Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
654092 | 7jhf RC | 30778 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 H ILE 1 6.979 0.913 -4.265
2 HA ILE 1 HA ILE 1 5.677 3.199 -2.939
3 HB ILE 1 HB ILE 1 4.744 0.327 -2.980
4 HG12 ILE 1 HG12 ILE 1 2.838 1.622 -4.335
5 HG13 ILE 1 HG13 ILE 1 4.201 2.653 -4.756
6 HG21 ILE 1 HG21 ILE 1 3.806 1.182 -1.069
7 HG22 ILE 1 HG22 ILE 1 3.742 2.826 -1.705
8 HG23 ILE 1 HG23 ILE 1 2.580 1.621 -2.258
9 HD11 ILE 1 HD11 ILE 1 4.698 1.218 -6.360
10 HD12 ILE 1 HD12 ILE 1 5.096 0.031 -5.117
11 HD13 ILE 1 HD13 ILE 1 3.468 0.087 -5.793
12 H PHE 2 H PHE 2 5.647 3.323 -0.708
13 HA PHE 2 HA PHE 2 7.718 1.763 0.633
14 HB2 PHE 2 HB2 PHE 2 6.187 4.205 1.554
15 HB3 PHE 2 HB3 PHE 2 7.503 3.437 2.437
16 HD1 PHE 2 HD1 PHE 2 6.741 6.126 0.453
17 HD2 PHE 2 HD2 PHE 2 9.665 3.054 0.819
18 HE1 PHE 2 HE1 PHE 2 8.361 7.528 -0.757
19 HE2 PHE 2 HE2 PHE 2 11.289 4.452 -0.388
20 HZ PHE 2 HZ PHE 2 10.639 6.692 -1.177
21 H GLY 3 H GLY 3 6.281 -0.160 0.554
22 HA2 GLY 3 HA2 GLY 3 5.417 -1.547 2.358
23 HA3 GLY 3 HA3 GLY 3 4.493 -0.156 2.903
24 H THR 4 H THR 4 4.813 -2.486 0.261
25 HA THR 4 HA THR 4 2.556 -1.864 -1.207
26 HB THR 4 HB THR 4 2.518 -4.246 -1.912
27 HG1 THR 4 HG1 THR 4 3.465 -5.714 -0.717
28 HG21 THR 4 HG21 THR 4 5.401 -3.747 -1.944
29 HG22 THR 4 HG22 THR 4 4.260 -3.881 -3.282
30 HG23 THR 4 HG23 THR 4 4.434 -2.351 -2.422
31 H ILE 5 H ILE 5 2.829 -3.826 1.718
32 HA ILE 5 HA ILE 5 0.248 -4.872 1.794
33 HB ILE 5 HB ILE 5 1.950 -4.046 4.148
34 HG12 ILE 5 HG12 ILE 5 1.715 -6.776 2.876
35 HG13 ILE 5 HG13 ILE 5 2.994 -5.635 2.473
36 HG21 ILE 5 HG21 ILE 5 -0.350 -5.988 3.966
37 HG22 ILE 5 HG22 ILE 5 0.656 -5.719 5.389
38 HG23 ILE 5 HG23 ILE 5 -0.368 -4.422 4.775
39 HD11 ILE 5 HD11 ILE 5 3.499 -5.622 4.982
40 HD12 ILE 5 HD12 ILE 5 2.507 -7.079 5.045
41 HD13 ILE 5 HD13 ILE 5 3.959 -7.043 4.044
42 H LEU 6 H LEU 6 1.489 -1.866 3.242
43 HA LEU 6 HA LEU 6 -1.014 -1.032 4.276
44 HB2 LEU 6 HB2 LEU 6 1.443 -0.261 4.792
45 HB3 LEU 6 HB3 LEU 6 1.109 0.926 3.532
46 HG LEU 6 HG LEU 6 -0.989 1.472 4.971
47 HD11 LEU 6 HD11 LEU 6 0.173 -0.546 6.542
48 HD12 LEU 6 HD12 LEU 6 0.431 0.970 7.405
49 HD13 LEU 6 HD13 LEU 6 -1.201 0.484 6.943
50 HD21 LEU 6 HD21 LEU 6 0.137 3.282 5.805
51 HD22 LEU 6 HD22 LEU 6 1.547 2.332 6.271
52 HD23 LEU 6 HD23 LEU 6 1.281 2.742 4.576
53 H GLY 7 H GLY 7 0.784 -0.156 1.336
54 HA2 GLY 7 HA2 GLY 7 -0.962 1.768 0.338
55 HA3 GLY 7 HA3 GLY 7 0.076 0.750 -0.649
56 H PHE 8 H PHE 8 -1.116 -1.746 0.089
57 HA PHE 8 HA PHE 8 -3.056 -2.014 -1.866
58 HB2 PHE 8 HB2 PHE 8 -1.887 -3.939 -0.969
59 HB3 PHE 8 HB3 PHE 8 -2.615 -3.687 0.615
60 HD1 PHE 8 HD1 PHE 8 -4.657 -4.671 1.157
61 HD2 PHE 8 HD2 PHE 8 -3.417 -4.505 -2.912
62 HE1 PHE 8 HE1 PHE 8 -6.530 -6.138 0.530
63 HE2 PHE 8 HE2 PHE 8 -5.287 -5.972 -3.546
64 HZ PHE 8 HZ PHE 8 -6.847 -6.790 -1.824
65 H LEU 9 H LEU 9 -3.424 -1.283 1.559
66 HA LEU 9 HA LEU 9 -6.148 -1.618 1.876
67 HB2 LEU 9 HB2 LEU 9 -4.522 0.628 3.053
68 HB3 LEU 9 HB3 LEU 9 -6.017 -0.048 3.695
69 HG LEU 9 HG LEU 9 -3.362 -1.474 3.541
70 HD11 LEU 9 HD11 LEU 9 -3.051 -1.042 5.777
71 HD12 LEU 9 HD12 LEU 9 -3.777 0.469 5.229
72 HD13 LEU 9 HD13 LEU 9 -4.763 -0.730 6.066
73 HD21 LEU 9 HD21 LEU 9 -6.111 -2.322 4.320
74 HD22 LEU 9 HD22 LEU 9 -4.865 -3.205 3.437
75 HD23 LEU 9 HD23 LEU 9 -4.726 -2.994 5.182
76 H LYS 10 H LYS 10 -4.414 1.257 0.713
77 HA LYS 10 HA LYS 10 -6.861 2.685 0.188
78 HB2 LYS 10 HB2 LYS 10 -3.946 3.249 -0.260
79 HB3 LYS 10 HB3 LYS 10 -5.173 4.265 -1.003
80 HG2 LYS 10 HG2 LYS 10 -6.085 4.791 1.193
81 HG3 LYS 10 HG3 LYS 10 -4.878 3.748 1.949
82 HD2 LYS 10 HD2 LYS 10 -3.975 5.943 0.140
83 HD3 LYS 10 HD3 LYS 10 -4.499 6.341 1.779
84 HE2 LYS 10 HE2 LYS 10 -2.475 4.190 1.226
85 HE3 LYS 10 HE3 LYS 10 -2.013 5.881 1.412
86 HZ1 LYS 10 HZ1 LYS 10 -3.644 5.349 3.551
87 HZ2 LYS 10 HZ2 LYS 10 -2.678 3.967 3.411
88 HZ3 LYS 10 HZ3 LYS 10 -1.958 5.489 3.580
89 H GLY 11 H GLY 11 -4.485 0.865 -1.669
90 HA2 GLY 11 HA2 GLY 11 -5.897 -0.204 -3.616
91 HA3 GLY 11 HA3 GLY 11 -5.899 1.467 -4.160
92 H LEU 12 H LEU 12 -4.054 2.354 -5.039
93 HA LEU 12 HA LEU 12 -1.790 0.504 -5.401
94 HB2 LEU 12 HB2 LEU 12 -3.079 2.370 -7.374
95 HB3 LEU 12 HB3 LEU 12 -1.470 1.692 -7.618
96 HG LEU 12 HG LEU 12 -3.993 0.063 -7.331
97 HD11 LEU 12 HD11 LEU 12 -4.285 0.084 -9.563
98 HD12 LEU 12 HD12 LEU 12 -3.441 1.628 -9.451
99 HD13 LEU 12 HD13 LEU 12 -2.556 0.170 -9.898
100 HD21 LEU 12 HD21 LEU 12 -2.122 -1.225 -6.644
101 HD22 LEU 12 HD22 LEU 12 -2.501 -1.717 -8.295
102 HD23 LEU 12 HD23 LEU 12 -1.139 -0.638 -7.986
103 HN1 NH2 13 HN1 NH2 13 -1.885 2.314 -3.294
104 HN2 NH2 13 HN2 NH2 13 -0.726 3.551 -3.502
Start of MODEL 2
1 H1 ILE 1 H ILE 1 8.137 6.620 3.024
2 HA ILE 1 HA ILE 1 9.305 5.111 0.921
3 HB ILE 1 HB ILE 1 9.540 3.855 3.655
4 HG12 ILE 1 HG12 ILE 1 11.178 5.683 3.358
5 HG13 ILE 1 HG13 ILE 1 11.954 4.105 3.424
6 HG21 ILE 1 HG21 ILE 1 9.225 2.134 2.119
7 HG22 ILE 1 HG22 ILE 1 10.164 2.950 0.868
8 HG23 ILE 1 HG23 ILE 1 10.981 2.243 2.262
9 HD11 ILE 1 HD11 ILE 1 12.390 4.112 1.116
10 HD12 ILE 1 HD12 ILE 1 11.296 5.467 0.834
11 HD13 ILE 1 HD13 ILE 1 12.815 5.723 1.693
12 H PHE 2 H PHE 2 7.955 3.486 0.187
13 HA PHE 2 HA PHE 2 5.334 3.364 1.516
14 HB2 PHE 2 HB2 PHE 2 6.170 3.042 -1.359
15 HB3 PHE 2 HB3 PHE 2 4.603 2.478 -0.787
16 HD1 PHE 2 HD1 PHE 2 6.363 5.188 -2.157
17 HD2 PHE 2 HD2 PHE 2 3.196 4.254 0.529
18 HE1 PHE 2 HE1 PHE 2 5.450 7.453 -2.452
19 HE2 PHE 2 HE2 PHE 2 2.276 6.518 0.237
20 HZ PHE 2 HZ PHE 2 3.403 8.120 -1.256
21 H GLY 3 H GLY 3 4.183 1.319 1.493
22 HA2 GLY 3 HA2 GLY 3 5.982 -1.018 1.362
23 HA3 GLY 3 HA3 GLY 3 4.907 -0.770 2.730
24 H THR 4 H THR 4 5.072 -2.981 0.777
25 HA THR 4 HA THR 4 3.007 -2.930 -1.092
26 HB THR 4 HB THR 4 3.786 -5.381 0.487
27 HG1 THR 4 HG1 THR 4 5.692 -5.234 -0.402
28 HG21 THR 4 HG21 THR 4 2.273 -4.841 -1.971
29 HG22 THR 4 HG22 THR 4 3.483 -6.115 -2.119
30 HG23 THR 4 HG23 THR 4 2.223 -6.235 -0.892
31 H ILE 5 H ILE 5 2.938 -4.027 2.293
32 HA ILE 5 HA ILE 5 0.285 -4.840 2.410
33 HB ILE 5 HB ILE 5 1.876 -3.528 4.617
34 HG12 ILE 5 HG12 ILE 5 1.514 -6.477 4.084
35 HG13 ILE 5 HG13 ILE 5 2.897 -5.563 3.493
36 HG21 ILE 5 HG21 ILE 5 0.119 -5.449 5.646
37 HG22 ILE 5 HG22 ILE 5 0.021 -3.696 5.824
38 HG23 ILE 5 HG23 ILE 5 -0.824 -4.498 4.499
39 HD11 ILE 5 HD11 ILE 5 3.918 -5.742 5.444
40 HD12 ILE 5 HD12 ILE 5 2.513 -5.111 6.303
41 HD13 ILE 5 HD13 ILE 5 2.631 -6.835 5.952
42 H LEU 6 H LEU 6 1.674 -1.619 2.893
43 HA LEU 6 HA LEU 6 -0.769 -0.366 3.614
44 HB2 LEU 6 HB2 LEU 6 1.735 0.395 3.859
45 HB3 LEU 6 HB3 LEU 6 1.437 1.140 2.290
46 HG LEU 6 HG LEU 6 -0.639 2.167 3.550
47 HD11 LEU 6 HD11 LEU 6 1.128 2.341 5.880
48 HD12 LEU 6 HD12 LEU 6 -0.625 2.174 5.790
49 HD13 LEU 6 HD13 LEU 6 0.405 0.753 5.624
50 HD21 LEU 6 HD21 LEU 6 2.189 3.154 3.909
51 HD22 LEU 6 HD22 LEU 6 1.160 3.439 2.506
52 HD23 LEU 6 HD23 LEU 6 0.727 4.127 4.071
53 H GLY 7 H GLY 7 1.096 -0.350 0.570
54 HA2 GLY 7 HA2 GLY 7 -0.647 1.155 -0.972
55 HA3 GLY 7 HA3 GLY 7 0.415 -0.093 -1.607
56 H PHE 8 H PHE 8 -0.776 -2.288 -0.214
57 HA PHE 8 HA PHE 8 -2.683 -3.114 -2.042
58 HB2 PHE 8 HB2 PHE 8 -1.388 -4.556 -0.418
59 HB3 PHE 8 HB3 PHE 8 -2.545 -4.072 0.819
60 HD1 PHE 8 HD1 PHE 8 -4.549 -5.221 1.075
61 HD2 PHE 8 HD2 PHE 8 -2.297 -5.708 -2.503
62 HE1 PHE 8 HE1 PHE 8 -6.056 -7.036 0.378
63 HE2 PHE 8 HE2 PHE 8 -3.801 -7.524 -3.207
64 HZ PHE 8 HZ PHE 8 -5.683 -8.189 -1.766
65 H LEU 9 H LEU 9 -3.127 -1.553 1.096
66 HA LEU 9 HA LEU 9 -5.909 -1.782 1.277
67 HB2 LEU 9 HB2 LEU 9 -4.116 0.415 2.299
68 HB3 LEU 9 HB3 LEU 9 -5.782 0.144 2.805
69 HG LEU 9 HG LEU 9 -3.482 -1.756 3.260
70 HD11 LEU 9 HD11 LEU 9 -4.929 -0.353 5.447
71 HD12 LEU 9 HD12 LEU 9 -3.272 -0.953 5.388
72 HD13 LEU 9 HD13 LEU 9 -3.702 0.533 4.542
73 HD21 LEU 9 HD21 LEU 9 -5.027 -3.012 4.622
74 HD22 LEU 9 HD22 LEU 9 -6.310 -1.843 4.306
75 HD23 LEU 9 HD23 LEU 9 -5.686 -2.845 2.995
76 H LYS 10 H LYS 10 -3.899 0.757 -0.169
77 HA LYS 10 HA LYS 10 -6.060 2.424 -0.935
78 HB2 LYS 10 HB2 LYS 10 -3.156 2.259 -1.576
79 HB3 LYS 10 HB3 LYS 10 -4.180 3.195 -2.658
80 HG2 LYS 10 HG2 LYS 10 -3.525 4.817 -1.196
81 HG3 LYS 10 HG3 LYS 10 -5.017 4.278 -0.422
82 HD2 LYS 10 HD2 LYS 10 -3.416 2.614 0.814
83 HD3 LYS 10 HD3 LYS 10 -2.178 3.791 0.371
84 HE2 LYS 10 HE2 LYS 10 -3.522 5.558 1.453
85 HE3 LYS 10 HE3 LYS 10 -4.691 4.335 1.951
86 HZ1 LYS 10 HZ1 LYS 10 -2.329 3.344 2.840
87 HZ2 LYS 10 HZ2 LYS 10 -2.147 5.006 3.098
88 HZ3 LYS 10 HZ3 LYS 10 -3.456 4.182 3.783
89 H GLY 11 H GLY 11 -4.304 -0.173 -2.555
90 HA2 GLY 11 HA2 GLY 11 -4.991 -1.508 -4.312
91 HA3 GLY 11 HA3 GLY 11 -6.509 -0.623 -4.339
92 H LEU 12 H LEU 12 -6.577 -0.420 -6.566
93 HA LEU 12 HA LEU 12 -4.358 0.750 -7.998
94 HB2 LEU 12 HB2 LEU 12 -7.161 0.152 -8.933
95 HB3 LEU 12 HB3 LEU 12 -5.786 0.561 -9.958
96 HG LEU 12 HG LEU 12 -6.041 -1.940 -8.287
97 HD11 LEU 12 HD11 LEU 12 -6.568 -3.110 -10.233
98 HD12 LEU 12 HD12 LEU 12 -7.554 -1.651 -10.337
99 HD13 LEU 12 HD13 LEU 12 -6.070 -1.781 -11.280
100 HD21 LEU 12 HD21 LEU 12 -3.751 -1.502 -8.461
101 HD22 LEU 12 HD22 LEU 12 -4.081 -2.608 -9.796
102 HD23 LEU 12 HD23 LEU 12 -3.901 -0.881 -10.105
103 HN1 NH2 13 HN1 NH2 13 -5.001 2.576 -9.616
104 HN2 NH2 13 HN2 NH2 13 -5.769 3.951 -8.959
Start of MODEL 3
1 H1 ILE 1 H ILE 1 7.395 4.718 -0.860
2 HA ILE 1 HA ILE 1 5.253 5.372 1.055
3 HB ILE 1 HB ILE 1 5.266 3.036 -0.860
4 HG12 ILE 1 HG12 ILE 1 4.833 5.183 -1.989
5 HG13 ILE 1 HG13 ILE 1 3.397 4.166 -1.963
6 HG21 ILE 1 HG21 ILE 1 3.917 2.130 0.672
7 HG22 ILE 1 HG22 ILE 1 3.739 3.653 1.544
8 HG23 ILE 1 HG23 ILE 1 2.724 3.315 0.141
9 HD11 ILE 1 HD11 ILE 1 3.969 6.552 -0.228
10 HD12 ILE 1 HD12 ILE 1 2.747 6.407 -1.492
11 HD13 ILE 1 HD13 ILE 1 2.594 5.470 -0.006
12 H PHE 2 H PHE 2 7.603 2.918 0.027
13 HA PHE 2 HA PHE 2 8.718 1.295 1.170
14 HB2 PHE 2 HB2 PHE 2 8.472 3.484 3.216
15 HB3 PHE 2 HB3 PHE 2 9.273 1.966 3.611
16 HD1 PHE 2 HD1 PHE 2 9.596 5.172 2.066
17 HD2 PHE 2 HD2 PHE 2 11.243 1.250 2.192
18 HE1 PHE 2 HE1 PHE 2 11.677 6.018 1.063
19 HE2 PHE 2 HE2 PHE 2 13.328 2.088 1.189
20 HZ PHE 2 HZ PHE 2 13.547 4.476 0.624
21 H GLY 3 H GLY 3 6.224 0.501 0.856
22 HA2 GLY 3 HA2 GLY 3 5.778 -1.292 2.980
23 HA3 GLY 3 HA3 GLY 3 4.657 0.052 3.136
24 H THR 4 H THR 4 5.423 -2.841 1.454
25 HA THR 4 HA THR 4 3.836 -2.569 -0.837
26 HB THR 4 HB THR 4 3.659 -5.142 -0.649
27 HG1 THR 4 HG1 THR 4 5.736 -4.810 1.245
28 HG21 THR 4 HG21 THR 4 6.224 -5.304 -1.067
29 HG22 THR 4 HG22 THR 4 5.223 -4.373 -2.182
30 HG23 THR 4 HG23 THR 4 6.174 -3.544 -0.950
31 H ILE 5 H ILE 5 3.035 -3.977 2.334
32 HA ILE 5 HA ILE 5 0.413 -4.717 1.803
33 HB ILE 5 HB ILE 5 1.490 -3.662 4.420
34 HG12 ILE 5 HG12 ILE 5 2.826 -5.528 3.529
35 HG13 ILE 5 HG13 ILE 5 1.931 -6.009 4.966
36 HG21 ILE 5 HG21 ILE 5 -1.114 -4.562 3.624
37 HG22 ILE 5 HG22 ILE 5 -0.441 -5.654 4.835
38 HG23 ILE 5 HG23 ILE 5 -0.578 -3.930 5.181
39 HD11 ILE 5 HD11 ILE 5 1.910 -7.161 2.362
40 HD12 ILE 5 HD12 ILE 5 1.113 -7.717 3.833
41 HD13 ILE 5 HD13 ILE 5 0.290 -6.588 2.758
42 H LEU 6 H LEU 6 1.592 -1.651 3.180
43 HA LEU 6 HA LEU 6 -0.898 -0.395 3.399
44 HB2 LEU 6 HB2 LEU 6 1.524 0.266 4.208
45 HB3 LEU 6 HB3 LEU 6 1.519 1.204 2.716
46 HG LEU 6 HG LEU 6 -0.683 2.205 3.610
47 HD11 LEU 6 HD11 LEU 6 -0.106 0.392 5.692
48 HD12 LEU 6 HD12 LEU 6 0.126 2.017 6.337
49 HD13 LEU 6 HD13 LEU 6 -1.414 1.572 5.602
50 HD21 LEU 6 HD21 LEU 6 0.543 3.911 4.837
51 HD22 LEU 6 HD22 LEU 6 1.934 2.835 4.972
