Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
629193 | 6gs9 RC | 34284 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 42.240 2.497 2.349
2 H2 GLY 1 HT2 GLY 1 41.734 1.802 0.883
3 H3 GLY 1 HT3 GLY 1 41.254 1.119 2.364
4 HA2 GLY 1 HA1 GLY 1 39.484 2.341 2.396
5 HA3 GLY 1 HA2 GLY 1 40.507 3.772 2.388
6 H LEU 2 HN LEU 2 38.010 2.406 0.880
7 HA LEU 2 HA LEU 2 38.173 4.121 -1.390
8 HB2 LEU 2 HB2 LEU 2 38.355 2.533 -3.161
9 HB3 LEU 2 HB1 LEU 2 39.687 2.198 -2.061
10 HG LEU 2 HG LEU 2 37.075 0.668 -2.285
11 HD11 LEU 2 HD11 LEU 2 39.958 -0.188 -2.665
12 HD12 LEU 2 HD12 LEU 2 38.848 0.206 -3.978
13 HD13 LEU 2 HD13 LEU 2 38.525 -1.180 -2.936
14 HD21 LEU 2 HD21 LEU 2 38.251 -0.837 -0.539
15 HD22 LEU 2 HD22 LEU 2 37.543 0.662 0.050
16 HD23 LEU 2 HD23 LEU 2 39.284 0.555 -0.214
17 H PHE 3 HN PHE 3 36.581 2.408 0.862
18 HA PHE 3 HA PHE 3 33.988 2.503 -0.602
19 HB2 PHE 3 HB2 PHE 3 34.725 0.187 -0.051
20 HB3 PHE 3 HB1 PHE 3 34.762 0.634 1.655
21 HD1 PHE 3 HD1 PHE 3 32.565 0.219 -1.321
22 HD2 PHE 3 HD2 PHE 3 32.727 0.864 2.944
23 HE1 PHE 3 HE1 PHE 3 30.116 -0.214 -1.162
24 HE2 PHE 3 HE2 PHE 3 30.279 0.430 3.103
25 HZ PHE 3 HZ PHE 3 28.966 -0.067 1.044
26 H ASP 4 HN ASP 4 35.695 2.963 2.460
27 HA ASP 4 HA ASP 4 33.407 4.051 3.832
28 HB2 ASP 4 HB2 ASP 4 35.025 4.611 5.596
29 HB3 ASP 4 HB1 ASP 4 35.232 2.943 5.059
30 H ILE 5 HN ILE 5 36.098 5.309 1.965
31 HA ILE 5 HA ILE 5 35.717 8.054 2.704
32 HB ILE 5 HB ILE 5 37.047 7.050 0.171
33 HG12 ILE 5 HG12 ILE 5 38.206 7.318 2.967
34 HG13 ILE 5 HG11 ILE 5 37.941 5.805 2.103
35 HG21 ILE 5 HG21 ILE 5 37.730 9.443 1.901
36 HG22 ILE 5 HG22 ILE 5 36.578 9.542 0.570
37 HG23 ILE 5 HG23 ILE 5 38.254 9.110 0.250
38 HD11 ILE 5 HD1 ILE 5 39.928 7.993 1.481
39 HD12 ILE 5 HD2 ILE 5 39.455 6.814 0.258
40 HD13 ILE 5 HD3 ILE 5 40.234 6.278 1.746
41 H VAL 6 HN VAL 6 34.636 5.994 0.039
42 HA VAL 6 HA VAL 6 33.560 7.823 -1.709
43 HB VAL 6 HB VAL 6 32.281 5.199 -0.884
44 HG11 VAL 6 HG11 VAL 6 30.700 6.479 -2.159
45 HG12 VAL 6 HG12 VAL 6 31.421 5.322 -3.278
46 HG13 VAL 6 HG13 VAL 6 31.946 7.006 -3.292
47 HG21 VAL 6 HG21 VAL 6 34.163 5.768 -3.192
48 HG22 VAL 6 HG22 VAL 6 33.597 4.194 -2.631
49 HG23 VAL 6 HG23 VAL 6 34.710 5.136 -1.640
50 H LYS 7 HN LYS 7 32.396 6.934 1.457
51 HA LYS 7 HA LYS 7 29.742 7.864 1.256
52 HB2 LYS 7 HB2 LYS 7 31.625 7.680 3.616
53 HB3 LYS 7 HB1 LYS 7 29.923 8.119 3.762
54 HG2 LYS 7 HG2 LYS 7 29.293 5.981 2.674
55 HG3 LYS 7 HG1 LYS 7 30.998 5.537 2.590
56 HD2 LYS 7 HD2 LYS 7 31.185 5.544 5.003
57 HD3 LYS 7 HD1 LYS 7 29.552 6.190 5.172
58 HE2 LYS 7 HE2 LYS 7 29.835 3.654 5.510
59 HE3 LYS 7 HE1 LYS 7 28.557 4.173 4.410
60 HZ1 LYS 7 HZ1 LYS 7 31.291 3.447 3.522
61 HZ2 LYS 7 HZ2 LYS 7 29.929 3.724 2.546
62 HZ3 LYS 7 HZ3 LYS 7 29.995 2.354 3.548
63 H LYS 8 HN LYS 8 32.652 9.508 2.509
64 HA LYS 8 HA LYS 8 31.539 11.975 3.095
65 HB2 LYS 8 HB2 LYS 8 33.872 11.315 3.622
66 HB3 LYS 8 HB1 LYS 8 34.281 11.479 1.915
67 HG2 LYS 8 HG2 LYS 8 33.834 13.832 1.934
68 HG3 LYS 8 HG1 LYS 8 33.064 13.742 3.518
69 HD2 LYS 8 HD2 LYS 8 35.302 14.647 3.795
70 HD3 LYS 8 HD1 LYS 8 35.255 13.031 4.496
71 HE2 LYS 8 HE2 LYS 8 36.435 12.083 2.664
72 HE3 LYS 8 HE1 LYS 8 36.157 13.495 1.644
73 HZ1 LYS 8 HZ1 LYS 8 37.480 14.768 3.342
74 HZ2 LYS 8 HZ2 LYS 8 38.357 13.657 2.401
75 HZ3 LYS 8 HZ3 LYS 8 37.933 13.272 4.001
76 H VAL 9 HN VAL 9 32.800 10.803 -0.013
77 HA VAL 9 HA VAL 9 32.630 13.116 -1.522
78 HB VAL 9 HB VAL 9 31.806 10.384 -2.542
79 HG11 VAL 9 HG11 VAL 9 31.442 12.224 -4.110
80 HG12 VAL 9 HG12 VAL 9 32.819 11.262 -4.644
81 HG13 VAL 9 HG13 VAL 9 33.084 12.810 -3.841
82 HG21 VAL 9 HG21 VAL 9 34.244 10.113 -3.061
83 HG22 VAL 9 HG22 VAL 9 33.912 10.151 -1.329
84 HG23 VAL 9 HG23 VAL 9 34.568 11.577 -2.133
85 H VAL 10 HN VAL 10 30.127 10.582 -1.701
86 HA VAL 10 HA VAL 10 28.157 12.260 -2.803
87 HB VAL 10 HB VAL 10 26.536 10.494 -2.109
88 HG11 VAL 10 HG11 VAL 10 27.792 10.212 -4.186
89 HG12 VAL 10 HG12 VAL 10 27.623 8.649 -3.388
90 HG13 VAL 10 HG13 VAL 10 29.153 9.523 -3.300
91 HG21 VAL 10 HG21 VAL 10 27.492 9.893 0.048
92 HG22 VAL 10 HG22 VAL 10 28.991 9.373 -0.721
93 HG23 VAL 10 HG23 VAL 10 27.502 8.465 -0.987
94 H GLY 11 HN GLY 11 29.378 12.076 0.365
95 HA2 GLY 11 HA1 GLY 11 27.071 12.775 1.852
96 HA3 GLY 11 HA2 GLY 11 28.738 13.001 2.364
97 H ALA 12 HN ALA 12 29.443 14.656 0.075
98 HA ALA 12 HA ALA 12 29.000 17.193 1.108
99 HB1 ALA 12 HB1 ALA 12 29.421 16.527 -1.808
100 HB2 ALA 12 HB2 ALA 12 30.709 16.581 -0.604
101 HB3 ALA 12 HB3 ALA 12 29.808 18.045 -0.997
102 H PHE 13 HN PHE 13 27.427 15.845 -1.805
103 HA PHE 13 HA PHE 13 25.413 17.894 -1.831
104 HB2 PHE 13 HB2 PHE 13 25.401 15.257 -3.313
105 HB3 PHE 13 HB1 PHE 13 24.508 16.722 -3.726
106 HD1 PHE 13 HD1 PHE 13 25.669 18.718 -4.614
107 HD2 PHE 13 HD2 PHE 13 27.794 15.060 -3.756
108 HE1 PHE 13 HE1 PHE 13 27.616 19.539 -5.935
109 HE2 PHE 13 HE2 PHE 13 29.741 15.881 -5.077
110 HZ PHE 13 HZ PHE 13 29.662 18.132 -6.145
111 H GLY 14 HN GLY 14 25.760 15.877 0.496
112 HA2 GLY 14 HA1 GLY 14 23.429 14.283 0.606
113 HA3 GLY 14 HA2 GLY 14 24.412 14.769 1.981
114 H SER 15 HN SER 15 23.608 17.549 0.452
115 HA SER 15 HA SER 15 20.897 17.907 1.316
116 HB2 SER 15 HB2 SER 15 21.278 19.427 3.148
117 HB3 SER 15 HB1 SER 15 22.138 17.931 3.498
118 HG SER 15 HG SER 15 23.287 20.220 2.266
119 H LEU 16 HN LEU 16 23.376 18.574 -0.630
120 HA LEU 16 HA LEU 16 23.895 20.225 -2.135
121 HB2 LEU 16 HB2 LEU 16 21.707 19.744 -3.010
122 HB3 LEU 16 HB1 LEU 16 20.929 20.685 -1.742
123 HG LEU 16 HG LEU 16 21.781 22.756 -2.648
124 HD11 LEU 16 HD11 LEU 16 23.442 20.938 -4.409
125 HD12 LEU 16 HD12 LEU 16 23.993 22.237 -3.349
126 HD13 LEU 16 HD13 LEU 16 23.142 22.622 -4.842
127 HD21 LEU 16 HD21 LEU 16 19.777 21.835 -3.742
128 HD22 LEU 16 HD22 LEU 16 20.794 20.952 -4.880
129 HD23 LEU 16 HD23 LEU 16 20.767 22.715 -4.907
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 39.144 -0.319 2.355
2 H2 GLY 1 HT2 GLY 1 37.675 -0.776 1.631
3 H3 GLY 1 HT3 GLY 1 38.078 -1.346 3.181
4 HA2 GLY 1 HA1 GLY 1 36.540 0.308 3.535
5 HA3 GLY 1 HA2 GLY 1 38.110 0.998 3.919
6 H LEU 2 HN LEU 2 38.053 0.594 0.656
7 HA LEU 2 HA LEU 2 38.109 3.287 0.014
8 HB2 LEU 2 HB2 LEU 2 38.006 2.644 -2.272
9 HB3 LEU 2 HB1 LEU 2 38.845 1.344 -1.437
10 HG LEU 2 HG LEU 2 35.934 1.351 -2.311
11 HD11 LEU 2 HD11 LEU 2 37.666 0.965 -4.066
12 HD12 LEU 2 HD12 LEU 2 36.636 -0.440 -3.795
13 HD13 LEU 2 HD13 LEU 2 38.268 -0.400 -3.126
14 HD21 LEU 2 HD21 LEU 2 36.096 -1.096 -1.501
15 HD22 LEU 2 HD22 LEU 2 35.965 0.136 -0.251
16 HD23 LEU 2 HD23 LEU 2 37.532 -0.587 -0.612
17 H PHE 3 HN PHE 3 35.446 1.548 1.059
18 HA PHE 3 HA PHE 3 33.445 3.065 -0.440
19 HB2 PHE 3 HB2 PHE 3 33.158 0.634 0.230
20 HB3 PHE 3 HB1 PHE 3 33.010 1.189 1.897
21 HD1 PHE 3 HD1 PHE 3 31.481 1.310 -1.487
22 HD2 PHE 3 HD2 PHE 3 31.018 2.338 2.680
23 HE1 PHE 3 HE1 PHE 3 29.081 1.845 -1.885
24 HE2 PHE 3 HE2 PHE 3 28.617 2.873 2.281
25 HZ PHE 3 HZ PHE 3 27.630 2.542 0.016
26 H ASP 4 HN ASP 4 34.916 2.965 2.750
27 HA ASP 4 HA ASP 4 33.119 4.712 4.068
28 HB2 ASP 4 HB2 ASP 4 36.062 4.207 4.576
29 HB3 ASP 4 HB1 ASP 4 34.968 5.038 5.682
30 H ILE 5 HN ILE 5 35.892 5.236 1.989
31 HA ILE 5 HA ILE 5 36.108 8.057 2.517
32 HB ILE 5 HB ILE 5 37.152 6.607 0.066
33 HG12 ILE 5 HG12 ILE 5 38.373 6.815 2.840
34 HG13 ILE 5 HG11 ILE 5 37.827 5.335 2.052
35 HG21 ILE 5 HG21 ILE 5 38.352 8.925 1.605
36 HG22 ILE 5 HG22 ILE 5 37.210 9.165 0.282
37 HG23 ILE 5 HG23 ILE 5 38.755 8.374 -0.022
38 HD11 ILE 5 HD1 ILE 5 40.188 7.076 1.332
39 HD12 ILE 5 HD2 ILE 5 39.498 5.942 0.169
40 HD13 ILE 5 HD3 ILE 5 40.168 5.351 1.691
41 H VAL 6 HN VAL 6 35.006 6.173 -0.317
42 HA VAL 6 HA VAL 6 34.041 8.300 -1.833
43 HB VAL 6 HB VAL 6 32.973 5.463 -1.686
44 HG11 VAL 6 HG11 VAL 6 32.495 7.721 -3.647
45 HG12 VAL 6 HG12 VAL 6 31.290 6.798 -2.749
46 HG13 VAL 6 HG13 VAL 6 32.194 6.031 -4.054
47 HG21 VAL 6 HG21 VAL 6 35.421 5.837 -2.304
48 HG22 VAL 6 HG22 VAL 6 34.842 6.719 -3.717
49 HG23 VAL 6 HG23 VAL 6 34.454 5.009 -3.523
50 H LYS 7 HN LYS 7 32.843 6.990 1.089
51 HA LYS 7 HA LYS 7 30.088 7.677 0.796
52 HB2 LYS 7 HB2 LYS 7 31.024 6.061 2.489
53 HB3 LYS 7 HB1 LYS 7 31.658 7.450 3.371
54 HG2 LYS 7 HG2 LYS 7 29.388 8.372 3.585
55 HG3 LYS 7 HG1 LYS 7 28.741 7.007 2.676
56 HD2 LYS 7 HD2 LYS 7 29.733 5.485 4.439
57 HD3 LYS 7 HD1 LYS 7 30.094 6.930 5.384
58 HE2 LYS 7 HE2 LYS 7 27.721 7.533 5.424
59 HE3 LYS 7 HE1 LYS 7 27.331 6.145 4.408
60 HZ1 LYS 7 HZ1 LYS 7 28.575 4.870 6.301
61 HZ2 LYS 7 HZ2 LYS 7 26.936 5.289 6.469
62 HZ3 LYS 7 HZ3 LYS 7 28.137 6.223 7.225
63 H LYS 8 HN LYS 8 32.948 9.365 1.966
64 HA LYS 8 HA LYS 8 31.577 11.612 3.061
65 HB2 LYS 8 HB2 LYS 8 33.877 11.072 3.705
66 HB3 LYS 8 HB1 LYS 8 34.419 11.347 2.048
67 HG2 LYS 8 HG2 LYS 8 33.920 13.680 2.164
68 HG3 LYS 8 HG1 LYS 8 32.999 13.485 3.655
69 HD2 LYS 8 HD2 LYS 8 35.210 14.432 4.146
70 HD3 LYS 8 HD1 LYS 8 35.073 12.816 4.837
71 HE2 LYS 8 HE2 LYS 8 36.442 11.857 3.152
72 HE3 LYS 8 HE1 LYS 8 36.273 13.261 2.096
73 HZ1 LYS 8 HZ1 LYS 8 37.305 14.211 4.470
74 HZ2 LYS 8 HZ2 LYS 8 38.127 14.032 2.993
75 HZ3 LYS 8 HZ3 LYS 8 38.168 12.787 4.149
76 H VAL 9 HN VAL 9 32.788 10.793 -0.135
77 HA VAL 9 HA VAL 9 32.639 13.358 -1.304
78 HB VAL 9 HB VAL 9 32.178 10.702 -2.694
79 HG11 VAL 9 HG11 VAL 9 31.594 12.591 -4.093
80 HG12 VAL 9 HG12 VAL 9 33.160 11.981 -4.629
81 HG13 VAL 9 HG13 VAL 9 33.072 13.440 -3.640
82 HG21 VAL 9 HG21 VAL 9 34.275 10.679 -1.393
83 HG22 VAL 9 HG22 VAL 9 34.754 12.209 -2.129
84 HG23 VAL 9 HG23 VAL 9 34.617 10.757 -3.121
85 H VAL 10 HN VAL 10 30.329 10.640 -1.541
86 HA VAL 10 HA VAL 10 28.290 12.187 -2.772
87 HB VAL 10 HB VAL 10 26.797 10.289 -2.231
88 HG11 VAL 10 HG11 VAL 10 28.252 10.107 -4.191
89 HG12 VAL 10 HG12 VAL 10 28.110 8.533 -3.411
90 HG13 VAL 10 HG13 VAL 10 29.566 9.501 -3.185
91 HG21 VAL 10 HG21 VAL 10 27.560 9.720 -0.012
92 HG22 VAL 10 HG22 VAL 10 29.191 9.396 -0.598
93 HG23 VAL 10 HG23 VAL 10 27.865 8.321 -1.042
94 H GLY 11 HN GLY 11 29.380 11.951 0.458
95 HA2 GLY 11 HA1 GLY 11 26.927 12.551 1.787
96 HA3 GLY 11 HA2 GLY 11 28.542 12.682 2.469
97 H ALA 12 HN ALA 12 29.193 14.431 0.021
98 HA ALA 12 HA ALA 12 28.836 16.931 1.313
99 HB1 ALA 12 HB1 ALA 12 29.496 16.412 -1.588
100 HB2 ALA 12 HB2 ALA 12 30.674 16.405 -0.276
101 HB3 ALA 12 HB3 ALA 12 29.812 17.890 -0.681
102 H PHE 13 HN PHE 13 27.301 15.515 -1.576
103 HA PHE 13 HA PHE 13 25.478 17.699 -1.922
104 HB2 PHE 13 HB2 PHE 13 25.502 14.889 -3.045
105 HB3 PHE 13 HB1 PHE 13 24.357 16.140 -3.530
106 HD1 PHE 13 HD1 PHE 13 27.888 15.055 -3.615
107 HD2 PHE 13 HD2 PHE 13 25.074 18.096 -4.823
108 HE1 PHE 13 HE1 PHE 13 29.569 15.979 -5.205
109 HE2 PHE 13 HE2 PHE 13 26.755 19.021 -6.413
110 HZ PHE 13 HZ PHE 13 29.013 17.979 -6.584
111 H GLY 14 HN GLY 14 25.555 14.936 0.103
112 HA2 GLY 14 HA1 GLY 14 22.782 14.470 0.410
113 HA3 GLY 14 HA2 GLY 14 24.039 14.004 1.549
114 H SER 15 HN SER 15 24.380 17.242 1.029
115 HA SER 15 HA SER 15 22.286 18.325 2.629
116 HB2 SER 15 HB2 SER 15 23.502 18.773 4.673
117 HB3 SER 15 HB1 SER 15 23.536 17.038 4.369
118 HG SER 15 HG SER 15 25.582 18.566 4.771
119 H LEU 16 HN LEU 16 22.368 19.779 0.845
120 HA LEU 16 HA LEU 16 23.982 22.083 1.324
121 HB2 LEU 16 HB2 LEU 16 25.736 20.854 0.240
122 HB3 LEU 16 HB1 LEU 16 24.657 20.324 -1.045
123 HG LEU 16 HG LEU 16 24.505 22.558 -1.948
124 HD11 LEU 16 HD11 LEU 16 25.921 23.354 0.608
125 HD12 LEU 16 HD12 LEU 16 24.393 23.962 -0.031
126 HD13 LEU 16 HD13 LEU 16 25.909 24.403 -0.812
127 HD21 LEU 16 HD21 LEU 16 26.548 21.232 -2.488
128 HD22 LEU 16 HD22 LEU 16 27.385 22.026 -1.155
129 HD23 LEU 16 HD23 LEU 16 26.841 22.970 -2.541
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 39.645 2.613 2.985
2 H2 GLY 1 HT2 GLY 1 39.943 1.066 3.621
3 H3 GLY 1 HT3 GLY 1 38.750 2.059 4.313
4 HA2 GLY 1 HA1 GLY 1 38.659 0.383 1.994
5 HA3 GLY 1 HA2 GLY 1 37.379 0.862 3.102
6 H LEU 2 HN LEU 2 38.299 1.064 -0.003
7 HA LEU 2 HA LEU 2 38.039 3.729 -0.755
8 HB2 LEU 2 HB2 LEU 2 37.630 2.958 -2.963
9 HB3 LEU 2 HB1 LEU 2 38.693 1.766 -2.226
10 HG LEU 2 HG LEU 2 35.689 1.522 -2.619
11 HD11 LEU 2 HD11 LEU 2 37.061 1.148 -4.629
12 HD12 LEU 2 HD12 LEU 2 36.339 -0.361 -4.069
13 HD13 LEU 2 HD13 LEU 2 38.040 -0.024 -3.747
14 HD21 LEU 2 HD21 LEU 2 36.147 0.433 -0.536
15 HD22 LEU 2 HD22 LEU 2 37.678 -0.213 -1.125
16 HD23 LEU 2 HD23 LEU 2 36.155 -0.854 -1.737
17 H PHE 3 HN PHE 3 35.772 1.887 0.845
18 HA PHE 3 HA PHE 3 33.408 3.135 -0.357
19 HB2 PHE 3 HB2 PHE 3 33.243 0.797 0.329
20 HB3 PHE 3 HB1 PHE 3 33.720 1.221 1.974
21 HD1 PHE 3 HD1 PHE 3 31.102 1.821 -0.637
22 HD2 PHE 3 HD2 PHE 3 32.103 1.993 3.559
23 HE1 PHE 3 HE1 PHE 3 28.726 2.333 -0.090
24 HE2 PHE 3 HE2 PHE 3 29.726 2.504 4.105
25 HZ PHE 3 HZ PHE 3 28.060 2.771 2.270
26 H ASP 4 HN ASP 4 35.299 3.208 2.630
27 HA ASP 4 HA ASP 4 33.645 4.924 4.119
28 HB2 ASP 4 HB2 ASP 4 36.666 4.850 4.230
29 HB3 ASP 4 HB1 ASP 4 35.553 5.299 5.524
30 H ILE 5 HN ILE 5 36.059 5.553 1.644
31 HA ILE 5 HA ILE 5 36.142 8.394 2.045
32 HB ILE 5 HB ILE 5 36.877 6.932 -0.506
33 HG12 ILE 5 HG12 ILE 5 38.528 7.323 2.014
34 HG13 ILE 5 HG11 ILE 5 37.937 5.782 1.394
35 HG21 ILE 5 HG21 ILE 5 38.321 8.790 -0.896
36 HG22 ILE 5 HG22 ILE 5 38.148 9.371 0.761
37 HG23 ILE 5 HG23 ILE 5 36.796 9.494 -0.363
38 HD11 ILE 5 HD1 ILE 5 39.223 6.375 -0.774
39 HD12 ILE 5 HD2 ILE 5 40.176 5.894 0.628
40 HD13 ILE 5 HD3 ILE 5 40.036 7.598 0.203
41 H VAL 6 HN VAL 6 34.739 6.357 -0.535
42 HA VAL 6 HA VAL 6 33.401 8.352 -1.931
43 HB VAL 6 HB VAL 6 32.580 5.460 -1.507
44 HG11 VAL 6 HG11 VAL 6 30.623 6.610 -2.273
45 HG12 VAL 6 HG12 VAL 6 31.333 5.868 -3.705
46 HG13 VAL 6 HG13 VAL 6 31.558 7.592 -3.402
47 HG21 VAL 6 HG21 VAL 6 34.832 5.995 -2.589
48 HG22 VAL 6 HG22 VAL 6 33.926 6.759 -3.893
49 HG23 VAL 6 HG23 VAL 6 33.728 5.036 -3.573
50 H LYS 7 HN LYS 7 32.552 6.732 1.055
51 HA LYS 7 HA LYS 7 29.838 7.389 1.231
52 HB2 LYS 7 HB2 LYS 7 31.008 5.863 2.792
53 HB3 LYS 7 HB1 LYS 7 31.851 7.248 3.488
54 HG2 LYS 7 HG2 LYS 7 29.771 8.222 4.241
55 HG3 LYS 7 HG1 LYS 7 28.833 7.005 3.376
56 HD2 LYS 7 HD2 LYS 7 29.809 5.241 4.805
57 HD3 LYS 7 HD1 LYS 7 30.728 6.465 5.681
58 HE2 LYS 7 HE2 LYS 7 28.632 5.835 6.868
59 HE3 LYS 7 HE1 LYS 7 28.660 7.540 6.417
60 HZ1 LYS 7 HZ1 LYS 7 27.021 7.268 4.924
61 HZ2 LYS 7 HZ2 LYS 7 26.634 5.913 5.873
62 HZ3 LYS 7 HZ3 LYS 7 27.541 5.724 4.448
63 H LYS 8 HN LYS 8 32.713 9.237 2.193
64 HA LYS 8 HA LYS 8 31.251 11.452 3.253
65 HB2 LYS 8 HB2 LYS 8 34.113 11.237 2.286
