ARG 3 3.523 -3.760 -8.833
28 HD3 ARG 3 3HD ARG 3 5.032 -4.670 -8.880
29 HE ARG 3 HE ARG 3 2.399 -5.634 -9.537
30 HH11 ARG 3 1HH1 ARG 3 5.627 -6.506 -8.565
31 HH12 ARG 3 2HH1 ARG 3 5.519 -8.119 -9.187
32 HH21 ARG 3 1HH2 ARG 3 2.245 -7.755 -10.361
33 HH22 ARG 3 2HH2 ARG 3 3.595 -8.828 -10.210
34 H ARG 4 H ARG 4 3.948 -0.602 -7.164
35 HA ARG 4 HA ARG 4 5.295 -0.738 -9.782
36 HB2 ARG 4 2HB ARG 4 2.430 -0.124 -9.109
37 HB3 ARG 4 3HB ARG 4 3.154 0.454 -10.603
38 HG2 ARG 4 2HG ARG 4 2.900 -1.521 -11.574
39 HG3 ARG 4 3HG ARG 4 3.689 -2.349 -10.230
40 HD2 ARG 4 2HD ARG 4 1.496 -2.135 -8.986
41 HD3 ARG 4 3HD ARG 4 0.782 -1.627 -10.516
42 HE ARG 4 HE ARG 4 2.176 -4.065 -10.842
43 HH11 ARG 4 1HH1 ARG 4 -0.740 -2.740 -9.479
44 HH12 ARG 4 2HH1 ARG 4 -1.642 -4.210 -9.648
45 HH21 ARG 4 1HH2 ARG 4 0.999 -6.006 -11.071
46 HH22 ARG 4 2HH2 ARG 4 -0.651 -6.067 -10.553
47 H ARG 5 H ARG 5 5.032 0.965 -6.982
48 HA ARG 5 HA ARG 5 4.690 3.601 -7.485
49 HB2 ARG 5 2HB ARG 5 6.189 4.092 -5.682
50 HB3 ARG 5 3HB ARG 5 5.368 2.585 -5.300
51 HG2 ARG 5 2HG ARG 5 7.572 1.642 -6.542
52 HG3 ARG 5 3HG ARG 5 8.210 3.115 -5.809
53 HD2 ARG 5 2HD ARG 5 6.504 1.579 -4.012
54 HD3 ARG 5 3HD ARG 5 7.919 0.681 -4.561
55 HE ARG 5 HE ARG 5 8.467 3.353 -3.612
56 HH11 ARG 5 1HH1 ARG 5 8.190 -0.019 -2.791
57 HH12 ARG 5 2HH1 ARG 5 9.184 0.109 -1.378
58 HH21 ARG 5 1HH2 ARG 5 9.778 3.535 -1.753
59 HH22 ARG 5 2HH2 ARG 5 10.086 2.131 -0.788
60 H PHE 6 H PHE 6 7.412 1.631 -8.488
61 HA PHE 6 HA PHE 6 9.191 3.641 -9.252
62 HB2 PHE 6 2HB PHE 6 10.445 1.878 -9.820
63 HB3 PHE 6 3HB PHE 6 9.074 0.842 -9.436
64 HD1 PHE 6 HD1 PHE 6 7.296 0.609 -11.359
65 HD2 PHE 6 HD2 PHE 6 11.348 1.778 -11.929
66 HE1 PHE 6 HE1 PHE 6 7.162 -0.089 -13.714
67 HE2 PHE 6 HE2 PHE 6 11.221 1.083 -14.285
68 HZ PHE 6 HZ PHE 6 9.126 0.148 -15.181
69 H VAL 7 H VAL 7 6.653 2.017 -11.131
70 HA VAL 7 HA VAL 7 6.284 2.446 -13.470
71 HB VAL 7 HB VAL 7 4.667 4.497 -13.330
72 HG11 VAL 7 1HG1 VAL 7 4.182 1.973 -13.328
73 HG12 VAL 7 2HG1 VAL 7 3.950 2.163 -11.589
74 HG13 VAL 7 3HG1 VAL 7 2.935 3.061 -12.718
75 HG21 VAL 7 3HG2 VAL 7 4.357 3.977 -10.480
76 HG22 VAL 7 1HG2 VAL 7 5.880 4.773 -10.877
77 HG23 VAL 7 2HG2 VAL 7 4.349 5.505 -11.359
78 H VAL 8 H VAL 8 8.864 3.382 -13.101
79 HA VAL 8 HA VAL 8 9.269 6.108 -13.577
80 HB VAL 8 HB VAL 8 11.487 5.578 -14.214
81 HG11 VAL 8 1HG1 VAL 8 10.335 3.719 -12.171
82 HG12 VAL 8 2HG1 VAL 8 12.056 3.674 -12.558
83 HG13 VAL 8 3HG1 VAL 8 11.328 5.157 -11.938
84 HG21 VAL 8 3HG2 VAL 8 11.896 2.949 -14.548
85 HG22 VAL 8 1HG2 VAL 8 10.260 3.076 -15.194
86 HG23 VAL 8 2HG2 VAL 8 11.558 4.049 -15.884
87 H GLY 9 H GLY 9 7.289 4.465 -15.339
88 HA2 GLY 9 2HA GLY 9 8.333 5.101 -17.992
89 HA3 GLY 9 3HA GLY 9 6.862 4.207 -17.641
90 H ARG 10 H ARG 10 7.730 7.316 -16.241
91 HA ARG 10 HA ARG 10 5.309 8.449 -17.444
92 HB2 ARG 10 2HB ARG 10 6.924 9.847 -15.346
93 HB3 ARG 10 3HB ARG 10 5.197 9.934 -15.661
94 HG2 ARG 10 2HG ARG 10 6.617 7.547 -14.499
95 HG3 ARG 10 3HG ARG 10 5.740 8.762 -13.567
96 HD2 ARG 10 2HD ARG 10 3.986 7.934 -15.588
97 HD3 ARG 10 3HD ARG 10 4.740 6.462 -14.978
98 HE ARG 10 HE ARG 10 3.965 7.973 -12.776
99 HH11 ARG 10 1HH1 ARG 10 2.481 6.327 -15.461
100 HH12 ARG 10 2HH1 ARG 10 1.013 5.984 -14.607
101 HH21 ARG 10 1HH2 ARG 10 2.037 7.527 -11.642
102 HH22 ARG 10 2HH2 ARG 10 0.761 6.668 -12.436
Start of MODEL 12
1 H1 LEU 1 H LEU 1 0.244 -0.145 0.323
2 HA LEU 1 HA LEU 1 0.439 0.239 -1.911
3 HB2 LEU 1 2HB LEU 1 2.457 1.012 -2.775
4 HB3 LEU 1 3HB LEU 1 2.520 1.448 -1.069
5 HG LEU 1 HG LEU 1 3.741 -1.104 -1.381
6 HD11 LEU 1 1HD1 LEU 1 4.472 0.926 -3.448
7 HD12 LEU 1 2HD1 LEU 1 4.284 -0.820 -3.608
8 HD13 LEU 1 3HD1 LEU 1 5.699 -0.156 -2.790
9 HD21 LEU 1 3HD2 LEU 1 5.290 -0.180 -0.025
10 HD22 LEU 1 1HD2 LEU 1 4.069 1.079 0.154
11 HD23 LEU 1 2HD2 LEU 1 5.402 1.300 -0.979
12 H TYR 2 H TYR 2 2.189 -0.728 -3.828
13 HA TYR 2 HA TYR 2 1.921 -3.648 -3.526
14 HB2 TYR 2 2HB TYR 2 1.821 -3.259 -6.232
15 HB3 TYR 2 3HB TYR 2 0.414 -3.468 -5.194
16 HD1 TYR 2 HD1 TYR 2 2.709 -0.594 -5.892
17 HD2 TYR 2 HD2 TYR 2 -1.289 -2.050 -5.822
18 HE1 TYR 2 HE1 TYR 2 1.894 1.628 -6.560
19 HE2 TYR 2 HE2 TYR 2 -2.115 0.167 -6.491
20 HH TYR 2 HH TYR 2 -1.116 2.662 -6.215
21 H ARG 3 H ARG 3 3.211 -2.212 -6.398
22 HA ARG 3 HA ARG 3 5.927 -2.071 -5.702
23 HB2 ARG 3 2HB ARG 3 6.827 -4.108 -6.546
24 HB3 ARG 3 3HB ARG 3 5.547 -4.546 -5.423
25 HG2 ARG 3 2HG ARG 3 4.468 -4.296 -8.063
26 HG3 ARG 3 3HG ARG 3 5.866 -5.374 -8.081
27 HD2 ARG 3 2HD ARG 3 3.449 -5.596 -6.291
28 HD3 ARG 3 3HD ARG 3 3.831 -6.631 -7.666
29 HE ARG 3 HE ARG 3 4.926 -6.796 -5.021
30 HH11 ARG 3 1HH1 ARG 3 5.499 -7.476 -8.387
31 HH12 ARG 3 2HH1 ARG 3 6.627 -8.754 -8.071
32 HH21 ARG 3 1HH2 ARG 3 6.408 -8.476 -4.593
33 HH22 ARG 3 2HH2 ARG 3 7.142 -9.322 -5.913
34 H ARG 4 H ARG 4 3.834 -0.816 -7.349
35 HA ARG 4 HA ARG 4 5.242 -0.849 -9.938
36 HB2 ARG 4 2HB ARG 4 3.274 -0.766 -11.108
37 HB3 ARG 4 3HB ARG 4 2.743 -1.694 -9.712
38 HG2 ARG 4 2HG ARG 4 2.282 0.829 -8.849
39 HG3 ARG 4 3HG ARG 4 1.998 1.005 -10.582
40 HD2 ARG 4 2HD ARG 4 0.714 -1.061 -8.798
41 HD3 ARG 4 3HD ARG 4 -0.052 0.429 -9.348
42 HE ARG 4 HE ARG 4 0.748 -0.854 -11.635
43 HH11 ARG 4 1HH1 ARG 4 -1.292 -1.625 -8.922
44 HH12 ARG 4 2HH1 ARG 4 -2.331 -2.670 -9.833
45 HH21 ARG 4 1HH2 ARG 4 -0.612 -2.227 -12.846
46 HH22 ARG 4 2HH2 ARG 4 -1.943 -3.012 -12.065
47 H ARG 5 H ARG 5 4.524 0.931 -7.216
48 HA ARG 5 HA ARG 5 3.890 3.467 -7.924
49 HB2 ARG 5 2HB ARG 5 5.156 4.255 -6.029
