Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
629187 | 6gs5 RC | 34283 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 13.137 11.856 0.315
2 H2 PHE 1 HT2 PHE 1 12.012 11.482 1.532
3 H3 PHE 1 HT3 PHE 1 11.689 12.731 0.427
4 HA PHE 1 HA PHE 1 10.513 10.510 0.040
5 HB2 PHE 1 HB2 PHE 1 11.235 12.638 -1.477
6 HB3 PHE 1 HB1 PHE 1 12.062 11.351 -2.355
7 HD1 PHE 1 HD1 PHE 1 8.834 12.800 -1.453
8 HD2 PHE 1 HD2 PHE 1 10.773 9.422 -3.265
9 HE1 PHE 1 HE1 PHE 1 6.680 12.109 -2.468
10 HE2 PHE 1 HE2 PHE 1 8.619 8.731 -4.280
11 HZ PHE 1 HZ PHE 1 6.572 10.074 -3.882
12 H VAL 2 HN VAL 2 10.892 8.334 -0.207
13 HA VAL 2 HA VAL 2 13.581 7.447 -1.173
14 HB VAL 2 HB VAL 2 12.725 5.667 0.853
15 HG11 VAL 2 HG11 VAL 2 14.745 7.908 1.118
16 HG12 VAL 2 HG12 VAL 2 15.053 6.440 0.191
17 HG13 VAL 2 HG13 VAL 2 14.766 6.342 1.928
18 HG21 VAL 2 HG21 VAL 2 12.399 7.138 2.777
19 HG22 VAL 2 HG22 VAL 2 11.166 7.483 1.563
20 HG23 VAL 2 HG23 VAL 2 12.550 8.561 1.746
21 H GLN 3 HN GLN 3 13.213 6.094 -2.888
22 HA GLN 3 HA GLN 3 10.654 4.534 -2.941
23 HB2 GLN 3 HB2 GLN 3 10.684 4.841 -5.261
24 HB3 GLN 3 HB1 GLN 3 11.411 6.344 -4.697
25 HG2 GLN 3 HG2 GLN 3 13.670 5.298 -4.995
26 HG3 GLN 3 HG1 GLN 3 12.881 3.885 -5.696
27 HE21 GLN 3 HE21 GLN 3 14.246 4.592 -7.674
28 HE22 GLN 3 HE22 GLN 3 13.566 5.748 -8.715
29 H TRP 4 HN TRP 4 14.169 4.341 -3.394
30 HA TRP 4 HA TRP 4 14.113 1.475 -4.024
31 HB2 TRP 4 HB2 TRP 4 15.881 3.690 -4.215
32 HB3 TRP 4 HB1 TRP 4 16.674 2.501 -3.182
33 HD1 TRP 4 HD1 TRP 4 15.701 3.175 -6.743
34 HE1 TRP 4 HE1 TRP 4 16.478 1.225 -8.240
35 HE3 TRP 4 HE3 TRP 4 17.059 -0.200 -3.159
36 HZ2 TRP 4 HZ2 TRP 4 17.538 -1.418 -7.953
37 HZ3 TRP 4 HZ3 TRP 4 17.949 -2.422 -3.797
38 HH2 TRP 4 HH2 TRP 4 18.190 -3.036 -6.187
39 H PHE 5 HN PHE 5 14.741 3.536 -1.215
40 HA PHE 5 HA PHE 5 15.653 1.370 0.508
41 HB2 PHE 5 HB2 PHE 5 15.975 3.993 0.551
42 HB3 PHE 5 HB1 PHE 5 14.462 3.965 1.456
43 HD1 PHE 5 HD1 PHE 5 14.711 3.966 3.766
44 HD2 PHE 5 HD2 PHE 5 17.625 1.933 1.352
45 HE1 PHE 5 HE1 PHE 5 15.951 3.313 5.812
46 HE2 PHE 5 HE2 PHE 5 18.865 1.280 3.398
47 HZ PHE 5 HZ PHE 5 18.027 1.970 5.628
48 H SER 6 HN SER 6 12.554 2.709 -0.415
49 HA SER 6 HA SER 6 11.141 1.409 1.842
50 HB2 SER 6 HB2 SER 6 10.696 3.508 -0.135
51 HB3 SER 6 HB1 SER 6 9.312 2.420 -0.022
52 HG SER 6 HG SER 6 9.286 4.180 1.498
53 H LYS 7 HN LYS 7 11.857 0.884 -1.546
54 HA LYS 7 HA LYS 7 9.801 -0.998 -2.195
55 HB2 LYS 7 HB2 LYS 7 12.513 -0.213 -3.159
56 HB3 LYS 7 HB1 LYS 7 11.867 -1.745 -3.746
57 HG2 LYS 7 HG2 LYS 7 9.872 0.390 -3.804
58 HG3 LYS 7 HG1 LYS 7 11.287 0.772 -4.784
59 HD2 LYS 7 HD2 LYS 7 10.581 -1.987 -5.189
60 HD3 LYS 7 HD1 LYS 7 9.152 -0.984 -5.437
61 HE2 LYS 7 HE2 LYS 7 11.847 -0.403 -6.717
62 HE3 LYS 7 HE1 LYS 7 10.533 -1.276 -7.529
63 HZ1 LYS 7 HZ1 LYS 7 9.194 0.784 -6.532
64 HZ2 LYS 7 HZ2 LYS 7 9.908 0.824 -8.073
65 HZ3 LYS 7 HZ3 LYS 7 10.700 1.534 -6.749
66 H PHE 8 HN PHE 8 12.692 -1.277 -0.263
67 HA PHE 8 HA PHE 8 12.393 -4.257 -0.203
68 HB2 PHE 8 HB2 PHE 8 14.572 -2.452 -0.542
69 HB3 PHE 8 HB1 PHE 8 14.794 -3.252 1.011
70 HD1 PHE 8 HD1 PHE 8 14.939 -3.609 -2.583
71 HD2 PHE 8 HD2 PHE 8 14.697 -5.798 1.105
72 HE1 PHE 8 HE1 PHE 8 15.696 -5.661 -3.751
73 HE2 PHE 8 HE2 PHE 8 15.454 -7.850 -0.063
74 HZ PHE 8 HZ PHE 8 15.953 -7.782 -2.492
75 H LEU 9 HN LEU 9 12.606 -1.316 1.746
76 HA LEU 9 HA LEU 9 12.378 -2.839 4.277
77 HB2 LEU 9 HB2 LEU 9 12.444 0.143 3.725
78 HB3 LEU 9 HB1 LEU 9 12.775 -0.654 5.260
79 HG LEU 9 HG LEU 9 14.386 -1.036 2.723
80 HD11 LEU 9 HD11 LEU 9 15.294 0.329 5.258
81 HD12 LEU 9 HD12 LEU 9 14.504 1.233 3.965
82 HD13 LEU 9 HD13 LEU 9 16.025 0.395 3.654
83 HD21 LEU 9 HD21 LEU 9 15.976 -1.972 4.633
84 HD22 LEU 9 HD22 LEU 9 14.740 -3.000 3.909
85 HD23 LEU 9 HD23 LEU 9 14.446 -2.233 5.470
86 H GLY 10 HN GLY 10 10.559 -0.338 2.473
87 HA2 GLY 10 HA2 GLY 10 8.345 -0.065 4.167
88 HA3 GLY 10 HA1 GLY 10 8.242 0.078 2.412
89 H ARG 11 HN ARG 11 9.235 -2.744 2.119
90 HA ARG 11 HA ARG 11 6.656 -4.061 2.099
91 HB2 ARG 11 HB2 ARG 11 7.798 -5.629 0.859
92 HB3 ARG 11 HB1 ARG 11 8.902 -4.266 0.690
93 HG2 ARG 11 HG2 ARG 11 10.171 -5.115 2.668
94 HG3 ARG 11 HG1 ARG 11 9.126 -6.538 2.680
95 HD2 ARG 11 HD2 ARG 11 10.066 -6.094 0.005
96 HD3 ARG 11 HD1 ARG 11 11.458 -6.135 1.106
97 HE ARG 11 HE ARG 11 9.657 -8.368 0.534
98 HH11 ARG 11 HH11 ARG 11 10.088 -10.294 1.606
99 HH12 ARG 11 HH12 ARG 11 11.144 -10.297 2.980
100 HH21 ARG 11 HH21 ARG 11 11.759 -6.892 2.876
101 HH22 ARG 11 HH22 ARG 11 12.082 -8.382 3.691
102 H ILE 12 HN ILE 12 9.301 -3.878 4.371
103 HA ILE 12 HA ILE 12 8.195 -6.142 5.976
104 HB ILE 12 HB ILE 12 10.625 -4.574 6.743
105 HG12 ILE 12 HG12 ILE 12 10.384 -6.298 4.278
106 HG13 ILE 12 HG11 ILE 12 11.063 -4.677 4.410
107 HG21 ILE 12 HG21 ILE 12 9.693 -6.645 7.922
108 HG22 ILE 12 HG22 ILE 12 11.401 -6.702 7.490
109 HG23 ILE 12 HG23 ILE 12 10.214 -7.560 6.508
110 HD11 ILE 12 HD11 ILE 12 12.925 -6.185 4.277
111 HD12 ILE 12 HD12 ILE 12 12.221 -7.257 5.488
112 HD13 ILE 12 HD13 ILE 12 12.820 -5.666 5.959
113 H LEU 13 HN LEU 13 8.740 -2.666 5.981
114 HA LEU 13 HA LEU 13 8.002 -2.262 8.764
115 HB2 LEU 13 HB2 LEU 13 8.652 -0.664 6.308
116 HB3 LEU 13 HB1 LEU 13 8.032 0.143 7.733
117 HG LEU 13 HG LEU 13 9.902 -1.356 8.912
118 HD11 LEU 13 HD11 LEU 13 11.891 -1.522 7.475
119 HD12 LEU 13 HD12 LEU 13 10.978 -0.858 6.121
120 HD13 LEU 13 HD13 LEU 13 10.553 -2.438 6.779
121 HD21 LEU 13 HD21 LEU 13 11.369 0.588 8.850
122 HD22 LEU 13 HD22 LEU 13 9.696 1.142 8.928
123 HD23 LEU 13 HD23 LEU 13 10.568 1.183 7.396
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 12.203 10.728 1.304
2 H2 PHE 1 HT2 PHE 1 11.174 12.028 0.930
3 H3 PHE 1 HT3 PHE 1 12.776 12.018 0.364
4 HA PHE 1 HA PHE 1 10.481 10.398 -0.566
5 HB2 PHE 1 HB2 PHE 1 12.229 12.591 -1.427
6 HB3 PHE 1 HB1 PHE 1 12.092 11.314 -2.637
7 HD1 PHE 1 HD1 PHE 1 9.572 12.415 -0.108
8 HD2 PHE 1 HD2 PHE 1 10.639 12.222 -4.264
9 HE1 PHE 1 HE1 PHE 1 7.317 13.241 -0.725
10 HE2 PHE 1 HE2 PHE 1 8.384 13.047 -4.882
11 HZ PHE 1 HZ PHE 1 6.723 13.556 -3.113
12 H VAL 2 HN VAL 2 11.122 8.244 -0.166
13 HA VAL 2 HA VAL 2 13.672 7.397 -1.495
14 HB VAL 2 HB VAL 2 13.144 5.685 0.696
15 HG11 VAL 2 HG11 VAL 2 15.380 6.110 0.088
16 HG12 VAL 2 HG12 VAL 2 15.207 6.984 1.610
17 HG13 VAL 2 HG13 VAL 2 15.141 7.857 0.078
18 HG21 VAL 2 HG21 VAL 2 12.965 8.615 1.465
19 HG22 VAL 2 HG22 VAL 2 13.041 7.252 2.581
20 HG23 VAL 2 HG23 VAL 2 11.631 7.465 1.544
21 H GLN 3 HN GLN 3 13.034 6.086 -3.163
22 HA GLN 3 HA GLN 3 10.567 4.436 -2.844
23 HB2 GLN 3 HB2 GLN 3 10.473 4.505 -5.204
24 HB3 GLN 3 HB1 GLN 3 11.104 6.095 -4.775
25 HG2 GLN 3 HG2 GLN 3 13.430 5.155 -5.082
26 HG3 GLN 3 HG1 GLN 3 12.687 3.690 -5.723
27 HE21 GLN 3 HE21 GLN 3 10.468 5.185 -7.052
28 HE22 GLN 3 HE22 GLN 3 11.166 5.955 -8.394
29 H TRP 4 HN TRP 4 14.041 4.221 -3.492
30 HA TRP 4 HA TRP 4 13.980 1.324 -3.947
31 HB2 TRP 4 HB2 TRP 4 15.787 3.582 -4.177
32 HB3 TRP 4 HB1 TRP 4 16.590 2.230 -3.376
33 HD1 TRP 4 HD1 TRP 4 15.865 3.497 -6.706
34 HE1 TRP 4 HE1 TRP 4 16.130 1.656 -8.492
35 HE3 TRP 4 HE3 TRP 4 16.006 -0.630 -3.702
36 HZ2 TRP 4 HZ2 TRP 4 16.371 -1.192 -8.627
37 HZ3 TRP 4 HZ3 TRP 4 16.254 -2.891 -4.684
38 HH2 TRP 4 HH2 TRP 4 16.436 -3.177 -7.139
39 H PHE 5 HN PHE 5 14.718 3.542 -1.285
40 HA PHE 5 HA PHE 5 15.737 1.465 0.493
41 HB2 PHE 5 HB2 PHE 5 16.101 4.066 0.393
42 HB3 PHE 5 HB1 PHE 5 14.617 4.128 1.345
43 HD1 PHE 5 HD1 PHE 5 17.870 2.252 1.238
44 HD2 PHE 5 HD2 PHE 5 14.801 4.025 3.664
45 HE1 PHE 5 HE1 PHE 5 19.159 1.686 3.280
46 HE2 PHE 5 HE2 PHE 5 16.090 3.459 5.707
47 HZ PHE 5 HZ PHE 5 18.268 2.290 5.514
48 H SER 6 HN SER 6 12.598 2.769 -0.324
49 HA SER 6 HA SER 6 11.316 1.564 2.068
50 HB2 SER 6 HB2 SER 6 10.861 3.868 0.886
51 HB3 SER 6 HB1 SER 6 9.918 2.894 -0.242
52 HG SER 6 HG SER 6 8.481 3.346 1.290
53 H LYS 7 HN LYS 7 11.722 1.020 -1.379
54 HA LYS 7 HA LYS 7 9.605 -0.836 -1.842
55 HB2 LYS 7 HB2 LYS 7 12.150 0.035 -3.043
56 HB3 LYS 7 HB1 LYS 7 11.694 -1.615 -3.462
57 HG2 LYS 7 HG2 LYS 7 9.459 0.300 -3.568
58 HG3 LYS 7 HG1 LYS 7 10.746 0.643 -4.723
59 HD2 LYS 7 HD2 LYS 7 10.544 -2.045 -5.031
60 HD3 LYS 7 HD1 LYS 7 8.877 -1.659 -4.599
61 HE2 LYS 7 HE2 LYS 7 8.795 0.032 -6.405
62 HE3 LYS 7 HE1 LYS 7 10.471 -0.354 -6.839
63 HZ1 LYS 7 HZ1 LYS 7 9.181 -2.776 -6.606
64 HZ2 LYS 7 HZ2 LYS 7 9.653 -2.020 -8.053
65 HZ3 LYS 7 HZ3 LYS 7 8.084 -1.792 -7.445
66 H PHE 8 HN PHE 8 12.697 -1.172 -0.228
67 HA PHE 8 HA PHE 8 12.370 -4.140 -0.114
68 HB2 PHE 8 HB2 PHE 8 14.521 -2.286 -0.473
69 HB3 PHE 8 HB1 PHE 8 14.800 -3.159 1.030
70 HD1 PHE 8 HD1 PHE 8 14.984 -3.299 -2.541
71 HD2 PHE 8 HD2 PHE 8 14.559 -5.744 0.965
72 HE1 PHE 8 HE1 PHE 8 15.705 -5.284 -3.839
73 HE2 PHE 8 HE2 PHE 8 15.280 -7.730 -0.334
74 HZ PHE 8 HZ PHE 8 15.853 -7.500 -2.736
75 H LEU 9 HN LEU 9 12.580 -1.204 1.817
76 HA LEU 9 HA LEU 9 12.461 -2.715 4.365
77 HB2 LEU 9 HB2 LEU 9 12.474 0.258 3.746
78 HB3 LEU 9 HB1 LEU 9 12.791 -0.483 5.312
79 HG LEU 9 HG LEU 9 14.447 -0.852 2.803
80 HD11 LEU 9 HD11 LEU 9 14.549 0.994 5.094
81 HD12 LEU 9 HD12 LEU 9 15.324 1.119 3.514
82 HD13 LEU 9 HD13 LEU 9 16.070 0.153 4.788
83 HD21 LEU 9 HD21 LEU 9 14.446 -2.891 4.131
84 HD22 LEU 9 HD22 LEU 9 14.733 -1.971 5.608
85 HD23 LEU 9 HD23 LEU 9 15.987 -2.067 4.370
86 H GLY 10 HN GLY 10 10.601 -0.105 2.762
87 HA2 GLY 10 HA2 GLY 10 8.387 -0.077 4.498
88 HA3 GLY 10 HA1 GLY 10 8.287 0.331 2.784
89 H ARG 11 HN ARG 11 9.302 -2.435 2.102
90 HA ARG 11 HA ARG 11 6.721 -3.719 1.847
91 HB2 ARG 11 HB2 ARG 11 7.869 -5.047 0.380
92 HB3 ARG 11 HB1 ARG 11 9.047 -3.743 0.506
93 HG2 ARG 11 HG2 ARG 11 10.215 -4.990 2.295
94 HG3 ARG 11 HG1 ARG 11 9.058 -6.312 2.114
95 HD2 ARG 11 HD2 ARG 11 10.047 -5.608 -0.479
96 HD3 ARG 11 HD1 ARG 11 11.430 -5.879 0.602
97 HE ARG 11 HE ARG 11 9.517 -7.903 -0.255
98 HH11 ARG 11 HH11 ARG 11 9.747 -9.961 0.620
99 HH12 ARG 11 HH12 ARG 11 10.723 -10.188 2.033
100 HH21 ARG 11 HH21 ARG 11 11.588 -6.849 2.328
101 HH22 ARG 11 HH22 ARG 11 11.758 -8.438 2.991
102 H ILE 12 HN ILE 12 9.243 -3.810 4.240
103 HA ILE 12 HA ILE 12 8.063 -6.270 5.475
104 HB ILE 12 HB ILE 12 10.541 -4.991 6.523
105 HG12 ILE 12 HG12 ILE 12 10.349 -6.244 3.779
106 HG13 ILE 12 HG11 ILE 12 10.974 -4.648 4.185
107 HG21 ILE 12 HG21 ILE 12 9.915 -7.841 5.709
108 HG22 ILE 12 HG22 ILE 12 9.568 -7.177 7.306
109 HG23 ILE 12 HG23 ILE 12 11.235 -7.297 6.744
110 HD11 ILE 12 HD11 ILE 12 12.582 -6.118 5.750
111 HD12 ILE 12 HD12 ILE 12 12.977 -5.776 4.066
112 HD13 ILE 12 HD13 ILE 12 12.251 -7.322 4.505
113 H LEU 13 HN LEU 13 8.731 -2.853 5.943
114 HA LEU 13 HA LEU 13 8.007 -2.808 8.761
115 HB2 LEU 13 HB2 LEU 13 8.739 -0.913 6.551
116 HB3 LEU 13 HB1 LEU 13 8.134 -0.285 8.069
117 HG LEU 13 HG LEU 13 9.940 -2.035 9.016
118 HD11 LEU 13 HD11 LEU 13 10.634 -2.769 6.775
119 HD12 LEU 13 HD12 LEU 13 11.962 -1.933 7.581
120 HD13 LEU 13 HD13 LEU 13 11.023 -1.103 6.341
121 HD21 LEU 13 HD21 LEU 13 9.674 0.624 9.094
122 HD22 LEU 13 HD22 LEU 13 11.078 0.542 8.030
123 HD23 LEU 13 HD23 LEU 13 11.151 -0.172 9.641
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 10.037 11.358 -0.449
2 H2 PHE 1 HT2 PHE 1 10.741 10.122 -1.379
3 H3 PHE 1 HT3 PHE 1 11.298 11.720 -1.524
4 HA PHE 1 HA PHE 1 12.532 11.632 0.373
5 HB2 PHE 1 HB2 PHE 1 10.075 10.225 1.174
6 HB3 PHE 1 HB1 PHE 1 11.518 9.646 2.006
7 HD1 PHE 1 HD1 PHE 1 9.506 12.677 1.235
8 HD2 PHE 1 HD2 PHE 1 12.621 10.978 3.654
9 HE1 PHE 1 HE1 PHE 1 9.472 14.685 2.690
10 HE2 PHE 1 HE2 PHE 1 12.589 12.986 5.108
11 HZ PHE 1 HZ PHE 1 11.013 14.840 4.627
12 H VAL 2 HN VAL 2 11.269 8.292 0.095
13 HA VAL 2 HA VAL 2 13.892 7.424 -1.030
14 HB VAL 2 HB VAL 2 13.277 5.507 0.885
15 HG11 VAL 2 HG11 VAL 2 15.485 5.963 1.046
16 HG12 VAL 2 HG12 VAL 2 15.035 7.272 2.139
17 HG13 VAL 2 HG13 VAL 2 15.261 7.598 0.420
18 HG21 VAL 2 HG21 VAL 2 12.884 8.237 2.135
19 HG22 VAL 2 HG22 VAL 2 12.743 6.665 2.922
20 HG23 VAL 2 HG23 VAL 2 11.545 7.164 1.728
21 H GLN 3 HN GLN 3 13.193 6.441 -2.904
22 HA GLN 3 HA GLN 3 10.677 4.845 -2.860
23 HB2 GLN 3 HB2 GLN 3 10.591 5.325 -5.125
24 HB3 GLN 3 HB1 GLN 3 11.557 6.695 -4.582
25 HG2 GLN 3 HG2 GLN 3 13.621 5.324 -5.052
26 HG3 GLN 3 HG1 GLN 3 12.575 4.103 -5.777
27 HE21 GLN 3 HE21 GLN 3 14.624 6.312 -6.835
28 HE22 GLN 3 HE22 GLN 3 13.793 6.950 -8.170
29 H TRP 4 HN TRP 4 14.164 4.550 -3.356
30 HA TRP 4 HA TRP 4 14.026 1.726 -4.148
31 HB2 TRP 4 HB2 TRP 4 15.844 3.891 -4.244
32 HB3 TRP 4 HB1 TRP 4 16.604 2.669 -3.223
33 HD1 TRP 4 HD1 TRP 4 15.473 3.331 -6.780
34 HE1 TRP 4 HE1 TRP 4 16.338 1.442 -8.307
35 HE3 TRP 4 HE3 TRP 4 17.269 0.101 -3.256
36 HZ2 TRP 4 HZ2 TRP 4 17.619 -1.104 -8.064
37 HZ3 TRP 4 HZ3 TRP 4 18.305 -2.047 -3.931
38 HH2 TRP 4 HH2 TRP 4 18.483 -2.653 -6.329
39 H PHE 5 HN PHE 5 14.616 3.612 -1.226
40 HA PHE 5 HA PHE 5 15.505 1.345 0.384
41 HB2 PHE 5 HB2 PHE 5 15.699 4.057 0.506
42 HB3 PHE 5 HB1 PHE 5 14.368 3.787 1.632
43 HD1 PHE 5 HD1 PHE 5 15.140 3.806 3.833
44 HD2 PHE 5 HD2 PHE 5 17.484 1.864 0.802
45 HE1 PHE 5 HE1 PHE 5 16.760 3.065 5.560
46 HE2 PHE 5 HE2 PHE 5 19.103 1.123 2.528
47 HZ PHE 5 HZ PHE 5 18.741 1.724 4.907
48 H SER 6 HN SER 6 12.438 2.721 -0.534
49 HA SER 6 HA SER 6 10.970 1.466 1.701
50 HB2 SER 6 HB2 SER 6 10.463 3.322 -0.574
51 HB3 SER 6 HB1 SER 6 9.085 2.380 -0.003
52 HG SER 6 HG SER 6 10.766 3.715 1.812
53 H LYS 7 HN LYS 7 11.834 0.777 -1.612
54 HA LYS 7 HA LYS 7 9.787 -1.155 -2.217
55 HB2 LYS 7 HB2 LYS 7 12.591 -0.572 -3.179
56 HB3 LYS 7 HB1 LYS 7 11.627 -1.871 -3.883
57 HG2 LYS 7 HG2 LYS 7 10.211 0.708 -3.615
58 HG3 LYS 7 HG1 LYS 7 11.564 0.725 -4.747
59 HD2 LYS 7 HD2 LYS 7 10.482 -0.608 -6.233
60 HD3 LYS 7 HD1 LYS 7 9.863 -1.668 -4.966
61 HE2 LYS 7 HE2 LYS 7 8.112 0.001 -4.423