66 HB3 LYS 8 HB1 LYS 8 33.447 12.619 3.156
67 HG2 LYS 8 HG2 LYS 8 32.878 11.142 5.058
68 HG3 LYS 8 HG1 LYS 8 33.568 9.769 4.191
69 HD2 LYS 8 HD2 LYS 8 35.766 10.823 4.180
70 HD3 LYS 8 HD1 LYS 8 35.104 12.278 4.925
71 HE2 LYS 8 HE2 LYS 8 34.950 9.548 6.224
72 HE3 LYS 8 HE1 LYS 8 36.265 10.683 6.526
73 HZ1 LYS 8 HZ1 LYS 8 34.984 11.861 7.879
74 HZ2 LYS 8 HZ2 LYS 8 33.827 10.620 7.788
75 HZ3 LYS 8 HZ3 LYS 8 33.730 11.954 6.741
76 H VAL 9 HN VAL 9 32.611 10.658 0.099
77 HA VAL 9 HA VAL 9 32.430 13.144 -1.152
78 HB VAL 9 HB VAL 9 31.939 10.415 -2.386
79 HG11 VAL 9 HG11 VAL 9 31.172 12.103 -3.911
80 HG12 VAL 9 HG12 VAL 9 32.782 11.638 -4.459
81 HG13 VAL 9 HG13 VAL 9 32.555 13.139 -3.561
82 HG21 VAL 9 HG21 VAL 9 34.484 12.062 -2.283
83 HG22 VAL 9 HG22 VAL 9 34.305 10.412 -2.879
84 HG23 VAL 9 HG23 VAL 9 34.129 10.752 -1.157
85 H VAL 10 HN VAL 10 30.056 10.497 -1.525
86 HA VAL 10 HA VAL 10 28.060 11.993 -2.750
87 HB VAL 10 HB VAL 10 26.466 10.269 -1.916
88 HG11 VAL 10 HG11 VAL 10 29.124 9.128 -2.834
89 HG12 VAL 10 HG12 VAL 10 27.922 9.859 -3.898
90 HG13 VAL 10 HG13 VAL 10 27.541 8.375 -3.027
91 HG21 VAL 10 HG21 VAL 10 27.490 8.390 -0.563
92 HG22 VAL 10 HG22 VAL 10 27.314 9.908 0.317
93 HG23 VAL 10 HG23 VAL 10 28.894 9.427 -0.304
94 H GLY 11 HN GLY 11 28.791 11.603 0.679
95 HA2 GLY 11 HA1 GLY 11 26.464 12.758 1.738
96 HA3 GLY 11 HA2 GLY 11 28.028 12.703 2.539
97 H ALA 12 HN ALA 12 29.517 14.231 0.706
98 HA ALA 12 HA ALA 12 28.762 16.878 1.546
99 HB1 ALA 12 HB1 ALA 12 30.779 17.557 0.256
100 HB2 ALA 12 HB2 ALA 12 30.960 15.883 -0.270
101 HB3 ALA 12 HB3 ALA 12 31.099 16.291 1.441
102 H PHE 13 HN PHE 13 26.892 15.471 -0.251
103 HA PHE 13 HA PHE 13 26.362 17.659 -2.041
104 HB2 PHE 13 HB2 PHE 13 28.110 16.343 -3.286
105 HB3 PHE 13 HB1 PHE 13 26.989 14.982 -3.306
106 HD1 PHE 13 HD1 PHE 13 25.223 14.870 -4.919
107 HD2 PHE 13 HD2 PHE 13 27.362 18.570 -4.306
108 HE1 PHE 13 HE1 PHE 13 24.080 15.860 -6.899
109 HE2 PHE 13 HE2 PHE 13 26.217 19.559 -6.285
110 HZ PHE 13 HZ PHE 13 24.631 18.180 -7.622
111 H GLY 14 HN GLY 14 25.438 15.178 -0.119
112 HA2 GLY 14 HA1 GLY 14 23.115 14.211 -1.459
113 HA3 GLY 14 HA2 GLY 14 23.481 14.033 0.252
114 H SER 15 HN SER 15 22.423 16.459 -2.122
115 HA SER 15 HA SER 15 20.951 18.214 -1.956
116 HB2 SER 15 HB2 SER 15 18.899 17.770 -0.860
117 HB3 SER 15 HB1 SER 15 19.490 16.190 -1.365
118 HG SER 15 HG SER 15 18.856 16.936 1.051
119 H LEU 16 HN LEU 16 23.272 18.805 -0.744
120 HA LEU 16 HA LEU 16 23.254 19.436 1.972
121 HB2 LEU 16 HB2 LEU 16 25.311 19.557 0.741
122 HB3 LEU 16 HB1 LEU 16 24.648 20.749 -0.372
123 HG LEU 16 HG LEU 16 24.598 22.443 1.346
124 HD11 LEU 16 HD11 LEU 16 25.519 21.814 3.674
125 HD12 LEU 16 HD12 LEU 16 25.223 20.139 3.206
126 HD13 LEU 16 HD13 LEU 16 23.882 21.281 3.295
127 HD21 LEU 16 HD21 LEU 16 26.788 22.015 0.271
128 HD22 LEU 16 HD22 LEU 16 27.185 20.871 1.553
129 HD23 LEU 16 HD23 LEU 16 26.985 22.581 1.930
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 41.265 0.347 2.486
2 H2 GLY 1 HT2 GLY 1 41.057 0.385 0.800
3 H3 GLY 1 HT3 GLY 1 39.923 -0.413 1.782
4 HA2 GLY 1 HA1 GLY 1 38.936 1.449 2.452
5 HA3 GLY 1 HA2 GLY 1 40.423 2.379 2.315
6 H LEU 2 HN LEU 2 37.442 1.857 0.994
7 HA LEU 2 HA LEU 2 37.942 3.593 -1.220
8 HB2 LEU 2 HB2 LEU 2 37.085 1.834 -2.930
9 HB3 LEU 2 HB1 LEU 2 38.774 1.760 -2.440
10 HG LEU 2 HG LEU 2 38.187 0.018 -0.753
11 HD11 LEU 2 HD11 LEU 2 35.430 0.469 -1.912
12 HD12 LEU 2 HD12 LEU 2 35.910 0.324 -0.221
13 HD13 LEU 2 HD13 LEU 2 35.867 -1.105 -1.246
14 HD21 LEU 2 HD21 LEU 2 37.848 -1.782 -2.398
15 HD22 LEU 2 HD22 LEU 2 38.981 -0.582 -3.020
16 HD23 LEU 2 HD23 LEU 2 37.313 -0.601 -3.593
17 H PHE 3 HN PHE 3 36.080 2.316 1.106
18 HA PHE 3 HA PHE 3 33.500 3.018 -0.202
19 HB2 PHE 3 HB2 PHE 3 33.585 0.705 0.597
20 HB3 PHE 3 HB1 PHE 3 34.061 1.258 2.203
21 HD1 PHE 3 HD1 PHE 3 31.344 1.558 -0.368
22 HD2 PHE 3 HD2 PHE 3 32.407 1.875 3.804
23 HE1 PHE 3 HE1 PHE 3 28.943 1.870 0.221
24 HE2 PHE 3 HE2 PHE 3 30.005 2.186 4.391
25 HZ PHE 3 HZ PHE 3 28.279 2.227 2.595
26 H ASP 4 HN ASP 4 35.307 3.237 2.867
27 HA ASP 4 HA ASP 4 33.577 4.979 4.206
28 HB2 ASP 4 HB2 ASP 4 35.492 5.541 5.614
29 HB3 ASP 4 HB1 ASP 4 35.484 3.811 5.276
30 H ILE 5 HN ILE 5 36.067 5.594 1.806
31 HA ILE 5 HA ILE 5 36.072 8.444 2.114
32 HB ILE 5 HB ILE 5 36.907 6.913 -0.367
33 HG12 ILE 5 HG12 ILE 5 38.465 7.431 2.191
34 HG13 ILE 5 HG11 ILE 5 37.953 5.856 1.586
35 HG21 ILE 5 HG21 ILE 5 36.759 9.477 -0.324
36 HG22 ILE 5 HG22 ILE 5 38.315 8.795 -0.787
37 HG23 ILE 5 HG23 ILE 5 38.083 9.432 0.841
38 HD11 ILE 5 HD1 ILE 5 40.029 7.721 0.429
39 HD12 ILE 5 HD2 ILE 5 39.294 6.450 -0.550
40 HD13 ILE 5 HD3 ILE 5 40.213 6.032 0.895
41 H VAL 6 HN VAL 6 34.765 6.291 -0.419
42 HA VAL 6 HA VAL 6 33.465 8.175 -1.966
43 HB VAL 6 HB VAL 6 32.482 5.376 -1.329
44 HG11 VAL 6 HG11 VAL 6 30.712 6.604 -2.388
45 HG12 VAL 6 HG12 VAL 6 31.463 5.630 -3.650
46 HG13 VAL 6 HG13 VAL 6 31.827 7.350 -3.531
47 HG21 VAL 6 HG21 VAL 6 33.750 4.691 -3.279
48 HG22 VAL 6 HG22 VAL 6 34.841 5.568 -2.208
49 HG23 VAL 6 HG23 VAL 6 34.184 6.362 -3.639
50 H LYS 7 HN LYS 7 32.362 6.615 1.010
51 HA LYS 7 HA LYS 7 29.708 7.435 1.048
52 HB2 LYS 7 HB2 LYS 7 30.733 5.901 2.706
53 HB3 LYS 7 HB1 LYS 7 31.585 7.272 3.416
54 HG2 LYS 7 HG2 LYS 7 29.541 8.317 4.095
55 HG3 LYS 7 HG1 LYS 7 28.573 7.214 3.119
56 HD2 LYS 7 HD2 LYS 7 28.515 6.619 5.531
57 HD3 LYS 7 HD1 LYS 7 29.208 5.332 4.544
58 HE2 LYS 7 HE2 LYS 7 30.453 5.970 6.727
59 HE3 LYS 7 HE1 LYS 7 31.414 5.811 5.260
60 HZ1 LYS 7 HZ1 LYS 7 30.263 8.424 5.952
61 HZ2 LYS 7 HZ2 LYS 7 31.667 8.067 5.067
62 HZ3 LYS 7 HZ3 LYS 7 31.659 7.898 6.757
63 H LYS 8 HN LYS 8 32.624 9.221 1.939
64 HA LYS 8 HA LYS 8 31.237 11.492 2.991
65 HB2 LYS 8 HB2 LYS 8 33.589 10.916 3.572
66 HB3 LYS 8 HB1 LYS 8 34.065 11.329 1.924
67 HG2 LYS 8 HG2 LYS 8 33.342 13.620 2.221
68 HG3 LYS 8 HG1 LYS 8 32.642 13.243 3.795
69 HD2 LYS 8 HD2 LYS 8 34.857 12.716 4.690
70 HD3 LYS 8 HD1 LYS 8 35.586 12.994 3.107
71 HE2 LYS 8 HE2 LYS 8 34.930 15.337 3.164
72 HE3 LYS 8 HE1 LYS 8 34.054 15.090 4.673
73 HZ1 LYS 8 HZ1 LYS 8 36.963 14.607 4.350
74 HZ2 LYS 8 HZ2 LYS 8 36.075 14.596 5.799
75 HZ3 LYS 8 HZ3 LYS 8 36.306 16.050 4.952
76 H VAL 9 HN VAL 9 32.628 10.669 -0.159
77 HA VAL 9 HA VAL 9 32.456 13.114 -1.448
78 HB VAL 9 HB VAL 9 31.774 10.439 -2.703
79 HG11 VAL 9 HG11 VAL 9 32.805 13.069 -3.805
80 HG12 VAL 9 HG12 VAL 9 31.253 12.310 -4.157
81 HG13 VAL 9 HG13 VAL 9 32.746 11.567 -4.729
82 HG21 VAL 9 HG21 VAL 9 34.474 11.795 -2.419
83 HG22 VAL 9 HG22 VAL 9 34.157 10.228 -3.162
84 HG23 VAL 9 HG23 VAL 9 33.935 10.441 -1.425
85 H VAL 10 HN VAL 10 29.979 10.542 -1.639
86 HA VAL 10 HA VAL 10 28.008 12.249 -2.771
87 HB VAL 10 HB VAL 10 26.411 10.410 -2.194
88 HG11 VAL 10 HG11 VAL 10 27.585 10.252 -4.294
89 HG12 VAL 10 HG12 VAL 10 27.615 8.650 -3.559
90 HG13 VAL 10 HG13 VAL 10 29.047 9.677 -3.495
91 HG21 VAL 10 HG21 VAL 10 27.430 9.701 -0.078
92 HG22 VAL 10 HG22 VAL 10 28.895 9.208 -0.927
93 HG23 VAL 10 HG23 VAL 10 27.384 8.341 -1.199
94 H GLY 11 HN GLY 11 29.053 11.660 0.469
95 HA2 GLY 11 HA1 GLY 11 26.691 12.390 1.848
96 HA3 GLY 11 HA2 GLY 11 28.321 12.413 2.507
97 H ALA 12 HN ALA 12 29.467 14.258 0.697
98 HA ALA 12 HA ALA 12 28.690 16.706 1.929
99 HB1 ALA 12 HB1 ALA 12 30.339 17.729 0.434
100 HB2 ALA 12 HB2 ALA 12 30.437 16.229 -0.490
101 HB3 ALA 12 HB3 ALA 12 30.986 16.270 1.185
102 H PHE 13 HN PHE 13 28.049 15.234 -1.214
103 HA PHE 13 HA PHE 13 26.953 17.407 -2.566
104 HB2 PHE 13 HB2 PHE 13 27.406 15.115 -3.515
105 HB3 PHE 13 HB1 PHE 13 25.931 14.563 -2.722
106 HD1 PHE 13 HD1 PHE 13 23.710 15.476 -3.385
107 HD2 PHE 13 HD2 PHE 13 27.330 16.544 -5.480
108 HE1 PHE 13 HE1 PHE 13 22.353 16.357 -5.282
109 HE2 PHE 13 HE2 PHE 13 25.974 17.424 -7.376
110 HZ PHE 13 HZ PHE 13 23.488 17.268 -7.305
111 H GLY 14 HN GLY 14 25.660 15.512 0.048
112 HA2 GLY 14 HA1 GLY 14 22.923 16.277 -0.304
113 HA3 GLY 14 HA2 GLY 14 23.624 15.523 1.122
114 H SER 15 HN SER 15 24.741 18.532 -0.326
115 HA SER 15 HA SER 15 23.305 20.272 1.414
116 HB2 SER 15 HB2 SER 15 24.821 19.198 3.074
117 HB3 SER 15 HB1 SER 15 26.200 19.781 2.147
118 HG SER 15 HG SER 15 24.602 21.834 2.486
119 H LEU 16 HN LEU 16 25.261 19.606 -1.176
120 HA LEU 16 HA LEU 16 26.605 22.093 -1.526
121 HB2 LEU 16 HB2 LEU 16 27.411 20.152 -2.704
122 HB3 LEU 16 HB1 LEU 16 25.845 19.893 -3.463
123 HG LEU 16 HG LEU 16 26.081 21.894 -4.803
124 HD11 LEU 16 HD11 LEU 16 28.319 23.186 -4.605
125 HD12 LEU 16 HD12 LEU 16 28.477 22.414 -3.027
126 HD13 LEU 16 HD13 LEU 16 27.107 23.476 -3.358
127 HD21 LEU 16 HD21 LEU 16 28.119 21.331 -6.085
128 HD22 LEU 16 HD22 LEU 16 27.238 19.876 -5.621
129 HD23 LEU 16 HD23 LEU 16 28.691 20.345 -4.739
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 40.011 1.381 4.300
2 H2 GLY 1 HT2 GLY 1 40.099 2.788 3.351
3 H3 GLY 1 HT3 GLY 1 40.078 1.258 2.612
4 HA2 GLY 1 HA1 GLY 1 37.881 0.865 3.288
5 HA3 GLY 1 HA2 GLY 1 37.894 2.341 4.244
6 H LEU 2 HN LEU 2 38.519 1.275 0.899
7 HA LEU 2 HA LEU 2 38.171 3.712 -0.368
8 HB2 LEU 2 HB2 LEU 2 37.863 2.508 -2.394
9 HB3 LEU 2 HB1 LEU 2 38.951 1.539 -1.409
10 HG LEU 2 HG LEU 2 35.975 1.072 -1.815
11 HD11 LEU 2 HD11 LEU 2 38.362 -0.659 -2.503
12 HD12 LEU 2 HD12 LEU 2 37.566 0.416 -3.652
13 HD13 LEU 2 HD13 LEU 2 36.679 -0.937 -2.949
14 HD21 LEU 2 HD21 LEU 2 36.528 -1.065 -0.476
15 HD22 LEU 2 HD22 LEU 2 36.406 0.427 0.448
16 HD23 LEU 2 HD23 LEU 2 37.992 -0.228 0.040
17 H PHE 3 HN PHE 3 35.886 2.075 1.452
18 HA PHE 3 HA PHE 3 33.550 3.053 -0.036
19 HB2 PHE 3 HB2 PHE 3 33.869 1.411 2.489
20 HB3 PHE 3 HB1 PHE 3 32.306 1.969 1.894
21 HD1 PHE 3 HD1 PHE 3 31.862 1.508 -0.697
22 HD2 PHE 3 HD2 PHE 3 34.633 -0.711 1.762
23 HE1 PHE 3 HE1 PHE 3 31.751 -0.402 -2.293
24 HE2 PHE 3 HE2 PHE 3 34.521 -2.619 0.164
25 HZ PHE 3 HZ PHE 3 32.992 -2.505 -1.800
26 H ASP 4 HN ASP 4 35.217 3.539 3.053
27 HA ASP 4 HA ASP 4 33.484 5.391 4.217
28 HB2 ASP 4 HB2 ASP 4 35.486 4.315 5.305
29 HB3 ASP 4 HB1 ASP 4 36.501 5.453 4.419
30 H ILE 5 HN ILE 5 36.082 5.852 1.864
31 HA ILE 5 HA ILE 5 35.975 8.701 1.862
32 HB ILE 5 HB ILE 5 36.898 6.971 -0.451
33 HG12 ILE 5 HG12 ILE 5 38.411 7.755 2.065
34 HG13 ILE 5 HG11 ILE 5 37.913 6.122 1.628
35 HG21 ILE 5 HG21 ILE 5 38.000 9.609 0.551
36 HG22 ILE 5 HG22 ILE 5 36.698 9.523 -0.635
37 HG23 ILE 5 HG23 ILE 5 38.276 8.836 -1.010
38 HD11 ILE 5 HD1 ILE 5 39.988 7.866 0.293
39 HD12 ILE 5 HD2 ILE 5 39.270 6.491 -0.548
40 HD13 ILE 5 HD3 ILE 5 40.178 6.239 0.942
41 H VAL 6 HN VAL 6 34.819 6.305 -0.524
42 HA VAL 6 HA VAL 6 33.455 8.056 -2.197
43 HB VAL 6 HB VAL 6 32.773 5.177 -1.523
44 HG11 VAL 6 HG11 VAL 6 31.801 7.038 -3.706
45 HG12 VAL 6 HG12 VAL 6 30.829 6.130 -2.549
46 HG13 VAL 6 HG13 VAL 6 31.686 5.283 -3.837
47 HG21 VAL 6 HG21 VAL 6 35.069 5.705 -2.474
48 HG22 VAL 6 HG22 VAL 6 34.252 6.327 -3.907
49 HG23 VAL 6 HG23 VAL 6 34.088 4.626 -3.467
50 H LYS 7 HN LYS 7 32.525 6.739 0.910
51 HA LYS 7 HA LYS 7 29.751 7.391 0.733
52 HB2 LYS 7 HB2 LYS 7 30.761 5.753 2.360
53 HB3 LYS 7 HB1 LYS 7 31.408 7.131 3.250
54 HG2 LYS 7 HG2 LYS 7 29.127 8.027 3.536
55 HG3 LYS 7 HG1 LYS 7 28.474 6.652 2.643
56 HD2 LYS 7 HD2 LYS 7 29.462 5.124 4.354
57 HD3 LYS 7 HD1 LYS 7 29.976 6.539 5.275
58 HE2 LYS 7 HE2 LYS 7 27.100 6.022 4.478
59 HE3 LYS 7 HE1 LYS 7 27.779 5.545 6.034
60 HZ1 LYS 7 HZ1 LYS 7 26.667 7.937 5.514
61 HZ2 LYS 7 HZ2 LYS 7 28.317 8.278 5.294
62 HZ3 LYS 7 HZ3 LYS 7 27.768 7.639 6.770
63 H LYS 8 HN LYS 8 32.632 9.109 1.789
64 HA LYS 8 HA LYS 8 31.267 11.308 2.996
65 HB2 LYS 8 HB2 LYS 8 33.630 10.747 3.484
66 HB3 LYS 8 HB1 LYS 8 34.062 11.197 1.834
67 HG2 LYS 8 HG2 LYS 8 33.393 13.481 2.197
68 HG3 LYS 8 HG1 LYS 8 32.675 13.080 3.758
69 HD2 LYS 8 HD2 LYS 8 34.928 12.415 4.588
70 HD3 LYS 8 HD1 LYS 8 35.620 12.930 3.049
71 HE2 LYS 8 HE2 LYS 8 34.070 14.708 4.956
72 HE3 LYS 8 HE1 LYS 8 35.823 14.705 4.759
73 HZ1 LYS 8 HZ1 LYS 8 35.105 16.412 3.384
74 HZ2 LYS 8 HZ2 LYS 8 33.750 15.548 2.833
75 HZ3 LYS 8 HZ3 LYS 8 35.307 15.116 2.308
76 H VAL 9 HN VAL 9 32.620 10.714 -0.227
77 HA VAL 9 HA VAL 9 32.297 13.236 -1.351
78 HB VAL 9 HB VAL 9 31.834 10.580 -2.746
79 HG11 VAL 9 HG11 VAL 9 31.078 12.408 -4.123
80 HG12 VAL 9 HG12 VAL 9 32.662 11.921 -4.729
81 HG13 VAL 9 HG13 VAL 9 32.505 13.366 -3.730
82 HG21 VAL 9 HG21 VAL 9 34.225 10.702 -3.304
83 HG22 VAL 9 HG22 VAL 9 34.012 10.698 -1.554
84 HG23 VAL 9 HG23 VAL 9 34.375 12.205 -2.393
85 H VAL 10 HN VAL 10 29.997 10.509 -1.541
86 HA VAL 10 HA VAL 10 27.900 12.044 -2.681
87 HB VAL 10 HB VAL 10 26.440 10.134 -2.051
88 HG11 VAL 10 HG11 VAL 10 29.151 9.401 -3.199
89 HG12 VAL 10 HG12 VAL 10 27.751 9.978 -4.106
90 HG13 VAL 10 HG13 VAL 10 27.706 8.397 -3.324
91 HG21 VAL 10 HG21 VAL 10 27.363 9.559 0.111
92 HG22 VAL 10 HG22 VAL 10 28.947 9.238 -0.596
93 HG23 VAL 10 HG23 VAL 10 27.591 8.168 -0.950
94 H GLY 11 HN GLY 11 29.022 11.614 0.567
95 HA2 GLY 11 HA1 GLY 11 26.611 12.338 1.906
96 HA3 GLY 11 HA2 GLY 11 28.224 12.320 2.604
97 H ALA 12 HN ALA 12 29.509 14.142 0.934
98 HA ALA 12 HA ALA 12 28.672 16.607 2.101
99 HB1 ALA 12 HB1 ALA 12 30.504 17.588 0.865
100 HB2 ALA 12 HB2 ALA 12 30.617 16.162 -0.166
101 HB3 ALA 12 HB3 ALA 12 31.027 16.048 1.546
102 H PHE 13 HN PHE 13 27.120 14.963 -0.160
103 HA PHE 13 HA PHE 13 25.708 15.462 -1.909
104 HB2 PHE 13 HB2 PHE 13 25.581 18.217 -0.674
105 HB3 PHE 13 HB1 PHE 13 24.328 17.375 -1.587
106 HD1 PHE 13 HD1 PHE 13 23.731 14.931 -0.611
107 HD2 PHE 13 HD2 PHE 13 25.371 18.201 1.683
108 HE1 PHE 13 HE1 PHE 13 22.853 13.905 1.483
109 HE2 PHE 13 HE2 PHE 13 24.492 17.174 3.774
110 HZ PHE 13 HZ PHE 13 23.186 15.055 3.667
111 H GLY 14 HN GLY 14 28.655 16.165 -2.119
112 HA2 GLY 14 HA1 GLY 14 30.072 17.178 -3.611
113 HA3 GLY 14 HA2 GLY 14 28.720 17.072 -4.731
114 H SER 15 HN SER 15 28.863 18.929 -1.736
115 HA SER 15 HA SER 15 28.799 21.178 -1.307
116 HB2 SER 15 HB2 SER 15 29.495 21.774 -4.180
117 HB3 SER 15 HB1 SER 15 29.916 22.676 -2.729
118 HG SER 15 HG SER 15 31.678 21.547 -2.744
119 H LEU 16 HN LEU 16 26.906 19.630 -3.619
120 HA LEU 16 HA LEU 16 25.248 21.843 -4.407
121 HB2 LEU 16 HB2 LEU 16 24.462 18.926 -4.434
122 HB3 LEU 16 HB1 LEU 16 23.866 20.222 -5.468
123 HG LEU 16 HG LEU 16 26.648 19.022 -5.470
124 HD11 LEU 16 HD11 LEU 16 24.497 19.159 -7.603
125 HD12 LEU 16 HD12 LEU 16 24.860 17.738 -6.624
126 HD13 LEU 16 HD13 LEU 16 26.062 18.361 -7.754
127 HD21 LEU 16 HD21 LEU 16 27.004 21.342 -5.887
128 HD22 LEU 16 HD22 LEU 16 25.525 21.482 -6.838