50 HB3 ARG 5 3HB ARG 5 4.429 2.707 -5.620
51 HG2 ARG 5 2HG ARG 5 6.816 1.870 -6.529
52 HG3 ARG 5 3HG ARG 5 7.261 3.458 -5.900
53 HD2 ARG 5 2HD ARG 5 5.662 2.465 -3.912
54 HD3 ARG 5 3HD ARG 5 6.489 1.017 -4.485
55 HE ARG 5 HE ARG 5 7.616 3.119 -2.947
56 HH11 ARG 5 1HH1 ARG 5 8.346 0.851 -5.485
57 HH12 ARG 5 2HH1 ARG 5 10.042 0.806 -5.135
58 HH21 ARG 5 1HH2 ARG 5 9.847 3.068 -2.476
59 HH22 ARG 5 2HH2 ARG 5 10.895 2.066 -3.422
60 H PHE 6 H PHE 6 6.911 1.820 -8.561
61 HA PHE 6 HA PHE 6 8.482 4.030 -9.275
62 HB2 PHE 6 2HB PHE 6 10.029 2.440 -9.569
63 HB3 PHE 6 3HB PHE 6 8.785 1.240 -9.234
64 HD1 PHE 6 HD1 PHE 6 7.277 0.612 -11.295
65 HD2 PHE 6 HD2 PHE 6 11.163 2.328 -11.561
66 HE1 PHE 6 HE1 PHE 6 7.502 -0.261 -13.584
67 HE2 PHE 6 HE2 PHE 6 11.394 1.458 -13.851
68 HZ PHE 6 HZ PHE 6 9.562 0.162 -14.866
69 H VAL 7 H VAL 7 6.422 1.923 -11.257
70 HA VAL 7 HA VAL 7 6.260 2.132 -13.649
71 HB VAL 7 HB VAL 7 4.365 3.919 -13.848
72 HG11 VAL 7 1HG1 VAL 7 4.233 1.364 -13.671
73 HG12 VAL 7 2HG1 VAL 7 3.808 1.638 -11.980
74 HG13 VAL 7 3HG1 VAL 7 2.791 2.294 -13.264
75 HG21 VAL 7 3HG2 VAL 7 3.803 3.585 -11.014
76 HG22 VAL 7 1HG2 VAL 7 5.253 4.544 -11.313
77 HG23 VAL 7 2HG2 VAL 7 3.712 5.029 -12.022
78 H VAL 8 H VAL 8 8.627 3.461 -13.103
79 HA VAL 8 HA VAL 8 8.697 6.179 -13.764
80 HB VAL 8 HB VAL 8 11.024 5.940 -14.128
81 HG11 VAL 8 1HG1 VAL 8 9.923 4.075 -12.061
82 HG12 VAL 8 2HG1 VAL 8 11.666 4.261 -12.268
83 HG13 VAL 8 3HG1 VAL 8 10.672 5.657 -11.851
84 HG21 VAL 8 3HG2 VAL 8 11.829 3.381 -14.194
85 HG22 VAL 8 1HG2 VAL 8 10.276 3.224 -15.015
86 HG23 VAL 8 2HG2 VAL 8 11.499 4.327 -15.645
87 H GLY 9 H GLY 9 7.173 4.147 -15.571
88 HA2 GLY 9 2HA GLY 9 8.376 4.908 -18.144
89 HA3 GLY 9 3HA GLY 9 7.203 3.621 -17.904
90 H ARG 10 H ARG 10 7.039 6.942 -16.701
91 HA ARG 10 HA ARG 10 4.440 7.223 -17.998
92 HB2 ARG 10 2HB ARG 10 5.654 9.307 -16.220
93 HB3 ARG 10 3HB ARG 10 3.960 8.901 -16.460
94 HG2 ARG 10 2HG ARG 10 4.096 7.817 -14.526
95 HG3 ARG 10 3HG ARG 10 5.012 6.589 -15.403
96 HD2 ARG 10 2HD ARG 10 6.981 7.216 -14.488
97 HD3 ARG 10 3HD ARG 10 6.552 8.926 -14.479
98 HE ARG 10 HE ARG 10 5.021 7.516 -12.565
99 HH11 ARG 10 1HH1 ARG 10 8.234 8.721 -13.153
100 HH12 ARG 10 2HH1 ARG 10 8.615 8.901 -11.473
101 HH21 ARG 10 1HH2 ARG 10 5.511 7.748 -10.349
102 HH22 ARG 10 2HH2 ARG 10 7.066 8.346 -9.878
Start of MODEL 13
1 H1 LEU 1 H LEU 1 2.250 -0.746 0.966
2 HA LEU 1 HA LEU 1 1.173 0.730 -1.343
3 HB2 LEU 1 2HB LEU 1 3.336 1.034 -2.151
4 HB3 LEU 1 3HB LEU 1 3.475 1.311 -0.416
5 HG LEU 1 HG LEU 1 4.026 -1.433 -0.917
6 HD11 LEU 1 1HD1 LEU 1 6.131 -1.013 -2.292
7 HD12 LEU 1 2HD1 LEU 1 5.361 0.492 -2.792
8 HD13 LEU 1 3HD1 LEU 1 4.594 -1.054 -3.156
9 HD21 LEU 1 3HD2 LEU 1 6.020 0.717 -0.266
10 HD22 LEU 1 1HD2 LEU 1 6.009 -0.970 0.250
11 HD23 LEU 1 2HD2 LEU 1 4.823 0.160 0.904
12 H TYR 2 H TYR 2 2.584 -0.466 -3.366
13 HA TYR 2 HA TYR 2 1.653 -3.261 -3.275
14 HB2 TYR 2 2HB TYR 2 1.632 -2.550 -5.953
15 HB3 TYR 2 3HB TYR 2 0.224 -2.688 -4.906
16 HD1 TYR 2 HD1 TYR 2 2.910 -0.168 -5.588
17 HD2 TYR 2 HD2 TYR 2 -1.234 -0.911 -4.972
18 HE1 TYR 2 HE1 TYR 2 2.438 2.223 -5.919
19 HE2 TYR 2 HE2 TYR 2 -1.717 1.477 -5.303
20 HH TYR 2 HH TYR 2 -0.476 3.652 -5.089
21 H ARG 3 H ARG 3 3.219 -1.834 -6.034
22 HA ARG 3 HA ARG 3 5.891 -2.353 -5.485
23 HB2 ARG 3 2HB ARG 3 6.159 -4.499 -6.806
24 HB3 ARG 3 3HB ARG 3 5.439 -4.663 -5.210
25 HG2 ARG 3 2HG ARG 3 4.115 -6.027 -6.522
26 HG3 ARG 3 3HG ARG 3 3.188 -4.527 -6.457
27 HD2 ARG 3 2HD ARG 3 3.315 -5.519 -8.728
28 HD3 ARG 3 3HD ARG 3 3.969 -3.884 -8.634
29 HE ARG 3 HE ARG 3 6.029 -5.784 -8.269
30 HH11 ARG 3 1HH1 ARG 3 3.963 -4.430 -10.722
31 HH12 ARG 3 2HH1 ARG 3 5.087 -4.715 -12.010
32 HH21 ARG 3 1HH2 ARG 3 7.517 -6.164 -9.956
33 HH22 ARG 3 2HH2 ARG 3 7.107 -5.702 -11.573
34 H ARG 4 H ARG 4 3.894 -0.756 -7.077
35 HA ARG 4 HA ARG 4 5.308 -0.881 -9.660
36 HB2 ARG 4 2HB ARG 4 2.403 -0.386 -9.064
37 HB3 ARG 4 3HB ARG 4 3.135 0.200 -10.552
38 HG2 ARG 4 2HG ARG 4 2.993 -1.802 -11.492
39 HG3 ARG 4 3HG ARG 4 3.789 -2.570 -10.117
40 HD2 ARG 4 2HD ARG 4 1.708 -3.595 -10.149
41 HD3 ARG 4 3HD ARG 4 1.500 -2.321 -8.949
42 HE ARG 4 HE ARG 4 0.732 -1.281 -11.413
43 HH11 ARG 4 1HH1 ARG 4 -0.280 -3.771 -9.199
44 HH12 ARG 4 2HH1 ARG 4 -1.949 -3.676 -9.652
45 HH21 ARG 4 1HH2 ARG 4 -1.463 -1.147 -12.017
46 HH22 ARG 4 2HH2 ARG 4 -2.621 -2.184 -11.255
47 H ARG 5 H ARG 5 4.861 0.873 -6.901
48 HA ARG 5 HA ARG 5 4.434 3.480 -7.493
49 HB2 ARG 5 2HB ARG 5 5.843 4.079 -5.641
50 HB3 ARG 5 3HB ARG 5 5.032 2.568 -5.249
51 HG2 ARG 5 2HG ARG 5 7.336 1.665 -6.373
52 HG3 ARG 5 3HG ARG 5 7.879 3.148 -5.586
53 HD2 ARG 5 2HD ARG 5 6.550 2.258 -3.548
54 HD3 ARG 5 3HD ARG 5 6.645 0.704 -4.375
55 HE ARG 5 HE ARG 5 8.834 0.567 -3.751
56 HH11 ARG 5 1HH1 ARG 5 7.825 3.893 -3.552
57 HH12 ARG 5 2HH1 ARG 5 9.309 4.437 -2.842
58 HH21 ARG 5 1HH2 ARG 5 10.792 1.270 -2.818
59 HH22 ARG 5 2HH2 ARG 5 10.997 2.944 -2.426
60 H PHE 6 H PHE 6 7.267 1.594 -8.325
61 HA PHE 6 HA PHE 6 9.001 3.662 -9.055
62 HB2 PHE 6 2HB PHE 6 10.357 1.940 -9.506
63 HB3 PHE 6 3HB PHE 6 9.015 0.856 -9.155
64 HD1 PHE 6 HD1 PHE 6 7.345 0.487 -11.152
65 HD2 PHE 6 HD2 PHE 6 11.367 1.817 -11.565
66 HE1 PHE 6 HE1 PHE 6 7.358 -0.287 -13.487
67 HE2 PHE 6 HE2 PHE 6 11.386 1.046 -13.901
68 HZ PHE 6 HZ PHE 6 9.379 -0.007 -14.865
69 H VAL 7 H VAL 7 6.631 1.872 -11.002
70 HA VAL 7 HA VAL 7 6.361 2.213 -13.368
71 HB VAL 7 HB VAL 7 4.652 4.192 -13.373