62 HE3 LYS 7 HE1 LYS 7 8.731 1.057 -5.707
63 HZ1 LYS 7 HZ1 LYS 7 8.304 -1.709 -6.468
64 HZ2 LYS 7 HZ2 LYS 7 7.928 -0.283 -7.312
65 HZ3 LYS 7 HZ3 LYS 7 6.885 -0.856 -6.100
66 H PHE 8 HN PHE 8 12.501 -1.282 -0.095
67 HA PHE 8 HA PHE 8 12.343 -4.276 -0.028
68 HB2 PHE 8 HB2 PHE 8 14.485 -2.505 -0.474
69 HB3 PHE 8 HB1 PHE 8 14.703 -3.087 1.175
70 HD1 PHE 8 HD1 PHE 8 15.795 -3.723 -1.966
71 HD2 PHE 8 HD2 PHE 8 13.799 -5.779 1.234
72 HE1 PHE 8 HE1 PHE 8 16.623 -5.890 -2.843
73 HE2 PHE 8 HE2 PHE 8 14.626 -7.946 0.357
74 HZ PHE 8 HZ PHE 8 16.038 -8.002 -1.682
75 H LEU 9 HN LEU 9 12.807 -1.330 1.925
76 HA LEU 9 HA LEU 9 12.437 -2.775 4.457
77 HB2 LEU 9 HB2 LEU 9 12.475 0.198 3.851
78 HB3 LEU 9 HB1 LEU 9 12.828 -0.574 5.394
79 HG LEU 9 HG LEU 9 14.441 -0.823 2.841
80 HD11 LEU 9 HD11 LEU 9 14.494 1.181 4.692
81 HD12 LEU 9 HD12 LEU 9 15.900 0.674 3.756
82 HD13 LEU 9 HD13 LEU 9 15.659 0.056 5.391
83 HD21 LEU 9 HD21 LEU 9 15.998 -2.054 4.559
84 HD22 LEU 9 HD22 LEU 9 14.666 -2.940 3.817
85 HD23 LEU 9 HD23 LEU 9 14.501 -2.309 5.455
86 H GLY 10 HN GLY 10 10.587 -0.478 2.446
87 HA2 GLY 10 HA2 GLY 10 8.343 -0.206 4.179
88 HA3 GLY 10 HA1 GLY 10 8.291 0.019 2.431
89 H ARG 11 HN ARG 11 9.385 -2.830 2.167
90 HA ARG 11 HA ARG 11 6.828 -4.163 1.878
91 HB2 ARG 11 HB2 ARG 11 9.647 -5.289 1.875
92 HB3 ARG 11 HB1 ARG 11 8.232 -5.997 1.099
93 HG2 ARG 11 HG2 ARG 11 9.630 -3.411 0.362
94 HG3 ARG 11 HG1 ARG 11 9.496 -4.871 -0.614
95 HD2 ARG 11 HD2 ARG 11 7.736 -3.712 -1.551
96 HD3 ARG 11 HD1 ARG 11 6.858 -4.364 -0.154
97 HE ARG 11 HE ARG 11 8.296 -1.906 0.471
98 HH11 ARG 11 HH11 ARG 11 7.049 -0.085 0.901
99 HH12 ARG 11 HH12 ARG 11 5.375 -0.063 0.455
100 HH21 ARG 11 HH21 ARG 11 5.394 -3.257 -0.886
101 HH22 ARG 11 HH22 ARG 11 4.447 -1.850 -0.550
102 H ILE 12 HN ILE 12 9.133 -3.865 4.455
103 HA ILE 12 HA ILE 12 7.796 -6.093 5.955
104 HB ILE 12 HB ILE 12 10.347 -5.029 6.958
105 HG12 ILE 12 HG12 ILE 12 10.141 -6.121 4.147
106 HG13 ILE 12 HG11 ILE 12 10.903 -4.620 4.671
107 HG21 ILE 12 HG21 ILE 12 9.204 -7.178 7.620
108 HG22 ILE 12 HG22 ILE 12 10.881 -7.383 7.113
109 HG23 ILE 12 HG23 ILE 12 9.568 -7.801 6.010
110 HD11 ILE 12 HD11 ILE 12 12.763 -6.002 4.450
111 HD12 ILE 12 HD12 ILE 12 11.879 -7.443 4.953
112 HD13 ILE 12 HD13 ILE 12 12.368 -6.244 6.152
113 H LEU 13 HN LEU 13 8.834 -2.728 6.006
114 HA LEU 13 HA LEU 13 8.058 -2.303 8.793
115 HB2 LEU 13 HB2 LEU 13 9.306 -0.880 6.499
116 HB3 LEU 13 HB1 LEU 13 8.569 0.111 7.741
117 HG LEU 13 HG LEU 13 9.931 -1.698 9.257
118 HD11 LEU 13 HD11 LEU 13 10.878 -2.643 7.101
119 HD12 LEU 13 HD12 LEU 13 12.086 -2.128 8.280
120 HD13 LEU 13 HD13 LEU 13 11.720 -1.108 6.891
121 HD21 LEU 13 HD21 LEU 13 10.770 0.971 8.119
122 HD22 LEU 13 HD22 LEU 13 11.747 0.126 9.320
123 HD23 LEU 13 HD23 LEU 13 10.103 0.628 9.715
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 11.383 12.189 -1.318
2 H2 PHE 1 HT2 PHE 1 12.878 11.793 -0.616
3 H3 PHE 1 HT3 PHE 1 11.726 12.674 0.270
4 HA PHE 1 HA PHE 1 11.112 10.713 1.142
5 HB2 PHE 1 HB2 PHE 1 9.602 11.459 -0.978
6 HB3 PHE 1 HB1 PHE 1 10.091 9.853 -1.518
7 HD1 PHE 1 HD1 PHE 1 8.750 8.061 -0.883
8 HD2 PHE 1 HD2 PHE 1 8.906 11.547 1.620
9 HE1 PHE 1 HE1 PHE 1 7.080 7.041 0.642
10 HE2 PHE 1 HE2 PHE 1 7.237 10.528 3.145
11 HZ PHE 1 HZ PHE 1 6.323 8.275 2.656
12 H VAL 2 HN VAL 2 10.813 8.139 0.190
13 HA VAL 2 HA VAL 2 13.452 7.382 -0.994
14 HB VAL 2 HB VAL 2 12.970 5.505 0.996
15 HG11 VAL 2 HG11 VAL 2 14.806 6.753 2.201
16 HG12 VAL 2 HG12 VAL 2 14.642 8.032 0.998
17 HG13 VAL 2 HG13 VAL 2 15.153 6.418 0.505
18 HG21 VAL 2 HG21 VAL 2 12.391 8.261 2.118
19 HG22 VAL 2 HG22 VAL 2 12.427 6.738 3.007
20 HG23 VAL 2 HG23 VAL 2 11.151 7.041 1.827
21 H GLN 3 HN GLN 3 12.900 6.178 -2.768
22 HA GLN 3 HA GLN 3 10.478 4.422 -2.605
23 HB2 GLN 3 HB2 GLN 3 10.360 4.711 -4.990
24 HB3 GLN 3 HB1 GLN 3 10.695 6.305 -4.314
25 HG2 GLN 3 HG2 GLN 3 13.176 5.769 -4.680
26 HG3 GLN 3 HG1 GLN 3 12.629 4.409 -5.660
27 HE21 GLN 3 HE21 GLN 3 11.437 7.806 -5.356
28 HE22 GLN 3 HE22 GLN 3 11.520 8.139 -7.019
29 H TRP 4 HN TRP 4 13.926 4.511 -3.409
30 HA TRP 4 HA TRP 4 14.021 1.715 -4.271
31 HB2 TRP 4 HB2 TRP 4 15.580 4.020 -4.488
32 HB3 TRP 4 HB1 TRP 4 16.523 2.973 -3.428
33 HD1 TRP 4 HD1 TRP 4 16.504 0.252 -4.425
34 HE1 TRP 4 HE1 TRP 4 17.104 -0.460 -6.829
35 HE3 TRP 4 HE3 TRP 4 15.771 4.678 -6.865
36 HZ2 TRP 4 HZ2 TRP 4 17.253 0.695 -9.442
37 HZ3 TRP 4 HZ3 TRP 4 16.148 4.844 -9.307
38 HH2 TRP 4 HH2 TRP 4 16.888 2.860 -10.599
39 H PHE 5 HN PHE 5 14.871 3.556 -1.346
40 HA PHE 5 HA PHE 5 15.908 1.246 0.094
41 HB2 PHE 5 HB2 PHE 5 16.278 3.851 0.327
42 HB3 PHE 5 HB1 PHE 5 14.852 3.764 1.361
43 HD1 PHE 5 HD1 PHE 5 15.492 3.814 3.605
44 HD2 PHE 5 HD2 PHE 5 17.770 1.466 0.821
45 HE1 PHE 5 HE1 PHE 5 16.899 2.971 5.466
46 HE2 PHE 5 HE2 PHE 5 19.176 0.624 2.682
47 HZ PHE 5 HZ PHE 5 18.741 1.376 5.004
48 H SER 6 HN SER 6 12.762 2.713 -0.375
49 HA SER 6 HA SER 6 11.527 1.311 1.900
50 HB2 SER 6 HB2 SER 6 9.548 2.487 1.154
51 HB3 SER 6 HB1 SER 6 10.909 3.599 0.997
52 HG SER 6 HG SER 6 9.348 3.248 -0.859
53 H LYS 7 HN LYS 7 12.082 0.773 -1.502
54 HA LYS 7 HA LYS 7 9.999 -1.070 -2.119
55 HB2 LYS 7 HB2 LYS 7 12.707 -0.330 -3.083
56 HB3 LYS 7 HB1 LYS 7 12.114 -1.908 -3.601
57 HG2 LYS 7 HG2 LYS 7 10.058 0.161 -3.800
58 HG3 LYS 7 HG1 LYS 7 11.480 0.540 -4.773
59 HD2 LYS 7 HD2 LYS 7 10.120 -2.165 -4.831
60 HD3 LYS 7 HD1 LYS 7 9.707 -0.860 -5.943
61 HE2 LYS 7 HE2 LYS 7 12.502 -0.971 -6.046
62 HE3 LYS 7 HE1 LYS 7 11.993 -2.670 -6.015
63 HZ1 LYS 7 HZ1 LYS 7 10.235 -1.959 -7.677
64 HZ2 LYS 7 HZ2 LYS 7 11.830 -2.016 -8.258
65 HZ3 LYS 7 HZ3 LYS 7 11.118 -0.523 -7.867
66 H PHE 8 HN PHE 8 12.817 -1.404 -0.111
67 HA PHE 8 HA PHE 8 12.474 -4.378 -0.050
68 HB2 PHE 8 HB2 PHE 8 14.688 -2.644 -0.339
69 HB3 PHE 8 HB1 PHE 8 14.818 -3.321 1.282
70 HD1 PHE 8 HD1 PHE 8 16.215 -3.824 -1.680
71 HD2 PHE 8 HD2 PHE 8 13.638 -5.982 0.994
72 HE1 PHE 8 HE1 PHE 8 17.016 -5.967 -2.639
73 HE2 PHE 8 HE2 PHE 8 14.437 -8.125 0.034
74 HZ PHE 8 HZ PHE 8 16.125 -8.118 -1.782
75 H LEU 9 HN LEU 9 12.715 -1.440 1.908
76 HA LEU 9 HA LEU 9 12.256 -2.947 4.414
77 HB2 LEU 9 HB2 LEU 9 12.522 0.028 3.882
78 HB3 LEU 9 HB1 LEU 9 12.737 -0.795 5.424
79 HG LEU 9 HG LEU 9 14.444 -1.228 2.958
80 HD11 LEU 9 HD11 LEU 9 14.649 0.558 5.328
81 HD12 LEU 9 HD12 LEU 9 15.297 0.768 3.701
82 HD13 LEU 9 HD13 LEU 9 16.126 -0.281 4.851
83 HD21 LEU 9 HD21 LEU 9 15.746 -2.201 5.224
84 HD22 LEU 9 HD22 LEU 9 14.948 -3.176 3.991
85 HD23 LEU 9 HD23 LEU 9 14.073 -2.709 5.448
86 H GLY 10 HN GLY 10 10.689 -0.309 2.559
87 HA2 GLY 10 HA2 GLY 10 8.391 0.022 4.133
88 HA3 GLY 10 HA1 GLY 10 8.408 0.246 2.385
89 H ARG 11 HN ARG 11 9.276 -2.633 2.060
90 HA ARG 11 HA ARG 11 6.628 -3.778 1.801
91 HB2 ARG 11 HB2 ARG 11 7.749 -5.267 0.487
92 HB3 ARG 11 HB1 ARG 11 9.015 -4.046 0.588
93 HG2 ARG 11 HG2 ARG 11 10.018 -5.238 2.487
94 HG3 ARG 11 HG1 ARG 11 8.762 -6.474 2.382
95 HD2 ARG 11 HD2 ARG 11 9.869 -6.081 -0.228
96 HD3 ARG 11 HD1 ARG 11 11.201 -6.352 0.914
97 HE ARG 11 HE ARG 11 9.247 -8.211 1.640
98 HH11 ARG 11 HH11 ARG 11 9.211 -10.313 0.844
99 HH12 ARG 11 HH12 ARG 11 9.966 -10.671 -0.674
100 HH21 ARG 11 HH21 ARG 11 11.015 -7.421 -1.246
101 HH22 ARG 11 HH22 ARG 11 10.981 -9.042 -1.846
102 H ILE 12 HN ILE 12 8.982 -3.739 4.343
103 HA ILE 12 HA ILE 12 7.503 -5.939 5.755
104 HB ILE 12 HB ILE 12 10.140 -5.158 6.801
105 HG12 ILE 12 HG12 ILE 12 9.991 -6.424 4.054
106 HG13 ILE 12 HG11 ILE 12 10.560 -4.787 4.378
107 HG21 ILE 12 HG21 ILE 12 8.770 -7.180 7.410
108 HG22 ILE 12 HG22 ILE 12 10.424 -7.551 6.921
109 HG23 ILE 12 HG23 ILE 12 9.091 -7.813 5.795
110 HD11 ILE 12 HD11 ILE 12 12.221 -5.873 6.014
111 HD12 ILE 12 HD12 ILE 12 12.536 -6.088 4.292
112 HD13 ILE 12 HD13 ILE 12 11.812 -7.397 5.226
113 H LEU 13 HN LEU 13 8.837 -2.687 5.942
114 HA LEU 13 HA LEU 13 8.324 -2.255 8.742
115 HB2 LEU 13 HB2 LEU 13 9.090 -0.750 6.281
116 HB3 LEU 13 HB1 LEU 13 8.578 0.167 7.686
117 HG LEU 13 HG LEU 13 11.023 -0.184 7.691
118 HD11 LEU 13 HD11 LEU 13 9.951 -1.970 9.851
119 HD12 LEU 13 HD12 LEU 13 9.478 -0.271 9.813
120 HD13 LEU 13 HD13 LEU 13 11.180 -0.710 9.959
121 HD21 LEU 13 HD21 LEU 13 11.929 -2.451 7.941
122 HD22 LEU 13 HD22 LEU 13 11.004 -2.328 6.446
123 HD23 LEU 13 HD23 LEU 13 10.301 -3.123 7.853
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 10.129 9.707 -0.600
2 H2 PHE 1 HT2 PHE 1 9.550 10.957 0.394
3 H3 PHE 1 HT3 PHE 1 9.677 9.374 1.000
4 HA PHE 1 HA PHE 1 11.832 11.319 0.444
5 HB2 PHE 1 HB2 PHE 1 10.435 10.103 2.667
6 HB3 PHE 1 HB1 PHE 1 12.157 9.740 2.768
7 HD1 PHE 1 HD1 PHE 1 9.724 12.078 3.667
8 HD2 PHE 1 HD2 PHE 1 13.713 11.852 2.089
9 HE1 PHE 1 HE1 PHE 1 10.166 14.389 4.454
10 HE2 PHE 1 HE2 PHE 1 14.154 14.163 2.874
11 HZ PHE 1 HZ PHE 1 12.382 15.431 4.057
12 H VAL 2 HN VAL 2 10.961 7.936 0.244
13 HA VAL 2 HA VAL 2 13.649 7.326 -0.857
14 HB VAL 2 HB VAL 2 13.157 5.201 0.872
15 HG11 VAL 2 HG11 VAL 2 15.333 6.251 0.443
16 HG12 VAL 2 HG12 VAL 2 15.029 6.181 2.179
17 HG13 VAL 2 HG13 VAL 2 14.821 7.701 1.308
18 HG21 VAL 2 HG21 VAL 2 12.578 6.139 3.008
19 HG22 VAL 2 HG22 VAL 2 11.344 6.676 1.868
20 HG23 VAL 2 HG23 VAL 2 12.626 7.780 2.366
21 H GLN 3 HN GLN 3 13.142 6.327 -2.769
22 HA GLN 3 HA GLN 3 10.656 4.684 -2.928
23 HB2 GLN 3 HB2 GLN 3 10.786 5.121 -5.269
24 HB3 GLN 3 HB1 GLN 3 11.267 6.632 -4.496
25 HG2 GLN 3 HG2 GLN 3 13.653 5.970 -4.752
26 HG3 GLN 3 HG1 GLN 3 13.137 4.510 -5.595
27 HE21 GLN 3 HE21 GLN 3 12.147 7.983 -5.822
28 HE22 GLN 3 HE22 GLN 3 12.343 8.075 -7.507
29 H TRP 4 HN TRP 4 14.166 4.532 -3.494
30 HA TRP 4 HA TRP 4 14.090 1.735 -4.367
31 HB2 TRP 4 HB2 TRP 4 15.868 3.963 -4.363
32 HB3 TRP 4 HB1 TRP 4 16.676 2.650 -3.506
33 HD1 TRP 4 HD1 TRP 4 16.822 0.260 -4.840
34 HE1 TRP 4 HE1 TRP 4 17.074 -0.192 -7.366
35 HE3 TRP 4 HE3 TRP 4 15.345 4.781 -6.699
36 HZ2 TRP 4 HZ2 TRP 4 16.698 1.182 -9.848
37 HZ3 TRP 4 HZ3 TRP 4 15.302 5.182 -9.145
38 HH2 TRP 4 HH2 TRP 4 15.975 3.390 -10.719
39 H PHE 5 HN PHE 5 14.846 3.516 -1.391
40 HA PHE 5 HA PHE 5 15.756 1.169 0.080
41 HB2 PHE 5 HB2 PHE 5 16.012 3.858 0.327
42 HB3 PHE 5 HB1 PHE 5 14.691 3.584 1.462
43 HD1 PHE 5 HD1 PHE 5 15.572 3.625 3.629
44 HD2 PHE 5 HD2 PHE 5 17.666 1.489 0.546
45 HE1 PHE 5 HE1 PHE 5 17.192 2.785 5.310
46 HE2 PHE 5 HE2 PHE 5 19.284 0.648 2.228
47 HZ PHE 5 HZ PHE 5 19.047 1.297 4.609
48 H SER 6 HN SER 6 12.670 2.651 -0.609
49 HA SER 6 HA SER 6 11.266 1.324 1.612
50 HB2 SER 6 HB2 SER 6 10.446 2.948 -0.812
51 HB3 SER 6 HB1 SER 6 9.287 2.328 0.364
52 HG SER 6 HG SER 6 10.463 3.465 1.976
53 H LYS 7 HN LYS 7 12.054 0.674 -1.727
54 HA LYS 7 HA LYS 7 10.013 -1.201 -2.399
55 HB2 LYS 7 HB2 LYS 7 12.805 -0.540 -3.232
56 HB3 LYS 7 HB1 LYS 7 12.129 -2.064 -3.804
57 HG2 LYS 7 HG2 LYS 7 10.076 -0.172 -4.149
58 HG3 LYS 7 HG1 LYS 7 11.548 0.637 -4.689
59 HD2 LYS 7 HD2 LYS 7 11.954 -0.938 -6.366
60 HD3 LYS 7 HD1 LYS 7 11.007 -2.188 -5.559
61 HE2 LYS 7 HE2 LYS 7 8.924 -1.002 -6.096
62 HE3 LYS 7 HE1 LYS 7 9.849 0.318 -6.838
63 HZ1 LYS 7 HZ1 LYS 7 9.162 -1.285 -8.517
64 HZ2 LYS 7 HZ2 LYS 7 9.911 -2.545 -7.657
65 HZ3 LYS 7 HZ3 LYS 7 10.849 -1.308 -8.347
66 H PHE 8 HN PHE 8 12.691 -1.446 -0.205
67 HA PHE 8 HA PHE 8 12.312 -4.415 -0.043
68 HB2 PHE 8 HB2 PHE 8 14.579 -2.715 -0.384
69 HB3 PHE 8 HB1 PHE 8 14.706 -3.450 1.211
70 HD1 PHE 8 HD1 PHE 8 13.550 -6.070 0.953
71 HD2 PHE 8 HD2 PHE 8 15.919 -3.890 -1.891
72 HE1 PHE 8 HE1 PHE 8 14.256 -8.204 -0.096
73 HE2 PHE 8 HE2 PHE 8 16.625 -6.024 -2.939
74 HZ PHE 8 HZ PHE 8 15.793 -8.181 -2.042
75 H LEU 9 HN LEU 9 12.903 -1.442 1.838
76 HA LEU 9 HA LEU 9 12.379 -2.769 4.406
77 HB2 LEU 9 HB2 LEU 9 12.571 0.176 3.696
78 HB3 LEU 9 HB1 LEU 9 12.844 -0.554 5.277
79 HG LEU 9 HG LEU 9 14.523 -0.937 2.784
80 HD11 LEU 9 HD11 LEU 9 15.978 0.539 3.705
81 HD12 LEU 9 HD12 LEU 9 15.760 -0.122 5.326
82 HD13 LEU 9 HD13 LEU 9 14.608 1.052 4.689
83 HD21 LEU 9 HD21 LEU 9 14.691 -2.264 5.507
84 HD22 LEU 9 HD22 LEU 9 15.944 -2.363 4.270
85 HD23 LEU 9 HD23 LEU 9 14.352 -3.061 3.971
86 H GLY 10 HN GLY 10 10.711 -0.421 2.292
87 HA2 GLY 10 HA2 GLY 10 8.430 0.032 3.904
88 HA3 GLY 10 HA1 GLY 10 8.432 0.128 2.142
89 H ARG 11 HN ARG 11 9.404 -2.776 2.119
90 HA ARG 11 HA ARG 11 6.792 -4.023 1.881
91 HB2 ARG 11 HB2 ARG 11 9.555 -5.280 2.007
92 HB3 ARG 11 HB1 ARG 11 8.120 -5.964 1.250
93 HG2 ARG 11 HG2 ARG 11 9.213 -3.304 0.341
94 HG3 ARG 11 HG1 ARG 11 9.882 -4.811 -0.271
95 HD2 ARG 11 HD2 ARG 11 8.167 -4.195 -1.825
96 HD3 ARG 11 HD1 ARG 11 7.446 -5.468 -0.823
97 HE ARG 11 HE ARG 11 5.998 -3.831 0.079
98 HH11 ARG 11 HH11 ARG 11 5.256 -1.734 0.389
99 HH12 ARG 11 HH12 ARG 11 6.223 -0.393 -0.127
100 HH21 ARG 11 HH21 ARG 11 8.800 -2.353 -1.355
101 HH22 ARG 11 HH22 ARG 11 8.215 -0.745 -1.108
102 H ILE 12 HN ILE 12 8.928 -3.466 4.498
103 HA ILE 12 HA ILE 12 7.547 -5.554 6.146
104 HB ILE 12 HB ILE 12 10.149 -4.643 7.101
105 HG12 ILE 12 HG12 ILE 12 9.990 -5.860 4.328
106 HG13 ILE 12 HG11 ILE 12 10.623 -4.266 4.729
107 HG21 ILE 12 HG21 ILE 12 10.559 -7.034 7.225
108 HG22 ILE 12 HG22 ILE 12 9.202 -7.360 6.148
109 HG23 ILE 12 HG23 ILE 12 8.911 -6.721 7.766
110 HD11 ILE 12 HD11 ILE 12 12.377 -5.305 6.116
111 HD12 ILE 12 HD12 ILE 12 12.455 -5.890 4.453
112 HD13 ILE 12 HD13 ILE 12 11.750 -6.904 5.712
113 H LEU 13 HN LEU 13 8.915 -2.289 5.999
114 HA LEU 13 HA LEU 13 8.211 -1.588 8.727
115 HB2 LEU 13 HB2 LEU 13 9.442 -0.440 6.286
116 HB3 LEU 13 HB1 LEU 13 8.741 0.710 7.406
117 HG LEU 13 HG LEU 13 10.041 -0.729 9.194
118 HD11 LEU 13 HD11 LEU 13 10.715 -2.192 7.029
119 HD12 LEU 13 HD12 LEU 13 11.758 -2.049 8.444
120 HD13 LEU 13 HD13 LEU 13 12.049 -1.039 7.028
121 HD21 LEU 13 HD21 LEU 13 10.786 1.440 9.171
