NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9236 |
1nkf   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 0 1H ACE 0 25.697 59.728 59.728
2 2H ACE 0 2H ACE 0 26.533 61.224 61.224
3 3H ACE 0 3H ACE 0 27.066 60.274 60.274
4 H ASP 1 H ASP 1 26.668 62.692 62.692
5 HA ASP 1 HA ASP 1 24.071 63.696 63.696
6 1HB ASP 1 1HB ASP 1 25.980 65.070 65.070
7 2HB ASP 1 2HB ASP 1 26.585 63.884 63.884
8 H LYS 2 H LYS 2 22.435 63.117 63.117
9 HA LYS 2 HA LYS 2 22.954 60.726 60.726
10 1HB LYS 2 1HB LYS 2 21.120 60.535 60.535
11 2HB LYS 2 2HB LYS 2 20.321 61.925 61.925
12 1HG LYS 2 1HG LYS 2 19.844 60.761 60.761
13 2HG LYS 2 2HG LYS 2 21.085 59.546 59.546
14 1HD LYS 2 1HD LYS 2 19.437 58.243 58.243
15 2HD LYS 2 2HD LYS 2 19.392 59.340 59.340
16 1HE LYS 2 1HE LYS 2 17.206 59.582 59.582
17 2HE LYS 2 2HE LYS 2 17.906 60.765 60.765
18 1HZ LYS 2 1HZ LYS 2 17.995 58.055 58.055
19 2HZ LYS 2 2HZ LYS 2 16.421 58.641 58.641
20 3HZ LYS 2 3HZ LYS 2 17.497 59.476 59.476
21 H ASP 3 H ASP 3 23.352 63.788 63.788
22 HA ASP 3 HA ASP 3 21.858 63.798 63.798
23 1HB ASP 3 1HB ASP 3 21.253 65.608 65.608
24 2HB ASP 3 2HB ASP 3 22.887 66.235 66.235
25 H GLY 4 H GLY 4 24.892 63.525 63.525
26 1HA GLY 4 1HA GLY 4 27.038 63.459 63.459
27 2HA GLY 4 2HA GLY 4 26.256 63.547 63.547
28 H ASP 5 H ASP 5 25.761 65.959 65.959
29 HA ASP 5 HA ASP 5 27.183 67.922 67.922
30 1HB ASP 5 1HB ASP 5 25.666 69.607 69.607
31 2HB ASP 5 2HB ASP 5 24.683 68.211 68.211
32 H GLY 6 H GLY 6 26.612 66.945 66.945
33 1HA GLY 6 1HA GLY 6 28.748 66.918 66.918
34 2HA GLY 6 2HA GLY 6 29.030 68.542 68.542
35 H TYR 7 H TYR 7 25.745 68.114 68.114
36 HA TYR 7 HA TYR 7 25.850 69.055 69.055
37 1HB TYR 7 1HB TYR 7 24.558 70.445 70.445
38 2HB TYR 7 2HB TYR 7 24.007 70.722 70.722
39 HD1 TYR 7 HD1 TYR 7 27.193 70.597 70.597
40 HD2 TYR 7 HD2 TYR 7 25.015 72.417 72.417
41 HE1 TYR 7 HE1 TYR 7 29.053 72.198 72.198
42 HE2 TYR 7 HE2 TYR 7 26.876 74.018 74.018
43 HH TYR 7 HH TYR 7 29.872 73.801 73.801
44 H ILE 8 H ILE 8 24.026 68.436 68.436
45 HA ILE 8 HA ILE 8 22.118 66.628 66.628
46 HB ILE 8 HB ILE 8 23.138 66.601 66.601
47 1HG1 ILE 8 1HG1 ILE 8 23.247 64.080 64.080
48 2HG1 ILE 8 2HG1 ILE 8 23.788 65.233 65.233
49 1HG2 ILE 8 1HG2 ILE 8 20.547 65.964 65.964
50 2HG2 ILE 8 2HG2 ILE 8 21.375 64.412 64.412
51 3HG2 ILE 8 3HG2 ILE 8 21.378 65.333 65.333
52 1HD1 ILE 8 1HD1 ILE 8 24.917 65.864 65.864
53 2HD1 ILE 8 2HD1 ILE 8 25.311 64.213 64.213
54 3HD1 ILE 8 3HD1 ILE 8 25.745 65.561 65.561
55 H SER 9 H SER 9 20.034 67.334 67.334
56 HA SER 9 HA SER 9 19.309 69.762 69.762
57 1HB SER 9 1HB SER 9 17.688 68.078 68.078
58 2HB SER 9 2HB SER 9 17.213 69.650 69.650
59 HG SER 9 HG SER 9 19.519 70.147 70.147
60 H ALA 10 H ALA 10 16.889 69.650 69.650
61 HA ALA 10 HA ALA 10 16.902 68.060 68.060
62 1HB ALA 10 1HB ALA 10 15.237 70.010 70.010
63 2HB ALA 10 2HB ALA 10 14.200 68.588 68.588
64 3HB ALA 10 3HB ALA 10 15.008 69.201 69.201
65 H ALA 11 H ALA 11 14.427 67.550 67.550
66 HA ALA 11 HA ALA 11 13.842 64.891 64.891
67 1HB ALA 11 1HB ALA 11 13.285 66.646 66.646
68 2HB ALA 11 2HB ALA 11 13.496 64.973 64.973
69 3HB ALA 11 3HB ALA 11 12.283 65.374 65.374
70 H GLU 12 H GLU 12 16.589 66.169 66.169
71 HA GLU 12 HA GLU 12 17.372 63.702 63.702
72 1HB GLU 12 1HB GLU 12 18.138 66.261 66.261
73 2HB GLU 12 2HB GLU 12 19.418 65.728 65.728
74 1HG GLU 12 1HG GLU 12 20.080 63.975 63.975
75 2HG GLU 12 2HG GLU 12 18.651 64.212 64.212
76 H ALA 13 H ALA 13 18.783 65.450 65.450
77 HA ALA 13 HA ALA 13 20.557 63.546 63.546
78 1HB ALA 13 1HB ALA 13 19.427 65.875 65.875
79 2HB ALA 13 2HB ALA 13 18.927 64.639 64.639
80 3HB ALA 13 3HB ALA 13 20.640 64.884 64.884
81 H ALA 14 H ALA 14 17.060 63.647 63.647
82 HA ALA 14 HA ALA 14 16.667 61.543 61.543
83 1HB ALA 14 1HB ALA 14 15.073 62.279 62.279
84 2HB ALA 14 2HB ALA 14 14.527 61.099 61.099
85 3HB ALA 14 3HB ALA 14 14.757 62.784 62.784
86 H ALA 15 H ALA 15 17.473 61.452 61.452
87 HA ALA 15 HA ALA 15 17.440 58.492 58.492
88 1HB ALA 15 1HB ALA 15 17.654 60.642 60.642
89 2HB ALA 15 2HB ALA 15 18.366 59.071 59.071
90 3HB ALA 15 3HB ALA 15 16.648 59.194 59.194
91 H GLN 16 H GLN 16 19.641 61.115 61.115
92 HA GLN 16 HA GLN 16 21.985 59.376 59.376
93 1HB GLN 16 1HB GLN 16 22.312 62.174 62.174
94 2HB GLN 16 2HB GLN 16 23.253 61.296 61.296
95 1HG GLN 16 1HG GLN 16 20.591 62.673 62.673
96 2HG GLN 16 2HG GLN 16 22.069 62.893 62.893
97 1HE2 GLN 16 1HE2 GLN 16 19.448 60.506 60.506
98 2HE2 GLN 16 2HE2 GLN 16 19.155 61.888 61.888
99 1HN NH2 17 1HN NH2 17 21.633 57.973 57.973
100 2HN NH2 17 2HN NH2 17 21.439 58.685 58.685
Start of MODEL 2
1 1H ACE 0 1H ACE 0 25.290 59.383 59.383
2 2H ACE 0 2H ACE 0 26.163 60.793 60.793
3 3H ACE 0 3H ACE 0 26.713 59.970 59.970
4 H ASP 1 H ASP 1 26.476 62.373 62.373
5 HA ASP 1 HA ASP 1 23.973 63.628 63.628
6 1HB ASP 1 1HB ASP 1 26.261 64.606 64.606
7 2HB ASP 1 2HB ASP 1 26.229 63.700 63.700
8 H LYS 2 H LYS 2 22.289 63.322 63.322
9 HA LYS 2 HA LYS 2 22.430 60.903 60.903
10 1HB LYS 2 1HB LYS 2 20.493 61.005 61.005
11 2HB LYS 2 2HB LYS 2 20.123 62.647 62.647
12 1HG LYS 2 1HG LYS 2 18.701 60.902 60.902
13 2HG LYS 2 2HG LYS 2 19.638 61.871 61.871
14 1HD LYS 2 1HD LYS 2 21.142 60.137 60.137
15 2HD LYS 2 2HD LYS 2 20.784 59.306 59.306
16 1HE LYS 2 1HE LYS 2 18.328 59.383 59.383
17 2HE LYS 2 2HE LYS 2 19.486 59.047 59.047
18 1HZ LYS 2 1HZ LYS 2 19.342 57.570 57.570
19 2HZ LYS 2 2HZ LYS 2 18.671 57.028 57.028
20 3HZ LYS 2 3HZ LYS 2 20.354 57.213 57.213
21 H ASP 3 H ASP 3 22.512 64.348 64.348
22 HA ASP 3 HA ASP 3 21.693 64.252 64.252
23 1HB ASP 3 1HB ASP 3 21.106 66.119 66.119
24 2HB ASP 3 2HB ASP 3 22.684 66.752 66.752
25 H GLY 4 H GLY 4 24.508 63.996 63.996
26 1HA GLY 4 1HA GLY 4 26.749 63.784 63.784
27 2HA GLY 4 2HA GLY 4 26.189 63.885 63.885
28 H ASP 5 H ASP 5 25.302 66.421 66.421
29 HA ASP 5 HA ASP 5 27.117 68.249 68.249
30 1HB ASP 5 1HB ASP 5 25.610 70.051 70.051
31 2HB ASP 5 2HB ASP 5 24.776 68.882 68.882
32 H GLY 6 H GLY 6 27.307 66.512 66.512
33 1HA GLY 6 1HA GLY 6 28.777 66.718 66.718
34 2HA GLY 6 2HA GLY 6 29.226 68.316 68.316
35 H TYR 7 H TYR 7 25.878 68.077 68.077
36 HA TYR 7 HA TYR 7 25.840 69.129 69.129
37 1HB TYR 7 1HB TYR 7 24.424 70.338 70.338
38 2HB TYR 7 2HB TYR 7 24.221 70.866 70.866
39 HD1 TYR 7 HD1 TYR 7 26.246 71.726 71.726
40 HD2 TYR 7 HD2 TYR 7 26.268 71.074 71.074
41 HE1 TYR 7 HE1 TYR 7 28.247 73.176 73.176
42 HE2 TYR 7 HE2 TYR 7 28.269 72.524 72.524
43 HH TYR 7 HH TYR 7 29.363 74.342 74.342
44 H ILE 8 H ILE 8 24.040 68.491 68.491
45 HA ILE 8 HA ILE 8 22.094 66.730 66.730
46 HB ILE 8 HB ILE 8 23.182 66.586 66.586
47 1HG1 ILE 8 1HG1 ILE 8 23.219 64.102 64.102
48 2HG1 ILE 8 2HG1 ILE 8 23.713 65.266 65.266
49 1HG2 ILE 8 1HG2 ILE 8 20.556 66.011 66.011
50 2HG2 ILE 8 2HG2 ILE 8 21.368 64.449 64.449
51 3HG2 ILE 8 3HG2 ILE 8 21.392 65.379 65.379
52 1HD1 ILE 8 1HD1 ILE 8 25.126 66.156 66.156
53 2HD1 ILE 8 2HD1 ILE 8 25.113 64.417 64.417
54 3HD1 ILE 8 3HD1 ILE 8 25.771 65.054 65.054
55 H SER 9 H SER 9 20.043 67.494 67.494
56 HA SER 9 HA SER 9 19.361 69.883 69.883
57 1HB SER 9 1HB SER 9 17.576 68.235 68.235
58 2HB SER 9 2HB SER 9 17.296 69.886 69.886
59 HG SER 9 HG SER 9 19.151 68.881 68.881
60 H ALA 10 H ALA 10 16.913 69.727 69.727
61 HA ALA 10 HA ALA 10 17.034 68.033 68.033
62 1HB ALA 10 1HB ALA 10 15.532 70.182 70.182
63 2HB ALA 10 2HB ALA 10 14.355 68.902 68.902
64 3HB ALA 10 3HB ALA 10 15.093 69.072 69.072
65 H ALA 11 H ALA 11 14.601 67.837 67.837
66 HA ALA 11 HA ALA 11 13.744 65.205 65.205
67 1HB ALA 11 1HB ALA 11 13.577 67.007 67.007
68 2HB ALA 11 2HB ALA 11 13.313 65.289 65.289
69 3HB ALA 11 3HB ALA 11 12.293 66.147 66.147
70 H GLU 12 H GLU 12 16.660 66.325 66.325
71 HA GLU 12 HA GLU 12 17.278 63.841 63.841
72 1HB GLU 12 1HB GLU 12 18.144 66.357 66.357
73 2HB GLU 12 2HB GLU 12 19.413 65.786 65.786
74 1HG GLU 12 1HG GLU 12 19.992 63.993 63.993
75 2HG GLU 12 2HG GLU 12 18.573 64.293 64.293
76 H ALA 13 H ALA 13 18.814 65.506 65.506
77 HA ALA 13 HA ALA 13 20.538 63.530 63.530
78 1HB ALA 13 1HB ALA 13 19.588 65.884 65.884
79 2HB ALA 13 2HB ALA 13 18.951 64.687 64.687
80 3HB ALA 13 3HB ALA 13 20.686 64.780 64.780
81 H ALA 14 H ALA 14 17.059 63.736 63.736
82 HA ALA 14 HA ALA 14 16.634 61.631 61.631
83 1HB ALA 14 1HB ALA 14 15.007 63.177 63.177
84 2HB ALA 14 2HB ALA 14 14.790 61.566 61.566
85 3HB ALA 14 3HB ALA 14 14.448 61.852 61.852
86 H ALA 15 H ALA 15 17.360 61.530 61.530