72 HG11 VAL 7 1HG1 VAL 7 4.274 1.653 -13.310
73 HG12 VAL 7 2HG1 VAL 7 3.956 1.883 -11.590
74 HG13 VAL 7 3HG1 VAL 7 2.955 2.701 -12.790
75 HG21 VAL 7 3HG2 VAL 7 4.221 3.753 -10.527
76 HG22 VAL 7 1HG2 VAL 7 5.731 4.596 -10.874
77 HG23 VAL 7 2HG2 VAL 7 4.200 5.251 -11.457
78 H VAL 8 H VAL 8 8.877 3.273 -12.906
79 HA VAL 8 HA VAL 8 9.188 5.999 -13.448
80 HB VAL 8 HB VAL 8 11.456 5.549 -13.961
81 HG11 VAL 8 1HG1 VAL 8 10.285 3.702 -11.917
82 HG12 VAL 8 2HG1 VAL 8 12.023 3.723 -12.219
83 HG13 VAL 8 3HG1 VAL 8 11.203 5.189 -11.683
84 HG21 VAL 8 3HG2 VAL 8 11.999 2.936 -14.194
85 HG22 VAL 8 1HG2 VAL 8 10.388 2.961 -14.911
86 HG23 VAL 8 2HG2 VAL 8 11.666 3.975 -15.579
87 H GLY 9 H GLY 9 7.371 4.217 -15.250
88 HA2 GLY 9 2HA GLY 9 8.516 4.820 -17.869
89 HA3 GLY 9 3HA GLY 9 7.069 3.872 -17.561
90 H ARG 10 H ARG 10 7.732 7.058 -16.220
91 HA ARG 10 HA ARG 10 5.327 8.045 -17.573
92 HB2 ARG 10 2HB ARG 10 6.776 9.576 -15.447
93 HB3 ARG 10 3HB ARG 10 5.063 9.576 -15.846
94 HG2 ARG 10 2HG ARG 10 6.527 7.291 -14.543
95 HG3 ARG 10 3HG ARG 10 5.555 8.493 -13.692
96 HD2 ARG 10 2HD ARG 10 3.958 7.504 -15.788
97 HD3 ARG 10 3HD ARG 10 4.719 6.103 -15.034
98 HE ARG 10 HE ARG 10 3.659 7.856 -13.073
99 HH11 ARG 10 1HH1 ARG 10 2.731 5.473 -15.436
100 HH12 ARG 10 2HH1 ARG 10 1.293 5.004 -14.590
101 HH21 ARG 10 1HH2 ARG 10 1.769 7.247 -11.950
102 HH22 ARG 10 2HH2 ARG 10 0.747 6.015 -12.608
Start of MODEL 14
1 H1 LEU 1 H LEU 1 1.880 -0.265 1.121
2 HA LEU 1 HA LEU 1 2.115 1.288 -1.365
3 HB2 LEU 1 2HB LEU 1 4.195 1.225 0.168
4 HB3 LEU 1 3HB LEU 1 4.347 -0.445 -0.372
5 HG LEU 1 HG LEU 1 4.063 1.484 -2.555
6 HD11 LEU 1 1HD1 LEU 1 6.010 2.677 -2.324
7 HD12 LEU 1 2HD1 LEU 1 6.716 1.520 -1.196
8 HD13 LEU 1 3HD1 LEU 1 5.450 2.621 -0.652
9 HD21 LEU 1 3HD2 LEU 1 6.460 -0.046 -2.609
10 HD22 LEU 1 1HD2 LEU 1 5.009 -0.230 -3.595
11 HD23 LEU 1 2HD2 LEU 1 5.145 -1.086 -2.060
12 H TYR 2 H TYR 2 2.931 -0.169 -3.197
13 HA TYR 2 HA TYR 2 1.685 -2.829 -2.956
14 HB2 TYR 2 2HB TYR 2 1.532 -2.186 -5.643
15 HB3 TYR 2 3HB TYR 2 0.207 -2.117 -4.487
16 HD1 TYR 2 HD1 TYR 2 3.131 0.035 -5.408
17 HD2 TYR 2 HD2 TYR 2 -1.034 -0.184 -4.566
18 HE1 TYR 2 HE1 TYR 2 2.932 2.456 -5.791
19 HE2 TYR 2 HE2 TYR 2 -1.245 2.236 -4.949
20 HH TYR 2 HH TYR 2 0.185 4.237 -4.909
21 H ARG 3 H ARG 3 3.174 -1.670 -5.874
22 HA ARG 3 HA ARG 3 5.802 -2.555 -5.464
23 HB2 ARG 3 2HB ARG 3 5.880 -4.715 -6.327
24 HB3 ARG 3 3HB ARG 3 4.423 -4.744 -5.343
25 HG2 ARG 3 2HG ARG 3 4.542 -4.404 -8.333
26 HG3 ARG 3 3HG ARG 3 4.055 -5.859 -7.461
27 HD2 ARG 3 2HD ARG 3 2.219 -4.523 -6.419
28 HD3 ARG 3 3HD ARG 3 2.657 -3.189 -7.486
29 HE ARG 3 HE ARG 3 1.588 -4.263 -9.196
30 HH11 ARG 3 1HH1 ARG 3 2.196 -6.543 -6.637
31 HH12 ARG 3 2HH1 ARG 3 1.280 -7.815 -7.375
32 HH21 ARG 3 1HH2 ARG 3 0.379 -5.929 -10.178
33 HH22 ARG 3 2HH2 ARG 3 0.247 -7.464 -9.390
34 H ARG 4 H ARG 4 3.766 -0.755 -6.978
35 HA ARG 4 HA ARG 4 5.145 -0.876 -9.580
36 HB2 ARG 4 2HB ARG 4 2.338 0.038 -8.938
37 HB3 ARG 4 3HB ARG 4 3.113 0.273 -10.499
38 HG2 ARG 4 2HG ARG 4 2.167 -2.249 -9.217
39 HG3 ARG 4 3HG ARG 4 1.865 -1.632 -10.843
40 HD2 ARG 4 2HD ARG 4 4.443 -1.927 -11.121
41 HD3 ARG 4 3HD ARG 4 4.271 -3.029 -9.755
42 HE ARG 4 HE ARG 4 2.349 -3.673 -11.697
43 HH11 ARG 4 1HH1 ARG 4 5.793 -3.779 -11.197
44 HH12 ARG 4 2HH1 ARG 4 6.033 -5.145 -12.235
45 HH21 ARG 4 1HH2 ARG 4 2.653 -5.472 -13.066
46 HH22 ARG 4 2HH2 ARG 4 4.246 -6.107 -13.298
47 H ARG 5 H ARG 5 5.106 0.757 -6.773
48 HA ARG 5 HA ARG 5 4.815 3.418 -7.156
49 HB2 ARG 5 2HB ARG 5 6.464 3.797 -5.462
50 HB3 ARG 5 3HB ARG 5 5.632 2.298 -5.069
51 HG2 ARG 5 2HG ARG 5 7.698 1.340 -6.513
52 HG3 ARG 5 3HG ARG 5 8.439 2.772 -5.795
53 HD2 ARG 5 2HD ARG 5 6.957 1.515 -3.756
54 HD3 ARG 5 3HD ARG 5 7.845 0.242 -4.592
55 HE ARG 5 HE ARG 5 9.414 2.565 -3.897
56 HH11 ARG 5 1HH1 ARG 5 8.296 -0.583 -2.917
57 HH12 ARG 5 2HH1 ARG 5 9.586 -0.833 -1.788
58 HH21 ARG 5 1HH2 ARG 5 11.117 2.247 -2.414
59 HH22 ARG 5 2HH2 ARG 5 11.190 0.777 -1.501
60 H PHE 6 H PHE 6 7.396 1.410 -8.429
61 HA PHE 6 HA PHE 6 9.168 3.393 -9.266
62 HB2 PHE 6 2HB PHE 6 10.316 1.615 -9.993
63 HB3 PHE 6 3HB PHE 6 8.946 0.607 -9.540
64 HD1 PHE 6 HD1 PHE 6 7.018 0.498 -11.323
65 HD2 PHE 6 HD2 PHE 6 11.049 1.571 -12.169
66 HE1 PHE 6 HE1 PHE 6 6.680 -0.106 -13.684
67 HE2 PHE 6 HE2 PHE 6 10.717 0.970 -14.531
68 HZ PHE 6 HZ PHE 6 8.530 0.131 -15.292
69 H VAL 7 H VAL 7 6.441 1.915 -10.995
70 HA VAL 7 HA VAL 7 5.904 2.442 -13.281
71 HB VAL 7 HB VAL 7 4.369 4.532 -12.940
72 HG11 VAL 7 1HG1 VAL 7 3.806 2.024 -12.990
73 HG12 VAL 7 2HG1 VAL 7 3.716 2.155 -11.232
74 HG13 VAL 7 3HG1 VAL 7 2.645 3.123 -12.246
75 HG21 VAL 7 3HG2 VAL 7 4.268 3.911 -10.095
76 HG22 VAL 7 1HG2 VAL 7 5.777 4.681 -10.584
77 HG23 VAL 7 2HG2 VAL 7 4.235 5.472 -10.915
78 H VAL 8 H VAL 8 8.534 3.289 -13.084
79 HA VAL 8 HA VAL 8 8.986 6.018 -13.493
80 HB VAL 8 HB VAL 8 11.129 5.450 -14.323
81 HG11 VAL 8 1HG1 VAL 8 10.082 3.548 -12.262
82 HG12 VAL 8 2HG1 VAL 8 11.766 3.468 -12.786
83 HG13 VAL 8 3HG1 VAL 8 11.137 4.947 -12.058
84 HG21 VAL 8 3HG2 VAL 8 11.431 2.827 -14.783
85 HG22 VAL 8 1HG2 VAL 8 9.752 3.019 -15.287
86 HG23 VAL 8 2HG2 VAL 8 11.017 3.984 -16.048
87 H GLY 9 H GLY 9 6.824 4.499 -15.151
88 HA2 GLY 9 2HA GLY 9 7.677 5.210 -17.853
89 HA3 GLY 9 3HA GLY 9 6.214 4.339 -17.421
90 H ARG 10 H ARG 10 7.275 7.371 -15.981
91 HA ARG 10 HA ARG 10 4.810 8.614 -16.976
92 HB2 ARG 10 2HB ARG 10 6.546 9.898 -14.911
93 HB3 ARG 10 3HB ARG 10 4.800 9.968 -15.103