122 HD22 LEU 13 HD22 LEU 13 10.909 1.483 7.413
123 HD23 LEU 13 HD23 LEU 13 12.175 0.709 8.366
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 9.869 10.178 0.430
2 H2 PHE 1 HT2 PHE 1 10.576 11.396 1.380
3 H3 PHE 1 HT3 PHE 1 11.159 9.802 1.464
4 HA PHE 1 HA PHE 1 11.201 11.110 -1.159
5 HB2 PHE 1 HB2 PHE 1 12.710 11.894 1.317
6 HB3 PHE 1 HB1 PHE 1 13.519 12.001 -0.246
7 HD1 PHE 1 HD1 PHE 1 11.733 12.956 -2.156
8 HD2 PHE 1 HD2 PHE 1 11.794 13.907 2.032
9 HE1 PHE 1 HE1 PHE 1 10.549 15.084 -2.623
10 HE2 PHE 1 HE2 PHE 1 10.610 16.036 1.566
11 HZ PHE 1 HZ PHE 1 9.988 16.625 -0.762
12 H VAL 2 HN VAL 2 11.128 8.342 -0.164
13 HA VAL 2 HA VAL 2 13.760 7.442 -1.246
14 HB VAL 2 HB VAL 2 12.997 5.704 0.874
15 HG11 VAL 2 HG11 VAL 2 15.277 6.824 -0.147
16 HG12 VAL 2 HG12 VAL 2 15.209 5.931 1.373
17 HG13 VAL 2 HG13 VAL 2 15.123 7.694 1.380
18 HG21 VAL 2 HG21 VAL 2 12.950 7.251 2.779
19 HG22 VAL 2 HG22 VAL 2 11.610 7.603 1.686
20 HG23 VAL 2 HG23 VAL 2 13.045 8.629 1.681
21 H GLN 3 HN GLN 3 13.131 6.270 -3.014
22 HA GLN 3 HA GLN 3 10.645 4.619 -2.849
23 HB2 GLN 3 HB2 GLN 3 10.631 4.810 -5.235
24 HB3 GLN 3 HB1 GLN 3 11.094 6.403 -4.639
25 HG2 GLN 3 HG2 GLN 3 13.520 5.637 -4.888
26 HG3 GLN 3 HG1 GLN 3 12.891 4.255 -5.784
27 HE21 GLN 3 HE21 GLN 3 13.962 5.085 -7.763
28 HE22 GLN 3 HE22 GLN 3 13.296 6.397 -8.611
29 H TRP 4 HN TRP 4 14.124 4.470 -3.459
30 HA TRP 4 HA TRP 4 14.111 1.635 -4.193
31 HB2 TRP 4 HB2 TRP 4 15.883 3.908 -4.154
32 HB3 TRP 4 HB1 TRP 4 16.674 2.545 -3.366
33 HD1 TRP 4 HD1 TRP 4 15.802 3.891 -6.711
34 HE1 TRP 4 HE1 TRP 4 16.389 2.178 -8.546
35 HE3 TRP 4 HE3 TRP 4 16.686 -0.227 -3.823
36 HZ2 TRP 4 HZ2 TRP 4 17.134 -0.575 -8.760
37 HZ3 TRP 4 HZ3 TRP 4 17.331 -2.379 -4.867
38 HH2 TRP 4 HH2 TRP 4 17.557 -2.559 -7.330
39 H PHE 5 HN PHE 5 14.797 3.568 -1.293
40 HA PHE 5 HA PHE 5 15.700 1.310 0.310
41 HB2 PHE 5 HB2 PHE 5 16.034 3.943 0.448
42 HB3 PHE 5 HB1 PHE 5 14.578 3.855 1.439
43 HD1 PHE 5 HD1 PHE 5 15.225 4.064 3.684
44 HD2 PHE 5 HD2 PHE 5 17.484 1.510 1.069
45 HE1 PHE 5 HE1 PHE 5 16.593 3.302 5.608
46 HE2 PHE 5 HE2 PHE 5 18.850 0.749 2.993
47 HZ PHE 5 HZ PHE 5 18.406 1.646 5.262
48 H SER 6 HN SER 6 12.609 2.738 -0.481
49 HA SER 6 HA SER 6 11.191 1.434 1.756
50 HB2 SER 6 HB2 SER 6 10.746 3.712 0.546
51 HB3 SER 6 HB1 SER 6 9.958 2.718 -0.679
52 HG SER 6 HG SER 6 9.233 3.226 1.958
53 H LYS 7 HN LYS 7 11.970 0.819 -1.592
54 HA LYS 7 HA LYS 7 9.934 -1.059 -2.275
55 HB2 LYS 7 HB2 LYS 7 12.651 -0.259 -3.142
56 HB3 LYS 7 HB1 LYS 7 12.146 -1.872 -3.645
57 HG2 LYS 7 HG2 LYS 7 9.907 -0.219 -4.065
58 HG3 LYS 7 HG1 LYS 7 11.287 0.706 -4.656
59 HD2 LYS 7 HD2 LYS 7 11.935 -1.040 -6.154
60 HD3 LYS 7 HD1 LYS 7 10.841 -2.194 -5.393
61 HE2 LYS 7 HE2 LYS 7 9.851 0.333 -6.747
62 HE3 LYS 7 HE1 LYS 7 9.999 -1.219 -7.594
63 HZ1 LYS 7 HZ1 LYS 7 7.848 -1.253 -6.703
64 HZ2 LYS 7 HZ2 LYS 7 8.334 -0.550 -5.235
65 HZ3 LYS 7 HZ3 LYS 7 8.752 -2.158 -5.589
66 H PHE 8 HN PHE 8 12.573 -1.307 -0.061
67 HA PHE 8 HA PHE 8 12.281 -4.289 0.010
68 HB2 PHE 8 HB2 PHE 8 14.504 -2.547 -0.277
69 HB3 PHE 8 HB1 PHE 8 14.621 -3.249 1.334
70 HD1 PHE 8 HD1 PHE 8 14.575 -3.950 -2.279
71 HD2 PHE 8 HD2 PHE 8 14.882 -5.667 1.647
72 HE1 PHE 8 HE1 PHE 8 15.364 -6.081 -3.273
73 HE2 PHE 8 HE2 PHE 8 15.673 -7.797 0.652
74 HZ PHE 8 HZ PHE 8 15.913 -8.004 -1.807
75 H LEU 9 HN LEU 9 12.867 -1.391 2.018
76 HA LEU 9 HA LEU 9 12.287 -2.787 4.522
77 HB2 LEU 9 HB2 LEU 9 12.443 0.172 3.859
78 HB3 LEU 9 HB1 LEU 9 12.630 -0.557 5.452
79 HG LEU 9 HG LEU 9 14.447 -0.961 3.064
80 HD11 LEU 9 HD11 LEU 9 14.487 1.184 4.595
81 HD12 LEU 9 HD12 LEU 9 15.998 0.383 4.167
82 HD13 LEU 9 HD13 LEU 9 15.269 0.103 5.748
83 HD21 LEU 9 HD21 LEU 9 14.241 -2.313 5.744
84 HD22 LEU 9 HD22 LEU 9 15.812 -2.156 4.957
85 HD23 LEU 9 HD23 LEU 9 14.508 -3.034 4.157
86 H GLY 10 HN GLY 10 10.615 -0.366 2.495
87 HA2 GLY 10 HA2 GLY 10 8.288 -0.070 4.076
88 HA3 GLY 10 HA1 GLY 10 8.324 0.137 2.326
89 H ARG 11 HN ARG 11 9.359 -2.733 2.131
90 HA ARG 11 HA ARG 11 6.766 -4.012 1.802
91 HB2 ARG 11 HB2 ARG 11 9.550 -5.215 1.761
92 HB3 ARG 11 HB1 ARG 11 8.116 -5.827 0.939
93 HG2 ARG 11 HG2 ARG 11 9.638 -3.279 0.326
94 HG3 ARG 11 HG1 ARG 11 9.443 -4.688 -0.713
95 HD2 ARG 11 HD2 ARG 11 7.706 -3.514 -1.616
96 HD3 ARG 11 HD1 ARG 11 6.820 -4.001 -0.158
97 HE ARG 11 HE ARG 11 8.487 -1.675 0.327
98 HH11 ARG 11 HH11 ARG 11 7.456 0.303 0.602
99 HH12 ARG 11 HH12 ARG 11 5.809 0.491 0.107
100 HH21 ARG 11 HH21 ARG 11 5.479 -2.758 -1.038
101 HH22 ARG 11 HH22 ARG 11 4.700 -1.232 -0.815
102 H ILE 12 HN ILE 12 8.955 -3.675 4.431
103 HA ILE 12 HA ILE 12 7.620 -5.940 5.876
104 HB ILE 12 HB ILE 12 10.210 -5.166 6.927
105 HG12 ILE 12 HG12 ILE 12 10.124 -5.966 4.003
106 HG13 ILE 12 HG11 ILE 12 10.674 -4.414 4.634
107 HG21 ILE 12 HG21 ILE 12 10.495 -7.456 7.049
108 HG22 ILE 12 HG22 ILE 12 9.719 -7.741 5.491
109 HG23 ILE 12 HG23 ILE 12 8.738 -7.393 6.915
110 HD11 ILE 12 HD11 ILE 12 12.612 -5.826 4.211
111 HD12 ILE 12 HD12 ILE 12 11.920 -7.117 5.195
112 HD13 ILE 12 HD13 ILE 12 12.422 -5.604 5.951
113 H LEU 13 HN LEU 13 8.919 -2.655 6.039
114 HA LEU 13 HA LEU 13 8.477 -2.194 8.828
115 HB2 LEU 13 HB2 LEU 13 9.111 -0.744 6.322
116 HB3 LEU 13 HB1 LEU 13 8.457 0.226 7.631
117 HG LEU 13 HG LEU 13 10.968 0.035 7.661
118 HD11 LEU 13 HD11 LEU 13 10.652 -1.210 10.152
119 HD12 LEU 13 HD12 LEU 13 9.092 -0.457 9.822
120 HD13 LEU 13 HD13 LEU 13 10.559 0.522 9.825
121 HD21 LEU 13 HD21 LEU 13 10.654 -2.507 6.945
122 HD22 LEU 13 HD22 LEU 13 10.655 -2.753 8.692
123 HD23 LEU 13 HD23 LEU 13 12.042 -1.999 7.905
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 12.780 12.003 0.721
2 H2 PHE 1 HT2 PHE 1 12.009 10.666 1.430
3 H3 PHE 1 HT3 PHE 1 11.111 12.048 1.018
4 HA PHE 1 HA PHE 1 10.616 10.586 -0.713
5 HB2 PHE 1 HB2 PHE 1 12.996 12.332 -1.424
6 HB3 PHE 1 HB1 PHE 1 11.876 11.645 -2.601
7 HD1 PHE 1 HD1 PHE 1 12.603 14.598 -1.067
8 HD2 PHE 1 HD2 PHE 1 9.261 11.955 -1.603
9 HE1 PHE 1 HE1 PHE 1 11.047 16.492 -0.693
10 HE2 PHE 1 HE2 PHE 1 7.703 13.848 -1.229
11 HZ PHE 1 HZ PHE 1 8.596 16.117 -0.775
12 H VAL 2 HN VAL 2 11.147 8.382 -0.326
13 HA VAL 2 HA VAL 2 13.759 7.508 -1.485
14 HB VAL 2 HB VAL 2 13.230 5.811 0.683
15 HG11 VAL 2 HG11 VAL 2 15.350 6.457 1.339
16 HG12 VAL 2 HG12 VAL 2 15.033 8.166 1.039
17 HG13 VAL 2 HG13 VAL 2 15.363 7.080 -0.311
18 HG21 VAL 2 HG21 VAL 2 11.572 7.547 1.431
19 HG22 VAL 2 HG22 VAL 2 12.898 8.706 1.523
20 HG23 VAL 2 HG23 VAL 2 12.888 7.292 2.576
21 H GLN 3 HN GLN 3 13.073 6.269 -3.199
22 HA GLN 3 HA GLN 3 10.641 4.570 -2.881
23 HB2 GLN 3 HB2 GLN 3 10.606 4.589 -5.274
24 HB3 GLN 3 HB1 GLN 3 11.062 6.225 -4.801
25 HG2 GLN 3 HG2 GLN 3 13.470 5.568 -5.072
26 HG3 GLN 3 HG1 GLN 3 12.930 4.010 -5.697
27 HE21 GLN 3 HE21 GLN 3 13.122 7.472 -6.418
28 HE22 GLN 3 HE22 GLN 3 12.680 7.337 -8.051
29 H TRP 4 HN TRP 4 14.120 4.409 -3.512
30 HA TRP 4 HA TRP 4 14.140 1.539 -4.056
31 HB2 TRP 4 HB2 TRP 4 15.887 3.817 -4.149
32 HB3 TRP 4 HB1 TRP 4 16.681 2.541 -3.227
33 HD1 TRP 4 HD1 TRP 4 15.928 -0.031 -4.606
34 HE1 TRP 4 HE1 TRP 4 16.563 -0.536 -7.053
35 HE3 TRP 4 HE3 TRP 4 16.671 4.721 -6.325
36 HZ2 TRP 4 HZ2 TRP 4 17.289 0.886 -9.426
37 HZ3 TRP 4 HZ3 TRP 4 17.334 5.116 -8.680
38 HH2 TRP 4 HH2 TRP 4 17.644 3.207 -10.231
39 H PHE 5 HN PHE 5 14.659 3.625 -1.243
40 HA PHE 5 HA PHE 5 15.610 1.470 0.487
41 HB2 PHE 5 HB2 PHE 5 15.947 4.083 0.515
42 HB3 PHE 5 HB1 PHE 5 14.427 4.081 1.407
43 HD1 PHE 5 HD1 PHE 5 17.645 2.136 1.349
44 HD2 PHE 5 HD2 PHE 5 14.584 3.991 3.725
45 HE1 PHE 5 HE1 PHE 5 18.861 1.499 3.415
46 HE2 PHE 5 HE2 PHE 5 15.800 3.353 5.790
47 HZ PHE 5 HZ PHE 5 17.938 2.107 5.635
48 H SER 6 HN SER 6 12.506 2.837 -0.393
49 HA SER 6 HA SER 6 11.100 1.552 1.870
50 HB2 SER 6 HB2 SER 6 10.685 3.842 0.610
51 HB3 SER 6 HB1 SER 6 9.791 2.822 -0.517
52 HG SER 6 HG SER 6 9.178 3.582 2.041
53 H LYS 7 HN LYS 7 11.829 0.953 -1.498
54 HA LYS 7 HA LYS 7 9.755 -0.945 -2.088
55 HB2 LYS 7 HB2 LYS 7 12.374 -0.050 -3.152
56 HB3 LYS 7 HB1 LYS 7 11.867 -1.664 -3.651
57 HG2 LYS 7 HG2 LYS 7 9.616 0.127 -3.794
58 HG3 LYS 7 HG1 LYS 7 10.971 0.822 -4.684
59 HD2 LYS 7 HD2 LYS 7 10.496 -2.084 -5.087
60 HD3 LYS 7 HD1 LYS 7 9.281 -0.999 -5.763
61 HE2 LYS 7 HE2 LYS 7 12.019 -0.073 -6.275
62 HE3 LYS 7 HE1 LYS 7 11.677 -1.658 -6.994
63 HZ1 LYS 7 HZ1 LYS 7 10.940 0.558 -8.184
64 HZ2 LYS 7 HZ2 LYS 7 9.609 0.418 -7.139
65 HZ3 LYS 7 HZ3 LYS 7 9.965 -0.828 -8.237
66 H PHE 8 HN PHE 8 12.546 -1.154 -0.067
67 HA PHE 8 HA PHE 8 12.378 -4.149 -0.080
68 HB2 PHE 8 HB2 PHE 8 14.506 -2.355 -0.467
69 HB3 PHE 8 HB1 PHE 8 14.724 -2.968 1.170
70 HD1 PHE 8 HD1 PHE 8 13.519 -5.685 0.893
71 HD2 PHE 8 HD2 PHE 8 16.171 -3.517 -1.699
72 HE1 PHE 8 HE1 PHE 8 14.378 -7.825 -0.016
73 HE2 PHE 8 HE2 PHE 8 17.030 -5.658 -2.609
74 HZ PHE 8 HZ PHE 8 16.134 -7.812 -1.768
75 H LEU 9 HN LEU 9 12.658 -1.244 1.944
76 HA LEU 9 HA LEU 9 12.372 -2.802 4.432
77 HB2 LEU 9 HB2 LEU 9 12.361 0.195 3.971
78 HB3 LEU 9 HB1 LEU 9 12.772 -0.655 5.458
79 HG LEU 9 HG LEU 9 14.314 -0.808 2.852
80 HD11 LEU 9 HD11 LEU 9 15.674 0.137 5.268
81 HD12 LEU 9 HD12 LEU 9 14.338 1.183 4.783
82 HD13 LEU 9 HD13 LEU 9 15.645 0.840 3.650
83 HD21 LEU 9 HD21 LEU 9 15.975 -1.945 4.532
84 HD22 LEU 9 HD22 LEU 9 14.653 -2.897 3.857
85 HD23 LEU 9 HD23 LEU 9 14.524 -2.241 5.489
86 H GLY 10 HN GLY 10 10.477 -0.497 2.483
87 HA2 GLY 10 HA2 GLY 10 8.248 -0.260 4.235
88 HA3 GLY 10 HA1 GLY 10 8.177 -0.034 2.487
89 H ARG 11 HN ARG 11 9.251 -2.817 2.086
90 HA ARG 11 HA ARG 11 6.707 -4.195 1.927
91 HB2 ARG 11 HB2 ARG 11 9.524 -5.295 1.697
92 HB3 ARG 11 HB1 ARG 11 8.067 -5.943 0.946
93 HG2 ARG 11 HG2 ARG 11 9.571 -3.419 0.271
94 HG3 ARG 11 HG1 ARG 11 9.089 -4.734 -0.801
95 HD2 ARG 11 HD2 ARG 11 7.267 -2.673 0.488
96 HD3 ARG 11 HD1 ARG 11 7.580 -2.899 -1.243
97 HE ARG 11 HE ARG 11 6.714 -5.395 -0.329
98 HH11 ARG 11 HH11 ARG 11 4.566 -6.041 -0.427
99 HH12 ARG 11 HH12 ARG 11 3.310 -4.850 -0.480
100 HH21 ARG 11 HH21 ARG 11 5.474 -2.148 -0.376
101 HH22 ARG 11 HH22 ARG 11 3.824 -2.660 -0.452
102 H ILE 12 HN ILE 12 9.060 -3.856 4.424
103 HA ILE 12 HA ILE 12 7.905 -6.218 5.872
104 HB ILE 12 HB ILE 12 10.446 -5.234 6.879
105 HG12 ILE 12 HG12 ILE 12 10.274 -5.941 3.938
106 HG13 ILE 12 HG11 ILE 12 10.883 -4.441 4.636
107 HG21 ILE 12 HG21 ILE 12 10.881 -7.485 7.040
108 HG22 ILE 12 HG22 ILE 12 10.186 -7.838 5.458
109 HG23 ILE 12 HG23 ILE 12 9.130 -7.583 6.847
110 HD11 ILE 12 HD11 ILE 12 12.834 -5.696 4.146
111 HD12 ILE 12 HD12 ILE 12 12.121 -7.193 4.748
112 HD13 ILE 12 HD13 ILE 12 12.588 -5.922 5.877
113 H LEU 13 HN LEU 13 8.631 -2.796 5.957
114 HA LEU 13 HA LEU 13 8.184 -2.514 8.834
115 HB2 LEU 13 HB2 LEU 13 8.949 -0.920 6.449
116 HB3 LEU 13 HB1 LEU 13 8.226 -0.037 7.779
117 HG LEU 13 HG LEU 13 9.965 -1.601 9.139
118 HD11 LEU 13 HD11 LEU 13 11.140 -1.116 6.393
119 HD12 LEU 13 HD12 LEU 13 10.925 -2.667 7.205
120 HD13 LEU 13 HD13 LEU 13 12.118 -1.515 7.807
121 HD21 LEU 13 HD21 LEU 13 11.137 0.364 9.544
122 HD22 LEU 13 HD22 LEU 13 9.644 1.017 8.867
123 HD23 LEU 13 HD23 LEU 13 11.080 0.864 7.853
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 12.229 12.678 -0.816
2 H2 PHE 1 HT2 PHE 1 13.680 11.842 -0.534
3 H3 PHE 1 HT3 PHE 1 12.844 12.558 0.761
4 HA PHE 1 HA PHE 1 11.775 10.647 1.102
5 HB2 PHE 1 HB2 PHE 1 10.345 12.038 -0.599
6 HB3 PHE 1 HB1 PHE 1 10.809 10.781 -1.747
7 HD1 PHE 1 HD1 PHE 1 9.801 10.855 1.874
8 HD2 PHE 1 HD2 PHE 1 9.177 9.147 -2.017
9 HE1 PHE 1 HE1 PHE 1 8.059 9.359 2.810
10 HE2 PHE 1 HE2 PHE 1 7.436 7.650 -1.081
11 HZ PHE 1 HZ PHE 1 6.877 7.756 1.332
12 H VAL 2 HN VAL 2 11.564 8.302 0.375
13 HA VAL 2 HA VAL 2 13.707 7.507 -1.559
14 HB VAL 2 HB VAL 2 13.734 5.630 0.518
15 HG11 VAL 2 HG11 VAL 2 15.459 7.705 -0.621
16 HG12 VAL 2 HG12 VAL 2 15.866 6.071 -0.101
17 HG13 VAL 2 HG13 VAL 2 15.808 7.381 1.077
18 HG21 VAL 2 HG21 VAL 2 13.674 8.438 1.662
19 HG22 VAL 2 HG22 VAL 2 13.950 6.943 2.557
20 HG23 VAL 2 HG23 VAL 2 12.370 7.263 1.840
21 H GLN 3 HN GLN 3 12.584 6.387 -3.112
22 HA GLN 3 HA GLN 3 10.246 4.721 -2.291
23 HB2 GLN 3 HB2 GLN 3 9.473 5.100 -4.455
24 HB3 GLN 3 HB1 GLN 3 10.423 6.563 -4.196
25 HG2 GLN 3 HG2 GLN 3 12.382 5.400 -5.257
26 HG3 GLN 3 HG1 GLN 3 11.315 4.049 -5.640
27 HE21 GLN 3 HE21 GLN 3 11.233 7.654 -5.974
28 HE22 GLN 3 HE22 GLN 3 10.604 7.635 -7.550
29 H TRP 4 HN TRP 4 13.422 4.554 -3.844
30 HA TRP 4 HA TRP 4 13.213 1.766 -4.638
31 HB2 TRP 4 HB2 TRP 4 15.062 4.001 -4.750
32 HB3 TRP 4 HB1 TRP 4 15.910 2.515 -4.324
33 HD1 TRP 4 HD1 TRP 4 13.828 4.099 -7.100
34 HE1 TRP 4 HE1 TRP 4 14.099 2.699 -9.247
35 HE3 TRP 4 HE3 TRP 4 16.459 0.134 -5.242
36 HZ2 TRP 4 HZ2 TRP 4 15.276 0.225 -10.069
37 HZ3 TRP 4 HZ3 TRP 4 17.143 -1.728 -6.729
38 HH2 TRP 4 HH2 TRP 4 16.555 -1.688 -9.137
39 H PHE 5 HN PHE 5 14.518 3.498 -1.821
40 HA PHE 5 HA PHE 5 15.648 1.130 -0.565
41 HB2 PHE 5 HB2 PHE 5 16.335 3.537 -0.235
42 HB3 PHE 5 HB1 PHE 5 14.820 3.794 0.631
43 HD1 PHE 5 HD1 PHE 5 17.625 1.291 0.583
44 HD2 PHE 5 HD2 PHE 5 14.918 3.641 2.949
45 HE1 PHE 5 HE1 PHE 5 18.659 0.397 2.652
46 HE2 PHE 5 HE2 PHE 5 15.952 2.747 5.019
47 HZ PHE 5 HZ PHE 5 17.823 1.126 4.871
48 H SER 6 HN SER 6 12.563 2.867 -0.388
49 HA SER 6 HA SER 6 11.497 1.524 1.919
50 HB2 SER 6 HB2 SER 6 10.712 3.400 -0.129
51 HB3 SER 6 HB1 SER 6 9.429 2.211 0.095
52 HG SER 6 HG SER 6 10.311 4.185 1.769
53 H LYS 7 HN LYS 7 11.810 0.624 -1.450
54 HA LYS 7 HA LYS 7 9.826 -1.407 -1.651
55 HB2 LYS 7 HB2 LYS 7 12.595 -1.135 -2.861
56 HB3 LYS 7 HB1 LYS 7 11.342 -2.221 -3.464
57 HG2 LYS 7 HG2 LYS 7 10.338 0.493 -3.106
58 HG3 LYS 7 HG1 LYS 7 11.712 0.448 -4.210
59 HD2 LYS 7 HD2 LYS 7 10.542 -1.490 -5.383
60 HD3 LYS 7 HD1 LYS 7 9.119 -1.100 -4.417
61 HE2 LYS 7 HE2 LYS 7 9.411 1.318 -5.312