129 HD23 LEU 16 HD23 LEU 16 26.916 20.617 -7.491
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 41.199 0.221 1.052
2 H2 GLY 1 HT2 GLY 1 39.953 -0.921 0.879
3 H3 GLY 1 HT3 GLY 1 40.662 -0.655 2.400
4 HA2 GLY 1 HA1 GLY 1 38.462 0.356 2.099
5 HA3 GLY 1 HA2 GLY 1 39.748 1.452 2.588
6 H LEU 2 HN LEU 2 37.147 1.355 0.764
7 HA LEU 2 HA LEU 2 37.977 3.545 -0.901
8 HB2 LEU 2 HB2 LEU 2 37.170 2.322 -3.037
9 HB3 LEU 2 HB1 LEU 2 38.787 1.957 -2.445
10 HG LEU 2 HG LEU 2 37.879 -0.055 -1.276
11 HD11 LEU 2 HD11 LEU 2 35.310 0.945 -2.521
12 HD12 LEU 2 HD12 LEU 2 35.589 0.347 -0.884
13 HD13 LEU 2 HD13 LEU 2 35.540 -0.781 -2.233
14 HD21 LEU 2 HD21 LEU 2 37.590 -1.383 -3.322
15 HD22 LEU 2 HD22 LEU 2 38.864 -0.184 -3.548
16 HD23 LEU 2 HD23 LEU 2 37.267 0.085 -4.244
17 H PHE 3 HN PHE 3 35.825 1.968 0.931
18 HA PHE 3 HA PHE 3 33.405 3.006 -0.434
19 HB2 PHE 3 HB2 PHE 3 32.161 1.603 1.139
20 HB3 PHE 3 HB1 PHE 3 33.363 0.640 0.281
21 HD1 PHE 3 HD1 PHE 3 32.440 2.167 3.517
22 HD2 PHE 3 HD2 PHE 3 35.372 -0.201 1.414
23 HE1 PHE 3 HE1 PHE 3 33.462 1.500 5.690
24 HE2 PHE 3 HE2 PHE 3 36.394 -0.867 3.585
25 HZ PHE 3 HZ PHE 3 35.389 -0.078 5.725
26 H ASP 4 HN ASP 4 35.177 3.102 2.638
27 HA ASP 4 HA ASP 4 33.410 4.814 4.019
28 HB2 ASP 4 HB2 ASP 4 35.256 3.498 5.071
29 HB3 ASP 4 HB1 ASP 4 36.412 4.620 4.354
30 H ILE 5 HN ILE 5 35.998 5.423 1.727
31 HA ILE 5 HA ILE 5 36.107 8.260 2.175
32 HB ILE 5 HB ILE 5 37.016 6.801 -0.321
33 HG12 ILE 5 HG12 ILE 5 38.467 7.163 2.323
34 HG13 ILE 5 HG11 ILE 5 37.909 5.632 1.652
35 HG21 ILE 5 HG21 ILE 5 38.214 9.221 1.053
36 HG22 ILE 5 HG22 ILE 5 36.961 9.363 -0.178
37 HG23 ILE 5 HG23 ILE 5 38.514 8.643 -0.586
38 HD11 ILE 5 HD1 ILE 5 40.120 7.425 0.640
39 HD12 ILE 5 HD2 ILE 5 39.373 6.214 -0.404
40 HD13 ILE 5 HD3 ILE 5 40.205 5.718 1.069
41 H VAL 6 HN VAL 6 34.764 6.214 -0.422
42 HA VAL 6 HA VAL 6 33.633 8.228 -1.978
43 HB VAL 6 HB VAL 6 32.639 5.399 -1.510
44 HG11 VAL 6 HG11 VAL 6 30.796 6.616 -2.436
45 HG12 VAL 6 HG12 VAL 6 31.554 5.788 -3.795
46 HG13 VAL 6 HG13 VAL 6 31.847 7.508 -3.535
47 HG21 VAL 6 HG21 VAL 6 34.981 5.795 -2.465
48 HG22 VAL 6 HG22 VAL 6 34.189 6.533 -3.856
49 HG23 VAL 6 HG23 VAL 6 33.895 4.838 -3.472
50 H LYS 7 HN LYS 7 32.486 6.735 0.984
51 HA LYS 7 HA LYS 7 29.819 7.681 0.893
52 HB2 LYS 7 HB2 LYS 7 30.633 5.898 2.430
53 HB3 LYS 7 HB1 LYS 7 31.513 7.125 3.340
54 HG2 LYS 7 HG2 LYS 7 29.476 8.256 3.942
55 HG3 LYS 7 HG1 LYS 7 28.529 7.259 2.837
56 HD2 LYS 7 HD2 LYS 7 29.054 5.258 4.167
57 HD3 LYS 7 HD1 LYS 7 30.030 6.234 5.265
58 HE2 LYS 7 HE2 LYS 7 28.074 7.526 5.927
59 HE3 LYS 7 HE1 LYS 7 27.077 6.681 4.744
60 HZ1 LYS 7 HZ1 LYS 7 28.540 5.034 6.650
61 HZ2 LYS 7 HZ2 LYS 7 26.983 4.826 6.004
62 HZ3 LYS 7 HZ3 LYS 7 27.240 5.932 7.267
63 H LYS 8 HN LYS 8 32.844 9.146 1.892
64 HA LYS 8 HA LYS 8 31.668 11.380 3.245
65 HB2 LYS 8 HB2 LYS 8 34.033 10.522 3.555
66 HB3 LYS 8 HB1 LYS 8 34.422 11.258 2.000
67 HG2 LYS 8 HG2 LYS 8 33.545 13.444 2.907
68 HG3 LYS 8 HG1 LYS 8 33.409 12.669 4.485
69 HD2 LYS 8 HD2 LYS 8 35.973 12.890 2.875
70 HD3 LYS 8 HD1 LYS 8 35.545 13.927 4.232
71 HE2 LYS 8 HE2 LYS 8 35.276 11.686 5.560
72 HE3 LYS 8 HE1 LYS 8 36.236 10.990 4.254
73 HZ1 LYS 8 HZ1 LYS 8 36.991 13.207 6.072
74 HZ2 LYS 8 HZ2 LYS 8 37.869 12.812 4.672
75 HZ3 LYS 8 HZ3 LYS 8 37.725 11.684 5.934
76 H VAL 9 HN VAL 9 32.501 10.642 -0.066
77 HA VAL 9 HA VAL 9 32.416 13.329 -1.043
78 HB VAL 9 HB VAL 9 31.957 10.752 -2.580
79 HG11 VAL 9 HG11 VAL 9 31.239 12.667 -3.858
80 HG12 VAL 9 HG12 VAL 9 32.821 12.192 -4.474
81 HG13 VAL 9 HG13 VAL 9 32.676 13.581 -3.397
82 HG21 VAL 9 HG21 VAL 9 34.518 12.331 -2.171
83 HG22 VAL 9 HG22 VAL 9 34.343 10.823 -3.068
84 HG23 VAL 9 HG23 VAL 9 34.127 10.838 -1.318
85 H VAL 10 HN VAL 10 30.099 10.619 -1.164
86 HA VAL 10 HA VAL 10 28.008 12.057 -2.399
87 HB VAL 10 HB VAL 10 27.747 9.708 -0.497
88 HG11 VAL 10 HG11 VAL 10 25.943 10.896 -2.621
89 HG12 VAL 10 HG12 VAL 10 25.608 10.744 -0.896
90 HG13 VAL 10 HG13 VAL 10 25.685 9.303 -1.909
91 HG21 VAL 10 HG21 VAL 10 28.158 9.814 -3.504
92 HG22 VAL 10 HG22 VAL 10 27.765 8.355 -2.594
93 HG23 VAL 10 HG23 VAL 10 29.299 9.180 -2.317
94 H GLY 11 HN GLY 11 29.147 11.929 0.878
95 HA2 GLY 11 HA1 GLY 11 26.865 12.736 2.273
96 HA3 GLY 11 HA2 GLY 11 28.521 13.057 2.769
97 H ALA 12 HN ALA 12 29.392 14.690 0.722
98 HA ALA 12 HA ALA 12 28.257 17.195 1.492
99 HB1 ALA 12 HB1 ALA 12 30.621 16.974 0.916
100 HB2 ALA 12 HB2 ALA 12 29.831 18.145 -0.139
101 HB3 ALA 12 HB3 ALA 12 30.186 16.524 -0.734
102 H PHE 13 HN PHE 13 27.975 15.111 -1.341
103 HA PHE 13 HA PHE 13 26.686 16.830 -3.109
104 HB2 PHE 13 HB2 PHE 13 27.450 14.510 -3.636
105 HB3 PHE 13 HB1 PHE 13 26.072 13.892 -2.725
106 HD1 PHE 13 HD1 PHE 13 23.761 14.216 -3.526
107 HD2 PHE 13 HD2 PHE 13 27.153 15.616 -5.797
108 HE1 PHE 13 HE1 PHE 13 22.301 14.512 -5.523
109 HE2 PHE 13 HE2 PHE 13 25.694 15.912 -7.795
110 HZ PHE 13 HZ PHE 13 23.254 15.432 -7.634
111 H GLY 14 HN GLY 14 25.564 15.482 -0.147
112 HA2 GLY 14 HA1 GLY 14 22.757 15.668 -0.683
113 HA3 GLY 14 HA2 GLY 14 23.509 15.455 0.891
114 H SER 15 HN SER 15 24.405 18.094 -1.199
115 HA SER 15 HA SER 15 22.575 20.017 -0.166
116 HB2 SER 15 HB2 SER 15 23.837 19.739 1.895
117 HB3 SER 15 HB1 SER 15 25.355 19.972 1.031
118 HG SER 15 HG SER 15 24.287 22.058 0.370
119 H LEU 16 HN LEU 16 26.076 20.197 -0.813
120 HA LEU 16 HA LEU 16 25.727 22.373 -2.660
121 HB2 LEU 16 HB2 LEU 16 28.227 20.703 -2.361
122 HB3 LEU 16 HB1 LEU 16 28.091 22.401 -2.818
123 HG LEU 16 HG LEU 16 27.488 21.205 -0.095
124 HD11 LEU 16 HD11 LEU 16 29.559 23.256 -0.928
125 HD12 LEU 16 HD12 LEU 16 29.902 21.534 -0.755
126 HD13 LEU 16 HD13 LEU 16 29.404 22.481 0.648
127 HD21 LEU 16 HD21 LEU 16 25.906 22.970 -0.388
128 HD22 LEU 16 HD22 LEU 16 27.078 23.988 -1.225
129 HD23 LEU 16 HD23 LEU 16 27.236 23.701 0.507
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 39.948 2.293 2.673
2 H2 GLY 1 HT2 GLY 1 39.234 0.815 2.231
3 H3 GLY 1 HT3 GLY 1 39.624 1.123 3.856
4 HA2 GLY 1 HA1 GLY 1 37.293 1.343 3.497
5 HA3 GLY 1 HA2 GLY 1 38.031 2.874 3.945
6 H LEU 2 HN LEU 2 38.103 1.215 0.824
7 HA LEU 2 HA LEU 2 37.775 3.375 -0.823
8 HB2 LEU 2 HB2 LEU 2 38.272 1.194 -1.718
9 HB3 LEU 2 HB1 LEU 2 36.745 0.545 -1.131
10 HG LEU 2 HG LEU 2 35.500 1.952 -2.700
11 HD11 LEU 2 HD11 LEU 2 36.928 3.209 -4.460
12 HD12 LEU 2 HD12 LEU 2 38.250 3.073 -3.302
13 HD13 LEU 2 HD13 LEU 2 36.785 3.952 -2.871
14 HD21 LEU 2 HD21 LEU 2 37.821 0.578 -4.088
15 HD22 LEU 2 HD22 LEU 2 36.229 0.895 -4.776
16 HD23 LEU 2 HD23 LEU 2 36.403 -0.251 -3.447
17 H PHE 3 HN PHE 3 35.263 1.605 0.908
18 HA PHE 3 HA PHE 3 33.100 3.127 -0.308
19 HB2 PHE 3 HB2 PHE 3 32.796 0.754 0.354
20 HB3 PHE 3 HB1 PHE 3 33.056 1.208 2.038
21 HD1 PHE 3 HD1 PHE 3 30.833 1.701 -0.915
22 HD2 PHE 3 HD2 PHE 3 31.320 2.258 3.338
23 HE1 PHE 3 HE1 PHE 3 28.433 2.341 -0.723
24 HE2 PHE 3 HE2 PHE 3 28.919 2.900 3.529
25 HZ PHE 3 HZ PHE 3 27.477 2.947 1.498
26 H ASP 4 HN ASP 4 35.155 3.263 2.456
27 HA ASP 4 HA ASP 4 33.500 4.947 4.082
28 HB2 ASP 4 HB2 ASP 4 35.401 3.545 4.938
29 HB3 ASP 4 HB1 ASP 4 36.510 4.681 4.170
30 H ILE 5 HN ILE 5 36.160 5.536 1.805
31 HA ILE 5 HA ILE 5 36.204 8.366 2.209
32 HB ILE 5 HB ILE 5 37.211 6.860 -0.225
33 HG12 ILE 5 HG12 ILE 5 38.603 7.427 2.416
34 HG13 ILE 5 HG11 ILE 5 38.074 5.841 1.859
35 HG21 ILE 5 HG21 ILE 5 38.268 9.393 1.066
36 HG22 ILE 5 HG22 ILE 5 37.078 9.419 -0.232
37 HG23 ILE 5 HG23 ILE 5 38.674 8.738 -0.519
38 HD11 ILE 5 HD1 ILE 5 39.550 6.305 -0.230
39 HD12 ILE 5 HD2 ILE 5 40.366 5.900 1.280
40 HD13 ILE 5 HD3 ILE 5 40.281 7.577 0.750
41 H VAL 6 HN VAL 6 34.763 6.244 -0.258
42 HA VAL 6 HA VAL 6 33.711 8.311 -1.876
43 HB VAL 6 HB VAL 6 32.786 5.444 -1.511
44 HG11 VAL 6 HG11 VAL 6 31.724 5.871 -3.803
45 HG12 VAL 6 HG12 VAL 6 31.954 7.589 -3.480
46 HG13 VAL 6 HG13 VAL 6 30.917 6.625 -2.429
47 HG21 VAL 6 HG21 VAL 6 34.088 4.979 -3.468
48 HG22 VAL 6 HG22 VAL 6 35.130 5.944 -2.423
49 HG23 VAL 6 HG23 VAL 6 34.328 6.693 -3.802
50 H LYS 7 HN LYS 7 32.788 7.140 1.203
51 HA LYS 7 HA LYS 7 29.997 7.789 1.065
52 HB2 LYS 7 HB2 LYS 7 30.965 6.185 2.712
53 HB3 LYS 7 HB1 LYS 7 31.760 7.540 3.513
54 HG2 LYS 7 HG2 LYS 7 29.637 8.562 4.042
55 HG3 LYS 7 HG1 LYS 7 28.768 7.384 3.056
56 HD2 LYS 7 HD2 LYS 7 29.545 5.573 4.560
57 HD3 LYS 7 HD1 LYS 7 30.362 6.772 5.562
58 HE2 LYS 7 HE2 LYS 7 27.384 6.565 5.041
59 HE3 LYS 7 HE1 LYS 7 28.214 6.294 6.574
60 HZ1 LYS 7 HZ1 LYS 7 27.728 8.436 6.926
61 HZ2 LYS 7 HZ2 LYS 7 27.484 8.773 5.279
62 HZ3 LYS 7 HZ3 LYS 7 29.057 8.751 5.921
63 H LYS 8 HN LYS 8 32.928 9.534 1.822
64 HA LYS 8 HA LYS 8 31.649 11.774 3.074
65 HB2 LYS 8 HB2 LYS 8 34.062 11.144 3.382
66 HB3 LYS 8 HB1 LYS 8 34.359 11.693 1.733
67 HG2 LYS 8 HG2 LYS 8 33.547 13.937 2.311
68 HG3 LYS 8 HG1 LYS 8 33.191 13.399 3.952
69 HD2 LYS 8 HD2 LYS 8 35.591 12.853 4.277
70 HD3 LYS 8 HD1 LYS 8 35.932 13.458 2.655
71 HE2 LYS 8 HE2 LYS 8 34.987 15.674 3.335
72 HE3 LYS 8 HE1 LYS 8 34.811 15.052 4.977
73 HZ1 LYS 8 HZ1 LYS 8 36.869 15.879 5.209
74 HZ2 LYS 8 HZ2 LYS 8 37.200 15.850 3.544
75 HZ3 LYS 8 HZ3 LYS 8 37.349 14.432 4.466
76 H VAL 9 HN VAL 9 32.711 11.008 -0.212
77 HA VAL 9 HA VAL 9 32.277 13.566 -1.336
78 HB VAL 9 HB VAL 9 32.008 10.904 -2.763
79 HG11 VAL 9 HG11 VAL 9 31.240 12.816 -4.071
80 HG12 VAL 9 HG12 VAL 9 32.796 12.272 -4.701
81 HG13 VAL 9 HG13 VAL 9 32.710 13.708 -3.681
82 HG21 VAL 9 HG21 VAL 9 34.484 12.597 -2.284
83 HG22 VAL 9 HG22 VAL 9 34.413 11.104 -3.221
84 HG23 VAL 9 HG23 VAL 9 34.136 11.066 -1.479
85 H VAL 10 HN VAL 10 30.231 10.638 -1.489
86 HA VAL 10 HA VAL 10 28.014 11.931 -2.673
87 HB VAL 10 HB VAL 10 28.021 9.440 -0.940
88 HG11 VAL 10 HG11 VAL 10 25.969 8.933 -2.349
89 HG12 VAL 10 HG12 VAL 10 26.031 10.608 -2.902
90 HG13 VAL 10 HG13 VAL 10 25.773 10.250 -1.194
91 HG21 VAL 10 HG21 VAL 10 28.308 9.813 -3.941
92 HG22 VAL 10 HG22 VAL 10 28.123 8.257 -3.131
93 HG23 VAL 10 HG23 VAL 10 29.562 9.235 -2.842
94 H GLY 11 HN GLY 11 28.878 11.283 0.699
95 HA2 GLY 11 HA1 GLY 11 26.468 12.146 1.871
96 HA3 GLY 11 HA2 GLY 11 28.032 12.083 2.672
97 H ALA 12 HN ALA 12 29.077 13.900 0.459
98 HA ALA 12 HA ALA 12 28.597 16.378 1.857
99 HB1 ALA 12 HB1 ALA 12 30.798 15.762 0.886
100 HB2 ALA 12 HB2 ALA 12 30.201 17.320 0.312
101 HB3 ALA 12 HB3 ALA 12 30.089 15.895 -0.723
102 H PHE 13 HN PHE 13 27.308 14.780 -0.931
103 HA PHE 13 HA PHE 13 25.756 15.401 -2.513
104 HB2 PHE 13 HB2 PHE 13 24.914 17.204 -0.231
105 HB3 PHE 13 HB1 PHE 13 23.950 16.893 -1.674
106 HD1 PHE 13 HD1 PHE 13 23.477 14.391 -2.270
107 HD2 PHE 13 HD2 PHE 13 24.733 15.741 1.634
108 HE1 PHE 13 HE1 PHE 13 22.603 12.287 -1.260
109 HE2 PHE 13 HE2 PHE 13 23.859 13.638 2.642
110 HZ PHE 13 HZ PHE 13 22.738 11.940 1.203
111 H GLY 14 HN GLY 14 28.331 16.842 -2.431
112 HA2 GLY 14 HA1 GLY 14 28.185 19.564 -2.814
113 HA3 GLY 14 HA2 GLY 14 29.324 18.515 -3.646
114 H SER 15 HN SER 15 26.874 17.082 -4.805
115 HA SER 15 HA SER 15 25.614 19.009 -6.527
116 HB2 SER 15 HB2 SER 15 27.846 18.901 -7.577
117 HB3 SER 15 HB1 SER 15 27.681 17.155 -7.736
118 HG SER 15 HG SER 15 26.998 18.761 -9.527
119 H LEU 16 HN LEU 16 26.402 15.676 -5.745
120 HA LEU 16 HA LEU 16 24.434 14.424 -7.355
121 HB2 LEU 16 HB2 LEU 16 25.925 13.609 -4.859
122 HB3 LEU 16 HB1 LEU 16 24.683 12.566 -5.549
123 HG LEU 16 HG LEU 16 25.879 12.459 -7.666
124 HD11 LEU 16 HD11 LEU 16 26.856 14.619 -7.889
125 HD12 LEU 16 HD12 LEU 16 28.225 13.521 -7.725
126 HD13 LEU 16 HD13 LEU 16 27.699 14.486 -6.345
127 HD21 LEU 16 HD21 LEU 16 26.532 10.899 -5.840
128 HD22 LEU 16 HD22 LEU 16 27.779 12.039 -5.336
129 HD23 LEU 16 HD23 LEU 16 27.885 11.259 -6.914
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 37.648 1.271 4.321
2 H2 GLY 1 HT2 GLY 1 38.854 1.831 3.262
3 H3 GLY 1 HT3 GLY 1 38.923 0.247 3.875
4 HA2 GLY 1 HA1 GLY 1 38.063 -0.254 1.917
5 HA3 GLY 1 HA2 GLY 1 36.575 0.138 2.770
6 H LEU 2 HN LEU 2 37.449 0.373 -0.111
7 HA LEU 2 HA LEU 2 37.736 3.079 -0.811
8 HB2 LEU 2 HB2 LEU 2 37.248 2.426 -3.044
9 HB3 LEU 2 HB1 LEU 2 38.095 1.069 -2.313
10 HG LEU 2 HG LEU 2 35.089 1.292 -2.720
11 HD11 LEU 2 HD11 LEU 2 36.400 0.839 -4.763
12 HD12 LEU 2 HD12 LEU 2 35.443 -0.564 -4.286
13 HD13 LEU 2 HD13 LEU 2 37.175 -0.525 -3.957
14 HD21 LEU 2 HD21 LEU 2 36.818 -0.787 -1.347
15 HD22 LEU 2 HD22 LEU 2 35.217 -1.172 -1.976
16 HD23 LEU 2 HD23 LEU 2 35.395 0.033 -0.706
17 H PHE 3 HN PHE 3 35.074 1.444 0.507
18 HA PHE 3 HA PHE 3 33.046 3.225 -0.625
19 HB2 PHE 3 HB2 PHE 3 32.600 0.797 -0.148
20 HB3 PHE 3 HB1 PHE 3 32.759 1.160 1.571
21 HD1 PHE 3 HD1 PHE 3 30.627 1.451 -1.396
22 HD2 PHE 3 HD2 PHE 3 31.166 2.729 2.691
23 HE1 PHE 3 HE1 PHE 3 28.263 2.231 -1.328
24 HE2 PHE 3 HE2 PHE 3 28.799 3.509 2.759
25 HZ PHE 3 HZ PHE 3 27.342 3.240 0.755
26 H ASP 4 HN ASP 4 34.869 2.764 2.343
27 HA ASP 4 HA ASP 4 33.371 4.473 4.018
28 HB2 ASP 4 HB2 ASP 4 36.314 3.768 4.069
29 HB3 ASP 4 HB1 ASP 4 35.458 4.597 5.370
30 H ILE 5 HN ILE 5 35.973 5.069 1.718
31 HA ILE 5 HA ILE 5 36.326 7.829 2.430
32 HB ILE 5 HB ILE 5 37.091 6.549 -0.211
33 HG12 ILE 5 HG12 ILE 5 38.593 6.519 2.431
34 HG13 ILE 5 HG11 ILE 5 37.885 5.116 1.631
35 HG21 ILE 5 HG21 ILE 5 37.264 9.080 0.191
36 HG22 ILE 5 HG22 ILE 5 38.742 8.269 -0.315
37 HG23 ILE 5 HG23 ILE 5 38.510 8.703 1.379
38 HD11 ILE 5 HD1 ILE 5 40.170 5.045 1.007
39 HD12 ILE 5 HD2 ILE 5 40.241 6.787 0.744
40 HD13 ILE 5 HD3 ILE 5 39.369 5.757 -0.393
41 H VAL 6 HN VAL 6 34.916 6.229 -0.438
42 HA VAL 6 HA VAL 6 33.917 8.498 -1.695
43 HB VAL 6 HB VAL 6 32.746 5.698 -1.675
44 HG11 VAL 6 HG11 VAL 6 32.224 8.117 -3.422
45 HG12 VAL 6 HG12 VAL 6 31.050 7.173 -2.506
46 HG13 VAL 6 HG13 VAL 6 31.823 6.476 -3.929
47 HG21 VAL 6 HG21 VAL 6 34.070 5.332 -3.647
48 HG22 VAL 6 HG22 VAL 6 35.157 6.030 -2.448
49 HG23 VAL 6 HG23 VAL 6 34.514 7.036 -3.744
50 H LYS 7 HN LYS 7 32.875 7.013 1.218
51 HA LYS 7 HA LYS 7 30.139 7.728 1.199
52 HB2 LYS 7 HB2 LYS 7 31.312 6.167 2.834
53 HB3 LYS 7 HB1 LYS 7 31.900 7.613 3.657
54 HG2 LYS 7 HG2 LYS 7 29.418 8.356 3.724
55 HG3 LYS 7 HG1 LYS 7 29.041 6.685 3.309
56 HD2 LYS 7 HD2 LYS 7 30.610 7.619 5.732
57 HD3 LYS 7 HD1 LYS 7 28.971 6.971 5.738
58 HE2 LYS 7 HE2 LYS 7 29.969 4.866 4.649
59 HE3 LYS 7 HE1 LYS 7 31.544 5.522 5.100
60 HZ1 LYS 7 HZ1 LYS 7 30.628 5.716 7.409
61 HZ2 LYS 7 HZ2 LYS 7 30.868 4.129 6.854
62 HZ3 LYS 7 HZ3 LYS 7 29.303 4.791 6.893
63 H LYS 8 HN LYS 8 33.059 9.472 2.154
64 HA LYS 8 HA LYS 8 31.725 11.721 3.282
65 HB2 LYS 8 HB2 LYS 8 34.120 11.103 3.698