52 HD23 LEU 6 HD23 LEU 6 1.429 3.430 3.390
53 H GLY 7 H GLY 7 1.442 -0.445 0.736
54 HA2 GLY 7 HA2 GLY 7 0.084 1.377 -0.937
55 HA3 GLY 7 HA3 GLY 7 1.253 0.177 -1.466
56 H PHE 8 H PHE 8 -0.188 -2.119 -0.558
57 HA PHE 8 HA PHE 8 -1.811 -2.585 -2.815
58 HB2 PHE 8 HB2 PHE 8 -0.555 -4.285 -1.341
59 HB3 PHE 8 HB3 PHE 8 -1.960 -4.207 -0.284
60 HD1 PHE 8 HD1 PHE 8 -4.102 -5.097 -0.991
61 HD2 PHE 8 HD2 PHE 8 -0.676 -5.330 -3.506
62 HE1 PHE 8 HE1 PHE 8 -5.248 -6.764 -2.391
63 HE2 PHE 8 HE2 PHE 8 -1.816 -6.998 -4.910
64 HZ PHE 8 HZ PHE 8 -4.106 -7.716 -4.354
65 H LEU 9 H LEU 9 -2.572 -1.779 0.536
66 HA LEU 9 HA LEU 9 -5.346 -2.143 0.421
67 HB2 LEU 9 HB2 LEU 9 -3.633 -0.314 2.083
68 HB3 LEU 9 HB3 LEU 9 -5.376 -0.452 2.303
69 HG LEU 9 HG LEU 9 -3.625 -2.876 2.473
70 HD11 LEU 9 HD11 LEU 9 -4.332 -1.358 4.934
71 HD12 LEU 9 HD12 LEU 9 -3.014 -2.493 4.646
72 HD13 LEU 9 HD13 LEU 9 -2.926 -0.856 3.997
73 HD21 LEU 9 HD21 LEU 9 -6.362 -2.433 2.618
74 HD22 LEU 9 HD22 LEU 9 -5.499 -3.889 3.112
75 HD23 LEU 9 HD23 LEU 9 -5.857 -2.632 4.296
76 H LYS 10 H LYS 10 -3.448 0.845 0.014
77 HA LYS 10 HA LYS 10 -5.666 2.454 -0.697
78 HB2 LYS 10 HB2 LYS 10 -3.999 4.098 -1.411
79 HB3 LYS 10 HB3 LYS 10 -3.576 3.408 0.150
80 HG2 LYS 10 HG2 LYS 10 -1.984 1.902 -0.983
81 HG3 LYS 10 HG3 LYS 10 -2.366 2.696 -2.513
82 HD2 LYS 10 HD2 LYS 10 -1.436 4.276 -0.141
83 HD3 LYS 10 HD3 LYS 10 -0.281 3.468 -1.204
84 HE2 LYS 10 HE2 LYS 10 -1.059 4.714 -3.096
85 HE3 LYS 10 HE3 LYS 10 -2.393 5.392 -2.165
86 HZ1 LYS 10 HZ1 LYS 10 0.425 5.855 -1.400
87 HZ2 LYS 10 HZ2 LYS 10 -0.361 6.846 -2.523
88 HZ3 LYS 10 HZ3 LYS 10 -0.949 6.731 -0.941
89 H GLY 11 H GLY 11 -3.363 0.552 -2.569
90 HA2 GLY 11 HA2 GLY 11 -3.936 1.501 -5.126
91 HA3 GLY 11 HA3 GLY 11 -3.390 -0.130 -4.761
92 H LEU 12 H LEU 12 -5.865 1.682 -6.051
93 HA LEU 12 HA LEU 12 -7.766 -0.549 -5.744
94 HB2 LEU 12 HB2 LEU 12 -8.195 2.409 -5.808
95 HB3 LEU 12 HB3 LEU 12 -9.474 1.319 -6.339
96 HG LEU 12 HG LEU 12 -8.216 1.052 -3.626
97 HD11 LEU 12 HD11 LEU 12 -10.755 2.369 -3.531
98 HD12 LEU 12 HD12 LEU 12 -9.207 2.880 -2.859
99 HD13 LEU 12 HD13 LEU 12 -9.633 3.308 -4.516
100 HD21 LEU 12 HD21 LEU 12 -9.503 -0.834 -4.212
101 HD22 LEU 12 HD22 LEU 12 -10.536 0.139 -3.165
102 HD23 LEU 12 HD23 LEU 12 -10.783 0.158 -4.912
103 HN1 NH2 13 HN1 NH2 13 -9.480 -0.416 -7.604
104 HN2 NH2 13 HN2 NH2 13 -8.870 -0.286 -9.194
Start of MODEL 4
1 H1 ILE 1 H ILE 1 5.776 6.613 4.412
2 HA ILE 1 HA ILE 1 6.821 7.615 2.076
3 HB ILE 1 HB ILE 1 8.274 5.842 4.044
4 HG12 ILE 1 HG12 ILE 1 7.202 7.740 5.149
5 HG13 ILE 1 HG13 ILE 1 8.948 7.958 5.112
6 HG21 ILE 1 HG21 ILE 1 9.146 7.485 1.738
7 HG22 ILE 1 HG22 ILE 1 10.156 7.513 3.183
8 HG23 ILE 1 HG23 ILE 1 9.812 5.982 2.378
9 HD11 ILE 1 HD11 ILE 1 7.913 10.044 4.617
10 HD12 ILE 1 HD12 ILE 1 8.652 9.434 3.136
11 HD13 ILE 1 HD13 ILE 1 6.908 9.309 3.368
12 H PHE 2 H PHE 2 6.716 4.210 3.090
13 HA PHE 2 HA PHE 2 6.534 3.333 0.363
14 HB2 PHE 2 HB2 PHE 2 8.983 3.714 0.622
15 HB3 PHE 2 HB3 PHE 2 8.994 2.545 1.938
16 HD1 PHE 2 HD1 PHE 2 8.218 2.914 -1.671
17 HD2 PHE 2 HD2 PHE 2 9.257 0.275 1.503
18 HE1 PHE 2 HE1 PHE 2 8.553 1.096 -3.296
19 HE2 PHE 2 HE2 PHE 2 9.594 -1.546 -0.116
20 HZ PHE 2 HZ PHE 2 9.241 -1.137 -2.519
21 H GLY 3 H GLY 3 5.687 1.291 0.190
22 HA2 GLY 3 HA2 GLY 3 5.784 -0.858 1.823
23 HA3 GLY 3 HA3 GLY 3 4.606 0.169 2.628
24 H THR 4 H THR 4 5.198 -1.994 0.029
25 HA THR 4 HA THR 4 3.037 -1.431 -1.656
26 HB THR 4 HB THR 4 3.287 -3.652 -2.548
27 HG1 THR 4 HG1 THR 4 3.598 -5.163 -1.096
28 HG21 THR 4 HG21 THR 4 6.033 -2.763 -1.670
29 HG22 THR 4 HG22 THR 4 5.601 -3.645 -3.136
30 HG23 THR 4 HG23 THR 4 5.110 -1.962 -2.943
31 H ILE 5 H ILE 5 3.250 -3.456 1.234
32 HA ILE 5 HA ILE 5 0.673 -4.581 1.070
33 HB ILE 5 HB ILE 5 2.306 -4.028 3.551
34 HG12 ILE 5 HG12 ILE 5 2.122 -6.599 1.979
35 HG13 ILE 5 HG13 ILE 5 3.399 -5.414 1.727
36 HG21 ILE 5 HG21 ILE 5 0.342 -4.602 4.508
37 HG22 ILE 5 HG22 ILE 5 -0.250 -5.418 3.060
38 HG23 ILE 5 HG23 ILE 5 0.892 -6.234 4.128
39 HD11 ILE 5 HD11 ILE 5 4.419 -5.893 3.708
40 HD12 ILE 5 HD12 ILE 5 2.923 -6.416 4.481
41 HD13 ILE 5 HD13 ILE 5 3.731 -7.469 3.320
42 H LEU 6 H LEU 6 1.877 -1.675 2.710
43 HA LEU 6 HA LEU 6 -0.618 -0.977 3.874
44 HB2 LEU 6 HB2 LEU 6 1.576 -0.185 4.692
45 HB3 LEU 6 HB3 LEU 6 1.736 0.796 3.237
46 HG LEU 6 HG LEU 6 -0.125 2.179 3.917
47 HD11 LEU 6 HD11 LEU 6 -1.719 1.226 5.145
48 HD12 LEU 6 HD12 LEU 6 -0.633 -0.040 5.718
49 HD13 LEU 6 HD13 LEU 6 -0.677 1.521 6.538
50 HD21 LEU 6 HD21 LEU 6 0.844 2.901 6.231
51 HD22 LEU 6 HD22 LEU 6 2.105 1.728 5.850
52 HD23 LEU 6 HD23 LEU 6 1.812 3.089 4.769
53 H GLY 7 H GLY 7 0.985 -0.164 0.845
54 HA2 GLY 7 HA2 GLY 7 -0.873 1.860 0.076
55 HA3 GLY 7 HA3 GLY 7 0.279 1.053 -0.978
56 H PHE 8 H PHE 8 -0.698 -1.615 -0.426
57 HA PHE 8 HA PHE 8 -2.514 -1.940 -2.481
58 HB2 PHE 8 HB2 PHE 8 -1.238 -3.807 -1.600
59 HB3 PHE 8 HB3 PHE 8 -2.077 -3.693 -0.057
60 HD1 PHE 8 HD1 PHE 8 -3.671 -5.287 0.319
61 HD2 PHE 8 HD2 PHE 8 -2.986 -3.968 -3.670
62 HE1 PHE 8 HE1 PHE 8 -5.375 -6.866 -0.492
63 HE2 PHE 8 HE2 PHE 8 -4.689 -5.544 -4.487
64 HZ PHE 8 HZ PHE 8 -5.885 -6.997 -2.898
65 H LEU 9 H LEU 9 -3.108 -1.348 0.931
66 HA LEU 9 HA LEU 9 -5.796 -1.939 1.129
67 HB2 LEU 9 HB2 LEU 9 -3.977 -0.021 2.473
68 HB3 LEU 9 HB3 LEU 9 -5.708 0.205 2.708
69 HG LEU 9 HG LEU 9 -4.758 -1.067 4.539
70 HD11 LEU 9 HD11 LEU 9 -6.994 -1.736 3.096
71 HD12 LEU 9 HD12 LEU 9 -6.151 -3.278 3.253
72 HD13 LEU 9 HD13 LEU 9 -6.573 -2.353 4.694
73 HD21 LEU 9 HD21 LEU 9 -4.055 -3.242 2.589
74 HD22 LEU 9 HD22 LEU 9 -2.890 -2.020 3.096
75 HD23 LEU 9 HD23 LEU 9 -3.609 -3.101 4.289
76 H LYS 10 H LYS 10 -4.374 1.217 0.272
77 HA LYS 10 HA LYS 10 -6.918 2.327 -0.448
78 HB2 LYS 10 HB2 LYS 10 -5.575 4.257 -1.241
79 HB3 LYS 10 HB3 LYS 10 -5.202 3.793 0.414
80 HG2 LYS 10 HG2 LYS 10 -3.194 2.652 -0.336
81 HG3 LYS 10 HG3 LYS 10 -3.577 3.052 -2.012
82 HD2 LYS 10 HD2 LYS 10 -3.644 5.509 -1.015
83 HD3 LYS 10 HD3 LYS 10 -2.562 4.786 0.178
84 HE2 LYS 10 HE2 LYS 10 -2.179 4.845 -2.812
85 HE3 LYS 10 HE3 LYS 10 -1.267 5.761 -1.614
86 HZ1 LYS 10 HZ1 LYS 10 -0.060 3.802 -2.377
87 HZ2 LYS 10 HZ2 LYS 10 -0.407 3.699 -0.725
88 HZ3 LYS 10 HZ3 LYS 10 -1.311 2.800 -1.836
89 H GLY 11 H GLY 11 -4.204 0.893 -2.169
90 HA2 GLY 11 HA2 GLY 11 -5.059 1.613 -4.780
91 HA3 GLY 11 HA3 GLY 11 -3.914 0.342 -4.382
92 H LEU 12 H LEU 12 -5.074 -0.637 -6.279
93 HA LEU 12 HA LEU 12 -7.505 -2.033 -5.368
94 HB2 LEU 12 HB2 LEU 12 -6.695 -0.966 -8.034
95 HB3 LEU 12 HB3 LEU 12 -7.745 -2.380 -7.957
96 HG LEU 12 HG LEU 12 -8.480 0.107 -6.466
97 HD11 LEU 12 HD11 LEU 12 -9.144 1.258 -8.276
98 HD12 LEU 12 HD12 LEU 12 -7.921 0.295 -9.106
99 HD13 LEU 12 HD13 LEU 12 -9.615 -0.195 -9.158
100 HD21 LEU 12 HD21 LEU 12 -10.325 -1.746 -7.908
101 HD22 LEU 12 HD22 LEU 12 -9.626 -2.234 -6.364
102 HD23 LEU 12 HD23 LEU 12 -10.610 -0.773 -6.464
103 HN1 NH2 13 HN1 NH2 13 -4.465 -2.336 -7.142
104 HN2 NH2 13 HN2 NH2 13 -4.304 -4.034 -7.056
Start of MODEL 5
1 H1 ILE 1 H ILE 1 7.398 5.653 3.004
2 HA ILE 1 HA ILE 1 7.218 7.430 0.661
3 HB ILE 1 HB ILE 1 9.562 6.613 0.166
4 HG12 ILE 1 HG12 ILE 1 9.373 5.680 3.039
5 HG13 ILE 1 HG13 ILE 1 9.525 4.638 1.628
6 HG21 ILE 1 HG21 ILE 1 10.493 8.369 1.322
7 HG22 ILE 1 HG22 ILE 1 8.781 8.791 1.384
8 HG23 ILE 1 HG23 ILE 1 9.556 8.046 2.782
9 HD11 ILE 1 HD11 ILE 1 11.558 6.522 2.771
10 HD12 ILE 1 HD12 ILE 1 11.667 4.772 2.580
11 HD13 ILE 1 HD13 ILE 1 11.707 5.820 1.160
12 H PHE 2 H PHE 2 7.467 4.090 1.737
13 HA PHE 2 HA PHE 2 6.236 3.191 -0.717
14 HB2 PHE 2 HB2 PHE 2 8.539 3.136 -1.423
15 HB3 PHE 2 HB3 PHE 2 9.021 2.311 0.055
16 HD1 PHE 2 HD1 PHE 2 7.100 1.932 -3.079
17 HD2 PHE 2 HD2 PHE 2 8.927 -0.031 0.227
18 HE1 PHE 2 HE1 PHE 2 6.776 -0.237 -4.193
19 HE2 PHE 2 HE2 PHE 2 8.607 -2.203 -0.883
20 HZ PHE 2 HZ PHE 2 7.531 -2.309 -3.095
21 H GLY 3 H GLY 3 4.716 1.802 -0.123
22 HA2 GLY 3 HA2 GLY 3 5.315 -0.235 1.880
23 HA3 GLY 3 HA3 GLY 3 4.007 0.877 2.260
24 H THR 4 H THR 4 4.762 -2.056 0.892
25 HA THR 4 HA THR 4 2.915 -2.227 -1.235
26 HB THR 4 HB THR 4 3.034 -4.745 -0.735
27 HG1 THR 4 HG1 THR 4 5.221 -3.990 0.904
28 HG21 THR 4 HG21 THR 4 4.626 -4.677 -2.291
29 HG22 THR 4 HG22 THR 4 4.842 -2.957 -1.964
30 HG23 THR 4 HG23 THR 4 5.810 -4.149 -1.096
31 H ILE 5 H ILE 5 2.662 -3.167 2.186
32 HA ILE 5 HA ILE 5 0.046 -4.174 2.073
33 HB ILE 5 HB ILE 5 1.352 -2.837 4.443
34 HG12 ILE 5 HG12 ILE 5 2.813 -4.576 3.555
35 HG13 ILE 5 HG13 ILE 5 2.088 -5.115 5.066
36 HG21 ILE 5 HG21 ILE 5 -0.176 -4.850 5.423
37 HG22 ILE 5 HG22 ILE 5 -0.703 -3.173 5.287
38 HG23 ILE 5 HG23 ILE 5 -1.137 -4.338 4.037
39 HD11 ILE 5 HD11 ILE 5 0.524 -6.497 3.872
40 HD12 ILE 5 HD12 ILE 5 1.113 -5.883 2.328
41 HD13 ILE 5 HD13 ILE 5 2.165 -6.867 3.345
42 H LEU 6 H LEU 6 1.264 -0.914 2.709
43 HA LEU 6 HA LEU 6 -1.221 0.251 3.360
44 HB2 LEU 6 HB2 LEU 6 1.454 1.248 2.545
45 HB3 LEU 6 HB3 LEU 6 0.093 2.362 2.427
46 HG LEU 6 HG LEU 6 1.389 2.582 4.528
47 HD11 LEU 6 HD11 LEU 6 -1.433 2.362 4.201
48 HD12 LEU 6 HD12 LEU 6 -0.996 1.788 5.809
49 HD13 LEU 6 HD13 LEU 6 -0.520 3.404 5.291
50 HD21 LEU 6 HD21 LEU 6 1.624 -0.061 4.560
51 HD22 LEU 6 HD22 LEU 6 1.673 0.903 6.036
52 HD23 LEU 6 HD23 LEU 6 0.185 0.079 5.569
53 H GLY 7 H GLY 7 0.659 0.483 0.328
54 HA2 GLY 7 HA2 GLY 7 -1.303 1.774 -1.180
55 HA3 GLY 7 HA3 GLY 7 -0.016 0.779 -1.844
56 H PHE 8 H PHE 8 -0.793 -1.671 -0.606
57 HA PHE 8 HA PHE 8 -2.695 -2.567 -2.509
58 HB2 PHE 8 HB2 PHE 8 -0.846 -3.950 -1.489
59 HB3 PHE 8 HB3 PHE 8 -1.811 -4.031 -0.018
60 HD1 PHE 8 HD1 PHE 8 -3.264 -5.792 0.268
61 HD2 PHE 8 HD2 PHE 8 -2.067 -4.713 -3.672
62 HE1 PHE 8 HE1 PHE 8 -4.467 -7.742 -0.628
63 HE2 PHE 8 HE2 PHE 8 -3.270 -6.661 -4.574
64 HZ PHE 8 HZ PHE 8 -4.473 -8.178 -3.053
65 H LEU 9 H LEU 9 -2.861 -2.257 1.036
66 HA LEU 9 HA LEU 9 -5.485 -3.054 1.401
67 HB2 LEU 9 HB2 LEU 9 -4.066 -2.733 3.283
68 HB3 LEU 9 HB3 LEU 9 -3.823 -1.033 2.885
69 HG LEU 9 HG LEU 9 -6.097 -0.518 3.518
70 HD11 LEU 9 HD11 LEU 9 -7.588 -2.151 3.168
71 HD12 LEU 9 HD12 LEU 9 -6.389 -3.427 3.382
72 HD13 LEU 9 HD13 LEU 9 -7.149 -2.685 4.791
73 HD21 LEU 9 HD21 LEU 9 -4.936 -2.263 5.677
74 HD22 LEU 9 HD22 LEU 9 -4.258 -0.693 5.242
75 HD23 LEU 9 HD23 LEU 9 -5.908 -0.802 5.857
76 H LYS 10 H LYS 10 -4.253 0.232 0.822
77 HA LYS 10 HA LYS 10 -6.800 1.469 0.802
78 HB2 LYS 10 HB2 LYS 10 -4.052 2.262 -0.070
79 HB3 LYS 10 HB3 LYS 10 -5.421 3.246 -0.570
80 HG2 LYS 10 HG2 LYS 10 -4.958 2.525 2.304
81 HG3 LYS 10 HG3 LYS 10 -4.189 3.924 1.551
82 HD2 LYS 10 HD2 LYS 10 -7.149 3.527 1.346
83 HD3 LYS 10 HD3 LYS 10 -6.441 4.233 2.800
84 HE2 LYS 10 HE2 LYS 10 -5.765 5.291 0.077
85 HE3 LYS 10 HE3 LYS 10 -7.233 5.804 0.911
86 HZ1 LYS 10 HZ1 LYS 10 -6.004 6.773 2.623
87 HZ2 LYS 10 HZ2 LYS 10 -4.580 5.959 2.209
88 HZ3 LYS 10 HZ3 LYS 10 -5.157 7.208 1.225
89 H GLY 11 H GLY 11 -4.777 0.054 -1.713
90 HA2 GLY 11 HA2 GLY 11 -5.914 -1.002 -3.592
91 HA3 GLY 11 HA3 GLY 11 -7.058 0.332 -3.566
92 H LEU 12 H LEU 12 -6.177 -0.042 -5.949
93 HA LEU 12 HA LEU 12 -4.102 2.006 -6.346
94 HB2 LEU 12 HB2 LEU 12 -3.281 0.750 -8.283
95 HB3 LEU 12 HB3 LEU 12 -3.092 -0.140 -6.773
96 HG LEU 12 HG LEU 12 -5.476 -0.679 -8.487
97 HD11 LEU 12 HD11 LEU 12 -3.173 -2.401 -9.012
98 HD12 LEU 12 HD12 LEU 12 -4.375 -1.736 -10.120
99 HD13 LEU 12 HD13 LEU 12 -2.995 -0.756 -9.623
100 HD21 LEU 12 HD21 LEU 12 -3.946 -1.995 -6.323
101 HD22 LEU 12 HD22 LEU 12 -5.682 -1.966 -6.635
102 HD23 LEU 12 HD23 LEU 12 -4.637 -3.041 -7.563