62 HE3 LYS 7 HE1 LYS 7 10.471 0.585 -6.532
63 HZ1 LYS 7 HZ1 LYS 7 8.521 0.178 -7.575
64 HZ2 LYS 7 HZ2 LYS 7 7.601 0.300 -6.152
65 HZ3 LYS 7 HZ3 LYS 7 8.432 -1.138 -6.508
66 H PHE 8 HN PHE 8 12.885 -1.343 0.034
67 HA PHE 8 HA PHE 8 12.716 -4.293 0.539
68 HB2 PHE 8 HB2 PHE 8 14.780 -2.427 -0.167
69 HB3 PHE 8 HB1 PHE 8 15.143 -3.081 1.426
70 HD1 PHE 8 HD1 PHE 8 16.574 -4.914 1.362
71 HD2 PHE 8 HD2 PHE 8 13.645 -4.437 -1.744
72 HE1 PHE 8 HE1 PHE 8 17.335 -7.032 0.320
73 HE2 PHE 8 HE2 PHE 8 14.406 -6.555 -2.787
74 HZ PHE 8 HZ PHE 8 16.250 -7.852 -1.754
75 H LEU 9 HN LEU 9 12.668 -1.101 1.923
76 HA LEU 9 HA LEU 9 12.897 -2.057 4.703
77 HB2 LEU 9 HB2 LEU 9 14.061 -0.084 4.325
78 HB3 LEU 9 HB1 LEU 9 12.941 0.468 3.100
79 HG LEU 9 HG LEU 9 11.292 0.982 4.789
80 HD11 LEU 9 HD11 LEU 9 13.355 0.186 6.855
81 HD12 LEU 9 HD12 LEU 9 12.038 -0.874 6.356
82 HD13 LEU 9 HD13 LEU 9 11.684 0.662 7.147
83 HD21 LEU 9 HD21 LEU 9 13.872 2.221 4.569
84 HD22 LEU 9 HD22 LEU 9 13.287 2.395 6.225
85 HD23 LEU 9 HD23 LEU 9 12.311 2.984 4.878
86 H GLY 10 HN GLY 10 10.672 -0.089 2.737
87 HA2 GLY 10 HA2 GLY 10 8.515 -0.126 4.622
88 HA3 GLY 10 HA1 GLY 10 8.344 0.232 2.903
89 H ARG 11 HN ARG 11 9.558 -2.387 2.155
90 HA ARG 11 HA ARG 11 7.200 -3.953 1.881
91 HB2 ARG 11 HB2 ARG 11 8.620 -5.062 0.524
92 HB3 ARG 11 HB1 ARG 11 9.875 -3.941 1.043
93 HG2 ARG 11 HG2 ARG 11 10.492 -5.430 2.881
94 HG3 ARG 11 HG1 ARG 11 9.182 -6.534 2.455
95 HD2 ARG 11 HD2 ARG 11 10.500 -6.238 0.052
96 HD3 ARG 11 HD1 ARG 11 11.832 -6.246 1.225
97 HE ARG 11 HE ARG 11 9.866 -8.270 1.870
98 HH11 ARG 11 HH11 ARG 11 10.420 -10.420 1.518
99 HH12 ARG 11 HH12 ARG 11 11.747 -10.805 0.474
100 HH21 ARG 11 HH21 ARG 11 12.501 -7.508 -0.264
101 HH22 ARG 11 HH22 ARG 11 12.916 -9.166 -0.526
102 H ILE 12 HN ILE 12 9.533 -3.697 4.468
103 HA ILE 12 HA ILE 12 8.744 -6.192 5.801
104 HB ILE 12 HB ILE 12 10.189 -3.825 7.007
105 HG12 ILE 12 HG12 ILE 12 11.051 -5.628 4.793
106 HG13 ILE 12 HG11 ILE 12 11.460 -3.940 5.088
107 HG21 ILE 12 HG21 ILE 12 11.304 -5.504 8.309
108 HG22 ILE 12 HG22 ILE 12 10.698 -6.798 7.277
109 HG23 ILE 12 HG23 ILE 12 9.592 -5.918 8.331
110 HD11 ILE 12 HD11 ILE 12 12.783 -4.748 7.115
111 HD12 ILE 12 HD12 ILE 12 13.453 -5.185 5.543
112 HD13 ILE 12 HD13 ILE 12 12.570 -6.384 6.487
113 H LEU 13 HN LEU 13 8.012 -2.747 6.021
114 HA LEU 13 HA LEU 13 6.428 -2.946 8.444
115 HB2 LEU 13 HB2 LEU 13 7.027 -0.927 6.288
116 HB3 LEU 13 HB1 LEU 13 5.932 -0.563 7.603
117 HG LEU 13 HG LEU 13 8.000 -1.594 8.998
118 HD11 LEU 13 HD11 LEU 13 9.133 -0.364 6.479
119 HD12 LEU 13 HD12 LEU 13 9.453 -1.973 7.130
120 HD13 LEU 13 HD13 LEU 13 10.072 -0.546 7.960
121 HD21 LEU 13 HD21 LEU 13 7.012 1.058 8.320
122 HD22 LEU 13 HD22 LEU 13 8.741 1.083 8.667
123 HD23 LEU 13 HD23 LEU 13 7.610 0.454 9.866
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 11.591 12.186 1.446
2 H2 PHE 1 HT2 PHE 1 12.946 11.161 1.411
3 H3 PHE 1 HT3 PHE 1 11.587 10.744 2.340
4 HA PHE 1 HA PHE 1 10.379 10.035 0.548
5 HB2 PHE 1 HB2 PHE 1 11.703 12.427 -0.514
6 HB3 PHE 1 HB1 PHE 1 11.491 11.171 -1.732
7 HD1 PHE 1 HD1 PHE 1 9.519 12.555 1.155
8 HD2 PHE 1 HD2 PHE 1 9.522 11.316 -2.957
9 HE1 PHE 1 HE1 PHE 1 7.114 13.136 0.979
10 HE2 PHE 1 HE2 PHE 1 7.118 11.896 -3.134
11 HZ PHE 1 HZ PHE 1 5.914 12.807 -1.167
12 H VAL 2 HN VAL 2 11.008 7.940 0.192
13 HA VAL 2 HA VAL 2 13.556 7.448 -1.278
14 HB VAL 2 HB VAL 2 13.488 5.448 0.631
15 HG11 VAL 2 HG11 VAL 2 15.301 7.183 -0.242
16 HG12 VAL 2 HG12 VAL 2 15.509 6.364 1.306
17 HG13 VAL 2 HG13 VAL 2 14.894 8.016 1.259
18 HG21 VAL 2 HG21 VAL 2 11.631 6.728 1.755
19 HG22 VAL 2 HG22 VAL 2 12.764 8.058 1.993
20 HG23 VAL 2 HG23 VAL 2 13.056 6.502 2.769
21 H GLN 3 HN GLN 3 12.738 6.414 -3.077
22 HA GLN 3 HA GLN 3 10.450 4.544 -2.801
23 HB2 GLN 3 HB2 GLN 3 10.359 4.739 -5.197
24 HB3 GLN 3 HB1 GLN 3 10.715 6.354 -4.585
25 HG2 GLN 3 HG2 GLN 3 13.139 5.933 -4.977
26 HG3 GLN 3 HG1 GLN 3 12.731 4.363 -5.670
27 HE21 GLN 3 HE21 GLN 3 12.980 7.755 -6.349
28 HE22 GLN 3 HE22 GLN 3 12.350 7.703 -7.924
29 H TRP 4 HN TRP 4 13.885 4.568 -3.700
30 HA TRP 4 HA TRP 4 13.994 1.759 -4.427
31 HB2 TRP 4 HB2 TRP 4 15.560 4.019 -4.686
32 HB3 TRP 4 HB1 TRP 4 16.450 3.079 -3.488
33 HD1 TRP 4 HD1 TRP 4 16.979 0.462 -4.206
34 HE1 TRP 4 HE1 TRP 4 17.585 -0.486 -6.526
35 HE3 TRP 4 HE3 TRP 4 15.297 4.260 -7.175
36 HZ2 TRP 4 HZ2 TRP 4 17.382 0.269 -9.278
37 HZ3 TRP 4 HZ3 TRP 4 15.516 4.121 -9.639
38 HH2 TRP 4 HH2 TRP 4 16.555 2.132 -10.694
39 H PHE 5 HN PHE 5 14.696 3.634 -1.493
40 HA PHE 5 HA PHE 5 15.706 1.361 0.020
41 HB2 PHE 5 HB2 PHE 5 15.936 4.020 0.211
42 HB3 PHE 5 HB1 PHE 5 14.553 3.818 1.285
43 HD1 PHE 5 HD1 PHE 5 17.571 1.688 0.626
44 HD2 PHE 5 HD2 PHE 5 15.291 3.921 3.501
45 HE1 PHE 5 HE1 PHE 5 19.088 0.916 2.429
46 HE2 PHE 5 HE2 PHE 5 16.807 3.148 5.304
47 HZ PHE 5 HZ PHE 5 18.707 1.646 4.769
48 H SER 6 HN SER 6 12.551 2.631 -0.718
49 HA SER 6 HA SER 6 11.225 1.362 1.584
50 HB2 SER 6 HB2 SER 6 9.203 2.247 0.419
51 HB3 SER 6 HB1 SER 6 10.445 3.484 0.619
52 HG SER 6 HG SER 6 10.057 1.908 -1.705
53 H LYS 7 HN LYS 7 12.041 0.557 -1.716
54 HA LYS 7 HA LYS 7 10.088 -1.462 -2.245
55 HB2 LYS 7 HB2 LYS 7 12.870 -0.783 -3.154
56 HB3 LYS 7 HB1 LYS 7 12.122 -2.281 -3.711
57 HG2 LYS 7 HG2 LYS 7 10.082 -0.491 -4.077
58 HG3 LYS 7 HG1 LYS 7 11.488 0.517 -4.415
59 HD2 LYS 7 HD2 LYS 7 12.302 -1.395 -5.920
60 HD3 LYS 7 HD1 LYS 7 10.676 -2.061 -5.769
61 HE2 LYS 7 HE2 LYS 7 9.693 -0.242 -6.904
62 HE3 LYS 7 HE1 LYS 7 11.083 0.817 -6.598
63 HZ1 LYS 7 HZ1 LYS 7 12.439 -0.693 -7.957
64 HZ2 LYS 7 HZ2 LYS 7 11.165 -0.020 -8.858
65 HZ3 LYS 7 HZ3 LYS 7 11.064 -1.623 -8.304
66 H PHE 8 HN PHE 8 12.797 -1.421 -0.086
67 HA PHE 8 HA PHE 8 12.649 -4.402 0.204
68 HB2 PHE 8 HB2 PHE 8 14.777 -2.604 -0.237
69 HB3 PHE 8 HB1 PHE 8 14.919 -3.093 1.449
70 HD1 PHE 8 HD1 PHE 8 13.743 -5.841 1.299
71 HD2 PHE 8 HD2 PHE 8 16.520 -3.827 -1.286
72 HE1 PHE 8 HE1 PHE 8 14.665 -8.030 0.584
73 HE2 PHE 8 HE2 PHE 8 17.442 -6.015 -2.001
74 HZ PHE 8 HZ PHE 8 16.514 -8.117 -1.067
75 H LEU 9 HN LEU 9 12.770 -1.299 1.920
76 HA LEU 9 HA LEU 9 12.356 -2.601 4.540
77 HB2 LEU 9 HB2 LEU 9 12.404 0.331 3.773
78 HB3 LEU 9 HB1 LEU 9 12.714 -0.360 5.364
79 HG LEU 9 HG LEU 9 14.405 -0.806 2.888
80 HD11 LEU 9 HD11 LEU 9 16.062 0.568 3.997
81 HD12 LEU 9 HD12 LEU 9 15.061 0.684 5.445
82 HD13 LEU 9 HD13 LEU 9 14.549 1.474 3.953
83 HD21 LEU 9 HD21 LEU 9 14.423 -1.945 5.667
84 HD22 LEU 9 HD22 LEU 9 15.951 -1.728 4.813
85 HD23 LEU 9 HD23 LEU 9 14.698 -2.762 4.128
86 H GLY 10 HN GLY 10 10.604 -0.437 2.304
87 HA2 GLY 10 HA2 GLY 10 8.283 -0.033 3.881
88 HA3 GLY 10 HA1 GLY 10 8.306 0.011 2.118
89 H ARG 11 HN ARG 11 9.371 -2.811 2.082
90 HA ARG 11 HA ARG 11 6.820 -4.178 1.925
91 HB2 ARG 11 HB2 ARG 11 9.625 -5.329 1.967
92 HB3 ARG 11 HB1 ARG 11 8.200 -6.026 1.199
93 HG2 ARG 11 HG2 ARG 11 9.786 -3.597 0.369
94 HG3 ARG 11 HG1 ARG 11 9.360 -5.012 -0.591
95 HD2 ARG 11 HD2 ARG 11 7.486 -2.818 0.358
96 HD3 ARG 11 HD1 ARG 11 7.897 -3.234 -1.317
97 HE ARG 11 HE ARG 11 6.956 -5.617 -0.279
98 HH11 ARG 11 HH11 ARG 11 4.799 -6.250 -0.320
99 HH12 ARG 11 HH12 ARG 11 3.553 -5.049 -0.392
100 HH21 ARG 11 HH21 ARG 11 5.739 -2.365 -0.412
101 HH22 ARG 11 HH22 ARG 11 4.085 -2.865 -0.444
102 H ILE 12 HN ILE 12 9.051 -3.596 4.488
103 HA ILE 12 HA ILE 12 7.788 -5.777 6.119
104 HB ILE 12 HB ILE 12 10.285 -4.709 7.152
105 HG12 ILE 12 HG12 ILE 12 10.260 -5.714 4.294
106 HG13 ILE 12 HG11 ILE 12 10.859 -4.159 4.869
107 HG21 ILE 12 HG21 ILE 12 10.894 -7.061 7.165
108 HG22 ILE 12 HG22 ILE 12 9.599 -7.441 6.031
109 HG23 ILE 12 HG23 ILE 12 9.211 -6.917 7.669
110 HD11 ILE 12 HD11 ILE 12 12.557 -5.379 6.245
111 HD12 ILE 12 HD12 ILE 12 12.753 -5.647 4.513
112 HD13 ILE 12 HD13 ILE 12 12.007 -6.889 5.519
113 H LEU 13 HN LEU 13 8.567 -2.369 5.881
114 HA LEU 13 HA LEU 13 7.966 -1.773 8.679
115 HB2 LEU 13 HB2 LEU 13 8.864 -0.447 6.177
116 HB3 LEU 13 HB1 LEU 13 8.085 0.575 7.369
117 HG LEU 13 HG LEU 13 9.744 -0.849 8.967
118 HD11 LEU 13 HD11 LEU 13 10.838 -2.106 7.264
119 HD12 LEU 13 HD12 LEU 13 11.971 -0.823 7.693
120 HD13 LEU 13 HD13 LEU 13 11.002 -0.691 6.225
121 HD21 LEU 13 HD21 LEU 13 11.129 1.120 9.043
122 HD22 LEU 13 HD22 LEU 13 9.483 1.661 8.714
123 HD23 LEU 13 HD23 LEU 13 10.661 1.578 7.405
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 10.613 10.417 1.879
2 H2 PHE 1 HT2 PHE 1 11.646 11.728 1.563
3 H3 PHE 1 HT3 PHE 1 12.283 10.161 1.724
4 HA PHE 1 HA PHE 1 10.286 10.233 -0.310
5 HB2 PHE 1 HB2 PHE 1 12.572 12.214 -0.311
6 HB3 PHE 1 HB1 PHE 1 11.760 11.710 -1.793
7 HD1 PHE 1 HD1 PHE 1 9.047 11.689 -1.512
8 HD2 PHE 1 HD2 PHE 1 11.794 14.178 0.660
9 HE1 PHE 1 HE1 PHE 1 7.225 13.310 -1.065
10 HE2 PHE 1 HE2 PHE 1 9.971 15.798 1.108
11 HZ PHE 1 HZ PHE 1 7.687 15.365 0.246
12 H VAL 2 HN VAL 2 11.101 7.970 0.132
13 HA VAL 2 HA VAL 2 13.544 7.430 -1.509
14 HB VAL 2 HB VAL 2 13.340 5.552 0.639
15 HG11 VAL 2 HG11 VAL 2 15.238 7.692 -0.274
16 HG12 VAL 2 HG12 VAL 2 15.476 5.946 -0.208
17 HG13 VAL 2 HG13 VAL 2 15.517 6.897 1.276
18 HG21 VAL 2 HG21 VAL 2 13.286 8.456 1.519
19 HG22 VAL 2 HG22 VAL 2 13.550 7.065 2.570
20 HG23 VAL 2 HG23 VAL 2 11.990 7.288 1.780
21 H GLN 3 HN GLN 3 12.764 6.217 -3.192
22 HA GLN 3 HA GLN 3 10.469 4.375 -2.730
23 HB2 GLN 3 HB2 GLN 3 10.051 4.686 -4.989
24 HB3 GLN 3 HB1 GLN 3 10.919 6.184 -4.649
25 HG2 GLN 3 HG2 GLN 3 13.047 5.017 -5.314
26 HG3 GLN 3 HG1 GLN 3 12.072 3.636 -5.816
27 HE21 GLN 3 HE21 GLN 3 10.177 4.322 -7.401
28 HE22 GLN 3 HE22 GLN 3 10.591 5.455 -8.595
29 H TRP 4 HN TRP 4 13.880 4.395 -3.669
30 HA TRP 4 HA TRP 4 13.966 1.552 -4.336
31 HB2 TRP 4 HB2 TRP 4 15.584 3.891 -4.545
32 HB3 TRP 4 HB1 TRP 4 16.518 2.687 -3.658
33 HD1 TRP 4 HD1 TRP 4 15.106 3.465 -7.067
34 HE1 TRP 4 HE1 TRP 4 15.888 1.673 -8.748
35 HE3 TRP 4 HE3 TRP 4 17.184 0.087 -3.852
36 HZ2 TRP 4 HZ2 TRP 4 17.220 -0.861 -8.730
37 HZ3 TRP 4 HZ3 TRP 4 18.200 -2.005 -4.707
38 HH2 TRP 4 HH2 TRP 4 18.222 -2.483 -7.140
39 H PHE 5 HN PHE 5 14.781 3.561 -1.520
40 HA PHE 5 HA PHE 5 15.874 1.354 0.041
41 HB2 PHE 5 HB2 PHE 5 16.311 3.895 0.177
42 HB3 PHE 5 HB1 PHE 5 14.780 3.988 1.047
43 HD1 PHE 5 HD1 PHE 5 15.086 4.140 3.351
44 HD2 PHE 5 HD2 PHE 5 17.686 1.606 1.055
45 HE1 PHE 5 HE1 PHE 5 16.230 3.429 5.433
46 HE2 PHE 5 HE2 PHE 5 18.830 0.895 3.137
47 HZ PHE 5 HZ PHE 5 18.102 1.806 5.325
48 H SER 6 HN SER 6 12.699 2.799 -0.426
49 HA SER 6 HA SER 6 11.499 1.469 1.900
50 HB2 SER 6 HB2 SER 6 10.601 3.175 -0.414
51 HB3 SER 6 HB1 SER 6 9.405 2.373 0.605
52 HG SER 6 HG SER 6 9.708 3.947 1.934
53 H LYS 7 HN LYS 7 11.920 0.844 -1.526
54 HA LYS 7 HA LYS 7 9.896 -1.093 -1.981
55 HB2 LYS 7 HB2 LYS 7 12.506 -0.263 -3.096
56 HB3 LYS 7 HB1 LYS 7 12.006 -1.902 -3.514
57 HG2 LYS 7 HG2 LYS 7 9.754 -0.109 -3.729
58 HG3 LYS 7 HG1 LYS 7 11.103 0.515 -4.679
59 HD2 LYS 7 HD2 LYS 7 10.877 -1.118 -6.222
60 HD3 LYS 7 HD1 LYS 7 10.814 -2.370 -4.982
61 HE2 LYS 7 HE2 LYS 7 8.528 -2.443 -5.021
62 HE3 LYS 7 HE1 LYS 7 8.387 -0.679 -5.141
63 HZ1 LYS 7 HZ1 LYS 7 9.556 -2.153 -7.394
64 HZ2 LYS 7 HZ2 LYS 7 8.647 -0.718 -7.401
65 HZ3 LYS 7 HZ3 LYS 7 7.873 -2.216 -7.198
66 H PHE 8 HN PHE 8 12.808 -1.291 -0.089
67 HA PHE 8 HA PHE 8 12.558 -4.273 0.054
68 HB2 PHE 8 HB2 PHE 8 14.704 -2.499 -0.361
69 HB3 PHE 8 HB1 PHE 8 14.903 -3.085 1.288
70 HD1 PHE 8 HD1 PHE 8 15.123 -5.514 1.747
71 HD2 PHE 8 HD2 PHE 8 14.926 -3.975 -2.259
72 HE1 PHE 8 HE1 PHE 8 15.976 -7.673 0.875
73 HE2 PHE 8 HE2 PHE 8 15.778 -6.136 -3.130
74 HZ PHE 8 HZ PHE 8 16.303 -7.984 -1.563
75 H LEU 9 HN LEU 9 12.709 -1.283 1.928
76 HA LEU 9 HA LEU 9 12.378 -2.760 4.477
77 HB2 LEU 9 HB2 LEU 9 12.574 0.212 3.907
78 HB3 LEU 9 HB1 LEU 9 12.865 -0.595 5.445
79 HG LEU 9 HG LEU 9 14.493 -0.989 2.918
80 HD11 LEU 9 HD11 LEU 9 15.938 -0.009 5.215
81 HD12 LEU 9 HD12 LEU 9 14.574 1.057 4.873
82 HD13 LEU 9 HD13 LEU 9 15.770 0.727 3.620
83 HD21 LEU 9 HD21 LEU 9 15.952 -1.998 4.996
84 HD22 LEU 9 HD22 LEU 9 14.924 -2.977 3.948
85 HD23 LEU 9 HD23 LEU 9 14.315 -2.412 5.503
86 H GLY 10 HN GLY 10 10.734 -0.160 2.635
87 HA2 GLY 10 HA2 GLY 10 8.467 0.126 4.281
88 HA3 GLY 10 HA1 GLY 10 8.458 0.414 2.542
89 H ARG 11 HN ARG 11 9.347 -2.472 2.145
90 HA ARG 11 HA ARG 11 6.684 -3.604 1.877
91 HB2 ARG 11 HB2 ARG 11 7.776 -5.049 0.492
92 HB3 ARG 11 HB1 ARG 11 9.056 -3.846 0.613
93 HG2 ARG 11 HG2 ARG 11 10.082 -5.109 2.454
94 HG3 ARG 11 HG1 ARG 11 8.801 -6.321 2.345
95 HD2 ARG 11 HD2 ARG 11 9.871 -5.873 -0.275
96 HD3 ARG 11 HD1 ARG 11 11.208 -6.230 0.838
97 HE ARG 11 HE ARG 11 9.109 -8.086 0.056
98 HH11 ARG 11 HH11 ARG 11 9.091 -10.095 1.060
99 HH12 ARG 11 HH12 ARG 11 9.986 -10.334 2.522
100 HH21 ARG 11 HH21 ARG 11 11.185 -7.089 2.659
101 HH22 ARG 11 HH22 ARG 11 11.163 -8.643 3.419
102 H ILE 12 HN ILE 12 9.169 -3.706 4.311
103 HA ILE 12 HA ILE 12 7.830 -6.013 5.674
104 HB ILE 12 HB ILE 12 10.353 -4.771 6.672
105 HG12 ILE 12 HG12 ILE 12 10.105 -6.219 4.033
106 HG13 ILE 12 HG11 ILE 12 10.852 -4.651 4.337
107 HG21 ILE 12 HG21 ILE 12 9.152 -6.886 7.531
108 HG22 ILE 12 HG22 ILE 12 10.887 -7.010 7.238
109 HG23 ILE 12 HG23 ILE 12 9.745 -7.664 6.064
110 HD11 ILE 12 HD11 ILE 12 11.861 -7.390 5.107
111 HD12 ILE 12 HD12 ILE 12 12.449 -5.935 5.912
112 HD13 ILE 12 HD13 ILE 12 12.686 -6.139 4.176
113 H LEU 13 HN LEU 13 8.652 -2.612 5.937
114 HA LEU 13 HA LEU 13 7.882 -2.340 8.729
115 HB2 LEU 13 HB2 LEU 13 8.763 -0.661 6.410
116 HB3 LEU 13 HB1 LEU 13 8.128 0.124 7.840
117 HG LEU 13 HG LEU 13 9.811 -1.570 9.037
118 HD11 LEU 13 HD11 LEU 13 11.094 -1.024 6.344
119 HD12 LEU 13 HD12 LEU 13 10.483 -2.593 6.870
120 HD13 LEU 13 HD13 LEU 13 11.849 -1.854 7.706
121 HD21 LEU 13 HD21 LEU 13 10.074 0.717 9.497