87 HA ALA 15 HA ALA 15 17.274 58.569 58.569
88 1HB ALA 15 1HB ALA 15 17.279 60.710 60.710
89 2HB ALA 15 2HB ALA 15 18.245 59.297 59.297
90 3HB ALA 15 3HB ALA 15 16.532 59.113 59.113
91 H GLN 16 H GLN 16 19.539 61.176 61.176
92 HA GLN 16 HA GLN 16 21.839 59.447 59.447
93 1HB GLN 16 1HB GLN 16 22.142 62.192 62.192
94 2HB GLN 16 2HB GLN 16 23.128 61.384 61.384
95 1HG GLN 16 1HG GLN 16 20.484 62.781 62.781
96 2HG GLN 16 2HG GLN 16 21.963 62.971 62.971
97 1HE2 GLN 16 1HE2 GLN 16 19.242 60.652 60.652
98 2HE2 GLN 16 2HE2 GLN 16 18.987 62.008 62.008
99 1HN NH2 17 1HN NH2 17 21.118 61.211 61.211
100 2HN NH2 17 2HN NH2 17 22.809 61.094 61.094
Start of MODEL 3
1 1H ACE 0 1H ACE 0 25.207 60.545 60.545
2 2H ACE 0 2H ACE 0 26.508 60.442 60.442
3 3H ACE 0 3H ACE 0 25.202 59.256 59.256
4 H ASP 1 H ASP 1 26.285 62.143 62.143
5 HA ASP 1 HA ASP 1 23.930 63.616 63.616
6 1HB ASP 1 1HB ASP 1 26.348 64.198 64.198
7 2HB ASP 1 2HB ASP 1 26.081 63.206 63.206
8 H LYS 2 H LYS 2 22.113 63.152 63.152
9 HA LYS 2 HA LYS 2 21.851 60.582 60.582
10 1HB LYS 2 1HB LYS 2 20.004 61.819 61.819
11 2HB LYS 2 2HB LYS 2 19.916 62.905 62.905
12 1HG LYS 2 1HG LYS 2 19.932 60.202 60.202
13 2HG LYS 2 2HG LYS 2 18.694 60.352 60.352
14 1HD LYS 2 1HD LYS 2 17.556 62.061 62.061
15 2HD LYS 2 2HD LYS 2 18.950 62.412 62.412
16 1HE LYS 2 1HE LYS 2 17.520 59.747 59.747
17 2HE LYS 2 2HE LYS 2 17.058 61.096 61.096
18 1HZ LYS 2 1HZ LYS 2 19.889 60.463 60.463
19 2HZ LYS 2 2HZ LYS 2 18.895 59.291 59.291
20 3HZ LYS 2 3HZ LYS 2 18.900 60.886 60.886
21 H ASP 3 H ASP 3 22.360 63.918 63.918
22 HA ASP 3 HA ASP 3 22.088 63.111 63.111
23 1HB ASP 3 1HB ASP 3 21.715 65.549 65.549
24 2HB ASP 3 2HB ASP 3 22.985 65.809 65.809
25 H GLY 4 H GLY 4 24.503 63.588 63.588
26 1HA GLY 4 1HA GLY 4 26.816 63.126 63.126
27 2HA GLY 4 2HA GLY 4 26.592 62.816 62.816
28 H ASP 5 H ASP 5 25.612 65.780 65.780
29 HA ASP 5 HA ASP 5 27.444 67.275 67.275
30 1HB ASP 5 1HB ASP 5 26.059 69.209 69.209
31 2HB ASP 5 2HB ASP 5 24.992 67.856 67.856
32 H GLY 6 H GLY 6 26.874 66.514 66.514
33 1HA GLY 6 1HA GLY 6 28.929 66.705 66.705
34 2HA GLY 6 2HA GLY 6 29.163 68.302 68.302
35 H TYR 7 H TYR 7 25.901 67.985 67.985
36 HA TYR 7 HA TYR 7 25.885 68.912 68.912
37 1HB TYR 7 1HB TYR 7 24.727 70.348 70.348
38 2HB TYR 7 2HB TYR 7 24.204 70.686 70.686
39 HD1 TYR 7 HD1 TYR 7 26.386 70.793 70.793
40 HD2 TYR 7 HD2 TYR 7 26.316 71.834 71.834
41 HE1 TYR 7 HE1 TYR 7 28.365 72.250 72.250
42 HE2 TYR 7 HE2 TYR 7 28.295 73.292 73.292
43 HH TYR 7 HH TYR 7 30.216 73.175 73.175
44 H ILE 8 H ILE 8 24.081 68.260 68.260
45 HA ILE 8 HA ILE 8 22.108 66.587 66.587
46 HB ILE 8 HB ILE 8 23.133 66.461 66.461
47 1HG1 ILE 8 1HG1 ILE 8 23.157 63.944 63.944
48 2HG1 ILE 8 2HG1 ILE 8 23.535 64.986 64.986
49 1HG2 ILE 8 1HG2 ILE 8 20.592 66.159 66.159
50 2HG2 ILE 8 2HG2 ILE 8 20.952 64.717 64.717
51 3HG2 ILE 8 3HG2 ILE 8 21.483 64.825 64.825
52 1HD1 ILE 8 1HD1 ILE 8 25.131 66.120 66.120
53 2HD1 ILE 8 2HD1 ILE 8 25.103 64.470 64.470
54 3HD1 ILE 8 3HD1 ILE 8 25.664 64.785 64.785
55 H SER 9 H SER 9 20.024 67.320 67.320
56 HA SER 9 HA SER 9 19.351 69.754 69.754
57 1HB SER 9 1HB SER 9 17.667 68.126 68.126
58 2HB SER 9 2HB SER 9 17.267 69.722 69.722
59 HG SER 9 HG SER 9 19.600 70.086 70.086
60 H ALA 10 H ALA 10 16.826 69.600 69.600
61 HA ALA 10 HA ALA 10 16.841 67.964 67.964
62 1HB ALA 10 1HB ALA 10 14.509 69.251 69.251
63 2HB ALA 10 2HB ALA 10 14.433 68.574 68.574
64 3HB ALA 10 3HB ALA 10 15.453 69.975 69.975
65 H ALA 11 H ALA 11 14.416 67.657 67.657
66 HA ALA 11 HA ALA 11 13.665 65.010 65.010
67 1HB ALA 11 1HB ALA 11 13.148 66.882 66.882
68 2HB ALA 11 2HB ALA 11 13.640 65.379 65.379
69 3HB ALA 11 3HB ALA 11 12.277 65.387 65.387
70 H GLU 12 H GLU 12 16.546 66.220 66.220
71 HA GLU 12 HA GLU 12 17.319 63.741 63.741
72 1HB GLU 12 1HB GLU 12 18.157 66.291 66.291
73 2HB GLU 12 2HB GLU 12 19.385 65.705 65.705
74 1HG GLU 12 1HG GLU 12 20.078 63.986 63.986
75 2HG GLU 12 2HG GLU 12 18.661 64.211 64.211
76 H ALA 13 H ALA 13 18.673 65.453 65.453
77 HA ALA 13 HA ALA 13 20.324 63.425 63.425
78 1HB ALA 13 1HB ALA 13 18.961 65.766 65.766
79 2HB ALA 13 2HB ALA 13 19.217 64.480 64.480
80 3HB ALA 13 3HB ALA 13 20.590 65.163 65.163
81 H ALA 14 H ALA 14 16.847 63.868 63.868
82 HA ALA 14 HA ALA 14 16.306 61.812 61.812
83 1HB ALA 14 1HB ALA 14 14.813 63.272 63.272
84 2HB ALA 14 2HB ALA 14 14.307 61.583 61.583
85 3HB ALA 14 3HB ALA 14 14.233 62.557 62.557
86 H ALA 15 H ALA 15 17.072 61.652 61.652
87 HA ALA 15 HA ALA 15 16.798 58.705 58.705
88 1HB ALA 15 1HB ALA 15 17.137 60.847 60.847
89 2HB ALA 15 2HB ALA 15 17.790 59.255 59.255
90 3HB ALA 15 3HB ALA 15 16.076 59.438 59.438
91 H GLN 16 H GLN 16 19.255 61.218 61.218
92 HA GLN 16 HA GLN 16 21.443 59.333 59.333
93 1HB GLN 16 1HB GLN 16 21.839 62.072 62.072
94 2HB GLN 16 2HB GLN 16 22.873 61.188 61.188
95 1HG GLN 16 1HG GLN 16 20.399 62.783 62.783
96 2HG GLN 16 2HG GLN 16 21.925 62.750 62.750
97 1HE2 GLN 16 1HE2 GLN 16 18.949 60.548 60.548
98 2HE2 GLN 16 2HE2 GLN 16 18.764 61.872 61.872
99 1HN NH2 17 1HN NH2 17 22.857 58.397 58.397
100 2HN NH2 17 2HN NH2 17 21.461 57.892 57.892
Start of MODEL 4
1 1H ACE 0 1H ACE 0 24.775 59.787 59.787
2 2H ACE 0 2H ACE 0 26.259 60.674 60.674
3 3H ACE 0 3H ACE 0 25.802 59.292 59.292
4 H ASP 1 H ASP 1 26.284 62.099 62.099
5 HA ASP 1 HA ASP 1 23.908 63.534 63.534
6 1HB ASP 1 1HB ASP 1 26.324 64.227 64.227
7 2HB ASP 1 2HB ASP 1 26.155 63.293 63.293
8 H LYS 2 H LYS 2 22.169 63.136 63.136
9 HA LYS 2 HA LYS 2 21.985 60.607 60.607
10 1HB LYS 2 1HB LYS 2 20.084 61.944 61.944
11 2HB LYS 2 2HB LYS 2 20.064 62.909 62.909
12 1HG LYS 2 1HG LYS 2 19.898 60.680 60.680
13 2HG LYS 2 2HG LYS 2 19.525 59.951 59.951
14 1HD LYS 2 1HD LYS 2 17.562 61.299 61.299
15 2HD LYS 2 2HD LYS 2 18.008 62.327 62.327
16 1HE LYS 2 1HE LYS 2 17.357 60.769 60.769
17 2HE LYS 2 2HE LYS 2 17.726 59.401 59.401
18 1HZ LYS 2 1HZ LYS 2 15.482 61.272 61.272
19 2HZ LYS 2 2HZ LYS 2 15.310 59.830 59.830
20 3HZ LYS 2 3HZ LYS 2 15.771 59.773 59.773
21 H ASP 3 H ASP 3 22.915 63.838 63.838
22 HA ASP 3 HA ASP 3 22.769 63.099 63.099
23 1HB ASP 3 1HB ASP 3 22.946 65.794 65.794
24 2HB ASP 3 2HB ASP 3 23.074 65.576 65.576
25 H GLY 4 H GLY 4 24.919 63.112 63.112
26 1HA GLY 4 1HA GLY 4 27.262 62.990 62.990
27 2HA GLY 4 2HA GLY 4 27.203 62.713 62.713
28 H ASP 5 H ASP 5 25.878 65.586 65.586
29 HA ASP 5 HA ASP 5 27.771 67.221 67.221
30 1HB ASP 5 1HB ASP 5 26.263 69.055 69.055
31 2HB ASP 5 2HB ASP 5 25.266 67.653 67.653
32 H GLY 6 H GLY 6 27.105 66.286 66.286
33 1HA GLY 6 1HA GLY 6 28.973 66.531 66.531
34 2HA GLY 6 2HA GLY 6 29.311 68.101 68.101
35 H TYR 7 H TYR 7 26.021 67.866 67.866
36 HA TYR 7 HA TYR 7 25.836 68.935 68.935
37 1HB TYR 7 1HB TYR 7 24.658 70.171 70.171
38 2HB TYR 7 2HB TYR 7 24.250 70.673 70.673
39 HD1 TYR 7 HD1 TYR 7 25.964 71.709 71.709
40 HD2 TYR 7 HD2 TYR 7 26.780 70.741 70.741
41 HE1 TYR 7 HE1 TYR 7 27.970 73.167 73.167
42 HE2 TYR 7 HE2 TYR 7 28.786 72.198 72.198
43 HH TYR 7 HH TYR 7 29.348 74.459 74.459
44 H ILE 8 H ILE 8 24.118 68.108 68.108
45 HA ILE 8 HA ILE 8 22.139 66.489 66.489
46 HB ILE 8 HB ILE 8 23.117 66.305 66.305
47 1HG1 ILE 8 1HG1 ILE 8 23.128 63.815 63.815
48 2HG1 ILE 8 2HG1 ILE 8 23.629 64.927 64.927
49 1HG2 ILE 8 1HG2 ILE 8 20.600 66.015 66.015
50 2HG2 ILE 8 2HG2 ILE 8 20.931 64.641 64.641
51 3HG2 ILE 8 3HG2 ILE 8 21.459 64.609 64.609
52 1HD1 ILE 8 1HD1 ILE 8 24.844 64.973 64.973
53 2HD1 ILE 8 2HD1 ILE 8 25.510 64.001 64.001
54 3HD1 ILE 8 3HD1 ILE 8 25.450 65.758 65.758
55 H SER 9 H SER 9 20.073 67.277 67.277
56 HA SER 9 HA SER 9 19.427 69.698 69.698
57 1HB SER 9 1HB SER 9 17.749 68.034 68.034
58 2HB SER 9 2HB SER 9 17.259 69.579 69.579
59 HG SER 9 HG SER 9 19.724 69.334 69.334
60 H ALA 10 H ALA 10 16.915 69.561 69.561
61 HA ALA 10 HA ALA 10 17.014 67.987 67.987
62 1HB ALA 10 1HB ALA 10 14.660 69.290 69.290
63 2HB ALA 10 2HB ALA 10 14.596 68.608 68.608
64 3HB ALA 10 3HB ALA 10 15.636 69.993 69.993
65 H ALA 11 H ALA 11 14.589 67.625 67.625
66 HA ALA 11 HA ALA 11 13.838 64.983 64.983
67 1HB ALA 11 1HB ALA 11 12.723 66.671 66.671
68 2HB ALA 11 2HB ALA 11 13.757 65.891 65.891
69 3HB ALA 11 3HB ALA 11 12.573 64.940 64.940
70 H GLU 12 H GLU 12 16.667 66.150 66.150
71 HA GLU 12 HA GLU 12 17.315 63.741 63.741
72 1HB GLU 12 1HB GLU 12 18.235 66.246 66.246
73 2HB GLU 12 2HB GLU 12 19.447 65.605 65.605
74 1HG GLU 12 1HG GLU 12 20.162 63.965 63.965