103 HN1 NH2 13 HN1 NH2 13 -4.130 2.778 -8.713
104 HN2 NH2 13 HN2 NH2 13 -5.649 3.112 -9.419
Start of MODEL 6
1 H1 ILE 1 H ILE 1 9.279 2.522 -3.324
2 HA ILE 1 HA ILE 1 8.690 4.294 -1.168
3 HB ILE 1 HB ILE 1 6.784 2.405 -2.547
4 HG12 ILE 1 HG12 ILE 1 7.515 5.247 -3.285
5 HG13 ILE 1 HG13 ILE 1 7.998 3.808 -4.177
6 HG21 ILE 1 HG21 ILE 1 5.073 3.974 -1.859
7 HG22 ILE 1 HG22 ILE 1 5.979 3.418 -0.453
8 HG23 ILE 1 HG23 ILE 1 6.291 5.018 -1.126
9 HD11 ILE 1 HD11 ILE 1 5.300 5.061 -3.936
10 HD12 ILE 1 HD12 ILE 1 6.196 4.599 -5.383
11 HD13 ILE 1 HD13 ILE 1 5.468 3.358 -4.363
12 H PHE 2 H PHE 2 8.124 3.876 0.900
13 HA PHE 2 HA PHE 2 8.444 1.120 1.823
14 HB2 PHE 2 HB2 PHE 2 8.510 3.787 3.228
15 HB3 PHE 2 HB3 PHE 2 8.441 2.267 4.115
16 HD1 PHE 2 HD1 PHE 2 10.470 4.309 1.818
17 HD2 PHE 2 HD2 PHE 2 10.354 0.888 4.348
18 HE1 PHE 2 HE1 PHE 2 12.916 4.108 1.654
19 HE2 PHE 2 HE2 PHE 2 12.801 0.682 4.189
20 HZ PHE 2 HZ PHE 2 14.085 2.294 2.841
21 H GLY 3 H GLY 3 6.804 -0.077 2.573
22 HA2 GLY 3 HA2 GLY 3 4.763 -0.332 3.812
23 HA3 GLY 3 HA3 GLY 3 4.288 1.275 3.286
24 H THR 4 H THR 4 5.452 -1.575 1.501
25 HA THR 4 HA THR 4 3.857 -1.221 -0.736
26 HB THR 4 HB THR 4 5.709 -2.781 -0.768
27 HG1 THR 4 HG1 THR 4 3.443 -4.430 -1.119
28 HG21 THR 4 HG21 THR 4 4.093 -4.681 0.918
29 HG22 THR 4 HG22 THR 4 5.790 -4.799 0.452
30 HG23 THR 4 HG23 THR 4 5.278 -3.577 1.617
31 H ILE 5 H ILE 5 3.141 -2.889 2.283
32 HA ILE 5 HA ILE 5 0.727 -4.100 1.464
33 HB ILE 5 HB ILE 5 1.520 -3.234 4.246
34 HG12 ILE 5 HG12 ILE 5 1.830 -5.957 2.976
35 HG13 ILE 5 HG13 ILE 5 3.128 -4.770 3.040
36 HG21 ILE 5 HG21 ILE 5 -0.029 -5.478 4.480
37 HG22 ILE 5 HG22 ILE 5 -0.586 -3.822 4.717
38 HG23 ILE 5 HG23 ILE 5 -0.811 -4.614 3.158
39 HD11 ILE 5 HD11 ILE 5 3.406 -4.999 5.302
40 HD12 ILE 5 HD12 ILE 5 1.756 -5.567 5.558
41 HD13 ILE 5 HD13 ILE 5 2.955 -6.640 4.838
42 H LEU 6 H LEU 6 1.358 -1.061 3.205
43 HA LEU 6 HA LEU 6 -1.320 -0.265 3.463
44 HB2 LEU 6 HB2 LEU 6 1.321 1.066 3.618
45 HB3 LEU 6 HB3 LEU 6 -0.087 2.102 3.402
46 HG LEU 6 HG LEU 6 0.242 0.127 5.658
47 HD11 LEU 6 HD11 LEU 6 1.926 1.860 5.839
48 HD12 LEU 6 HD12 LEU 6 0.699 3.107 5.607
49 HD13 LEU 6 HD13 LEU 6 0.671 2.101 7.055
50 HD21 LEU 6 HD21 LEU 6 -1.912 0.508 6.027
51 HD22 LEU 6 HD22 LEU 6 -1.546 2.218 6.264
52 HD23 LEU 6 HD23 LEU 6 -1.983 1.624 4.662
53 H GLY 7 H GLY 7 1.095 0.480 0.966
54 HA2 GLY 7 HA2 GLY 7 -0.599 2.171 -0.558
55 HA3 GLY 7 HA3 GLY 7 0.876 1.404 -1.127
56 H PHE 8 H PHE 8 0.089 -1.292 -0.701
57 HA PHE 8 HA PHE 8 -1.192 -1.841 -3.129
58 HB2 PHE 8 HB2 PHE 8 0.284 -3.446 -1.991
59 HB3 PHE 8 HB3 PHE 8 -0.906 -3.630 -0.706
60 HD1 PHE 8 HD1 PHE 8 -2.654 -5.169 -0.900
61 HD2 PHE 8 HD2 PHE 8 -0.350 -4.149 -4.330
62 HE1 PHE 8 HE1 PHE 8 -3.735 -6.983 -2.161
63 HE2 PHE 8 HE2 PHE 8 -1.428 -5.961 -5.597
64 HZ PHE 8 HZ PHE 8 -3.124 -7.381 -4.513
65 H LEU 9 H LEU 9 -2.442 -1.992 0.198
66 HA LEU 9 HA LEU 9 -5.071 -2.738 -0.546
67 HB2 LEU 9 HB2 LEU 9 -3.842 -2.841 1.751
68 HB3 LEU 9 HB3 LEU 9 -4.475 -1.210 1.953
69 HG LEU 9 HG LEU 9 -6.768 -2.132 1.625
70 HD11 LEU 9 HD11 LEU 9 -5.234 -4.712 1.572
71 HD12 LEU 9 HD12 LEU 9 -6.933 -4.639 2.038
72 HD13 LEU 9 HD13 LEU 9 -6.438 -4.120 0.427
73 HD21 LEU 9 HD21 LEU 9 -5.964 -3.730 3.884
74 HD22 LEU 9 HD22 LEU 9 -5.121 -2.180 3.878
75 HD23 LEU 9 HD23 LEU 9 -6.884 -2.226 3.842
76 H LYS 10 H LYS 10 -3.570 0.383 0.204
77 HA LYS 10 HA LYS 10 -5.869 1.970 0.081
78 HB2 LYS 10 HB2 LYS 10 -3.773 2.826 0.961
79 HB3 LYS 10 HB3 LYS 10 -3.005 2.653 -0.612
80 HG2 LYS 10 HG2 LYS 10 -3.517 4.951 -0.300
81 HG3 LYS 10 HG3 LYS 10 -4.638 4.316 -1.507
82 HD2 LYS 10 HD2 LYS 10 -5.933 5.657 -0.050
83 HD3 LYS 10 HD3 LYS 10 -6.282 3.983 0.389
84 HE2 LYS 10 HE2 LYS 10 -5.974 5.304 2.389
85 HE3 LYS 10 HE3 LYS 10 -4.647 4.155 2.226
86 HZ1 LYS 10 HZ1 LYS 10 -3.175 5.831 1.613
87 HZ2 LYS 10 HZ2 LYS 10 -4.406 6.929 1.239
88 HZ3 LYS 10 HZ3 LYS 10 -4.080 6.541 2.853
89 H GLY 11 H GLY 11 -3.716 0.818 -2.465
90 HA2 GLY 11 HA2 GLY 11 -5.103 2.337 -4.508
91 HA3 GLY 11 HA3 GLY 11 -3.770 1.220 -4.760
92 H LEU 12 H LEU 12 -6.245 1.446 -6.263
93 HA LEU 12 HA LEU 12 -7.373 -1.224 -5.732
94 HB2 LEU 12 HB2 LEU 12 -8.783 0.999 -7.183
95 HB3 LEU 12 HB3 LEU 12 -9.468 -0.507 -6.574
96 HG LEU 12 HG LEU 12 -8.717 0.504 -4.249
97 HD11 LEU 12 HD11 LEU 12 -8.058 2.600 -5.956
98 HD12 LEU 12 HD12 LEU 12 -9.570 3.094 -5.192
99 HD13 LEU 12 HD13 LEU 12 -8.181 2.658 -4.197
100 HD21 LEU 12 HD21 LEU 12 -11.150 0.696 -5.870
101 HD22 LEU 12 HD22 LEU 12 -10.929 0.140 -4.211
102 HD23 LEU 12 HD23 LEU 12 -11.055 1.866 -4.554
103 HN1 NH2 13 HN1 NH2 13 -5.515 -1.946 -7.056
104 HN2 NH2 13 HN2 NH2 13 -5.633 -1.965 -8.759
Start of MODEL 7
1 H1 ILE 1 H ILE 1 9.880 0.232 0.258
2 HA ILE 1 HA ILE 1 9.485 -2.008 2.133
3 HB ILE 1 HB ILE 1 10.551 0.730 2.824
4 HG12 ILE 1 HG12 ILE 1 12.061 -1.865 2.445
5 HG13 ILE 1 HG13 ILE 1 12.115 -0.484 1.355
6 HG21 ILE 1 HG21 ILE 1 11.140 -0.281 4.949
7 HG22 ILE 1 HG22 ILE 1 9.414 -0.470 4.643
8 HG23 ILE 1 HG23 ILE 1 10.506 -1.835 4.408
9 HD11 ILE 1 HD11 ILE 1 13.113 0.870 3.112
10 HD12 ILE 1 HD12 ILE 1 13.041 -0.503 4.217
11 HD13 ILE 1 HD13 ILE 1 14.074 -0.573 2.788
12 H PHE 2 H PHE 2 8.710 1.450 1.720
13 HA PHE 2 HA PHE 2 6.129 0.930 3.043
14 HB2 PHE 2 HB2 PHE 2 6.124 3.391 3.532
15 HB3 PHE 2 HB3 PHE 2 7.408 2.495 4.337
16 HD1 PHE 2 HD1 PHE 2 6.604 5.054 1.896
17 HD2 PHE 2 HD2 PHE 2 9.731 2.703 3.573
18 HE1 PHE 2 HE1 PHE 2 8.268 6.592 0.939
19 HE2 PHE 2 HE2 PHE 2 11.401 4.240 2.619
20 HZ PHE 2 HZ PHE 2 10.670 6.187 1.301
21 H GLY 3 H GLY 3 4.304 2.275 2.286
22 HA2 GLY 3 HA2 GLY 3 3.209 3.539 0.605
23 HA3 GLY 3 HA3 GLY 3 4.552 3.211 -0.480
24 H THR 4 H THR 4 4.758 0.491 -0.375
25 HA THR 4 HA THR 4 2.863 -0.374 -2.201
26 HB THR 4 HB THR 4 3.576 -2.743 -1.322
27 HG1 THR 4 HG1 THR 4 5.231 -2.756 0.069
28 HG21 THR 4 HG21 THR 4 4.687 -0.873 -3.130
29 HG22 THR 4 HG22 THR 4 6.033 -1.642 -2.287
30 HG23 THR 4 HG23 THR 4 4.849 -2.630 -3.146
31 H ILE 5 H ILE 5 3.031 -1.181 1.270
32 HA ILE 5 HA ILE 5 0.704 -2.681 1.438
33 HB ILE 5 HB ILE 5 1.784 -0.838 3.573
34 HG12 ILE 5 HG12 ILE 5 3.526 -2.343 2.757
35 HG13 ILE 5 HG13 ILE 5 3.013 -2.824 4.371
36 HG21 ILE 5 HG21 ILE 5 0.660 -3.241 4.590
37 HG22 ILE 5 HG22 ILE 5 0.133 -1.579 4.854
38 HG23 ILE 5 HG23 ILE 5 -0.507 -2.502 3.495
39 HD11 ILE 5 HD11 ILE 5 2.675 -4.866 3.607
40 HD12 ILE 5 HD12 ILE 5 1.402 -4.243 2.558
41 HD13 ILE 5 HD13 ILE 5 3.060 -4.349 1.966
42 H LEU 6 H LEU 6 1.061 0.777 2.251
43 HA LEU 6 HA LEU 6 -1.592 1.358 2.736
44 HB2 LEU 6 HB2 LEU 6 0.754 2.925 1.824
45 HB3 LEU 6 HB3 LEU 6 -0.834 3.675 1.663
46 HG LEU 6 HG LEU 6 0.143 2.563 4.280
47 HD11 LEU 6 HD11 LEU 6 1.598 4.217 4.502
48 HD12 LEU 6 HD12 LEU 6 1.227 4.782 2.874
49 HD13 LEU 6 HD13 LEU 6 0.306 5.389 4.249
50 HD21 LEU 6 HD21 LEU 6 -2.185 2.938 4.297
51 HD22 LEU 6 HD22 LEU 6 -1.471 4.339 5.098
52 HD23 LEU 6 HD23 LEU 6 -2.025 4.465 3.429
53 H GLY 7 H GLY 7 0.141 1.590 -0.368
54 HA2 GLY 7 HA2 GLY 7 -2.038 2.456 -1.908
55 HA3 GLY 7 HA3 GLY 7 -0.626 1.613 -2.530
56 H PHE 8 H PHE 8 -1.053 -0.769 -0.924
57 HA PHE 8 HA PHE 8 -2.769 -2.166 -2.707
58 HB2 PHE 8 HB2 PHE 8 -1.116 -2.864 -0.336
59 HB3 PHE 8 HB3 PHE 8 -2.412 -3.974 -0.765
60 HD1 PHE 8 HD1 PHE 8 -1.394 -5.830 -1.688
61 HD2 PHE 8 HD2 PHE 8 -0.158 -1.951 -2.926
62 HE1 PHE 8 HE1 PHE 8 0.044 -6.841 -3.408
63 HE2 PHE 8 HE2 PHE 8 1.281 -2.956 -4.650
64 HZ PHE 8 HZ PHE 8 1.384 -5.404 -4.892
65 H LEU 9 H LEU 9 -3.062 -1.159 0.676
66 HA LEU 9 HA LEU 9 -5.586 -2.354 1.127
67 HB2 LEU 9 HB2 LEU 9 -3.886 -0.354 2.500
68 HB3 LEU 9 HB3 LEU 9 -5.598 -0.376 2.920
69 HG LEU 9 HG LEU 9 -4.314 -1.689 4.502
70 HD11 LEU 9 HD11 LEU 9 -6.029 -3.080 4.681
71 HD12 LEU 9 HD12 LEU 9 -6.557 -2.565 3.079
72 HD13 LEU 9 HD13 LEU 9 -5.514 -3.978 3.252
73 HD21 LEU 9 HD21 LEU 9 -2.465 -2.255 2.936
74 HD22 LEU 9 HD22 LEU 9 -3.058 -3.631 3.867
75 HD23 LEU 9 HD23 LEU 9 -3.528 -3.440 2.178
76 H LYS 10 H LYS 10 -4.668 1.012 0.411
77 HA LYS 10 HA LYS 10 -7.314 1.987 0.253
78 HB2 LYS 10 HB2 LYS 10 -6.345 3.972 -0.739
79 HB3 LYS 10 HB3 LYS 10 -5.325 3.424 0.585
80 HG2 LYS 10 HG2 LYS 10 -3.683 3.765 -0.909
81 HG3 LYS 10 HG3 LYS 10 -4.138 2.151 -1.460
82 HD2 LYS 10 HD2 LYS 10 -5.136 2.931 -3.354
83 HD3 LYS 10 HD3 LYS 10 -5.625 4.451 -2.601
84 HE2 LYS 10 HE2 LYS 10 -2.746 3.828 -3.183
85 HE3 LYS 10 HE3 LYS 10 -3.804 4.534 -4.404
86 HZ1 LYS 10 HZ1 LYS 10 -4.112 5.985 -2.032
87 HZ2 LYS 10 HZ2 LYS 10 -2.452 5.831 -2.326
88 HZ3 LYS 10 HZ3 LYS 10 -3.461 6.510 -3.502
89 H GLY 11 H GLY 11 -5.132 0.580 -2.121
90 HA2 GLY 11 HA2 GLY 11 -6.800 1.205 -4.373
91 HA3 GLY 11 HA3 GLY 11 -5.415 0.124 -4.369
92 H LEU 12 H LEU 12 -8.493 0.132 -5.145
93 HA LEU 12 HA LEU 12 -10.152 -1.413 -5.341
94 HB2 LEU 12 HB2 LEU 12 -7.731 -3.163 -5.035
95 HB3 LEU 12 HB3 LEU 12 -9.338 -3.832 -5.304
96 HG LEU 12 HG LEU 12 -8.020 -1.888 -7.191
97 HD11 LEU 12 HD11 LEU 12 -6.592 -3.761 -7.218
98 HD12 LEU 12 HD12 LEU 12 -7.943 -4.891 -7.121
99 HD13 LEU 12 HD13 LEU 12 -7.673 -3.965 -8.597
100 HD21 LEU 12 HD21 LEU 12 -10.326 -3.798 -7.562
101 HD22 LEU 12 HD22 LEU 12 -10.478 -2.063 -7.284
102 HD23 LEU 12 HD23 LEU 12 -9.700 -2.656 -8.751
103 HN1 NH2 13 HN1 NH2 13 -10.135 -0.289 -2.879
104 HN2 NH2 13 HN2 NH2 13 -10.547 -1.401 -1.651
Start of MODEL 8
1 H1 ILE 1 H ILE 1 3.782 6.352 -2.162
2 HA ILE 1 HA ILE 1 3.816 4.107 -2.551
3 HB ILE 1 HB ILE 1 6.379 4.672 -4.041
4 HG12 ILE 1 HG12 ILE 1 4.279 4.611 -5.869
5 HG13 ILE 1 HG13 ILE 1 3.658 5.576 -4.536
6 HG21 ILE 1 HG21 ILE 1 6.138 2.656 -5.052
7 HG22 ILE 1 HG22 ILE 1 5.316 2.278 -3.538
8 HG23 ILE 1 HG23 ILE 1 4.377 2.701 -4.970
9 HD11 ILE 1 HD11 ILE 1 4.970 6.671 -6.520
10 HD12 ILE 1 HD12 ILE 1 5.168 7.251 -4.866
11 HD13 ILE 1 HD13 ILE 1 6.374 6.177 -5.574
12 H PHE 2 H PHE 2 4.344 3.991 -0.175
13 HA PHE 2 HA PHE 2 6.877 2.534 0.172
14 HB2 PHE 2 HB2 PHE 2 6.845 4.877 1.195
15 HB3 PHE 2 HB3 PHE 2 5.660 4.246 2.334
16 HD1 PHE 2 HD1 PHE 2 9.126 3.842 1.113
17 HD2 PHE 2 HD2 PHE 2 6.323 2.983 4.198
18 HE1 PHE 2 HE1 PHE 2 10.950 2.994 2.530
19 HE2 PHE 2 HE2 PHE 2 8.142 2.136 5.621
20 HZ PHE 2 HZ PHE 2 10.460 2.140 4.788
21 H GLY 3 H GLY 3 6.594 0.523 0.870
22 HA2 GLY 3 HA2 GLY 3 5.751 -1.192 2.215
23 HA3 GLY 3 HA3 GLY 3 4.486 -0.103 2.768
24 H THR 4 H THR 4 5.245 -2.696 0.743
25 HA THR 4 HA THR 4 3.413 -2.428 -1.346
26 HB THR 4 HB THR 4 4.273 -4.989 0.015
27 HG1 THR 4 HG1 THR 4 6.108 -4.051 -0.737
28 HG21 THR 4 HG21 THR 4 2.395 -4.522 -2.057
29 HG22 THR 4 HG22 THR 4 3.825 -5.248 -2.790
30 HG23 THR 4 HG23 THR 4 3.003 -6.067 -1.462
31 H ILE 5 H ILE 5 3.006 -4.046 1.801
32 HA ILE 5 HA ILE 5 0.306 -4.759 1.409
33 HB ILE 5 HB ILE 5 1.712 -4.266 4.036
34 HG12 ILE 5 HG12 ILE 5 1.386 -6.874 2.540
35 HG13 ILE 5 HG13 ILE 5 2.851 -5.899 2.497
36 HG21 ILE 5 HG21 ILE 5 -0.399 -4.530 4.778
37 HG22 ILE 5 HG22 ILE 5 -0.939 -5.305 3.288
38 HG23 ILE 5 HG23 ILE 5 -0.068 -6.240 4.504
39 HD11 ILE 5 HD11 ILE 5 2.508 -7.922 4.184
40 HD12 ILE 5 HD12 ILE 5 3.474 -6.501 4.582
41 HD13 ILE 5 HD13 ILE 5 1.814 -6.630 5.164
42 H LEU 6 H LEU 6 1.840 -1.884 2.731
43 HA LEU 6 HA LEU 6 -0.447 -0.684 3.839
44 HB2 LEU 6 HB2 LEU 6 2.273 0.110 3.150
45 HB3 LEU 6 HB3 LEU 6 1.107 1.422 2.992
46 HG LEU 6 HG LEU 6 0.424 0.587 5.425
47 HD11 LEU 6 HD11 LEU 6 2.896 -0.788 4.873
48 HD12 LEU 6 HD12 LEU 6 3.071 0.304 6.246
49 HD13 LEU 6 HD13 LEU 6 1.813 -0.931 6.256
50 HD21 LEU 6 HD21 LEU 6 2.860 2.188 5.567
51 HD22 LEU 6 HD22 LEU 6 1.713 2.759 4.355
52 HD23 LEU 6 HD23 LEU 6 1.209 2.589 6.037