122 HD22 LEU 13 HD22 LEU 13 10.309 1.125 7.797
123 HD23 LEU 13 HD23 LEU 13 11.592 0.314 8.694
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 12.894 12.155 0.672
2 H2 PHE 1 HT2 PHE 1 12.535 10.874 1.728
3 H3 PHE 1 HT3 PHE 1 11.387 12.095 1.447
4 HA PHE 1 HA PHE 1 10.591 10.396 0.105
5 HB2 PHE 1 HB2 PHE 1 12.041 12.639 -1.013
6 HB3 PHE 1 HB1 PHE 1 12.059 11.285 -2.144
7 HD1 PHE 1 HD1 PHE 1 9.771 10.060 -2.516
8 HD2 PHE 1 HD2 PHE 1 10.152 14.020 -0.894
9 HE1 PHE 1 HE1 PHE 1 7.415 10.536 -3.123
10 HE2 PHE 1 HE2 PHE 1 7.795 14.495 -1.502
11 HZ PHE 1 HZ PHE 1 6.427 12.754 -2.618
12 H VAL 2 HN VAL 2 11.048 8.241 -0.126
13 HA VAL 2 HA VAL 2 13.691 7.448 -1.261
14 HB VAL 2 HB VAL 2 13.171 5.569 0.720
15 HG11 VAL 2 HG11 VAL 2 15.077 7.688 0.143
16 HG12 VAL 2 HG12 VAL 2 15.355 6.111 0.883
17 HG13 VAL 2 HG13 VAL 2 14.863 7.480 1.881
18 HG21 VAL 2 HG21 VAL 2 12.637 6.798 2.731
19 HG22 VAL 2 HG22 VAL 2 11.381 7.151 1.544
20 HG23 VAL 2 HG23 VAL 2 12.654 8.330 1.858
21 H GLN 3 HN GLN 3 13.014 6.385 -3.098
22 HA GLN 3 HA GLN 3 10.570 4.685 -2.980
23 HB2 GLN 3 HB2 GLN 3 10.607 4.893 -5.360
24 HB3 GLN 3 HB1 GLN 3 11.078 6.479 -4.748
25 HG2 GLN 3 HG2 GLN 3 13.497 5.699 -4.956
26 HG3 GLN 3 HG1 GLN 3 12.880 4.311 -5.854
27 HE21 GLN 3 HE21 GLN 3 11.262 5.041 -7.722
28 HE22 GLN 3 HE22 GLN 3 11.763 6.382 -8.633
29 H TRP 4 HN TRP 4 14.061 4.525 -3.505
30 HA TRP 4 HA TRP 4 14.036 1.681 -4.233
31 HB2 TRP 4 HB2 TRP 4 15.795 3.940 -4.287
32 HB3 TRP 4 HB1 TRP 4 16.598 2.645 -3.400
33 HD1 TRP 4 HD1 TRP 4 16.012 3.814 -6.811
34 HE1 TRP 4 HE1 TRP 4 16.550 1.970 -8.531
35 HE3 TRP 4 HE3 TRP 4 16.299 -0.231 -3.706
36 HZ2 TRP 4 HZ2 TRP 4 17.036 -0.848 -8.582
37 HZ3 TRP 4 HZ3 TRP 4 16.802 -2.481 -4.617
38 HH2 TRP 4 HH2 TRP 4 17.170 -2.794 -7.049
39 H PHE 5 HN PHE 5 14.546 3.640 -1.343
40 HA PHE 5 HA PHE 5 15.556 1.427 0.279
41 HB2 PHE 5 HB2 PHE 5 15.727 4.115 0.380
42 HB3 PHE 5 HB1 PHE 5 14.357 3.885 1.466
43 HD1 PHE 5 HD1 PHE 5 15.020 3.915 3.700
44 HD2 PHE 5 HD2 PHE 5 17.519 1.971 0.797
45 HE1 PHE 5 HE1 PHE 5 16.573 3.217 5.504
46 HE2 PHE 5 HE2 PHE 5 19.071 1.273 2.599
47 HZ PHE 5 HZ PHE 5 18.597 1.895 4.953
48 H SER 6 HN SER 6 12.428 2.705 -0.586
49 HA SER 6 HA SER 6 11.045 1.421 1.686
50 HB2 SER 6 HB2 SER 6 10.590 3.618 0.152
51 HB3 SER 6 HB1 SER 6 9.574 2.444 -0.684
52 HG SER 6 HG SER 6 8.245 3.040 0.858
53 H LYS 7 HN LYS 7 11.905 0.699 -1.615
54 HA LYS 7 HA LYS 7 9.907 -1.285 -2.196
55 HB2 LYS 7 HB2 LYS 7 12.680 -0.595 -3.150
56 HB3 LYS 7 HB1 LYS 7 11.847 -2.011 -3.792
57 HG2 LYS 7 HG2 LYS 7 10.108 0.331 -3.723
58 HG3 LYS 7 HG1 LYS 7 11.553 0.614 -4.694
59 HD2 LYS 7 HD2 LYS 7 11.107 -1.348 -6.040
60 HD3 LYS 7 HD1 LYS 7 9.783 -1.829 -4.981
61 HE2 LYS 7 HE2 LYS 7 8.680 0.411 -5.576
62 HE3 LYS 7 HE1 LYS 7 9.891 0.543 -6.863
63 HZ1 LYS 7 HZ1 LYS 7 9.069 -2.031 -7.043
64 HZ2 LYS 7 HZ2 LYS 7 8.505 -0.765 -8.025
65 HZ3 LYS 7 HZ3 LYS 7 7.626 -1.233 -6.647
66 H PHE 8 HN PHE 8 12.737 -1.327 -0.174
67 HA PHE 8 HA PHE 8 12.598 -4.317 0.004
68 HB2 PHE 8 HB2 PHE 8 14.699 -2.476 -0.410
69 HB3 PHE 8 HB1 PHE 8 14.899 -3.062 1.239
70 HD1 PHE 8 HD1 PHE 8 14.679 -5.651 1.582
71 HD2 PHE 8 HD2 PHE 8 15.468 -3.775 -2.200
72 HE1 PHE 8 HE1 PHE 8 15.586 -7.789 0.711
73 HE2 PHE 8 HE2 PHE 8 16.374 -5.914 -3.071
74 HZ PHE 8 HZ PHE 8 16.434 -7.920 -1.615
75 H LEU 9 HN LEU 9 12.688 -1.287 1.833
76 HA LEU 9 HA LEU 9 12.404 -2.695 4.416
77 HB2 LEU 9 HB2 LEU 9 12.345 0.259 3.732
78 HB3 LEU 9 HB1 LEU 9 12.680 -0.457 5.307
79 HG LEU 9 HG LEU 9 14.376 -0.726 2.811
80 HD11 LEU 9 HD11 LEU 9 14.438 1.440 4.176
81 HD12 LEU 9 HD12 LEU 9 15.981 0.611 3.968
82 HD13 LEU 9 HD13 LEU 9 15.103 0.472 5.492
83 HD21 LEU 9 HD21 LEU 9 15.824 -1.709 4.946
84 HD22 LEU 9 HD22 LEU 9 14.986 -2.699 3.750
85 HD23 LEU 9 HD23 LEU 9 14.199 -2.308 5.280
86 H GLY 10 HN GLY 10 10.541 -0.384 2.416
87 HA2 GLY 10 HA2 GLY 10 8.255 -0.130 4.017
88 HA3 GLY 10 HA1 GLY 10 8.215 -0.074 2.255
89 H ARG 11 HN ARG 11 9.345 -2.875 2.163
90 HA ARG 11 HA ARG 11 6.818 -4.284 2.087
91 HB2 ARG 11 HB2 ARG 11 8.068 -5.862 0.980
92 HB3 ARG 11 HB1 ARG 11 9.147 -4.478 0.811
93 HG2 ARG 11 HG2 ARG 11 10.331 -5.207 2.884
94 HG3 ARG 11 HG1 ARG 11 9.315 -6.651 2.914
95 HD2 ARG 11 HD2 ARG 11 10.422 -6.262 0.272
96 HD3 ARG 11 HD1 ARG 11 11.721 -6.327 1.480
97 HE ARG 11 HE ARG 11 9.905 -8.516 0.790
98 HH11 ARG 11 HH11 ARG 11 10.202 -10.445 1.900
99 HH12 ARG 11 HH12 ARG 11 11.163 -10.469 3.342
100 HH21 ARG 11 HH21 ARG 11 11.890 -7.085 3.258
101 HH22 ARG 11 HH22 ARG 11 12.111 -8.578 4.103
102 H ILE 12 HN ILE 12 9.245 -3.807 4.530
103 HA ILE 12 HA ILE 12 8.115 -6.044 6.172
104 HB ILE 12 HB ILE 12 10.495 -4.470 7.032
105 HG12 ILE 12 HG12 ILE 12 10.456 -6.239 4.580
106 HG13 ILE 12 HG11 ILE 12 11.010 -4.570 4.688
107 HG21 ILE 12 HG21 ILE 12 9.642 -6.468 8.241
108 HG22 ILE 12 HG22 ILE 12 11.289 -6.701 7.654
109 HG23 ILE 12 HG23 ILE 12 9.936 -7.441 6.799
110 HD11 ILE 12 HD11 ILE 12 12.627 -5.602 6.536
111 HD12 ILE 12 HD12 ILE 12 13.047 -5.660 4.824
112 HD13 ILE 12 HD13 ILE 12 12.353 -7.078 5.610
113 H LEU 13 HN LEU 13 8.651 -2.569 6.024
114 HA LEU 13 HA LEU 13 7.840 -2.005 8.747
115 HB2 LEU 13 HB2 LEU 13 8.463 -0.564 6.192
116 HB3 LEU 13 HB1 LEU 13 7.768 0.323 7.534
117 HG LEU 13 HG LEU 13 9.667 -0.956 8.885
118 HD11 LEU 13 HD11 LEU 13 11.686 -1.249 7.541
119 HD12 LEU 13 HD12 LEU 13 10.834 -0.695 6.100
120 HD13 LEU 13 HD13 LEU 13 10.385 -2.224 6.855
121 HD21 LEU 13 HD21 LEU 13 10.453 1.149 9.107
122 HD22 LEU 13 HD22 LEU 13 9.315 1.626 7.848
123 HD23 LEU 13 HD23 LEU 13 10.970 1.188 7.421
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 9.943 11.255 0.437
2 H2 PHE 1 HT2 PHE 1 10.172 9.681 -0.159
3 H3 PHE 1 HT3 PHE 1 10.817 11.012 -0.995
4 HA PHE 1 HA PHE 1 12.390 11.446 0.745
5 HB2 PHE 1 HB2 PHE 1 10.371 10.410 2.274
6 HB3 PHE 1 HB1 PHE 1 11.530 9.081 2.305
7 HD1 PHE 1 HD1 PHE 1 12.979 9.118 4.120
8 HD2 PHE 1 HD2 PHE 1 11.693 12.836 2.398
9 HE1 PHE 1 HE1 PHE 1 14.356 10.358 5.769
10 HE2 PHE 1 HE2 PHE 1 13.070 14.077 4.047
11 HZ PHE 1 HZ PHE 1 14.401 12.837 5.732
12 H VAL 2 HN VAL 2 11.420 7.995 0.601
13 HA VAL 2 HA VAL 2 13.913 7.437 -0.959
14 HB VAL 2 HB VAL 2 13.406 5.296 0.845
15 HG11 VAL 2 HG11 VAL 2 15.625 5.760 1.586
16 HG12 VAL 2 HG12 VAL 2 15.492 7.465 1.152
17 HG13 VAL 2 HG13 VAL 2 15.586 6.237 -0.112
18 HG21 VAL 2 HG21 VAL 2 13.437 8.008 2.205
19 HG22 VAL 2 HG22 VAL 2 13.491 6.441 3.013
20 HG23 VAL 2 HG23 VAL 2 12.043 6.929 2.132
21 H GLN 3 HN GLN 3 13.211 6.482 -2.837
22 HA GLN 3 HA GLN 3 10.728 4.817 -2.749
23 HB2 GLN 3 HB2 GLN 3 10.617 5.309 -5.131
24 HB3 GLN 3 HB1 GLN 3 10.902 6.815 -4.260
25 HG2 GLN 3 HG2 GLN 3 13.465 5.948 -4.691
26 HG3 GLN 3 HG1 GLN 3 12.654 5.369 -6.145
27 HE21 GLN 3 HE21 GLN 3 11.579 7.012 -7.522
28 HE22 GLN 3 HE22 GLN 3 12.023 8.647 -7.412
29 H TRP 4 HN TRP 4 14.168 4.730 -3.371
30 HA TRP 4 HA TRP 4 14.100 2.093 -4.678
31 HB2 TRP 4 HB2 TRP 4 15.966 4.278 -4.120
32 HB3 TRP 4 HB1 TRP 4 16.700 2.696 -3.864
33 HD1 TRP 4 HD1 TRP 4 16.626 0.966 -5.959
34 HE1 TRP 4 HE1 TRP 4 16.624 1.427 -8.496
35 HE3 TRP 4 HE3 TRP 4 15.234 5.881 -5.962
36 HZ2 TRP 4 HZ2 TRP 4 16.102 3.594 -10.289
37 HZ3 TRP 4 HZ3 TRP 4 14.993 7.116 -8.096
38 HH2 TRP 4 HH2 TRP 4 15.425 5.981 -10.257
39 H PHE 5 HN PHE 5 14.661 3.456 -1.476
40 HA PHE 5 HA PHE 5 15.579 0.902 -0.338
41 HB2 PHE 5 HB2 PHE 5 16.328 3.244 0.318
42 HB3 PHE 5 HB1 PHE 5 14.731 3.472 1.031
43 HD1 PHE 5 HD1 PHE 5 14.729 3.224 3.343
44 HD2 PHE 5 HD2 PHE 5 17.252 0.681 0.971
45 HE1 PHE 5 HE1 PHE 5 15.480 2.054 5.396
46 HE2 PHE 5 HE2 PHE 5 18.003 -0.488 3.025
47 HZ PHE 5 HZ PHE 5 17.118 0.198 5.236
48 H SER 6 HN SER 6 12.613 2.832 -0.492
49 HA SER 6 HA SER 6 11.090 1.492 1.512
50 HB2 SER 6 HB2 SER 6 10.236 3.502 0.623
51 HB3 SER 6 HB1 SER 6 10.503 2.983 -1.041
52 HG SER 6 HG SER 6 8.286 2.826 0.264
53 H LYS 7 HN LYS 7 11.855 0.638 -1.822
54 HA LYS 7 HA LYS 7 9.929 -1.392 -2.295
55 HB2 LYS 7 HB2 LYS 7 12.775 -0.880 -3.155
56 HB3 LYS 7 HB1 LYS 7 11.865 -2.253 -3.784
57 HG2 LYS 7 HG2 LYS 7 10.071 -0.164 -4.047
58 HG3 LYS 7 HG1 LYS 7 11.615 0.603 -4.417
59 HD2 LYS 7 HD2 LYS 7 11.866 -0.564 -6.355
60 HD3 LYS 7 HD1 LYS 7 11.250 -2.056 -5.645
61 HE2 LYS 7 HE2 LYS 7 9.287 0.161 -6.061
62 HE3 LYS 7 HE1 LYS 7 9.844 -0.721 -7.495
63 HZ1 LYS 7 HZ1 LYS 7 7.910 -1.762 -6.315
64 HZ2 LYS 7 HZ2 LYS 7 8.937 -2.047 -4.993
65 HZ3 LYS 7 HZ3 LYS 7 9.254 -2.781 -6.492
66 H PHE 8 HN PHE 8 12.651 -1.337 -0.143
67 HA PHE 8 HA PHE 8 12.413 -4.297 0.289
68 HB2 PHE 8 HB2 PHE 8 14.587 -2.501 -0.241
69 HB3 PHE 8 HB1 PHE 8 14.793 -3.160 1.377
70 HD1 PHE 8 HD1 PHE 8 15.010 -3.831 -2.162
71 HD2 PHE 8 HD2 PHE 8 14.677 -5.688 1.696
72 HE1 PHE 8 HE1 PHE 8 15.782 -5.980 -3.129
73 HE2 PHE 8 HE2 PHE 8 15.450 -7.836 0.731
74 HZ PHE 8 HZ PHE 8 16.003 -7.983 -1.683
75 H LEU 9 HN LEU 9 12.420 -1.098 1.690
76 HA LEU 9 HA LEU 9 12.433 -2.017 4.473
77 HB2 LEU 9 HB2 LEU 9 13.507 0.007 4.175
78 HB3 LEU 9 HB1 LEU 9 12.488 0.473 2.833
79 HG LEU 9 HG LEU 9 10.669 0.976 4.320
80 HD11 LEU 9 HD11 LEU 9 11.609 0.916 6.897
81 HD12 LEU 9 HD12 LEU 9 12.350 -0.532 6.214
82 HD13 LEU 9 HD13 LEU 9 10.598 -0.338 6.180
83 HD21 LEU 9 HD21 LEU 9 11.519 2.967 5.195
84 HD22 LEU 9 HD22 LEU 9 12.745 2.552 3.995
85 HD23 LEU 9 HD23 LEU 9 13.028 2.210 5.702
86 H GLY 10 HN GLY 10 10.228 -0.229 2.319
87 HA2 GLY 10 HA2 GLY 10 7.981 -0.161 4.041
88 HA3 GLY 10 HA1 GLY 10 7.873 -0.121 2.281
89 H ARG 11 HN ARG 11 9.309 -2.770 2.151
90 HA ARG 11 HA ARG 11 6.984 -4.485 2.128
91 HB2 ARG 11 HB2 ARG 11 9.927 -5.213 2.102
92 HB3 ARG 11 HB1 ARG 11 8.599 -6.145 1.412
93 HG2 ARG 11 HG2 ARG 11 9.787 -3.553 0.439
94 HG3 ARG 11 HG1 ARG 11 9.512 -5.045 -0.459
95 HD2 ARG 11 HD2 ARG 11 7.412 -3.077 0.506
96 HD3 ARG 11 HD1 ARG 11 7.803 -3.500 -1.171
97 HE ARG 11 HE ARG 11 7.221 -5.945 -0.044
98 HH11 ARG 11 HH11 ARG 11 5.168 -6.849 0.097
99 HH12 ARG 11 HH12 ARG 11 3.774 -5.820 0.100
100 HH21 ARG 11 HH21 ARG 11 5.588 -2.879 -0.139
101 HH22 ARG 11 HH22 ARG 11 4.014 -3.587 -0.031
102 H ILE 12 HN ILE 12 9.168 -3.556 4.623
103 HA ILE 12 HA ILE 12 8.350 -5.913 6.285
104 HB ILE 12 HB ILE 12 10.574 -4.205 7.192
105 HG12 ILE 12 HG12 ILE 12 10.754 -5.690 4.555
106 HG13 ILE 12 HG11 ILE 12 10.999 -3.963 4.812
107 HG21 ILE 12 HG21 ILE 12 10.711 -7.127 6.508
108 HG22 ILE 12 HG22 ILE 12 9.764 -6.599 7.900
109 HG23 ILE 12 HG23 ILE 12 11.492 -6.257 7.828
110 HD11 ILE 12 HD11 ILE 12 12.939 -4.435 6.248
111 HD12 ILE 12 HD12 ILE 12 13.158 -5.150 4.650
112 HD13 ILE 12 HD13 ILE 12 12.697 -6.167 6.015
113 H LEU 13 HN LEU 13 8.469 -2.416 6.038
114 HA LEU 13 HA LEU 13 7.618 -1.974 8.805
115 HB2 LEU 13 HB2 LEU 13 8.464 -0.471 6.381
116 HB3 LEU 13 HB1 LEU 13 7.505 0.392 7.571
117 HG LEU 13 HG LEU 13 10.001 0.510 7.953
118 HD11 LEU 13 HD11 LEU 13 8.114 0.621 9.753
119 HD12 LEU 13 HD12 LEU 13 9.782 0.419 10.287
120 HD13 LEU 13 HD13 LEU 13 8.703 -0.973 10.222
121 HD21 LEU 13 HD21 LEU 13 10.241 -1.959 7.221
122 HD22 LEU 13 HD22 LEU 13 9.743 -2.350 8.868
123 HD23 LEU 13 HD23 LEU 13 11.213 -1.417 8.590
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 12.579 11.877 0.955
2 H2 PHE 1 HT2 PHE 1 11.669 12.852 -0.097
3 H3 PHE 1 HT3 PHE 1 13.104 12.123 -0.638
4 HA PHE 1 HA PHE 1 10.697 10.602 0.226
5 HB2 PHE 1 HB2 PHE 1 11.024 12.257 -1.981
6 HB3 PHE 1 HB1 PHE 1 11.446 10.665 -2.609
7 HD1 PHE 1 HD1 PHE 1 9.821 8.785 -2.462
8 HD2 PHE 1 HD2 PHE 1 8.774 12.786 -1.303
9 HE1 PHE 1 HE1 PHE 1 7.417 8.179 -2.539
10 HE2 PHE 1 HE2 PHE 1 6.370 12.180 -1.380
11 HZ PHE 1 HZ PHE 1 5.692 9.876 -1.999
12 H VAL 2 HN VAL 2 10.906 8.324 -0.465
13 HA VAL 2 HA VAL 2 13.647 7.428 -1.205
14 HB VAL 2 HB VAL 2 12.819 5.723 0.865
15 HG11 VAL 2 HG11 VAL 2 14.752 6.619 2.021
16 HG12 VAL 2 HG12 VAL 2 14.689 8.102 1.069
17 HG13 VAL 2 HG13 VAL 2 15.120 6.576 0.297
18 HG21 VAL 2 HG21 VAL 2 12.301 7.221 2.717
19 HG22 VAL 2 HG22 VAL 2 11.119 7.472 1.432
20 HG23 VAL 2 HG23 VAL 2 12.433 8.626 1.659
21 H GLN 3 HN GLN 3 13.146 6.233 -3.014
22 HA GLN 3 HA GLN 3 10.705 4.508 -2.968
23 HB2 GLN 3 HB2 GLN 3 10.749 4.727 -5.314
24 HB3 GLN 3 HB1 GLN 3 11.350 6.293 -4.772
25 HG2 GLN 3 HG2 GLN 3 13.693 5.370 -4.983
26 HG3 GLN 3 HG1 GLN 3 12.993 3.936 -5.735
27 HE21 GLN 3 HE21 GLN 3 14.697 6.346 -6.804
28 HE22 GLN 3 HE22 GLN 3 13.854 6.818 -8.200
29 H TRP 4 HN TRP 4 14.218 4.445 -3.354
30 HA TRP 4 HA TRP 4 14.329 1.587 -3.997
31 HB2 TRP 4 HB2 TRP 4 16.035 3.924 -3.897
32 HB3 TRP 4 HB1 TRP 4 16.817 2.574 -3.075
33 HD1 TRP 4 HD1 TRP 4 16.664 0.161 -4.567
34 HE1 TRP 4 HE1 TRP 4 17.139 -0.132 -7.083
35 HE3 TRP 4 HE3 TRP 4 16.080 4.982 -6.138
36 HZ2 TRP 4 HZ2 TRP 4 17.256 1.470 -9.450
37 HZ3 TRP 4 HZ3 TRP 4 16.378 5.572 -8.526
38 HH2 TRP 4 HH2 TRP 4 16.965 3.823 -10.183
39 H PHE 5 HN PHE 5 14.563 3.617 -1.134
40 HA PHE 5 HA PHE 5 15.543 1.461 0.603
41 HB2 PHE 5 HB2 PHE 5 15.693 4.165 0.587
42 HB3 PHE 5 HB1 PHE 5 14.311 3.959 1.659
43 HD1 PHE 5 HD1 PHE 5 14.623 3.328 3.915
44 HD2 PHE 5 HD2 PHE 5 17.829 2.830 1.100
45 HE1 PHE 5 HE1 PHE 5 16.161 2.740 5.770
46 HE2 PHE 5 HE2 PHE 5 19.366 2.239 2.954
47 HZ PHE 5 HZ PHE 5 18.532 2.195 5.289
48 H SER 6 HN SER 6 12.453 2.784 -0.381
49 HA SER 6 HA SER 6 10.995 1.490 1.845
50 HB2 SER 6 HB2 SER 6 10.516 3.450 -0.324
51 HB3 SER 6 HB1 SER 6 9.131 2.439 0.086
52 HG SER 6 HG SER 6 9.090 4.193 1.432
53 H LYS 7 HN LYS 7 11.784 0.937 -1.522
54 HA LYS 7 HA LYS 7 9.776 -0.994 -2.180
55 HB2 LYS 7 HB2 LYS 7 12.490 -0.169 -3.115
56 HB3 LYS 7 HB1 LYS 7 11.844 -1.689 -3.730
57 HG2 LYS 7 HG2 LYS 7 9.955 0.598 -3.736
58 HG3 LYS 7 HG1 LYS 7 11.311 0.730 -4.856
59 HD2 LYS 7 HD2 LYS 7 10.758 -1.535 -5.740
60 HD3 LYS 7 HD1 LYS 7 9.354 -1.582 -4.672
61 HE2 LYS 7 HE2 LYS 7 8.142 -0.253 -6.067