75 2HG GLU 12 2HG GLU 12 18.719 64.157 64.157
76 H ALA 13 H ALA 13 18.733 65.187 65.187
77 HA ALA 13 HA ALA 13 20.402 63.107 63.107
78 1HB ALA 13 1HB ALA 13 18.689 65.015 65.015
79 2HB ALA 13 2HB ALA 13 19.692 63.814 63.814
80 3HB ALA 13 3HB ALA 13 20.438 65.034 65.034
81 H ALA 14 H ALA 14 16.914 63.396 63.396
82 HA ALA 14 HA ALA 14 16.382 61.191 61.191
83 1HB ALA 14 1HB ALA 14 14.901 62.528 62.528
84 2HB ALA 14 2HB ALA 14 14.311 60.956 60.956
85 3HB ALA 14 3HB ALA 14 14.425 62.297 62.297
86 H ALA 15 H ALA 15 17.135 61.298 61.298
87 HA ALA 15 HA ALA 15 16.972 58.347 58.347
88 1HB ALA 15 1HB ALA 15 17.181 60.621 60.621
89 2HB ALA 15 2HB ALA 15 17.900 59.088 59.088
90 3HB ALA 15 3HB ALA 15 16.186 59.167 59.167
91 H GLN 16 H GLN 16 19.305 60.910 60.910
92 HA GLN 16 HA GLN 16 21.578 59.215 59.215
93 1HB GLN 16 1HB GLN 16 21.779 61.845 61.845
94 2HB GLN 16 2HB GLN 16 22.930 61.127 61.127
95 1HG GLN 16 1HG GLN 16 20.447 62.679 62.679
96 2HG GLN 16 2HG GLN 16 21.982 62.674 62.674
97 1HE2 GLN 16 1HE2 GLN 16 19.033 60.654 60.654
98 2HE2 GLN 16 2HE2 GLN 16 18.877 61.989 61.989
99 1HN NH2 17 1HN NH2 17 22.447 60.009 60.009
100 2HN NH2 17 2HN NH2 17 21.244 61.037 61.037
Start of MODEL 5
1 1H ACE 0 1H ACE 0 24.997 59.509 59.509
2 2H ACE 0 2H ACE 0 26.348 60.635 60.635
3 3H ACE 0 3H ACE 0 26.158 59.345 59.345
4 H ASP 1 H ASP 1 26.355 62.055 62.055
5 HA ASP 1 HA ASP 1 23.928 63.447 63.447
6 1HB ASP 1 1HB ASP 1 26.378 64.092 64.092
7 2HB ASP 1 2HB ASP 1 25.977 63.325 63.325
8 H LYS 2 H LYS 2 22.157 63.112 63.112
9 HA LYS 2 HA LYS 2 21.915 60.578 60.578
10 1HB LYS 2 1HB LYS 2 19.998 61.582 61.582
11 2HB LYS 2 2HB LYS 2 20.043 62.964 62.964
12 1HG LYS 2 1HG LYS 2 18.943 61.835 61.835
13 2HG LYS 2 2HG LYS 2 19.995 60.430 60.430
14 1HD LYS 2 1HD LYS 2 18.682 59.533 59.533
15 2HD LYS 2 2HD LYS 2 17.810 61.051 61.051
16 1HE LYS 2 1HE LYS 2 16.265 60.409 60.409
17 2HE LYS 2 2HE LYS 2 17.518 60.210 60.210
18 1HZ LYS 2 1HZ LYS 2 17.039 58.162 58.162
19 2HZ LYS 2 2HZ LYS 2 16.161 58.175 58.175
20 3HZ LYS 2 3HZ LYS 2 17.851 57.996 57.996
21 H ASP 3 H ASP 3 22.446 63.944 63.944
22 HA ASP 3 HA ASP 3 22.255 63.200 63.200
23 1HB ASP 3 1HB ASP 3 22.486 65.824 65.824
24 2HB ASP 3 2HB ASP 3 22.747 65.724 65.724
25 H GLY 4 H GLY 4 24.592 63.392 63.392
26 1HA GLY 4 1HA GLY 4 26.927 63.151 63.151
27 2HA GLY 4 2HA GLY 4 26.744 62.783 62.783
28 H ASP 5 H ASP 5 25.827 65.741 65.741
29 HA ASP 5 HA ASP 5 27.553 67.258 67.258
30 1HB ASP 5 1HB ASP 5 26.110 69.158 69.158
31 2HB ASP 5 2HB ASP 5 25.084 67.768 67.768
32 H GLY 6 H GLY 6 26.976 66.568 66.568
33 1HA GLY 6 1HA GLY 6 29.020 66.840 66.840
34 2HA GLY 6 2HA GLY 6 29.212 68.429 68.429
35 H TYR 7 H TYR 7 25.958 67.998 67.998
36 HA TYR 7 HA TYR 7 25.869 68.990 68.990
37 1HB TYR 7 1HB TYR 7 25.031 70.414 70.414
38 2HB TYR 7 2HB TYR 7 23.980 70.564 70.564
39 HD1 TYR 7 HD1 TYR 7 27.611 70.728 70.728
40 HD2 TYR 7 HD2 TYR 7 24.467 72.180 72.180
41 HE1 TYR 7 HE1 TYR 7 29.177 72.372 72.372
42 HE2 TYR 7 HE2 TYR 7 26.032 73.824 73.824
43 HH TYR 7 HH TYR 7 28.588 74.897 74.897
44 H ILE 8 H ILE 8 24.116 68.230 68.230
45 HA ILE 8 HA ILE 8 22.162 66.558 66.558
46 HB ILE 8 HB ILE 8 23.226 66.369 66.369
47 1HG1 ILE 8 1HG1 ILE 8 23.146 63.878 63.878
48 2HG1 ILE 8 2HG1 ILE 8 23.667 65.012 65.012
49 1HG2 ILE 8 1HG2 ILE 8 20.704 66.089 66.089
50 2HG2 ILE 8 2HG2 ILE 8 20.976 64.718 64.718
51 3HG2 ILE 8 3HG2 ILE 8 21.588 64.678 64.678
52 1HD1 ILE 8 1HD1 ILE 8 25.279 65.923 65.923
53 2HD1 ILE 8 2HD1 ILE 8 24.974 64.383 64.383
54 3HD1 ILE 8 3HD1 ILE 8 25.692 64.412 64.412
55 H SER 9 H SER 9 20.119 67.375 67.375
56 HA SER 9 HA SER 9 19.431 69.751 69.751
57 1HB SER 9 1HB SER 9 17.749 68.064 68.064
58 2HB SER 9 2HB SER 9 17.283 69.629 69.629
59 HG SER 9 HG SER 9 18.260 70.326 70.326
60 H ALA 10 H ALA 10 16.924 69.570 69.570
61 HA ALA 10 HA ALA 10 17.037 67.967 67.967
62 1HB ALA 10 1HB ALA 10 15.528 70.064 70.064
63 2HB ALA 10 2HB ALA 10 14.380 68.780 68.780
64 3HB ALA 10 3HB ALA 10 15.016 68.938 68.938
65 H ALA 11 H ALA 11 14.557 67.630 67.630
66 HA ALA 11 HA ALA 11 13.826 64.983 64.983
67 1HB ALA 11 1HB ALA 11 13.267 66.847 66.847
68 2HB ALA 11 2HB ALA 11 13.670 65.302 65.302
69 3HB ALA 11 3HB ALA 11 12.362 65.395 65.395
70 H GLU 12 H GLU 12 16.661 66.189 66.189
71 HA GLU 12 HA GLU 12 17.382 63.733 63.733
72 1HB GLU 12 1HB GLU 12 18.247 66.268 66.268
73 2HB GLU 12 2HB GLU 12 19.482 65.656 65.656
74 1HG GLU 12 1HG GLU 12 20.170 63.980 63.980
75 2HG GLU 12 2HG GLU 12 18.724 64.180 64.180
76 H ALA 13 H ALA 13 18.791 65.353 65.353
77 HA ALA 13 HA ALA 13 20.446 63.293 63.293
78 1HB ALA 13 1HB ALA 13 18.738 65.214 65.214
79 2HB ALA 13 2HB ALA 13 19.987 64.191 64.191
80 3HB ALA 13 3HB ALA 13 20.426 65.432 65.432
81 H ALA 14 H ALA 14 16.975 63.704 63.704
82 HA ALA 14 HA ALA 14 16.426 61.598 61.598
83 1HB ALA 14 1HB ALA 14 14.898 63.289 63.289
84 2HB ALA 14 2HB ALA 14 14.566 61.709 61.709
85 3HB ALA 14 3HB ALA 14 14.256 61.990 61.990
86 H ALA 15 H ALA 15 17.114 61.544 61.544
87 HA ALA 15 HA ALA 15 16.853 58.597 58.597
88 1HB ALA 15 1HB ALA 15 17.111 60.787 60.787
89 2HB ALA 15 2HB ALA 15 17.766 59.210 59.210
90 3HB ALA 15 3HB ALA 15 16.064 59.368 59.368
91 H GLN 16 H GLN 16 19.316 61.125 61.125
92 HA GLN 16 HA GLN 16 21.501 59.308 59.308
93 1HB GLN 16 1HB GLN 16 21.824 61.952 61.952
94 2HB GLN 16 2HB GLN 16 22.933 61.166 61.166
95 1HG GLN 16 1HG GLN 16 20.487 62.783 62.783
96 2HG GLN 16 2HG GLN 16 22.031 62.752 62.752
97 1HE2 GLN 16 1HE2 GLN 16 19.000 60.448 60.448
98 2HE2 GLN 16 2HE2 GLN 16 18.800 61.562 61.562
99 1HN NH2 17 1HN NH2 17 20.868 59.733 59.733
100 2HN NH2 17 2HN NH2 17 19.635 59.511 59.511
Start of MODEL 6
1 1H ACE 0 1H ACE 0 26.285 60.941 60.941
2 2H ACE 0 2H ACE 0 26.246 59.649 59.649
3 3H ACE 0 3H ACE 0 24.987 59.748 59.748
4 H ASP 1 H ASP 1 26.379 62.318 62.318
5 HA ASP 1 HA ASP 1 23.923 63.626 63.626
6 1HB ASP 1 1HB ASP 1 26.102 64.668 64.668
7 2HB ASP 1 2HB ASP 1 26.392 63.512 63.512
8 H LYS 2 H LYS 2 22.278 63.280 63.280
9 HA LYS 2 HA LYS 2 22.352 60.734 60.734
10 1HB LYS 2 1HB LYS 2 20.302 61.135 61.135
11 2HB LYS 2 2HB LYS 2 20.183 62.777 62.777
12 1HG LYS 2 1HG LYS 2 19.821 61.939 61.939
13 2HG LYS 2 2HG LYS 2 20.101 60.282 60.282
14 1HD LYS 2 1HD LYS 2 18.101 60.266 60.266
15 2HD LYS 2 2HD LYS 2 17.899 62.010 62.010
16 1HE LYS 2 1HE LYS 2 17.924 60.185 60.185
17 2HE LYS 2 2HE LYS 2 16.440 60.517 60.517
18 1HZ LYS 2 1HZ LYS 2 17.524 62.974 62.974
19 2HZ LYS 2 2HZ LYS 2 17.909 62.202 62.202
20 3HZ LYS 2 3HZ LYS 2 16.290 62.304 62.304
21 H ASP 3 H ASP 3 22.997 64.031 64.031
22 HA ASP 3 HA ASP 3 22.485 63.615 63.615
23 1HB ASP 3 1HB ASP 3 21.966 65.807 65.807
24 2HB ASP 3 2HB ASP 3 23.283 66.306 66.306
25 H GLY 4 H GLY 4 24.933 63.196 63.196
26 1HA GLY 4 1HA GLY 4 27.277 63.220 63.220
27 2HA GLY 4 2HA GLY 4 26.982 63.022 63.022
28 H ASP 5 H ASP 5 25.755 65.791 65.791
29 HA ASP 5 HA ASP 5 27.471 67.533 67.533
30 1HB ASP 5 1HB ASP 5 25.940 69.307 69.307
31 2HB ASP 5 2HB ASP 5 24.958 67.885 67.885
32 H GLY 6 H GLY 6 26.904 66.660 66.660
33 1HA GLY 6 1HA GLY 6 28.925 66.839 66.839
34 2HA GLY 6 2HA GLY 6 29.206 68.422 68.422
35 H TYR 7 H TYR 7 25.904 67.942 67.942
36 HA TYR 7 HA TYR 7 25.895 69.048 69.048
37 1HB TYR 7 1HB TYR 7 24.559 70.336 70.336
38 2HB TYR 7 2HB TYR 7 24.271 70.810 70.810
39 HD1 TYR 7 HD1 TYR 7 26.167 71.709 71.709
40 HD2 TYR 7 HD2 TYR 7 26.534 71.020 71.020
41 HE1 TYR 7 HE1 TYR 7 28.181 73.156 73.156
42 HE2 TYR 7 HE2 TYR 7 28.548 72.468 72.468
43 HH TYR 7 HH TYR 7 30.360 73.170 73.170
44 H ILE 8 H ILE 8 24.116 68.389 68.389
45 HA ILE 8 HA ILE 8 22.142 66.655 66.655
46 HB ILE 8 HB ILE 8 23.240 66.580 66.580
47 1HG1 ILE 8 1HG1 ILE 8 23.159 64.041 64.041
48 2HG1 ILE 8 2HG1 ILE 8 23.609 65.101 65.101
49 1HG2 ILE 8 1HG2 ILE 8 20.698 66.296 66.296
50 2HG2 ILE 8 2HG2 ILE 8 20.995 64.850 64.850
51 3HG2 ILE 8 3HG2 ILE 8 21.598 64.947 64.947
52 1HD1 ILE 8 1HD1 ILE 8 24.963 65.149 65.149
53 2HD1 ILE 8 2HD1 ILE 8 25.570 64.234 64.234
54 3HD1 ILE 8 3HD1 ILE 8 25.476 65.993 65.993
55 H SER 9 H SER 9 20.082 67.454 67.454
56 HA SER 9 HA SER 9 19.427 69.886 69.886
57 1HB SER 9 1HB SER 9 17.650 68.215 68.215
58 2HB SER 9 2HB SER 9 17.332 69.855 69.855
59 HG SER 9 HG SER 9 18.302 70.288 70.288
60 H ALA 10 H ALA 10 17.075 69.855 69.855
61 HA ALA 10 HA ALA 10 17.131 68.173 68.173
62 1HB ALA 10 1HB ALA 10 14.920 69.760 69.760