66 HB3 LYS 8 HB1 LYS 8 34.490 11.638 2.058
67 HG2 LYS 8 HG2 LYS 8 33.706 13.888 2.567
68 HG3 LYS 8 HG1 LYS 8 33.189 13.377 4.175
69 HD2 LYS 8 HD2 LYS 8 35.503 12.857 4.786
70 HD3 LYS 8 HD1 LYS 8 36.047 13.285 3.162
71 HE2 LYS 8 HE2 LYS 8 35.147 15.593 3.522
72 HE3 LYS 8 HE1 LYS 8 34.764 15.146 5.184
73 HZ1 LYS 8 HZ1 LYS 8 37.060 14.732 5.619
74 HZ2 LYS 8 HZ2 LYS 8 36.929 16.279 4.930
75 HZ3 LYS 8 HZ3 LYS 8 37.477 14.972 3.993
76 H VAL 9 HN VAL 9 32.888 10.936 0.040
77 HA VAL 9 HA VAL 9 32.621 13.451 -1.158
78 HB VAL 9 HB VAL 9 32.067 10.762 -2.451
79 HG11 VAL 9 HG11 VAL 9 32.874 12.023 -4.494
80 HG12 VAL 9 HG12 VAL 9 32.779 13.501 -3.536
81 HG13 VAL 9 HG13 VAL 9 31.320 12.566 -3.865
82 HG21 VAL 9 HG21 VAL 9 34.422 10.715 -3.003
83 HG22 VAL 9 HG22 VAL 9 34.292 10.973 -1.263
84 HG23 VAL 9 HG23 VAL 9 34.662 12.327 -2.330
85 H VAL 10 HN VAL 10 30.284 10.757 -1.410
86 HA VAL 10 HA VAL 10 28.188 12.243 -2.501
87 HB VAL 10 HB VAL 10 27.922 9.865 -0.635
88 HG11 VAL 10 HG11 VAL 10 25.789 10.936 -0.978
89 HG12 VAL 10 HG12 VAL 10 25.831 9.514 -2.021
90 HG13 VAL 10 HG13 VAL 10 26.097 11.118 -2.705
91 HG21 VAL 10 HG21 VAL 10 28.002 8.501 -2.655
92 HG22 VAL 10 HG22 VAL 10 29.461 9.487 -2.579
93 HG23 VAL 10 HG23 VAL 10 28.145 9.942 -3.661
94 H GLY 11 HN GLY 11 29.296 11.957 0.798
95 HA2 GLY 11 HA1 GLY 11 27.095 12.758 2.254
96 HA3 GLY 11 HA2 GLY 11 28.754 13.158 2.676
97 H ALA 12 HN ALA 12 29.234 14.697 0.258
98 HA ALA 12 HA ALA 12 28.285 17.233 1.178
99 HB1 ALA 12 HB1 ALA 12 29.637 16.512 -1.427
100 HB2 ALA 12 HB2 ALA 12 30.468 16.938 0.070
101 HB3 ALA 12 HB3 ALA 12 29.468 18.134 -0.755
102 H PHE 13 HN PHE 13 27.605 15.251 -1.704
103 HA PHE 13 HA PHE 13 25.555 17.036 -2.662
104 HB2 PHE 13 HB2 PHE 13 26.288 14.206 -3.453
105 HB3 PHE 13 HB1 PHE 13 25.116 15.218 -4.301
106 HD1 PHE 13 HD1 PHE 13 28.683 14.651 -3.587
107 HD2 PHE 13 HD2 PHE 13 25.830 17.251 -5.517
108 HE1 PHE 13 HE1 PHE 13 30.531 15.736 -4.857
109 HE2 PHE 13 HE2 PHE 13 27.678 18.337 -6.787
110 HZ PHE 13 HZ PHE 13 30.034 17.612 -6.423
111 H GLY 14 HN GLY 14 25.695 14.695 -0.237
112 HA2 GLY 14 HA1 GLY 14 23.326 13.312 -0.320
113 HA3 GLY 14 HA2 GLY 14 24.075 13.875 1.169
114 H SER 15 HN SER 15 23.825 16.691 0.491
115 HA SER 15 HA SER 15 21.185 17.135 1.511
116 HB2 SER 15 HB2 SER 15 21.801 19.561 1.182
117 HB3 SER 15 HB1 SER 15 22.923 18.645 2.184
118 HG SER 15 HG SER 15 23.866 19.986 0.473
119 H LEU 16 HN LEU 16 22.780 17.811 -1.601
120 HA LEU 16 HA LEU 16 20.441 18.880 -2.842
121 HB2 LEU 16 HB2 LEU 16 23.096 17.866 -3.867
122 HB3 LEU 16 HB1 LEU 16 21.821 18.348 -4.983
123 HG LEU 16 HG LEU 16 21.751 20.584 -3.991
124 HD11 LEU 16 HD11 LEU 16 23.638 21.141 -2.324
125 HD12 LEU 16 HD12 LEU 16 23.780 19.401 -2.081
126 HD13 LEU 16 HD13 LEU 16 22.268 20.225 -1.698
127 HD21 LEU 16 HD21 LEU 16 23.977 21.354 -4.704
128 HD22 LEU 16 HD22 LEU 16 23.377 20.115 -5.807
129 HD23 LEU 16 HD23 LEU 16 24.594 19.705 -4.598
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 39.921 1.689 1.640
2 H2 GLY 1 HT2 GLY 1 40.072 1.086 3.222
3 H3 GLY 1 HT3 GLY 1 40.449 2.709 2.886
4 HA2 GLY 1 HA1 GLY 1 37.890 1.411 3.211
5 HA3 GLY 1 HA2 GLY 1 38.428 2.998 3.740
6 H LEU 2 HN LEU 2 38.539 1.504 0.530
7 HA LEU 2 HA LEU 2 37.939 3.677 -1.008
8 HB2 LEU 2 HB2 LEU 2 38.550 1.570 -2.007
9 HB3 LEU 2 HB1 LEU 2 37.104 0.791 -1.376
10 HG LEU 2 HG LEU 2 35.685 2.152 -2.823
11 HD11 LEU 2 HD11 LEU 2 38.306 3.518 -3.493
12 HD12 LEU 2 HD12 LEU 2 36.791 4.255 -2.972
13 HD13 LEU 2 HD13 LEU 2 36.928 3.587 -4.593
14 HD21 LEU 2 HD21 LEU 2 36.335 1.203 -4.948
15 HD22 LEU 2 HD22 LEU 2 36.786 0.053 -3.690
16 HD23 LEU 2 HD23 LEU 2 38.016 1.074 -4.433
17 H PHE 3 HN PHE 3 35.669 1.645 0.773
18 HA PHE 3 HA PHE 3 33.330 3.037 -0.258
19 HB2 PHE 3 HB2 PHE 3 33.534 1.092 2.057
20 HB3 PHE 3 HB1 PHE 3 32.067 1.577 1.207
21 HD1 PHE 3 HD1 PHE 3 35.245 -0.322 0.939
22 HD2 PHE 3 HD2 PHE 3 31.507 0.670 -0.978
23 HE1 PHE 3 HE1 PHE 3 35.615 -2.139 -0.726
24 HE2 PHE 3 HE2 PHE 3 31.878 -1.146 -2.643
25 HZ PHE 3 HZ PHE 3 33.876 -2.621 -2.444
26 H ASP 4 HN ASP 4 35.500 3.186 2.434
27 HA ASP 4 HA ASP 4 33.852 4.691 4.206
28 HB2 ASP 4 HB2 ASP 4 35.969 3.436 4.819
29 HB3 ASP 4 HB1 ASP 4 36.873 4.756 4.075
30 H ILE 5 HN ILE 5 36.231 5.581 1.735
31 HA ILE 5 HA ILE 5 36.026 8.405 2.230
32 HB ILE 5 HB ILE 5 37.051 7.072 -0.294
33 HG12 ILE 5 HG12 ILE 5 38.459 7.616 2.343
34 HG13 ILE 5 HG11 ILE 5 38.159 6.038 1.619
35 HG21 ILE 5 HG21 ILE 5 37.936 9.647 1.041
36 HG22 ILE 5 HG22 ILE 5 36.667 9.606 -0.183
37 HG23 ILE 5 HG23 ILE 5 38.302 9.094 -0.593
38 HD11 ILE 5 HD1 ILE 5 39.512 6.932 -0.410
39 HD12 ILE 5 HD2 ILE 5 40.409 6.504 1.047
40 HD13 ILE 5 HD3 ILE 5 40.061 8.194 0.695
41 H VAL 6 HN VAL 6 34.961 6.340 -0.492
42 HA VAL 6 HA VAL 6 33.565 8.211 -1.953
43 HB VAL 6 HB VAL 6 32.886 5.288 -1.509
44 HG11 VAL 6 HG11 VAL 6 30.878 6.287 -2.345
45 HG12 VAL 6 HG12 VAL 6 31.678 5.593 -3.753
46 HG13 VAL 6 HG13 VAL 6 31.772 7.329 -3.451
47 HG21 VAL 6 HG21 VAL 6 34.202 6.637 -3.885
48 HG22 VAL 6 HG22 VAL 6 34.120 4.912 -3.532
49 HG23 VAL 6 HG23 VAL 6 35.128 5.967 -2.544
50 H LYS 7 HN LYS 7 32.691 6.781 1.102
51 HA LYS 7 HA LYS 7 29.909 7.373 1.024
52 HB2 LYS 7 HB2 LYS 7 30.919 5.777 2.633
53 HB3 LYS 7 HB1 LYS 7 31.719 7.129 3.437
54 HG2 LYS 7 HG2 LYS 7 29.627 8.096 4.096
55 HG3 LYS 7 HG1 LYS 7 28.718 7.015 3.043
56 HD2 LYS 7 HD2 LYS 7 28.525 6.213 5.330
57 HD3 LYS 7 HD1 LYS 7 29.510 5.077 4.411
58 HE2 LYS 7 HE2 LYS 7 30.820 7.307 5.974
59 HE3 LYS 7 HE1 LYS 7 30.346 5.807 6.771
60 HZ1 LYS 7 HZ1 LYS 7 32.204 4.916 6.012
61 HZ2 LYS 7 HZ2 LYS 7 32.572 6.304 5.104
62 HZ3 LYS 7 HZ3 LYS 7 31.616 5.073 4.430
63 H LYS 8 HN LYS 8 32.750 9.154 2.152
64 HA LYS 8 HA LYS 8 31.262 11.354 3.226
65 HB2 LYS 8 HB2 LYS 8 34.168 11.083 2.424
66 HB3 LYS 8 HB1 LYS 8 33.489 12.491 3.243
67 HG2 LYS 8 HG2 LYS 8 32.926 11.215 5.185
68 HG3 LYS 8 HG1 LYS 8 33.219 9.687 4.353
69 HD2 LYS 8 HD2 LYS 8 35.098 10.228 5.844
70 HD3 LYS 8 HD1 LYS 8 35.618 10.255 4.160
71 HE2 LYS 8 HE2 LYS 8 35.685 12.623 4.099
72 HE3 LYS 8 HE1 LYS 8 34.705 12.776 5.559
73 HZ1 LYS 8 HZ1 LYS 8 37.402 12.874 5.473
74 HZ2 LYS 8 HZ2 LYS 8 37.121 11.265 5.938
75 HZ3 LYS 8 HZ3 LYS 8 36.481 12.542 6.859
76 H VAL 9 HN VAL 9 32.535 10.521 0.083
77 HA VAL 9 HA VAL 9 32.562 13.066 -1.111
78 HB VAL 9 HB VAL 9 31.916 10.409 -2.430
79 HG11 VAL 9 HG11 VAL 9 32.781 13.110 -3.496
80 HG12 VAL 9 HG12 VAL 9 31.316 12.214 -3.899
81 HG13 VAL 9 HG13 VAL 9 32.887 11.625 -4.441
82 HG21 VAL 9 HG21 VAL 9 34.565 11.863 -2.121
83 HG22 VAL 9 HG22 VAL 9 34.312 10.316 -2.929
84 HG23 VAL 9 HG23 VAL 9 34.082 10.448 -1.186
85 H VAL 10 HN VAL 10 30.082 10.552 -1.642
86 HA VAL 10 HA VAL 10 28.165 12.281 -2.740
87 HB VAL 10 HB VAL 10 26.510 10.492 -2.178
88 HG11 VAL 10 HG11 VAL 10 27.482 8.824 -3.631
89 HG12 VAL 10 HG12 VAL 10 29.115 9.375 -3.254
90 HG13 VAL 10 HG13 VAL 10 28.031 10.404 -4.192
91 HG21 VAL 10 HG21 VAL 10 27.369 9.762 -0.033
92 HG22 VAL 10 HG22 VAL 10 28.919 9.326 -0.750
93 HG23 VAL 10 HG23 VAL 10 27.472 8.399 -1.146
94 H GLY 11 HN GLY 11 29.236 11.945 0.473
95 HA2 GLY 11 HA1 GLY 11 26.831 12.677 1.826
96 HA3 GLY 11 HA2 GLY 11 28.457 12.714 2.495
97 H ALA 12 HN ALA 12 29.188 14.427 0.049
98 HA ALA 12 HA ALA 12 28.832 16.961 1.361
99 HB1 ALA 12 HB1 ALA 12 30.850 16.283 0.019
100 HB2 ALA 12 HB2 ALA 12 30.173 17.855 -0.405
101 HB3 ALA 12 HB3 ALA 12 29.861 16.453 -1.429
102 H PHE 13 HN PHE 13 26.765 15.142 -0.437
103 HA PHE 13 HA PHE 13 24.839 15.570 -1.617
104 HB2 PHE 13 HB2 PHE 13 25.002 18.275 -0.271
105 HB3 PHE 13 HB1 PHE 13 23.557 17.500 -0.922
106 HD1 PHE 13 HD1 PHE 13 22.721 15.339 0.104
107 HD2 PHE 13 HD2 PHE 13 25.819 17.732 1.927
108 HE1 PHE 13 HE1 PHE 13 22.359 14.161 2.268
109 HE2 PHE 13 HE2 PHE 13 25.455 16.552 4.091
110 HZ PHE 13 HZ PHE 13 23.683 14.812 4.277
111 H GLY 14 HN GLY 14 27.355 16.128 -2.919
112 HA2 GLY 14 HA1 GLY 14 27.397 18.565 -4.297
113 HA3 GLY 14 HA2 GLY 14 28.145 17.072 -4.849
114 H SER 15 HN SER 15 25.003 16.309 -4.387
115 HA SER 15 HA SER 15 23.781 17.470 -6.704
116 HB2 SER 15 HB2 SER 15 23.699 15.505 -8.112
117 HB3 SER 15 HB1 SER 15 25.385 15.869 -7.759
118 HG SER 15 HG SER 15 25.174 14.316 -6.012
119 H LEU 16 HN LEU 16 23.705 14.306 -5.037
120 HA LEU 16 HA LEU 16 20.840 14.285 -4.918
121 HB2 LEU 16 HB2 LEU 16 22.659 12.576 -3.217
122 HB3 LEU 16 HB1 LEU 16 21.060 12.187 -3.850
123 HG LEU 16 HG LEU 16 23.611 12.511 -5.458
124 HD11 LEU 16 HD11 LEU 16 23.312 10.380 -4.165
125 HD12 LEU 16 HD12 LEU 16 23.352 10.140 -5.911
126 HD13 LEU 16 HD13 LEU 16 21.812 10.105 -5.051
127 HD21 LEU 16 HD21 LEU 16 21.851 13.361 -6.835
128 HD22 LEU 16 HD22 LEU 16 20.723 12.119 -6.293
129 HD23 LEU 16 HD23 LEU 16 22.070 11.688 -7.348
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 39.740 -1.116 3.330
2 H2 GLY 1 HT2 GLY 1 39.181 0.466 3.604
3 H3 GLY 1 HT3 GLY 1 40.540 0.198 2.617
4 HA2 GLY 1 HA1 GLY 1 39.085 -1.099 1.129
5 HA3 GLY 1 HA2 GLY 1 37.739 -0.478 2.077
6 H LEU 2 HN LEU 2 36.761 0.901 0.747
7 HA LEU 2 HA LEU 2 38.045 3.396 0.130
8 HB2 LEU 2 HB2 LEU 2 37.973 3.307 -2.253
9 HB3 LEU 2 HB1 LEU 2 38.817 1.855 -1.729
10 HG LEU 2 HG LEU 2 35.925 2.054 -2.633
11 HD11 LEU 2 HD11 LEU 2 36.651 0.643 -4.457
12 HD12 LEU 2 HD12 LEU 2 38.252 0.463 -3.741
13 HD13 LEU 2 HD13 LEU 2 37.740 2.028 -4.371
14 HD21 LEU 2 HD21 LEU 2 37.462 -0.198 -1.310
15 HD22 LEU 2 HD22 LEU 2 36.078 -0.518 -2.354
16 HD23 LEU 2 HD23 LEU 2 35.869 0.436 -0.890
17 H PHE 3 HN PHE 3 35.464 1.586 0.938
18 HA PHE 3 HA PHE 3 33.365 3.136 -0.354
19 HB2 PHE 3 HB2 PHE 3 33.278 1.054 1.846
20 HB3 PHE 3 HB1 PHE 3 31.861 1.787 1.095
21 HD1 PHE 3 HD1 PHE 3 34.095 -0.973 0.927
22 HD2 PHE 3 HD2 PHE 3 31.851 1.744 -1.571
23 HE1 PHE 3 HE1 PHE 3 34.206 -2.604 -0.950
24 HE2 PHE 3 HE2 PHE 3 31.965 0.109 -3.447
25 HZ PHE 3 HZ PHE 3 33.178 -2.046 -3.150
26 H ASP 4 HN ASP 4 35.115 3.032 2.655
27 HA ASP 4 HA ASP 4 33.371 4.706 4.167
28 HB2 ASP 4 HB2 ASP 4 35.321 4.982 5.670
29 HB3 ASP 4 HB1 ASP 4 35.035 3.288 5.263
30 H ILE 5 HN ILE 5 35.862 5.279 1.813
31 HA ILE 5 HA ILE 5 36.158 8.103 2.433
32 HB ILE 5 HB ILE 5 37.103 6.683 -0.075
33 HG12 ILE 5 HG12 ILE 5 38.495 6.913 2.617
34 HG13 ILE 5 HG11 ILE 5 37.862 5.424 1.916
35 HG21 ILE 5 HG21 ILE 5 37.146 9.240 0.156
36 HG22 ILE 5 HG22 ILE 5 38.682 8.467 -0.223
37 HG23 ILE 5 HG23 ILE 5 38.347 9.003 1.424
38 HD11 ILE 5 HD1 ILE 5 40.191 7.097 0.964
39 HD12 ILE 5 HD2 ILE 5 39.393 5.945 -0.107
40 HD13 ILE 5 HD3 ILE 5 40.169 5.383 1.373
41 H VAL 6 HN VAL 6 34.916 6.224 -0.343
42 HA VAL 6 HA VAL 6 33.890 8.362 -1.811
43 HB VAL 6 HB VAL 6 32.885 5.503 -1.647
44 HG11 VAL 6 HG11 VAL 6 32.223 7.772 -3.540
45 HG12 VAL 6 HG12 VAL 6 31.102 6.793 -2.594
46 HG13 VAL 6 HG13 VAL 6 31.957 6.080 -3.962
47 HG21 VAL 6 HG21 VAL 6 34.248 5.151 -3.614
48 HG22 VAL 6 HG22 VAL 6 35.267 5.914 -2.394
49 HG23 VAL 6 HG23 VAL 6 34.619 6.871 -3.725
50 H LYS 7 HN LYS 7 32.673 6.817 1.055
51 HA LYS 7 HA LYS 7 29.958 7.582 0.864
52 HB2 LYS 7 HB2 LYS 7 30.744 5.922 2.492
53 HB3 LYS 7 HB1 LYS 7 31.665 7.170 3.331
54 HG2 LYS 7 HG2 LYS 7 29.671 8.344 3.966
55 HG3 LYS 7 HG1 LYS 7 28.673 7.356 2.898
56 HD2 LYS 7 HD2 LYS 7 29.201 5.360 4.255
57 HD3 LYS 7 HD1 LYS 7 30.181 6.356 5.333
58 HE2 LYS 7 HE2 LYS 7 27.239 6.840 4.791
59 HE3 LYS 7 HE1 LYS 7 27.850 5.948 6.184
60 HZ1 LYS 7 HZ1 LYS 7 28.966 7.850 6.976
61 HZ2 LYS 7 HZ2 LYS 7 27.405 8.372 6.554
62 HZ3 LYS 7 HZ3 LYS 7 28.721 8.704 5.531
63 H LYS 8 HN LYS 8 32.844 9.328 1.671
64 HA LYS 8 HA LYS 8 31.534 11.531 2.987
65 HB2 LYS 8 HB2 LYS 8 33.893 10.974 3.429
66 HB3 LYS 8 HB1 LYS 8 34.294 11.345 1.752
67 HG2 LYS 8 HG2 LYS 8 33.686 13.657 2.034
68 HG3 LYS 8 HG1 LYS 8 32.993 13.339 3.623
69 HD2 LYS 8 HD2 LYS 8 35.169 12.821 4.544
70 HD3 LYS 8 HD1 LYS 8 35.912 12.897 2.945
71 HE2 LYS 8 HE2 LYS 8 34.513 15.242 4.257
72 HE3 LYS 8 HE1 LYS 8 36.255 14.974 4.332
73 HZ1 LYS 8 HZ1 LYS 8 35.396 14.724 1.667
74 HZ2 LYS 8 HZ2 LYS 8 36.466 15.863 2.334
75 HZ3 LYS 8 HZ3 LYS 8 34.798 16.184 2.291
76 H VAL 9 HN VAL 9 32.924 10.987 -0.246
77 HA VAL 9 HA VAL 9 32.515 13.488 -1.362
78 HB VAL 9 HB VAL 9 32.084 10.859 -2.810
79 HG11 VAL 9 HG11 VAL 9 31.415 12.785 -4.128
80 HG12 VAL 9 HG12 VAL 9 32.966 12.209 -4.737
81 HG13 VAL 9 HG13 VAL 9 32.899 13.640 -3.708
82 HG21 VAL 9 HG21 VAL 9 34.624 12.403 -2.192
83 HG22 VAL 9 HG22 VAL 9 34.528 11.063 -3.335
84 HG23 VAL 9 HG23 VAL 9 34.212 10.785 -1.623
85 H VAL 10 HN VAL 10 30.277 10.710 -1.614
86 HA VAL 10 HA VAL 10 28.161 12.226 -2.739
87 HB VAL 10 HB VAL 10 26.734 10.280 -2.200
88 HG11 VAL 10 HG11 VAL 10 29.480 9.446 -3.182
89 HG12 VAL 10 HG12 VAL 10 28.267 10.253 -4.176
90 HG13 VAL 10 HG13 VAL 10 27.950 8.641 -3.532
91 HG21 VAL 10 HG21 VAL 10 27.884 8.316 -1.080
92 HG22 VAL 10 HG22 VAL 10 27.568 9.684 -0.013
93 HG23 VAL 10 HG23 VAL 10 29.192 9.416 -0.648
94 H GLY 11 HN GLY 11 29.343 11.931 0.459
95 HA2 GLY 11 HA1 GLY 11 26.907 12.467 1.856
96 HA3 GLY 11 HA2 GLY 11 28.535 12.588 2.510
97 H ALA 12 HN ALA 12 29.268 14.425 0.238
98 HA ALA 12 HA ALA 12 28.693 16.877 1.588
99 HB1 ALA 12 HB1 ALA 12 29.849 16.429 -1.168
100 HB2 ALA 12 HB2 ALA 12 30.779 16.485 0.330
101 HB3 ALA 12 HB3 ALA 12 29.928 17.923 -0.234
102 H PHE 13 HN PHE 13 27.599 15.440 -1.475
103 HA PHE 13 HA PHE 13 25.900 17.614 -2.189
104 HB2 PHE 13 HB2 PHE 13 26.796 15.875 -3.776
105 HB3 PHE 13 HB1 PHE 13 25.657 14.729 -3.069
106 HD1 PHE 13 HD1 PHE 13 23.205 15.058 -3.303
107 HD2 PHE 13 HD2 PHE 13 26.045 17.676 -5.231
108 HE1 PHE 13 HE1 PHE 13 21.396 15.941 -4.772
109 HE2 PHE 13 HE2 PHE 13 24.236 18.558 -6.700
110 HZ PHE 13 HZ PHE 13 21.900 17.733 -6.428
111 H GLY 14 HN GLY 14 25.581 14.924 -0.045
112 HA2 GLY 14 HA1 GLY 14 22.727 14.794 -0.013
113 HA3 GLY 14 HA2 GLY 14 23.816 14.092 1.174
114 H SER 15 HN SER 15 24.926 17.047 1.209
115 HA SER 15 HA SER 15 22.842 18.512 2.556
116 HB2 SER 15 HB2 SER 15 25.152 17.473 4.214
117 HB3 SER 15 HB1 SER 15 23.877 18.556 4.763
118 HG SER 15 HG SER 15 22.645 16.883 5.030
119 H LEU 16 HN LEU 16 23.595 19.888 0.793
120 HA LEU 16 HA LEU 16 26.139 20.883 0.425
121 HB2 LEU 16 HB2 LEU 16 24.294 21.405 -1.084
122 HB3 LEU 16 HB1 LEU 16 23.491 22.334 0.175
123 HG LEU 16 HG LEU 16 25.324 23.968 0.185
124 HD11 LEU 16 HD11 LEU 16 27.020 23.711 -1.790
125 HD12 LEU 16 HD12 LEU 16 26.572 22.006 -1.752
126 HD13 LEU 16 HD13 LEU 16 27.294 22.763 -0.332
127 HD21 LEU 16 HD21 LEU 16 24.972 24.883 -2.083
128 HD22 LEU 16 HD22 LEU 16 23.464 24.270 -1.405