62 HE3 LYS 7 HE1 LYS 7 9.491 0.881 -6.275
63 HZ1 LYS 7 HZ1 LYS 7 9.559 -1.828 -7.463
64 HZ2 LYS 7 HZ2 LYS 7 10.463 -0.456 -7.900
65 HZ3 LYS 7 HZ3 LYS 7 8.809 -0.546 -8.281
66 H PHE 8 HN PHE 8 12.462 -1.185 -0.032
67 HA PHE 8 HA PHE 8 12.346 -4.183 -0.074
68 HB2 PHE 8 HB2 PHE 8 14.462 -2.375 -0.398
69 HB3 PHE 8 HB1 PHE 8 14.620 -2.938 1.264
70 HD1 PHE 8 HD1 PHE 8 14.313 -5.548 1.606
71 HD2 PHE 8 HD2 PHE 8 15.369 -3.676 -2.114
72 HE1 PHE 8 HE1 PHE 8 15.259 -7.693 0.794
73 HE2 PHE 8 HE2 PHE 8 16.315 -5.820 -2.924
74 HZ PHE 8 HZ PHE 8 16.260 -7.828 -1.471
75 H LEU 9 HN LEU 9 12.758 -1.326 2.020
76 HA LEU 9 HA LEU 9 12.269 -2.867 4.468
77 HB2 LEU 9 HB2 LEU 9 12.373 0.125 3.972
78 HB3 LEU 9 HB1 LEU 9 12.625 -0.699 5.509
79 HG LEU 9 HG LEU 9 14.363 -0.970 3.041
80 HD11 LEU 9 HD11 LEU 9 15.707 0.620 3.932
81 HD12 LEU 9 HD12 LEU 9 15.560 -0.053 5.555
82 HD13 LEU 9 HD13 LEU 9 14.326 1.046 4.941
83 HD21 LEU 9 HD21 LEU 9 14.749 -3.012 3.995
84 HD22 LEU 9 HD22 LEU 9 14.126 -2.508 5.566
85 HD23 LEU 9 HD23 LEU 9 15.768 -2.076 5.088
86 H GLY 10 HN GLY 10 10.528 -0.404 2.548
87 HA2 GLY 10 HA2 GLY 10 8.220 -0.201 4.183
88 HA3 GLY 10 HA1 GLY 10 8.228 0.074 2.440
89 H ARG 11 HN ARG 11 9.319 -2.790 2.161
90 HA ARG 11 HA ARG 11 6.731 -4.087 1.813
91 HB2 ARG 11 HB2 ARG 11 9.540 -5.221 1.642
92 HB3 ARG 11 HB1 ARG 11 8.098 -5.840 0.838
93 HG2 ARG 11 HG2 ARG 11 9.463 -3.182 0.307
94 HG3 ARG 11 HG1 ARG 11 9.413 -4.573 -0.770
95 HD2 ARG 11 HD2 ARG 11 7.635 -3.396 -1.661
96 HD3 ARG 11 HD1 ARG 11 6.752 -4.223 -0.363
97 HE ARG 11 HE ARG 11 8.043 -1.747 0.507
98 HH11 ARG 11 HH11 ARG 11 6.675 -0.071 1.116
99 HH12 ARG 11 HH12 ARG 11 4.999 -0.129 0.685
100 HH21 ARG 11 HH21 ARG 11 5.230 -3.168 -0.959
101 HH22 ARG 11 HH22 ARG 11 4.189 -1.871 -0.484
102 H ILE 12 HN ILE 12 8.985 -3.835 4.395
103 HA ILE 12 HA ILE 12 7.730 -6.187 5.773
104 HB ILE 12 HB ILE 12 10.316 -5.387 6.807
105 HG12 ILE 12 HG12 ILE 12 10.173 -6.023 3.845
106 HG13 ILE 12 HG11 ILE 12 10.739 -4.514 4.562
107 HG21 ILE 12 HG21 ILE 12 10.816 -7.728 6.477
108 HG22 ILE 12 HG22 ILE 12 9.502 -7.894 5.312
109 HG23 ILE 12 HG23 ILE 12 9.140 -7.610 7.015
110 HD11 ILE 12 HD11 ILE 12 12.434 -5.979 5.846
111 HD12 ILE 12 HD12 ILE 12 12.726 -5.711 4.128
112 HD13 ILE 12 HD13 ILE 12 12.030 -7.237 4.677
113 H LEU 13 HN LEU 13 9.008 -2.903 6.059
114 HA LEU 13 HA LEU 13 8.561 -2.555 8.864
115 HB2 LEU 13 HB2 LEU 13 9.225 -1.013 6.422
116 HB3 LEU 13 HB1 LEU 13 8.568 -0.088 7.760
117 HG LEU 13 HG LEU 13 11.070 -0.289 7.819
118 HD11 LEU 13 HD11 LEU 13 10.973 -0.187 10.079
119 HD12 LEU 13 HD12 LEU 13 10.338 -1.827 10.201
120 HD13 LEU 13 HD13 LEU 13 9.244 -0.479 9.889
121 HD21 LEU 13 HD21 LEU 13 10.766 -3.126 8.697
122 HD22 LEU 13 HD22 LEU 13 12.147 -2.328 7.944
123 HD23 LEU 13 HD23 LEU 13 10.755 -2.793 6.965
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 10.886 9.625 1.580
2 H2 PHE 1 HT2 PHE 1 9.936 9.652 0.172
3 H3 PHE 1 HT3 PHE 1 10.025 11.026 1.166
4 HA PHE 1 HA PHE 1 11.397 11.258 -0.857
5 HB2 PHE 1 HB2 PHE 1 12.163 11.436 1.977
6 HB3 PHE 1 HB1 PHE 1 13.543 11.441 0.877
7 HD1 PHE 1 HD1 PHE 1 13.659 13.136 -0.972
8 HD2 PHE 1 HD2 PHE 1 10.667 13.297 2.105
9 HE1 PHE 1 HE1 PHE 1 13.181 15.497 -1.561
10 HE2 PHE 1 HE2 PHE 1 10.190 15.657 1.518
11 HZ PHE 1 HZ PHE 1 11.446 16.758 -0.316
12 H VAL 2 HN VAL 2 11.216 8.189 0.019
13 HA VAL 2 HA VAL 2 13.716 7.451 -1.421
14 HB VAL 2 HB VAL 2 13.460 5.596 0.671
15 HG11 VAL 2 HG11 VAL 2 15.649 6.159 0.994
16 HG12 VAL 2 HG12 VAL 2 15.290 7.882 1.106
17 HG13 VAL 2 HG13 VAL 2 15.422 7.110 -0.474
18 HG21 VAL 2 HG21 VAL 2 13.219 8.419 1.751
19 HG22 VAL 2 HG22 VAL 2 13.316 6.928 2.688
20 HG23 VAL 2 HG23 VAL 2 11.885 7.266 1.714
21 H GLN 3 HN GLN 3 12.930 6.239 -3.099
22 HA GLN 3 HA GLN 3 10.497 4.569 -2.668
23 HB2 GLN 3 HB2 GLN 3 10.329 4.651 -5.071
24 HB3 GLN 3 HB1 GLN 3 10.756 6.277 -4.535
25 HG2 GLN 3 HG2 GLN 3 13.176 5.687 -4.952
26 HG3 GLN 3 HG1 GLN 3 12.621 4.180 -5.680
27 HE21 GLN 3 HE21 GLN 3 10.579 4.778 -7.302
28 HE22 GLN 3 HE22 GLN 3 10.964 5.999 -8.417
29 H TRP 4 HN TRP 4 13.888 4.354 -3.723
30 HA TRP 4 HA TRP 4 13.785 1.500 -4.290
31 HB2 TRP 4 HB2 TRP 4 15.474 3.666 -4.752
32 HB3 TRP 4 HB1 TRP 4 16.387 2.668 -3.620
33 HD1 TRP 4 HD1 TRP 4 17.671 0.729 -4.639
34 HE1 TRP 4 HE1 TRP 4 17.599 -0.561 -6.871
35 HE3 TRP 4 HE3 TRP 4 13.583 2.908 -6.785
36 HZ2 TRP 4 HZ2 TRP 4 16.013 -0.655 -9.253
37 HZ3 TRP 4 HZ3 TRP 4 12.813 2.203 -9.031
38 HH2 TRP 4 HH2 TRP 4 14.022 0.426 -10.268
39 H PHE 5 HN PHE 5 14.968 3.490 -1.570
40 HA PHE 5 HA PHE 5 15.907 1.275 0.022
41 HB2 PHE 5 HB2 PHE 5 16.337 3.862 0.089
42 HB3 PHE 5 HB1 PHE 5 14.899 3.896 1.109
43 HD1 PHE 5 HD1 PHE 5 15.218 3.698 3.404
44 HD2 PHE 5 HD2 PHE 5 18.054 1.886 0.734
45 HE1 PHE 5 HE1 PHE 5 16.579 2.969 5.344
46 HE2 PHE 5 HE2 PHE 5 19.415 1.156 2.675
47 HZ PHE 5 HZ PHE 5 18.677 1.698 4.980
48 H SER 6 HN SER 6 12.771 2.792 -0.439
49 HA SER 6 HA SER 6 11.571 1.488 1.916
50 HB2 SER 6 HB2 SER 6 10.902 3.734 1.145
51 HB3 SER 6 HB1 SER 6 10.425 3.064 -0.414
52 HG SER 6 HG SER 6 8.686 3.333 1.121
53 H LYS 7 HN LYS 7 12.012 0.843 -1.482
54 HA LYS 7 HA LYS 7 9.845 -0.969 -1.946
55 HB2 LYS 7 HB2 LYS 7 12.537 -0.347 -3.084
56 HB3 LYS 7 HB1 LYS 7 11.764 -1.846 -3.599
57 HG2 LYS 7 HG2 LYS 7 10.083 0.620 -3.575
58 HG3 LYS 7 HG1 LYS 7 11.300 0.486 -4.844
59 HD2 LYS 7 HD2 LYS 7 9.320 -1.719 -4.220
60 HD3 LYS 7 HD1 LYS 7 9.020 -0.474 -5.432
61 HE2 LYS 7 HE2 LYS 7 11.357 -1.173 -6.384
62 HE3 LYS 7 HE1 LYS 7 11.100 -2.657 -5.449
63 HZ1 LYS 7 HZ1 LYS 7 9.243 -1.472 -7.451
64 HZ2 LYS 7 HZ2 LYS 7 8.877 -2.814 -6.475
65 HZ3 LYS 7 HZ3 LYS 7 10.122 -2.912 -7.627
66 H PHE 8 HN PHE 8 12.842 -1.303 -0.193
67 HA PHE 8 HA PHE 8 12.479 -4.269 -0.034
68 HB2 PHE 8 HB2 PHE 8 14.672 -2.513 -0.430
69 HB3 PHE 8 HB1 PHE 8 14.883 -3.218 1.169
70 HD1 PHE 8 HD1 PHE 8 15.885 -5.326 1.343
71 HD2 PHE 8 HD2 PHE 8 13.935 -4.218 -2.320
72 HE1 PHE 8 HE1 PHE 8 16.629 -7.451 0.304
73 HE2 PHE 8 HE2 PHE 8 14.679 -6.343 -3.359
74 HZ PHE 8 HZ PHE 8 16.025 -7.960 -2.047
75 H LEU 9 HN LEU 9 12.665 -1.287 1.833
76 HA LEU 9 HA LEU 9 12.408 -2.744 4.403
77 HB2 LEU 9 HB2 LEU 9 12.543 0.217 3.749
78 HB3 LEU 9 HB1 LEU 9 12.793 -0.519 5.329
79 HG LEU 9 HG LEU 9 14.511 -0.903 2.866
80 HD11 LEU 9 HD11 LEU 9 16.247 0.154 4.266
81 HD12 LEU 9 HD12 LEU 9 15.083 0.331 5.579
82 HD13 LEU 9 HD13 LEU 9 14.860 1.226 4.075
83 HD21 LEU 9 HD21 LEU 9 14.922 -2.938 3.794
84 HD22 LEU 9 HD22 LEU 9 14.167 -2.487 5.325
85 HD23 LEU 9 HD23 LEU 9 15.840 -2.034 4.999
86 H GLY 10 HN GLY 10 10.678 -0.187 2.586
87 HA2 GLY 10 HA2 GLY 10 8.413 0.045 4.230
88 HA3 GLY 10 HA1 GLY 10 8.375 0.288 2.483
89 H ARG 11 HN ARG 11 9.345 -2.546 2.095
90 HA ARG 11 HA ARG 11 6.750 -3.804 1.872
91 HB2 ARG 11 HB2 ARG 11 7.929 -5.342 0.630
92 HB3 ARG 11 HB1 ARG 11 9.068 -3.998 0.586
93 HG2 ARG 11 HG2 ARG 11 10.219 -4.962 2.575
94 HG3 ARG 11 HG1 ARG 11 9.133 -6.353 2.490
95 HD2 ARG 11 HD2 ARG 11 10.096 -6.007 -0.126
96 HD3 ARG 11 HD1 ARG 11 11.515 -5.821 0.925
97 HE ARG 11 HE ARG 11 10.042 -7.996 1.950
98 HH11 ARG 11 HH11 ARG 11 10.577 -10.116 1.429
99 HH12 ARG 11 HH12 ARG 11 11.467 -10.448 -0.019
100 HH21 ARG 11 HH21 ARG 11 11.685 -7.131 -0.988
101 HH22 ARG 11 HH22 ARG 11 12.089 -8.766 -1.377
102 H ILE 12 HN ILE 12 9.115 -3.659 4.400
103 HA ILE 12 HA ILE 12 7.838 -5.988 5.792
104 HB ILE 12 HB ILE 12 10.334 -4.747 6.820
105 HG12 ILE 12 HG12 ILE 12 10.218 -6.207 4.174
106 HG13 ILE 12 HG11 ILE 12 10.802 -4.568 4.446
107 HG21 ILE 12 HG21 ILE 12 10.353 -7.583 6.184
108 HG22 ILE 12 HG22 ILE 12 8.915 -7.143 7.104
109 HG23 ILE 12 HG23 ILE 12 10.518 -6.791 7.750
110 HD11 ILE 12 HD11 ILE 12 12.442 -5.725 6.137
111 HD12 ILE 12 HD12 ILE 12 12.798 -5.784 4.411
112 HD13 ILE 12 HD13 ILE 12 12.077 -7.180 5.211
113 H LEU 13 HN LEU 13 8.590 -2.567 5.952
114 HA LEU 13 HA LEU 13 7.908 -2.219 8.750
115 HB2 LEU 13 HB2 LEU 13 8.570 -0.591 6.327
116 HB3 LEU 13 HB1 LEU 13 7.931 0.218 7.742
117 HG LEU 13 HG LEU 13 9.759 -1.238 8.984
118 HD11 LEU 13 HD11 LEU 13 10.358 -2.419 6.838
119 HD12 LEU 13 HD12 LEU 13 11.730 -1.646 7.635
120 HD13 LEU 13 HD13 LEU 13 10.979 -0.882 6.234
121 HD21 LEU 13 HD21 LEU 13 10.896 0.731 9.222
122 HD22 LEU 13 HD22 LEU 13 9.533 1.391 8.316
123 HD23 LEU 13 HD23 LEU 13 11.030 0.975 7.481
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 11.645 9.593 2.658
2 H2 PHE 1 HT2 PHE 1 10.330 10.669 2.700
3 H3 PHE 1 HT3 PHE 1 11.834 11.183 2.099
4 HA PHE 1 HA PHE 1 9.843 9.409 0.829
5 HB2 PHE 1 HB2 PHE 1 10.838 12.086 0.642
6 HB3 PHE 1 HB1 PHE 1 11.277 11.239 -0.842
7 HD1 PHE 1 HD1 PHE 1 8.947 13.392 0.179
8 HD2 PHE 1 HD2 PHE 1 9.114 9.341 -1.239
9 HE1 PHE 1 HE1 PHE 1 6.605 13.575 -0.615
10 HE2 PHE 1 HE2 PHE 1 6.772 9.523 -2.034
11 HZ PHE 1 HZ PHE 1 5.516 11.639 -1.722
12 H VAL 2 HN VAL 2 10.696 7.483 0.125
13 HA VAL 2 HA VAL 2 13.327 7.511 -1.247
14 HB VAL 2 HB VAL 2 13.250 5.178 0.366
15 HG11 VAL 2 HG11 VAL 2 14.817 7.762 0.629
16 HG12 VAL 2 HG12 VAL 2 15.271 6.365 -0.346
17 HG13 VAL 2 HG13 VAL 2 15.240 6.239 1.413
18 HG21 VAL 2 HG21 VAL 2 13.022 6.073 2.617
19 HG22 VAL 2 HG22 VAL 2 11.544 6.422 1.720
20 HG23 VAL 2 HG23 VAL 2 12.739 7.694 1.982
21 H GLN 3 HN GLN 3 13.437 5.968 -2.867
22 HA GLN 3 HA GLN 3 10.924 4.467 -3.427
23 HB2 GLN 3 HB2 GLN 3 12.884 6.009 -4.907
24 HB3 GLN 3 HB1 GLN 3 12.695 4.401 -5.612
25 HG2 GLN 3 HG2 GLN 3 10.306 4.692 -5.769
26 HG3 GLN 3 HG1 GLN 3 10.393 6.219 -4.889
27 HE21 GLN 3 HE21 GLN 3 9.282 6.990 -7.020
28 HE22 GLN 3 HE22 GLN 3 10.305 7.456 -8.291
29 H TRP 4 HN TRP 4 14.416 4.017 -4.021
30 HA TRP 4 HA TRP 4 14.220 1.160 -4.208
31 HB2 TRP 4 HB2 TRP 4 16.075 3.215 -4.641
32 HB3 TRP 4 HB1 TRP 4 16.820 2.197 -3.408
33 HD1 TRP 4 HD1 TRP 4 17.341 -0.334 -4.034
34 HE1 TRP 4 HE1 TRP 4 17.603 -1.526 -6.305
35 HE3 TRP 4 HE3 TRP 4 15.242 3.158 -7.111
36 HZ2 TRP 4 HZ2 TRP 4 17.002 -1.059 -9.061
37 HZ3 TRP 4 HZ3 TRP 4 15.100 2.760 -9.552
38 HH2 TRP 4 HH2 TRP 4 15.977 0.658 -10.531
39 H PHE 5 HN PHE 5 14.763 3.393 -1.549
40 HA PHE 5 HA PHE 5 15.636 1.338 0.344
41 HB2 PHE 5 HB2 PHE 5 15.867 4.038 0.146
42 HB3 PHE 5 HB1 PHE 5 14.498 3.932 1.254
43 HD1 PHE 5 HD1 PHE 5 17.833 2.286 0.704
44 HD2 PHE 5 HD2 PHE 5 14.973 3.800 3.529
45 HE1 PHE 5 HE1 PHE 5 19.382 1.742 2.563
46 HE2 PHE 5 HE2 PHE 5 16.522 3.256 5.388
47 HZ PHE 5 HZ PHE 5 18.726 2.228 4.905
48 H SER 6 HN SER 6 12.602 2.618 -0.788
49 HA SER 6 HA SER 6 11.096 1.553 1.539
50 HB2 SER 6 HB2 SER 6 10.686 3.771 0.300
51 HB3 SER 6 HB1 SER 6 10.043 2.790 -1.016
52 HG SER 6 HG SER 6 8.910 1.846 1.100
53 H LYS 7 HN LYS 7 11.904 0.753 -1.771
54 HA LYS 7 HA LYS 7 9.835 -1.166 -2.303
55 HB2 LYS 7 HB2 LYS 7 12.660 -0.694 -3.276
56 HB3 LYS 7 HB1 LYS 7 11.654 -1.980 -3.943
57 HG2 LYS 7 HG2 LYS 7 10.239 0.577 -3.778
58 HG3 LYS 7 HG1 LYS 7 11.678 0.666 -4.794
59 HD2 LYS 7 HD2 LYS 7 10.737 -0.611 -6.408
60 HD3 LYS 7 HD1 LYS 7 10.135 -1.784 -5.235
61 HE2 LYS 7 HE2 LYS 7 8.734 0.814 -5.148
62 HE3 LYS 7 HE1 LYS 7 8.519 -0.081 -6.663
63 HZ1 LYS 7 HZ1 LYS 7 8.427 -1.564 -4.132
64 HZ2 LYS 7 HZ2 LYS 7 7.606 -1.866 -5.589
65 HZ3 LYS 7 HZ3 LYS 7 7.072 -0.633 -4.548
66 H PHE 8 HN PHE 8 12.644 -1.277 -0.264
67 HA PHE 8 HA PHE 8 12.385 -4.255 -0.033
68 HB2 PHE 8 HB2 PHE 8 14.562 -2.512 -0.532
69 HB3 PHE 8 HB1 PHE 8 14.779 -3.111 1.110
70 HD1 PHE 8 HD1 PHE 8 15.618 -5.279 1.485
71 HD2 PHE 8 HD2 PHE 8 14.022 -4.256 -2.370
72 HE1 PHE 8 HE1 PHE 8 16.383 -7.461 0.588
73 HE2 PHE 8 HE2 PHE 8 14.787 -6.438 -3.267
74 HZ PHE 8 HZ PHE 8 15.967 -8.041 -1.787
75 H LEU 9 HN LEU 9 12.818 -1.213 1.755
76 HA LEU 9 HA LEU 9 12.481 -2.542 4.366
77 HB2 LEU 9 HB2 LEU 9 12.585 0.400 3.628
78 HB3 LEU 9 HB1 LEU 9 12.949 -0.317 5.197
79 HG LEU 9 HG LEU 9 14.497 -0.809 2.637
80 HD11 LEU 9 HD11 LEU 9 14.603 1.432 4.163
81 HD12 LEU 9 HD12 LEU 9 16.006 0.769 3.324
82 HD13 LEU 9 HD13 LEU 9 15.750 0.415 5.033
83 HD21 LEU 9 HD21 LEU 9 14.691 -2.782 3.920
84 HD22 LEU 9 HD22 LEU 9 14.690 -1.896 5.445
85 HD23 LEU 9 HD23 LEU 9 16.105 -1.841 4.394
86 H GLY 10 HN GLY 10 10.671 -0.266 2.289
87 HA2 GLY 10 HA2 GLY 10 8.453 0.150 4.007
88 HA3 GLY 10 HA1 GLY 10 8.380 0.250 2.247
89 H ARG 11 HN ARG 11 9.327 -2.565 1.982
90 HA ARG 11 HA ARG 11 6.771 -3.886 1.910
91 HB2 ARG 11 HB2 ARG 11 9.567 -5.064 1.882
92 HB3 ARG 11 HB1 ARG 11 8.115 -5.780 1.182
93 HG2 ARG 11 HG2 ARG 11 9.660 -3.365 0.251
94 HG3 ARG 11 HG1 ARG 11 9.181 -4.789 -0.672
95 HD2 ARG 11 HD2 ARG 11 7.345 -2.597 0.361
96 HD3 ARG 11 HD1 ARG 11 7.704 -2.981 -1.333
97 HE ARG 11 HE ARG 11 6.812 -5.383 -0.211
98 HH11 ARG 11 HH11 ARG 11 4.666 -6.038 -0.311
99 HH12 ARG 11 HH12 ARG 11 3.415 -4.859 -0.514
100 HH21 ARG 11 HH21 ARG 11 5.577 -2.157 -0.602
101 HH22 ARG 11 HH22 ARG 11 3.930 -2.677 -0.678
102 H ILE 12 HN ILE 12 9.106 -3.450 4.427
103 HA ILE 12 HA ILE 12 7.785 -5.596 6.056
104 HB ILE 12 HB ILE 12 10.360 -4.576 7.000
105 HG12 ILE 12 HG12 ILE 12 10.146 -5.685 4.192
106 HG13 ILE 12 HG11 ILE 12 10.885 -4.164 4.690
107 HG21 ILE 12 HG21 ILE 12 10.606 -6.758 7.602
108 HG22 ILE 12 HG22 ILE 12 10.101 -7.350 6.018
109 HG23 ILE 12 HG23 ILE 12 8.890 -6.877 7.210
110 HD11 ILE 12 HD11 ILE 12 12.476 -5.587 6.115
111 HD12 ILE 12 HD12 ILE 12 12.706 -5.668 4.369
112 HD13 ILE 12 HD13 ILE 12 11.872 -6.975 5.210
113 H LEU 13 HN LEU 13 8.845 -2.236 5.921
114 HA LEU 13 HA LEU 13 8.167 -1.671 8.708
115 HB2 LEU 13 HB2 LEU 13 9.272 -0.336 6.286
116 HB3 LEU 13 HB1 LEU 13 8.581 0.693 7.523
117 HG LEU 13 HG LEU 13 10.054 -0.998 9.051
118 HD11 LEU 13 HD11 LEU 13 10.990 -2.197 7.155
119 HD12 LEU 13 HD12 LEU 13 12.266 -1.220 7.886
120 HD13 LEU 13 HD13 LEU 13 11.484 -0.681 6.400
121 HD21 LEU 13 HD21 LEU 13 10.204 1.711 8.136