63 2HB ALA 10 2HB ALA 10 14.637 68.819 68.819
64 3HB ALA 10 3HB ALA 10 15.806 70.139 70.139
65 H ALA 11 H ALA 11 14.687 68.003 68.003
66 HA ALA 11 HA ALA 11 13.770 65.399 65.399
67 1HB ALA 11 1HB ALA 11 12.958 67.247 67.247
68 2HB ALA 11 2HB ALA 11 13.843 66.191 66.191
69 3HB ALA 11 3HB ALA 11 12.505 65.549 65.549
70 H GLU 12 H GLU 12 16.675 66.458 66.458
71 HA GLU 12 HA GLU 12 17.255 63.950 63.950
72 1HB GLU 12 1HB GLU 12 18.185 66.435 66.435
73 2HB GLU 12 2HB GLU 12 19.427 65.851 65.851
74 1HG GLU 12 1HG GLU 12 20.006 64.046 64.046
75 2HG GLU 12 2HG GLU 12 18.589 64.326 64.326
76 H ALA 13 H ALA 13 18.766 65.589 65.589
77 HA ALA 13 HA ALA 13 20.432 63.542 63.542
78 1HB ALA 13 1HB ALA 13 20.156 65.834 65.834
79 2HB ALA 13 2HB ALA 13 18.702 65.220 65.220
80 3HB ALA 13 3HB ALA 13 20.273 64.508 64.508
81 H ALA 14 H ALA 14 16.962 63.933 63.933
82 HA ALA 14 HA ALA 14 16.444 61.818 61.818
83 1HB ALA 14 1HB ALA 14 14.884 62.835 62.835
84 2HB ALA 14 2HB ALA 14 14.266 61.552 61.552
85 3HB ALA 14 3HB ALA 14 14.584 63.152 63.152
86 H ALA 15 H ALA 15 17.189 61.773 61.773
87 HA ALA 15 HA ALA 15 16.942 58.826 58.826
88 1HB ALA 15 1HB ALA 15 17.465 60.994 60.994
89 2HB ALA 15 2HB ALA 15 17.781 59.303 59.303
90 3HB ALA 15 3HB ALA 15 16.150 59.819 59.819
91 H GLN 16 H GLN 16 19.331 61.314 61.314
92 HA GLN 16 HA GLN 16 21.558 59.474 59.474
93 1HB GLN 16 1HB GLN 16 21.959 62.196 62.196
94 2HB GLN 16 2HB GLN 16 22.959 61.338 61.338
95 1HG GLN 16 1HG GLN 16 20.432 62.900 62.900
96 2HG GLN 16 2HG GLN 16 21.952 62.962 62.962
97 1HE2 GLN 16 1HE2 GLN 16 19.164 60.887 60.887
98 2HE2 GLN 16 2HE2 GLN 16 19.003 62.311 62.311
99 1HN NH2 17 1HN NH2 17 21.702 57.903 57.903
100 2HN NH2 17 2HN NH2 17 23.114 58.815 58.815
Start of MODEL 7
1 1H ACE 0 1H ACE 0 25.912 60.756 60.756
2 2H ACE 0 2H ACE 0 26.570 59.900 59.900
3 3H ACE 0 3H ACE 0 25.104 59.312 59.312
4 H ASP 1 H ASP 1 26.379 62.164 62.164
5 HA ASP 1 HA ASP 1 23.926 63.470 63.470
6 1HB ASP 1 1HB ASP 1 26.402 64.119 64.119
7 2HB ASP 1 2HB ASP 1 25.993 63.334 63.334
8 H LYS 2 H LYS 2 22.212 63.043 63.043
9 HA LYS 2 HA LYS 2 22.005 60.430 60.430
10 1HB LYS 2 1HB LYS 2 20.194 62.309 62.309
11 2HB LYS 2 2HB LYS 2 20.097 62.483 62.483
12 1HG LYS 2 1HG LYS 2 20.127 59.710 59.710
13 2HG LYS 2 2HG LYS 2 18.649 60.651 60.651
14 1HD LYS 2 1HD LYS 2 20.048 60.364 60.364
15 2HD LYS 2 2HD LYS 2 18.768 59.273 59.273
16 1HE LYS 2 1HE LYS 2 17.170 61.050 61.050
17 2HE LYS 2 2HE LYS 2 18.424 62.278 62.278
18 1HZ LYS 2 1HZ LYS 2 18.604 60.502 60.502
19 2HZ LYS 2 2HZ LYS 2 16.983 60.981 60.981
20 3HZ LYS 2 3HZ LYS 2 18.202 62.152 62.152
21 H ASP 3 H ASP 3 22.727 63.665 63.665
22 HA ASP 3 HA ASP 3 22.824 62.597 62.597
23 1HB ASP 3 1HB ASP 3 22.439 65.252 65.252
24 2HB ASP 3 2HB ASP 3 23.503 65.250 65.250
25 H GLY 4 H GLY 4 24.862 63.142 63.142
26 1HA GLY 4 1HA GLY 4 27.194 62.880 62.880
27 2HA GLY 4 2HA GLY 4 27.220 62.457 62.457
28 H ASP 5 H ASP 5 25.890 65.449 65.449
29 HA ASP 5 HA ASP 5 27.797 66.956 66.956
30 1HB ASP 5 1HB ASP 5 26.319 68.831 68.831
31 2HB ASP 5 2HB ASP 5 25.293 67.426 67.426
32 H GLY 6 H GLY 6 27.095 66.248 66.248
33 1HA GLY 6 1HA GLY 6 29.040 66.529 66.529
34 2HA GLY 6 2HA GLY 6 29.313 68.095 68.095
35 H TYR 7 H TYR 7 26.047 67.858 67.858
36 HA TYR 7 HA TYR 7 25.886 68.866 68.866
37 1HB TYR 7 1HB TYR 7 24.591 70.191 70.191
38 2HB TYR 7 2HB TYR 7 24.462 70.720 70.720
39 HD1 TYR 7 HD1 TYR 7 26.686 71.236 71.236
40 HD2 TYR 7 HD2 TYR 7 26.341 70.984 70.984
41 HE1 TYR 7 HE1 TYR 7 28.784 72.535 72.535
42 HE2 TYR 7 HE2 TYR 7 28.440 72.283 72.283
43 HH TYR 7 HH TYR 7 30.276 73.365 73.365
44 H ILE 8 H ILE 8 24.152 68.094 68.094
45 HA ILE 8 HA ILE 8 22.144 66.486 66.486
46 HB ILE 8 HB ILE 8 23.101 66.399 66.399
47 1HG1 ILE 8 1HG1 ILE 8 23.063 63.859 63.859
48 2HG1 ILE 8 2HG1 ILE 8 23.628 64.921 64.921
49 1HG2 ILE 8 1HG2 ILE 8 20.570 66.138 66.138
50 2HG2 ILE 8 2HG2 ILE 8 20.912 64.686 64.686
51 3HG2 ILE 8 3HG2 ILE 8 21.411 64.784 64.784
52 1HD1 ILE 8 1HD1 ILE 8 24.790 65.310 65.310
53 2HD1 ILE 8 2HD1 ILE 8 25.317 63.901 63.901
54 3HD1 ILE 8 3HD1 ILE 8 25.543 65.521 65.521
55 H SER 9 H SER 9 20.070 67.297 67.297
56 HA SER 9 HA SER 9 19.475 69.787 69.787
57 1HB SER 9 1HB SER 9 17.759 68.088 68.088
58 2HB SER 9 2HB SER 9 17.295 69.660 69.660
59 HG SER 9 HG SER 9 18.297 69.637 69.637
60 H ALA 10 H ALA 10 16.872 69.624 69.624
61 HA ALA 10 HA ALA 10 16.984 68.200 68.200
62 1HB ALA 10 1HB ALA 10 15.360 70.168 70.168
63 2HB ALA 10 2HB ALA 10 14.277 68.781 68.781
64 3HB ALA 10 3HB ALA 10 15.113 69.383 69.383
65 H ALA 11 H ALA 11 14.485 67.673 67.673
66 HA ALA 11 HA ALA 11 13.862 65.037 65.037
67 1HB ALA 11 1HB ALA 11 12.566 66.570 66.570
68 2HB ALA 11 2HB ALA 11 13.650 65.959 65.959
69 3HB ALA 11 3HB ALA 11 12.593 64.848 64.848
70 H GLU 12 H GLU 12 16.578 66.227 66.227
71 HA GLU 12 HA GLU 12 17.228 63.788 63.788
72 1HB GLU 12 1HB GLU 12 18.106 66.277 66.277
73 2HB GLU 12 2HB GLU 12 19.336 65.735 65.735
74 1HG GLU 12 1HG GLU 12 20.045 63.979 63.979
75 2HG GLU 12 2HG GLU 12 18.648 64.205 64.205
76 H ALA 13 H ALA 13 18.658 65.306 65.306
77 HA ALA 13 HA ALA 13 20.381 63.244 63.244
78 1HB ALA 13 1HB ALA 13 19.759 65.576 65.576
79 2HB ALA 13 2HB ALA 13 18.724 64.552 64.552
80 3HB ALA 13 3HB ALA 13 20.465 64.270 64.270
81 H ALA 14 H ALA 14 16.905 63.554 63.554
82 HA ALA 14 HA ALA 14 16.446 61.365 61.365
83 1HB ALA 14 1HB ALA 14 14.776 63.066 63.066
84 2HB ALA 14 2HB ALA 14 14.633 61.782 61.782
85 3HB ALA 14 3HB ALA 14 14.213 61.465 61.465
86 H ALA 15 H ALA 15 17.084 61.454 61.454
87 HA ALA 15 HA ALA 15 16.870 58.507 58.507
88 1HB ALA 15 1HB ALA 15 17.133 60.771 60.771
89 2HB ALA 15 2HB ALA 15 17.715 59.182 59.182
90 3HB ALA 15 3HB ALA 15 16.028 59.396 59.396
91 H GLN 16 H GLN 16 19.264 61.044 61.044
92 HA GLN 16 HA GLN 16 21.496 59.365 59.365
93 1HB GLN 16 1HB GLN 16 21.683 61.895 61.895
94 2HB GLN 16 2HB GLN 16 22.890 61.222 61.222
95 1HG GLN 16 1HG GLN 16 20.447 62.814 62.814
96 2HG GLN 16 2HG GLN 16 22.025 62.837 62.837
97 1HE2 GLN 16 1HE2 GLN 16 19.087 60.680 60.680
98 2HE2 GLN 16 2HE2 GLN 16 18.824 61.804 61.804
99 1HN NH2 17 1HN NH2 17 20.311 58.810 58.810
100 2HN NH2 17 2HN NH2 17 20.152 57.869 57.869
Start of MODEL 8
1 1H ACE 0 1H ACE 0 25.162 59.653 59.653
2 2H ACE 0 2H ACE 0 26.159 61.066 61.066
3 3H ACE 0 3H ACE 0 26.587 59.985 59.985
4 H ASP 1 H ASP 1 26.469 62.354 62.354
5 HA ASP 1 HA ASP 1 23.985 63.612 63.612
6 1HB ASP 1 1HB ASP 1 26.365 64.433 64.433
7 2HB ASP 1 2HB ASP 1 26.199 63.495 63.495
8 H LYS 2 H LYS 2 22.278 63.074 63.074
9 HA LYS 2 HA LYS 2 22.330 60.512 60.512
10 1HB LYS 2 1HB LYS 2 20.281 61.051 61.051
11 2HB LYS 2 2HB LYS 2 20.211 62.643 62.643
12 1HG LYS 2 1HG LYS 2 19.960 61.571 61.571
13 2HG LYS 2 2HG LYS 2 19.992 59.986 59.986
14 1HD LYS 2 1HD LYS 2 17.958 60.479 60.479
15 2HD LYS 2 2HD LYS 2 17.961 62.143 62.143
16 1HE LYS 2 1HE LYS 2 17.902 61.131 61.131
17 2HE LYS 2 2HE LYS 2 17.482 59.611 59.611
18 1HZ LYS 2 1HZ LYS 2 15.629 60.798 60.798
19 2HZ LYS 2 2HZ LYS 2 15.992 62.172 62.172
20 3HZ LYS 2 3HZ LYS 2 15.485 60.742 60.742
21 H ASP 3 H ASP 3 22.678 63.883 63.883
22 HA ASP 3 HA ASP 3 22.351 63.299 63.299
23 1HB ASP 3 1HB ASP 3 22.423 65.751 65.751
24 2HB ASP 3 2HB ASP 3 23.054 65.900 65.900
25 H GLY 4 H GLY 4 24.792 63.444 63.444
26 1HA GLY 4 1HA GLY 4 27.103 63.032 63.032
27 2HA GLY 4 2HA GLY 4 26.856 62.943 62.943
28 H ASP 5 H ASP 5 25.645 65.740 65.740
29 HA ASP 5 HA ASP 5 27.675 67.373 67.373
30 1HB ASP 5 1HB ASP 5 26.200 69.233 69.233
31 2HB ASP 5 2HB ASP 5 25.183 67.871 67.871
32 H GLY 6 H GLY 6 27.206 66.038 66.038
33 1HA GLY 6 1HA GLY 6 28.841 66.290 66.290
34 2HA GLY 6 2HA GLY 6 29.246 67.880 67.880
35 H TYR 7 H TYR 7 26.064 68.124 68.124
36 HA TYR 7 HA TYR 7 25.851 68.976 68.976
37 1HB TYR 7 1HB TYR 7 24.615 70.220 70.220
38 2HB TYR 7 2HB TYR 7 24.266 70.725 70.725
39 HD1 TYR 7 HD1 TYR 7 26.081 71.670 71.670
40 HD2 TYR 7 HD2 TYR 7 26.669 70.832 70.832
41 HE1 TYR 7 HE1 TYR 7 28.110 73.094 73.094
42 HE2 TYR 7 HE2 TYR 7 28.698 72.257 72.257
43 HH TYR 7 HH TYR 7 29.678 74.056 74.056
44 H ILE 8 H ILE 8 24.130 68.230 68.230
45 HA ILE 8 HA ILE 8 22.140 66.535 66.535
46 HB ILE 8 HB ILE 8 23.165 66.496 66.496
47 1HG1 ILE 8 1HG1 ILE 8 23.228 63.954 63.954
48 2HG1 ILE 8 2HG1 ILE 8 23.523 64.919 64.919
49 1HG2 ILE 8 1HG2 ILE 8 20.648 66.194 66.194