129 HD23 LEU 16 HD23 LEU 16 24.337 23.325 -2.611
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 39.953 2.582 3.290
2 H2 GLY 1 HT2 GLY 1 39.916 1.152 4.208
3 H3 GLY 1 HT3 GLY 1 38.792 2.392 4.510
4 HA2 GLY 1 HA1 GLY 1 38.895 0.441 2.370
5 HA3 GLY 1 HA2 GLY 1 37.528 0.991 3.328
6 H LEU 2 HN LEU 2 37.320 0.780 0.604
7 HA LEU 2 HA LEU 2 37.758 3.382 -0.629
8 HB2 LEU 2 HB2 LEU 2 36.024 1.246 -1.867
9 HB3 LEU 2 HB1 LEU 2 37.147 2.363 -2.644
10 HG LEU 2 HG LEU 2 37.895 -0.019 -0.923
11 HD11 LEU 2 HD11 LEU 2 38.822 -0.889 -3.052
12 HD12 LEU 2 HD12 LEU 2 38.187 0.525 -3.894
13 HD13 LEU 2 HD13 LEU 2 37.080 -0.634 -3.157
14 HD21 LEU 2 HD21 LEU 2 39.551 1.712 -0.603
15 HD22 LEU 2 HD22 LEU 2 39.554 2.101 -2.322
16 HD23 LEU 2 HD23 LEU 2 40.224 0.569 -1.765
17 H PHE 3 HN PHE 3 35.246 1.604 0.960
18 HA PHE 3 HA PHE 3 33.090 3.363 0.120
19 HB2 PHE 3 HB2 PHE 3 33.222 1.197 2.236
20 HB3 PHE 3 HB1 PHE 3 31.755 2.053 1.759
21 HD1 PHE 3 HD1 PHE 3 30.649 1.597 -0.359
22 HD2 PHE 3 HD2 PHE 3 34.392 -0.308 0.638
23 HE1 PHE 3 HE1 PHE 3 30.356 0.023 -2.267
24 HE2 PHE 3 HE2 PHE 3 34.099 -1.883 -1.271
25 HZ PHE 3 HZ PHE 3 32.122 -1.662 -2.771
26 H ASP 4 HN ASP 4 35.475 3.195 2.567
27 HA ASP 4 HA ASP 4 34.127 4.892 4.488
28 HB2 ASP 4 HB2 ASP 4 37.023 4.039 4.253
29 HB3 ASP 4 HB1 ASP 4 36.332 4.912 5.622
30 H ILE 5 HN ILE 5 35.029 5.602 1.516
31 HA ILE 5 HA ILE 5 35.862 8.367 2.193
32 HB ILE 5 HB ILE 5 36.936 6.840 -0.200
33 HG12 ILE 5 HG12 ILE 5 38.269 7.375 2.479
34 HG13 ILE 5 HG11 ILE 5 37.733 5.798 1.904
35 HG21 ILE 5 HG21 ILE 5 36.815 9.402 -0.176
36 HG22 ILE 5 HG22 ILE 5 38.409 8.708 -0.452
37 HG23 ILE 5 HG23 ILE 5 37.990 9.349 1.137
38 HD11 ILE 5 HD1 ILE 5 39.978 7.515 0.841
39 HD12 ILE 5 HD2 ILE 5 39.260 6.241 -0.145
40 HD13 ILE 5 HD3 ILE 5 40.042 5.839 1.383
41 H VAL 6 HN VAL 6 34.767 6.278 -0.500
42 HA VAL 6 HA VAL 6 33.664 8.279 -2.094
43 HB VAL 6 HB VAL 6 32.706 5.416 -1.756
44 HG11 VAL 6 HG11 VAL 6 32.112 7.540 -3.833
45 HG12 VAL 6 HG12 VAL 6 30.957 6.641 -2.848
46 HG13 VAL 6 HG13 VAL 6 31.849 5.820 -4.127
47 HG21 VAL 6 HG21 VAL 6 34.152 4.907 -3.609
48 HG22 VAL 6 HG22 VAL 6 35.123 5.823 -2.457
49 HG23 VAL 6 HG23 VAL 6 34.487 6.615 -3.898
50 H LYS 7 HN LYS 7 32.596 7.039 0.924
51 HA LYS 7 HA LYS 7 29.816 7.665 0.667
52 HB2 LYS 7 HB2 LYS 7 30.656 6.067 2.347
53 HB3 LYS 7 HB1 LYS 7 31.515 7.377 3.158
54 HG2 LYS 7 HG2 LYS 7 29.456 8.500 3.700
55 HG3 LYS 7 HG1 LYS 7 28.525 7.404 2.679
56 HD2 LYS 7 HD2 LYS 7 29.105 5.518 4.146
57 HD3 LYS 7 HD1 LYS 7 30.073 6.592 5.157
58 HE2 LYS 7 HE2 LYS 7 27.754 6.152 6.046
59 HE3 LYS 7 HE1 LYS 7 28.121 7.860 5.799
60 HZ1 LYS 7 HZ1 LYS 7 25.963 6.584 4.811
61 HZ2 LYS 7 HZ2 LYS 7 27.022 6.551 3.482
62 HZ3 LYS 7 HZ3 LYS 7 26.597 8.032 4.198
63 H LYS 8 HN LYS 8 32.649 9.362 1.940
64 HA LYS 8 HA LYS 8 31.262 11.616 2.960
65 HB2 LYS 8 HB2 LYS 8 33.553 11.096 3.638
66 HB3 LYS 8 HB1 LYS 8 34.117 11.350 1.986
67 HG2 LYS 8 HG2 LYS 8 33.626 13.684 2.065
68 HG3 LYS 8 HG1 LYS 8 32.668 13.511 3.535
69 HD2 LYS 8 HD2 LYS 8 34.922 14.472 3.984
70 HD3 LYS 8 HD1 LYS 8 34.668 12.939 4.818
71 HE2 LYS 8 HE2 LYS 8 36.916 13.253 3.583
72 HE3 LYS 8 HE1 LYS 8 36.042 11.752 3.292
73 HZ1 LYS 8 HZ1 LYS 8 35.587 14.093 1.564
74 HZ2 LYS 8 HZ2 LYS 8 35.362 12.445 1.216
75 HZ3 LYS 8 HZ3 LYS 8 36.930 13.092 1.300
76 H VAL 9 HN VAL 9 32.604 10.829 -0.205
77 HA VAL 9 HA VAL 9 32.472 13.344 -1.416
78 HB VAL 9 HB VAL 9 31.893 10.674 -2.734
79 HG11 VAL 9 HG11 VAL 9 32.843 11.902 -4.735
80 HG12 VAL 9 HG12 VAL 9 32.748 13.385 -3.784
81 HG13 VAL 9 HG13 VAL 9 31.277 12.498 -4.184
82 HG21 VAL 9 HG21 VAL 9 34.271 10.554 -3.175
83 HG22 VAL 9 HG22 VAL 9 34.059 10.802 -1.442
84 HG23 VAL 9 HG23 VAL 9 34.529 12.152 -2.476
85 H VAL 10 HN VAL 10 30.068 10.730 -1.811
86 HA VAL 10 HA VAL 10 28.077 12.466 -2.866
87 HB VAL 10 HB VAL 10 26.528 10.554 -2.528
88 HG11 VAL 10 HG11 VAL 10 28.057 10.664 -4.499
89 HG12 VAL 10 HG12 VAL 10 27.674 9.008 -4.028
90 HG13 VAL 10 HG13 VAL 10 29.236 9.708 -3.602
91 HG21 VAL 10 HG21 VAL 10 27.333 9.689 -0.416
92 HG22 VAL 10 HG22 VAL 10 28.936 9.398 -1.092
93 HG23 VAL 10 HG23 VAL 10 27.564 8.428 -1.628
94 H GLY 11 HN GLY 11 28.984 11.504 0.356
95 HA2 GLY 11 HA1 GLY 11 26.600 12.121 1.717
96 HA3 GLY 11 HA2 GLY 11 28.210 12.110 2.424
97 H ALA 12 HN ALA 12 29.346 14.120 0.754
98 HA ALA 12 HA ALA 12 28.460 16.455 2.168
99 HB1 ALA 12 HB1 ALA 12 30.383 16.219 -0.150
100 HB2 ALA 12 HB2 ALA 12 30.820 16.074 1.552
101 HB3 ALA 12 HB3 ALA 12 30.209 17.605 0.925
102 H PHE 13 HN PHE 13 28.075 15.194 -1.102
103 HA PHE 13 HA PHE 13 27.007 17.481 -2.329
104 HB2 PHE 13 HB2 PHE 13 27.707 15.487 -3.583
105 HB3 PHE 13 HB1 PHE 13 26.376 14.571 -2.877
106 HD1 PHE 13 HD1 PHE 13 24.158 14.712 -3.782
107 HD2 PHE 13 HD2 PHE 13 27.186 17.536 -5.006
108 HE1 PHE 13 HE1 PHE 13 22.641 15.567 -5.563
109 HE2 PHE 13 HE2 PHE 13 25.668 18.391 -6.786
110 HZ PHE 13 HZ PHE 13 23.367 17.459 -7.012
111 H GLY 14 HN GLY 14 25.587 15.114 -0.192
112 HA2 GLY 14 HA1 GLY 14 22.859 15.865 -0.690
113 HA3 GLY 14 HA2 GLY 14 23.444 14.842 0.616
114 H SER 15 HN SER 15 24.472 18.141 -0.123
115 HA SER 15 HA SER 15 22.864 19.356 1.919
116 HB2 SER 15 HB2 SER 15 25.801 18.904 2.489
117 HB3 SER 15 HB1 SER 15 24.749 19.974 3.411
118 HG SER 15 HG SER 15 25.106 17.548 3.971
119 H LEU 16 HN LEU 16 26.085 19.721 0.412
120 HA LEU 16 HA LEU 16 25.823 22.553 0.120
121 HB2 LEU 16 HB2 LEU 16 27.706 20.814 -1.478
122 HB3 LEU 16 HB1 LEU 16 27.935 22.479 -0.943
123 HG LEU 16 HG LEU 16 27.846 20.014 0.823
124 HD11 LEU 16 HD11 LEU 16 30.191 20.584 1.279
125 HD12 LEU 16 HD12 LEU 16 30.074 21.981 0.207
126 HD13 LEU 16 HD13 LEU 16 29.946 20.350 -0.452
127 HD21 LEU 16 HD21 LEU 16 27.974 22.974 1.466
128 HD22 LEU 16 HD22 LEU 16 28.530 21.745 2.602
129 HD23 LEU 16 HD23 LEU 16 26.844 21.773 2.094
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 39.913 0.278 3.552
2 H2 GLY 1 HT2 GLY 1 39.736 1.827 2.878
3 H3 GLY 1 HT3 GLY 1 40.773 0.693 2.152
4 HA2 GLY 1 HA1 GLY 1 38.983 -0.679 1.546
5 HA3 GLY 1 HA2 GLY 1 37.870 0.356 2.434
6 H LEU 2 HN LEU 2 36.599 1.133 0.886
7 HA LEU 2 HA LEU 2 37.624 3.148 -0.869
8 HB2 LEU 2 HB2 LEU 2 37.152 2.157 -2.987
9 HB3 LEU 2 HB1 LEU 2 38.151 1.003 -2.110
10 HG LEU 2 HG LEU 2 35.144 0.886 -2.508
11 HD11 LEU 2 HD11 LEU 2 35.699 -1.235 -3.646
12 HD12 LEU 2 HD12 LEU 2 37.412 -0.944 -3.345
13 HD13 LEU 2 HD13 LEU 2 36.510 0.133 -4.409
14 HD21 LEU 2 HD21 LEU 2 35.454 -1.369 -1.281
15 HD22 LEU 2 HD22 LEU 2 35.472 0.082 -0.287
16 HD23 LEU 2 HD23 LEU 2 36.989 -0.712 -0.709
17 H PHE 3 HN PHE 3 35.294 1.780 0.985
18 HA PHE 3 HA PHE 3 33.020 3.109 -0.374
19 HB2 PHE 3 HB2 PHE 3 33.176 1.083 1.872
20 HB3 PHE 3 HB1 PHE 3 31.683 1.914 1.440
21 HD1 PHE 3 HD1 PHE 3 31.147 1.927 -1.194
22 HD2 PHE 3 HD2 PHE 3 33.600 -0.998 0.827
23 HE1 PHE 3 HE1 PHE 3 30.752 0.311 -3.047
24 HE2 PHE 3 HE2 PHE 3 33.202 -2.610 -1.029
25 HZ PHE 3 HZ PHE 3 31.831 -1.933 -2.996
26 H ASP 4 HN ASP 4 34.823 3.030 2.675
27 HA ASP 4 HA ASP 4 33.263 4.907 4.082
28 HB2 ASP 4 HB2 ASP 4 35.327 5.225 5.463
29 HB3 ASP 4 HB1 ASP 4 34.869 3.534 5.254
30 H ILE 5 HN ILE 5 35.958 5.293 1.834
31 HA ILE 5 HA ILE 5 36.241 8.117 2.265
32 HB ILE 5 HB ILE 5 37.133 6.587 -0.194
33 HG12 ILE 5 HG12 ILE 5 38.463 6.833 2.525
34 HG13 ILE 5 HG11 ILE 5 37.896 5.348 1.766
35 HG21 ILE 5 HG21 ILE 5 38.767 8.320 -0.406
36 HG22 ILE 5 HG22 ILE 5 38.438 8.929 1.216
37 HG23 ILE 5 HG23 ILE 5 37.248 9.146 -0.066
38 HD11 ILE 5 HD1 ILE 5 40.236 7.084 0.968
39 HD12 ILE 5 HD2 ILE 5 39.515 5.941 -0.167
40 HD13 ILE 5 HD3 ILE 5 40.226 5.361 1.338
41 H VAL 6 HN VAL 6 34.746 6.134 -0.294
42 HA VAL 6 HA VAL 6 33.827 8.288 -1.869
43 HB VAL 6 HB VAL 6 32.682 5.489 -1.590
44 HG11 VAL 6 HG11 VAL 6 32.179 7.714 -3.584
45 HG12 VAL 6 HG12 VAL 6 30.993 6.864 -2.596
46 HG13 VAL 6 HG13 VAL 6 31.793 6.028 -3.925
47 HG21 VAL 6 HG21 VAL 6 34.479 6.625 -3.752
48 HG22 VAL 6 HG22 VAL 6 34.045 4.936 -3.489
49 HG23 VAL 6 HG23 VAL 6 35.105 5.763 -2.348
50 H LYS 7 HN LYS 7 32.634 6.861 1.064
51 HA LYS 7 HA LYS 7 29.941 7.722 0.923
52 HB2 LYS 7 HB2 LYS 7 30.747 6.061 2.562
53 HB3 LYS 7 HB1 LYS 7 31.677 7.322 3.373
54 HG2 LYS 7 HG2 LYS 7 29.683 8.521 3.975
55 HG3 LYS 7 HG1 LYS 7 28.683 7.494 2.947
56 HD2 LYS 7 HD2 LYS 7 29.120 5.565 4.363
57 HD3 LYS 7 HD1 LYS 7 30.254 6.497 5.341
58 HE2 LYS 7 HE2 LYS 7 27.320 7.186 5.022
59 HE3 LYS 7 HE1 LYS 7 27.984 6.290 6.388
60 HZ1 LYS 7 HZ1 LYS 7 29.613 8.414 6.282
61 HZ2 LYS 7 HZ2 LYS 7 28.235 8.317 7.270
62 HZ3 LYS 7 HZ3 LYS 7 28.153 9.109 5.769
63 H LYS 8 HN LYS 8 32.907 9.284 2.019
64 HA LYS 8 HA LYS 8 31.693 11.575 3.176
65 HB2 LYS 8 HB2 LYS 8 34.055 10.856 3.568
66 HB3 LYS 8 HB1 LYS 8 34.440 11.361 1.923
67 HG2 LYS 8 HG2 LYS 8 33.814 13.652 2.416
68 HG3 LYS 8 HG1 LYS 8 33.231 13.190 4.016
69 HD2 LYS 8 HD2 LYS 8 35.483 12.552 4.699
70 HD3 LYS 8 HD1 LYS 8 36.097 12.876 3.078
71 HE2 LYS 8 HE2 LYS 8 35.509 15.244 3.300
72 HE3 LYS 8 HE1 LYS 8 34.817 14.942 4.893
73 HZ1 LYS 8 HZ1 LYS 8 37.525 15.372 4.174
74 HZ2 LYS 8 HZ2 LYS 8 37.357 13.871 4.952
75 HZ3 LYS 8 HZ3 LYS 8 36.828 15.292 5.719
76 H VAL 9 HN VAL 9 33.062 10.950 -0.047
77 HA VAL 9 HA VAL 9 32.752 13.456 -1.189
78 HB VAL 9 HB VAL 9 32.252 10.807 -2.580
79 HG11 VAL 9 HG11 VAL 9 31.562 12.666 -3.958
80 HG12 VAL 9 HG12 VAL 9 33.128 12.119 -4.555
81 HG13 VAL 9 HG13 VAL 9 33.022 13.570 -3.558
82 HG21 VAL 9 HG21 VAL 9 34.669 10.925 -3.137
83 HG22 VAL 9 HG22 VAL 9 34.410 10.811 -1.396
84 HG23 VAL 9 HG23 VAL 9 34.821 12.363 -2.126
85 H VAL 10 HN VAL 10 30.436 10.751 -1.485
86 HA VAL 10 HA VAL 10 28.360 12.256 -2.631
87 HB VAL 10 HB VAL 10 28.047 9.814 -0.862
88 HG11 VAL 10 HG11 VAL 10 25.927 10.885 -1.318
89 HG12 VAL 10 HG12 VAL 10 26.045 9.466 -2.357
90 HG13 VAL 10 HG13 VAL 10 26.334 11.073 -3.023
91 HG21 VAL 10 HG21 VAL 10 29.674 9.347 -2.619
92 HG22 VAL 10 HG22 VAL 10 28.614 10.067 -3.833
93 HG23 VAL 10 HG23 VAL 10 28.147 8.566 -3.032
94 H GLY 11 HN GLY 11 29.277 11.711 0.718
95 HA2 GLY 11 HA1 GLY 11 27.012 12.507 2.072
96 HA3 GLY 11 HA2 GLY 11 28.651 12.786 2.644
97 H ALA 12 HN ALA 12 29.289 14.472 0.296
98 HA ALA 12 HA ALA 12 28.537 16.983 1.410
99 HB1 ALA 12 HB1 ALA 12 29.778 17.956 -0.385
100 HB2 ALA 12 HB2 ALA 12 29.655 16.482 -1.346
101 HB3 ALA 12 HB3 ALA 12 30.641 16.502 0.116
102 H PHE 13 HN PHE 13 27.560 15.249 -1.543
103 HA PHE 13 HA PHE 13 25.618 17.261 -2.275
104 HB2 PHE 13 HB2 PHE 13 26.102 14.460 -3.321
105 HB3 PHE 13 HB1 PHE 13 24.991 15.629 -4.037
106 HD1 PHE 13 HD1 PHE 13 28.501 14.663 -3.608
107 HD2 PHE 13 HD2 PHE 13 25.847 17.761 -5.019
108 HE1 PHE 13 HE1 PHE 13 30.386 15.709 -4.858
109 HE2 PHE 13 HE2 PHE 13 27.731 18.806 -6.269
110 HZ PHE 13 HZ PHE 13 30.018 17.828 -6.116
111 H GLY 14 HN GLY 14 25.603 15.302 0.254
112 HA2 GLY 14 HA1 GLY 14 23.142 13.904 0.075
113 HA3 GLY 14 HA2 GLY 14 24.009 14.287 1.555
114 H SER 15 HN SER 15 23.564 17.115 -0.113
115 HA SER 15 HA SER 15 20.837 17.691 0.565
116 HB2 SER 15 HB2 SER 15 22.989 18.951 2.280
117 HB3 SER 15 HB1 SER 15 21.266 19.317 2.336
118 HG SER 15 HG SER 15 20.902 17.479 3.342
119 H LEU 16 HN LEU 16 20.797 18.430 -1.574
120 HA LEU 16 HA LEU 16 21.426 21.178 -1.925
121 HB2 LEU 16 HB2 LEU 16 23.697 20.465 -2.241
122 HB3 LEU 16 HB1 LEU 16 23.202 19.152 -3.303
123 HG LEU 16 HG LEU 16 22.552 20.694 -5.042
124 HD11 LEU 16 HD11 LEU 16 22.940 23.210 -4.615
125 HD12 LEU 16 HD12 LEU 16 22.947 22.796 -2.901
126 HD13 LEU 16 HD13 LEU 16 21.511 22.488 -3.878
127 HD21 LEU 16 HD21 LEU 16 24.961 20.207 -4.873
128 HD22 LEU 16 HD22 LEU 16 25.169 21.581 -3.788
129 HD23 LEU 16 HD23 LEU 16 24.699 21.847 -5.466
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 38.865 -1.046 2.875
2 H2 GLY 1 HT2 GLY 1 38.498 -0.266 1.410
3 H3 GLY 1 HT3 GLY 1 37.256 -0.949 2.350
4 HA2 GLY 1 HA1 GLY 1 37.224 0.702 3.817
5 HA3 GLY 1 HA2 GLY 1 38.936 1.035 3.601
6 H LEU 2 HN LEU 2 38.313 0.887 0.576
7 HA LEU 2 HA LEU 2 38.213 3.650 0.116
8 HB2 LEU 2 HB2 LEU 2 38.138 3.140 -2.197
9 HB3 LEU 2 HB1 LEU 2 39.060 1.836 -1.461
10 HG LEU 2 HG LEU 2 36.147 1.741 -2.322
11 HD11 LEU 2 HD11 LEU 2 36.956 0.034 -3.877
12 HD12 LEU 2 HD12 LEU 2 38.590 0.196 -3.236
13 HD13 LEU 2 HD13 LEU 2 37.851 1.535 -4.113
14 HD21 LEU 2 HD21 LEU 2 37.848 -0.229 -0.765
15 HD22 LEU 2 HD22 LEU 2 36.400 -0.719 -1.643
16 HD23 LEU 2 HD23 LEU 2 36.276 0.429 -0.314
17 H PHE 3 HN PHE 3 35.768 1.751 1.256
18 HA PHE 3 HA PHE 3 33.568 3.018 -0.188
19 HB2 PHE 3 HB2 PHE 3 33.399 0.659 0.539
20 HB3 PHE 3 HB1 PHE 3 33.536 1.177 2.219
21 HD1 PHE 3 HD1 PHE 3 31.383 1.148 -0.785
22 HD2 PHE 3 HD2 PHE 3 31.718 2.389 3.334
23 HE1 PHE 3 HE1 PHE 3 28.935 1.605 -0.724
24 HE2 PHE 3 HE2 PHE 3 29.270 2.847 3.396
25 HZ PHE 3 HZ PHE 3 27.895 2.535 1.341
26 H ASP 4 HN ASP 4 35.348 3.382 2.779
27 HA ASP 4 HA ASP 4 33.448 4.986 4.173
28 HB2 ASP 4 HB2 ASP 4 36.450 4.708 4.439
29 HB3 ASP 4 HB1 ASP 4 35.454 5.670 5.534
30 H ILE 5 HN ILE 5 36.054 5.666 1.903
31 HA ILE 5 HA ILE 5 35.932 8.520 2.214
32 HB ILE 5 HB ILE 5 37.053 7.025 -0.174
33 HG12 ILE 5 HG12 ILE 5 38.329 7.587 2.525
34 HG13 ILE 5 HG11 ILE 5 37.966 6.000 1.850
35 HG21 ILE 5 HG21 ILE 5 36.799 9.579 -0.153
36 HG22 ILE 5 HG22 ILE 5 38.417 8.962 -0.468
37 HG23 ILE 5 HG23 ILE 5 38.008 9.587 1.130
38 HD11 ILE 5 HD1 ILE 5 39.486 6.704 -0.128
39 HD12 ILE 5 HD2 ILE 5 40.273 6.306 1.400
40 HD13 ILE 5 HD3 ILE 5 40.047 7.992 0.940
41 H VAL 6 HN VAL 6 34.926 6.294 -0.397
42 HA VAL 6 HA VAL 6 33.686 8.136 -2.061
43 HB VAL 6 HB VAL 6 32.892 5.256 -1.518
44 HG11 VAL 6 HG11 VAL 6 31.891 5.471 -3.863
45 HG12 VAL 6 HG12 VAL 6 32.043 7.216 -3.665
46 HG13 VAL 6 HG13 VAL 6 31.009 6.292 -2.576
47 HG21 VAL 6 HG21 VAL 6 35.240 5.787 -2.385
48 HG22 VAL 6 HG22 VAL 6 34.464 6.417 -3.836
49 HG23 VAL 6 HG23 VAL 6 34.276 4.718 -3.403
50 H LYS 7 HN LYS 7 32.674 6.917 1.016
51 HA LYS 7 HA LYS 7 29.891 7.533 0.766
52 HB2 LYS 7 HB2 LYS 7 30.891 5.941 2.447
53 HB3 LYS 7 HB1 LYS 7 31.510 7.347 3.314
54 HG2 LYS 7 HG2 LYS 7 29.226 8.220 3.564
55 HG3 LYS 7 HG1 LYS 7 28.591 6.841 2.667
56 HD2 LYS 7 HD2 LYS 7 29.651 5.344 4.421
57 HD3 LYS 7 HD1 LYS 7 29.976 6.802 5.359
58 HE2 LYS 7 HE2 LYS 7 27.872 5.802 6.104
59 HE3 LYS 7 HE1 LYS 7 27.546 7.343 5.308
60 HZ1 LYS 7 HZ1 LYS 7 26.064 5.511 4.602
61 HZ2 LYS 7 HZ2 LYS 7 27.411 4.706 3.951
62 HZ3 LYS 7 HZ3 LYS 7 26.929 6.209 3.321
63 H LYS 8 HN LYS 8 32.734 9.269 1.936
64 HA LYS 8 HA LYS 8 31.317 11.499 3.005
65 HB2 LYS 8 HB2 LYS 8 34.181 11.188 2.079
66 HB3 LYS 8 HB1 LYS 8 33.557 12.623 2.894