94 HG2 ARG 10 2HG ARG 10 6.345 7.569 -14.141
95 HG3 ARG 10 3HG ARG 10 5.479 8.711 -13.111
96 HD2 ARG 10 2HD ARG 10 4.354 6.786 -15.127
97 HD3 ARG 10 3HD ARG 10 4.032 6.869 -13.396
98 HE ARG 10 HE ARG 10 3.152 9.259 -14.282
99 HH11 ARG 10 1HH1 ARG 10 2.565 5.985 -15.312
100 HH12 ARG 10 2HH1 ARG 10 0.963 6.314 -15.883
101 HH21 ARG 10 1HH2 ARG 10 1.043 9.704 -15.030
102 HH22 ARG 10 2HH2 ARG 10 0.098 8.429 -15.723
Start of MODEL 15
1 H1 LEU 1 H LEU 1 1.530 0.243 0.901
2 HA LEU 1 HA LEU 1 1.461 1.314 -1.789
3 HB2 LEU 1 2HB LEU 1 3.429 1.366 -0.119
4 HB3 LEU 1 3HB LEU 1 3.703 -0.300 -0.626
5 HG LEU 1 HG LEU 1 3.479 1.598 -2.846
6 HD11 LEU 1 1HD1 LEU 1 5.882 1.786 -1.041
7 HD12 LEU 1 2HD1 LEU 1 4.592 2.987 -1.096
8 HD13 LEU 1 3HD1 LEU 1 5.578 2.686 -2.527
9 HD21 LEU 1 3HD2 LEU 1 4.559 -0.089 -3.797
10 HD22 LEU 1 1HD2 LEU 1 4.656 -0.913 -2.240
11 HD23 LEU 1 2HD2 LEU 1 5.941 0.189 -2.735
12 H TYR 2 H TYR 2 2.475 -0.099 -3.554
13 HA TYR 2 HA TYR 2 1.357 -2.821 -3.389
14 HB2 TYR 2 2HB TYR 2 1.338 -2.208 -6.078
15 HB3 TYR 2 3HB TYR 2 -0.058 -2.166 -5.007
16 HD1 TYR 2 HD2 TYR 2 2.851 0.083 -5.718
17 HD2 TYR 2 HD1 TYR 2 -1.363 -0.292 -5.268
18 HE1 TYR 2 HE2 TYR 2 2.596 2.490 -6.156
19 HE2 TYR 2 HE1 TYR 2 -1.630 2.113 -5.706
20 HH TYR 2 HH TYR 2 1.081 4.266 -5.855
21 H ARG 3 H ARG 3 2.957 -1.616 -6.221
22 HA ARG 3 HA ARG 3 5.604 -2.320 -5.644
23 HB2 ARG 3 2HB ARG 3 5.851 -4.480 -6.626
24 HB3 ARG 3 3HB ARG 3 4.544 -4.593 -5.455
25 HG2 ARG 3 2HG ARG 3 3.492 -3.903 -8.031
26 HG3 ARG 3 3HG ARG 3 4.503 -5.344 -8.149
27 HD2 ARG 3 2HD ARG 3 2.190 -4.921 -6.260
28 HD3 ARG 3 3HD ARG 3 2.202 -5.961 -7.684
29 HE ARG 3 HE ARG 3 3.240 -6.580 -5.097
30 HH11 ARG 3 1HH1 ARG 3 3.640 -7.173 -8.505
31 HH12 ARG 3 2HH1 ARG 3 4.385 -8.721 -8.281
32 HH21 ARG 3 1HH2 ARG 3 4.219 -8.617 -4.790
33 HH22 ARG 3 2HH2 ARG 3 4.713 -9.542 -6.167
34 H ARG 4 H ARG 4 3.670 -0.594 -7.255
35 HA ARG 4 HA ARG 4 5.124 -0.760 -9.814
36 HB2 ARG 4 2HB ARG 4 2.282 0.137 -9.308
37 HB3 ARG 4 3HB ARG 4 3.115 0.304 -10.847
38 HG2 ARG 4 2HG ARG 4 2.166 -2.174 -9.474
39 HG3 ARG 4 3HG ARG 4 1.865 -1.623 -11.123
40 HD2 ARG 4 2HD ARG 4 4.508 -1.868 -11.268
41 HD3 ARG 4 3HD ARG 4 4.211 -3.040 -9.984
42 HE ARG 4 HE ARG 4 3.685 -3.391 -12.742
43 HH11 ARG 4 1HH1 ARG 4 2.385 -4.104 -9.591
44 HH12 ARG 4 2HH1 ARG 4 1.554 -5.531 -10.114
45 HH21 ARG 4 1HH2 ARG 4 2.595 -5.268 -13.441
46 HH22 ARG 4 2HH2 ARG 4 1.675 -6.193 -12.304
47 H ARG 5 H ARG 5 4.888 0.946 -7.040
48 HA ARG 5 HA ARG 5 4.584 3.589 -7.524
49 HB2 ARG 5 2HB ARG 5 6.130 4.046 -5.744
50 HB3 ARG 5 3HB ARG 5 5.263 2.567 -5.351
51 HG2 ARG 5 2HG ARG 5 7.433 1.569 -6.632
52 HG3 ARG 5 3HG ARG 5 8.114 3.005 -5.864
53 HD2 ARG 5 2HD ARG 5 7.122 2.242 -3.711
54 HD3 ARG 5 3HD ARG 5 6.628 0.754 -4.519
55 HE ARG 5 HE ARG 5 9.263 0.813 -5.015
56 HH11 ARG 5 1HH1 ARG 5 7.435 1.247 -2.084
57 HH12 ARG 5 2HH1 ARG 5 8.681 0.616 -1.059
58 HH21 ARG 5 1HH2 ARG 5 10.911 -0.020 -3.676
59 HH22 ARG 5 2HH2 ARG 5 10.658 -0.104 -1.966
60 H PHE 6 H PHE 6 7.270 1.586 -8.562
61 HA PHE 6 HA PHE 6 9.069 3.571 -9.337
62 HB2 PHE 6 2HB PHE 6 10.287 1.792 -9.933
63 HB3 PHE 6 3HB PHE 6 8.905 0.775 -9.540
64 HD1 PHE 6 HD2 PHE 6 7.102 0.584 -11.443
65 HD2 PHE 6 HD1 PHE 6 11.165 1.696 -12.052
66 HE1 PHE 6 HE2 PHE 6 6.930 -0.095 -13.802
67 HE2 PHE 6 HE1 PHE 6 11.000 1.020 -14.412
68 HZ PHE 6 HZ PHE 6 8.881 0.122 -15.290
69 H VAL 7 H VAL 7 6.484 2.001 -11.199
70 HA VAL 7 HA VAL 7 6.096 2.452 -13.530
71 HB VAL 7 HB VAL 7 4.513 4.528 -13.356
72 HG11 VAL 7 1HG1 VAL 7 3.989 2.011 -13.368
73 HG12 VAL 7 2HG1 VAL 7 3.778 2.192 -11.625
74 HG13 VAL 7 3HG1 VAL 7 2.766 3.114 -12.738
75 HG21 VAL 7 3HG2 VAL 7 4.229 3.988 -10.507
76 HG22 VAL 7 1HG2 VAL 7 5.757 4.767 -10.917
77 HG23 VAL 7 2HG2 VAL 7 4.230 5.524 -11.374
78 H VAL 8 H VAL 8 8.694 3.345 -13.184
79 HA VAL 8 HA VAL 8 9.136 6.069 -13.645
80 HB VAL 8 HB VAL 8 11.338 5.509 -14.311
81 HG11 VAL 8 1HG1 VAL 8 10.181 3.653 -12.268
82 HG12 VAL 8 2HG1 VAL 8 11.897 3.585 -12.675
83 HG13 VAL 8 3HG1 VAL 8 11.198 5.074 -12.036
84 HG21 VAL 8 3HG2 VAL 8 11.704 2.877 -14.668
85 HG22 VAL 8 1HG2 VAL 8 10.062 3.031 -15.293
86 HG23 VAL 8 2HG2 VAL 8 11.365 3.991 -15.993
87 H GLY 9 H GLY 9 7.111 4.468 -15.396
88 HA2 GLY 9 2HA GLY 9 8.135 5.107 -18.057
89 HA3 GLY 9 3HA GLY 9 6.654 4.234 -17.695
90 H ARG 10 H ARG 10 7.586 7.319 -16.283
91 HA ARG 10 HA ARG 10 5.171 8.499 -17.452
92 HB2 ARG 10 2HB ARG 10 6.830 9.855 -15.361
93 HB3 ARG 10 3HB ARG 10 5.101 9.972 -15.657
94 HG2 ARG 10 2HG ARG 10 6.496 7.554 -14.528
95 HG3 ARG 10 3HG ARG 10 5.647 8.776 -13.578
96 HD2 ARG 10 2HD ARG 10 3.861 7.990 -15.587
97 HD3 ARG 10 3HD ARG 10 4.596 6.502 -14.992
98 HE ARG 10 HE ARG 10 3.506 6.794 -12.992
99 HH11 ARG 10 1HH1 ARG 10 3.309 9.722 -14.866
100 HH12 ARG 10 2HH1 ARG 10 2.161 10.476 -13.809
101 HH21 ARG 10 1HH2 ARG 10 1.995 7.776 -11.593
102 HH22 ARG 10 2HH2 ARG 10 1.415 9.368 -11.947
Start of MODEL 16
1 H1 LEU 1 H LEU 1 1.658 0.100 0.988
2 HA LEU 1 HA LEU 1 1.673 1.414 -1.637
3 HB2 LEU 1 2HB LEU 1 3.670 1.433 -0.002
4 HB3 LEU 1 3HB LEU 1 3.913 -0.233 -0.520
5 HG LEU 1 HG LEU 1 3.675 1.677 -2.728
6 HD11 LEU 1 1HD1 LEU 1 5.794 2.735 -2.441
7 HD12 LEU 1 2HD1 LEU 1 6.112 1.824 -0.965
8 HD13 LEU 1 3HD1 LEU 1 4.837 3.042 -0.992
9 HD21 LEU 1 3HD2 LEU 1 4.715 -0.021 -3.704
10 HD22 LEU 1 1HD2 LEU 1 4.830 -0.852 -2.153
11 HD23 LEU 1 2HD2 LEU 1 6.120 0.235 -2.668
12 H TYR 2 H TYR 2 2.636 -0.003 -3.426
13 HA TYR 2 HA TYR 2 1.487 -2.712 -3.252