50 2HG2 ILE 8 2HG2 ILE 8 20.952 64.776 64.776
51 3HG2 ILE 8 3HG2 ILE 8 21.522 64.816 64.816
52 1HD1 ILE 8 1HD1 ILE 8 25.163 66.198 66.198
53 2HD1 ILE 8 2HD1 ILE 8 25.209 64.582 64.582
54 3HD1 ILE 8 3HD1 ILE 8 25.690 64.825 64.825
55 H SER 9 H SER 9 20.075 67.324 67.324
56 HA SER 9 HA SER 9 19.436 69.801 69.801
57 1HB SER 9 1HB SER 9 17.751 68.093 68.093
58 2HB SER 9 2HB SER 9 17.278 69.665 69.665
59 HG SER 9 HG SER 9 18.240 70.262 70.262
60 H ALA 10 H ALA 10 16.870 69.658 69.658
61 HA ALA 10 HA ALA 10 16.935 68.197 68.197
62 1HB ALA 10 1HB ALA 10 15.259 70.131 70.131
63 2HB ALA 10 2HB ALA 10 14.229 68.755 68.755
64 3HB ALA 10 3HB ALA 10 15.179 69.537 69.537
65 H ALA 11 H ALA 11 14.526 67.719 67.719
66 HA ALA 11 HA ALA 11 13.805 65.096 65.096
67 1HB ALA 11 1HB ALA 11 13.188 66.865 66.865
68 2HB ALA 11 2HB ALA 11 13.495 65.250 65.250
69 3HB ALA 11 3HB ALA 11 12.257 65.490 65.490
70 H GLU 12 H GLU 12 16.615 66.242 66.242
71 HA GLU 12 HA GLU 12 17.293 63.779 63.779
72 1HB GLU 12 1HB GLU 12 18.142 66.288 66.288
73 2HB GLU 12 2HB GLU 12 19.382 65.752 65.752
74 1HG GLU 12 1HG GLU 12 20.091 64.003 64.003
75 2HG GLU 12 2HG GLU 12 18.676 64.198 64.198
76 H ALA 13 H ALA 13 18.703 65.393 65.393
77 HA ALA 13 HA ALA 13 20.413 63.346 63.346
78 1HB ALA 13 1HB ALA 13 18.723 65.236 65.236
79 2HB ALA 13 2HB ALA 13 20.010 64.228 64.228
80 3HB ALA 13 3HB ALA 13 20.391 65.486 65.486
81 H ALA 14 H ALA 14 16.942 63.719 63.719
82 HA ALA 14 HA ALA 14 16.452 61.635 61.635
83 1HB ALA 14 1HB ALA 14 14.920 63.075 63.075
84 2HB ALA 14 2HB ALA 14 14.471 61.369 61.369
85 3HB ALA 14 3HB ALA 14 14.352 62.295 62.295
86 H ALA 15 H ALA 15 17.229 61.503 61.503
87 HA ALA 15 HA ALA 15 17.038 58.548 58.548
88 1HB ALA 15 1HB ALA 15 17.157 60.706 60.706
89 2HB ALA 15 2HB ALA 15 18.110 59.282 59.282
90 3HB ALA 15 3HB ALA 15 16.384 59.125 59.125
91 H GLN 16 H GLN 16 19.428 61.146 61.146
92 HA GLN 16 HA GLN 16 21.690 59.379 59.379
93 1HB GLN 16 1HB GLN 16 21.934 62.072 62.072
94 2HB GLN 16 2HB GLN 16 23.033 61.294 61.294
95 1HG GLN 16 1HG GLN 16 20.490 62.788 62.788
96 2HG GLN 16 2HG GLN 16 22.034 62.869 62.869
97 1HE2 GLN 16 1HE2 GLN 16 19.201 60.591 60.591
98 2HE2 GLN 16 2HE2 GLN 16 18.931 61.862 61.862
99 1HN NH2 17 1HN NH2 17 21.921 57.790 57.790
100 2HN NH2 17 2HN NH2 17 20.292 58.235 58.235
Start of MODEL 9
1 1H ACE 0 1H ACE 0 26.527 60.619 60.619
2 2H ACE 0 2H ACE 0 25.822 59.233 59.233
3 3H ACE 0 3H ACE 0 25.038 59.893 59.893
4 H ASP 1 H ASP 1 26.365 62.219 62.219
5 HA ASP 1 HA ASP 1 23.933 63.575 63.575
6 1HB ASP 1 1HB ASP 1 26.185 64.554 64.554
7 2HB ASP 1 2HB ASP 1 26.353 63.510 63.510
8 H LYS 2 H LYS 2 22.235 63.186 63.186
9 HA LYS 2 HA LYS 2 22.238 60.756 60.756
10 1HB LYS 2 1HB LYS 2 20.176 61.299 61.299
11 2HB LYS 2 2HB LYS 2 20.202 62.947 62.947
12 1HG LYS 2 1HG LYS 2 19.328 62.323 62.323
13 2HG LYS 2 2HG LYS 2 20.346 60.886 60.886
14 1HD LYS 2 1HD LYS 2 18.306 60.725 60.725
15 2HD LYS 2 2HD LYS 2 17.629 60.873 60.873
16 1HE LYS 2 1HE LYS 2 17.991 58.651 58.651
17 2HE LYS 2 2HE LYS 2 19.703 59.055 59.055
18 1HZ LYS 2 1HZ LYS 2 19.860 58.904 58.904
19 2HZ LYS 2 2HZ LYS 2 18.229 58.434 58.434
20 3HZ LYS 2 3HZ LYS 2 19.368 57.436 57.436
21 H ASP 3 H ASP 3 22.714 64.176 64.176
22 HA ASP 3 HA ASP 3 22.492 63.774 63.774
23 1HB ASP 3 1HB ASP 3 22.987 66.262 66.262
24 2HB ASP 3 2HB ASP 3 22.878 66.246 66.246
25 H GLY 4 H GLY 4 24.805 63.213 63.213
26 1HA GLY 4 1HA GLY 4 27.142 63.021 63.021
27 2HA GLY 4 2HA GLY 4 26.932 62.945 62.945
28 H ASP 5 H ASP 5 25.818 65.725 65.725
29 HA ASP 5 HA ASP 5 27.836 67.366 67.366
30 1HB ASP 5 1HB ASP 5 26.383 69.249 69.249
31 2HB ASP 5 2HB ASP 5 25.384 67.927 67.927
32 H GLY 6 H GLY 6 27.109 66.156 66.156
33 1HA GLY 6 1HA GLY 6 28.820 66.280 66.280
34 2HA GLY 6 2HA GLY 6 29.285 67.862 67.862
35 H TYR 7 H TYR 7 26.091 68.091 68.091
36 HA TYR 7 HA TYR 7 25.816 69.021 69.021
37 1HB TYR 7 1HB TYR 7 24.609 70.191 70.191
38 2HB TYR 7 2HB TYR 7 24.241 70.737 70.737
39 HD1 TYR 7 HD1 TYR 7 27.064 70.255 70.255
40 HD2 TYR 7 HD2 TYR 7 25.628 72.301 72.301
41 HE1 TYR 7 HE1 TYR 7 29.062 71.724 71.724
42 HE2 TYR 7 HE2 TYR 7 27.624 73.770 73.770
43 HH TYR 7 HH TYR 7 30.339 73.130 73.130
44 H ILE 8 H ILE 8 24.083 68.259 68.259
45 HA ILE 8 HA ILE 8 22.107 66.576 66.576
46 HB ILE 8 HB ILE 8 23.118 66.479 66.479
47 1HG1 ILE 8 1HG1 ILE 8 23.037 63.945 63.945
48 2HG1 ILE 8 2HG1 ILE 8 23.627 65.035 65.035
49 1HG2 ILE 8 1HG2 ILE 8 20.587 66.217 66.217
50 2HG2 ILE 8 2HG2 ILE 8 20.898 64.785 64.785
51 3HG2 ILE 8 3HG2 ILE 8 21.440 64.842 64.842
52 1HD1 ILE 8 1HD1 ILE 8 24.815 65.514 65.514
53 2HD1 ILE 8 2HD1 ILE 8 25.190 63.929 63.929
54 3HD1 ILE 8 3HD1 ILE 8 25.597 65.390 65.390
55 H SER 9 H SER 9 20.065 67.424 67.424
56 HA SER 9 HA SER 9 19.450 69.888 69.888
57 1HB SER 9 1HB SER 9 17.677 68.155 68.155
58 2HB SER 9 2HB SER 9 17.295 69.780 69.780
59 HG SER 9 HG SER 9 18.237 69.642 69.642
60 H ALA 10 H ALA 10 16.950 69.813 69.813
61 HA ALA 10 HA ALA 10 17.079 68.363 68.363
62 1HB ALA 10 1HB ALA 10 15.535 70.414 70.414
63 2HB ALA 10 2HB ALA 10 14.379 69.082 69.082
64 3HB ALA 10 3HB ALA 10 15.189 69.522 69.522
65 H ALA 11 H ALA 11 14.709 67.884 67.884
66 HA ALA 11 HA ALA 11 13.914 65.287 65.287
67 1HB ALA 11 1HB ALA 11 12.520 66.666 66.666
68 2HB ALA 11 2HB ALA 11 13.719 66.464 66.464
69 3HB ALA 11 3HB ALA 11 12.820 65.068 65.068
70 H GLU 12 H GLU 12 16.648 66.385 66.385
71 HA GLU 12 HA GLU 12 17.230 63.913 63.913
72 1HB GLU 12 1HB GLU 12 18.167 66.374 66.374
73 2HB GLU 12 2HB GLU 12 19.389 65.817 65.817
74 1HG GLU 12 1HG GLU 12 20.065 64.040 64.040
75 2HG GLU 12 2HG GLU 12 18.654 64.252 64.252
76 H ALA 13 H ALA 13 18.677 65.423 65.423
77 HA ALA 13 HA ALA 13 20.370 63.334 63.334
78 1HB ALA 13 1HB ALA 13 20.225 65.533 65.533
79 2HB ALA 13 2HB ALA 13 18.664 65.057 65.057
80 3HB ALA 13 3HB ALA 13 20.125 64.186 64.186
81 H ALA 14 H ALA 14 16.900 63.726 63.726
82 HA ALA 14 HA ALA 14 16.374 61.591 61.591
83 1HB ALA 14 1HB ALA 14 14.849 63.221 63.221
84 2HB ALA 14 2HB ALA 14 14.442 61.552 61.552
85 3HB ALA 14 3HB ALA 14 14.239 62.136 62.136
86 H ALA 15 H ALA 15 17.148 61.567 61.567
87 HA ALA 15 HA ALA 15 16.860 58.623 58.623
88 1HB ALA 15 1HB ALA 15 17.188 60.847 60.847
89 2HB ALA 15 2HB ALA 15 17.891 59.293 59.293
90 3HB ALA 15 3HB ALA 15 16.168 59.411 59.411
91 H GLN 16 H GLN 16 19.355 61.141 61.141
92 HA GLN 16 HA GLN 16 21.537 59.321 59.321
93 1HB GLN 16 1HB GLN 16 21.918 61.920 61.920
94 2HB GLN 16 2HB GLN 16 22.951 61.169 61.169
95 1HG GLN 16 1HG GLN 16 20.469 62.809 62.809
96 2HG GLN 16 2HG GLN 16 21.992 62.872 62.872
97 1HE2 GLN 16 1HE2 GLN 16 19.028 60.878 60.878
98 2HE2 GLN 16 2HE2 GLN 16 18.854 62.109 62.109
99 1HN NH2 17 1HN NH2 17 21.935 60.582 60.582
100 2HN NH2 17 2HN NH2 17 20.275 60.425 60.425
Start of MODEL 10
1 1H ACE 0 1H ACE 0 25.657 59.322 59.322
2 2H ACE 0 2H ACE 0 25.377 60.498 60.498
3 3H ACE 0 3H ACE 0 26.764 60.680 60.680
4 H ASP 1 H ASP 1 26.444 62.304 62.304
5 HA ASP 1 HA ASP 1 23.985 63.586 63.586
6 1HB ASP 1 1HB ASP 1 26.405 64.314 64.314
7 2HB ASP 1 2HB ASP 1 26.148 63.400 63.400
8 H LYS 2 H LYS 2 22.286 63.137 63.137
9 HA LYS 2 HA LYS 2 22.439 60.577 60.577
10 1HB LYS 2 1HB LYS 2 20.424 61.804 61.804
11 2HB LYS 2 2HB LYS 2 19.850 61.849 61.849
12 1HG LYS 2 1HG LYS 2 20.954 59.311 59.311
13 2HG LYS 2 2HG LYS 2 20.175 59.555 59.555
14 1HD LYS 2 1HD LYS 2 18.152 59.228 59.228
15 2HD LYS 2 2HD LYS 2 18.439 60.546 60.546
16 1HE LYS 2 1HE LYS 2 19.763 58.927 58.927
17 2HE LYS 2 2HE LYS 2 19.220 57.638 57.638
18 1HZ LYS 2 1HZ LYS 2 16.914 58.859 58.859
19 2HZ LYS 2 2HZ LYS 2 17.750 59.111 59.111
20 3HZ LYS 2 3HZ LYS 2 17.517 57.532 57.532
21 H ASP 3 H ASP 3 22.590 63.946 63.946
22 HA ASP 3 HA ASP 3 21.632 63.704 63.704
23 1HB ASP 3 1HB ASP 3 21.022 65.676 65.676
24 2HB ASP 3 2HB ASP 3 22.704 66.185 66.185
25 H GLY 4 H GLY 4 24.570 64.474 64.474
26 1HA GLY 4 1HA GLY 4 26.722 63.619 63.619
27 2HA GLY 4 2HA GLY 4 26.124 63.953 63.953
28 H ASP 5 H ASP 5 25.469 66.254 66.254
29 HA ASP 5 HA ASP 5 27.425 68.104 68.104
30 1HB ASP 5 1HB ASP 5 25.810 69.724 69.724
31 2HB ASP 5 2HB ASP 5 25.557 69.383 69.383
32 H GLY 6 H GLY 6 27.344 66.133 66.133
33 1HA GLY 6 1HA GLY 6 28.715 66.070 66.070
34 2HA GLY 6 2HA GLY 6 29.358 67.644 67.644
35 H TYR 7 H TYR 7 26.048 67.919 67.919
36 HA TYR 7 HA TYR 7 25.994 68.759 68.759
37 1HB TYR 7 1HB TYR 7 25.284 70.269 70.269