67 HG2 LYS 8 HG2 LYS 8 32.888 11.231 4.826
68 HG3 LYS 8 HG1 LYS 8 33.538 9.805 4.016
69 HD2 LYS 8 HD2 LYS 8 35.771 10.958 3.925
70 HD3 LYS 8 HD1 LYS 8 35.087 12.249 4.913
71 HE2 LYS 8 HE2 LYS 8 36.219 10.698 6.389
72 HE3 LYS 8 HE1 LYS 8 34.482 10.519 6.634
73 HZ1 LYS 8 HZ1 LYS 8 34.733 8.383 6.165
74 HZ2 LYS 8 HZ2 LYS 8 36.365 8.600 5.740
75 HZ3 LYS 8 HZ3 LYS 8 35.146 8.807 4.574
76 H VAL 9 HN VAL 9 32.534 10.664 -0.174
77 HA VAL 9 HA VAL 9 32.417 13.223 -1.361
78 HB VAL 9 HB VAL 9 31.932 10.558 -2.724
79 HG11 VAL 9 HG11 VAL 9 32.814 13.286 -3.707
80 HG12 VAL 9 HG12 VAL 9 31.342 12.421 -4.149
81 HG13 VAL 9 HG13 VAL 9 32.912 11.817 -4.678
82 HG21 VAL 9 HG21 VAL 9 34.346 10.532 -3.130
83 HG22 VAL 9 HG22 VAL 9 34.046 10.617 -1.395
84 HG23 VAL 9 HG23 VAL 9 34.530 12.065 -2.279
85 H VAL 10 HN VAL 10 30.079 10.533 -1.626
86 HA VAL 10 HA VAL 10 28.062 12.078 -2.871
87 HB VAL 10 HB VAL 10 26.533 10.219 -2.244
88 HG11 VAL 10 HG11 VAL 10 29.229 9.199 -3.178
89 HG12 VAL 10 HG12 VAL 10 28.112 10.090 -4.209
90 HG13 VAL 10 HG13 VAL 10 27.646 8.519 -3.554
91 HG21 VAL 10 HG21 VAL 10 27.357 9.675 -0.039
92 HG22 VAL 10 HG22 VAL 10 28.963 9.315 -0.671
93 HG23 VAL 10 HG23 VAL 10 27.606 8.257 -1.056
94 H GLY 11 HN GLY 11 28.944 11.570 0.470
95 HA2 GLY 11 HA1 GLY 11 26.530 12.430 1.669
96 HA3 GLY 11 HA2 GLY 11 28.113 12.409 2.435
97 H ALA 12 HN ALA 12 29.502 14.167 0.795
98 HA ALA 12 HA ALA 12 28.926 16.646 1.906
99 HB1 ALA 12 HB1 ALA 12 31.078 16.115 0.883
100 HB2 ALA 12 HB2 ALA 12 30.401 17.580 0.170
101 HB3 ALA 12 HB3 ALA 12 30.320 16.053 -0.709
102 H PHE 13 HN PHE 13 27.938 15.321 -1.235
103 HA PHE 13 HA PHE 13 26.656 17.601 -2.240
104 HB2 PHE 13 HB2 PHE 13 27.166 15.581 -3.580
105 HB3 PHE 13 HB1 PHE 13 25.901 14.716 -2.708
106 HD1 PHE 13 HD1 PHE 13 26.573 17.597 -4.980
107 HD2 PHE 13 HD2 PHE 13 23.572 15.025 -3.244
108 HE1 PHE 13 HE1 PHE 13 24.869 18.532 -6.540
109 HE2 PHE 13 HE2 PHE 13 21.869 15.959 -4.806
110 HZ PHE 13 HZ PHE 13 22.503 17.762 -6.405
111 H GLY 14 HN GLY 14 24.937 14.762 -1.149
112 HA2 GLY 14 HA1 GLY 14 23.108 14.500 0.233
113 HA3 GLY 14 HA2 GLY 14 23.309 16.171 0.745
114 H SER 15 HN SER 15 22.708 17.818 -1.012
115 HA SER 15 HA SER 15 20.785 17.044 -2.986
116 HB2 SER 15 HB2 SER 15 18.838 18.182 -1.912
117 HB3 SER 15 HB1 SER 15 19.338 16.713 -1.079
118 HG SER 15 HG SER 15 20.297 17.930 0.484
119 H LEU 16 HN LEU 16 22.894 19.188 -1.548
120 HA LEU 16 HA LEU 16 21.871 21.674 -2.522
121 HB2 LEU 16 HB2 LEU 16 24.785 21.077 -1.991
122 HB3 LEU 16 HB1 LEU 16 23.934 22.614 -1.832
123 HG LEU 16 HG LEU 16 23.561 20.153 -0.100
124 HD11 LEU 16 HD11 LEU 16 24.621 22.935 0.486
125 HD12 LEU 16 HD12 LEU 16 25.585 21.462 0.390
126 HD13 LEU 16 HD13 LEU 16 24.400 21.656 1.681
127 HD21 LEU 16 HD21 LEU 16 21.395 21.142 -0.278
128 HD22 LEU 16 HD22 LEU 16 22.052 22.779 -0.244
129 HD23 LEU 16 HD23 LEU 16 22.063 21.791 1.217
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 39.856 -0.277 2.571
2 H2 GLY 1 HT2 GLY 1 41.270 0.596 2.213
3 H3 GLY 1 HT3 GLY 1 40.276 0.027 0.957
4 HA2 GLY 1 HA1 GLY 1 38.648 1.507 2.562
5 HA3 GLY 1 HA2 GLY 1 40.143 2.421 2.409
6 H LEU 2 HN LEU 2 37.187 1.869 1.061
7 HA LEU 2 HA LEU 2 37.769 3.458 -1.249
8 HB2 LEU 2 HB2 LEU 2 36.852 1.610 -2.844
9 HB3 LEU 2 HB1 LEU 2 38.540 1.532 -2.356
10 HG LEU 2 HG LEU 2 37.927 -0.081 -0.559
11 HD11 LEU 2 HD11 LEU 2 35.663 0.328 -0.034
12 HD12 LEU 2 HD12 LEU 2 35.578 -1.174 -0.946
13 HD13 LEU 2 HD13 LEU 2 35.172 0.355 -1.727
14 HD21 LEU 2 HD21 LEU 2 36.980 -0.891 -3.325
15 HD22 LEU 2 HD22 LEU 2 37.566 -1.975 -2.064
16 HD23 LEU 2 HD23 LEU 2 38.668 -0.823 -2.817
17 H PHE 3 HN PHE 3 35.832 2.361 1.124
18 HA PHE 3 HA PHE 3 33.307 3.147 -0.247
19 HB2 PHE 3 HB2 PHE 3 33.331 0.820 0.615
20 HB3 PHE 3 HB1 PHE 3 33.665 1.442 2.231
21 HD1 PHE 3 HD1 PHE 3 31.141 1.119 -0.438
22 HD2 PHE 3 HD2 PHE 3 31.971 2.727 3.482
23 HE1 PHE 3 HE1 PHE 3 28.706 1.516 -0.084
24 HE2 PHE 3 HE2 PHE 3 29.537 3.122 3.834
25 HZ PHE 3 HZ PHE 3 27.905 2.527 2.048
26 H ASP 4 HN ASP 4 35.126 3.335 2.807
27 HA ASP 4 HA ASP 4 33.453 5.169 4.121
28 HB2 ASP 4 HB2 ASP 4 35.286 3.894 5.217
29 HB3 ASP 4 HB1 ASP 4 36.459 4.908 4.376
30 H ILE 5 HN ILE 5 36.015 5.604 1.757
31 HA ILE 5 HA ILE 5 36.187 8.450 2.024
32 HB ILE 5 HB ILE 5 36.942 6.844 -0.435
33 HG12 ILE 5 HG12 ILE 5 38.535 7.294 2.114
34 HG13 ILE 5 HG11 ILE 5 37.898 5.748 1.555
35 HG21 ILE 5 HG21 ILE 5 38.470 8.627 -0.862
36 HG22 ILE 5 HG22 ILE 5 38.267 9.292 0.759
37 HG23 ILE 5 HG23 ILE 5 36.955 9.411 -0.413
38 HD11 ILE 5 HD1 ILE 5 39.264 6.176 -0.604
39 HD12 ILE 5 HD2 ILE 5 40.159 5.731 0.849
40 HD13 ILE 5 HD3 ILE 5 40.102 7.414 0.334
41 H VAL 6 HN VAL 6 34.733 6.320 -0.444
42 HA VAL 6 HA VAL 6 33.524 8.304 -1.995
43 HB VAL 6 HB VAL 6 32.487 5.504 -1.450
44 HG11 VAL 6 HG11 VAL 6 30.754 6.801 -2.489
45 HG12 VAL 6 HG12 VAL 6 31.495 5.841 -3.768
46 HG13 VAL 6 HG13 VAL 6 31.898 7.550 -3.604
47 HG21 VAL 6 HG21 VAL 6 34.208 6.499 -3.739
48 HG22 VAL 6 HG22 VAL 6 33.774 4.829 -3.376
49 HG23 VAL 6 HG23 VAL 6 34.868 5.708 -2.309
50 H LYS 7 HN LYS 7 32.505 6.783 0.998
51 HA LYS 7 HA LYS 7 29.822 7.584 1.062
52 HB2 LYS 7 HB2 LYS 7 30.856 5.994 2.664
53 HB3 LYS 7 HB1 LYS 7 31.729 7.337 3.402
54 HG2 LYS 7 HG2 LYS 7 29.657 8.410 4.053
55 HG3 LYS 7 HG1 LYS 7 28.711 7.218 3.162
56 HD2 LYS 7 HD2 LYS 7 29.615 5.434 4.646
57 HD3 LYS 7 HD1 LYS 7 30.469 6.669 5.571
58 HE2 LYS 7 HE2 LYS 7 28.369 7.731 6.188
59 HE3 LYS 7 HE1 LYS 7 27.466 6.625 5.151
60 HZ1 LYS 7 HZ1 LYS 7 29.152 5.224 6.969
61 HZ2 LYS 7 HZ2 LYS 7 27.477 5.081 6.722
62 HZ3 LYS 7 HZ3 LYS 7 28.083 6.251 7.795
63 H LYS 8 HN LYS 8 32.780 9.317 1.894
64 HA LYS 8 HA LYS 8 31.484 11.568 3.079
65 HB2 LYS 8 HB2 LYS 8 34.240 11.301 1.854
66 HB3 LYS 8 HB1 LYS 8 33.682 12.673 2.812
67 HG2 LYS 8 HG2 LYS 8 33.407 11.307 4.769
68 HG3 LYS 8 HG1 LYS 8 33.637 9.826 3.840
69 HD2 LYS 8 HD2 LYS 8 35.674 10.449 5.119
70 HD3 LYS 8 HD1 LYS 8 35.961 10.430 3.381
71 HE2 LYS 8 HE2 LYS 8 36.854 12.460 4.741
72 HE3 LYS 8 HE1 LYS 8 35.995 12.789 3.237
73 HZ1 LYS 8 HZ1 LYS 8 35.370 14.014 5.445
74 HZ2 LYS 8 HZ2 LYS 8 34.448 12.614 5.720
75 HZ3 LYS 8 HZ3 LYS 8 34.170 13.559 4.336
76 H VAL 9 HN VAL 9 32.466 10.727 -0.193
77 HA VAL 9 HA VAL 9 32.161 13.283 -1.363
78 HB VAL 9 HB VAL 9 31.735 10.583 -2.680
79 HG11 VAL 9 HG11 VAL 9 30.897 12.360 -4.077
80 HG12 VAL 9 HG12 VAL 9 32.476 11.901 -4.713
81 HG13 VAL 9 HG13 VAL 9 32.309 13.363 -3.741
82 HG21 VAL 9 HG21 VAL 9 34.252 12.271 -2.549
83 HG22 VAL 9 HG22 VAL 9 34.088 10.657 -3.240
84 HG23 VAL 9 HG23 VAL 9 33.951 10.889 -1.496
85 H VAL 10 HN VAL 10 29.953 10.481 -1.578
86 HA VAL 10 HA VAL 10 27.785 11.868 -2.676
87 HB VAL 10 HB VAL 10 27.631 9.472 -0.822
88 HG11 VAL 10 HG11 VAL 10 25.453 10.445 -1.198
89 HG12 VAL 10 HG12 VAL 10 25.577 9.015 -2.221
90 HG13 VAL 10 HG13 VAL 10 25.773 10.620 -2.924
91 HG21 VAL 10 HG21 VAL 10 27.804 8.116 -2.845
92 HG22 VAL 10 HG22 VAL 10 29.212 9.173 -2.745
93 HG23 VAL 10 HG23 VAL 10 27.891 9.566 -3.846
94 H GLY 11 HN GLY 11 28.778 11.420 0.675
95 HA2 GLY 11 HA1 GLY 11 26.433 12.399 1.903
96 HA3 GLY 11 HA2 GLY 11 28.031 12.340 2.635
97 H ALA 12 HN ALA 12 29.440 14.016 0.931
98 HA ALA 12 HA ALA 12 28.734 16.569 1.958
99 HB1 ALA 12 HB1 ALA 12 30.637 15.833 -0.271
100 HB2 ALA 12 HB2 ALA 12 31.045 15.963 1.441
101 HB3 ALA 12 HB3 ALA 12 30.560 17.399 0.537
102 H PHE 13 HN PHE 13 27.156 14.861 -0.295
103 HA PHE 13 HA PHE 13 25.696 15.361 -1.998
104 HB2 PHE 13 HB2 PHE 13 25.745 18.186 -0.927
105 HB3 PHE 13 HB1 PHE 13 24.427 17.359 -1.759
106 HD1 PHE 13 HD1 PHE 13 26.082 17.925 1.444
107 HD2 PHE 13 HD2 PHE 13 23.246 15.428 -0.643
108 HE1 PHE 13 HE1 PHE 13 25.212 17.091 3.624
109 HE2 PHE 13 HE2 PHE 13 22.377 14.595 1.538
110 HZ PHE 13 HZ PHE 13 23.418 15.363 3.667
111 H GLY 14 HN GLY 14 28.723 16.052 -2.161
112 HA2 GLY 14 HA1 GLY 14 29.058 18.218 -3.916
113 HA3 GLY 14 HA2 GLY 14 30.159 16.857 -3.753
114 H SER 15 HN SER 15 28.028 14.929 -4.470
115 HA SER 15 HA SER 15 28.459 14.939 -7.303
116 HB2 SER 15 HB2 SER 15 26.637 13.212 -5.612
117 HB3 SER 15 HB1 SER 15 27.074 12.905 -7.291
118 HG SER 15 HG SER 15 28.369 12.141 -5.163
119 H LEU 16 HN LEU 16 25.685 15.584 -5.194
120 HA LEU 16 HA LEU 16 23.844 16.005 -7.360
121 HB2 LEU 16 HB2 LEU 16 23.507 17.068 -4.554
122 HB3 LEU 16 HB1 LEU 16 22.261 16.557 -5.692
123 HG LEU 16 HG LEU 16 24.280 14.769 -4.302
124 HD11 LEU 16 HD11 LEU 16 22.365 13.863 -3.144
125 HD12 LEU 16 HD12 LEU 16 21.255 14.817 -4.130
126 HD13 LEU 16 HD13 LEU 16 22.313 15.618 -2.968
127 HD21 LEU 16 HD21 LEU 16 22.848 12.943 -5.413
128 HD22 LEU 16 HD22 LEU 16 23.945 13.825 -6.472
129 HD23 LEU 16 HD23 LEU 16 22.225 14.218 -6.462
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 40.103 2.206 3.943
2 H2 GLY 1 HT2 GLY 1 39.817 1.710 2.344
3 H3 GLY 1 HT3 GLY 1 39.570 0.629 3.630
4 HA2 GLY 1 HA1 GLY 1 37.497 1.217 3.675
5 HA3 GLY 1 HA2 GLY 1 38.048 2.790 4.236
6 H LEU 2 HN LEU 2 38.439 1.214 1.082
7 HA LEU 2 HA LEU 2 38.137 3.380 -0.552
8 HB2 LEU 2 HB2 LEU 2 38.730 1.220 -1.445
9 HB3 LEU 2 HB1 LEU 2 37.182 0.536 -0.961
10 HG LEU 2 HG LEU 2 36.006 1.944 -2.577
11 HD11 LEU 2 HD11 LEU 2 38.762 3.134 -2.988
12 HD12 LEU 2 HD12 LEU 2 37.251 3.974 -2.641
13 HD13 LEU 2 HD13 LEU 2 37.514 3.259 -4.228
14 HD21 LEU 2 HD21 LEU 2 37.057 -0.236 -3.282
15 HD22 LEU 2 HD22 LEU 2 38.426 0.687 -3.900
16 HD23 LEU 2 HD23 LEU 2 36.825 0.909 -4.603
17 H PHE 3 HN PHE 3 35.571 1.527 1.004
18 HA PHE 3 HA PHE 3 33.443 3.007 -0.309
19 HB2 PHE 3 HB2 PHE 3 33.445 0.985 1.945
20 HB3 PHE 3 HB1 PHE 3 31.986 1.713 1.273
21 HD1 PHE 3 HD1 PHE 3 31.111 1.036 -0.879
22 HD2 PHE 3 HD2 PHE 3 34.921 -0.445 0.509
23 HE1 PHE 3 HE1 PHE 3 31.135 -0.636 -2.726
24 HE2 PHE 3 HE2 PHE 3 34.943 -2.117 -1.339
25 HZ PHE 3 HZ PHE 3 33.058 -2.201 -2.967
26 H ASP 4 HN ASP 4 35.309 3.120 2.604
27 HA ASP 4 HA ASP 4 33.572 4.767 4.149
28 HB2 ASP 4 HB2 ASP 4 35.531 3.438 5.034
29 HB3 ASP 4 HB1 ASP 4 36.589 4.662 4.330
30 H ILE 5 HN ILE 5 36.157 5.445 1.837
31 HA ILE 5 HA ILE 5 36.132 8.287 2.269
32 HB ILE 5 HB ILE 5 37.192 6.812 -0.162
33 HG12 ILE 5 HG12 ILE 5 38.529 7.402 2.501
34 HG13 ILE 5 HG11 ILE 5 38.114 5.807 1.881
35 HG21 ILE 5 HG21 ILE 5 38.165 9.380 1.122
36 HG22 ILE 5 HG22 ILE 5 36.968 9.365 -0.170
37 HG23 ILE 5 HG23 ILE 5 38.585 8.738 -0.464
38 HD11 ILE 5 HD1 ILE 5 39.597 6.437 -0.161
39 HD12 ILE 5 HD2 ILE 5 40.408 6.029 1.351
40 HD13 ILE 5 HD3 ILE 5 40.226 7.716 0.880
41 H VAL 6 HN VAL 6 34.983 6.196 -0.393
42 HA VAL 6 HA VAL 6 33.787 8.197 -1.935
43 HB VAL 6 HB VAL 6 32.949 5.295 -1.636
44 HG11 VAL 6 HG11 VAL 6 31.131 6.469 -2.669
45 HG12 VAL 6 HG12 VAL 6 32.029 5.714 -3.984
46 HG13 VAL 6 HG13 VAL 6 32.229 7.435 -3.655
47 HG21 VAL 6 HG21 VAL 6 34.378 4.876 -3.524
48 HG22 VAL 6 HG22 VAL 6 35.334 5.813 -2.377
49 HG23 VAL 6 HG23 VAL 6 34.637 6.600 -3.791
50 H LYS 7 HN LYS 7 32.823 6.873 1.087
51 HA LYS 7 HA LYS 7 30.012 7.406 0.866
52 HB2 LYS 7 HB2 LYS 7 30.871 5.778 2.484
53 HB3 LYS 7 HB1 LYS 7 31.758 7.057 3.314
54 HG2 LYS 7 HG2 LYS 7 29.738 8.147 3.996
55 HG3 LYS 7 HG1 LYS 7 28.758 7.156 2.916
56 HD2 LYS 7 HD2 LYS 7 28.507 6.319 5.187
57 HD3 LYS 7 HD1 LYS 7 29.412 5.138 4.242
58 HE2 LYS 7 HE2 LYS 7 31.474 5.743 5.255
59 HE3 LYS 7 HE1 LYS 7 30.813 7.245 5.900
60 HZ1 LYS 7 HZ1 LYS 7 29.214 5.687 7.143
61 HZ2 LYS 7 HZ2 LYS 7 30.805 5.847 7.716
62 HZ3 LYS 7 HZ3 LYS 7 30.360 4.481 6.811
63 H LYS 8 HN LYS 8 32.818 9.197 2.036
64 HA LYS 8 HA LYS 8 31.332 11.345 3.190
65 HB2 LYS 8 HB2 LYS 8 33.739 10.745 3.706
66 HB3 LYS 8 HB1 LYS 8 34.170 11.463 2.154
67 HG2 LYS 8 HG2 LYS 8 33.139 13.598 2.861
68 HG3 LYS 8 HG1 LYS 8 32.738 12.881 4.422
69 HD2 LYS 8 HD2 LYS 8 35.130 12.488 4.865
70 HD3 LYS 8 HD1 LYS 8 35.540 13.192 3.301
71 HE2 LYS 8 HE2 LYS 8 34.446 15.321 4.020
72 HE3 LYS 8 HE1 LYS 8 34.181 14.608 5.612
73 HZ1 LYS 8 HZ1 LYS 8 36.367 14.718 6.131
74 HZ2 LYS 8 HZ2 LYS 8 36.324 16.019 5.039
75 HZ3 LYS 8 HZ3 LYS 8 36.890 14.499 4.533
76 H VAL 9 HN VAL 9 32.719 10.730 0.005
77 HA VAL 9 HA VAL 9 32.485 13.279 -1.114
78 HB VAL 9 HB VAL 9 32.005 10.654 -2.553
79 HG11 VAL 9 HG11 VAL 9 32.952 11.981 -4.479
80 HG12 VAL 9 HG12 VAL 9 32.854 13.418 -3.460
81 HG13 VAL 9 HG13 VAL 9 31.385 12.556 -3.912
82 HG21 VAL 9 HG21 VAL 9 34.602 12.165 -2.133
83 HG22 VAL 9 HG22 VAL 9 34.403 10.624 -2.969
84 HG23 VAL 9 HG23 VAL 9 34.139 10.724 -1.227
85 H VAL 10 HN VAL 10 30.190 10.580 -1.583
86 HA VAL 10 HA VAL 10 28.142 12.095 -2.732
87 HB VAL 10 HB VAL 10 26.616 10.249 -1.982
88 HG11 VAL 10 HG11 VAL 10 29.282 9.448 -3.186
89 HG12 VAL 10 HG12 VAL 10 27.861 10.010 -4.065
90 HG13 VAL 10 HG13 VAL 10 27.826 8.456 -3.234
91 HG21 VAL 10 HG21 VAL 10 27.630 9.750 0.177
92 HG22 VAL 10 HG22 VAL 10 29.152 9.314 -0.600
93 HG23 VAL 10 HG23 VAL 10 27.721 8.309 -0.835
94 H GLY 11 HN GLY 11 29.250 11.997 0.505
95 HA2 GLY 11 HA1 GLY 11 26.819 12.718 1.814
96 HA3 GLY 11 HA2 GLY 11 28.441 12.851 2.478
97 H ALA 12 HN ALA 12 29.341 14.498 0.183
98 HA ALA 12 HA ALA 12 28.910 17.047 1.281
99 HB1 ALA 12 HB1 ALA 12 29.995 17.898 -0.717
100 HB2 ALA 12 HB2 ALA 12 29.724 16.367 -1.548
101 HB3 ALA 12 HB3 ALA 12 30.822 16.441 -0.169
102 H PHE 13 HN PHE 13 26.800 15.119 -0.461
103 HA PHE 13 HA PHE 13 24.778 15.487 -1.484
104 HB2 PHE 13 HB2 PHE 13 24.397 16.610 0.733
105 HB3 PHE 13 HB1 PHE 13 24.850 18.137 -0.025
106 HD1 PHE 13 HD1 PHE 13 23.221 19.406 -1.213
107 HD2 PHE 13 HD2 PHE 13 22.500 15.231 -0.383
108 HE1 PHE 13 HE1 PHE 13 20.902 19.629 -2.099
109 HE2 PHE 13 HE2 PHE 13 20.184 15.455 -1.270
110 HZ PHE 13 HZ PHE 13 19.417 17.633 -2.209
111 H GLY 14 HN GLY 14 27.316 16.496 -2.729
112 HA2 GLY 14 HA1 GLY 14 26.707 18.918 -4.110
113 HA3 GLY 14 HA2 GLY 14 28.002 17.795 -4.498
114 H SER 15 HN SER 15 24.460 18.091 -4.693
115 HA SER 15 HA SER 15 22.960 17.357 -6.276
116 HB2 SER 15 HB2 SER 15 25.275 17.731 -8.184
117 HB3 SER 15 HB1 SER 15 23.557 17.784 -8.569
118 HG SER 15 HG SER 15 24.409 19.876 -8.309
119 H LEU 16 HN LEU 16 23.130 15.215 -5.213
120 HA LEU 16 HA LEU 16 24.788 13.141 -5.995
121 HB2 LEU 16 HB2 LEU 16 23.317 12.857 -4.118
122 HB3 LEU 16 HB1 LEU 16 21.892 13.120 -5.116
123 HG LEU 16 HG LEU 16 22.211 11.021 -6.266
124 HD11 LEU 16 HD11 LEU 16 24.885 11.004 -4.845
125 HD12 LEU 16 HD12 LEU 16 24.565 10.871 -6.575
126 HD13 LEU 16 HD13 LEU 16 24.175 9.529 -5.503
127 HD21 LEU 16 HD21 LEU 16 21.160 10.922 -4.023
128 HD22 LEU 16 HD22 LEU 16 22.744 10.637 -3.303