122 HD22 LEU 13 HD22 LEU 13 11.839 1.049 8.175
123 HD23 LEU 13 HD23 LEU 13 10.844 1.029 9.632
Start of MODEL 16
1 H1 PHE 1 HT1 PHE 1 9.910 11.316 0.430
2 H2 PHE 1 HT2 PHE 1 10.259 9.891 -0.428
3 H3 PHE 1 HT3 PHE 1 10.883 11.379 -0.959
4 HA PHE 1 HA PHE 1 12.406 11.521 0.809
5 HB2 PHE 1 HB2 PHE 1 10.246 10.018 2.020
6 HB3 PHE 1 HB1 PHE 1 11.795 9.261 2.393
7 HD1 PHE 1 HD1 PHE 1 13.507 10.448 3.672
8 HD2 PHE 1 HD2 PHE 1 9.748 12.306 2.738
9 HE1 PHE 1 HE1 PHE 1 13.974 12.229 5.333
10 HE2 PHE 1 HE2 PHE 1 10.215 14.087 4.400
11 HZ PHE 1 HZ PHE 1 12.328 14.048 5.697
12 H VAL 2 HN VAL 2 11.428 8.081 0.622
13 HA VAL 2 HA VAL 2 13.838 7.540 -1.062
14 HB VAL 2 HB VAL 2 13.710 5.435 0.747
15 HG11 VAL 2 HG11 VAL 2 15.853 6.155 0.367
16 HG12 VAL 2 HG12 VAL 2 15.583 7.032 1.873
17 HG13 VAL 2 HG13 VAL 2 15.382 7.855 0.327
18 HG21 VAL 2 HG21 VAL 2 13.322 8.020 2.277
19 HG22 VAL 2 HG22 VAL 2 13.471 6.395 2.945
20 HG23 VAL 2 HG23 VAL 2 12.036 6.843 2.023
21 H GLN 3 HN GLN 3 13.018 6.525 -2.850
22 HA GLN 3 HA GLN 3 10.593 4.810 -2.566
23 HB2 GLN 3 HB2 GLN 3 10.335 5.210 -4.918
24 HB3 GLN 3 HB1 GLN 3 10.832 6.750 -4.217
25 HG2 GLN 3 HG2 GLN 3 13.203 6.192 -4.812
26 HG3 GLN 3 HG1 GLN 3 12.613 4.749 -5.638
27 HE21 GLN 3 HE21 GLN 3 12.963 8.220 -5.886
28 HE22 GLN 3 HE22 GLN 3 12.275 8.379 -7.429
29 H TRP 4 HN TRP 4 13.970 4.748 -3.657
30 HA TRP 4 HA TRP 4 13.886 2.020 -4.658
31 HB2 TRP 4 HB2 TRP 4 15.681 4.262 -4.461
32 HB3 TRP 4 HB1 TRP 4 16.511 2.813 -3.893
33 HD1 TRP 4 HD1 TRP 4 15.397 4.542 -6.989
34 HE1 TRP 4 HE1 TRP 4 15.858 3.063 -9.050
35 HE3 TRP 4 HE3 TRP 4 16.521 0.129 -4.676
36 HZ2 TRP 4 HZ2 TRP 4 16.605 0.365 -9.640
37 HZ3 TRP 4 HZ3 TRP 4 17.102 -1.877 -6.010
38 HH2 TRP 4 HH2 TRP 4 17.146 -1.765 -8.487
39 H PHE 5 HN PHE 5 14.824 3.553 -1.590
40 HA PHE 5 HA PHE 5 15.786 1.087 -0.373
41 HB2 PHE 5 HB2 PHE 5 16.401 3.527 0.129
42 HB3 PHE 5 HB1 PHE 5 14.860 3.633 0.978
43 HD1 PHE 5 HD1 PHE 5 14.875 3.198 3.262
44 HD2 PHE 5 HD2 PHE 5 17.807 1.310 0.753
45 HE1 PHE 5 HE1 PHE 5 15.902 2.144 5.257
46 HE2 PHE 5 HE2 PHE 5 18.834 0.256 2.750
47 HZ PHE 5 HZ PHE 5 17.882 0.672 5.000
48 H SER 6 HN SER 6 12.707 2.815 -0.508
49 HA SER 6 HA SER 6 11.403 1.382 1.638
50 HB2 SER 6 HB2 SER 6 10.666 3.153 -0.660
51 HB3 SER 6 HB1 SER 6 9.374 2.252 0.134
52 HG SER 6 HG SER 6 9.467 3.670 1.652
53 H LYS 7 HN LYS 7 12.057 0.639 -1.713
54 HA LYS 7 HA LYS 7 10.008 -1.243 -2.286
55 HB2 LYS 7 HB2 LYS 7 12.844 -0.745 -3.126
56 HB3 LYS 7 HB1 LYS 7 12.025 -2.195 -3.709
57 HG2 LYS 7 HG2 LYS 7 10.091 -0.334 -4.139
58 HG3 LYS 7 HG1 LYS 7 11.535 0.651 -4.375
59 HD2 LYS 7 HD2 LYS 7 11.249 -2.052 -5.687
60 HD3 LYS 7 HD1 LYS 7 10.592 -0.598 -6.437
61 HE2 LYS 7 HE2 LYS 7 13.223 0.067 -5.611
62 HE3 LYS 7 HE1 LYS 7 13.328 -1.514 -6.410
63 HZ1 LYS 7 HZ1 LYS 7 11.708 0.708 -7.516
64 HZ2 LYS 7 HZ2 LYS 7 12.240 -0.699 -8.305
65 HZ3 LYS 7 HZ3 LYS 7 13.348 0.526 -7.908
66 H PHE 8 HN PHE 8 12.742 -1.461 -0.151
67 HA PHE 8 HA PHE 8 12.280 -4.409 0.191
68 HB2 PHE 8 HB2 PHE 8 14.574 -2.786 -0.285
69 HB3 PHE 8 HB1 PHE 8 14.711 -3.410 1.355
70 HD1 PHE 8 HD1 PHE 8 15.122 -5.727 1.785
71 HD2 PHE 8 HD2 PHE 8 14.260 -4.385 -2.202
72 HE1 PHE 8 HE1 PHE 8 15.779 -7.947 0.895
73 HE2 PHE 8 HE2 PHE 8 14.916 -6.604 -3.092
74 HZ PHE 8 HZ PHE 8 15.677 -8.386 -1.543
75 H LEU 9 HN LEU 9 12.565 -1.276 1.711
76 HA LEU 9 HA LEU 9 12.463 -2.229 4.459
77 HB2 LEU 9 HB2 LEU 9 13.580 -0.221 4.183
78 HB3 LEU 9 HB1 LEU 9 12.571 0.280 2.845
79 HG LEU 9 HG LEU 9 10.765 0.804 4.326
80 HD11 LEU 9 HD11 LEU 9 11.862 0.645 6.903
81 HD12 LEU 9 HD12 LEU 9 12.281 -0.886 6.133
82 HD13 LEU 9 HD13 LEU 9 10.595 -0.383 6.236
83 HD21 LEU 9 HD21 LEU 9 11.651 2.783 5.131
84 HD22 LEU 9 HD22 LEU 9 12.969 2.284 4.071
85 HD23 LEU 9 HD23 LEU 9 13.072 1.986 5.806
86 H GLY 10 HN GLY 10 10.312 -0.355 2.325
87 HA2 GLY 10 HA2 GLY 10 8.040 -0.257 3.987
88 HA3 GLY 10 HA1 GLY 10 7.960 -0.258 2.224
89 H ARG 11 HN ARG 11 9.361 -2.911 2.147
90 HA ARG 11 HA ARG 11 7.060 -4.624 2.080
91 HB2 ARG 11 HB2 ARG 11 9.999 -5.347 2.306
92 HB3 ARG 11 HB1 ARG 11 8.724 -6.334 1.593
93 HG2 ARG 11 HG2 ARG 11 9.969 -3.805 0.533
94 HG3 ARG 11 HG1 ARG 11 9.734 -5.348 -0.286
95 HD2 ARG 11 HD2 ARG 11 7.578 -3.343 0.461
96 HD3 ARG 11 HD1 ARG 11 8.082 -3.814 -1.173
97 HE ARG 11 HE ARG 11 7.428 -6.210 0.132
98 HH11 ARG 11 HH11 ARG 11 5.390 -7.147 -0.041
99 HH12 ARG 11 HH12 ARG 11 4.024 -6.163 -0.448
100 HH21 ARG 11 HH21 ARG 11 5.843 -3.225 -0.676
101 HH22 ARG 11 HH22 ARG 11 4.281 -3.957 -0.804
102 H ILE 12 HN ILE 12 9.183 -3.663 4.648
103 HA ILE 12 HA ILE 12 8.158 -5.870 6.395
104 HB ILE 12 HB ILE 12 10.383 -4.108 7.262
105 HG12 ILE 12 HG12 ILE 12 10.616 -5.950 4.869
106 HG13 ILE 12 HG11 ILE 12 10.976 -4.225 4.925
107 HG21 ILE 12 HG21 ILE 12 9.594 -6.166 8.456
108 HG22 ILE 12 HG22 ILE 12 11.301 -6.227 8.017
109 HG23 ILE 12 HG23 ILE 12 10.114 -7.121 7.067
110 HD11 ILE 12 HD11 ILE 12 12.436 -6.375 6.485
111 HD12 ILE 12 HD12 ILE 12 12.788 -4.647 6.540
112 HD13 ILE 12 HD13 ILE 12 13.048 -5.554 5.049
113 H LEU 13 HN LEU 13 8.609 -2.369 6.097
114 HA LEU 13 HA LEU 13 7.442 -1.793 8.710
115 HB2 LEU 13 HB2 LEU 13 8.658 -0.405 6.370
116 HB3 LEU 13 HB1 LEU 13 7.684 0.545 7.476
117 HG LEU 13 HG LEU 13 10.100 0.493 8.113
118 HD11 LEU 13 HD11 LEU 13 9.542 0.575 10.319
119 HD12 LEU 13 HD12 LEU 13 8.877 -1.058 10.300
120 HD13 LEU 13 HD13 LEU 13 7.900 0.297 9.736
121 HD21 LEU 13 HD21 LEU 13 10.233 -1.986 7.275
122 HD22 LEU 13 HD22 LEU 13 9.705 -2.374 8.913
123 HD23 LEU 13 HD23 LEU 13 11.210 -1.490 8.657
Start of MODEL 17
1 H1 PHE 1 HT1 PHE 1 12.043 12.541 1.163
2 H2 PHE 1 HT2 PHE 1 13.513 11.964 0.535
3 H3 PHE 1 HT3 PHE 1 12.720 11.111 1.772
4 HA PHE 1 HA PHE 1 10.879 10.594 0.280
5 HB2 PHE 1 HB2 PHE 1 11.937 12.854 -0.983
6 HB3 PHE 1 HB1 PHE 1 12.269 11.537 -2.107
7 HD1 PHE 1 HD1 PHE 1 10.271 9.848 -2.491
8 HD2 PHE 1 HD2 PHE 1 9.827 13.856 -1.010
9 HE1 PHE 1 HE1 PHE 1 7.891 9.842 -3.189
10 HE2 PHE 1 HE2 PHE 1 7.447 13.850 -1.708
11 HZ PHE 1 HZ PHE 1 6.480 11.843 -2.797
12 H VAL 2 HN VAL 2 11.326 8.419 0.227
13 HA VAL 2 HA VAL 2 13.727 7.520 -1.325
14 HB VAL 2 HB VAL 2 13.225 5.723 0.818
15 HG11 VAL 2 HG11 VAL 2 15.366 6.974 -0.424
16 HG12 VAL 2 HG12 VAL 2 15.477 5.882 0.957
17 HG13 VAL 2 HG13 VAL 2 15.416 7.625 1.214
18 HG21 VAL 2 HG21 VAL 2 11.962 7.569 1.883
19 HG22 VAL 2 HG22 VAL 2 13.364 8.622 1.704
20 HG23 VAL 2 HG23 VAL 2 13.448 7.217 2.765
21 H GLN 3 HN GLN 3 12.849 6.399 -3.026
22 HA GLN 3 HA GLN 3 10.416 4.724 -2.535
23 HB2 GLN 3 HB2 GLN 3 9.842 5.208 -4.740
24 HB3 GLN 3 HB1 GLN 3 10.736 6.667 -4.320
25 HG2 GLN 3 HG2 GLN 3 12.811 5.558 -5.231
26 HG3 GLN 3 HG1 GLN 3 11.785 4.247 -5.813
27 HE21 GLN 3 HE21 GLN 3 10.872 4.546 -7.861
28 HE22 GLN 3 HE22 GLN 3 10.776 6.036 -8.669
29 H TRP 4 HN TRP 4 13.736 4.700 -3.736
30 HA TRP 4 HA TRP 4 13.677 1.953 -4.704
31 HB2 TRP 4 HB2 TRP 4 15.514 4.224 -4.430
32 HB3 TRP 4 HB1 TRP 4 16.310 2.674 -4.160
33 HD1 TRP 4 HD1 TRP 4 13.346 2.922 -6.525
34 HE1 TRP 4 HE1 TRP 4 14.152 2.477 -8.932
35 HE3 TRP 4 HE3 TRP 4 18.396 2.844 -5.766
36 HZ2 TRP 4 HZ2 TRP 4 16.611 2.134 -10.349
37 HZ3 TRP 4 HZ3 TRP 4 19.945 2.458 -7.661
38 HH2 TRP 4 HH2 TRP 4 19.061 2.103 -9.950
39 H PHE 5 HN PHE 5 14.577 3.582 -1.692
40 HA PHE 5 HA PHE 5 15.683 1.199 -0.432
41 HB2 PHE 5 HB2 PHE 5 16.122 3.721 -0.011
42 HB3 PHE 5 HB1 PHE 5 14.629 3.682 0.929
43 HD1 PHE 5 HD1 PHE 5 15.171 3.685 3.205
44 HD2 PHE 5 HD2 PHE 5 17.408 1.199 0.510
45 HE1 PHE 5 HE1 PHE 5 16.408 2.717 5.125
46 HE2 PHE 5 HE2 PHE 5 18.646 0.232 2.430
47 HZ PHE 5 HZ PHE 5 18.146 0.992 4.736
48 H SER 6 HN SER 6 12.541 2.858 -0.440
49 HA SER 6 HA SER 6 11.315 1.407 1.700
50 HB2 SER 6 HB2 SER 6 10.122 3.272 1.035
51 HB3 SER 6 HB1 SER 6 10.492 3.025 -0.671
52 HG SER 6 HG SER 6 8.863 1.212 0.733
53 H LYS 7 HN LYS 7 11.821 0.635 -1.703
54 HA LYS 7 HA LYS 7 9.978 -1.449 -2.116
55 HB2 LYS 7 HB2 LYS 7 12.826 -0.974 -3.016
56 HB3 LYS 7 HB1 LYS 7 11.835 -2.275 -3.675
57 HG2 LYS 7 HG2 LYS 7 10.557 0.402 -3.598
58 HG3 LYS 7 HG1 LYS 7 11.901 0.230 -4.726
59 HD2 LYS 7 HD2 LYS 7 9.618 -1.753 -4.589
60 HD3 LYS 7 HD1 LYS 7 9.602 -0.354 -5.662
61 HE2 LYS 7 HE2 LYS 7 11.548 -1.137 -6.849
62 HE3 LYS 7 HE1 LYS 7 11.843 -2.402 -5.642
63 HZ1 LYS 7 HZ1 LYS 7 10.061 -3.623 -6.350
64 HZ2 LYS 7 HZ2 LYS 7 10.475 -2.893 -7.828
65 HZ3 LYS 7 HZ3 LYS 7 9.196 -2.270 -6.897
66 H PHE 8 HN PHE 8 12.894 -1.422 -0.155
67 HA PHE 8 HA PHE 8 12.592 -4.367 0.338
68 HB2 PHE 8 HB2 PHE 8 14.763 -2.611 -0.273
69 HB3 PHE 8 HB1 PHE 8 15.007 -3.217 1.361
70 HD1 PHE 8 HD1 PHE 8 16.650 -4.898 1.191
71 HD2 PHE 8 HD2 PHE 8 13.367 -4.848 -1.579
72 HE1 PHE 8 HE1 PHE 8 17.382 -7.086 0.284
73 HE2 PHE 8 HE2 PHE 8 14.100 -7.036 -2.487
74 HZ PHE 8 HZ PHE 8 16.106 -8.156 -1.555
75 H LEU 9 HN LEU 9 12.627 -1.174 1.725
76 HA LEU 9 HA LEU 9 12.717 -2.110 4.506
77 HB2 LEU 9 HB2 LEU 9 13.833 -0.109 4.176
78 HB3 LEU 9 HB1 LEU 9 12.765 0.398 2.887
79 HG LEU 9 HG LEU 9 11.031 0.928 4.446
80 HD11 LEU 9 HD11 LEU 9 12.764 -0.624 6.283
81 HD12 LEU 9 HD12 LEU 9 11.005 -0.498 6.238
82 HD13 LEU 9 HD13 LEU 9 11.962 0.779 6.990
83 HD21 LEU 9 HD21 LEU 9 12.797 2.350 6.084
84 HD22 LEU 9 HD22 LEU 9 12.117 2.905 4.553
85 HD23 LEU 9 HD23 LEU 9 13.687 2.100 4.581
86 H GLY 10 HN GLY 10 10.514 -0.190 2.472
87 HA2 GLY 10 HA2 GLY 10 8.298 -0.092 4.206
88 HA3 GLY 10 HA1 GLY 10 8.157 -0.063 2.453
89 H ARG 11 HN ARG 11 9.488 -2.749 2.276
90 HA ARG 11 HA ARG 11 7.147 -4.388 2.229
91 HB2 ARG 11 HB2 ARG 11 8.594 -5.892 1.285
92 HB3 ARG 11 HB1 ARG 11 9.590 -4.445 1.149
93 HG2 ARG 11 HG2 ARG 11 10.669 -5.013 3.313
94 HG3 ARG 11 HG1 ARG 11 9.718 -6.501 3.374
95 HD2 ARG 11 HD2 ARG 11 10.874 -6.398 0.794
96 HD3 ARG 11 HD1 ARG 11 12.171 -6.017 1.946
97 HE ARG 11 HE ARG 11 10.465 -8.228 2.813
98 HH11 ARG 11 HH11 ARG 11 11.427 -10.255 2.915
99 HH12 ARG 11 HH12 ARG 11 12.948 -10.526 2.134
100 HH21 ARG 11 HH21 ARG 11 13.232 -7.294 0.929
101 HH22 ARG 11 HH22 ARG 11 13.961 -8.859 1.017
102 H ILE 12 HN ILE 12 9.561 -3.797 4.717
103 HA ILE 12 HA ILE 12 8.640 -6.040 6.403
104 HB ILE 12 HB ILE 12 10.407 -3.755 7.265
105 HG12 ILE 12 HG12 ILE 12 10.889 -5.727 5.096
106 HG13 ILE 12 HG11 ILE 12 11.537 -4.103 5.298
107 HG21 ILE 12 HG21 ILE 12 11.382 -5.368 8.681
108 HG22 ILE 12 HG22 ILE 12 10.812 -6.713 7.691
109 HG23 ILE 12 HG23 ILE 12 9.675 -5.810 8.691
110 HD11 ILE 12 HD11 ILE 12 12.823 -5.134 7.324
111 HD12 ILE 12 HD12 ILE 12 13.415 -5.453 5.695
112 HD13 ILE 12 HD13 ILE 12 12.476 -6.677 6.545
113 H LEU 13 HN LEU 13 7.813 -2.740 5.860
114 HA LEU 13 HA LEU 13 6.742 -2.210 8.513
115 HB2 LEU 13 HB2 LEU 13 6.287 -0.745 5.910
116 HB3 LEU 13 HB1 LEU 13 6.324 -0.087 7.530
117 HG LEU 13 HG LEU 13 8.615 -0.999 5.841
118 HD11 LEU 13 HD11 LEU 13 7.694 1.480 7.176
119 HD12 LEU 13 HD12 LEU 13 8.562 1.276 5.654
120 HD13 LEU 13 HD13 LEU 13 9.434 1.194 7.185
121 HD21 LEU 13 HD21 LEU 13 9.341 -2.143 7.688
122 HD22 LEU 13 HD22 LEU 13 8.360 -1.180 8.797
123 HD23 LEU 13 HD23 LEU 13 9.871 -0.528 8.163
Start of MODEL 18
1 H1 PHE 1 HT1 PHE 1 12.223 10.639 2.331
2 H2 PHE 1 HT2 PHE 1 11.334 11.958 1.732
3 H3 PHE 1 HT3 PHE 1 12.804 11.518 1.002
4 HA PHE 1 HA PHE 1 10.412 9.751 1.069
5 HB2 PHE 1 HB2 PHE 1 11.443 11.772 -0.945
6 HB3 PHE 1 HB1 PHE 1 10.227 10.554 -1.330
7 HD1 PHE 1 HD1 PHE 1 8.071 10.504 0.012
8 HD2 PHE 1 HD2 PHE 1 10.860 13.765 0.210
9 HE1 PHE 1 HE1 PHE 1 6.307 11.954 0.984
10 HE2 PHE 1 HE2 PHE 1 9.097 15.215 1.181
11 HZ PHE 1 HZ PHE 1 6.821 14.308 1.568
12 H VAL 2 HN VAL 2 11.006 7.706 0.467
13 HA VAL 2 HA VAL 2 13.459 7.350 -1.208
14 HB VAL 2 HB VAL 2 13.402 5.246 0.651
15 HG11 VAL 2 HG11 VAL 2 15.388 6.419 -0.276
16 HG12 VAL 2 HG12 VAL 2 15.461 6.293 1.481
17 HG13 VAL 2 HG13 VAL 2 15.009 7.820 0.725
18 HG21 VAL 2 HG21 VAL 2 13.269 6.354 2.819
19 HG22 VAL 2 HG22 VAL 2 11.759 6.624 1.947
20 HG23 VAL 2 HG23 VAL 2 12.966 7.908 2.042
21 H GLN 3 HN GLN 3 12.615 6.363 -3.020
22 HA GLN 3 HA GLN 3 10.345 4.468 -2.750
23 HB2 GLN 3 HB2 GLN 3 10.186 4.746 -5.135
24 HB3 GLN 3 HB1 GLN 3 10.542 6.342 -4.475
25 HG2 GLN 3 HG2 GLN 3 12.958 5.963 -4.949
26 HG3 GLN 3 HG1 GLN 3 12.547 4.414 -5.686
27 HE21 GLN 3 HE21 GLN 3 13.675 6.971 -6.932
28 HE22 GLN 3 HE22 GLN 3 12.609 7.327 -8.204
29 H TRP 4 HN TRP 4 13.751 4.555 -3.759
30 HA TRP 4 HA TRP 4 13.840 1.747 -4.534
31 HB2 TRP 4 HB2 TRP 4 15.384 4.062 -4.810
32 HB3 TRP 4 HB1 TRP 4 16.362 3.015 -3.783
33 HD1 TRP 4 HD1 TRP 4 15.504 0.221 -4.980
34 HE1 TRP 4 HE1 TRP 4 16.322 -0.466 -7.326
35 HE3 TRP 4 HE3 TRP 4 16.604 4.818 -6.915
36 HZ2 TRP 4 HZ2 TRP 4 17.311 0.769 -9.708
37 HZ3 TRP 4 HZ3 TRP 4 17.481 5.033 -9.222
38 HH2 TRP 4 HH2 TRP 4 17.836 3.017 -10.621
39 H PHE 5 HN PHE 5 14.592 3.630 -1.631
40 HA PHE 5 HA PHE 5 15.763 1.378 -0.179
41 HB2 PHE 5 HB2 PHE 5 15.831 4.103 -0.020
42 HB3 PHE 5 HB1 PHE 5 14.674 3.732 1.259
43 HD1 PHE 5 HD1 PHE 5 17.583 4.848 1.512
44 HD2 PHE 5 HD2 PHE 5 15.900 0.907 1.811
45 HE1 PHE 5 HE1 PHE 5 19.448 4.165 2.997
46 HE2 PHE 5 HE2 PHE 5 17.765 0.224 3.297
47 HZ PHE 5 HZ PHE 5 19.539 1.853 3.889
48 H SER 6 HN SER 6 12.561 2.652 -0.719
49 HA SER 6 HA SER 6 11.354 1.364 1.629
50 HB2 SER 6 HB2 SER 6 10.318 3.355 0.880
51 HB3 SER 6 HB1 SER 6 10.412 2.868 -0.813
52 HG SER 6 HG SER 6 8.303 2.645 0.118
53 H LYS 7 HN LYS 7 12.063 0.529 -1.684
54 HA LYS 7 HA LYS 7 10.130 -1.528 -2.129
55 HB2 LYS 7 HB2 LYS 7 12.949 -1.004 -3.093
56 HB3 LYS 7 HB1 LYS 7 11.960 -2.312 -3.739
57 HG2 LYS 7 HG2 LYS 7 10.431 0.140 -3.665
58 HG3 LYS 7 HG1 LYS 7 11.938 0.395 -4.542
59 HD2 LYS 7 HD2 LYS 7 10.437 -2.113 -5.126
60 HD3 LYS 7 HD1 LYS 7 9.750 -0.606 -5.734
61 HE2 LYS 7 HE2 LYS 7 11.511 -0.242 -7.196
62 HE3 LYS 7 HE1 LYS 7 12.684 -1.062 -6.147