38 2HB TYR 7 2HB TYR 7 24.241 70.493 70.493
39 HD1 TYR 7 HD1 TYR 7 27.789 70.619 70.619
40 HD2 TYR 7 HD2 TYR 7 24.946 71.793 71.793
41 HE1 TYR 7 HE1 TYR 7 29.486 72.108 72.108
42 HE2 TYR 7 HE2 TYR 7 26.644 73.283 73.283
43 HH TYR 7 HH TYR 7 28.918 74.520 74.520
44 H ILE 8 H ILE 8 24.239 68.077 68.077
45 HA ILE 8 HA ILE 8 22.177 66.512 66.512
46 HB ILE 8 HB ILE 8 23.132 66.453 66.453
47 1HG1 ILE 8 1HG1 ILE 8 23.198 63.909 63.909
48 2HG1 ILE 8 2HG1 ILE 8 23.561 64.869 64.869
49 1HG2 ILE 8 1HG2 ILE 8 20.563 66.150 66.150
50 2HG2 ILE 8 2HG2 ILE 8 21.041 64.598 64.598
51 3HG2 ILE 8 3HG2 ILE 8 21.416 64.974 64.974
52 1HD1 ILE 8 1HD1 ILE 8 24.983 65.779 65.779
53 2HD1 ILE 8 2HD1 ILE 8 25.407 64.139 64.139
54 3HD1 ILE 8 3HD1 ILE 8 25.602 65.476 65.476
55 H SER 9 H SER 9 20.098 67.275 67.275
56 HA SER 9 HA SER 9 19.504 69.809 69.809
57 1HB SER 9 1HB SER 9 17.818 68.059 68.059
58 2HB SER 9 2HB SER 9 17.304 69.614 69.614
59 HG SER 9 HG SER 9 19.478 70.283 70.283
60 H ALA 10 H ALA 10 16.890 69.614 69.614
61 HA ALA 10 HA ALA 10 17.029 68.247 68.247
62 1HB ALA 10 1HB ALA 10 15.560 70.249 70.249
63 2HB ALA 10 2HB ALA 10 14.480 69.099 69.099
64 3HB ALA 10 3HB ALA 10 14.784 68.978 68.978
65 H ALA 11 H ALA 11 14.548 67.611 67.611
66 HA ALA 11 HA ALA 11 13.953 64.992 64.992
67 1HB ALA 11 1HB ALA 11 13.391 66.608 66.608
68 2HB ALA 11 2HB ALA 11 13.430 64.872 64.872
69 3HB ALA 11 3HB ALA 11 12.327 65.528 65.528
70 H GLU 12 H GLU 12 16.629 66.185 66.185
71 HA GLU 12 HA GLU 12 17.365 63.719 63.719
72 1HB GLU 12 1HB GLU 12 18.192 66.248 66.248
73 2HB GLU 12 2HB GLU 12 19.443 65.696 65.696
74 1HG GLU 12 1HG GLU 12 20.152 63.981 63.981
75 2HG GLU 12 2HG GLU 12 18.720 64.164 64.164
76 H ALA 13 H ALA 13 18.713 65.363 65.363
77 HA ALA 13 HA ALA 13 20.477 63.375 63.375
78 1HB ALA 13 1HB ALA 13 20.073 65.673 65.673
79 2HB ALA 13 2HB ALA 13 18.699 64.949 64.949
80 3HB ALA 13 3HB ALA 13 20.330 64.353 64.353
81 H ALA 14 H ALA 14 16.993 63.649 63.649
82 HA ALA 14 HA ALA 14 16.595 61.495 61.495
83 1HB ALA 14 1HB ALA 14 14.906 63.143 63.143
84 2HB ALA 14 2HB ALA 14 14.718 61.709 61.709
85 3HB ALA 14 3HB ALA 14 14.366 61.624 61.624
86 H ALA 15 H ALA 15 17.280 61.523 61.523
87 HA ALA 15 HA ALA 15 17.063 58.576 58.576
88 1HB ALA 15 1HB ALA 15 17.351 60.827 60.827
89 2HB ALA 15 2HB ALA 15 17.988 59.252 59.252
90 3HB ALA 15 3HB ALA 15 16.283 59.424 59.424
91 H GLN 16 H GLN 16 19.465 61.119 61.119
92 HA GLN 16 HA GLN 16 21.686 59.322 59.322
93 1HB GLN 16 1HB GLN 16 22.005 61.999 61.999
94 2HB GLN 16 2HB GLN 16 23.084 61.203 61.203
95 1HG GLN 16 1HG GLN 16 20.586 62.769 62.769
96 2HG GLN 16 2HG GLN 16 22.117 62.785 62.785
97 1HE2 GLN 16 1HE2 GLN 16 19.175 60.638 60.638
98 2HE2 GLN 16 2HE2 GLN 16 18.981 61.943 61.943
99 1HN NH2 17 1HN NH2 17 21.276 61.339 61.339
100 2HN NH2 17 2HN NH2 17 21.698 60.100 60.100
Start of MODEL 11
1 1H ACE 0 1H ACE 0 25.027 60.362 60.362
2 2H ACE 0 2H ACE 0 26.459 61.226 61.226
3 3H ACE 0 3H ACE 0 26.004 59.695 59.695
4 H ASP 1 H ASP 1 26.367 62.234 62.234
5 HA ASP 1 HA ASP 1 23.975 63.617 63.617
6 1HB ASP 1 1HB ASP 1 26.465 63.923 63.923
7 2HB ASP 1 2HB ASP 1 25.843 63.003 63.003
8 H LYS 2 H LYS 2 22.186 63.157 63.157
9 HA LYS 2 HA LYS 2 21.689 60.395 60.395
10 1HB LYS 2 1HB LYS 2 20.023 62.337 62.337
11 2HB LYS 2 2HB LYS 2 20.007 62.638 62.638
12 1HG LYS 2 1HG LYS 2 19.700 59.810 59.810
13 2HG LYS 2 2HG LYS 2 18.328 60.889 60.889
14 1HD LYS 2 1HD LYS 2 17.923 61.125 61.125
15 2HD LYS 2 2HD LYS 2 19.634 61.047 61.047
16 1HE LYS 2 1HE LYS 2 19.431 58.868 58.868
17 2HE LYS 2 2HE LYS 2 18.842 58.520 58.520
18 1HZ LYS 2 1HZ LYS 2 16.905 59.808 59.808
19 2HZ LYS 2 2HZ LYS 2 17.389 58.280 58.280
20 3HZ LYS 2 3HZ LYS 2 16.738 58.446 58.446
21 H ASP 3 H ASP 3 21.803 63.351 63.351
22 HA ASP 3 HA ASP 3 22.336 61.604 61.604
23 1HB ASP 3 1HB ASP 3 20.687 63.729 63.729
24 2HB ASP 3 2HB ASP 3 22.155 64.557 64.557
25 H GLY 4 H GLY 4 24.012 63.539 63.539
26 1HA GLY 4 1HA GLY 4 26.355 63.855 63.855
27 2HA GLY 4 2HA GLY 4 26.522 63.115 63.115
28 H ASP 5 H ASP 5 24.791 66.009 66.009
29 HA ASP 5 HA ASP 5 25.801 67.491 67.491
30 1HB ASP 5 1HB ASP 5 24.194 69.256 69.256
31 2HB ASP 5 2HB ASP 5 23.418 67.705 67.705
32 H GLY 6 H GLY 6 25.917 67.582 67.582
33 1HA GLY 6 1HA GLY 6 28.487 68.572 68.572
34 2HA GLY 6 2HA GLY 6 27.506 70.022 70.022
35 H TYR 7 H TYR 7 25.157 68.939 68.939
36 HA TYR 7 HA TYR 7 26.148 68.434 68.434
37 1HB TYR 7 1HB TYR 7 24.956 70.283 70.283
38 2HB TYR 7 2HB TYR 7 25.903 70.940 70.940
39 HD1 TYR 7 HD1 TYR 7 24.817 71.520 71.520
40 HD2 TYR 7 HD2 TYR 7 22.541 70.191 70.191
41 HE1 TYR 7 HE1 TYR 7 22.740 72.353 72.353
42 HE2 TYR 7 HE2 TYR 7 20.464 71.023 71.023
43 HH TYR 7 HH TYR 7 20.203 71.744 71.744
44 H ILE 8 H ILE 8 24.105 68.148 68.148
45 HA ILE 8 HA ILE 8 22.133 66.504 66.504
46 HB ILE 8 HB ILE 8 23.193 66.323 66.323
47 1HG1 ILE 8 1HG1 ILE 8 23.178 63.822 63.822
48 2HG1 ILE 8 2HG1 ILE 8 23.340 64.763 64.763
49 1HG2 ILE 8 1HG2 ILE 8 20.675 66.116 66.116
50 2HG2 ILE 8 2HG2 ILE 8 20.860 64.758 64.758
51 3HG2 ILE 8 3HG2 ILE 8 21.512 64.656 64.656
52 1HD1 ILE 8 1HD1 ILE 8 25.102 65.154 65.154
53 2HD1 ILE 8 2HD1 ILE 8 25.541 64.137 64.137
54 3HD1 ILE 8 3HD1 ILE 8 25.318 65.872 65.872
55 H SER 9 H SER 9 20.049 67.268 67.268
56 HA SER 9 HA SER 9 19.389 69.672 69.672
57 1HB SER 9 1HB SER 9 17.711 68.074 68.074
58 2HB SER 9 2HB SER 9 17.269 69.632 69.632
59 HG SER 9 HG SER 9 19.360 68.987 68.987
60 H ALA 10 H ALA 10 16.888 69.538 69.538
61 HA ALA 10 HA ALA 10 16.911 67.867 67.867
62 1HB ALA 10 1HB ALA 10 15.260 69.909 69.909
63 2HB ALA 10 2HB ALA 10 14.210 68.512 68.512
64 3HB ALA 10 3HB ALA 10 15.143 69.153 69.153
65 H ALA 11 H ALA 11 14.421 67.611 67.611
66 HA ALA 11 HA ALA 11 13.668 64.965 64.965
67 1HB ALA 11 1HB ALA 11 12.725 66.713 66.713
68 2HB ALA 11 2HB ALA 11 13.811 65.885 65.885
69 3HB ALA 11 3HB ALA 11 12.532 64.986 64.986
70 H GLU 12 H GLU 12 16.518 66.184 66.184
71 HA GLU 12 HA GLU 12 17.294 63.721 63.721
72 1HB GLU 12 1HB GLU 12 18.144 66.259 66.259
73 2HB GLU 12 2HB GLU 12 19.352 65.677 65.677
74 1HG GLU 12 1HG GLU 12 20.099 63.982 63.982
75 2HG GLU 12 2HG GLU 12 18.688 64.169 64.169
76 H ALA 13 H ALA 13 18.606 65.373 65.373
77 HA ALA 13 HA ALA 13 20.259 63.337 63.337
78 1HB ALA 13 1HB ALA 13 19.345 65.760 65.760
79 2HB ALA 13 2HB ALA 13 18.675 64.599 64.599
80 3HB ALA 13 3HB ALA 13 20.415 64.655 64.655
81 H ALA 14 H ALA 14 16.766 63.715 63.715
82 HA ALA 14 HA ALA 14 16.167 61.659 61.659
83 1HB ALA 14 1HB ALA 14 14.770 62.950 62.950
84 2HB ALA 14 2HB ALA 14 14.253 61.286 61.286
85 3HB ALA 14 3HB ALA 14 14.147 62.469 62.469
86 H ALA 15 H ALA 15 17.145 61.491 61.491
87 HA ALA 15 HA ALA 15 16.987 58.536 58.536
88 1HB ALA 15 1HB ALA 15 17.515 60.657 60.657
89 2HB ALA 15 2HB ALA 15 18.026 58.998 58.998
90 3HB ALA 15 3HB ALA 15 16.324 59.357 59.357
91 H GLN 16 H GLN 16 19.292 61.144 61.144
92 HA GLN 16 HA GLN 16 21.595 59.316 59.316
93 1HB GLN 16 1HB GLN 16 21.904 62.135 62.135
94 2HB GLN 16 2HB GLN 16 22.939 61.205 61.205
95 1HG GLN 16 1HG GLN 16 20.386 62.669 62.669
96 2HG GLN 16 2HG GLN 16 21.936 62.741 62.741
97 1HE2 GLN 16 1HE2 GLN 16 19.280 60.451 60.451
98 2HE2 GLN 16 2HE2 GLN 16 19.027 61.908 61.908
99 1HN NH2 17 1HN NH2 17 20.503 58.135 58.135
100 2HN NH2 17 2HN NH2 17 20.338 59.106 59.106
Start of MODEL 12
1 1H ACE 0 1H ACE 0 25.301 59.028 59.028
2 2H ACE 0 2H ACE 0 25.152 60.170 60.170
3 3H ACE 0 3H ACE 0 26.523 60.278 60.278
4 H ASP 1 H ASP 1 26.291 62.048 62.048
5 HA ASP 1 HA ASP 1 23.905 63.486 63.486
6 1HB ASP 1 1HB ASP 1 26.324 64.184 64.184
7 2HB ASP 1 2HB ASP 1 26.119 63.306 63.306
8 H LYS 2 H LYS 2 22.129 63.039 63.039
9 HA LYS 2 HA LYS 2 22.276 60.717 60.717
10 1HB LYS 2 1HB LYS 2 20.518 60.688 60.688
11 2HB LYS 2 2HB LYS 2 19.858 62.189 62.189
12 1HG LYS 2 1HG LYS 2 18.888 61.140 61.140
13 2HG LYS 2 2HG LYS 2 20.253 60.044 60.044
14 1HD LYS 2 1HD LYS 2 19.479 58.553 58.553
15 2HD LYS 2 2HD LYS 2 18.386 59.753 59.753
16 1HE LYS 2 1HE LYS 2 16.815 58.632 58.632
17 2HE LYS 2 2HE LYS 2 17.425 59.638 59.638
18 1HZ LYS 2 1HZ LYS 2 19.167 57.657 57.657
19 2HZ LYS 2 2HZ LYS 2 17.833 56.802 56.802
20 3HZ LYS 2 3HZ LYS 2 17.706 57.631 57.631
21 H ASP 3 H ASP 3 23.298 63.442 63.442
22 HA ASP 3 HA ASP 3 21.673 63.823 63.823
23 1HB ASP 3 1HB ASP 3 21.083 65.567 65.567
24 2HB ASP 3 2HB ASP 3 22.755 66.123 66.123