53 H GLY 7 H GLY 7 1.135 -0.048 0.700
54 HA2 GLY 7 HA2 GLY 7 -0.855 1.686 -0.275
55 HA3 GLY 7 HA3 GLY 7 0.307 0.811 -1.261
56 H PHE 8 H PHE 8 -0.445 -1.814 -0.640
57 HA PHE 8 HA PHE 8 -2.416 -2.323 -2.508
58 HB2 PHE 8 HB2 PHE 8 -0.923 -4.075 -1.785
59 HB3 PHE 8 HB3 PHE 8 -1.545 -3.988 -0.141
60 HD1 PHE 8 HD1 PHE 8 -2.664 -5.923 0.375
61 HD2 PHE 8 HD2 PHE 8 -3.195 -4.198 -3.481
62 HE1 PHE 8 HE1 PHE 8 -4.327 -7.653 -0.167
63 HE2 PHE 8 HE2 PHE 8 -4.860 -5.925 -4.027
64 HZ PHE 8 HZ PHE 8 -5.427 -7.656 -2.370
65 H LEU 9 H LEU 9 -2.735 -2.029 1.010
66 HA LEU 9 HA LEU 9 -5.468 -2.660 1.171
67 HB2 LEU 9 HB2 LEU 9 -3.812 -2.517 3.062
68 HB3 LEU 9 HB3 LEU 9 -3.981 -0.765 2.976
69 HG LEU 9 HG LEU 9 -6.477 -1.168 3.386
70 HD11 LEU 9 HD11 LEU 9 -6.900 -3.398 3.116
71 HD12 LEU 9 HD12 LEU 9 -5.350 -3.890 3.800
72 HD13 LEU 9 HD13 LEU 9 -6.648 -3.340 4.860
73 HD21 LEU 9 HD21 LEU 9 -5.701 -0.238 5.263
74 HD22 LEU 9 HD22 LEU 9 -5.673 -1.877 5.913
75 HD23 LEU 9 HD23 LEU 9 -4.210 -1.178 5.218
76 H LYS 10 H LYS 10 -3.868 0.526 1.125
77 HA LYS 10 HA LYS 10 -6.138 2.115 1.130
78 HB2 LYS 10 HB2 LYS 10 -3.353 2.473 0.115
79 HB3 LYS 10 HB3 LYS 10 -4.560 3.677 -0.313
80 HG2 LYS 10 HG2 LYS 10 -4.952 4.218 1.965
81 HG3 LYS 10 HG3 LYS 10 -3.998 2.839 2.519
82 HD2 LYS 10 HD2 LYS 10 -2.078 3.987 1.176
83 HD3 LYS 10 HD3 LYS 10 -3.084 5.429 1.333
84 HE2 LYS 10 HE2 LYS 10 -2.491 3.774 3.747
85 HE3 LYS 10 HE3 LYS 10 -1.264 4.878 3.129
86 HZ1 LYS 10 HZ1 LYS 10 -3.338 5.518 4.798
87 HZ2 LYS 10 HZ2 LYS 10 -2.342 6.608 3.972
88 HZ3 LYS 10 HZ3 LYS 10 -3.818 6.131 3.295
89 H GLY 11 H GLY 11 -4.560 0.462 -1.549
90 HA2 GLY 11 HA2 GLY 11 -6.353 -0.232 -3.238
91 HA3 GLY 11 HA3 GLY 11 -6.641 1.497 -3.364
92 H LEU 12 H LEU 12 -5.986 -0.046 -5.574
93 HA LEU 12 HA LEU 12 -4.548 -0.197 -7.335
94 HB2 LEU 12 HB2 LEU 12 -3.849 2.458 -6.131
95 HB3 LEU 12 HB3 LEU 12 -3.029 1.864 -7.574
96 HG LEU 12 HG LEU 12 -6.018 2.069 -7.497
97 HD11 LEU 12 HD11 LEU 12 -4.882 4.249 -6.801
98 HD12 LEU 12 HD12 LEU 12 -4.262 4.305 -8.451
99 HD13 LEU 12 HD13 LEU 12 -6.002 4.308 -8.162
100 HD21 LEU 12 HD21 LEU 12 -4.957 2.771 -9.980
101 HD22 LEU 12 HD22 LEU 12 -3.984 1.408 -9.427
102 HD23 LEU 12 HD23 LEU 12 -5.737 1.251 -9.543
103 HN1 NH2 13 HN1 NH2 13 -3.730 -1.790 -5.302
104 HN2 NH2 13 HN2 NH2 13 -2.030 -1.837 -5.156
Start of MODEL 9
1 H1 ILE 1 H ILE 1 8.613 4.181 -3.378
2 HA ILE 1 HA ILE 1 6.075 3.829 -2.137
3 HB ILE 1 HB ILE 1 8.201 1.771 -2.744
4 HG12 ILE 1 HG12 ILE 1 5.722 2.465 -4.328
5 HG13 ILE 1 HG13 ILE 1 7.323 3.096 -4.699
6 HG21 ILE 1 HG21 ILE 1 6.208 0.214 -2.722
7 HG22 ILE 1 HG22 ILE 1 6.734 0.826 -1.153
8 HG23 ILE 1 HG23 ILE 1 5.316 1.519 -1.940
9 HD11 ILE 1 HD11 ILE 1 6.146 0.649 -5.502
10 HD12 ILE 1 HD12 ILE 1 7.734 1.301 -5.911
11 HD13 ILE 1 HD13 ILE 1 7.538 0.286 -4.481
12 H PHE 2 H PHE 2 5.543 3.162 -0.105
13 HA PHE 2 HA PHE 2 7.718 3.190 1.871
14 HB2 PHE 2 HB2 PHE 2 4.761 3.740 2.184
15 HB3 PHE 2 HB3 PHE 2 5.903 3.679 3.522
16 HD1 PHE 2 HD1 PHE 2 4.216 5.811 1.386
17 HD2 PHE 2 HD2 PHE 2 8.070 5.213 3.093
18 HE1 PHE 2 HE1 PHE 2 4.733 8.191 1.043
19 HE2 PHE 2 HE2 PHE 2 8.593 7.592 2.753
20 HZ PHE 2 HZ PHE 2 6.924 9.086 1.728
21 H GLY 3 H GLY 3 4.856 1.414 0.822
22 HA2 GLY 3 HA2 GLY 3 5.885 -1.092 1.557
23 HA3 GLY 3 HA3 GLY 3 4.831 -0.533 2.848
24 H THR 4 H THR 4 4.878 -2.482 0.279
25 HA THR 4 HA THR 4 2.595 -1.858 -1.214
26 HB THR 4 HB THR 4 3.703 -4.604 -0.593
27 HG1 THR 4 HG1 THR 4 5.301 -3.530 -1.634
28 HG21 THR 4 HG21 THR 4 1.413 -3.729 -2.117
29 HG22 THR 4 HG22 THR 4 2.586 -4.540 -3.155
30 HG23 THR 4 HG23 THR 4 1.945 -5.367 -1.736
31 H ILE 5 H ILE 5 2.976 -3.709 1.773
32 HA ILE 5 HA ILE 5 0.452 -4.800 2.023
33 HB ILE 5 HB ILE 5 2.133 -3.656 4.258
34 HG12 ILE 5 HG12 ILE 5 3.386 -5.270 2.921
35 HG13 ILE 5 HG13 ILE 5 2.984 -5.961 4.490
36 HG21 ILE 5 HG21 ILE 5 0.167 -4.070 5.334
37 HG22 ILE 5 HG22 ILE 5 -0.330 -5.313 4.185
38 HG23 ILE 5 HG23 ILE 5 0.880 -5.681 5.415
39 HD11 ILE 5 HD11 ILE 5 2.227 -6.816 1.813
40 HD12 ILE 5 HD12 ILE 5 2.298 -7.726 3.323
41 HD13 ILE 5 HD13 ILE 5 0.876 -6.755 2.945
42 H LEU 6 H LEU 6 1.524 -1.517 2.707
43 HA LEU 6 HA LEU 6 -1.028 -0.734 3.809
44 HB2 LEU 6 HB2 LEU 6 1.345 0.941 2.998
45 HB3 LEU 6 HB3 LEU 6 -0.051 1.506 3.914
46 HG LEU 6 HG LEU 6 0.683 -0.350 5.609
47 HD11 LEU 6 HD11 LEU 6 2.998 -0.108 3.779
48 HD12 LEU 6 HD12 LEU 6 3.337 -0.183 5.508
49 HD13 LEU 6 HD13 LEU 6 2.437 -1.485 4.728
50 HD21 LEU 6 HD21 LEU 6 0.639 1.918 6.265
51 HD22 LEU 6 HD22 LEU 6 2.260 1.336 6.646
52 HD23 LEU 6 HD23 LEU 6 1.994 2.329 5.213
53 H GLY 7 H GLY 7 0.840 0.086 0.883
54 HA2 GLY 7 HA2 GLY 7 -0.989 1.755 -0.348
55 HA3 GLY 7 HA3 GLY 7 0.141 0.721 -1.211
56 H PHE 8 H PHE 8 -0.972 -1.759 -0.212
57 HA PHE 8 HA PHE 8 -2.803 -2.327 -2.221
58 HB2 PHE 8 HB2 PHE 8 -1.466 -3.994 -0.891
59 HB3 PHE 8 HB3 PHE 8 -2.616 -3.778 0.424
60 HD1 PHE 8 HD1 PHE 8 -4.824 -4.708 0.311
61 HD2 PHE 8 HD2 PHE 8 -2.123 -5.105 -2.955
62 HE1 PHE 8 HE1 PHE 8 -6.282 -6.425 -0.681
63 HE2 PHE 8 HE2 PHE 8 -3.577 -6.821 -3.953
64 HZ PHE 8 HZ PHE 8 -5.659 -7.483 -2.817
65 H LEU 9 H LEU 9 -3.471 -1.845 1.248
66 HA LEU 9 HA LEU 9 -6.279 -1.942 0.987
67 HB2 LEU 9 HB2 LEU 9 -4.820 -2.185 3.085
68 HB3 LEU 9 HB3 LEU 9 -4.839 -0.424 3.136
69 HG LEU 9 HG LEU 9 -7.451 -0.790 3.049
70 HD11 LEU 9 HD11 LEU 9 -6.860 -3.168 4.701
71 HD12 LEU 9 HD12 LEU 9 -8.268 -2.793 3.708
72 HD13 LEU 9 HD13 LEU 9 -6.786 -3.379 2.952
73 HD21 LEU 9 HD21 LEU 9 -5.487 -0.622 5.207
74 HD22 LEU 9 HD22 LEU 9 -6.960 0.308 4.937
75 HD23 LEU 9 HD23 LEU 9 -7.045 -1.275 5.709
76 H LYS 10 H LYS 10 -3.953 0.691 0.848
77 HA LYS 10 HA LYS 10 -5.773 2.834 0.942
78 HB2 LYS 10 HB2 LYS 10 -2.983 2.501 -0.101
79 HB3 LYS 10 HB3 LYS 10 -3.860 3.992 -0.419
80 HG2 LYS 10 HG2 LYS 10 -3.700 2.963 2.374
81 HG3 LYS 10 HG3 LYS 10 -2.305 3.782 1.664
82 HD2 LYS 10 HD2 LYS 10 -5.028 5.019 1.513
83 HD3 LYS 10 HD3 LYS 10 -4.061 5.167 2.982
84 HE2 LYS 10 HE2 LYS 10 -2.856 5.827 0.327
85 HE3 LYS 10 HE3 LYS 10 -3.911 6.993 1.125
86 HZ1 LYS 10 HZ1 LYS 10 -1.215 6.205 1.776
87 HZ2 LYS 10 HZ2 LYS 10 -2.043 7.635 2.141
88 HZ3 LYS 10 HZ3 LYS 10 -2.249 6.266 3.113
89 H GLY 11 H GLY 11 -4.638 0.814 -1.705
90 HA2 GLY 11 HA2 GLY 11 -6.167 0.413 -3.551
91 HA3 GLY 11 HA3 GLY 11 -6.664 2.095 -3.426
92 H LEU 12 H LEU 12 -4.950 0.011 -5.262
93 HA LEU 12 HA LEU 12 -2.555 1.263 -5.881
94 HB2 LEU 12 HB2 LEU 12 -4.390 -0.145 -7.814
95 HB3 LEU 12 HB3 LEU 12 -2.658 0.120 -8.015
96 HG LEU 12 HG LEU 12 -3.604 -1.443 -5.659
97 HD11 LEU 12 HD11 LEU 12 -3.093 -3.372 -7.533
98 HD12 LEU 12 HD12 LEU 12 -4.691 -2.888 -6.967
99 HD13 LEU 12 HD13 LEU 12 -4.031 -2.190 -8.445
100 HD21 LEU 12 HD21 LEU 12 -1.270 -2.065 -7.411
101 HD22 LEU 12 HD22 LEU 12 -1.181 -0.702 -6.296
102 HD23 LEU 12 HD23 LEU 12 -1.480 -2.327 -5.679
103 HN1 NH2 13 HN1 NH2 13 -2.018 2.464 -7.893
104 HN2 NH2 13 HN2 NH2 13 -3.036 3.726 -8.428
Start of MODEL 10
1 H1 ILE 1 H ILE 1 11.195 4.519 1.225
2 HA ILE 1 HA ILE 1 9.866 2.903 -0.793
3 HB ILE 1 HB ILE 1 9.350 1.368 1.058
4 HG12 ILE 1 HG12 ILE 1 10.968 3.203 2.825
5 HG13 ILE 1 HG13 ILE 1 9.210 3.242 2.775
6 HG21 ILE 1 HG21 ILE 1 11.451 0.457 1.141
7 HG22 ILE 1 HG22 ILE 1 11.648 1.586 -0.199
8 HG23 ILE 1 HG23 ILE 1 12.234 2.014 1.409
9 HD11 ILE 1 HD11 ILE 1 9.209 1.680 4.336
10 HD12 ILE 1 HD12 ILE 1 9.881 0.561 3.149
11 HD13 ILE 1 HD13 ILE 1 10.957 1.477 4.205
12 H PHE 2 H PHE 2 7.632 2.015 -0.076
13 HA PHE 2 HA PHE 2 5.978 4.268 0.854
14 HB2 PHE 2 HB2 PHE 2 5.702 2.514 -1.536
15 HB3 PHE 2 HB3 PHE 2 4.225 2.996 -0.707
16 HD1 PHE 2 HD1 PHE 2 6.837 3.993 -2.954
17 HD2 PHE 2 HD2 PHE 2 3.739 5.443 -0.420
18 HE1 PHE 2 HE1 PHE 2 6.886 6.151 -4.135
19 HE2 PHE 2 HE2 PHE 2 3.783 7.603 -1.597
20 HZ PHE 2 HZ PHE 2 5.356 7.959 -3.458
21 H GLY 3 H GLY 3 6.061 0.735 0.428
22 HA2 GLY 3 HA2 GLY 3 5.707 -0.666 2.390
23 HA3 GLY 3 HA3 GLY 3 4.525 0.513 2.939
24 H THR 4 H THR 4 5.097 -2.268 0.998
25 HA THR 4 HA THR 4 2.870 -2.292 -0.666
26 HB THR 4 HB THR 4 3.045 -4.850 -0.423
27 HG1 THR 4 HG1 THR 4 5.080 -5.473 0.555
28 HG21 THR 4 HG21 THR 4 5.708 -3.786 -1.181
29 HG22 THR 4 HG22 THR 4 4.625 -4.863 -2.064
30 HG23 THR 4 HG23 THR 4 4.308 -3.129 -2.030
31 H ILE 5 H ILE 5 3.191 -3.315 2.703
32 HA ILE 5 HA ILE 5 0.720 -4.536 3.052
33 HB ILE 5 HB ILE 5 2.231 -2.872 5.070
34 HG12 ILE 5 HG12 ILE 5 2.291 -5.863 4.636
35 HG13 ILE 5 HG13 ILE 5 3.511 -4.757 4.014
36 HG21 ILE 5 HG21 ILE 5 0.008 -3.200 5.856
37 HG22 ILE 5 HG22 ILE 5 0.028 -4.899 5.381
38 HG23 ILE 5 HG23 ILE 5 1.041 -4.343 6.714
39 HD11 ILE 5 HD11 ILE 5 3.957 -4.053 6.359
40 HD12 ILE 5 HD12 ILE 5 2.867 -5.333 6.891
41 HD13 ILE 5 HD13 ILE 5 4.342 -5.739 6.013
42 H LEU 6 H LEU 6 1.586 -1.122 3.111
43 HA LEU 6 HA LEU 6 -1.036 -0.275 3.946
44 HB2 LEU 6 HB2 LEU 6 1.523 1.037 3.228
45 HB3 LEU 6 HB3 LEU 6 0.051 1.988 3.042
46 HG LEU 6 HG LEU 6 1.244 2.335 5.201
47 HD11 LEU 6 HD11 LEU 6 -1.202 1.269 6.255
48 HD12 LEU 6 HD12 LEU 6 -0.732 2.949 5.995
49 HD13 LEU 6 HD13 LEU 6 -1.494 2.034 4.694
50 HD21 LEU 6 HD21 LEU 6 1.646 -0.308 5.254
51 HD22 LEU 6 HD22 LEU 6 1.622 0.688 6.709
52 HD23 LEU 6 HD23 LEU 6 0.187 -0.223 6.241
53 H GLY 7 H GLY 7 0.859 0.083 0.941
54 HA2 GLY 7 HA2 GLY 7 -1.073 1.274 -0.637
55 HA3 GLY 7 HA3 GLY 7 0.181 0.208 -1.251
56 H PHE 8 H PHE 8 -0.743 -2.111 0.237
57 HA PHE 8 HA PHE 8 -2.377 -3.308 -1.639
58 HB2 PHE 8 HB2 PHE 8 -1.038 -4.446 0.178
59 HB3 PHE 8 HB3 PHE 8 -2.345 -4.048 1.288
60 HD1 PHE 8 HD1 PHE 8 -4.213 -5.427 1.468
61 HD2 PHE 8 HD2 PHE 8 -1.589 -5.865 -1.855
62 HE1 PHE 8 HE1 PHE 8 -5.402 -7.477 0.804
63 HE2 PHE 8 HE2 PHE 8 -2.774 -7.915 -2.524
64 HZ PHE 8 HZ PHE 8 -4.683 -8.724 -1.195
65 H LEU 9 H LEU 9 -3.263 -1.487 1.232
66 HA LEU 9 HA LEU 9 -6.049 -2.114 1.091
67 HB2 LEU 9 HB2 LEU 9 -4.334 -0.288 2.676
68 HB3 LEU 9 HB3 LEU 9 -6.048 0.104 2.567
69 HG LEU 9 HG LEU 9 -5.582 -1.136 4.597
70 HD11 LEU 9 HD11 LEU 9 -6.923 -3.283 3.148
71 HD12 LEU 9 HD12 LEU 9 -7.507 -2.259 4.461
72 HD13 LEU 9 HD13 LEU 9 -7.572 -1.681 2.797
73 HD21 LEU 9 HD21 LEU 9 -4.871 -3.589 3.071
74 HD22 LEU 9 HD22 LEU 9 -3.619 -2.379 3.352
75 HD23 LEU 9 HD23 LEU 9 -4.452 -3.120 4.719
76 H LYS 10 H LYS 10 -4.125 0.762 0.263
77 HA LYS 10 HA LYS 10 -6.204 2.358 -0.683
78 HB2 LYS 10 HB2 LYS 10 -3.968 3.237 -0.277
79 HB3 LYS 10 HB3 LYS 10 -3.318 2.252 -1.580
80 HG2 LYS 10 HG2 LYS 10 -3.518 4.420 -2.454
81 HG3 LYS 10 HG3 LYS 10 -4.871 3.509 -3.129
82 HD2 LYS 10 HD2 LYS 10 -5.962 5.410 -2.468
83 HD3 LYS 10 HD3 LYS 10 -6.117 4.443 -0.998
84 HE2 LYS 10 HE2 LYS 10 -3.771 6.262 -1.374
85 HE3 LYS 10 HE3 LYS 10 -5.319 6.908 -0.833
86 HZ1 LYS 10 HZ1 LYS 10 -4.541 6.379 1.185
87 HZ2 LYS 10 HZ2 LYS 10 -5.009 4.801 0.792
88 HZ3 LYS 10 HZ3 LYS 10 -3.399 5.282 0.590
89 H GLY 11 H GLY 11 -4.310 -0.133 -2.315
90 HA2 GLY 11 HA2 GLY 11 -4.850 -1.371 -4.190
91 HA3 GLY 11 HA3 GLY 11 -6.382 -0.515 -4.263
92 H LEU 12 H LEU 12 -6.666 0.813 -5.925
93 HA LEU 12 HA LEU 12 -4.274 1.852 -7.297
94 HB2 LEU 12 HB2 LEU 12 -6.901 1.001 -8.505
95 HB3 LEU 12 HB3 LEU 12 -5.580 1.763 -9.388
96 HG LEU 12 HG LEU 12 -5.550 -0.964 -8.101
97 HD11 LEU 12 HD11 LEU 12 -6.760 -0.457 -10.356
98 HD12 LEU 12 HD12 LEU 12 -5.119 -0.404 -10.999
99 HD13 LEU 12 HD13 LEU 12 -5.711 -1.866 -10.209
100 HD21 LEU 12 HD21 LEU 12 -3.369 -0.058 -7.846
101 HD22 LEU 12 HD22 LEU 12 -3.317 -1.139 -9.239
102 HD23 LEU 12 HD23 LEU 12 -3.384 0.607 -9.480
103 HN1 NH2 13 HN1 NH2 13 -7.786 2.455 -7.440