14 HB2 TYR 2 2HB TYR 2 1.428 -2.087 -5.938
15 HB3 TYR 2 3HB TYR 2 0.052 -2.033 -4.842
16 HD1 TYR 2 HD1 TYR 2 2.975 0.184 -5.597
17 HD2 TYR 2 HD2 TYR 2 -1.234 -0.141 -5.065
18 HE1 TYR 2 HE1 TYR 2 2.741 2.595 -6.020
19 HE2 TYR 2 HE2 TYR 2 -1.479 2.269 -5.488
20 HH TYR 2 HH TYR 2 1.048 4.415 -5.412
21 H ARG 3 H ARG 3 3.051 -1.515 -6.107
22 HA ARG 3 HA ARG 3 5.699 -2.254 -5.581
23 HB2 ARG 3 2HB ARG 3 5.901 -4.413 -6.581
24 HB3 ARG 3 3HB ARG 3 4.620 -4.515 -5.380
25 HG2 ARG 3 2HG ARG 3 3.524 -3.802 -7.935
26 HG3 ARG 3 3HG ARG 3 4.506 -5.263 -8.069
27 HD2 ARG 3 2HD ARG 3 3.218 -5.988 -5.922
28 HD3 ARG 3 3HD ARG 3 2.054 -4.765 -6.434
29 HE ARG 3 HE ARG 3 1.386 -6.159 -8.122
30 HH11 ARG 3 1HH1 ARG 3 4.433 -7.274 -6.860
31 HH12 ARG 3 2HH1 ARG 3 4.418 -8.749 -7.768
32 HH21 ARG 3 1HH2 ARG 3 1.354 -8.098 -9.323
33 HH22 ARG 3 2HH2 ARG 3 2.667 -9.216 -9.170
34 H ARG 4 H ARG 4 3.757 -0.498 -7.151
35 HA ARG 4 HA ARG 4 5.162 -0.672 -9.736
36 HB2 ARG 4 2HB ARG 4 2.341 0.258 -9.175
37 HB3 ARG 4 3HB ARG 4 3.148 0.420 -10.729
38 HG2 ARG 4 2HG ARG 4 2.194 -2.051 -9.348
39 HG3 ARG 4 3HG ARG 4 1.869 -1.489 -10.989
40 HD2 ARG 4 2HD ARG 4 4.506 -1.767 -11.183
41 HD3 ARG 4 3HD ARG 4 4.218 -2.939 -9.898
42 HE ARG 4 HE ARG 4 3.637 -3.274 -12.647
43 HH11 ARG 4 1HH1 ARG 4 2.387 -3.982 -9.476
44 HH12 ARG 4 2HH1 ARG 4 1.529 -5.397 -9.987
45 HH21 ARG 4 1HH2 ARG 4 2.512 -5.135 -13.333
46 HH22 ARG 4 2HH2 ARG 4 1.601 -6.053 -12.181
47 H ARG 5 H ARG 5 4.997 1.026 -6.953
48 HA ARG 5 HA ARG 5 4.718 3.675 -7.423
49 HB2 ARG 5 2HB ARG 5 6.299 4.106 -5.667
50 HB3 ARG 5 3HB ARG 5 5.422 2.636 -5.264
51 HG2 ARG 5 2HG ARG 5 7.558 1.619 -6.588
52 HG3 ARG 5 3HG ARG 5 8.268 3.043 -5.825
53 HD2 ARG 5 2HD ARG 5 7.309 2.282 -3.659
54 HD3 ARG 5 3HD ARG 5 6.774 0.806 -4.463
55 HE ARG 5 HE ARG 5 9.399 0.824 -5.011
56 HH11 ARG 5 1HH1 ARG 5 7.637 1.275 -2.042
57 HH12 ARG 5 2HH1 ARG 5 8.893 0.618 -1.045
58 HH21 ARG 5 1HH2 ARG 5 11.059 -0.043 -3.708
59 HH22 ARG 5 2HH2 ARG 5 10.839 -0.130 -1.994
60 H PHE 6 H PHE 6 7.360 1.642 -8.514
61 HA PHE 6 HA PHE 6 9.169 3.608 -9.314
62 HB2 PHE 6 2HB PHE 6 10.354 1.815 -9.936
63 HB3 PHE 6 3HB PHE 6 8.965 0.815 -9.524
64 HD1 PHE 6 HD1 PHE 6 7.128 0.653 -11.396
65 HD2 PHE 6 HD2 PHE 6 11.194 1.715 -12.071
66 HE1 PHE 6 HE1 PHE 6 6.907 -0.014 -13.753
67 HE2 PHE 6 HE2 PHE 6 10.979 1.051 -14.430
68 HZ PHE 6 HZ PHE 6 8.833 0.185 -15.275
69 H VAL 7 H VAL 7 6.533 2.077 -11.136
70 HA VAL 7 HA VAL 7 6.110 2.542 -13.458
71 HB VAL 7 HB VAL 7 4.556 4.637 -13.249
72 HG11 VAL 7 1HG1 VAL 7 4.001 2.127 -13.261
73 HG12 VAL 7 2HG1 VAL 7 3.822 2.304 -11.514
74 HG13 VAL 7 3HG1 VAL 7 2.802 3.242 -12.606
75 HG21 VAL 7 3HG2 VAL 7 4.315 4.089 -10.397
76 HG22 VAL 7 1HG2 VAL 7 5.845 4.851 -10.830
77 HG23 VAL 7 2HG2 VAL 7 4.321 5.628 -11.258
78 H VAL 8 H VAL 8 8.725 3.401 -13.154
79 HA VAL 8 HA VAL 8 9.192 6.120 -13.613
80 HB VAL 8 HB VAL 8 11.375 5.536 -14.319
81 HG11 VAL 8 1HG1 VAL 8 10.230 3.686 -12.263
82 HG12 VAL 8 2HG1 VAL 8 11.938 3.598 -12.700
83 HG13 VAL 8 3HG1 VAL 8 11.270 5.093 -12.044
84 HG21 VAL 8 3HG2 VAL 8 11.706 2.904 -14.695
85 HG22 VAL 8 1HG2 VAL 8 10.052 3.075 -15.284
86 HG23 VAL 8 2HG2 VAL 8 11.349 4.025 -16.009
87 H GLY 9 H GLY 9 7.118 4.553 -15.334
88 HA2 GLY 9 2HA GLY 9 8.103 5.190 -18.010
89 HA3 GLY 9 3HA GLY 9 6.618 4.332 -17.625
90 H ARG 10 H ARG 10 7.611 7.401 -16.218
91 HA ARG 10 HA ARG 10 5.189 8.613 -17.338
92 HB2 ARG 10 2HB ARG 10 6.905 9.944 -15.276
93 HB3 ARG 10 3HB ARG 10 5.171 10.081 -15.538
94 HG2 ARG 10 2HG ARG 10 6.559 7.643 -14.443
95 HG3 ARG 10 3HG ARG 10 5.746 8.873 -13.473
96 HD2 ARG 10 2HD ARG 10 3.921 8.096 -15.466
97 HD3 ARG 10 3HD ARG 10 4.637 6.610 -14.842
98 HE ARG 10 HE ARG 10 3.951 8.172 -12.651
99 HH11 ARG 10 1HH1 ARG 10 2.357 6.566 -15.297
100 HH12 ARG 10 2HH1 ARG 10 0.889 6.294 -14.418
101 HH21 ARG 10 1HH2 ARG 10 2.023 7.820 -11.484
102 HH22 ARG 10 2HH2 ARG 10 0.700 7.008 -12.250
Start of MODEL 17
1 H1 LEU 1 H LEU 1 0.720 0.477 -0.364
2 HA LEU 1 HA LEU 1 1.269 1.563 -3.039
3 HB2 LEU 1 2HB LEU 1 3.104 1.946 -1.269
4 HB3 LEU 1 3HB LEU 1 3.401 0.215 -1.419
5 HG LEU 1 HG LEU 1 3.367 1.638 -3.977
6 HD11 LEU 1 1HD1 LEU 1 4.365 3.312 -2.347
7 HD12 LEU 1 2HD1 LEU 1 5.356 2.863 -3.735
8 HD13 LEU 1 3HD1 LEU 1 5.691 2.166 -2.150
9 HD21 LEU 1 3HD2 LEU 1 4.503 -0.682 -2.777
10 HD22 LEU 1 1HD2 LEU 1 5.803 0.312 -3.435
11 HD23 LEU 1 2HD2 LEU 1 4.480 -0.213 -4.477
12 H TYR 2 H TYR 2 2.424 -0.156 -4.413
13 HA TYR 2 HA TYR 2 1.261 -2.801 -3.833
14 HB2 TYR 2 2HB TYR 2 1.445 -2.759 -6.562
15 HB3 TYR 2 3HB TYR 2 -0.019 -2.412 -5.649
16 HD1 TYR 2 HD2 TYR 2 3.061 -0.408 -6.338
17 HD2 TYR 2 HD1 TYR 2 -1.170 -0.697 -6.679
18 HE1 TYR 2 HE2 TYR 2 2.992 1.848 -7.317
19 HE2 TYR 2 HE1 TYR 2 -1.251 1.558 -7.659
20 HH TYR 2 HH TYR 2 0.493 3.047 -8.995
21 H ARG 3 H ARG 3 3.073 -2.231 -6.716
22 HA ARG 3 HA ARG 3 5.620 -3.000 -5.632
23 HB2 ARG 3 2HB ARG 3 3.907 -4.977 -7.104
24 HB3 ARG 3 3HB ARG 3 5.660 -5.065 -7.213
25 HG2 ARG 3 2HG ARG 3 5.529 -6.360 -5.407
26 HG3 ARG 3 3HG ARG 3 5.259 -4.860 -4.517
27 HD2 ARG 3 2HD ARG 3 2.770 -5.235 -5.132
28 HD3 ARG 3 3HD ARG 3 3.270 -6.897 -5.443
29 HE ARG 3 HE ARG 3 4.083 -5.882 -2.874
30 HH11 ARG 3 1HH1 ARG 3 1.567 -7.476 -4.675
31 HH12 ARG 3 2HH1 ARG 3 0.865 -8.227 -3.281
32 HH21 ARG 3 1HH2 ARG 3 3.168 -6.865 -1.030
33 HH22 ARG 3 2HH2 ARG 3 1.775 -7.878 -1.208
34 H ARG 4 H ARG 4 3.868 -1.312 -7.716
35 HA ARG 4 HA ARG 4 5.971 -1.305 -9.781
36 HB2 ARG 4 2HB ARG 4 2.994 -0.982 -10.021