25 H GLY 4 H GLY 4 24.711 64.583 64.583
26 1HA GLY 4 1HA GLY 4 26.844 63.943 63.943
27 2HA GLY 4 2HA GLY 4 26.106 64.294 64.294
28 H ASP 5 H ASP 5 25.391 66.484 66.484
29 HA ASP 5 HA ASP 5 27.103 68.526 68.526
30 1HB ASP 5 1HB ASP 5 25.669 70.169 70.169
31 2HB ASP 5 2HB ASP 5 24.713 69.079 69.079
32 H GLY 6 H GLY 6 26.918 66.598 66.598
33 1HA GLY 6 1HA GLY 6 28.730 66.476 66.476
34 2HA GLY 6 2HA GLY 6 29.158 68.140 68.140
35 H TYR 7 H TYR 7 25.899 68.228 68.228
36 HA TYR 7 HA TYR 7 25.969 68.700 68.700
37 1HB TYR 7 1HB TYR 7 25.192 70.501 70.501
38 2HB TYR 7 2HB TYR 7 24.072 70.459 70.459
39 HD1 TYR 7 HD1 TYR 7 25.429 70.305 70.305
40 HD2 TYR 7 HD2 TYR 7 26.821 72.152 72.152
41 HE1 TYR 7 HE1 TYR 7 26.968 71.731 71.731
42 HE2 TYR 7 HE2 TYR 7 28.361 73.580 73.580
43 HH TYR 7 HH TYR 7 28.136 73.888 73.888
44 H ILE 8 H ILE 8 24.162 68.037 68.037
45 HA ILE 8 HA ILE 8 22.135 66.485 66.485
46 HB ILE 8 HB ILE 8 23.143 66.280 66.280
47 1HG1 ILE 8 1HG1 ILE 8 23.047 63.784 63.784
48 2HG1 ILE 8 2HG1 ILE 8 23.536 64.864 64.864
49 1HG2 ILE 8 1HG2 ILE 8 20.623 66.084 66.084
50 2HG2 ILE 8 2HG2 ILE 8 20.855 64.715 64.715
51 3HG2 ILE 8 3HG2 ILE 8 21.437 64.631 64.631
52 1HD1 ILE 8 1HD1 ILE 8 25.062 65.770 65.770
53 2HD1 ILE 8 2HD1 ILE 8 25.025 64.030 64.030
54 3HD1 ILE 8 3HD1 ILE 8 25.625 64.662 64.662
55 H SER 9 H SER 9 20.128 67.413 67.413
56 HA SER 9 HA SER 9 19.547 69.834 69.834
57 1HB SER 9 1HB SER 9 17.721 68.160 68.160
58 2HB SER 9 2HB SER 9 17.367 69.774 69.774
59 HG SER 9 HG SER 9 18.495 69.274 69.274
60 H ALA 10 H ALA 10 17.125 69.826 69.826
61 HA ALA 10 HA ALA 10 17.247 68.265 68.265
62 1HB ALA 10 1HB ALA 10 15.647 70.351 70.351
63 2HB ALA 10 2HB ALA 10 14.529 69.020 69.020
64 3HB ALA 10 3HB ALA 10 15.547 69.616 69.616
65 H ALA 11 H ALA 11 14.762 67.990 67.990
66 HA ALA 11 HA ALA 11 13.881 65.402 65.402
67 1HB ALA 11 1HB ALA 11 12.576 66.898 66.898
68 2HB ALA 11 2HB ALA 11 13.764 66.632 66.632
69 3HB ALA 11 3HB ALA 11 12.778 65.289 65.289
70 H GLU 12 H GLU 12 16.653 66.424 66.424
71 HA GLU 12 HA GLU 12 17.142 63.952 63.952
72 1HB GLU 12 1HB GLU 12 18.196 66.389 66.389
73 2HB GLU 12 2HB GLU 12 19.393 65.722 65.722
74 1HG GLU 12 1HG GLU 12 19.972 63.979 63.979
75 2HG GLU 12 2HG GLU 12 18.561 64.296 64.296
76 H ALA 13 H ALA 13 18.687 65.360 65.360
77 HA ALA 13 HA ALA 13 20.274 63.215 63.215
78 1HB ALA 13 1HB ALA 13 18.642 65.166 65.166
79 2HB ALA 13 2HB ALA 13 19.717 63.986 63.986
80 3HB ALA 13 3HB ALA 13 20.373 65.213 65.213
81 H ALA 14 H ALA 14 16.811 63.661 63.661
82 HA ALA 14 HA ALA 14 16.146 61.564 61.564
83 1HB ALA 14 1HB ALA 14 14.598 63.203 63.203
84 2HB ALA 14 2HB ALA 14 14.610 61.945 61.945
85 3HB ALA 14 3HB ALA 14 13.990 61.591 61.591
86 H ALA 15 H ALA 15 17.023 61.458 61.458
87 HA ALA 15 HA ALA 15 16.835 58.503 58.503
88 1HB ALA 15 1HB ALA 15 17.033 60.654 60.654
89 2HB ALA 15 2HB ALA 15 17.877 59.156 59.156
90 3HB ALA 15 3HB ALA 15 16.147 59.130 59.130
91 H GLN 16 H GLN 16 19.213 61.056 61.056
92 HA GLN 16 HA GLN 16 21.452 59.226 59.226
93 1HB GLN 16 1HB GLN 16 21.916 61.902 61.902
94 2HB GLN 16 2HB GLN 16 22.816 61.090 61.090
95 1HG GLN 16 1HG GLN 16 20.265 62.673 62.673
96 2HG GLN 16 2HG GLN 16 21.743 62.838 62.838
97 1HE2 GLN 16 1HE2 GLN 16 18.981 60.943 60.943
98 2HE2 GLN 16 2HE2 GLN 16 18.889 62.342 62.342
99 1HN NH2 17 1HN NH2 17 22.768 58.195 58.195
100 2HN NH2 17 2HN NH2 17 23.094 59.521 59.521
Start of MODEL 13
1 1H ACE 0 1H ACE 0 26.492 59.716 59.716
2 2H ACE 0 2H ACE 0 25.312 59.898 59.898
3 3H ACE 0 3H ACE 0 26.600 61.088 61.088
4 H ASP 1 H ASP 1 26.538 62.388 62.388
5 HA ASP 1 HA ASP 1 24.041 63.604 63.604
6 1HB ASP 1 1HB ASP 1 26.438 64.376 64.376
7 2HB ASP 1 2HB ASP 1 26.133 63.469 63.469
8 H LYS 2 H LYS 2 22.352 63.194 63.194
9 HA LYS 2 HA LYS 2 22.147 60.531 60.531
10 1HB LYS 2 1HB LYS 2 20.258 61.996 61.996
11 2HB LYS 2 2HB LYS 2 20.266 62.819 62.819
12 1HG LYS 2 1HG LYS 2 20.121 60.415 60.415
13 2HG LYS 2 2HG LYS 2 19.582 59.953 59.953
14 1HD LYS 2 1HD LYS 2 17.524 60.749 60.749
15 2HD LYS 2 2HD LYS 2 18.196 62.340 62.340
16 1HE LYS 2 1HE LYS 2 18.062 62.019 62.019
17 2HE LYS 2 2HE LYS 2 18.640 60.357 60.357
18 1HZ LYS 2 1HZ LYS 2 15.927 61.093 61.093
19 2HZ LYS 2 2HZ LYS 2 16.240 60.749 60.749
20 3HZ LYS 2 3HZ LYS 2 16.523 59.566 59.566
21 H ASP 3 H ASP 3 22.826 63.753 63.753
22 HA ASP 3 HA ASP 3 22.823 62.667 62.667
23 1HB ASP 3 1HB ASP 3 22.559 65.364 65.364
24 2HB ASP 3 2HB ASP 3 23.445 65.287 65.287
25 H GLY 4 H GLY 4 24.952 63.635 63.635
26 1HA GLY 4 1HA GLY 4 27.289 63.099 63.099
27 2HA GLY 4 2HA GLY 4 27.262 62.898 62.898
28 H ASP 5 H ASP 5 25.989 65.675 65.675
29 HA ASP 5 HA ASP 5 27.972 67.368 67.368
30 1HB ASP 5 1HB ASP 5 26.080 69.091 69.091
31 2HB ASP 5 2HB ASP 5 26.116 68.526 68.526
32 H GLY 6 H GLY 6 27.738 65.932 65.932
33 1HA GLY 6 1HA GLY 6 28.912 66.343 66.343
34 2HA GLY 6 2HA GLY 6 29.511 67.841 67.841
35 H TYR 7 H TYR 7 26.164 67.695 67.695
36 HA TYR 7 HA TYR 7 25.774 69.159 69.159
37 1HB TYR 7 1HB TYR 7 25.178 70.022 70.022
38 2HB TYR 7 2HB TYR 7 24.012 70.455 70.455
39 HD1 TYR 7 HD1 TYR 7 27.704 70.446 70.446
40 HD2 TYR 7 HD2 TYR 7 24.382 72.376 72.376
41 HE1 TYR 7 HE1 TYR 7 29.204 72.266 72.266
42 HE2 TYR 7 HE2 TYR 7 25.881 74.198 74.198
43 HH TYR 7 HH TYR 7 29.381 74.060 74.060
44 H ILE 8 H ILE 8 24.154 68.277 68.277
45 HA ILE 8 HA ILE 8 22.151 66.573 66.573
46 HB ILE 8 HB ILE 8 23.286 66.493 66.493
47 1HG1 ILE 8 1HG1 ILE 8 23.340 63.977 63.977
48 2HG1 ILE 8 2HG1 ILE 8 23.302 64.798 64.798
49 1HG2 ILE 8 1HG2 ILE 8 20.753 66.277 66.277
50 2HG2 ILE 8 2HG2 ILE 8 20.951 64.847 64.847
51 3HG2 ILE 8 3HG2 ILE 8 21.621 64.875 64.875
52 1HD1 ILE 8 1HD1 ILE 8 25.167 66.138 66.138
53 2HD1 ILE 8 2HD1 ILE 8 25.548 64.417 64.417
54 3HD1 ILE 8 3HD1 ILE 8 25.474 65.352 65.352
55 H SER 9 H SER 9 20.104 67.389 67.389
56 HA SER 9 HA SER 9 19.474 69.841 69.841
57 1HB SER 9 1HB SER 9 17.712 68.162 68.162
58 2HB SER 9 2HB SER 9 17.336 69.774 69.774
59 HG SER 9 HG SER 9 18.274 70.248 70.248
60 H ALA 10 H ALA 10 17.044 69.800 69.800
61 HA ALA 10 HA ALA 10 17.095 68.244 68.244
62 1HB ALA 10 1HB ALA 10 14.872 69.691 69.691
63 2HB ALA 10 2HB ALA 10 14.589 68.838 68.838
64 3HB ALA 10 3HB ALA 10 15.723 70.187 70.187
65 H ALA 11 H ALA 11 14.577 67.886 67.886
66 HA ALA 11 HA ALA 11 13.826 65.262 65.262
67 1HB ALA 11 1HB ALA 11 13.305 67.074 67.074
68 2HB ALA 11 2HB ALA 11 13.420 65.404 65.404
69 3HB ALA 11 3HB ALA 11 12.258 65.838 65.838
70 H GLU 12 H GLU 12 16.597 66.385 66.385
71 HA GLU 12 HA GLU 12 17.188 63.901 63.901
72 1HB GLU 12 1HB GLU 12 18.098 66.369 66.369
73 2HB GLU 12 2HB GLU 12 19.336 65.836 65.836
74 1HG GLU 12 1HG GLU 12 19.978 64.017 64.017
75 2HG GLU 12 2HG GLU 12 18.585 64.275 64.275
76 H ALA 13 H ALA 13 18.672 65.475 65.475
77 HA ALA 13 HA ALA 13 20.417 63.475 63.475
78 1HB ALA 13 1HB ALA 13 19.472 65.780 65.780
79 2HB ALA 13 2HB ALA 13 18.775 64.553 64.553
80 3HB ALA 13 3HB ALA 13 20.521 64.624 64.624
81 H ALA 14 H ALA 14 16.928 63.648 63.648
82 HA ALA 14 HA ALA 14 16.517 61.423 61.423
83 1HB ALA 14 1HB ALA 14 14.889 63.084 63.084
84 2HB ALA 14 2HB ALA 14 14.612 61.476 61.476
85 3HB ALA 14 3HB ALA 14 14.335 61.776 61.776
86 H ALA 15 H ALA 15 17.248 61.580 61.580
87 HA ALA 15 HA ALA 15 17.103 58.634 58.634
88 1HB ALA 15 1HB ALA 15 17.219 60.941 60.941
89 2HB ALA 15 2HB ALA 15 18.092 59.503 59.503
90 3HB ALA 15 3HB ALA 15 16.369 59.405 59.405
91 H GLN 16 H GLN 16 19.430 61.197 61.197
92 HA GLN 16 HA GLN 16 21.718 59.549 59.549
93 1HB GLN 16 1HB GLN 16 21.965 62.051 62.051
94 2HB GLN 16 2HB GLN 16 23.036 61.445 61.445
95 1HG GLN 16 1HG GLN 16 20.428 62.909 62.909
96 2HG GLN 16 2HG GLN 16 21.960 63.214 63.214
97 1HE2 GLN 16 1HE2 GLN 16 19.249 60.991 60.991
98 2HE2 GLN 16 2HE2 GLN 16 18.903 62.013 62.013
99 1HN NH2 17 1HN NH2 17 21.254 59.678 59.678
100 2HN NH2 17 2HN NH2 17 20.171 60.516 60.516
Start of MODEL 14
1 1H ACE 0 1H ACE 0 24.924 59.570 59.570
2 2H ACE 0 2H ACE 0 26.391 60.268 60.268
3 3H ACE 0 3H ACE 0 25.621 58.887 58.887
4 H ASP 1 H ASP 1 26.179 61.838 61.838
5 HA ASP 1 HA ASP 1 23.759 63.251 63.251
6 1HB ASP 1 1HB ASP 1 26.273 63.807 63.807
7 2HB ASP 1 2HB ASP 1 25.723 63.222 63.222
8 H LYS 2 H LYS 2 22.022 63.025 63.025
9 HA LYS 2 HA LYS 2 21.963 60.551 60.551
10 1HB LYS 2 1HB LYS 2 20.056 61.926 61.926
11 2HB LYS 2 2HB LYS 2 19.492 62.014 62.014
12 1HG LYS 2 1HG LYS 2 20.277 59.495 59.495