104 HN2 NH2 13 HN2 NH2 13 -7.733 4.149 -7.226
Start of MODEL 11
1 H1 ILE 1 H ILE 1 7.711 6.174 -0.819
2 HA ILE 1 HA ILE 1 7.225 4.409 -3.116
3 HB ILE 1 HB ILE 1 9.584 4.432 -1.232
4 HG12 ILE 1 HG12 ILE 1 9.452 6.471 -2.620
5 HG13 ILE 1 HG13 ILE 1 10.825 5.461 -3.064
6 HG21 ILE 1 HG21 ILE 1 8.783 2.725 -3.521
7 HG22 ILE 1 HG22 ILE 1 10.491 3.137 -3.362
8 HG23 ILE 1 HG23 ILE 1 9.657 2.308 -2.047
9 HD11 ILE 1 HD11 ILE 1 8.854 6.491 -4.744
10 HD12 ILE 1 HD12 ILE 1 10.114 5.326 -5.152
11 HD13 ILE 1 HD13 ILE 1 8.526 4.761 -4.631
12 H PHE 2 H PHE 2 8.323 3.931 0.244
13 HA PHE 2 HA PHE 2 7.405 1.298 0.455
14 HB2 PHE 2 HB2 PHE 2 8.017 3.395 2.534
15 HB3 PHE 2 HB3 PHE 2 7.526 1.761 2.967
16 HD1 PHE 2 HD1 PHE 2 10.264 3.794 2.618
17 HD2 PHE 2 HD2 PHE 2 8.908 -0.089 1.522
18 HE1 PHE 2 HE1 PHE 2 12.597 3.042 2.411
19 HE2 PHE 2 HE2 PHE 2 11.240 -0.847 1.313
20 HZ PHE 2 HZ PHE 2 13.087 0.719 1.756
21 H GLY 3 H GLY 3 5.672 0.476 1.856
22 HA2 GLY 3 HA2 GLY 3 3.586 0.945 3.033
23 HA3 GLY 3 HA3 GLY 3 3.336 2.282 1.920
24 H THR 4 H THR 4 4.385 -0.998 1.127
25 HA THR 4 HA THR 4 2.473 -1.215 -0.971
26 HB THR 4 HB THR 4 3.277 -3.541 -1.202
27 HG1 THR 4 HG1 THR 4 4.759 -4.357 0.245
28 HG21 THR 4 HG21 THR 4 5.869 -2.722 -1.183
29 HG22 THR 4 HG22 THR 4 4.717 -2.349 -2.465
30 HG23 THR 4 HG23 THR 4 5.023 -1.174 -1.187
31 H ILE 5 H ILE 5 2.805 -2.839 2.180
32 HA ILE 5 HA ILE 5 0.545 -4.454 2.031
33 HB ILE 5 HB ILE 5 1.704 -3.156 4.500
34 HG12 ILE 5 HG12 ILE 5 2.235 -5.918 3.399
35 HG13 ILE 5 HG13 ILE 5 3.277 -4.536 3.083
36 HG21 ILE 5 HG21 ILE 5 0.714 -5.413 5.443
37 HG22 ILE 5 HG22 ILE 5 -0.281 -3.964 5.291
38 HG23 ILE 5 HG23 ILE 5 -0.378 -5.233 4.071
39 HD11 ILE 5 HD11 ILE 5 2.784 -5.968 5.659
40 HD12 ILE 5 HD12 ILE 5 4.311 -5.627 4.846
41 HD13 ILE 5 HD13 ILE 5 3.421 -4.323 5.633
42 H LEU 6 H LEU 6 0.865 -1.073 2.945
43 HA LEU 6 HA LEU 6 -1.834 -0.804 3.860
44 HB2 LEU 6 HB2 LEU 6 0.199 1.268 3.050
45 HB3 LEU 6 HB3 LEU 6 -1.350 1.620 3.813
46 HG LEU 6 HG LEU 6 -0.437 0.058 5.705
47 HD11 LEU 6 HD11 LEU 6 1.609 -0.725 5.325
48 HD12 LEU 6 HD12 LEU 6 1.851 0.357 3.953
49 HD13 LEU 6 HD13 LEU 6 2.188 0.920 5.590
50 HD21 LEU 6 HD21 LEU 6 0.929 2.218 6.476
51 HD22 LEU 6 HD22 LEU 6 0.039 2.922 5.126
52 HD23 LEU 6 HD23 LEU 6 -0.834 2.161 6.457
53 H GLY 7 H GLY 7 -0.130 0.460 0.984
54 HA2 GLY 7 HA2 GLY 7 -2.319 1.524 -0.337
55 HA3 GLY 7 HA3 GLY 7 -0.888 0.895 -1.139
56 H PHE 8 H PHE 8 -1.258 -1.820 -0.172
57 HA PHE 8 HA PHE 8 -2.690 -2.911 -2.277
58 HB2 PHE 8 HB2 PHE 8 -1.033 -4.078 -0.745
59 HB3 PHE 8 HB3 PHE 8 -2.355 -4.262 0.402
60 HD1 PHE 8 HD1 PHE 8 -3.925 -5.988 0.175
61 HD2 PHE 8 HD2 PHE 8 -1.239 -5.132 -3.015
62 HE1 PHE 8 HE1 PHE 8 -4.631 -8.049 -0.968
63 HE2 PHE 8 HE2 PHE 8 -1.942 -7.192 -4.164
64 HZ PHE 8 HZ PHE 8 -3.640 -8.653 -3.140
65 H LEU 9 H LEU 9 -3.772 -2.048 0.961
66 HA LEU 9 HA LEU 9 -6.247 -3.278 1.026
67 HB2 LEU 9 HB2 LEU 9 -5.497 -0.562 2.097
68 HB3 LEU 9 HB3 LEU 9 -6.931 -1.476 2.558
69 HG LEU 9 HG LEU 9 -4.165 -2.567 2.987
70 HD11 LEU 9 HD11 LEU 9 -5.662 -0.544 4.589
71 HD12 LEU 9 HD12 LEU 9 -4.663 -1.743 5.411
72 HD13 LEU 9 HD13 LEU 9 -3.938 -0.648 4.233
73 HD21 LEU 9 HD21 LEU 9 -5.378 -4.325 3.614
74 HD22 LEU 9 HD22 LEU 9 -5.896 -3.365 5.000
75 HD23 LEU 9 HD23 LEU 9 -6.882 -3.406 3.538
76 H LYS 10 H LYS 10 -5.408 -0.095 -0.309
77 HA LYS 10 HA LYS 10 -8.080 0.389 -1.250
78 HB2 LYS 10 HB2 LYS 10 -5.471 1.818 -1.370
79 HB3 LYS 10 HB3 LYS 10 -6.684 2.235 -2.572
80 HG2 LYS 10 HG2 LYS 10 -6.829 3.737 -0.692
81 HG3 LYS 10 HG3 LYS 10 -8.278 2.732 -0.771
82 HD2 LYS 10 HD2 LYS 10 -7.463 1.325 1.001
83 HD3 LYS 10 HD3 LYS 10 -5.906 2.154 1.002
84 HE2 LYS 10 HE2 LYS 10 -8.369 3.766 1.435
85 HE3 LYS 10 HE3 LYS 10 -7.797 2.742 2.753
86 HZ1 LYS 10 HZ1 LYS 10 -5.911 3.971 3.014
87 HZ2 LYS 10 HZ2 LYS 10 -5.866 4.484 1.403
88 HZ3 LYS 10 HZ3 LYS 10 -6.958 5.190 2.485
89 H GLY 11 H GLY 11 -5.056 -0.769 -2.630
90 HA2 GLY 11 HA2 GLY 11 -4.602 -1.809 -4.624
91 HA3 GLY 11 HA3 GLY 11 -6.318 -2.172 -4.712
92 H LEU 12 H LEU 12 -4.098 0.582 -5.139
93 HA LEU 12 HA LEU 12 -5.549 1.247 -7.604
94 HB2 LEU 12 HB2 LEU 12 -5.717 3.509 -7.090
95 HB3 LEU 12 HB3 LEU 12 -6.177 2.693 -5.597
96 HG LEU 12 HG LEU 12 -3.451 3.872 -6.118
97 HD11 LEU 12 HD11 LEU 12 -5.944 5.132 -5.383
98 HD12 LEU 12 HD12 LEU 12 -4.724 5.325 -4.124
99 HD13 LEU 12 HD13 LEU 12 -4.385 5.857 -5.771
100 HD21 LEU 12 HD21 LEU 12 -3.526 3.731 -3.515
101 HD22 LEU 12 HD22 LEU 12 -4.754 2.498 -3.807
102 HD23 LEU 12 HD23 LEU 12 -3.129 2.298 -4.465
103 HN1 NH2 13 HN1 NH2 13 -4.315 2.319 -9.202
104 HN2 NH2 13 HN2 NH2 13 -2.607 2.318 -9.227
Start of MODEL 12
1 H1 ILE 1 H ILE 1 6.733 5.615 -2.101
2 HA ILE 1 HA ILE 1 5.539 5.038 0.532
3 HB ILE 1 HB ILE 1 4.389 4.364 -2.178
4 HG12 ILE 1 HG12 ILE 1 3.277 6.260 -0.109
5 HG13 ILE 1 HG13 ILE 1 4.308 6.795 -1.431
6 HG21 ILE 1 HG21 ILE 1 3.553 3.709 0.621
7 HG22 ILE 1 HG22 ILE 1 2.364 3.818 -0.676
8 HG23 ILE 1 HG23 ILE 1 3.679 2.648 -0.783
9 HD11 ILE 1 HD11 ILE 1 2.583 5.639 -2.948
10 HD12 ILE 1 HD12 ILE 1 1.534 5.692 -1.532
11 HD13 ILE 1 HD13 ILE 1 2.169 7.190 -2.215
12 H PHE 2 H PHE 2 6.842 3.516 1.375
13 HA PHE 2 HA PHE 2 7.556 1.216 -0.318
14 HB2 PHE 2 HB2 PHE 2 8.899 2.418 2.099
15 HB3 PHE 2 HB3 PHE 2 9.290 0.801 1.521
16 HD1 PHE 2 HD1 PHE 2 9.335 4.384 0.654
17 HD2 PHE 2 HD2 PHE 2 10.665 0.474 -0.375
18 HE1 PHE 2 HE1 PHE 2 10.923 5.352 -0.957
19 HE2 PHE 2 HE2 PHE 2 12.256 1.435 -1.987
20 HZ PHE 2 HZ PHE 2 12.387 3.877 -2.279
21 H GLY 3 H GLY 3 5.926 -0.217 -0.052
22 HA2 GLY 3 HA2 GLY 3 5.747 -1.973 1.986
23 HA3 GLY 3 HA3 GLY 3 4.727 -0.656 2.547
24 H THR 4 H THR 4 4.983 -3.372 0.470
25 HA THR 4 HA THR 4 2.935 -2.903 -1.359
26 HB THR 4 HB THR 4 3.331 -5.640 -0.204
27 HG1 THR 4 HG1 THR 4 5.202 -5.772 -1.625
28 HG21 THR 4 HG21 THR 4 2.975 -6.358 -2.459
29 HG22 THR 4 HG22 THR 4 1.724 -5.176 -2.076
30 HG23 THR 4 HG23 THR 4 3.107 -4.707 -3.065
31 H ILE 5 H ILE 5 2.776 -4.447 1.842
32 HA ILE 5 HA ILE 5 0.042 -5.021 1.840
33 HB ILE 5 HB ILE 5 1.728 -4.301 4.239
34 HG12 ILE 5 HG12 ILE 5 2.738 -6.100 2.882
35 HG13 ILE 5 HG13 ILE 5 2.173 -6.693 4.440
36 HG21 ILE 5 HG21 ILE 5 -0.003 -6.113 5.155
37 HG22 ILE 5 HG22 ILE 5 -0.341 -4.382 5.162
38 HG23 ILE 5 HG23 ILE 5 -0.994 -5.402 3.880
39 HD11 ILE 5 HD11 ILE 5 0.052 -6.999 2.606
40 HD12 ILE 5 HD12 ILE 5 1.517 -7.608 1.836
41 HD13 ILE 5 HD13 ILE 5 1.011 -8.251 3.398
42 H LEU 6 H LEU 6 1.699 -2.252 3.364
43 HA LEU 6 HA LEU 6 -0.535 -0.867 4.217
44 HB2 LEU 6 HB2 LEU 6 1.929 -0.373 4.633
45 HB3 LEU 6 HB3 LEU 6 1.902 0.485 3.093
46 HG LEU 6 HG LEU 6 -0.030 1.217 5.261
47 HD11 LEU 6 HD11 LEU 6 1.500 2.700 6.268
48 HD12 LEU 6 HD12 LEU 6 2.334 1.150 6.163
49 HD13 LEU 6 HD13 LEU 6 2.707 2.433 5.011
50 HD21 LEU 6 HD21 LEU 6 -0.571 2.835 3.844
51 HD22 LEU 6 HD22 LEU 6 1.108 3.364 3.745
52 HD23 LEU 6 HD23 LEU 6 0.512 2.112 2.655
53 H GLY 7 H GLY 7 1.196 -0.471 1.123
54 HA2 GLY 7 HA2 GLY 7 -0.487 1.468 0.020
55 HA3 GLY 7 HA3 GLY 7 0.495 0.341 -0.905
56 H PHE 8 H PHE 8 -0.775 -2.046 0.041
57 HA PHE 8 HA PHE 8 -2.767 -2.374 -1.858
58 HB2 PHE 8 HB2 PHE 8 -1.447 -4.125 -0.441
59 HB3 PHE 8 HB3 PHE 8 -2.798 -3.977 0.678
60 HD1 PHE 8 HD1 PHE 8 -5.091 -4.567 -0.081
61 HD2 PHE 8 HD2 PHE 8 -1.640 -5.351 -2.447
62 HE1 PHE 8 HE1 PHE 8 -6.382 -6.174 -1.426
63 HE2 PHE 8 HE2 PHE 8 -2.926 -6.958 -3.796
64 HZ PHE 8 HZ PHE 8 -5.300 -7.370 -3.286
65 H LEU 9 H LEU 9 -3.013 -1.386 1.509
66 HA LEU 9 HA LEU 9 -5.863 -1.500 1.619
67 HB2 LEU 9 HB2 LEU 9 -3.685 -0.475 3.354
68 HB3 LEU 9 HB3 LEU 9 -5.306 0.166 3.615
69 HG LEU 9 HG LEU 9 -5.900 -2.428 3.663
70 HD11 LEU 9 HD11 LEU 9 -4.232 -3.852 4.113
71 HD12 LEU 9 HD12 LEU 9 -3.198 -2.615 3.396
72 HD13 LEU 9 HD13 LEU 9 -3.392 -2.699 5.148
73 HD21 LEU 9 HD21 LEU 9 -6.296 -0.709 5.418
74 HD22 LEU 9 HD22 LEU 9 -5.874 -2.297 6.057
75 HD23 LEU 9 HD23 LEU 9 -4.667 -1.011 6.021
76 H LYS 10 H LYS 10 -3.501 1.087 1.098
77 HA LYS 10 HA LYS 10 -5.360 3.207 0.980
78 HB2 LYS 10 HB2 LYS 10 -2.771 3.259 1.192
79 HB3 LYS 10 HB3 LYS 10 -2.783 3.200 -0.566
80 HG2 LYS 10 HG2 LYS 10 -2.609 5.475 0.046
81 HG3 LYS 10 HG3 LYS 10 -4.262 5.229 -0.522
82 HD2 LYS 10 HD2 LYS 10 -5.134 5.285 1.662
83 HD3 LYS 10 HD3 LYS 10 -3.541 5.066 2.391
84 HE2 LYS 10 HE2 LYS 10 -2.955 7.259 2.099
85 HE3 LYS 10 HE3 LYS 10 -3.988 7.459 0.685
86 HZ1 LYS 10 HZ1 LYS 10 -5.205 8.609 2.187
87 HZ2 LYS 10 HZ2 LYS 10 -5.837 7.073 2.515
88 HZ3 LYS 10 HZ3 LYS 10 -4.639 7.727 3.515
89 H GLY 11 H GLY 11 -4.080 1.012 -1.466
90 HA2 GLY 11 HA2 GLY 11 -6.313 1.219 -3.142
91 HA3 GLY 11 HA3 GLY 11 -5.096 2.340 -3.735
92 H LEU 12 H LEU 12 -4.409 1.384 -5.563
93 HA LEU 12 HA LEU 12 -3.488 -1.409 -5.373
94 HB2 LEU 12 HB2 LEU 12 -3.650 -1.281 -7.930
95 HB3 LEU 12 HB3 LEU 12 -5.140 -1.414 -6.998
96 HG LEU 12 HG LEU 12 -4.203 1.299 -7.791
97 HD11 LEU 12 HD11 LEU 12 -5.690 0.860 -9.894
98 HD12 LEU 12 HD12 LEU 12 -3.977 0.439 -9.907
99 HD13 LEU 12 HD13 LEU 12 -5.191 -0.814 -9.647
100 HD21 LEU 12 HD21 LEU 12 -6.169 1.745 -6.852
101 HD22 LEU 12 HD22 LEU 12 -6.931 0.950 -8.230
102 HD23 LEU 12 HD23 LEU 12 -6.586 0.034 -6.764
103 HN1 NH2 13 HN1 NH2 13 -2.705 1.821 -6.548
104 HN2 NH2 13 HN2 NH2 13 -1.031 1.590 -6.797
Start of MODEL 13
1 H1 ILE 1 H ILE 1 11.426 4.258 3.011
2 HA ILE 1 HA ILE 1 10.709 1.998 1.489
3 HB ILE 1 HB ILE 1 11.138 0.827 3.633
4 HG12 ILE 1 HG12 ILE 1 8.959 -0.365 3.716
5 HG13 ILE 1 HG13 ILE 1 8.247 0.915 2.739
6 HG21 ILE 1 HG21 ILE 1 9.696 1.183 5.540
7 HG22 ILE 1 HG22 ILE 1 10.502 2.693 5.117
8 HG23 ILE 1 HG23 ILE 1 8.813 2.441 4.674
9 HD11 ILE 1 HD11 ILE 1 9.595 -1.417 1.887
10 HD12 ILE 1 HD12 ILE 1 8.872 -0.143 0.907
11 HD13 ILE 1 HD13 ILE 1 10.560 -0.025 1.400
12 H PHE 2 H PHE 2 8.735 2.284 0.592
13 HA PHE 2 HA PHE 2 7.323 4.726 1.249
14 HB2 PHE 2 HB2 PHE 2 7.824 3.850 -1.119
15 HB3 PHE 2 HB3 PHE 2 6.494 2.729 -0.846
16 HD1 PHE 2 HD1 PHE 2 7.127 6.372 -0.312
17 HD2 PHE 2 HD2 PHE 2 4.512 3.358 -1.792
18 HE1 PHE 2 HE1 PHE 2 5.529 8.107 -1.012
19 HE2 PHE 2 HE2 PHE 2 2.910 5.088 -2.496
20 HZ PHE 2 HZ PHE 2 3.418 7.466 -2.106
21 H GLY 3 H GLY 3 6.545 1.257 1.043
22 HA2 GLY 3 HA2 GLY 3 5.239 0.563 3.138
23 HA3 GLY 3 HA3 GLY 3 4.103 1.792 2.604
24 H THR 4 H THR 4 5.354 -1.398 2.052
25 HA THR 4 HA THR 4 4.035 -1.949 -0.385
26 HB THR 4 HB THR 4 4.728 -3.970 1.750
27 HG1 THR 4 HG1 THR 4 6.769 -3.709 1.229
28 HG21 THR 4 HG21 THR 4 4.592 -4.229 -1.256
29 HG22 THR 4 HG22 THR 4 4.922 -5.520 -0.099
30 HG23 THR 4 HG23 THR 4 3.331 -4.757 -0.141
31 H ILE 5 H ILE 5 3.142 -2.645 2.989
32 HA ILE 5 HA ILE 5 0.690 -3.896 2.421
33 HB ILE 5 HB ILE 5 1.432 -2.343 4.904
34 HG12 ILE 5 HG12 ILE 5 3.067 -4.099 4.406
35 HG13 ILE 5 HG13 ILE 5 2.107 -4.524 5.818
36 HG21 ILE 5 HG21 ILE 5 -0.903 -2.696 4.927
37 HG22 ILE 5 HG22 ILE 5 -0.736 -4.342 4.317
38 HG23 ILE 5 HG23 ILE 5 -0.215 -3.951 5.956
39 HD11 ILE 5 HD11 ILE 5 0.698 -5.944 4.336
40 HD12 ILE 5 HD12 ILE 5 1.841 -5.619 3.033
41 HD13 ILE 5 HD13 ILE 5 2.376 -6.472 4.481
42 H LEU 6 H LEU 6 1.499 -0.515 3.097
43 HA LEU 6 HA LEU 6 -1.144 0.462 3.138
44 HB2 LEU 6 HB2 LEU 6 1.559 1.654 2.805
45 HB3 LEU 6 HB3 LEU 6 0.160 2.635 2.373
46 HG LEU 6 HG LEU 6 0.515 1.361 5.080
47 HD11 LEU 6 HD11 LEU 6 0.857 4.236 4.960
48 HD12 LEU 6 HD12 LEU 6 1.850 3.009 5.748
49 HD13 LEU 6 HD13 LEU 6 2.095 3.379 4.041
50 HD21 LEU 6 HD21 LEU 6 -1.037 3.604 5.328
51 HD22 LEU 6 HD22 LEU 6 -1.549 2.956 3.770
52 HD23 LEU 6 HD23 LEU 6 -1.637 1.950 5.216