37 HB3 ARG 4 3HB ARG 4 4.072 -0.310 -11.238
38 HG2 ARG 4 2HG ARG 4 4.340 -2.289 -12.201
39 HG3 ARG 4 3HG ARG 4 4.742 -3.055 -10.663
40 HD2 ARG 4 2HD ARG 4 2.825 -4.185 -11.293
41 HD3 ARG 4 3HD ARG 4 2.192 -2.936 -10.222
42 HE ARG 4 HE ARG 4 1.113 -1.991 -12.011
43 HH11 ARG 4 1HH1 ARG 4 3.463 -4.288 -13.161
44 HH12 ARG 4 2HH1 ARG 4 2.917 -4.221 -14.804
45 HH21 ARG 4 1HH2 ARG 4 0.385 -1.894 -14.170
46 HH22 ARG 4 2HH2 ARG 4 1.167 -2.858 -15.377
47 H ARG 5 H ARG 5 5.484 0.259 -7.204
48 HA ARG 5 HA ARG 5 4.713 2.831 -7.486
49 HB2 ARG 5 2HB ARG 5 6.331 3.453 -5.802
50 HB3 ARG 5 3HB ARG 5 5.698 1.856 -5.429
51 HG2 ARG 5 2HG ARG 5 7.891 1.240 -6.919
52 HG3 ARG 5 3HG ARG 5 8.419 2.699 -6.078
53 HD2 ARG 5 2HD ARG 5 7.249 0.241 -4.778
54 HD3 ARG 5 3HD ARG 5 8.960 0.664 -4.819
55 HE ARG 5 HE ARG 5 7.303 2.709 -3.672
56 HH11 ARG 5 1HH1 ARG 5 9.052 -0.235 -3.046
57 HH12 ARG 5 2HH1 ARG 5 9.250 0.088 -1.355
58 HH21 ARG 5 1HH2 ARG 5 7.558 3.147 -1.448
59 HH22 ARG 5 2HH2 ARG 5 8.399 2.012 -0.447
60 H PHE 6 H PHE 6 7.644 1.399 -8.795
61 HA PHE 6 HA PHE 6 9.001 3.704 -9.563
62 HB2 PHE 6 2HB PHE 6 10.460 2.203 -10.355
63 HB3 PHE 6 3HB PHE 6 9.309 0.939 -9.935
64 HD1 PHE 6 HD1 PHE 6 7.417 0.542 -11.724
65 HD2 PHE 6 HD2 PHE 6 11.183 2.355 -12.528
66 HE1 PHE 6 HE1 PHE 6 7.183 -0.036 -14.104
67 HE2 PHE 6 HE2 PHE 6 10.955 1.780 -14.909
68 HZ PHE 6 HZ PHE 6 8.953 0.584 -15.700
69 H VAL 7 H VAL 7 6.587 1.811 -11.351
70 HA VAL 7 HA VAL 7 5.953 2.308 -13.618
71 HB VAL 7 HB VAL 7 4.064 4.069 -13.212
72 HG11 VAL 7 1HG1 VAL 7 4.060 1.445 -13.252
73 HG12 VAL 7 2HG1 VAL 7 3.758 1.633 -11.523
74 HG13 VAL 7 3HG1 VAL 7 2.646 2.340 -12.696
75 HG21 VAL 7 3HG2 VAL 7 4.109 3.354 -10.383
76 HG22 VAL 7 1HG2 VAL 7 5.431 4.419 -10.860
77 HG23 VAL 7 2HG2 VAL 7 3.760 4.900 -11.156
78 H VAL 8 H VAL 8 8.386 3.612 -13.386
79 HA VAL 8 HA VAL 8 8.332 6.391 -13.705
80 HB VAL 8 HB VAL 8 10.541 6.250 -14.545
81 HG11 VAL 8 1HG1 VAL 8 9.865 4.121 -12.552
82 HG12 VAL 8 2HG1 VAL 8 11.533 4.371 -13.070
83 HG13 VAL 8 3HG1 VAL 8 10.643 5.683 -12.296
84 HG21 VAL 8 3HG2 VAL 8 11.313 3.739 -15.087
85 HG22 VAL 8 1HG2 VAL 8 9.626 3.644 -15.596
86 HG23 VAL 8 2HG2 VAL 8 10.698 4.845 -16.315
87 H GLY 9 H GLY 9 6.481 4.554 -15.419
88 HA2 GLY 9 2HA GLY 9 7.156 5.642 -18.065
89 HA3 GLY 9 3HA GLY 9 6.037 4.322 -17.754
90 H ARG 10 H ARG 10 6.150 7.468 -16.144
91 HA ARG 10 HA ARG 10 3.354 7.877 -16.873
92 HB2 ARG 10 2HB ARG 10 4.904 9.738 -15.112
93 HB3 ARG 10 3HB ARG 10 3.193 9.333 -15.069
94 HG2 ARG 10 2HG ARG 10 3.698 8.021 -13.349
95 HG3 ARG 10 3HG ARG 10 4.414 6.928 -14.536
96 HD2 ARG 10 2HD ARG 10 6.529 7.465 -13.951
97 HD3 ARG 10 3HD ARG 10 6.126 9.154 -13.646
98 HE ARG 10 HE ARG 10 5.033 7.392 -11.678
99 HH11 ARG 10 1HH1 ARG 10 7.905 9.096 -12.660
100 HH12 ARG 10 2HH1 ARG 10 8.569 9.166 -11.061
101 HH21 ARG 10 1HH2 ARG 10 5.895 7.477 -9.568
102 HH22 ARG 10 2HH2 ARG 10 7.425 8.243 -9.303
Start of MODEL 18
1 H1 LEU 1 H LEU 1 1.901 1.147 0.064
2 HA LEU 1 HA LEU 1 0.736 1.560 -2.483
3 HB2 LEU 1 2HB LEU 1 2.900 1.639 -3.316
4 HB3 LEU 1 3HB LEU 1 3.075 2.189 -1.651
5 HG LEU 1 HG LEU 1 3.489 -0.622 -1.692
6 HD11 LEU 1 1HD1 LEU 1 5.602 -0.517 -3.135
7 HD12 LEU 1 2HD1 LEU 1 4.855 0.890 -3.890
8 HD13 LEU 1 3HD1 LEU 1 4.049 -0.677 -3.955
9 HD21 LEU 1 3HD2 LEU 1 5.552 1.551 -1.411
10 HD22 LEU 1 1HD2 LEU 1 5.555 -0.056 -0.684
11 HD23 LEU 1 2HD2 LEU 1 4.390 1.154 -0.144
12 H TYR 2 H TYR 2 2.107 -0.067 -4.223
13 HA TYR 2 HA TYR 2 1.052 -2.749 -3.606
14 HB2 TYR 2 2HB TYR 2 0.999 -2.640 -6.341
15 HB3 TYR 2 3HB TYR 2 -0.388 -2.352 -5.295
16 HD1 TYR 2 HD2 TYR 2 2.575 -0.266 -6.223
17 HD2 TYR 2 HD1 TYR 2 -1.663 -0.631 -6.151
18 HE1 TYR 2 HE2 TYR 2 2.370 2.009 -7.132
19 HE2 TYR 2 HE1 TYR 2 -1.880 1.644 -7.062
20 HH TYR 2 HH TYR 2 0.968 3.675 -7.629
21 H ARG 3 H ARG 3 2.590 -2.087 -6.623
22 HA ARG 3 HA ARG 3 5.243 -2.795 -5.796
23 HB2 ARG 3 2HB ARG 3 3.449 -4.830 -7.078
24 HB3 ARG 3 3HB ARG 3 5.182 -4.866 -7.376
25 HG2 ARG 3 2HG ARG 3 5.295 -6.147 -5.560
26 HG3 ARG 3 3HG ARG 3 5.055 -4.655 -4.648
27 HD2 ARG 3 2HD ARG 3 2.536 -5.131 -5.000
28 HD3 ARG 3 3HD ARG 3 3.064 -6.772 -5.373
29 HE ARG 3 HE ARG 3 2.951 -5.543 -2.793
30 HH11 ARG 3 1HH1 ARG 3 4.599 -7.932 -4.715
31 HH12 ARG 3 2HH1 ARG 3 5.091 -8.881 -3.351
32 HH21 ARG 3 1HH2 ARG 3 3.592 -6.783 -0.989
33 HH22 ARG 3 2HH2 ARG 3 4.517 -8.227 -1.232
34 H ARG 4 H ARG 4 3.279 -1.134 -7.677
35 HA ARG 4 HA ARG 4 5.086 -1.169 -10.005
36 HB2 ARG 4 2HB ARG 4 2.182 -0.338 -9.867
37 HB3 ARG 4 3HB ARG 4 3.198 -0.228 -11.298
38 HG2 ARG 4 2HG ARG 4 2.192 -2.688 -9.910
39 HG3 ARG 4 3HG ARG 4 1.926 -2.175 -11.578
40 HD2 ARG 4 2HD ARG 4 4.573 -3.015 -10.398
41 HD3 ARG 4 3HD ARG 4 3.543 -4.018 -11.419
42 HE ARG 4 HE ARG 4 5.276 -1.880 -12.265
43 HH11 ARG 4 1HH1 ARG 4 2.495 -3.817 -13.059
44 HH12 ARG 4 2HH1 ARG 4 2.638 -3.556 -14.766
45 HH21 ARG 4 1HH2 ARG 4 5.475 -1.528 -14.510
46 HH22 ARG 4 2HH2 ARG 4 4.334 -2.254 -15.590
47 H ARG 5 H ARG 5 4.698 0.440 -7.278
48 HA ARG 5 HA ARG 5 4.231 3.074 -7.641
49 HB2 ARG 5 2HB ARG 5 5.739 3.549 -5.849
50 HB3 ARG 5 3HB ARG 5 5.028 1.972 -5.530
51 HG2 ARG 5 2HG ARG 5 7.232 1.212 -6.856
52 HG3 ARG 5 3HG ARG 5 7.815 2.711 -6.129
53 HD2 ARG 5 2HD ARG 5 6.726 1.746 -3.963
54 HD3 ARG 5 3HD ARG 5 6.856 0.207 -4.812
55 HE ARG 5 HE ARG 5 9.341 1.322 -5.020
56 HH11 ARG 5 1HH1 ARG 5 7.211 0.507 -2.390
57 HH12 ARG 5 2HH1 ARG 5 8.497 0.195 -1.272
58 HH21 ARG 5 1HH2 ARG 5 11.044 0.914 -3.558