129 HD23 LEU 16 HD23 LEU 16 22.041 9.439 -4.391
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 39.569 -1.281 0.393
2 H2 GLY 1 HT2 GLY 1 40.708 -1.166 1.648
3 H3 GLY 1 HT3 GLY 1 40.942 -0.308 0.199
4 HA2 GLY 1 HA1 GLY 1 38.554 0.142 1.801
5 HA3 GLY 1 HA2 GLY 1 40.079 0.893 2.255
6 H LEU 2 HN LEU 2 37.312 1.225 0.470
7 HA LEU 2 HA LEU 2 38.204 3.685 -0.714
8 HB2 LEU 2 HB2 LEU 2 37.937 3.148 -3.021
9 HB3 LEU 2 HB1 LEU 2 39.000 1.919 -2.348
10 HG LEU 2 HG LEU 2 36.044 1.638 -2.971
11 HD11 LEU 2 HD11 LEU 2 37.621 1.444 -4.872
12 HD12 LEU 2 HD12 LEU 2 36.837 -0.095 -4.515
13 HD13 LEU 2 HD13 LEU 2 38.500 0.188 -4.002
14 HD21 LEU 2 HD21 LEU 2 36.507 -0.796 -2.234
15 HD22 LEU 2 HD22 LEU 2 36.333 0.400 -0.955
16 HD23 LEU 2 HD23 LEU 2 37.939 -0.156 -1.427
17 H PHE 3 HN PHE 3 35.945 1.755 0.656
18 HA PHE 3 HA PHE 3 33.589 3.002 -0.599
19 HB2 PHE 3 HB2 PHE 3 33.896 0.890 1.550
20 HB3 PHE 3 HB1 PHE 3 32.341 1.538 1.033
21 HD1 PHE 3 HD1 PHE 3 34.662 -1.072 0.472
22 HD2 PHE 3 HD2 PHE 3 32.001 1.599 -1.638
23 HE1 PHE 3 HE1 PHE 3 34.617 -2.640 -1.463
24 HE2 PHE 3 HE2 PHE 3 31.965 0.032 -3.571
25 HZ PHE 3 HZ PHE 3 33.344 -2.042 -3.519
26 H ASP 4 HN ASP 4 35.443 3.032 2.393
27 HA ASP 4 HA ASP 4 33.625 4.557 3.943
28 HB2 ASP 4 HB2 ASP 4 36.636 4.559 4.213
29 HB3 ASP 4 HB1 ASP 4 35.438 4.858 5.474
30 H ILE 5 HN ILE 5 36.199 5.428 1.699
31 HA ILE 5 HA ILE 5 36.143 8.231 2.297
32 HB ILE 5 HB ILE 5 37.122 6.978 -0.284
33 HG12 ILE 5 HG12 ILE 5 38.529 7.228 2.396
34 HG13 ILE 5 HG11 ILE 5 38.094 5.727 1.580
35 HG21 ILE 5 HG21 ILE 5 38.194 9.369 1.239
36 HG22 ILE 5 HG22 ILE 5 36.931 9.521 0.019
37 HG23 ILE 5 HG23 ILE 5 38.520 8.909 -0.432
38 HD11 ILE 5 HD1 ILE 5 40.185 7.758 0.779
39 HD12 ILE 5 HD2 ILE 5 39.542 6.597 -0.385
40 HD13 ILE 5 HD3 ILE 5 40.385 6.028 1.055
41 H VAL 6 HN VAL 6 34.825 6.239 -0.351
42 HA VAL 6 HA VAL 6 33.603 8.323 -1.783
43 HB VAL 6 HB VAL 6 32.816 5.400 -1.569
44 HG11 VAL 6 HG11 VAL 6 30.880 6.552 -2.385
45 HG12 VAL 6 HG12 VAL 6 31.690 5.910 -3.813
46 HG13 VAL 6 HG13 VAL 6 31.856 7.617 -3.398
47 HG21 VAL 6 HG21 VAL 6 34.257 6.846 -3.810
48 HG22 VAL 6 HG22 VAL 6 34.102 5.106 -3.568
49 HG23 VAL 6 HG23 VAL 6 35.118 6.061 -2.487
50 H LYS 7 HN LYS 7 32.790 6.906 1.231
51 HA LYS 7 HA LYS 7 29.979 7.413 1.195
52 HB2 LYS 7 HB2 LYS 7 31.198 5.839 2.769
53 HB3 LYS 7 HB1 LYS 7 31.755 7.267 3.638
54 HG2 LYS 7 HG2 LYS 7 29.337 7.965 3.872
55 HG3 LYS 7 HG1 LYS 7 28.886 6.395 3.207
56 HD2 LYS 7 HD2 LYS 7 30.010 5.246 5.037
57 HD3 LYS 7 HD1 LYS 7 30.612 6.780 5.670
58 HE2 LYS 7 HE2 LYS 7 28.637 6.085 6.938
59 HE3 LYS 7 HE1 LYS 7 28.265 7.534 6.005
60 HZ1 LYS 7 HZ1 LYS 7 26.864 6.422 4.663
61 HZ2 LYS 7 HZ2 LYS 7 26.758 5.350 5.977
62 HZ3 LYS 7 HZ3 LYS 7 27.787 4.999 4.671
63 H LYS 8 HN LYS 8 32.823 9.270 2.106
64 HA LYS 8 HA LYS 8 31.384 11.419 3.341
65 HB2 LYS 8 HB2 LYS 8 34.157 11.524 2.143
66 HB3 LYS 8 HB1 LYS 8 33.492 12.555 3.410
67 HG2 LYS 8 HG2 LYS 8 33.225 10.524 4.852
68 HG3 LYS 8 HG1 LYS 8 34.046 9.582 3.607
69 HD2 LYS 8 HD2 LYS 8 36.018 11.081 3.802
70 HD3 LYS 8 HD1 LYS 8 35.202 11.958 5.098
71 HE2 LYS 8 HE2 LYS 8 35.806 8.987 5.164
72 HE3 LYS 8 HE1 LYS 8 36.798 10.220 5.941
73 HZ1 LYS 8 HZ1 LYS 8 35.299 9.359 7.551
74 HZ2 LYS 8 HZ2 LYS 8 33.963 9.569 6.522
75 HZ3 LYS 8 HZ3 LYS 8 34.769 10.921 7.160
76 H VAL 9 HN VAL 9 32.455 10.675 0.085
77 HA VAL 9 HA VAL 9 32.191 13.225 -1.074
78 HB VAL 9 HB VAL 9 31.688 10.524 -2.367
79 HG11 VAL 9 HG11 VAL 9 30.805 12.256 -3.780
80 HG12 VAL 9 HG12 VAL 9 32.383 11.831 -4.440
81 HG13 VAL 9 HG13 VAL 9 32.196 13.297 -3.478
82 HG21 VAL 9 HG21 VAL 9 34.056 10.779 -3.118
83 HG22 VAL 9 HG22 VAL 9 33.916 10.651 -1.365
84 HG23 VAL 9 HG23 VAL 9 34.191 12.223 -2.115
85 H VAL 10 HN VAL 10 29.877 10.510 -1.320
86 HA VAL 10 HA VAL 10 27.751 11.907 -2.411
87 HB VAL 10 HB VAL 10 26.273 10.186 -1.327
88 HG11 VAL 10 HG11 VAL 10 27.317 9.679 -3.461
89 HG12 VAL 10 HG12 VAL 10 27.389 8.237 -2.448
90 HG13 VAL 10 HG13 VAL 10 28.826 9.237 -2.661
91 HG21 VAL 10 HG21 VAL 10 27.414 8.393 -0.031
92 HG22 VAL 10 HG22 VAL 10 27.509 9.954 0.783
93 HG23 VAL 10 HG23 VAL 10 28.909 9.327 -0.087
94 H GLY 11 HN GLY 11 29.017 12.033 0.803
95 HA2 GLY 11 HA1 GLY 11 26.698 13.027 2.118
96 HA3 GLY 11 HA2 GLY 11 28.352 13.134 2.705
97 H ALA 12 HN ALA 12 29.353 14.533 0.376
98 HA ALA 12 HA ALA 12 28.752 17.208 1.194
99 HB1 ALA 12 HB1 ALA 12 30.967 16.439 0.319
100 HB2 ALA 12 HB2 ALA 12 30.338 17.877 -0.487
101 HB3 ALA 12 HB3 ALA 12 30.233 16.304 -1.278
102 H PHE 13 HN PHE 13 26.857 15.179 -0.419
103 HA PHE 13 HA PHE 13 25.134 15.370 -1.931
104 HB2 PHE 13 HB2 PHE 13 25.245 18.303 -1.197
105 HB3 PHE 13 HB1 PHE 13 23.856 17.408 -1.810
106 HD1 PHE 13 HD1 PHE 13 25.622 18.442 1.150
107 HD2 PHE 13 HD2 PHE 13 23.031 15.369 -0.425
108 HE1 PHE 13 HE1 PHE 13 24.991 17.786 3.469
109 HE2 PHE 13 HE2 PHE 13 22.400 14.713 1.894
110 HZ PHE 13 HZ PHE 13 23.313 15.980 3.836
111 H GLY 14 HN GLY 14 28.051 16.147 -2.698
112 HA2 GLY 14 HA1 GLY 14 27.784 17.992 -4.868
113 HA3 GLY 14 HA2 GLY 14 29.174 16.971 -4.530
114 H SER 15 HN SER 15 25.905 15.764 -4.972
115 HA SER 15 HA SER 15 26.230 15.086 -7.739
116 HB2 SER 15 HB2 SER 15 26.434 12.831 -5.730
117 HB3 SER 15 HB1 SER 15 26.373 12.663 -7.482
118 HG SER 15 HG SER 15 28.371 13.457 -7.641
119 H LEU 16 HN LEU 16 24.185 16.411 -7.027
120 HA LEU 16 HA LEU 16 21.948 14.693 -7.383
121 HB2 LEU 16 HB2 LEU 16 22.197 14.199 -5.035
122 HB3 LEU 16 HB1 LEU 16 22.364 15.907 -4.641
123 HG LEU 16 HG LEU 16 20.054 16.339 -5.223
124 HD11 LEU 16 HD11 LEU 16 18.607 14.288 -5.873
125 HD12 LEU 16 HD12 LEU 16 20.132 13.510 -6.294
126 HD13 LEU 16 HD13 LEU 16 19.633 14.983 -7.125
127 HD21 LEU 16 HD21 LEU 16 18.914 14.883 -3.586
128 HD22 LEU 16 HD22 LEU 16 20.485 15.410 -2.979
129 HD23 LEU 16 HD23 LEU 16 20.287 13.776 -3.614
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 40.154 -0.834 0.669
2 H2 GLY 1 HT2 GLY 1 38.568 -1.439 0.771
3 H3 GLY 1 HT3 GLY 1 39.591 -1.488 2.128
4 HA2 GLY 1 HA1 GLY 1 37.916 0.257 2.222
5 HA3 GLY 1 HA2 GLY 1 39.577 0.820 2.349
6 H LEU 2 HN LEU 2 36.651 1.212 0.789
7 HA LEU 2 HA LEU 2 37.670 3.317 -0.873
8 HB2 LEU 2 HB2 LEU 2 36.641 2.231 -3.001
9 HB3 LEU 2 HB1 LEU 2 38.240 1.700 -2.486
10 HG LEU 2 HG LEU 2 37.201 -0.240 -1.319
11 HD11 LEU 2 HD11 LEU 2 34.679 1.036 -2.394
12 HD12 LEU 2 HD12 LEU 2 34.993 0.385 -0.785
13 HD13 LEU 2 HD13 LEU 2 34.753 -0.709 -2.141
14 HD21 LEU 2 HD21 LEU 2 36.447 0.044 -4.245
15 HD22 LEU 2 HD22 LEU 2 36.644 -1.478 -3.375
16 HD23 LEU 2 HD23 LEU 2 38.035 -0.427 -3.640
17 H PHE 3 HN PHE 3 35.390 1.917 0.972
18 HA PHE 3 HA PHE 3 33.059 3.221 -0.293
19 HB2 PHE 3 HB2 PHE 3 32.891 0.863 0.555
20 HB3 PHE 3 HB1 PHE 3 33.163 1.481 2.184
21 HD1 PHE 3 HD1 PHE 3 30.872 1.594 -0.750
22 HD2 PHE 3 HD2 PHE 3 31.419 2.623 3.406
23 HE1 PHE 3 HE1 PHE 3 28.454 2.172 -0.574
24 HE2 PHE 3 HE2 PHE 3 29.002 3.198 3.582
25 HZ PHE 3 HZ PHE 3 27.507 2.910 1.610
26 H ASP 4 HN ASP 4 35.064 3.281 2.616
27 HA ASP 4 HA ASP 4 33.550 5.168 4.078
28 HB2 ASP 4 HB2 ASP 4 36.546 4.730 4.160
29 HB3 ASP 4 HB1 ASP 4 35.553 5.463 5.421
30 H ILE 5 HN ILE 5 35.996 5.484 1.577
31 HA ILE 5 HA ILE 5 36.339 8.320 1.880
32 HB ILE 5 HB ILE 5 36.954 6.703 -0.610
33 HG12 ILE 5 HG12 ILE 5 38.591 7.021 1.927
34 HG13 ILE 5 HG11 ILE 5 37.907 5.519 1.308
35 HG21 ILE 5 HG21 ILE 5 38.432 9.064 0.579
36 HG22 ILE 5 HG22 ILE 5 37.101 9.266 -0.559
37 HG23 ILE 5 HG23 ILE 5 38.560 8.411 -1.055
38 HD11 ILE 5 HD1 ILE 5 40.168 5.463 0.599
39 HD12 ILE 5 HD2 ILE 5 40.161 7.167 0.153
40 HD13 ILE 5 HD3 ILE 5 39.286 5.995 -0.833
41 H VAL 6 HN VAL 6 34.627 6.256 -0.469
42 HA VAL 6 HA VAL 6 33.505 8.393 -1.955
43 HB VAL 6 HB VAL 6 32.488 5.552 -1.642
44 HG11 VAL 6 HG11 VAL 6 31.474 6.081 -3.921
45 HG12 VAL 6 HG12 VAL 6 31.845 7.773 -3.597
46 HG13 VAL 6 HG13 VAL 6 30.724 6.901 -2.553
47 HG21 VAL 6 HG21 VAL 6 34.862 5.876 -2.504
48 HG22 VAL 6 HG22 VAL 6 34.164 6.758 -3.862
49 HG23 VAL 6 HG23 VAL 6 33.769 5.056 -3.619
50 H LYS 7 HN LYS 7 32.720 7.035 1.101
51 HA LYS 7 HA LYS 7 29.944 7.642 1.180
52 HB2 LYS 7 HB2 LYS 7 31.017 6.100 2.775
53 HB3 LYS 7 HB1 LYS 7 31.930 7.446 3.457
54 HG2 LYS 7 HG2 LYS 7 29.920 8.526 4.224
55 HG3 LYS 7 HG1 LYS 7 28.905 7.388 3.336
56 HD2 LYS 7 HD2 LYS 7 29.592 5.559 4.761
57 HD3 LYS 7 HD1 LYS 7 30.796 6.573 5.558
58 HE2 LYS 7 HE2 LYS 7 28.587 6.240 6.814
59 HE3 LYS 7 HE1 LYS 7 29.127 7.907 6.611
60 HZ1 LYS 7 HZ1 LYS 7 27.433 6.765 4.522
61 HZ2 LYS 7 HZ2 LYS 7 27.503 8.356 5.116
62 HZ3 LYS 7 HZ3 LYS 7 26.695 7.152 5.999
63 H LYS 8 HN LYS 8 32.850 9.444 2.121
64 HA LYS 8 HA LYS 8 31.483 11.673 3.230
65 HB2 LYS 8 HB2 LYS 8 33.886 11.136 3.641
66 HB3 LYS 8 HB1 LYS 8 34.239 11.614 1.980
67 HG2 LYS 8 HG2 LYS 8 33.482 13.872 2.398
68 HG3 LYS 8 HG1 LYS 8 32.889 13.426 3.997
69 HD2 LYS 8 HD2 LYS 8 35.175 12.916 4.728
70 HD3 LYS 8 HD1 LYS 8 35.789 13.304 3.121
71 HE2 LYS 8 HE2 LYS 8 34.267 15.265 4.858
72 HE3 LYS 8 HE1 LYS 8 36.027 15.182 4.784
73 HZ1 LYS 8 HZ1 LYS 8 35.809 16.598 3.092
74 HZ2 LYS 8 HZ2 LYS 8 34.156 16.265 2.884
75 HZ3 LYS 8 HZ3 LYS 8 35.324 15.252 2.181
76 H VAL 9 HN VAL 9 32.617 10.895 -0.022
77 HA VAL 9 HA VAL 9 32.229 13.419 -1.206
78 HB VAL 9 HB VAL 9 31.870 10.713 -2.532
79 HG11 VAL 9 HG11 VAL 9 32.466 13.497 -3.574
80 HG12 VAL 9 HG12 VAL 9 31.052 12.505 -3.932
81 HG13 VAL 9 HG13 VAL 9 32.637 12.035 -4.545
82 HG21 VAL 9 HG21 VAL 9 34.361 12.425 -2.258
83 HG22 VAL 9 HG22 VAL 9 34.248 10.866 -3.076
84 HG23 VAL 9 HG23 VAL 9 34.048 10.962 -1.326
85 H VAL 10 HN VAL 10 30.090 10.562 -1.447
86 HA VAL 10 HA VAL 10 27.901 11.945 -2.545
87 HB VAL 10 HB VAL 10 27.799 9.451 -0.821
88 HG11 VAL 10 HG11 VAL 10 25.917 10.661 -2.866
89 HG12 VAL 10 HG12 VAL 10 25.595 10.385 -1.153
90 HG13 VAL 10 HG13 VAL 10 25.762 9.015 -2.251
91 HG21 VAL 10 HG21 VAL 10 27.976 8.225 -2.943
92 HG22 VAL 10 HG22 VAL 10 29.391 9.255 -2.722
93 HG23 VAL 10 HG23 VAL 10 28.106 9.745 -3.827
94 H GLY 11 HN GLY 11 28.997 11.546 0.746
95 HA2 GLY 11 HA1 GLY 11 26.619 12.244 2.091
96 HA3 GLY 11 HA2 GLY 11 28.247 12.397 2.738
97 H ALA 12 HN ALA 12 29.315 14.202 0.888
98 HA ALA 12 HA ALA 12 28.215 16.673 1.892
99 HB1 ALA 12 HB1 ALA 12 30.638 16.345 1.601
100 HB2 ALA 12 HB2 ALA 12 30.049 17.719 0.664
101 HB3 ALA 12 HB3 ALA 12 30.399 16.188 -0.140
102 H PHE 13 HN PHE 13 27.342 14.671 -0.599
103 HA PHE 13 HA PHE 13 26.104 14.921 -2.521
104 HB2 PHE 13 HB2 PHE 13 25.193 17.461 -1.148
105 HB3 PHE 13 HB1 PHE 13 24.340 16.589 -2.421
106 HD1 PHE 13 HD1 PHE 13 24.966 16.810 1.148
107 HD2 PHE 13 HD2 PHE 13 23.584 14.188 -1.991
108 HE1 PHE 13 HE1 PHE 13 23.890 15.341 2.848
109 HE2 PHE 13 HE2 PHE 13 22.508 12.720 -0.289
110 HZ PHE 13 HZ PHE 13 22.601 13.335 2.122
111 H GLY 14 HN GLY 14 28.805 16.287 -2.262
112 HA2 GLY 14 HA1 GLY 14 28.650 18.655 -3.883
113 HA3 GLY 14 HA2 GLY 14 30.113 17.811 -3.396
114 H SER 15 HN SER 15 27.263 16.897 -5.337
115 HA SER 15 HA SER 15 28.722 16.789 -7.787
116 HB2 SER 15 HB2 SER 15 28.551 14.289 -8.059
117 HB3 SER 15 HB1 SER 15 29.748 14.818 -6.880
118 HG SER 15 HG SER 15 28.150 13.079 -6.297
119 H LEU 16 HN LEU 16 26.001 15.357 -5.992
120 HA LEU 16 HA LEU 16 24.313 15.021 -8.251
121 HB2 LEU 16 HB2 LEU 16 23.834 15.160 -5.274
122 HB3 LEU 16 HB1 LEU 16 22.482 15.039 -6.398
123 HG LEU 16 HG LEU 16 23.423 12.972 -7.338
124 HD11 LEU 16 HD11 LEU 16 25.775 13.244 -7.102
125 HD12 LEU 16 HD12 LEU 16 25.366 11.925 -6.010
126 HD13 LEU 16 HD13 LEU 16 25.649 13.544 -5.369
127 HD21 LEU 16 HD21 LEU 16 23.115 11.538 -5.335
128 HD22 LEU 16 HD22 LEU 16 21.896 12.809 -5.416
129 HD23 LEU 16 HD23 LEU 16 23.258 12.964 -4.306
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 41.212 1.243 1.461
2 H2 GLY 1 HT2 GLY 1 40.188 0.197 2.324
3 H3 GLY 1 HT3 GLY 1 41.151 1.326 3.153
4 HA2 GLY 1 HA1 GLY 1 38.658 1.751 2.734
5 HA3 GLY 1 HA2 GLY 1 39.844 3.048 2.673
6 H LEU 2 HN LEU 2 37.231 1.946 1.182
7 HA LEU 2 HA LEU 2 37.750 3.412 -1.231
8 HB2 LEU 2 HB2 LEU 2 37.567 1.652 -2.829
9 HB3 LEU 2 HB1 LEU 2 38.796 1.143 -1.678
10 HG LEU 2 HG LEU 2 35.909 0.213 -1.801
11 HD11 LEU 2 HD11 LEU 2 36.876 -1.943 -2.290
12 HD12 LEU 2 HD12 LEU 2 38.505 -1.337 -1.989
13 HD13 LEU 2 HD13 LEU 2 37.598 -0.771 -3.392
14 HD21 LEU 2 HD21 LEU 2 38.044 -0.174 0.316
15 HD22 LEU 2 HD22 LEU 2 36.727 -1.329 0.111
16 HD23 LEU 2 HD23 LEU 2 36.371 0.342 0.534
17 H PHE 3 HN PHE 3 35.824 2.317 1.155
18 HA PHE 3 HA PHE 3 33.317 2.875 -0.354
19 HB2 PHE 3 HB2 PHE 3 33.553 0.489 0.428
20 HB3 PHE 3 HB1 PHE 3 33.589 1.097 2.082
21 HD1 PHE 3 HD1 PHE 3 31.504 0.535 -0.900
22 HD2 PHE 3 HD2 PHE 3 31.607 2.187 3.086
23 HE1 PHE 3 HE1 PHE 3 29.015 0.648 -0.883
24 HE2 PHE 3 HE2 PHE 3 29.118 2.300 3.105
25 HZ PHE 3 HZ PHE 3 27.828 1.608 1.087
26 H ASP 4 HN ASP 4 35.068 3.126 2.712
27 HA ASP 4 HA ASP 4 33.128 4.783 3.997
28 HB2 ASP 4 HB2 ASP 4 34.891 3.421 5.175
29 HB3 ASP 4 HB1 ASP 4 36.084 4.594 4.614
30 H ILE 5 HN ILE 5 35.859 5.334 1.884
31 HA ILE 5 HA ILE 5 36.017 8.172 2.351
32 HB ILE 5 HB ILE 5 37.040 6.690 -0.089
33 HG12 ILE 5 HG12 ILE 5 38.343 7.027 2.635
34 HG13 ILE 5 HG11 ILE 5 37.791 5.506 1.935
35 HG21 ILE 5 HG21 ILE 5 37.029 9.253 0.049
36 HG22 ILE 5 HG22 ILE 5 38.589 8.499 -0.266
37 HG23 ILE 5 HG23 ILE 5 38.206 9.087 1.353
38 HD11 ILE 5 HD1 ILE 5 39.380 6.052 -0.037
39 HD12 ILE 5 HD2 ILE 5 40.115 5.539 1.482
40 HD13 ILE 5 HD3 ILE 5 40.095 7.247 1.048
41 H VAL 6 HN VAL 6 34.635 6.088 -0.177
42 HA VAL 6 HA VAL 6 33.694 8.090 -1.893
43 HB VAL 6 HB VAL 6 32.422 5.394 -1.322
44 HG11 VAL 6 HG11 VAL 6 30.862 6.769 -2.523
45 HG12 VAL 6 HG12 VAL 6 31.614 5.707 -3.713
46 HG13 VAL 6 HG13 VAL 6 32.129 7.390 -3.581
47 HG21 VAL 6 HG21 VAL 6 34.845 5.344 -2.010
48 HG22 VAL 6 HG22 VAL 6 34.394 6.200 -3.484
49 HG23 VAL 6 HG23 VAL 6 33.765 4.581 -3.177
50 H LYS 7 HN LYS 7 32.490 6.921 1.154
51 HA LYS 7 HA LYS 7 29.832 7.892 0.972
52 HB2 LYS 7 HB2 LYS 7 30.757 6.253 2.680
53 HB3 LYS 7 HB1 LYS 7 31.466 7.641 3.505
54 HG2 LYS 7 HG2 LYS 7 29.113 8.659 3.508
55 HG3 LYS 7 HG1 LYS 7 28.533 7.068 3.020
56 HD2 LYS 7 HD2 LYS 7 30.078 7.731 5.545
57 HD3 LYS 7 HD1 LYS 7 28.382 7.260 5.444
58 HE2 LYS 7 HE2 LYS 7 30.834 5.569 4.946
59 HE3 LYS 7 HE1 LYS 7 29.480 5.249 6.029
60 HZ1 LYS 7 HZ1 LYS 7 29.704 4.824 3.162
61 HZ2 LYS 7 HZ2 LYS 7 28.205 5.400 3.715
62 HZ3 LYS 7 HZ3 LYS 7 28.838 3.946 4.326
63 H LYS 8 HN LYS 8 32.887 9.373 1.865
64 HA LYS 8 HA LYS 8 31.802 11.744 3.009
65 HB2 LYS 8 HB2 LYS 8 34.498 11.410 1.677
66 HB3 LYS 8 HB1 LYS 8 34.046 12.613 2.888