53 H GLY 7 H GLY 7 1.306 0.665 0.544
54 HA2 GLY 7 HA2 GLY 7 -0.313 1.759 -1.425
55 HA3 GLY 7 HA3 GLY 7 1.076 0.730 -1.739
56 H PHE 8 H PHE 8 0.233 -1.674 -0.693
57 HA PHE 8 HA PHE 8 -1.290 -2.729 -2.788
58 HB2 PHE 8 HB2 PHE 8 0.295 -3.929 -1.140
59 HB3 PHE 8 HB3 PHE 8 -1.109 -4.038 -0.084
60 HD1 PHE 8 HD1 PHE 8 -3.263 -5.032 -1.206
61 HD2 PHE 8 HD2 PHE 8 0.704 -5.631 -2.627
62 HE1 PHE 8 HE1 PHE 8 -3.998 -7.058 -2.393
63 HE2 PHE 8 HE2 PHE 8 -0.025 -7.658 -3.816
64 HZ PHE 8 HZ PHE 8 -2.378 -8.375 -3.700
65 H LEU 9 H LEU 9 -2.218 -1.635 0.428
66 HA LEU 9 HA LEU 9 -4.904 -2.576 0.278
67 HB2 LEU 9 HB2 LEU 9 -3.783 -2.143 2.405
68 HB3 LEU 9 HB3 LEU 9 -3.682 -0.429 2.006
69 HG LEU 9 HG LEU 9 -6.212 -0.416 1.983
70 HD11 LEU 9 HD11 LEU 9 -7.434 -2.183 2.870
71 HD12 LEU 9 HD12 LEU 9 -6.258 -2.983 1.828
72 HD13 LEU 9 HD13 LEU 9 -6.010 -2.946 3.573
73 HD21 LEU 9 HD21 LEU 9 -5.935 0.502 3.981
74 HD22 LEU 9 HD22 LEU 9 -5.800 -1.094 4.719
75 HD23 LEU 9 HD23 LEU 9 -4.358 -0.277 4.113
76 H LYS 10 H LYS 10 -3.338 0.536 -0.342
77 HA LYS 10 HA LYS 10 -5.719 1.976 -0.870
78 HB2 LYS 10 HB2 LYS 10 -3.294 2.819 -0.395
79 HB3 LYS 10 HB3 LYS 10 -3.090 2.674 -2.135
80 HG2 LYS 10 HG2 LYS 10 -4.726 4.302 -2.571
81 HG3 LYS 10 HG3 LYS 10 -5.338 4.244 -0.916
82 HD2 LYS 10 HD2 LYS 10 -2.950 5.012 -0.267
83 HD3 LYS 10 HD3 LYS 10 -2.819 5.485 -1.963
84 HE2 LYS 10 HE2 LYS 10 -4.433 7.119 -1.768
85 HE3 LYS 10 HE3 LYS 10 -5.204 6.342 -0.387
86 HZ1 LYS 10 HZ1 LYS 10 -2.482 7.239 0.050
87 HZ2 LYS 10 HZ2 LYS 10 -3.612 8.473 -0.200
88 HZ3 LYS 10 HZ3 LYS 10 -3.839 7.361 1.055
89 H GLY 11 H GLY 11 -3.523 0.107 -2.898
90 HA2 GLY 11 HA2 GLY 11 -4.908 0.848 -5.332
91 HA3 GLY 11 HA3 GLY 11 -3.572 -0.285 -5.192
92 H LEU 12 H LEU 12 -6.301 -0.372 -6.519
93 HA LEU 12 HA LEU 12 -7.290 -2.827 -5.229
94 HB2 LEU 12 HB2 LEU 12 -9.359 -2.313 -6.674
95 HB3 LEU 12 HB3 LEU 12 -9.083 -1.373 -5.209
96 HG LEU 12 HG LEU 12 -8.118 0.432 -6.642
97 HD11 LEU 12 HD11 LEU 12 -8.704 0.353 -9.056
98 HD12 LEU 12 HD12 LEU 12 -7.475 -0.820 -8.580
99 HD13 LEU 12 HD13 LEU 12 -9.137 -1.344 -8.851
100 HD21 LEU 12 HD21 LEU 12 -10.850 -0.020 -7.686
101 HD22 LEU 12 HD22 LEU 12 -10.657 0.007 -5.934
102 HD23 LEU 12 HD23 LEU 12 -10.154 1.396 -6.897
103 HN1 NH2 13 HN1 NH2 13 -5.049 -2.966 -6.882
104 HN2 NH2 13 HN2 NH2 13 -5.410 -3.812 -8.320
Start of MODEL 14
1 H1 ILE 1 H ILE 1 7.225 0.464 -2.735
2 HA ILE 1 HA ILE 1 8.521 2.266 -1.663
3 HB ILE 1 HB ILE 1 5.640 3.111 -1.969
4 HG12 ILE 1 HG12 ILE 1 6.770 3.722 -4.345
5 HG13 ILE 1 HG13 ILE 1 7.666 2.258 -3.956
6 HG21 ILE 1 HG21 ILE 1 7.641 4.946 -2.930
7 HG22 ILE 1 HG22 ILE 1 6.368 5.198 -1.736
8 HG23 ILE 1 HG23 ILE 1 7.926 4.535 -1.239
9 HD11 ILE 1 HD11 ILE 1 4.865 2.609 -4.737
10 HD12 ILE 1 HD12 ILE 1 5.956 1.245 -4.979
11 HD13 ILE 1 HD13 ILE 1 5.142 1.458 -3.430
12 H PHE 2 H PHE 2 8.758 1.207 0.522
13 HA PHE 2 HA PHE 2 8.660 1.321 2.792
14 HB2 PHE 2 HB2 PHE 2 8.825 3.863 1.959
15 HB3 PHE 2 HB3 PHE 2 7.257 3.941 2.755
16 HD1 PHE 2 HD1 PHE 2 10.302 4.985 3.334
17 HD2 PHE 2 HD2 PHE 2 7.607 2.162 5.034
18 HE1 PHE 2 HE1 PHE 2 11.425 5.228 5.509
19 HE2 PHE 2 HE2 PHE 2 8.726 2.402 7.212
20 HZ PHE 2 HZ PHE 2 10.638 3.936 7.453
21 H GLY 3 H GLY 3 6.680 -0.195 1.805
22 HA2 GLY 3 HA2 GLY 3 4.922 -0.838 3.597
23 HA3 GLY 3 HA3 GLY 3 4.199 0.688 3.111
24 H THR 4 H THR 4 5.401 -2.346 1.683
25 HA THR 4 HA THR 4 4.063 -2.184 -0.746
26 HB THR 4 HB THR 4 4.150 -4.724 -0.719
27 HG1 THR 4 HG1 THR 4 5.682 -4.366 1.643
28 HG21 THR 4 HG21 THR 4 5.942 -3.292 -1.654
29 HG22 THR 4 HG22 THR 4 6.727 -3.284 -0.074
30 HG23 THR 4 HG23 THR 4 6.560 -4.795 -0.969
31 H ILE 5 H ILE 5 2.923 -3.285 2.393
32 HA ILE 5 HA ILE 5 0.433 -4.303 1.399
33 HB ILE 5 HB ILE 5 1.230 -3.590 4.224
34 HG12 ILE 5 HG12 ILE 5 1.205 -6.261 4.212
35 HG13 ILE 5 HG13 ILE 5 1.603 -6.001 2.517
36 HG21 ILE 5 HG21 ILE 5 -0.639 -5.256 4.742
37 HG22 ILE 5 HG22 ILE 5 -1.109 -3.641 4.213
38 HG23 ILE 5 HG23 ILE 5 -1.163 -4.992 3.080
39 HD11 ILE 5 HD11 ILE 5 3.205 -4.373 4.309
40 HD12 ILE 5 HD12 ILE 5 3.380 -6.103 4.603
41 HD13 ILE 5 HD13 ILE 5 3.699 -5.444 2.999
42 H LEU 6 H LEU 6 1.468 -1.335 3.036
43 HA LEU 6 HA LEU 6 -1.081 -0.176 3.299
44 HB2 LEU 6 HB2 LEU 6 1.226 0.488 4.309
45 HB3 LEU 6 HB3 LEU 6 1.377 1.468 2.851
46 HG LEU 6 HG LEU 6 -1.052 1.763 4.563
47 HD11 LEU 6 HD11 LEU 6 1.277 3.500 5.141
48 HD12 LEU 6 HD12 LEU 6 -0.046 2.986 6.188
49 HD13 LEU 6 HD13 LEU 6 1.280 1.878 5.834
50 HD21 LEU 6 HD21 LEU 6 -0.149 4.221 3.705
51 HD22 LEU 6 HD22 LEU 6 0.252 3.148 2.365
52 HD23 LEU 6 HD23 LEU 6 -1.410 3.253 2.943
53 H GLY 7 H GLY 7 1.255 -0.174 0.668
54 HA2 GLY 7 HA2 GLY 7 -0.232 1.754 -0.888
55 HA3 GLY 7 HA3 GLY 7 1.187 0.859 -1.410
56 H PHE 8 H PHE 8 0.373 -1.743 -1.079
57 HA PHE 8 HA PHE 8 -0.985 -2.287 -3.427
58 HB2 PHE 8 HB2 PHE 8 0.335 -3.994 -2.360
59 HB3 PHE 8 HB3 PHE 8 -0.697 -3.969 -0.934
60 HD1 PHE 8 HD1 PHE 8 -2.868 -5.035 -0.949
61 HD2 PHE 8 HD2 PHE 8 -0.363 -5.099 -4.390
62 HE1 PHE 8 HE1 PHE 8 -4.256 -6.818 -1.922
63 HE2 PHE 8 HE2 PHE 8 -1.747 -6.881 -5.369
64 HZ PHE 8 HZ PHE 8 -3.696 -7.745 -4.135
65 H LEU 9 H LEU 9 -2.258 -2.111 -0.123
66 HA LEU 9 HA LEU 9 -4.929 -2.770 -0.853
67 HB2 LEU 9 HB2 LEU 9 -3.691 -1.535 1.586
68 HB3 LEU 9 HB3 LEU 9 -5.434 -1.747 1.435
69 HG LEU 9 HG LEU 9 -3.467 -4.023 1.256
70 HD11 LEU 9 HD11 LEU 9 -4.002 -2.513 3.524
71 HD12 LEU 9 HD12 LEU 9 -5.051 -3.922 3.671
72 HD13 LEU 9 HD13 LEU 9 -3.312 -4.135 3.470
73 HD21 LEU 9 HD21 LEU 9 -5.315 -5.009 0.457
74 HD22 LEU 9 HD22 LEU 9 -5.846 -5.007 2.139
75 HD23 LEU 9 HD23 LEU 9 -6.375 -3.728 1.047
76 H LYS 10 H LYS 10 -3.320 0.300 -0.055
77 HA LYS 10 HA LYS 10 -5.473 2.014 -0.320
78 HB2 LYS 10 HB2 LYS 10 -3.332 2.778 0.521
79 HB3 LYS 10 HB3 LYS 10 -2.574 2.478 -1.037
80 HG2 LYS 10 HG2 LYS 10 -3.714 4.275 -2.051
81 HG3 LYS 10 HG3 LYS 10 -4.822 4.437 -0.686
82 HD2 LYS 10 HD2 LYS 10 -3.069 5.250 0.726
83 HD3 LYS 10 HD3 LYS 10 -1.846 4.884 -0.494
84 HE2 LYS 10 HE2 LYS 10 -2.127 7.150 -0.791
85 HE3 LYS 10 HE3 LYS 10 -3.255 6.501 -1.980
86 HZ1 LYS 10 HZ1 LYS 10 -4.758 7.787 -0.994
87 HZ2 LYS 10 HZ2 LYS 10 -4.740 6.686 0.291
88 HZ3 LYS 10 HZ3 LYS 10 -3.778 8.075 0.355
89 H GLY 11 H GLY 11 -3.457 0.567 -2.813
90 HA2 GLY 11 HA2 GLY 11 -4.582 2.139 -4.944
91 HA3 GLY 11 HA3 GLY 11 -3.531 0.741 -5.120
92 H LEU 12 H LEU 12 -6.849 1.795 -4.658
93 HA LEU 12 HA LEU 12 -7.752 -0.868 -5.540
94 HB2 LEU 12 HB2 LEU 12 -9.970 -0.085 -4.497
95 HB3 LEU 12 HB3 LEU 12 -8.671 -0.627 -3.434
96 HG LEU 12 HG LEU 12 -8.091 1.800 -3.087
97 HD11 LEU 12 HD11 LEU 12 -10.027 3.367 -3.533
98 HD12 LEU 12 HD12 LEU 12 -9.088 2.866 -4.939
99 HD13 LEU 12 HD13 LEU 12 -10.657 2.128 -4.618
100 HD21 LEU 12 HD21 LEU 12 -9.544 1.986 -1.308
101 HD22 LEU 12 HD22 LEU 12 -10.903 1.314 -2.209
102 HD23 LEU 12 HD23 LEU 12 -9.613 0.256 -1.640
103 HN1 NH2 13 HN1 NH2 13 -6.903 1.057 -7.389
104 HN2 NH2 13 HN2 NH2 13 -8.221 1.604 -8.327
Start of MODEL 15
1 H1 ILE 1 H ILE 1 9.300 4.976 -2.472
2 HA ILE 1 HA ILE 1 7.291 5.939 -0.579
3 HB ILE 1 HB ILE 1 6.572 4.546 -3.160
4 HG12 ILE 1 HG12 ILE 1 5.711 7.289 -2.251
5 HG13 ILE 1 HG13 ILE 1 7.155 7.037 -3.226
6 HG21 ILE 1 HG21 ILE 1 4.227 5.353 -2.103
7 HG22 ILE 1 HG22 ILE 1 4.910 3.745 -1.865
8 HG23 ILE 1 HG23 ILE 1 5.128 4.987 -0.633
9 HD11 ILE 1 HD11 ILE 1 5.749 7.368 -4.934
10 HD12 ILE 1 HD12 ILE 1 5.324 5.676 -4.672
11 HD13 ILE 1 HD13 ILE 1 4.325 6.954 -3.980
12 H PHE 2 H PHE 2 7.368 4.581 1.074
13 HA PHE 2 HA PHE 2 8.032 1.763 0.576
14 HB2 PHE 2 HB2 PHE 2 9.469 3.067 2.162
15 HB3 PHE 2 HB3 PHE 2 8.066 3.247 3.211
16 HD1 PHE 2 HD1 PHE 2 9.664 0.428 1.351
17 HD2 PHE 2 HD2 PHE 2 8.126 1.883 5.043
18 HE1 PHE 2 HE1 PHE 2 10.191 -1.726 2.415
19 HE2 PHE 2 HE2 PHE 2 8.652 -0.269 6.114
20 HZ PHE 2 HZ PHE 2 9.684 -2.078 4.800
21 H GLY 3 H GLY 3 6.850 0.101 1.656
22 HA2 GLY 3 HA2 GLY 3 5.010 -0.701 2.928
23 HA3 GLY 3 HA3 GLY 3 4.259 0.883 2.786
24 H THR 4 H THR 4 5.293 -1.851 0.753
25 HA THR 4 HA THR 4 3.789 -1.289 -1.499
26 HB THR 4 HB THR 4 3.791 -3.777 -1.909
27 HG1 THR 4 HG1 THR 4 3.925 -4.864 -0.080
28 HG21 THR 4 HG21 THR 4 6.467 -2.653 -1.080
29 HG22 THR 4 HG22 THR 4 6.163 -3.907 -2.282
30 HG23 THR 4 HG23 THR 4 5.645 -2.249 -2.587
31 H ILE 5 H ILE 5 2.858 -3.375 1.240
32 HA ILE 5 HA ILE 5 0.244 -3.891 0.331
33 HB ILE 5 HB ILE 5 1.280 -3.899 3.169
34 HG12 ILE 5 HG12 ILE 5 0.898 -6.280 1.362
35 HG13 ILE 5 HG13 ILE 5 2.414 -5.388 1.407
36 HG21 ILE 5 HG21 ILE 5 -1.285 -4.787 1.929
37 HG22 ILE 5 HG22 ILE 5 -0.641 -5.660 3.319
38 HG23 ILE 5 HG23 ILE 5 -1.005 -3.940 3.450
39 HD11 ILE 5 HD11 ILE 5 1.367 -7.360 3.241
40 HD12 ILE 5 HD12 ILE 5 3.011 -6.754 3.046
41 HD13 ILE 5 HD13 ILE 5 1.865 -5.882 4.064
42 H LEU 6 H LEU 6 1.547 -1.406 2.488
43 HA LEU 6 HA LEU 6 -0.842 -0.282 3.362
44 HB2 LEU 6 HB2 LEU 6 1.957 0.510 3.216
45 HB3 LEU 6 HB3 LEU 6 0.851 1.875 3.088
46 HG LEU 6 HG LEU 6 1.576 1.545 5.386
47 HD11 LEU 6 HD11 LEU 6 -0.465 1.929 6.325
48 HD12 LEU 6 HD12 LEU 6 -0.884 2.131 4.624
49 HD13 LEU 6 HD13 LEU 6 -1.244 0.613 5.447
50 HD21 LEU 6 HD21 LEU 6 1.161 -0.430 6.621
51 HD22 LEU 6 HD22 LEU 6 0.182 -1.121 5.327
52 HD23 LEU 6 HD23 LEU 6 1.923 -0.940 5.114
53 H GLY 7 H GLY 7 1.046 0.404 0.440
54 HA2 GLY 7 HA2 GLY 7 -0.672 2.498 -0.464
55 HA3 GLY 7 HA3 GLY 7 0.554 1.676 -1.417
56 H PHE 8 H PHE 8 -0.316 -0.916 -1.394
57 HA PHE 8 HA PHE 8 -2.192 -0.976 -3.436
58 HB2 PHE 8 HB2 PHE 8 -0.802 -2.915 -1.783
59 HB3 PHE 8 HB3 PHE 8 -2.439 -3.447 -2.158
60 HD1 PHE 8 HD1 PHE 8 -3.151 -3.459 -4.602
61 HD2 PHE 8 HD2 PHE 8 0.904 -3.124 -3.350
62 HE1 PHE 8 HE1 PHE 8 -2.406 -4.186 -6.831
63 HE2 PHE 8 HE2 PHE 8 1.656 -3.849 -5.577
64 HZ PHE 8 HZ PHE 8 0.000 -4.381 -7.322
65 H LEU 9 H LEU 9 -2.694 -1.773 0.002
66 HA LEU 9 HA LEU 9 -5.428 -2.265 -0.120
67 HB2 LEU 9 HB2 LEU 9 -4.189 -2.841 1.834
68 HB3 LEU 9 HB3 LEU 9 -3.720 -1.164 2.100
69 HG LEU 9 HG LEU 9 -6.143 -0.661 2.538
70 HD11 LEU 9 HD11 LEU 9 -7.267 -2.456 1.500
71 HD12 LEU 9 HD12 LEU 9 -6.305 -3.656 2.363
72 HD13 LEU 9 HD13 LEU 9 -7.489 -2.684 3.235
73 HD21 LEU 9 HD21 LEU 9 -4.427 -2.396 4.245
74 HD22 LEU 9 HD22 LEU 9 -4.926 -0.721 4.479
75 HD23 LEU 9 HD23 LEU 9 -6.068 -2.032 4.777
76 H LYS 10 H LYS 10 -3.746 0.783 0.613
77 HA LYS 10 HA LYS 10 -6.019 2.368 0.985
78 HB2 LYS 10 HB2 LYS 10 -3.160 2.862 0.371
79 HB3 LYS 10 HB3 LYS 10 -4.274 4.176 0.017
80 HG2 LYS 10 HG2 LYS 10 -5.113 3.933 2.387
81 HG3 LYS 10 HG3 LYS 10 -3.730 2.872 2.667
82 HD2 LYS 10 HD2 LYS 10 -3.464 5.665 1.573
83 HD3 LYS 10 HD3 LYS 10 -3.410 5.299 3.300
84 HE2 LYS 10 HE2 LYS 10 -1.569 3.632 2.707
85 HE3 LYS 10 HE3 LYS 10 -1.506 4.438 1.140
86 HZ1 LYS 10 HZ1 LYS 10 -1.245 5.920 3.689
87 HZ2 LYS 10 HZ2 LYS 10 0.091 5.255 2.890
88 HZ3 LYS 10 HZ3 LYS 10 -0.844 6.442 2.130
89 H GLY 11 H GLY 11 -4.269 1.481 -1.945
90 HA2 GLY 11 HA2 GLY 11 -5.665 3.258 -3.675
91 HA3 GLY 11 HA3 GLY 11 -4.722 1.859 -4.169
92 H LEU 12 H LEU 12 -5.968 -0.266 -3.210
93 HA LEU 12 HA LEU 12 -8.549 -0.181 -4.581
94 HB2 LEU 12 HB2 LEU 12 -6.721 -2.422 -3.768
95 HB3 LEU 12 HB3 LEU 12 -8.360 -2.708 -4.348
96 HG LEU 12 HG LEU 12 -6.611 -1.067 -6.080
97 HD11 LEU 12 HD11 LEU 12 -5.005 -2.715 -5.441
98 HD12 LEU 12 HD12 LEU 12 -6.182 -4.013 -5.633
99 HD13 LEU 12 HD13 LEU 12 -5.603 -3.131 -7.046
100 HD21 LEU 12 HD21 LEU 12 -8.466 -1.444 -7.274
101 HD22 LEU 12 HD22 LEU 12 -7.777 -3.040 -7.567
102 HD23 LEU 12 HD23 LEU 12 -8.949 -2.811 -6.270
103 HN1 NH2 13 HN1 NH2 13 -8.615 1.063 -2.137