63 HZ1 LYS 7 HZ1 LYS 7 10.458 -2.396 -7.607
64 HZ2 LYS 7 HZ2 LYS 7 11.625 -3.166 -6.642
65 HZ3 LYS 7 HZ3 LYS 7 12.082 -2.415 -8.096
66 H PHE 8 HN PHE 8 12.821 -1.412 0.021
67 HA PHE 8 HA PHE 8 12.797 -4.396 0.304
68 HB2 PHE 8 HB2 PHE 8 14.851 -2.551 -0.147
69 HB3 PHE 8 HB1 PHE 8 14.978 -2.926 1.568
70 HD1 PHE 8 HD1 PHE 8 14.145 -4.848 -1.554
71 HD2 PHE 8 HD2 PHE 8 16.483 -4.627 2.042
72 HE1 PHE 8 HE1 PHE 8 15.203 -7.023 -2.108
73 HE2 PHE 8 HE2 PHE 8 17.541 -6.801 1.489
74 HZ PHE 8 HZ PHE 8 16.901 -7.999 -0.586
75 H LEU 9 HN LEU 9 12.886 -1.297 2.040
76 HA LEU 9 HA LEU 9 12.385 -2.611 4.637
77 HB2 LEU 9 HB2 LEU 9 12.512 0.326 3.895
78 HB3 LEU 9 HB1 LEU 9 12.779 -0.386 5.485
79 HG LEU 9 HG LEU 9 14.522 -0.673 3.026
80 HD11 LEU 9 HD11 LEU 9 14.979 0.441 5.811
81 HD12 LEU 9 HD12 LEU 9 14.907 1.364 4.309
82 HD13 LEU 9 HD13 LEU 9 16.241 0.247 4.595
83 HD21 LEU 9 HD21 LEU 9 14.819 -2.793 3.842
84 HD22 LEU 9 HD22 LEU 9 14.236 -2.366 5.450
85 HD23 LEU 9 HD23 LEU 9 15.887 -1.963 4.975
86 H GLY 10 HN GLY 10 10.739 -0.373 2.390
87 HA2 GLY 10 HA2 GLY 10 8.384 0.034 3.928
88 HA3 GLY 10 HA1 GLY 10 8.463 0.157 2.171
89 H ARG 11 HN ARG 11 9.490 -2.723 2.134
90 HA ARG 11 HA ARG 11 6.923 -4.011 1.748
91 HB2 ARG 11 HB2 ARG 11 9.703 -5.204 2.004
92 HB3 ARG 11 HB1 ARG 11 8.322 -5.922 1.176
93 HG2 ARG 11 HG2 ARG 11 9.843 -3.424 0.386
94 HG3 ARG 11 HG1 ARG 11 9.722 -4.934 -0.513
95 HD2 ARG 11 HD2 ARG 11 8.072 -3.763 -1.625
96 HD3 ARG 11 HD1 ARG 11 7.083 -4.337 -0.267
97 HE ARG 11 HE ARG 11 8.546 -1.872 0.321
98 HH11 ARG 11 HH11 ARG 11 7.310 -0.019 0.617
99 HH12 ARG 11 HH12 ARG 11 5.648 -0.005 0.131
100 HH21 ARG 11 HH21 ARG 11 5.663 -3.263 -1.038
101 HH22 ARG 11 HH22 ARG 11 4.725 -1.830 -0.799
102 H ILE 12 HN ILE 12 9.065 -3.624 4.452
103 HA ILE 12 HA ILE 12 7.553 -5.710 5.989
104 HB ILE 12 HB ILE 12 10.072 -4.689 7.100
105 HG12 ILE 12 HG12 ILE 12 10.016 -5.922 4.340
106 HG13 ILE 12 HG11 ILE 12 10.789 -4.417 4.833
107 HG21 ILE 12 HG21 ILE 12 10.216 -6.836 7.842
108 HG22 ILE 12 HG22 ILE 12 9.815 -7.507 6.261
109 HG23 ILE 12 HG23 ILE 12 8.531 -6.942 7.330
110 HD11 ILE 12 HD11 ILE 12 12.186 -5.873 6.439
111 HD12 ILE 12 HD12 ILE 12 12.568 -5.978 4.720
112 HD13 ILE 12 HD13 ILE 12 11.615 -7.246 5.489
113 H LEU 13 HN LEU 13 8.695 -2.382 5.895
114 HA LEU 13 HA LEU 13 7.745 -1.767 8.601
115 HB2 LEU 13 HB2 LEU 13 9.252 -0.540 6.347
116 HB3 LEU 13 HB1 LEU 13 8.471 0.554 7.472
117 HG LEU 13 HG LEU 13 9.602 -1.217 9.196
118 HD11 LEU 13 HD11 LEU 13 11.722 -1.946 8.439
119 HD12 LEU 13 HD12 LEU 13 11.685 -0.870 7.042
120 HD13 LEU 13 HD13 LEU 13 10.642 -2.293 7.087
121 HD21 LEU 13 HD21 LEU 13 11.217 0.500 9.657
122 HD22 LEU 13 HD22 LEU 13 9.761 1.321 9.094
123 HD23 LEU 13 HD23 LEU 13 11.131 1.107 8.005
Start of MODEL 19
1 H1 PHE 1 HT1 PHE 1 13.143 12.153 -0.558
2 H2 PHE 1 HT2 PHE 1 11.642 12.887 -0.247
3 H3 PHE 1 HT3 PHE 1 11.922 12.115 -1.735
4 HA PHE 1 HA PHE 1 11.524 10.876 0.927
5 HB2 PHE 1 HB2 PHE 1 10.329 10.389 -1.817
6 HB3 PHE 1 HB1 PHE 1 9.712 9.809 -0.269
7 HD1 PHE 1 HD1 PHE 1 10.079 12.725 -2.484
8 HD2 PHE 1 HD2 PHE 1 8.602 11.327 1.299
9 HE1 PHE 1 HE1 PHE 1 8.767 14.813 -2.226
10 HE2 PHE 1 HE2 PHE 1 7.289 13.416 1.558
11 HZ PHE 1 HZ PHE 1 7.372 15.158 -0.205
12 H VAL 2 HN VAL 2 11.195 8.290 0.019
13 HA VAL 2 HA VAL 2 13.735 7.574 -1.383
14 HB VAL 2 HB VAL 2 13.538 5.705 0.627
15 HG11 VAL 2 HG11 VAL 2 15.619 6.739 0.096
16 HG12 VAL 2 HG12 VAL 2 15.293 7.186 1.770
17 HG13 VAL 2 HG13 VAL 2 15.000 8.347 0.475
18 HG21 VAL 2 HG21 VAL 2 12.792 8.385 1.830
19 HG22 VAL 2 HG22 VAL 2 13.020 6.863 2.690
20 HG23 VAL 2 HG23 VAL 2 11.649 7.062 1.598
21 H GLN 3 HN GLN 3 13.069 6.324 -3.086
22 HA GLN 3 HA GLN 3 10.621 4.645 -2.781
23 HB2 GLN 3 HB2 GLN 3 10.501 4.785 -5.151
24 HB3 GLN 3 HB1 GLN 3 11.068 6.378 -4.648
25 HG2 GLN 3 HG2 GLN 3 13.427 5.568 -5.020
26 HG3 GLN 3 HG1 GLN 3 12.752 4.090 -5.706
27 HE21 GLN 3 HE21 GLN 3 12.009 7.616 -6.071
28 HE22 GLN 3 HE22 GLN 3 11.998 7.581 -7.769
29 H TRP 4 HN TRP 4 14.081 4.461 -3.525
30 HA TRP 4 HA TRP 4 14.023 1.599 -4.138
31 HB2 TRP 4 HB2 TRP 4 15.773 3.840 -4.357
32 HB3 TRP 4 HB1 TRP 4 16.617 2.605 -3.422
33 HD1 TRP 4 HD1 TRP 4 16.195 -0.009 -4.602
34 HE1 TRP 4 HE1 TRP 4 16.593 -0.610 -7.077
35 HE3 TRP 4 HE3 TRP 4 15.950 4.646 -6.692
36 HZ2 TRP 4 HZ2 TRP 4 16.782 0.710 -9.609
37 HZ3 TRP 4 HZ3 TRP 4 16.243 4.944 -9.134
38 HH2 TRP 4 HH2 TRP 4 16.658 2.983 -10.594
39 H PHE 5 HN PHE 5 14.698 3.623 -1.314
40 HA PHE 5 HA PHE 5 15.716 1.402 0.305
41 HB2 PHE 5 HB2 PHE 5 16.205 3.959 0.390
42 HB3 PHE 5 HB1 PHE 5 14.693 4.064 1.292
43 HD1 PHE 5 HD1 PHE 5 15.007 4.159 3.592
44 HD2 PHE 5 HD2 PHE 5 17.615 1.695 1.229
45 HE1 PHE 5 HE1 PHE 5 16.183 3.432 5.649
46 HE2 PHE 5 HE2 PHE 5 18.792 0.968 3.288
47 HZ PHE 5 HZ PHE 5 18.075 1.836 5.499
48 H SER 6 HN SER 6 12.607 2.800 -0.424
49 HA SER 6 HA SER 6 11.307 1.563 1.936
50 HB2 SER 6 HB2 SER 6 10.904 3.860 0.552
51 HB3 SER 6 HB1 SER 6 9.757 2.806 -0.276
52 HG SER 6 HG SER 6 9.080 3.990 1.733
53 H LYS 7 HN LYS 7 11.873 0.926 -1.444
54 HA LYS 7 HA LYS 7 9.686 -0.877 -1.949
55 HB2 LYS 7 HB2 LYS 7 12.265 -0.047 -3.131
56 HB3 LYS 7 HB1 LYS 7 11.742 -1.669 -3.579
57 HG2 LYS 7 HG2 LYS 7 9.419 -0.126 -3.747
58 HG3 LYS 7 HG1 LYS 7 10.676 0.911 -4.421
59 HD2 LYS 7 HD2 LYS 7 11.311 -1.486 -5.567
60 HD3 LYS 7 HD1 LYS 7 9.555 -1.619 -5.465
61 HE2 LYS 7 HE2 LYS 7 9.281 0.490 -6.674
62 HE3 LYS 7 HE1 LYS 7 11.038 0.741 -6.685
63 HZ1 LYS 7 HZ1 LYS 7 11.296 -0.744 -8.322
64 HZ2 LYS 7 HZ2 LYS 7 9.616 -0.647 -8.560
65 HZ3 LYS 7 HZ3 LYS 7 10.268 -1.874 -7.583
66 H PHE 8 HN PHE 8 12.678 -1.208 -0.206
67 HA PHE 8 HA PHE 8 12.389 -4.185 -0.157
68 HB2 PHE 8 HB2 PHE 8 14.536 -2.386 -0.530
69 HB3 PHE 8 HB1 PHE 8 14.777 -3.096 1.063
70 HD1 PHE 8 HD1 PHE 8 14.825 -3.670 -2.524
71 HD2 PHE 8 HD2 PHE 8 14.842 -5.601 1.313
72 HE1 PHE 8 HE1 PHE 8 15.625 -5.765 -3.582
73 HE2 PHE 8 HE2 PHE 8 15.642 -7.697 0.255
74 HZ PHE 8 HZ PHE 8 16.033 -7.779 -2.193
75 H LEU 9 HN LEU 9 12.547 -1.273 1.828
76 HA LEU 9 HA LEU 9 12.378 -2.823 4.342
77 HB2 LEU 9 HB2 LEU 9 12.308 0.164 3.809
78 HB3 LEU 9 HB1 LEU 9 12.669 -0.626 5.341
79 HG LEU 9 HG LEU 9 14.308 -0.918 2.811
80 HD11 LEU 9 HD11 LEU 9 15.416 0.939 3.438
81 HD12 LEU 9 HD12 LEU 9 15.694 0.259 5.042
82 HD13 LEU 9 HD13 LEU 9 14.227 1.184 4.718
83 HD21 LEU 9 HD21 LEU 9 14.342 -2.186 5.510
84 HD22 LEU 9 HD22 LEU 9 15.903 -1.766 4.803
85 HD23 LEU 9 HD23 LEU 9 14.813 -2.857 3.948
86 H GLY 10 HN GLY 10 10.455 -0.363 2.591
87 HA2 GLY 10 HA2 GLY 10 8.227 -0.245 4.288
88 HA3 GLY 10 HA1 GLY 10 8.124 -0.036 2.540
89 H ARG 11 HN ARG 11 9.236 -2.819 2.163
90 HA ARG 11 HA ARG 11 6.705 -4.218 2.053
91 HB2 ARG 11 HB2 ARG 11 7.921 -5.705 0.785
92 HB3 ARG 11 HB1 ARG 11 8.983 -4.303 0.685
93 HG2 ARG 11 HG2 ARG 11 10.239 -5.176 2.660
94 HG3 ARG 11 HG1 ARG 11 9.240 -6.631 2.605
95 HD2 ARG 11 HD2 ARG 11 10.181 -6.136 -0.037
96 HD3 ARG 11 HD1 ARG 11 11.578 -6.047 1.056
97 HE ARG 11 HE ARG 11 9.968 -8.431 0.526
98 HH11 ARG 11 HH11 ARG 11 10.557 -10.299 1.629
99 HH12 ARG 11 HH12 ARG 11 11.615 -10.192 2.997
100 HH21 ARG 11 HH21 ARG 11 11.951 -6.751 2.834
101 HH22 ARG 11 HH22 ARG 11 12.396 -8.197 3.671
102 H ILE 12 HN ILE 12 9.221 -3.956 4.438
103 HA ILE 12 HA ILE 12 8.166 -6.335 5.919
104 HB ILE 12 HB ILE 12 10.543 -4.792 6.841
105 HG12 ILE 12 HG12 ILE 12 10.451 -6.333 4.243
106 HG13 ILE 12 HG11 ILE 12 11.002 -4.677 4.492
107 HG21 ILE 12 HG21 ILE 12 11.337 -6.948 7.440
108 HG22 ILE 12 HG22 ILE 12 10.248 -7.749 6.307
109 HG23 ILE 12 HG23 ILE 12 9.605 -7.001 7.768
110 HD11 ILE 12 HD11 ILE 12 12.787 -5.643 6.036
111 HD12 ILE 12 HD12 ILE 12 12.981 -6.012 4.322
112 HD13 ILE 12 HD13 ILE 12 12.331 -7.231 5.419
113 H LEU 13 HN LEU 13 8.598 -2.852 6.038
114 HA LEU 13 HA LEU 13 7.876 -2.551 8.834
115 HB2 LEU 13 HB2 LEU 13 8.420 -0.873 6.409
116 HB3 LEU 13 HB1 LEU 13 7.761 -0.123 7.847
117 HG LEU 13 HG LEU 13 9.721 -1.571 8.980
118 HD11 LEU 13 HD11 LEU 13 10.482 -2.512 6.841
119 HD12 LEU 13 HD12 LEU 13 11.725 -1.458 7.519
120 HD13 LEU 13 HD13 LEU 13 10.709 -0.885 6.197
121 HD21 LEU 13 HD21 LEU 13 10.649 0.468 9.425
122 HD22 LEU 13 HD22 LEU 13 9.211 1.076 8.608
123 HD23 LEU 13 HD23 LEU 13 10.725 0.913 7.720
Start of MODEL 20
1 H1 PHE 1 HT1 PHE 1 12.845 12.167 0.696
2 H2 PHE 1 HT2 PHE 1 13.213 10.718 1.505
3 H3 PHE 1 HT3 PHE 1 11.821 11.599 1.923
4 HA PHE 1 HA PHE 1 10.764 10.146 0.575
5 HB2 PHE 1 HB2 PHE 1 12.151 12.177 -1.184
6 HB3 PHE 1 HB1 PHE 1 10.943 11.065 -1.830
7 HD1 PHE 1 HD1 PHE 1 8.599 11.155 -1.050
8 HD2 PHE 1 HD2 PHE 1 11.536 13.977 0.316
9 HE1 PHE 1 HE1 PHE 1 6.791 12.622 -0.194
10 HE2 PHE 1 HE2 PHE 1 9.728 15.443 1.172
11 HZ PHE 1 HZ PHE 1 7.356 14.766 0.918
12 H VAL 2 HN VAL 2 11.355 8.024 0.308
13 HA VAL 2 HA VAL 2 13.647 7.431 -1.529
14 HB VAL 2 HB VAL 2 13.534 5.428 0.457
15 HG11 VAL 2 HG11 VAL 2 15.369 7.828 0.175
16 HG12 VAL 2 HG12 VAL 2 15.556 6.285 -0.656
17 HG13 VAL 2 HG13 VAL 2 15.733 6.368 1.095
18 HG21 VAL 2 HG21 VAL 2 13.699 6.701 2.543
19 HG22 VAL 2 HG22 VAL 2 12.137 7.005 1.783
20 HG23 VAL 2 HG23 VAL 2 13.422 8.208 1.668
21 H GLN 3 HN GLN 3 12.759 6.303 -3.217
22 HA GLN 3 HA GLN 3 10.377 4.575 -2.711
23 HB2 GLN 3 HB2 GLN 3 9.922 4.898 -5.021
24 HB3 GLN 3 HB1 GLN 3 10.545 6.457 -4.481
25 HG2 GLN 3 HG2 GLN 3 12.848 5.651 -5.218
26 HG3 GLN 3 HG1 GLN 3 12.030 4.294 -5.992
27 HE21 GLN 3 HE21 GLN 3 12.522 7.797 -6.135
28 HE22 GLN 3 HE22 GLN 3 11.808 8.014 -7.660
29 H TRP 4 HN TRP 4 13.712 4.526 -3.864
30 HA TRP 4 HA TRP 4 13.620 1.738 -4.749
31 HB2 TRP 4 HB2 TRP 4 15.411 4.038 -4.739
32 HB3 TRP 4 HB1 TRP 4 16.270 2.553 -4.331
33 HD1 TRP 4 HD1 TRP 4 14.901 0.442 -6.071
34 HE1 TRP 4 HE1 TRP 4 15.032 0.514 -8.644
35 HE3 TRP 4 HE3 TRP 4 16.003 5.380 -6.757
36 HZ2 TRP 4 HZ2 TRP 4 15.538 2.417 -10.720
37 HZ3 TRP 4 HZ3 TRP 4 16.304 6.296 -9.040
38 HH2 TRP 4 HH2 TRP 4 16.073 4.822 -11.021
39 H PHE 5 HN PHE 5 14.487 3.490 -1.814
40 HA PHE 5 HA PHE 5 15.683 1.116 -0.539
41 HB2 PHE 5 HB2 PHE 5 16.309 3.620 -0.292
42 HB3 PHE 5 HB1 PHE 5 14.894 3.730 0.754
43 HD1 PHE 5 HD1 PHE 5 15.270 3.454 3.030
44 HD2 PHE 5 HD2 PHE 5 17.811 1.414 0.232
45 HE1 PHE 5 HE1 PHE 5 16.587 2.513 4.911
46 HE2 PHE 5 HE2 PHE 5 19.126 0.472 2.111
47 HZ PHE 5 HZ PHE 5 18.514 1.022 4.451
48 H SER 6 HN SER 6 12.613 2.852 -0.569
49 HA SER 6 HA SER 6 11.482 1.620 1.790
50 HB2 SER 6 HB2 SER 6 9.424 2.604 0.928
51 HB3 SER 6 HB1 SER 6 10.746 3.735 0.644
52 HG SER 6 HG SER 6 9.389 3.401 -1.199
53 H LYS 7 HN LYS 7 11.878 0.617 -1.529
54 HA LYS 7 HA LYS 7 9.824 -1.345 -1.749
55 HB2 LYS 7 HB2 LYS 7 12.604 -1.029 -2.899
56 HB3 LYS 7 HB1 LYS 7 11.501 -2.298 -3.432
57 HG2 LYS 7 HG2 LYS 7 10.264 0.368 -3.338
58 HG3 LYS 7 HG1 LYS 7 11.603 0.256 -4.480
59 HD2 LYS 7 HD2 LYS 7 10.037 -2.122 -4.725
60 HD3 LYS 7 HD1 LYS 7 8.940 -0.743 -4.778
61 HE2 LYS 7 HE2 LYS 7 9.955 0.153 -6.697
62 HE3 LYS 7 HE1 LYS 7 11.485 -0.696 -6.399
63 HZ1 LYS 7 HZ1 LYS 7 10.391 -1.929 -8.072
64 HZ2 LYS 7 HZ2 LYS 7 8.891 -1.843 -7.277
65 HZ3 LYS 7 HZ3 LYS 7 10.137 -2.808 -6.642
66 H PHE 8 HN PHE 8 12.809 -1.329 0.050
67 HA PHE 8 HA PHE 8 12.529 -4.261 0.612
68 HB2 PHE 8 HB2 PHE 8 14.674 -2.505 -0.119
69 HB3 PHE 8 HB1 PHE 8 14.991 -3.123 1.497
70 HD1 PHE 8 HD1 PHE 8 15.391 -3.802 -1.924
71 HD2 PHE 8 HD2 PHE 8 14.423 -5.736 1.788
72 HE1 PHE 8 HE1 PHE 8 16.065 -5.985 -2.887
73 HE2 PHE 8 HE2 PHE 8 15.097 -7.920 0.825
74 HZ PHE 8 HZ PHE 8 15.918 -8.045 -1.512
75 H LEU 9 HN LEU 9 12.600 -1.033 1.922
76 HA LEU 9 HA LEU 9 12.783 -1.917 4.723
77 HB2 LEU 9 HB2 LEU 9 13.947 0.045 4.308
78 HB3 LEU 9 HB1 LEU 9 12.840 0.563 3.057
79 HG LEU 9 HG LEU 9 11.170 1.116 4.717
80 HD11 LEU 9 HD11 LEU 9 13.237 0.354 6.796
81 HD12 LEU 9 HD12 LEU 9 11.874 -0.672 6.351
82 HD13 LEU 9 HD13 LEU 9 11.587 0.899 7.098
83 HD21 LEU 9 HD21 LEU 9 13.223 2.549 6.101
84 HD22 LEU 9 HD22 LEU 9 12.154 3.134 4.825
85 HD23 LEU 9 HD23 LEU 9 13.697 2.386 4.410
86 H GLY 10 HN GLY 10 10.566 -0.003 2.692
87 HA2 GLY 10 HA2 GLY 10 8.396 -0.027 4.580
88 HA3 GLY 10 HA1 GLY 10 8.236 0.334 2.861
89 H ARG 11 HN ARG 11 9.519 -2.305 2.201
90 HA ARG 11 HA ARG 11 7.144 -3.886 1.904
91 HB2 ARG 11 HB2 ARG 11 8.559 -4.830 0.430
92 HB3 ARG 11 HB1 ARG 11 9.851 -3.812 1.059
93 HG2 ARG 11 HG2 ARG 11 10.389 -5.480 2.755
94 HG3 ARG 11 HG1 ARG 11 9.034 -6.482 2.233
95 HD2 ARG 11 HD2 ARG 11 10.259 -6.211 -0.136
96 HD3 ARG 11 HD1 ARG 11 11.675 -6.042 0.918
97 HE ARG 11 HE ARG 11 10.314 -8.190 2.007
98 HH11 ARG 11 HH11 ARG 11 10.662 -10.330 1.404
99 HH12 ARG 11 HH12 ARG 11 11.267 -10.689 -0.178
100 HH21 ARG 11 HH21 ARG 11 11.444 -7.378 -1.177
101 HH22 ARG 11 HH22 ARG 11 11.707 -9.028 -1.627
102 H ILE 12 HN ILE 12 9.410 -3.532 4.504
103 HA ILE 12 HA ILE 12 8.680 -6.125 5.752
104 HB ILE 12 HB ILE 12 10.318 -3.964 7.048
105 HG12 ILE 12 HG12 ILE 12 11.048 -5.516 4.576
106 HG13 ILE 12 HG11 ILE 12 11.284 -3.803 4.910
107 HG21 ILE 12 HG21 ILE 12 9.747 -6.408 7.882
108 HG22 ILE 12 HG22 ILE 12 11.365 -5.745 8.116
109 HG23 ILE 12 HG23 ILE 12 11.052 -6.860 6.786
110 HD11 ILE 12 HD11 ILE 12 12.762 -6.133 6.159
111 HD12 ILE 12 HD12 ILE 12 12.884 -4.474 6.746
112 HD13 ILE 12 HD13 ILE 12 13.435 -4.876 5.119
113 H LEU 13 HN LEU 13 8.078 -2.679 6.024
114 HA LEU 13 HA LEU 13 6.703 -2.855 8.593
115 HB2 LEU 13 HB2 LEU 13 7.382 -0.823 6.489
116 HB3 LEU 13 HB1 LEU 13 6.288 -0.407 7.789
117 HG LEU 13 HG LEU 13 8.235 -1.555 9.233
118 HD11 LEU 13 HD11 LEU 13 9.644 -0.342 6.838
119 HD12 LEU 13 HD12 LEU 13 9.580 -2.063 7.217
120 HD13 LEU 13 HD13 LEU 13 10.427 -0.954 8.295
121 HD21 LEU 13 HD21 LEU 13 9.004 1.176 8.478
122 HD22 LEU 13 HD22 LEU 13 8.486 0.550 10.043
123 HD23 LEU 13 HD23 LEU 13 7.284 1.008 8.836