59 HH22 ARG 5 2HH2 ARG 5 10.677 0.427 -1.937
60 H PHE 6 H PHE 6 7.044 1.302 -8.774
61 HA PHE 6 HA PHE 6 8.687 3.432 -9.496
62 HB2 PHE 6 2HB PHE 6 10.014 1.759 -10.160
63 HB3 PHE 6 3HB PHE 6 8.701 0.638 -9.818
64 HD1 PHE 6 HD2 PHE 6 6.918 0.403 -11.727
65 HD2 PHE 6 HD1 PHE 6 10.886 1.838 -12.284
66 HE1 PHE 6 HE2 PHE 6 6.787 -0.173 -14.115
67 HE2 PHE 6 HE1 PHE 6 10.761 1.265 -14.674
68 HZ PHE 6 HZ PHE 6 8.710 0.257 -15.592
69 H VAL 7 H VAL 7 6.202 1.754 -11.401
70 HA VAL 7 HA VAL 7 5.759 2.273 -13.709
71 HB VAL 7 HB VAL 7 4.025 4.211 -13.438
72 HG11 VAL 7 1HG1 VAL 7 3.680 1.675 -13.558
73 HG12 VAL 7 2HG1 VAL 7 3.505 1.749 -11.803
74 HG13 VAL 7 3HG1 VAL 7 2.394 2.646 -12.840
75 HG21 VAL 7 3HG2 VAL 7 3.808 3.543 -10.611
76 HG22 VAL 7 1HG2 VAL 7 5.273 4.446 -10.998
77 HG23 VAL 7 2HG2 VAL 7 3.693 5.108 -11.416
78 H VAL 8 H VAL 8 8.286 3.345 -13.340
79 HA VAL 8 HA VAL 8 8.514 6.112 -13.690
80 HB VAL 8 HB VAL 8 10.748 5.753 -14.380
81 HG11 VAL 8 1HG1 VAL 8 9.747 3.726 -12.419
82 HG12 VAL 8 2HG1 VAL 8 11.461 3.804 -12.834
83 HG13 VAL 8 3HG1 VAL 8 10.658 5.207 -12.128
84 HG21 VAL 8 3HG2 VAL 8 11.314 3.175 -14.856
85 HG22 VAL 8 1HG2 VAL 8 9.662 3.230 -15.471
86 HG23 VAL 8 2HG2 VAL 8 10.884 4.318 -16.128
87 H GLY 9 H GLY 9 6.593 4.457 -15.489
88 HA2 GLY 9 2HA GLY 9 7.537 5.419 -18.102
89 HA3 GLY 9 3HA GLY 9 6.278 4.220 -17.848
90 H ARG 10 H ARG 10 6.610 7.375 -16.283
91 HA ARG 10 HA ARG 10 3.919 8.043 -17.207
92 HB2 ARG 10 2HB ARG 10 5.485 9.771 -15.334
93 HB3 ARG 10 3HB ARG 10 3.751 9.490 -15.406
94 HG2 ARG 10 2HG ARG 10 4.084 8.193 -13.623
95 HG3 ARG 10 3HG ARG 10 4.694 7.009 -14.782
96 HD2 ARG 10 2HD ARG 10 6.234 7.332 -12.899
97 HD3 ARG 10 3HD ARG 10 6.961 7.802 -14.435
98 HE ARG 10 HE ARG 10 7.156 9.928 -13.632
99 HH11 ARG 10 1HH1 ARG 10 4.784 8.230 -11.731
100 HH12 ARG 10 2HH1 ARG 10 4.590 9.517 -10.587
101 HH21 ARG 10 1HH2 ARG 10 6.908 11.629 -12.133
102 HH22 ARG 10 2HH2 ARG 10 5.798 11.450 -10.817
Start of MODEL 19
1 H1 LEU 1 H LEU 1 3.813 -0.551 0.984
2 HA LEU 1 HA LEU 1 2.567 0.579 -1.353
3 HB2 LEU 1 2HB LEU 1 5.202 0.236 -0.383
4 HB3 LEU 1 3HB LEU 1 5.104 -0.593 -1.935
5 HG LEU 1 HG LEU 1 5.897 1.599 -2.361
6 HD11 LEU 1 1HD1 LEU 1 4.045 2.576 -3.710
7 HD12 LEU 1 2HD1 LEU 1 2.965 1.370 -3.011
8 HD13 LEU 1 3HD1 LEU 1 4.329 0.861 -4.007
9 HD21 LEU 1 3HD2 LEU 1 3.610 2.521 -0.633
10 HD22 LEU 1 1HD2 LEU 1 4.539 3.599 -1.675
11 HD23 LEU 1 2HD2 LEU 1 5.338 2.744 -0.355
12 H TYR 2 H TYR 2 3.562 -0.725 -3.476
13 HA TYR 2 HA TYR 2 2.510 -3.467 -3.241
14 HB2 TYR 2 2HB TYR 2 2.101 -2.633 -5.892
15 HB3 TYR 2 3HB TYR 2 0.875 -2.909 -4.659
16 HD1 TYR 2 HD1 TYR 2 3.225 -0.269 -5.858
17 HD2 TYR 2 HD2 TYR 2 -0.517 -1.161 -4.040
18 HE1 TYR 2 HE1 TYR 2 2.631 2.117 -5.924
19 HE2 TYR 2 HE2 TYR 2 -1.122 1.222 -4.102
20 HH TYR 2 HH TYR 2 1.138 3.660 -5.352
21 H ARG 3 H ARG 3 3.744 -1.915 -6.136
22 HA ARG 3 HA ARG 3 6.408 -2.687 -6.031
23 HB2 ARG 3 2HB ARG 3 6.561 -4.782 -7.028
24 HB3 ARG 3 3HB ARG 3 5.189 -4.975 -5.945
25 HG2 ARG 3 2HG ARG 3 5.028 -4.417 -8.900
26 HG3 ARG 3 3HG ARG 3 4.769 -5.981 -8.124
27 HD2 ARG 3 2HD ARG 3 3.131 -3.483 -7.708
28 HD3 ARG 3 3HD ARG 3 2.646 -4.907 -8.628
29 HE ARG 3 HE ARG 3 3.329 -5.545 -5.931
30 HH11 ARG 3 1HH1 ARG 3 0.804 -4.278 -7.965
31 HH12 ARG 3 2HH1 ARG 3 -0.474 -4.749 -6.894
32 HH21 ARG 3 1HH2 ARG 3 1.655 -6.170 -4.513
33 HH22 ARG 3 2HH2 ARG 3 0.011 -5.824 -4.931
34 H ARG 4 H ARG 4 4.066 -1.016 -7.291
35 HA ARG 4 HA ARG 4 5.239 -0.869 -9.990
36 HB2 ARG 4 2HB ARG 4 2.451 -0.202 -9.040
37 HB3 ARG 4 3HB ARG 4 3.059 0.210 -10.637
38 HG2 ARG 4 2HG ARG 4 2.422 -2.471 -9.491
39 HG3 ARG 4 3HG ARG 4 1.912 -1.754 -11.020
40 HD2 ARG 4 2HD ARG 4 4.316 -1.875 -11.752
41 HD3 ARG 4 3HD ARG 4 4.632 -2.828 -10.303
42 HE ARG 4 HE ARG 4 3.607 -4.627 -11.295
43 HH11 ARG 4 1HH1 ARG 4 2.914 -1.743 -13.118
44 HH12 ARG 4 2HH1 ARG 4 2.195 -2.596 -14.443
45 HH21 ARG 4 1HH2 ARG 4 2.663 -5.762 -13.033
46 HH22 ARG 4 2HH2 ARG 4 2.051 -4.882 -14.393
47 H ARG 5 H ARG 5 5.079 0.669 -7.046
48 HA ARG 5 HA ARG 5 4.699 3.325 -7.417
49 HB2 ARG 5 2HB ARG 5 6.338 3.739 -5.663
50 HB3 ARG 5 3HB ARG 5 5.375 2.320 -5.277
51 HG2 ARG 5 2HG ARG 5 7.516 1.251 -6.619
52 HG3 ARG 5 3HG ARG 5 8.239 2.577 -5.707
53 HD2 ARG 5 2HD ARG 5 6.317 0.946 -4.202
54 HD3 ARG 5 3HD ARG 5 7.766 0.086 -4.721
55 HE ARG 5 HE ARG 5 8.343 2.610 -3.495
56 HH11 ARG 5 1HH1 ARG 5 7.637 -0.745 -2.888
57 HH12 ARG 5 2HH1 ARG 5 8.429 -0.768 -1.347
58 HH21 ARG 5 1HH2 ARG 5 9.388 2.592 -1.467
59 HH22 ARG 5 2HH2 ARG 5 9.424 1.131 -0.540
60 H PHE 6 H PHE 6 7.386 1.420 -8.600
61 HA PHE 6 HA PHE 6 9.134 3.498 -9.296
62 HB2 PHE 6 2HB PHE 6 10.416 1.782 -9.944
63 HB3 PHE 6 3HB PHE 6 9.077 0.705 -9.563
64 HD1 PHE 6 HD1 PHE 6 7.265 0.490 -11.458
65 HD2 PHE 6 HD2 PHE 6 11.281 1.759 -12.070
66 HE1 PHE 6 HE1 PHE 6 7.100 -0.144 -13.829
67 HE2 PHE 6 HE2 PHE 6 11.123 1.128 -14.443
68 HZ PHE 6 HZ PHE 6 9.030 0.175 -15.326
69 H VAL 7 H VAL 7 6.599 1.881 -11.185
70 HA VAL 7 HA VAL 7 6.183 2.373 -13.504
71 HB VAL 7 HB VAL 7 4.526 4.381 -13.280
72 HG11 VAL 7 1HG1 VAL 7 4.087 1.853 -13.332
73 HG12 VAL 7 2HG1 VAL 7 3.900 1.988 -11.583
74 HG13 VAL 7 3HG1 VAL 7 2.835 2.896 -12.657
75 HG21 VAL 7 3HG2 VAL 7 4.265 3.799 -10.442
76 HG22 VAL 7 1HG2 VAL 7 5.781 4.610 -10.835
77 HG23 VAL 7 2HG2 VAL 7 4.244 5.347 -11.286
78 H VAL 8 H VAL 8 8.751 3.347 -13.148
79 HA VAL 8 HA VAL 8 9.097 6.094 -13.546
80 HB VAL 8 HB VAL 8 11.312 5.625 -14.238