104 HN2 NH2 13 HN2 NH2 13 -9.521 0.169 -0.999
Start of MODEL 16
1 H1 ILE 1 H ILE 1 6.532 6.761 -0.425
2 HA ILE 1 HA ILE 1 4.811 5.101 -0.344
3 HB ILE 1 HB ILE 1 5.421 5.451 -3.277
4 HG12 ILE 1 HG12 ILE 1 3.931 7.317 -1.418
5 HG13 ILE 1 HG13 ILE 1 5.518 7.622 -2.116
6 HG21 ILE 1 HG21 ILE 1 3.308 4.774 -3.702
7 HG22 ILE 1 HG22 ILE 1 3.498 3.947 -2.156
8 HG23 ILE 1 HG23 ILE 1 2.664 5.499 -2.228
9 HD11 ILE 1 HD11 ILE 1 4.031 8.843 -3.431
10 HD12 ILE 1 HD12 ILE 1 4.373 7.394 -4.378
11 HD13 ILE 1 HD13 ILE 1 2.858 7.527 -3.486
12 H PHE 2 H PHE 2 6.342 3.363 0.497
13 HA PHE 2 HA PHE 2 6.628 1.245 -1.532
14 HB2 PHE 2 HB2 PHE 2 8.389 0.303 0.024
15 HB3 PHE 2 HB3 PHE 2 8.815 1.814 -0.774
16 HD1 PHE 2 HD1 PHE 2 7.523 0.415 2.408
17 HD2 PHE 2 HD2 PHE 2 9.450 3.678 0.471
18 HE1 PHE 2 HE1 PHE 2 7.997 1.431 4.598
19 HE2 PHE 2 HE2 PHE 2 9.929 4.698 2.657
20 HZ PHE 2 HZ PHE 2 9.203 3.574 4.726
21 H GLY 3 H GLY 3 6.821 -0.992 -0.241
22 HA2 GLY 3 HA2 GLY 3 5.853 -2.505 1.237
23 HA3 GLY 3 HA3 GLY 3 4.999 -1.171 2.000
24 H THR 4 H THR 4 4.826 -3.730 -0.267
25 HA THR 4 HA THR 4 2.647 -2.967 -1.836
26 HB THR 4 HB THR 4 2.992 -5.808 -0.929
27 HG1 THR 4 HG1 THR 4 4.578 -4.564 -2.938
28 HG21 THR 4 HG21 THR 4 1.868 -4.371 -3.265
29 HG22 THR 4 HG22 THR 4 2.687 -5.900 -3.589
30 HG23 THR 4 HG23 THR 4 1.322 -5.850 -2.473
31 H ILE 5 H ILE 5 2.721 -4.679 1.276
32 HA ILE 5 HA ILE 5 0.003 -5.180 1.554
33 HB ILE 5 HB ILE 5 1.968 -4.501 3.745
34 HG12 ILE 5 HG12 ILE 5 1.104 -7.228 2.777
35 HG13 ILE 5 HG13 ILE 5 2.558 -6.421 2.200
36 HG21 ILE 5 HG21 ILE 5 0.205 -6.209 4.863
37 HG22 ILE 5 HG22 ILE 5 0.073 -4.453 4.964
38 HG23 ILE 5 HG23 ILE 5 -0.854 -5.339 3.752
39 HD11 ILE 5 HD11 ILE 5 3.328 -6.319 4.578
40 HD12 ILE 5 HD12 ILE 5 1.959 -7.351 4.992
41 HD13 ILE 5 HD13 ILE 5 3.207 -7.940 3.894
42 H LEU 6 H LEU 6 1.861 -2.306 2.485
43 HA LEU 6 HA LEU 6 -0.308 -0.920 3.659
44 HB2 LEU 6 HB2 LEU 6 2.422 -0.225 2.728
45 HB3 LEU 6 HB3 LEU 6 1.279 1.097 2.960
46 HG LEU 6 HG LEU 6 1.747 -0.885 5.154
47 HD11 LEU 6 HD11 LEU 6 3.811 0.619 4.018
48 HD12 LEU 6 HD12 LEU 6 3.333 1.490 5.475
49 HD13 LEU 6 HD13 LEU 6 3.815 -0.204 5.577
50 HD21 LEU 6 HD21 LEU 6 0.175 0.454 6.013
51 HD22 LEU 6 HD22 LEU 6 1.475 1.629 6.208
52 HD23 LEU 6 HD23 LEU 6 0.431 1.697 4.788
53 H GLY 7 H GLY 7 1.225 -0.610 0.454
54 HA2 GLY 7 HA2 GLY 7 -0.466 1.358 -0.573
55 HA3 GLY 7 HA3 GLY 7 0.406 0.178 -1.539
56 H PHE 8 H PHE 8 -0.905 -2.125 -0.378
57 HA PHE 8 HA PHE 8 -3.076 -2.359 -2.138
58 HB2 PHE 8 HB2 PHE 8 -1.658 -4.204 -1.007
59 HB3 PHE 8 HB3 PHE 8 -2.792 -4.053 0.331
60 HD1 PHE 8 HD1 PHE 8 -4.417 -5.658 0.368
61 HD2 PHE 8 HD2 PHE 8 -3.018 -4.238 -3.394
62 HE1 PHE 8 HE1 PHE 8 -5.973 -7.178 -0.781
63 HE2 PHE 8 HE2 PHE 8 -4.575 -5.755 -4.548
64 HZ PHE 8 HZ PHE 8 -6.054 -7.228 -3.241
65 H LEU 9 H LEU 9 -2.987 -1.806 1.367
66 HA LEU 9 HA LEU 9 -5.719 -1.851 1.874
67 HB2 LEU 9 HB2 LEU 9 -3.986 -1.790 3.609
68 HB3 LEU 9 HB3 LEU 9 -3.620 -0.121 3.177
69 HG LEU 9 HG LEU 9 -5.911 0.514 3.887
70 HD11 LEU 9 HD11 LEU 9 -7.121 -1.507 3.615
71 HD12 LEU 9 HD12 LEU 9 -6.031 -2.383 4.690
72 HD13 LEU 9 HD13 LEU 9 -7.108 -1.148 5.341
73 HD21 LEU 9 HD21 LEU 9 -3.704 0.210 5.392
74 HD22 LEU 9 HD22 LEU 9 -5.227 0.846 6.013
75 HD23 LEU 9 HD23 LEU 9 -4.813 -0.851 6.260
76 H LYS 10 H LYS 10 -3.659 0.907 0.987
77 HA LYS 10 HA LYS 10 -5.772 2.802 0.962
78 HB2 LYS 10 HB2 LYS 10 -3.044 2.840 -0.336
79 HB3 LYS 10 HB3 LYS 10 -4.139 4.215 -0.311
80 HG2 LYS 10 HG2 LYS 10 -3.343 2.898 2.246
81 HG3 LYS 10 HG3 LYS 10 -2.250 4.034 1.453
82 HD2 LYS 10 HD2 LYS 10 -4.007 5.741 1.486
83 HD3 LYS 10 HD3 LYS 10 -5.097 4.603 2.281
84 HE2 LYS 10 HE2 LYS 10 -3.585 4.481 4.192
85 HE3 LYS 10 HE3 LYS 10 -2.472 5.590 3.393
86 HZ1 LYS 10 HZ1 LYS 10 -5.231 6.199 4.302
87 HZ2 LYS 10 HZ2 LYS 10 -3.791 6.797 4.960
88 HZ3 LYS 10 HZ3 LYS 10 -4.268 7.260 3.404
89 H GLY 11 H GLY 11 -4.336 0.719 -1.487
90 HA2 GLY 11 HA2 GLY 11 -5.502 -0.089 -3.372
91 HA3 GLY 11 HA3 GLY 11 -6.647 1.233 -3.201
92 H LEU 12 H LEU 12 -4.802 0.136 -5.420
93 HA LEU 12 HA LEU 12 -2.941 2.165 -6.044
94 HB2 LEU 12 HB2 LEU 12 -4.258 -0.032 -7.575
95 HB3 LEU 12 HB3 LEU 12 -3.329 1.191 -8.440
96 HG LEU 12 HG LEU 12 -2.066 -0.263 -6.156
97 HD11 LEU 12 HD11 LEU 12 -1.328 -2.030 -7.646
98 HD12 LEU 12 HD12 LEU 12 -3.088 -2.010 -7.543
99 HD13 LEU 12 HD13 LEU 12 -2.281 -1.345 -8.963
100 HD21 LEU 12 HD21 LEU 12 -0.483 1.164 -6.857
101 HD22 LEU 12 HD22 LEU 12 -0.245 -0.001 -8.160
102 HD23 LEU 12 HD23 LEU 12 -1.260 1.417 -8.420
103 HN1 NH2 13 HN1 NH2 13 -5.977 1.444 -7.774
104 HN2 NH2 13 HN2 NH2 13 -6.392 3.049 -8.179
Start of MODEL 17
1 H1 ILE 1 H ILE 1 9.527 3.990 5.410
2 HA ILE 1 HA ILE 1 7.576 5.373 4.356
3 HB ILE 1 HB ILE 1 9.892 6.130 4.193
4 HG12 ILE 1 HG12 ILE 1 8.717 6.215 1.419
5 HG13 ILE 1 HG13 ILE 1 7.987 7.087 2.763
6 HG21 ILE 1 HG21 ILE 1 10.432 3.761 3.020
7 HG22 ILE 1 HG22 ILE 1 10.390 4.816 1.608
8 HG23 ILE 1 HG23 ILE 1 11.494 5.166 2.938
9 HD11 ILE 1 HD11 ILE 1 9.651 8.624 2.847
10 HD12 ILE 1 HD12 ILE 1 10.878 7.495 2.275
11 HD13 ILE 1 HD13 ILE 1 9.738 8.208 1.135
12 H PHE 2 H PHE 2 8.927 2.547 2.764
13 HA PHE 2 HA PHE 2 6.984 2.826 0.585
14 HB2 PHE 2 HB2 PHE 2 9.379 2.447 0.003
15 HB3 PHE 2 HB3 PHE 2 9.294 0.889 0.817
16 HD1 PHE 2 HD1 PHE 2 7.279 2.761 -1.713
17 HD2 PHE 2 HD2 PHE 2 9.098 -0.915 -0.571
18 HE1 PHE 2 HE1 PHE 2 6.481 1.722 -3.795
19 HE2 PHE 2 HE2 PHE 2 8.303 -1.958 -2.653
20 HZ PHE 2 HZ PHE 2 6.992 -0.640 -4.268
21 H GLY 3 H GLY 3 5.360 2.267 2.343
22 HA2 GLY 3 HA2 GLY 3 5.294 -0.510 3.160
23 HA3 GLY 3 HA3 GLY 3 4.099 0.720 3.540
24 H THR 4 H THR 4 5.157 -1.629 1.175
25 HA THR 4 HA THR 4 3.307 -1.158 -0.853
26 HB THR 4 HB THR 4 3.533 -3.693 -1.272
27 HG1 THR 4 HG1 THR 4 5.689 -3.472 0.550
28 HG21 THR 4 HG21 THR 4 5.837 -1.760 -1.255
29 HG22 THR 4 HG22 THR 4 5.986 -3.382 -1.929
30 HG23 THR 4 HG23 THR 4 4.820 -2.249 -2.612
31 H ILE 5 H ILE 5 3.018 -3.163 2.057
32 HA ILE 5 HA ILE 5 0.529 -4.302 1.534
33 HB ILE 5 HB ILE 5 1.635 -3.500 4.228
34 HG12 ILE 5 HG12 ILE 5 1.808 -6.191 2.870
35 HG13 ILE 5 HG13 ILE 5 3.089 -4.987 2.775
36 HG21 ILE 5 HG21 ILE 5 0.199 -5.534 4.909
37 HG22 ILE 5 HG22 ILE 5 -0.602 -3.990 4.614
38 HG23 ILE 5 HG23 ILE 5 -0.640 -5.252 3.384
39 HD11 ILE 5 HD11 ILE 5 2.135 -6.536 5.147
40 HD12 ILE 5 HD12 ILE 5 3.765 -6.396 4.487
41 HD13 ILE 5 HD13 ILE 5 3.038 -5.032 5.338
42 H LEU 6 H LEU 6 1.358 -1.184 2.966
43 HA LEU 6 HA LEU 6 -1.325 -0.490 3.643
44 HB2 LEU 6 HB2 LEU 6 1.294 0.914 3.550
45 HB3 LEU 6 HB3 LEU 6 -0.172 1.892 3.584
46 HG LEU 6 HG LEU 6 0.325 -0.231 5.645
47 HD11 LEU 6 HD11 LEU 6 1.318 2.614 5.669
48 HD12 LEU 6 HD12 LEU 6 1.242 1.566 7.086
49 HD13 LEU 6 HD13 LEU 6 2.290 1.144 5.733
50 HD21 LEU 6 HD21 LEU 6 -1.609 0.491 6.457
51 HD22 LEU 6 HD22 LEU 6 -0.980 2.135 6.559
52 HD23 LEU 6 HD23 LEU 6 -1.765 1.581 5.080
53 H GLY 7 H GLY 7 0.873 0.602 1.052
54 HA2 GLY 7 HA2 GLY 7 -0.911 2.266 -0.287
55 HA3 GLY 7 HA3 GLY 7 0.435 1.426 -1.044
56 H PHE 8 H PHE 8 -0.465 -1.227 -0.571
57 HA PHE 8 HA PHE 8 -1.997 -1.688 -2.842
58 HB2 PHE 8 HB2 PHE 8 -0.577 -3.368 -1.619
59 HB3 PHE 8 HB3 PHE 8 -1.870 -3.507 -0.433
60 HD1 PHE 8 HD1 PHE 8 -4.043 -4.468 -1.082
61 HD2 PHE 8 HD2 PHE 8 -0.727 -4.409 -3.749
62 HE1 PHE 8 HE1 PHE 8 -5.143 -6.168 -2.480
63 HE2 PHE 8 HE2 PHE 8 -1.821 -6.108 -5.152
64 HZ PHE 8 HZ PHE 8 -4.031 -6.991 -4.518
65 H LEU 9 H LEU 9 -2.987 -1.281 0.515
66 HA LEU 9 HA LEU 9 -5.719 -1.962 0.086
67 HB2 LEU 9 HB2 LEU 9 -4.468 -0.322 2.285
68 HB3 LEU 9 HB3 LEU 9 -6.092 -1.006 2.304
69 HG LEU 9 HG LEU 9 -3.600 -2.691 2.153
70 HD11 LEU 9 HD11 LEU 9 -3.494 -1.424 4.204
71 HD12 LEU 9 HD12 LEU 9 -5.167 -1.834 4.581
72 HD13 LEU 9 HD13 LEU 9 -3.933 -3.094 4.561
73 HD21 LEU 9 HD21 LEU 9 -5.016 -4.381 1.921
74 HD22 LEU 9 HD22 LEU 9 -5.840 -3.920 3.410
75 HD23 LEU 9 HD23 LEU 9 -6.361 -3.241 1.867
76 H LYS 10 H LYS 10 -4.025 1.144 0.471
77 HA LYS 10 HA LYS 10 -6.247 2.809 0.146
78 HB2 LYS 10 HB2 LYS 10 -3.783 3.341 0.842
79 HB3 LYS 10 HB3 LYS 10 -3.541 3.596 -0.882
80 HG2 LYS 10 HG2 LYS 10 -5.813 4.968 0.466
81 HG3 LYS 10 HG3 LYS 10 -4.175 5.581 0.705
82 HD2 LYS 10 HD2 LYS 10 -3.937 6.191 -1.496
83 HD3 LYS 10 HD3 LYS 10 -5.087 4.981 -2.068
84 HE2 LYS 10 HE2 LYS 10 -5.898 7.376 -0.435
85 HE3 LYS 10 HE3 LYS 10 -5.840 7.394 -2.198
86 HZ1 LYS 10 HZ1 LYS 10 -7.411 5.393 -0.680
87 HZ2 LYS 10 HZ2 LYS 10 -8.059 6.880 -1.162
88 HZ3 LYS 10 HZ3 LYS 10 -7.520 5.775 -2.325
89 H GLY 11 H GLY 11 -4.096 1.333 -2.231
90 HA2 GLY 11 HA2 GLY 11 -6.072 1.959 -4.303
91 HA3 GLY 11 HA3 GLY 11 -4.415 2.481 -4.562
92 H LEU 12 H LEU 12 -6.514 0.207 -5.451
93 HA LEU 12 HA LEU 12 -4.772 -2.105 -5.276
94 HB2 LEU 12 HB2 LEU 12 -6.561 -3.310 -6.357
95 HB3 LEU 12 HB3 LEU 12 -7.197 -2.351 -5.022
96 HG LEU 12 HG LEU 12 -7.681 -0.634 -6.992
97 HD11 LEU 12 HD11 LEU 12 -7.811 -1.460 -9.074
98 HD12 LEU 12 HD12 LEU 12 -6.663 -2.658 -8.475
99 HD13 LEU 12 HD13 LEU 12 -8.386 -3.034 -8.525
100 HD21 LEU 12 HD21 LEU 12 -9.570 -2.928 -6.807
101 HD22 LEU 12 HD22 LEU 12 -9.203 -2.009 -5.346
102 HD23 LEU 12 HD23 LEU 12 -9.888 -1.194 -6.752
103 HN1 NH2 13 HN1 NH2 13 -5.871 0.209 -7.687
104 HN2 NH2 13 HN2 NH2 13 -4.843 -0.262 -8.967
Start of MODEL 18
1 H1 ILE 1 H ILE 1 10.286 5.026 -0.060
2 HA ILE 1 HA ILE 1 10.744 3.559 2.160
3 HB ILE 1 HB ILE 1 10.052 5.479 3.534
4 HG12 ILE 1 HG12 ILE 1 9.367 7.483 1.806
5 HG13 ILE 1 HG13 ILE 1 8.527 6.109 1.095
6 HG21 ILE 1 HG21 ILE 1 12.152 5.353 1.936
7 HG22 ILE 1 HG22 ILE 1 11.351 6.726 1.170
8 HG23 ILE 1 HG23 ILE 1 11.793 6.802 2.876
9 HD11 ILE 1 HD11 ILE 1 8.134 6.153 3.936
10 HD12 ILE 1 HD12 ILE 1 7.690 7.703 3.222
11 HD13 ILE 1 HD13 ILE 1 6.946 6.216 2.634
12 H PHE 2 H PHE 2 7.589 4.414 0.872
13 HA PHE 2 HA PHE 2 6.016 3.641 3.062
14 HB2 PHE 2 HB2 PHE 2 4.159 3.582 1.515
15 HB3 PHE 2 HB3 PHE 2 5.197 4.942 1.100
16 HD1 PHE 2 HD1 PHE 2 4.072 1.601 0.093
17 HD2 PHE 2 HD2 PHE 2 6.400 5.003 -0.968
18 HE1 PHE 2 HE1 PHE 2 4.233 0.767 -2.216
19 HE2 PHE 2 HE2 PHE 2 6.563 4.175 -3.279
20 HZ PHE 2 HZ PHE 2 5.480 2.054 -3.906
21 H GLY 3 H GLY 3 4.528 1.739 3.099
22 HA2 GLY 3 HA2 GLY 3 6.056 -0.676 2.395
23 HA3 GLY 3 HA3 GLY 3 4.863 -0.567 3.681
24 H THR 4 H THR 4 5.334 -2.068 0.926
25 HA THR 4 HA THR 4 3.203 -1.561 -0.767
26 HB THR 4 HB THR 4 4.932 -3.098 -1.437
27 HG1 THR 4 HG1 THR 4 3.089 -3.609 -2.506
28 HG21 THR 4 HG21 THR 4 5.348 -4.039 0.835
29 HG22 THR 4 HG22 THR 4 3.892 -5.015 0.650
30 HG23 THR 4 HG23 THR 4 5.261 -5.260 -0.434
31 H ILE 5 H ILE 5 3.292 -3.408 2.225
32 HA ILE 5 HA ILE 5 0.828 -4.698 2.057
33 HB ILE 5 HB ILE 5 2.141 -3.603 4.548
34 HG12 ILE 5 HG12 ILE 5 3.641 -5.070 3.279
35 HG13 ILE 5 HG13 ILE 5 3.118 -5.848 4.768
36 HG21 ILE 5 HG21 ILE 5 -0.240 -5.267 4.065
37 HG22 ILE 5 HG22 ILE 5 0.852 -5.842 5.324
38 HG23 ILE 5 HG23 ILE 5 0.162 -4.223 5.429
39 HD11 ILE 5 HD11 ILE 5 2.053 -6.383 2.007
40 HD12 ILE 5 HD12 ILE 5 3.115 -7.428 2.950
41 HD13 ILE 5 HD13 ILE 5 1.463 -7.131 3.490
42 H LEU 6 H LEU 6 1.626 -1.429 3.128
43 HA LEU 6 HA LEU 6 -1.092 -0.834 3.884
44 HB2 LEU 6 HB2 LEU 6 1.297 0.972 3.545
45 HB3 LEU 6 HB3 LEU 6 -0.248 1.445 4.246
46 HG LEU 6 HG LEU 6 0.271 -0.483 5.941
47 HD11 LEU 6 HD11 LEU 6 2.702 -0.324 4.398
48 HD12 LEU 6 HD12 LEU 6 3.002 0.026 6.101
49 HD13 LEU 6 HD13 LEU 6 2.226 -1.488 5.635
50 HD21 LEU 6 HD21 LEU 6 0.896 1.127 7.447
51 HD22 LEU 6 HD22 LEU 6 1.984 1.925 6.311
52 HD23 LEU 6 HD23 LEU 6 0.240 2.136 6.157
53 H GLY 7 H GLY 7 1.119 0.296 1.322