67 HG2 LYS 8 HG2 LYS 8 33.578 10.749 4.493
68 HG3 LYS 8 HG1 LYS 8 34.189 9.611 3.291
69 HD2 LYS 8 HD2 LYS 8 36.375 10.712 3.312
70 HD3 LYS 8 HD1 LYS 8 35.775 11.924 4.445
71 HE2 LYS 8 HE2 LYS 8 35.322 10.134 6.100
72 HE3 LYS 8 HE1 LYS 8 35.973 8.944 4.975
73 HZ1 LYS 8 HZ1 LYS 8 38.100 9.892 5.108
74 HZ2 LYS 8 HZ2 LYS 8 37.548 9.825 6.714
75 HZ3 LYS 8 HZ3 LYS 8 37.529 11.297 5.867
76 H VAL 9 HN VAL 9 32.916 10.902 -0.256
77 HA VAL 9 HA VAL 9 32.691 13.428 -1.438
78 HB VAL 9 HB VAL 9 32.052 10.784 -2.783
79 HG11 VAL 9 HG11 VAL 9 32.923 12.005 -4.788
80 HG12 VAL 9 HG12 VAL 9 33.021 13.469 -3.810
81 HG13 VAL 9 HG13 VAL 9 31.455 12.725 -4.129
82 HG21 VAL 9 HG21 VAL 9 34.724 12.191 -2.473
83 HG22 VAL 9 HG22 VAL 9 34.436 10.674 -3.324
84 HG23 VAL 9 HG23 VAL 9 34.238 10.753 -1.574
85 H VAL 10 HN VAL 10 30.315 10.771 -1.701
86 HA VAL 10 HA VAL 10 28.235 12.368 -2.726
87 HB VAL 10 HB VAL 10 27.888 9.865 -1.053
88 HG11 VAL 10 HG11 VAL 10 25.810 11.050 -1.516
89 HG12 VAL 10 HG12 VAL 10 25.880 9.601 -2.520
90 HG13 VAL 10 HG13 VAL 10 26.230 11.181 -3.225
91 HG21 VAL 10 HG21 VAL 10 29.527 9.432 -2.820
92 HG22 VAL 10 HG22 VAL 10 28.468 10.181 -4.017
93 HG23 VAL 10 HG23 VAL 10 27.994 8.668 -3.242
94 H GLY 11 HN GLY 11 29.254 11.639 0.555
95 HA2 GLY 11 HA1 GLY 11 27.082 12.372 2.059
96 HA3 GLY 11 HA2 GLY 11 28.745 12.675 2.541
97 H ALA 12 HN ALA 12 29.472 14.515 0.557
98 HA ALA 12 HA ALA 12 28.552 16.931 1.672
99 HB1 ALA 12 HB1 ALA 12 29.804 18.021 -0.049
100 HB2 ALA 12 HB2 ALA 12 29.747 16.587 -1.077
101 HB3 ALA 12 HB3 ALA 12 30.700 16.572 0.408
102 H PHE 13 HN PHE 13 27.745 15.350 -1.417
103 HA PHE 13 HA PHE 13 25.681 17.298 -2.029
104 HB2 PHE 13 HB2 PHE 13 26.506 14.704 -3.353
105 HB3 PHE 13 HB1 PHE 13 25.245 15.772 -3.970
106 HD1 PHE 13 HD1 PHE 13 25.782 17.894 -5.026
107 HD2 PHE 13 HD2 PHE 13 28.876 15.463 -3.250
108 HE1 PHE 13 HE1 PHE 13 27.520 19.306 -6.120
109 HE2 PHE 13 HE2 PHE 13 30.613 16.874 -4.345
110 HZ PHE 13 HZ PHE 13 29.935 18.805 -5.769
111 H GLY 14 HN GLY 14 25.636 15.369 0.386
112 HA2 GLY 14 HA1 GLY 14 23.407 13.634 -0.056
113 HA3 GLY 14 HA2 GLY 14 24.124 14.038 1.497
114 H SER 15 HN SER 15 23.146 16.649 -0.530
115 HA SER 15 HA SER 15 20.448 16.860 0.408
116 HB2 SER 15 HB2 SER 15 22.554 18.595 1.712
117 HB3 SER 15 HB1 SER 15 20.823 18.918 1.783
118 HG SER 15 HG SER 15 22.198 16.612 2.711
119 H LEU 16 HN LEU 16 23.281 18.750 -0.642
120 HA LEU 16 HA LEU 16 21.724 20.684 -2.070
121 HB2 LEU 16 HB2 LEU 16 24.639 20.062 -2.561
122 HB3 LEU 16 HB1 LEU 16 23.799 21.599 -2.771
123 HG LEU 16 HG LEU 16 24.320 20.197 -0.129
124 HD11 LEU 16 HD11 LEU 16 26.324 21.230 -1.104
125 HD12 LEU 16 HD12 LEU 16 25.778 22.158 0.293
126 HD13 LEU 16 HD13 LEU 16 25.447 22.741 -1.339
127 HD21 LEU 16 HD21 LEU 16 22.252 21.361 0.119
128 HD22 LEU 16 HD22 LEU 16 22.807 22.721 -0.858
129 HD23 LEU 16 HD23 LEU 16 23.466 22.466 0.758
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 41.542 1.327 1.684
2 H2 GLY 1 HT2 GLY 1 41.892 1.827 0.099
3 H3 GLY 1 HT3 GLY 1 40.593 0.771 0.395
4 HA2 GLY 1 HA1 GLY 1 39.439 2.446 1.596
5 HA3 GLY 1 HA2 GLY 1 40.799 3.538 1.358
6 H LEU 2 HN LEU 2 37.871 2.428 0.145
7 HA LEU 2 HA LEU 2 37.897 4.300 -2.012
8 HB2 LEU 2 HB2 LEU 2 37.779 2.825 -3.885
9 HB3 LEU 2 HB1 LEU 2 39.205 2.353 -2.970
10 HG LEU 2 HG LEU 2 36.501 0.972 -2.978
11 HD11 LEU 2 HD11 LEU 2 38.038 0.544 -4.895
12 HD12 LEU 2 HD12 LEU 2 37.757 -0.893 -3.913
13 HD13 LEU 2 HD13 LEU 2 39.267 0.003 -3.752
14 HD21 LEU 2 HD21 LEU 2 37.793 -0.706 -1.483
15 HD22 LEU 2 HD22 LEU 2 37.234 0.778 -0.720
16 HD23 LEU 2 HD23 LEU 2 38.926 0.616 -1.194
17 H PHE 3 HN PHE 3 36.444 2.535 0.298
18 HA PHE 3 HA PHE 3 33.722 2.877 -0.868
19 HB2 PHE 3 HB2 PHE 3 34.303 0.493 -0.551
20 HB3 PHE 3 HB1 PHE 3 34.634 0.811 1.152
21 HD1 PHE 3 HD1 PHE 3 32.854 0.956 2.759
22 HD2 PHE 3 HD2 PHE 3 31.972 0.920 -1.467
23 HE1 PHE 3 HE1 PHE 3 30.428 0.701 3.267
24 HE2 PHE 3 HE2 PHE 3 29.547 0.664 -0.958
25 HZ PHE 3 HZ PHE 3 28.768 0.637 1.409
26 H ASP 4 HN ASP 4 35.768 3.039 2.010
27 HA ASP 4 HA ASP 4 33.727 4.132 3.706
28 HB2 ASP 4 HB2 ASP 4 35.621 4.613 5.240
29 HB3 ASP 4 HB1 ASP 4 35.621 2.943 4.674
30 H ILE 5 HN ILE 5 36.177 5.429 1.558
31 HA ILE 5 HA ILE 5 35.948 8.144 2.472
32 HB ILE 5 HB ILE 5 36.971 7.248 -0.238
33 HG12 ILE 5 HG12 ILE 5 38.446 7.349 2.417
34 HG13 ILE 5 HG11 ILE 5 38.045 5.886 1.518
35 HG21 ILE 5 HG21 ILE 5 36.605 9.722 0.342
36 HG22 ILE 5 HG22 ILE 5 38.222 9.279 -0.195
37 HG23 ILE 5 HG23 ILE 5 37.902 9.531 1.521
38 HD11 ILE 5 HD1 ILE 5 40.294 6.334 0.921
39 HD12 ILE 5 HD2 ILE 5 39.999 8.064 0.768
40 HD13 ILE 5 HD3 ILE 5 39.360 6.951 -0.442
41 H VAL 6 HN VAL 6 34.586 6.240 -0.184
42 HA VAL 6 HA VAL 6 33.307 8.261 -1.610
43 HB VAL 6 HB VAL 6 32.273 5.448 -1.130
44 HG11 VAL 6 HG11 VAL 6 31.260 5.860 -3.426
45 HG12 VAL 6 HG12 VAL 6 31.687 7.558 -3.223
46 HG13 VAL 6 HG13 VAL 6 30.546 6.798 -2.115
47 HG21 VAL 6 HG21 VAL 6 34.645 5.645 -2.002
48 HG22 VAL 6 HG22 VAL 6 33.988 6.498 -3.400
49 HG23 VAL 6 HG23 VAL 6 33.531 4.822 -3.094
50 H LYS 7 HN LYS 7 32.621 7.006 1.519
51 HA LYS 7 HA LYS 7 29.853 7.609 1.668
52 HB2 LYS 7 HB2 LYS 7 31.074 6.147 3.282
53 HB3 LYS 7 HB1 LYS 7 31.874 7.583 3.923
54 HG2 LYS 7 HG2 LYS 7 29.783 8.523 4.653
55 HG3 LYS 7 HG1 LYS 7 28.862 7.288 3.794
56 HD2 LYS 7 HD2 LYS 7 29.801 5.549 5.260
57 HD3 LYS 7 HD1 LYS 7 30.744 6.770 6.115
58 HE2 LYS 7 HE2 LYS 7 28.606 6.154 7.282
59 HE3 LYS 7 HE1 LYS 7 28.727 7.868 6.891
60 HZ1 LYS 7 HZ1 LYS 7 27.118 7.724 5.331
61 HZ2 LYS 7 HZ2 LYS 7 26.609 6.420 6.293
62 HZ3 LYS 7 HZ3 LYS 7 27.515 6.137 4.884
63 H LYS 8 HN LYS 8 32.770 9.509 2.129
64 HA LYS 8 HA LYS 8 31.454 11.779 3.296
65 HB2 LYS 8 HB2 LYS 8 34.134 11.595 1.899
66 HB3 LYS 8 HB1 LYS 8 33.582 12.933 2.906
67 HG2 LYS 8 HG2 LYS 8 33.443 11.465 4.850
68 HG3 LYS 8 HG1 LYS 8 33.880 10.071 3.861
69 HD2 LYS 8 HD2 LYS 8 36.051 11.171 3.325
70 HD3 LYS 8 HD1 LYS 8 35.619 12.496 4.405
71 HE2 LYS 8 HE2 LYS 8 35.894 9.585 5.210
72 HE3 LYS 8 HE1 LYS 8 37.059 10.863 5.561
73 HZ1 LYS 8 HZ1 LYS 8 34.341 10.490 6.636
74 HZ2 LYS 8 HZ2 LYS 8 35.050 12.033 6.618
75 HZ3 LYS 8 HZ3 LYS 8 35.791 10.764 7.472
76 H VAL 9 HN VAL 9 32.419 10.818 0.040
77 HA VAL 9 HA VAL 9 31.978 13.221 -1.311
78 HB VAL 9 HB VAL 9 31.414 10.432 -2.365
79 HG11 VAL 9 HG11 VAL 9 31.978 13.098 -3.689
80 HG12 VAL 9 HG12 VAL 9 30.528 12.108 -3.852
81 HG13 VAL 9 HG13 VAL 9 32.053 11.557 -4.544
82 HG21 VAL 9 HG21 VAL 9 33.739 10.450 -3.117
83 HG22 VAL 9 HG22 VAL 9 33.696 10.707 -1.373
84 HG23 VAL 9 HG23 VAL 9 33.968 12.070 -2.460
85 H VAL 10 HN VAL 10 29.709 10.467 -1.051
86 HA VAL 10 HA VAL 10 27.495 11.771 -2.161
87 HB VAL 10 HB VAL 10 26.117 10.069 -0.956
88 HG11 VAL 10 HG11 VAL 10 28.649 9.105 -2.318
89 HG12 VAL 10 HG12 VAL 10 27.105 9.465 -3.090
90 HG13 VAL 10 HG13 VAL 10 27.247 8.085 -2.002
91 HG21 VAL 10 HG21 VAL 10 27.393 8.347 0.361
92 HG22 VAL 10 HG22 VAL 10 27.357 9.934 1.131
93 HG23 VAL 10 HG23 VAL 10 28.806 9.398 0.280
94 H GLY 11 HN GLY 11 29.008 12.185 0.883
95 HA2 GLY 11 HA1 GLY 11 26.749 13.123 2.354
96 HA3 GLY 11 HA2 GLY 11 28.439 13.349 2.782
97 H ALA 12 HN ALA 12 29.459 14.789 0.750
98 HA ALA 12 HA ALA 12 28.356 17.402 1.232
99 HB1 ALA 12 HB1 ALA 12 30.739 17.183 1.029
100 HB2 ALA 12 HB2 ALA 12 30.163 18.124 -0.347
101 HB3 ALA 12 HB3 ALA 12 30.585 16.424 -0.555
102 H PHE 13 HN PHE 13 27.151 15.058 -0.580
103 HA PHE 13 HA PHE 13 25.756 14.945 -2.399
104 HB2 PHE 13 HB2 PHE 13 25.544 17.955 -2.256
105 HB3 PHE 13 HB1 PHE 13 24.323 16.790 -2.768
106 HD1 PHE 13 HD1 PHE 13 23.812 14.883 -0.914
107 HD2 PHE 13 HD2 PHE 13 25.298 18.853 -0.082
108 HE1 PHE 13 HE1 PHE 13 22.955 14.719 1.420
109 HE2 PHE 13 HE2 PHE 13 24.439 18.685 2.248
110 HZ PHE 13 HZ PHE 13 23.354 16.582 3.026
111 H GLY 14 HN GLY 14 28.745 16.010 -2.550
112 HA2 GLY 14 HA1 GLY 14 30.219 16.185 -4.310
113 HA3 GLY 14 HA2 GLY 14 28.869 15.941 -5.410
114 H SER 15 HN SER 15 27.343 17.872 -5.560
115 HA SER 15 HA SER 15 28.382 20.479 -4.982
116 HB2 SER 15 HB2 SER 15 28.758 21.189 -7.308
117 HB3 SER 15 HB1 SER 15 29.868 19.899 -6.852
118 HG SER 15 HG SER 15 27.809 18.647 -7.747
119 H LEU 16 HN LEU 16 25.981 18.343 -5.787
120 HA LEU 16 HA LEU 16 24.125 20.040 -7.136
121 HB2 LEU 16 HB2 LEU 16 23.870 17.463 -5.580
122 HB3 LEU 16 HB1 LEU 16 22.447 18.292 -6.209
123 HG LEU 16 HG LEU 16 23.434 18.213 -8.489
124 HD11 LEU 16 HD11 LEU 16 25.781 18.135 -8.127
125 HD12 LEU 16 HD12 LEU 16 25.385 16.531 -8.738
126 HD13 LEU 16 HD13 LEU 16 25.649 16.775 -7.011
127 HD21 LEU 16 HD21 LEU 16 21.910 16.425 -7.638
128 HD22 LEU 16 HD22 LEU 16 23.325 15.500 -7.133
129 HD23 LEU 16 HD23 LEU 16 23.050 15.826 -8.844
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 40.134 2.527 1.472
2 H2 GLY 1 HT2 GLY 1 40.896 1.013 1.604
3 H3 GLY 1 HT3 GLY 1 39.900 1.581 2.858
4 HA2 GLY 1 HA1 GLY 1 39.150 -0.091 0.934
5 HA3 GLY 1 HA2 GLY 1 38.071 0.900 1.907
6 H LEU 2 HN LEU 2 36.546 1.602 0.589
7 HA LEU 2 HA LEU 2 37.168 3.490 -1.461
8 HB2 LEU 2 HB2 LEU 2 36.420 2.317 -3.396
9 HB3 LEU 2 HB1 LEU 2 37.595 1.269 -2.609
10 HG LEU 2 HG LEU 2 34.571 1.021 -2.514
11 HD11 LEU 2 HD11 LEU 2 36.764 -0.792 -3.564
12 HD12 LEU 2 HD12 LEU 2 35.654 0.164 -4.548
13 HD13 LEU 2 HD13 LEU 2 35.041 -1.166 -3.565
14 HD21 LEU 2 HD21 LEU 2 36.740 -0.363 -0.912
15 HD22 LEU 2 HD22 LEU 2 35.173 -1.121 -1.192
16 HD23 LEU 2 HD23 LEU 2 35.267 0.404 -0.319
17 H PHE 3 HN PHE 3 35.259 2.202 0.849
18 HA PHE 3 HA PHE 3 32.730 3.362 -0.190
19 HB2 PHE 3 HB2 PHE 3 32.676 1.003 0.606
20 HB3 PHE 3 HB1 PHE 3 33.179 1.560 2.202
21 HD1 PHE 3 HD1 PHE 3 30.484 1.769 -0.363
22 HD2 PHE 3 HD2 PHE 3 31.622 2.625 3.712
23 HE1 PHE 3 HE1 PHE 3 28.116 2.313 0.184
24 HE2 PHE 3 HE2 PHE 3 29.252 3.167 4.259
25 HZ PHE 3 HZ PHE 3 27.505 3.043 2.487
26 H ASP 4 HN ASP 4 34.672 3.195 2.804
27 HA ASP 4 HA ASP 4 33.304 5.199 4.209
28 HB2 ASP 4 HB2 ASP 4 34.954 3.627 5.213
29 HB3 ASP 4 HB1 ASP 4 36.246 4.517 4.407
30 H ILE 5 HN ILE 5 35.855 5.379 1.804
31 HA ILE 5 HA ILE 5 36.370 8.193 2.201
32 HB ILE 5 HB ILE 5 37.098 6.554 -0.243
33 HG12 ILE 5 HG12 ILE 5 38.533 6.778 2.424
34 HG13 ILE 5 HG11 ILE 5 37.819 5.318 1.745
35 HG21 ILE 5 HG21 ILE 5 37.383 9.103 -0.166
36 HG22 ILE 5 HG22 ILE 5 38.829 8.171 -0.538
37 HG23 ILE 5 HG23 ILE 5 38.597 8.829 1.082
38 HD11 ILE 5 HD1 ILE 5 39.395 5.712 -0.274
39 HD12 ILE 5 HD2 ILE 5 40.122 5.130 1.224
40 HD13 ILE 5 HD3 ILE 5 40.252 6.833 0.787
41 H VAL 6 HN VAL 6 34.650 6.235 -0.227
42 HA VAL 6 HA VAL 6 33.813 8.456 -1.800
43 HB VAL 6 HB VAL 6 32.649 5.659 -1.601
44 HG11 VAL 6 HG11 VAL 6 31.757 6.274 -3.915
45 HG12 VAL 6 HG12 VAL 6 32.155 7.946 -3.526
46 HG13 VAL 6 HG13 VAL 6 30.965 7.074 -2.559
47 HG21 VAL 6 HG21 VAL 6 35.058 5.905 -2.353
48 HG22 VAL 6 HG22 VAL 6 34.467 6.876 -3.700
49 HG23 VAL 6 HG23 VAL 6 33.987 5.185 -3.558
50 H LYS 7 HN LYS 7 32.649 7.017 1.124
51 HA LYS 7 HA LYS 7 29.945 7.796 1.036
52 HB2 LYS 7 HB2 LYS 7 30.892 6.248 2.725
53 HB3 LYS 7 HB1 LYS 7 31.747 7.604 3.461
54 HG2 LYS 7 HG2 LYS 7 29.669 8.710 4.005
55 HG3 LYS 7 HG1 LYS 7 28.742 7.521 3.090
56 HD2 LYS 7 HD2 LYS 7 29.373 5.759 4.641
57 HD3 LYS 7 HD1 LYS 7 30.447 6.859 5.507
58 HE2 LYS 7 HE2 LYS 7 27.445 7.201 5.247
59 HE3 LYS 7 HE1 LYS 7 28.277 6.594 6.678
60 HZ1 LYS 7 HZ1 LYS 7 28.364 8.724 7.282
61 HZ2 LYS 7 HZ2 LYS 7 27.999 9.292 5.723
62 HZ3 LYS 7 HZ3 LYS 7 29.599 8.888 6.132
63 H LYS 8 HN LYS 8 32.871 9.547 1.910
64 HA LYS 8 HA LYS 8 31.533 11.837 2.983
65 HB2 LYS 8 HB2 LYS 8 34.342 11.512 1.899
66 HB3 LYS 8 HB1 LYS 8 33.756 12.918 2.791
67 HG2 LYS 8 HG2 LYS 8 33.255 11.499 4.733
68 HG3 LYS 8 HG1 LYS 8 33.795 10.074 3.846
69 HD2 LYS 8 HD2 LYS 8 36.044 11.181 3.587
70 HD3 LYS 8 HD1 LYS 8 35.479 12.455 4.666
71 HE2 LYS 8 HE2 LYS 8 34.993 10.705 6.392
72 HE3 LYS 8 HE1 LYS 8 35.722 9.506 5.324
73 HZ1 LYS 8 HZ1 LYS 8 36.983 11.623 6.877
74 HZ2 LYS 8 HZ2 LYS 8 37.638 11.321 5.338
75 HZ3 LYS 8 HZ3 LYS 8 37.553 10.074 6.489
76 H VAL 9 HN VAL 9 32.721 10.913 -0.204
77 HA VAL 9 HA VAL 9 32.460 13.433 -1.458
78 HB VAL 9 HB VAL 9 32.122 10.711 -2.755
79 HG11 VAL 9 HG11 VAL 9 31.442 12.529 -4.210
80 HG12 VAL 9 HG12 VAL 9 33.028 11.967 -4.739
81 HG13 VAL 9 HG13 VAL 9 32.888 13.453 -3.801
82 HG21 VAL 9 HG21 VAL 9 34.614 12.357 -2.198
83 HG22 VAL 9 HG22 VAL 9 34.568 10.920 -3.220
84 HG23 VAL 9 HG23 VAL 9 34.221 10.788 -1.496
85 H VAL 10 HN VAL 10 30.282 10.602 -1.636
86 HA VAL 10 HA VAL 10 28.168 12.068 -2.865
87 HB VAL 10 HB VAL 10 27.948 9.461 -1.330
88 HG11 VAL 10 HG11 VAL 10 26.045 9.119 -2.939
89 HG12 VAL 10 HG12 VAL 10 26.266 10.783 -3.480
90 HG13 VAL 10 HG13 VAL 10 25.788 10.454 -1.814
91 HG21 VAL 10 HG21 VAL 10 28.516 9.928 -4.276
92 HG22 VAL 10 HG22 VAL 10 28.333 8.361 -3.486
93 HG23 VAL 10 HG23 VAL 10 29.710 9.392 -3.094
94 H GLY 11 HN GLY 11 29.027 11.312 0.454
95 HA2 GLY 11 HA1 GLY 11 26.564 12.026 1.654
96 HA3 GLY 11 HA2 GLY 11 28.124 11.950 2.463
97 H ALA 12 HN ALA 12 29.326 13.882 0.586
98 HA ALA 12 HA ALA 12 28.638 16.278 2.016
99 HB1 ALA 12 HB1 ALA 12 30.938 15.783 1.270
100 HB2 ALA 12 HB2 ALA 12 30.357 17.327 0.645
101 HB3 ALA 12 HB3 ALA 12 30.407 15.913 -0.406
102 H PHE 13 HN PHE 13 27.835 14.885 -1.090
103 HA PHE 13 HA PHE 13 26.824 17.250 -2.308
104 HB2 PHE 13 HB2 PHE 13 27.433 15.237 -3.595
105 HB3 PHE 13 HB1 PHE 13 26.102 14.358 -2.841
106 HD1 PHE 13 HD1 PHE 13 26.967 17.200 -5.087
107 HD2 PHE 13 HD2 PHE 13 23.813 14.685 -3.550
108 HE1 PHE 13 HE1 PHE 13 25.403 18.114 -6.799
109 HE2 PHE 13 HE2 PHE 13 22.250 15.599 -5.262
110 HZ PHE 13 HZ PHE 13 23.056 17.284 -6.910
111 H GLY 14 HN GLY 14 25.522 14.964 -0.030
112 HA2 GLY 14 HA1 GLY 14 22.783 15.349 -0.380
113 HA3 GLY 14 HA2 GLY 14 23.555 14.921 1.141
114 H SER 15 HN SER 15 25.169 17.330 1.270
115 HA SER 15 HA SER 15 23.270 19.039 2.567
116 HB2 SER 15 HB2 SER 15 25.230 20.492 2.977
117 HB3 SER 15 HB1 SER 15 25.551 18.817 3.417
118 HG SER 15 HG SER 15 26.731 20.385 1.541
119 H LEU 16 HN LEU 16 25.133 19.201 -0.444
120 HA LEU 16 HA LEU 16 24.275 21.827 -1.160
121 HB2 LEU 16 HB2 LEU 16 25.160 19.694 -3.108
122 HB3 LEU 16 HB1 LEU 16 25.356 21.442 -3.235
123 HG LEU 16 HG LEU 16 26.730 19.623 -1.233
124 HD11 LEU 16 HD11 LEU 16 28.768 20.267 -2.446
125 HD12 LEU 16 HD12 LEU 16 27.814 21.267 -3.542
126 HD13 LEU 16 HD13 LEU 16 27.613 19.514 -3.546
127 HD21 LEU 16 HD21 LEU 16 28.011 21.808 -0.744
128 HD22 LEU 16 HD22 LEU 16 26.373 21.701 -0.109
129 HD23 LEU 16 HD23 LEU 16 26.690 22.636 -1.570