81 HG11 VAL 8 1HG1 VAL 8 10.232 3.684 -12.232
82 HG12 VAL 8 2HG1 VAL 8 11.946 3.685 -12.649
83 HG13 VAL 8 3HG1 VAL 8 11.201 5.134 -11.973
84 HG21 VAL 8 3HG2 VAL 8 11.763 3.014 -14.656
85 HG22 VAL 8 1HG2 VAL 8 10.114 3.131 -15.272
86 HG23 VAL 8 2HG2 VAL 8 11.384 4.148 -15.953
87 H GLY 9 H GLY 9 7.119 4.464 -15.326
88 HA2 GLY 9 2HA GLY 9 8.104 5.205 -17.975
89 HA3 GLY 9 3HA GLY 9 6.657 4.270 -17.627
90 H ARG 10 H ARG 10 7.487 7.352 -16.145
91 HA ARG 10 HA ARG 10 5.023 8.471 -17.269
92 HB2 ARG 10 2HB ARG 10 6.650 9.839 -15.161
93 HB3 ARG 10 3HB ARG 10 4.915 9.899 -15.440
94 HG2 ARG 10 2HG ARG 10 6.406 7.508 -14.379
95 HG3 ARG 10 3HG ARG 10 5.525 8.677 -13.393
96 HD2 ARG 10 2HD ARG 10 3.762 7.855 -15.424
97 HD3 ARG 10 3HD ARG 10 4.539 6.393 -14.819
98 HE ARG 10 HE ARG 10 3.759 7.869 -12.605
99 HH11 ARG 10 1HH1 ARG 10 2.256 6.279 -15.314
100 HH12 ARG 10 2HH1 ARG 10 0.788 5.931 -14.462
101 HH21 ARG 10 1HH2 ARG 10 1.831 7.416 -11.473
102 HH22 ARG 10 2HH2 ARG 10 0.547 6.579 -12.278
Start of MODEL 20
1 H1 LEU 1 H LEU 1 3.904 -0.976 1.064
2 HA LEU 1 HA LEU 1 1.996 -0.333 -0.998
3 HB2 LEU 1 2HB LEU 1 3.772 0.566 -2.187
4 HB3 LEU 1 3HB LEU 1 4.217 0.845 -0.505
5 HG LEU 1 HG LEU 1 5.377 -1.609 -1.169
6 HD11 LEU 1 1HD1 LEU 1 6.046 -1.601 -3.290
7 HD12 LEU 1 2HD1 LEU 1 6.556 0.084 -3.202
8 HD13 LEU 1 3HD1 LEU 1 4.875 -0.310 -3.562
9 HD21 LEU 1 3HD2 LEU 1 7.436 -0.457 -0.793
10 HD22 LEU 1 1HD2 LEU 1 6.228 0.225 0.297
11 HD23 LEU 1 2HD2 LEU 1 6.695 1.101 -1.161
12 H TYR 2 H TYR 2 3.119 -1.120 -3.323
13 HA TYR 2 HA TYR 2 3.095 -4.063 -3.165
14 HB2 TYR 2 2HB TYR 2 2.246 -3.255 -5.744
15 HB3 TYR 2 3HB TYR 2 1.306 -4.071 -4.501
16 HD1 TYR 2 HD2 TYR 2 2.384 -0.674 -5.587
17 HD2 TYR 2 HD1 TYR 2 -0.539 -3.008 -3.560
18 HE1 TYR 2 HE2 TYR 2 0.953 1.315 -5.373
19 HE2 TYR 2 HE1 TYR 2 -1.979 -1.026 -3.341
20 HH TYR 2 HH TYR 2 -1.950 1.461 -5.007
21 H ARG 3 H ARG 3 3.583 -1.992 -5.977
22 HA ARG 3 HA ARG 3 6.386 -2.041 -6.034
23 HB2 ARG 3 2HB ARG 3 6.899 -3.785 -7.565
24 HB3 ARG 3 3HB ARG 3 5.910 -4.506 -6.302
25 HG2 ARG 3 2HG ARG 3 4.761 -3.554 -8.908
26 HG3 ARG 3 3HG ARG 3 5.387 -5.188 -8.675
27 HD2 ARG 3 2HD ARG 3 3.772 -4.944 -6.515
28 HD3 ARG 3 3HD ARG 3 2.912 -3.945 -7.686
29 HE ARG 3 HE ARG 3 2.354 -5.841 -8.844
30 HH11 ARG 3 1HH1 ARG 3 4.902 -6.581 -6.590
31 HH12 ARG 3 2HH1 ARG 3 4.817 -8.291 -6.855
32 HH21 ARG 3 1HH2 ARG 3 2.232 -8.091 -9.201
33 HH22 ARG 3 2HH2 ARG 3 3.299 -9.149 -8.341
34 H ARG 4 H ARG 4 3.915 -0.495 -6.730
35 HA ARG 4 HA ARG 4 4.683 0.235 -9.480
36 HB2 ARG 4 2HB ARG 4 1.970 0.113 -8.188
37 HB3 ARG 4 3HB ARG 4 2.264 1.130 -9.591
38 HG2 ARG 4 2HG ARG 4 2.117 -0.599 -10.970
39 HG3 ARG 4 3HG ARG 4 3.270 -1.538 -10.018
40 HD2 ARG 4 2HD ARG 4 1.339 -2.819 -9.908
41 HD3 ARG 4 3HD ARG 4 1.290 -1.902 -8.404
42 HE ARG 4 HE ARG 4 -0.612 -0.877 -9.142
43 HH11 ARG 4 1HH1 ARG 4 1.017 -2.319 -11.860
44 HH12 ARG 4 2HH1 ARG 4 -0.266 -1.983 -12.974
45 HH21 ARG 4 1HH2 ARG 4 -2.308 -0.428 -10.600
46 HH22 ARG 4 2HH2 ARG 4 -2.157 -0.906 -12.257
47 H ARG 5 H ARG 5 5.976 1.313 -7.266
48 HA ARG 5 HA ARG 5 4.939 4.072 -7.253
49 HB2 ARG 5 2HB ARG 5 6.269 4.214 -5.032
50 HB3 ARG 5 3HB ARG 5 4.695 3.429 -5.032
51 HG2 ARG 5 2HG ARG 5 6.131 2.071 -3.744
52 HG3 ARG 5 3HG ARG 5 5.906 1.241 -5.284
53 HD2 ARG 5 2HD ARG 5 8.055 1.676 -5.986
54 HD3 ARG 5 3HD ARG 5 8.214 3.099 -4.958
55 HE ARG 5 HE ARG 5 8.781 0.366 -4.246
56 HH11 ARG 5 1HH1 ARG 5 8.009 3.549 -3.067
57 HH12 ARG 5 2HH1 ARG 5 8.694 3.277 -1.499
58 HH21 ARG 5 1HH2 ARG 5 9.687 -0.005 -2.186
59 HH22 ARG 5 2HH2 ARG 5 9.649 1.255 -0.999
60 H PHE 6 H PHE 6 6.699 2.994 -9.213
61 HA PHE 6 HA PHE 6 9.164 4.486 -8.596
62 HB2 PHE 6 2HB PHE 6 10.361 2.963 -10.116
63 HB3 PHE 6 3HB PHE 6 9.623 2.090 -8.777
64 HD1 PHE 6 HD1 PHE 6 6.996 1.493 -9.435
65 HD2 PHE 6 HD2 PHE 6 10.315 1.803 -12.082
66 HE1 PHE 6 HE1 PHE 6 5.858 0.006 -11.031
67 HE2 PHE 6 HE2 PHE 6 9.181 0.318 -13.682
68 HZ PHE 6 HZ PHE 6 6.950 -0.582 -13.158
69 H VAL 7 H VAL 7 9.639 3.611 -11.608
70 HA VAL 7 HA VAL 7 9.123 6.147 -12.723
71 HB VAL 7 HB VAL 7 9.712 5.126 -14.889
72 HG11 VAL 7 1HG1 VAL 7 11.342 5.601 -12.791
73 HG12 VAL 7 2HG1 VAL 7 11.719 3.907 -13.113
74 HG13 VAL 7 3HG1 VAL 7 11.909 5.112 -14.387
75 HG21 VAL 7 3HG2 VAL 7 10.411 2.518 -13.780
76 HG22 VAL 7 1HG2 VAL 7 8.674 2.820 -13.831
77 HG23 VAL 7 2HG2 VAL 7 9.632 2.928 -15.308
78 H VAL 8 H VAL 8 6.970 3.770 -11.954
79 HA VAL 8 HA VAL 8 5.255 3.593 -14.151
80 HB VAL 8 HB VAL 8 3.469 3.379 -12.188
81 HG11 VAL 8 1HG1 VAL 8 5.539 1.508 -13.208
82 HG12 VAL 8 2HG1 VAL 8 4.537 0.983 -11.854
83 HG13 VAL 8 3HG1 VAL 8 3.785 1.457 -13.378
84 HG21 VAL 8 3HG2 VAL 8 5.175 2.237 -10.362
85 HG22 VAL 8 1HG2 VAL 8 6.029 3.707 -10.832
86 HG23 VAL 8 2HG2 VAL 8 4.388 3.806 -10.193
87 H GLY 9 H GLY 9 6.251 6.371 -13.206
88 HA2 GLY 9 2HA GLY 9 3.694 7.739 -12.845
89 HA3 GLY 9 3HA GLY 9 5.288 8.469 -12.727
90 H ARG 10 H ARG 10 4.176 6.456 -15.390
91 HA ARG 10 HA ARG 10 4.521 8.767 -17.171
92 HB2 ARG 10 2HB ARG 10 4.303 5.963 -18.183
93 HB3 ARG 10 3HB ARG 10 5.194 7.324 -18.850
94 HG2 ARG 10 2HG ARG 10 5.946 5.788 -16.372
95 HG3 ARG 10 3HG ARG 10 6.680 5.601 -17.965
96 HD2 ARG 10 2HD ARG 10 6.793 7.971 -16.121
97 HD3 ARG 10 3HD ARG 10 8.130 7.006 -16.744
98 HE ARG 10 HE ARG 10 6.873 9.226 -18.025
99 HH11 ARG 10 1HH1 ARG 10 8.526 6.216 -18.596
100 HH12 ARG 10 2HH1 ARG 10 9.102 6.679 -20.163
101 HH21 ARG 10 1HH2 ARG 10 7.625 9.847 -20.087
102 HH22 ARG 10 2HH2 ARG 10 8.589 8.745 -21.010