54 HA2 GLY 7 HA2 GLY 7 -0.626 1.954 -0.045
55 HA3 GLY 7 HA3 GLY 7 0.688 1.063 -0.800
56 H PHE 8 H PHE 8 -0.312 -1.555 -0.249
57 HA PHE 8 HA PHE 8 -1.818 -2.051 -2.514
58 HB2 PHE 8 HB2 PHE 8 -0.618 -3.826 -1.381
59 HB3 PHE 8 HB3 PHE 8 -1.642 -3.659 0.041
60 HD1 PHE 8 HD1 PHE 8 -3.104 -5.395 0.311
61 HD2 PHE 8 HD2 PHE 8 -2.216 -4.052 -3.629
62 HE1 PHE 8 HE1 PHE 8 -4.649 -7.075 -0.606
63 HE2 PHE 8 HE2 PHE 8 -3.761 -5.729 -4.553
64 HZ PHE 8 HZ PHE 8 -4.979 -7.244 -3.042
65 H LEU 9 H LEU 9 -2.946 -1.697 0.837
66 HA LEU 9 HA LEU 9 -5.675 -2.123 0.299
67 HB2 LEU 9 HB2 LEU 9 -4.095 -0.956 2.520
68 HB3 LEU 9 HB3 LEU 9 -5.817 -0.578 2.464
69 HG LEU 9 HG LEU 9 -5.400 -2.452 3.944
70 HD11 LEU 9 HD11 LEU 9 -7.365 -3.256 3.314
71 HD12 LEU 9 HD12 LEU 9 -7.187 -2.443 1.758
72 HD13 LEU 9 HD13 LEU 9 -6.612 -4.098 1.959
73 HD21 LEU 9 HD21 LEU 9 -4.580 -4.601 2.986
74 HD22 LEU 9 HD22 LEU 9 -4.147 -3.727 1.516
75 HD23 LEU 9 HD23 LEU 9 -3.361 -3.328 3.043
76 H LYS 10 H LYS 10 -3.811 0.886 0.641
77 HA LYS 10 HA LYS 10 -5.905 2.680 0.211
78 HB2 LYS 10 HB2 LYS 10 -3.482 3.133 0.957
79 HB3 LYS 10 HB3 LYS 10 -3.098 3.173 -0.759
80 HG2 LYS 10 HG2 LYS 10 -5.330 4.866 0.241
81 HG3 LYS 10 HG3 LYS 10 -3.668 5.366 0.565
82 HD2 LYS 10 HD2 LYS 10 -3.400 4.829 -2.019
83 HD3 LYS 10 HD3 LYS 10 -5.132 5.169 -2.016
84 HE2 LYS 10 HE2 LYS 10 -4.716 7.344 -1.003
85 HE3 LYS 10 HE3 LYS 10 -2.988 7.001 -0.943
86 HZ1 LYS 10 HZ1 LYS 10 -2.742 7.532 -3.082
87 HZ2 LYS 10 HZ2 LYS 10 -4.135 6.702 -3.565
88 HZ3 LYS 10 HZ3 LYS 10 -4.256 8.277 -2.959
89 H GLY 11 H GLY 11 -3.898 0.903 -2.068
90 HA2 GLY 11 HA2 GLY 11 -5.186 2.248 -4.327
91 HA3 GLY 11 HA3 GLY 11 -3.815 1.150 -4.418
92 H LEU 12 H LEU 12 -4.621 -0.241 -5.933
93 HA LEU 12 HA LEU 12 -6.662 -2.081 -4.994
94 HB2 LEU 12 HB2 LEU 12 -7.859 -1.969 -7.183
95 HB3 LEU 12 HB3 LEU 12 -8.051 -0.552 -6.153
96 HG LEU 12 HG LEU 12 -6.057 0.353 -7.642
97 HD11 LEU 12 HD11 LEU 12 -6.978 -0.571 -10.038
98 HD12 LEU 12 HD12 LEU 12 -5.507 -1.118 -9.234
99 HD13 LEU 12 HD13 LEU 12 -7.004 -2.030 -9.047
100 HD21 LEU 12 HD21 LEU 12 -8.476 0.531 -9.218
101 HD22 LEU 12 HD22 LEU 12 -8.800 0.749 -7.498
102 HD23 LEU 12 HD23 LEU 12 -7.625 1.781 -8.312
103 HN1 NH2 13 HN1 NH2 13 -6.923 -3.921 -6.646
104 HN2 NH2 13 HN2 NH2 13 -5.512 -4.517 -7.401
Start of MODEL 19
1 H1 ILE 1 H ILE 1 8.813 7.135 1.372
2 HA ILE 1 HA ILE 1 10.057 5.063 -0.169
3 HB ILE 1 HB ILE 1 9.879 3.292 1.532
4 HG12 ILE 1 HG12 ILE 1 9.480 5.556 3.497
5 HG13 ILE 1 HG13 ILE 1 8.209 4.462 2.964
6 HG21 ILE 1 HG21 ILE 1 11.917 3.788 2.684
7 HG22 ILE 1 HG22 ILE 1 12.013 4.498 1.072
8 HG23 ILE 1 HG23 ILE 1 11.676 5.521 2.468
9 HD11 ILE 1 HD11 ILE 1 8.987 3.736 5.092
10 HD12 ILE 1 HD12 ILE 1 9.545 2.578 3.885
11 HD13 ILE 1 HD13 ILE 1 10.665 3.767 4.551
12 H PHE 2 H PHE 2 8.564 3.033 -0.132
13 HA PHE 2 HA PHE 2 5.766 3.957 -0.065
14 HB2 PHE 2 HB2 PHE 2 5.382 2.345 -1.961
15 HB3 PHE 2 HB3 PHE 2 6.394 3.728 -2.363
16 HD1 PHE 2 HD1 PHE 2 6.299 0.115 -1.845
17 HD2 PHE 2 HD2 PHE 2 8.754 3.455 -2.813
18 HE1 PHE 2 HE1 PHE 2 8.055 -1.411 -2.646
19 HE2 PHE 2 HE2 PHE 2 10.513 1.934 -3.617
20 HZ PHE 2 HZ PHE 2 10.165 -0.503 -3.533
21 H GLY 3 H GLY 3 4.229 2.593 0.770
22 HA2 GLY 3 HA2 GLY 3 5.281 0.170 2.086
23 HA3 GLY 3 HA3 GLY 3 3.955 1.143 2.706
24 H THR 4 H THR 4 4.810 -1.557 0.871
25 HA THR 4 HA THR 4 2.604 -1.753 -0.877
26 HB THR 4 HB THR 4 3.130 -4.260 -0.789
27 HG1 THR 4 HG1 THR 4 5.481 -3.404 0.546
28 HG21 THR 4 HG21 THR 4 5.406 -3.863 -1.911
29 HG22 THR 4 HG22 THR 4 3.997 -3.071 -2.615
30 HG23 THR 4 HG23 THR 4 5.111 -2.152 -1.604
31 H ILE 5 H ILE 5 3.115 -2.827 2.446
32 HA ILE 5 HA ILE 5 0.866 -4.421 2.782
33 HB ILE 5 HB ILE 5 0.977 -3.681 5.213
34 HG12 ILE 5 HG12 ILE 5 3.481 -2.274 4.270
35 HG13 ILE 5 HG13 ILE 5 1.982 -1.439 4.661
36 HG21 ILE 5 HG21 ILE 5 2.530 -5.274 5.574
37 HG22 ILE 5 HG22 ILE 5 2.409 -5.498 3.829
38 HG23 ILE 5 HG23 ILE 5 3.710 -4.517 4.504
39 HD11 ILE 5 HD11 ILE 5 2.209 -2.646 6.942
40 HD12 ILE 5 HD12 ILE 5 3.897 -2.835 6.468
41 HD13 ILE 5 HD13 ILE 5 3.193 -1.223 6.602
42 H LEU 6 H LEU 6 1.180 -0.928 2.803
43 HA LEU 6 HA LEU 6 -1.550 -0.531 3.685
44 HB2 LEU 6 HB2 LEU 6 0.414 0.974 4.249
45 HB3 LEU 6 HB3 LEU 6 0.324 1.548 2.586
46 HG LEU 6 HG LEU 6 -2.097 1.699 4.333
47 HD11 LEU 6 HD11 LEU 6 0.297 3.512 4.425
48 HD12 LEU 6 HD12 LEU 6 -1.315 4.040 4.904
49 HD13 LEU 6 HD13 LEU 6 -0.530 2.716 5.763
50 HD21 LEU 6 HD21 LEU 6 -2.856 2.603 2.447
51 HD22 LEU 6 HD22 LEU 6 -1.799 3.976 2.771
52 HD23 LEU 6 HD23 LEU 6 -1.240 2.657 1.742
53 H GLY 7 H GLY 7 0.334 -0.163 0.707
54 HA2 GLY 7 HA2 GLY 7 -1.705 0.947 -0.881
55 HA3 GLY 7 HA3 GLY 7 -0.314 0.057 -1.484
56 H PHE 8 H PHE 8 -0.871 -2.414 -0.190
57 HA PHE 8 HA PHE 8 -2.441 -3.683 -2.090
58 HB2 PHE 8 HB2 PHE 8 -0.853 -4.881 -0.664
59 HB3 PHE 8 HB3 PHE 8 -1.862 -4.568 0.744
60 HD1 PHE 8 HD1 PHE 8 -3.674 -5.967 1.275
61 HD2 PHE 8 HD2 PHE 8 -1.730 -6.347 -2.492
62 HE1 PHE 8 HE1 PHE 8 -4.907 -8.054 0.853
63 HE2 PHE 8 HE2 PHE 8 -2.961 -8.434 -2.920
64 HZ PHE 8 HZ PHE 8 -4.551 -9.291 -1.246
65 H LEU 9 H LEU 9 -3.346 -2.297 1.011
66 HA LEU 9 HA LEU 9 -5.965 -3.355 1.120
67 HB2 LEU 9 HB2 LEU 9 -4.518 -2.190 2.940
68 HB3 LEU 9 HB3 LEU 9 -5.239 -0.710 2.310
69 HG LEU 9 HG LEU 9 -7.471 -1.584 2.853
70 HD11 LEU 9 HD11 LEU 9 -7.129 -3.621 4.611
71 HD12 LEU 9 HD12 LEU 9 -7.605 -3.822 2.924
72 HD13 LEU 9 HD13 LEU 9 -5.916 -4.012 3.393
73 HD21 LEU 9 HD21 LEU 9 -6.831 -0.256 4.580
74 HD22 LEU 9 HD22 LEU 9 -6.915 -1.790 5.448
75 HD23 LEU 9 HD23 LEU 9 -5.358 -1.175 4.890
76 H LYS 10 H LYS 10 -4.696 -0.249 -0.041
77 HA LYS 10 HA LYS 10 -7.167 0.879 -0.761
78 HB2 LYS 10 HB2 LYS 10 -4.316 1.394 -1.452
79 HB3 LYS 10 HB3 LYS 10 -5.549 2.124 -2.472
80 HG2 LYS 10 HG2 LYS 10 -6.471 3.323 -0.636
81 HG3 LYS 10 HG3 LYS 10 -5.474 2.436 0.519
82 HD2 LYS 10 HD2 LYS 10 -3.478 3.467 -0.317
83 HD3 LYS 10 HD3 LYS 10 -4.362 4.209 -1.653
84 HE2 LYS 10 HE2 LYS 10 -3.965 5.875 0.030
85 HE3 LYS 10 HE3 LYS 10 -5.685 5.493 0.010
86 HZ1 LYS 10 HZ1 LYS 10 -5.163 5.506 2.248
87 HZ2 LYS 10 HZ2 LYS 10 -5.075 3.858 1.873
88 HZ3 LYS 10 HZ3 LYS 10 -3.657 4.769 2.023
89 H GLY 11 H GLY 11 -4.915 -1.186 -2.528
90 HA2 GLY 11 HA2 GLY 11 -5.753 -2.752 -4.150
91 HA3 GLY 11 HA3 GLY 11 -7.025 -1.604 -4.540
92 H LEU 12 H LEU 12 -5.644 0.715 -4.942
93 HA LEU 12 HA LEU 12 -4.354 0.150 -7.476
94 HB2 LEU 12 HB2 LEU 12 -5.376 2.606 -6.116
95 HB3 LEU 12 HB3 LEU 12 -4.257 2.755 -7.469
96 HG LEU 12 HG LEU 12 -6.916 1.338 -7.605
97 HD11 LEU 12 HD11 LEU 12 -7.883 3.243 -8.485
98 HD12 LEU 12 HD12 LEU 12 -6.877 3.897 -7.194
99 HD13 LEU 12 HD13 LEU 12 -6.329 3.984 -8.867
100 HD21 LEU 12 HD21 LEU 12 -4.675 1.779 -9.485
101 HD22 LEU 12 HD22 LEU 12 -5.825 0.447 -9.379
102 HD23 LEU 12 HD23 LEU 12 -6.306 1.969 -10.129
103 HN1 NH2 13 HN1 NH2 13 -3.514 2.516 -4.950
104 HN2 NH2 13 HN2 NH2 13 -1.829 2.242 -4.932
Start of MODEL 20
1 H1 ILE 1 H ILE 1 6.366 5.969 -3.036
2 HA ILE 1 HA ILE 1 5.865 5.770 -0.196
3 HB ILE 1 HB ILE 1 4.223 4.705 -2.497
4 HG12 ILE 1 HG12 ILE 1 3.968 7.290 -0.945
5 HG13 ILE 1 HG13 ILE 1 4.500 7.143 -2.615
6 HG21 ILE 1 HG21 ILE 1 2.401 4.617 -0.882
7 HG22 ILE 1 HG22 ILE 1 3.754 3.615 -0.357
8 HG23 ILE 1 HG23 ILE 1 3.484 5.192 0.386
9 HD11 ILE 1 HD11 ILE 1 1.830 7.254 -1.527
10 HD12 ILE 1 HD12 ILE 1 2.386 7.467 -3.187
11 HD13 ILE 1 HD13 ILE 1 2.057 5.848 -2.568
12 H PHE 2 H PHE 2 6.962 4.242 0.868
13 HA PHE 2 HA PHE 2 7.359 1.623 -0.381
14 HB2 PHE 2 HB2 PHE 2 9.336 2.744 0.581
15 HB3 PHE 2 HB3 PHE 2 8.551 2.758 2.157
16 HD1 PHE 2 HD1 PHE 2 10.100 0.639 -0.410
17 HD2 PHE 2 HD2 PHE 2 8.455 0.796 3.512
18 HE1 PHE 2 HE1 PHE 2 11.041 -1.584 0.069
19 HE2 PHE 2 HE2 PHE 2 9.394 -1.427 3.998
20 HZ PHE 2 HZ PHE 2 10.690 -2.619 2.276
21 H GLY 3 H GLY 3 6.235 -0.119 0.216
22 HA2 GLY 3 HA2 GLY 3 5.460 -1.248 2.411
23 HA3 GLY 3 HA3 GLY 3 4.409 0.158 2.506
24 H THR 4 H THR 4 5.040 -2.856 0.888
25 HA THR 4 HA THR 4 3.160 -2.718 -1.173
26 HB THR 4 HB THR 4 3.083 -5.262 -0.931
27 HG1 THR 4 HG1 THR 4 5.032 -5.898 0.433
28 HG21 THR 4 HG21 THR 4 5.403 -3.552 -1.570
29 HG22 THR 4 HG22 THR 4 5.747 -5.268 -1.354
30 HG23 THR 4 HG23 THR 4 4.570 -4.749 -2.561
31 H ILE 5 H ILE 5 2.791 -4.167 2.066
32 HA ILE 5 HA ILE 5 0.108 -4.857 1.869
33 HB ILE 5 HB ILE 5 0.080 -4.583 4.399
34 HG12 ILE 5 HG12 ILE 5 3.030 -4.066 3.990
35 HG13 ILE 5 HG13 ILE 5 1.866 -2.810 4.394
36 HG21 ILE 5 HG21 ILE 5 2.315 -6.295 4.232
37 HG22 ILE 5 HG22 ILE 5 0.607 -6.733 4.255
38 HG23 ILE 5 HG23 ILE 5 1.426 -6.455 2.717
39 HD11 ILE 5 HD11 ILE 5 1.700 -5.059 6.204
40 HD12 ILE 5 HD12 ILE 5 3.314 -4.350 6.164
41 HD13 ILE 5 HD13 ILE 5 1.918 -3.342 6.545
42 H LEU 6 H LEU 6 1.594 -1.768 2.607
43 HA LEU 6 HA LEU 6 -0.744 -0.462 3.531
44 HB2 LEU 6 HB2 LEU 6 1.935 0.396 2.563
45 HB3 LEU 6 HB3 LEU 6 0.657 1.603 2.665
46 HG LEU 6 HG LEU 6 1.345 -0.101 5.032
47 HD11 LEU 6 HD11 LEU 6 2.664 2.517 4.334
48 HD12 LEU 6 HD12 LEU 6 2.941 1.534 5.772
49 HD13 LEU 6 HD13 LEU 6 3.431 0.937 4.186
50 HD21 LEU 6 HD21 LEU 6 -0.336 2.209 4.445
51 HD22 LEU 6 HD22 LEU 6 -0.406 1.065 5.785
52 HD23 LEU 6 HD23 LEU 6 0.702 2.437 5.852
53 H GLY 7 H GLY 7 0.894 -0.414 0.363
54 HA2 GLY 7 HA2 GLY 7 -1.070 1.179 -0.912
55 HA3 GLY 7 HA3 GLY 7 0.133 0.185 -1.719
56 H PHE 8 H PHE 8 -0.679 -2.310 -0.576
57 HA PHE 8 HA PHE 8 -2.679 -3.044 -2.434
58 HB2 PHE 8 HB2 PHE 8 -1.208 -4.413 -0.234
59 HB3 PHE 8 HB3 PHE 8 -2.683 -5.169 -0.827
60 HD1 PHE 8 HD1 PHE 8 -2.134 -6.955 -2.160
61 HD2 PHE 8 HD2 PHE 8 0.077 -3.338 -2.542
62 HE1 PHE 8 HE1 PHE 8 -0.879 -7.925 -4.041
63 HE2 PHE 8 HE2 PHE 8 1.335 -4.301 -4.424
64 HZ PHE 8 HZ PHE 8 0.859 -6.597 -5.175
65 H LEU 9 H LEU 9 -2.748 -2.462 1.053
66 HA LEU 9 HA LEU 9 -5.306 -3.311 1.652
67 HB2 LEU 9 HB2 LEU 9 -3.822 -2.625 3.389
68 HB3 LEU 9 HB3 LEU 9 -3.722 -0.992 2.736
69 HG LEU 9 HG LEU 9 -6.107 -0.660 3.331
70 HD11 LEU 9 HD11 LEU 9 -6.519 -2.614 5.265
71 HD12 LEU 9 HD12 LEU 9 -7.349 -2.460 3.717
72 HD13 LEU 9 HD13 LEU 9 -5.925 -3.492 3.855
73 HD21 LEU 9 HD21 LEU 9 -4.315 -1.478 5.615
74 HD22 LEU 9 HD22 LEU 9 -4.317 0.093 4.815
75 HD23 LEU 9 HD23 LEU 9 -5.731 -0.433 5.729
76 H LYS 10 H LYS 10 -4.323 -0.026 0.673
77 HA LYS 10 HA LYS 10 -6.989 0.942 0.479
78 HB2 LYS 10 HB2 LYS 10 -5.985 2.902 -0.596
79 HB3 LYS 10 HB3 LYS 10 -5.094 2.445 0.851
80 HG2 LYS 10 HG2 LYS 10 -3.434 1.302 -0.581
81 HG3 LYS 10 HG3 LYS 10 -4.301 1.893 -2.001
82 HD2 LYS 10 HD2 LYS 10 -3.993 4.217 -0.775
83 HD3 LYS 10 HD3 LYS 10 -2.631 3.375 -0.033
84 HE2 LYS 10 HE2 LYS 10 -1.484 3.216 -1.999
85 HE3 LYS 10 HE3 LYS 10 -2.951 3.159 -2.976
86 HZ1 LYS 10 HZ1 LYS 10 -1.429 5.268 -2.954
87 HZ2 LYS 10 HZ2 LYS 10 -3.113 5.419 -3.033
88 HZ3 LYS 10 HZ3 LYS 10 -2.311 5.645 -1.559
89 H GLY 11 H GLY 11 -4.699 -0.419 -1.833
90 HA2 GLY 11 HA2 GLY 11 -4.992 -1.209 -3.967
91 HA3 GLY 11 HA3 GLY 11 -6.696 -1.361 -3.567
92 H LEU 12 H LEU 12 -4.272 1.071 -4.494
93 HA LEU 12 HA LEU 12 -6.254 2.244 -6.303
94 HB2 LEU 12 HB2 LEU 12 -4.663 3.724 -4.222
95 HB3 LEU 12 HB3 LEU 12 -5.400 4.523 -5.609
96 HG LEU 12 HG LEU 12 -6.944 2.968 -3.537
97 HD11 LEU 12 HD11 LEU 12 -6.563 4.698 -2.186
98 HD12 LEU 12 HD12 LEU 12 -5.851 5.662 -3.481
99 HD13 LEU 12 HD13 LEU 12 -7.601 5.626 -3.269
100 HD21 LEU 12 HD21 LEU 12 -7.661 4.574 -5.950
101 HD22 LEU 12 HD22 LEU 12 -8.298 3.024 -5.400
102 HD23 LEU 12 HD23 LEU 12 -8.768 4.513 -4.579
103 HN1 NH2 13 HN1 NH2 13 -5.352 3.438 -8.052
104 HN2 NH2 13 HN2 NH2 13 -3.738 3.241 -8.573