13 2HG LYS 2 2HG LYS 2 18.641 59.971 59.971
14 1HD LYS 2 1HD LYS 2 20.293 60.078 60.078
15 2HD LYS 2 2HD LYS 2 20.545 58.518 58.518
16 1HE LYS 2 1HE LYS 2 18.023 58.304 58.304
17 2HE LYS 2 2HE LYS 2 17.917 59.724 59.724
18 1HZ LYS 2 1HZ LYS 2 19.264 58.542 58.542
19 2HZ LYS 2 2HZ LYS 2 19.279 57.168 57.168
20 3HZ LYS 2 3HZ LYS 2 17.814 57.722 57.722
21 H ASP 3 H ASP 3 22.946 63.610 63.610
22 HA ASP 3 HA ASP 3 21.856 63.642 63.642
23 1HB ASP 3 1HB ASP 3 21.509 65.606 65.606
24 2HB ASP 3 2HB ASP 3 22.969 66.161 66.161
25 H GLY 4 H GLY 4 24.673 64.344 64.344
26 1HA GLY 4 1HA GLY 4 26.912 63.639 63.639
27 2HA GLY 4 2HA GLY 4 26.401 63.714 63.714
28 H ASP 5 H ASP 5 25.444 66.290 66.290
29 HA ASP 5 HA ASP 5 27.258 68.113 68.113
30 1HB ASP 5 1HB ASP 5 25.776 69.909 69.909
31 2HB ASP 5 2HB ASP 5 24.852 68.664 68.664
32 H GLY 6 H GLY 6 27.163 66.479 66.479
33 1HA GLY 6 1HA GLY 6 28.875 66.651 66.651
34 2HA GLY 6 2HA GLY 6 29.222 68.287 68.287
35 H TYR 7 H TYR 7 25.932 68.104 68.104
36 HA TYR 7 HA TYR 7 25.899 68.876 68.876
37 1HB TYR 7 1HB TYR 7 25.022 70.447 70.447
38 2HB TYR 7 2HB TYR 7 24.032 70.553 70.553
39 HD1 TYR 7 HD1 TYR 7 25.948 70.335 70.335
40 HD2 TYR 7 HD2 TYR 7 26.308 72.410 72.410
41 HE1 TYR 7 HE1 TYR 7 27.600 71.882 71.882
42 HE2 TYR 7 HE2 TYR 7 27.960 73.955 73.955
43 HH TYR 7 HH TYR 7 29.567 73.363 73.363
44 H ILE 8 H ILE 8 24.128 68.134 68.134
45 HA ILE 8 HA ILE 8 22.152 66.515 66.515
46 HB ILE 8 HB ILE 8 23.257 66.283 66.283
47 1HG1 ILE 8 1HG1 ILE 8 23.084 63.791 63.791
48 2HG1 ILE 8 2HG1 ILE 8 23.478 64.862 64.862
49 1HG2 ILE 8 1HG2 ILE 8 20.699 66.089 66.089
50 2HG2 ILE 8 2HG2 ILE 8 20.933 64.666 64.666
51 3HG2 ILE 8 3HG2 ILE 8 21.573 64.695 64.695
52 1HD1 ILE 8 1HD1 ILE 8 25.049 65.566 65.566
53 2HD1 ILE 8 2HD1 ILE 8 25.256 63.856 63.856
54 3HD1 ILE 8 3HD1 ILE 8 25.599 65.078 65.078
55 H SER 9 H SER 9 20.109 67.367 67.367
56 HA SER 9 HA SER 9 19.455 69.736 69.736
57 1HB SER 9 1HB SER 9 17.716 68.108 68.108
58 2HB SER 9 2HB SER 9 17.317 69.691 69.691
59 HG SER 9 HG SER 9 18.462 70.513 70.513
60 H ALA 10 H ALA 10 17.004 69.631 69.631
61 HA ALA 10 HA ALA 10 17.070 67.993 67.993
62 1HB ALA 10 1HB ALA 10 14.799 69.423 69.423
63 2HB ALA 10 2HB ALA 10 14.581 68.560 68.560
64 3HB ALA 10 3HB ALA 10 15.677 69.939 69.939
65 H ALA 11 H ALA 11 14.489 67.686 67.686
66 HA ALA 11 HA ALA 11 13.784 65.043 65.043
67 1HB ALA 11 1HB ALA 11 12.926 66.861 66.861
68 2HB ALA 11 2HB ALA 11 13.749 65.700 65.700
69 3HB ALA 11 3HB ALA 11 12.435 65.167 65.167
70 H GLU 12 H GLU 12 16.561 66.257 66.257
71 HA GLU 12 HA GLU 12 17.291 63.781 63.781
72 1HB GLU 12 1HB GLU 12 18.137 66.308 66.308
73 2HB GLU 12 2HB GLU 12 19.378 65.753 65.753
74 1HG GLU 12 1HG GLU 12 20.063 64.002 64.002
75 2HG GLU 12 2HG GLU 12 18.646 64.223 64.223
76 H ALA 13 H ALA 13 18.717 65.464 65.464
77 HA ALA 13 HA ALA 13 20.360 63.380 63.380
78 1HB ALA 13 1HB ALA 13 19.562 65.872 65.872
79 2HB ALA 13 2HB ALA 13 18.997 64.736 64.736
80 3HB ALA 13 3HB ALA 13 20.703 64.775 64.775
81 H ALA 14 H ALA 14 16.920 63.969 63.969
82 HA ALA 14 HA ALA 14 16.390 61.910 61.910
83 1HB ALA 14 1HB ALA 14 14.712 63.570 63.570
84 2HB ALA 14 2HB ALA 14 14.628 62.531 62.531
85 3HB ALA 14 3HB ALA 14 14.121 61.915 61.915
86 H ALA 15 H ALA 15 17.009 61.787 61.787
87 HA ALA 15 HA ALA 15 16.593 58.860 58.860
88 1HB ALA 15 1HB ALA 15 17.069 61.004 61.004
89 2HB ALA 15 2HB ALA 15 17.460 59.334 59.334
90 3HB ALA 15 3HB ALA 15 15.813 59.767 59.767
91 H GLN 16 H GLN 16 19.189 61.263 61.263
92 HA GLN 16 HA GLN 16 21.258 59.268 59.268
93 1HB GLN 16 1HB GLN 16 21.826 61.977 61.977
94 2HB GLN 16 2HB GLN 16 22.787 61.045 61.045
95 1HG GLN 16 1HG GLN 16 20.392 62.773 62.773
96 2HG GLN 16 2HG GLN 16 21.893 62.658 62.658
97 1HE2 GLN 16 1HE2 GLN 16 18.767 60.612 60.612
98 2HE2 GLN 16 2HE2 GLN 16 18.674 61.939 61.939
99 1HN NH2 17 1HN NH2 17 22.346 58.064 58.064
100 2HN NH2 17 2HN NH2 17 22.107 58.262 58.262
Start of MODEL 15
1 1H ACE 0 1H ACE 0 25.754 61.138 61.138
2 2H ACE 0 2H ACE 0 27.018 61.001 61.001
3 3H ACE 0 3H ACE 0 25.822 59.717 59.717
4 H ASP 1 H ASP 1 26.601 62.491 62.491
5 HA ASP 1 HA ASP 1 24.119 63.701 63.701
6 1HB ASP 1 1HB ASP 1 26.507 64.314 64.314
7 2HB ASP 1 2HB ASP 1 26.162 63.212 63.212
8 H LYS 2 H LYS 2 22.360 63.100 63.100
9 HA LYS 2 HA LYS 2 22.043 60.338 60.338
10 1HB LYS 2 1HB LYS 2 20.279 62.234 62.234
11 2HB LYS 2 2HB LYS 2 20.261 62.451 62.451
12 1HG LYS 2 1HG LYS 2 20.155 59.635 59.635
13 2HG LYS 2 2HG LYS 2 18.762 60.586 60.586
14 1HD LYS 2 1HD LYS 2 19.145 61.429 61.429
15 2HD LYS 2 2HD LYS 2 19.522 59.708 59.708
16 1HE LYS 2 1HE LYS 2 17.388 59.066 59.066
17 2HE LYS 2 2HE LYS 2 17.078 60.593 60.593
18 1HZ LYS 2 1HZ LYS 2 17.535 61.152 61.152
19 2HZ LYS 2 2HZ LYS 2 16.426 59.867 59.867
20 3HZ LYS 2 3HZ LYS 2 16.089 61.324 61.324
21 H ASP 3 H ASP 3 22.077 63.288 63.288
22 HA ASP 3 HA ASP 3 22.682 61.561 61.561
23 1HB ASP 3 1HB ASP 3 21.691 64.366 64.366
24 2HB ASP 3 2HB ASP 3 22.497 63.945 63.945
25 H GLY 4 H GLY 4 24.325 63.494 63.494
26 1HA GLY 4 1HA GLY 4 26.648 63.907 63.907
27 2HA GLY 4 2HA GLY 4 26.848 63.117 63.117
28 H ASP 5 H ASP 5 24.996 65.988 65.988
29 HA ASP 5 HA ASP 5 26.025 67.430 67.430
30 1HB ASP 5 1HB ASP 5 24.293 69.078 69.078
31 2HB ASP 5 2HB ASP 5 23.581 67.464 67.464
32 H GLY 6 H GLY 6 25.917 67.714 67.714
33 1HA GLY 6 1HA GLY 6 28.477 68.874 68.874
34 2HA GLY 6 2HA GLY 6 27.326 70.206 70.206
35 H TYR 7 H TYR 7 25.150 69.097 69.097
36 HA TYR 7 HA TYR 7 26.218 68.273 68.273
37 1HB TYR 7 1HB TYR 7 24.787 70.060 70.060
38 2HB TYR 7 2HB TYR 7 26.205 70.664 70.664
39 HD1 TYR 7 HD1 TYR 7 25.906 71.461 71.461
40 HD2 TYR 7 HD2 TYR 7 22.616 70.775 70.775
41 HE1 TYR 7 HE1 TYR 7 24.443 72.851 72.851
42 HE2 TYR 7 HE2 TYR 7 21.153 72.165 72.165
43 HH TYR 7 HH TYR 7 21.131 73.646 73.646
44 H ILE 8 H ILE 8 24.130 68.124 68.124
45 HA ILE 8 HA ILE 8 22.106 66.562 66.562
46 HB ILE 8 HB ILE 8 23.040 66.380 66.380
47 1HG1 ILE 8 1HG1 ILE 8 23.266 63.915 63.915
48 2HG1 ILE 8 2HG1 ILE 8 23.364 64.807 64.807
49 1HG2 ILE 8 1HG2 ILE 8 20.461 66.051 66.051
50 2HG2 ILE 8 2HG2 ILE 8 21.024 64.502 64.502
51 3HG2 ILE 8 3HG2 ILE 8 21.298 64.925 64.925
52 1HD1 ILE 8 1HD1 ILE 8 25.059 65.514 65.514
53 2HD1 ILE 8 2HD1 ILE 8 25.593 64.369 64.369
54 3HD1 ILE 8 3HD1 ILE 8 25.270 66.046 66.046
55 H SER 9 H SER 9 20.036 67.338 67.338
56 HA SER 9 HA SER 9 19.453 69.830 69.830
57 1HB SER 9 1HB SER 9 17.683 68.174 68.174
58 2HB SER 9 2HB SER 9 17.322 69.790 69.790
59 HG SER 9 HG SER 9 18.911 68.995 68.995
60 H ALA 10 H ALA 10 16.934 69.770 69.770
61 HA ALA 10 HA ALA 10 16.971 68.206 68.206
62 1HB ALA 10 1HB ALA 10 14.933 69.902 69.902
63 2HB ALA 10 2HB ALA 10 14.413 68.869 68.869
64 3HB ALA 10 3HB ALA 10 15.640 70.107 70.107
65 H ALA 11 H ALA 11 14.642 67.969 67.969
66 HA ALA 11 HA ALA 11 13.684 65.383 65.383
67 1HB ALA 11 1HB ALA 11 13.075 67.271 67.271
68 2HB ALA 11 2HB ALA 11 13.587 65.840 65.840
69 3HB ALA 11 3HB ALA 11 12.258 65.729 65.729
70 H GLU 12 H GLU 12 16.591 66.398 66.398
71 HA GLU 12 HA GLU 12 17.152 63.917 63.917
72 1HB GLU 12 1HB GLU 12 18.146 66.385 66.385
73 2HB GLU 12 2HB GLU 12 19.337 65.752 65.752
74 1HG GLU 12 1HG GLU 12 19.966 63.998 63.998
75 2HG GLU 12 2HG GLU 12 18.571 64.284 64.284
76 H ALA 13 H ALA 13 18.629 65.433 65.433
77 HA ALA 13 HA ALA 13 20.256 63.381 63.381
78 1HB ALA 13 1HB ALA 13 18.920 65.642 65.642
79 2HB ALA 13 2HB ALA 13 18.859 64.272 64.272
80 3HB ALA 13 3HB ALA 13 20.412 64.854 64.854
81 H ALA 14 H ALA 14 16.769 63.635 63.635
82 HA ALA 14 HA ALA 14 16.110 61.538 61.538
83 1HB ALA 14 1HB ALA 14 14.844 62.568 62.568
84 2HB ALA 14 2HB ALA 14 14.192 61.119 61.119
85 3HB ALA 14 3HB ALA 14 14.238 62.641 62.641
86 H ALA 15 H ALA 15 17.183 61.408 61.408
87 HA ALA 15 HA ALA 15 17.133 58.446 58.446
88 1HB ALA 15 1HB ALA 15 17.372 60.556 60.556
89 2HB ALA 15 2HB ALA 15 18.297 59.085 59.085
90 3HB ALA 15 3HB ALA 15 16.550 58.997 58.997
91 H GLN 16 H GLN 16 19.318 61.093 61.093
92 HA GLN 16 HA GLN 16 21.705 59.393 59.393
93 1HB GLN 16 1HB GLN 16 21.862 62.157 62.157
94 2HB GLN 16 2HB GLN 16 22.949 61.351 61.351
95 1HG GLN 16 1HG GLN 16 20.280 62.641 62.641
96 2HG GLN 16 2HG GLN 16 21.835 62.955 62.955
97 1HE2 GLN 16 1HE2 GLN 16 19.438 60.401 60.401
98 2HE2 GLN 16 2HE2 GLN 16 18.954 61.647 61.647
99 1HN NH2 17 1HN NH2 17 21.839 58.166 58.166
100 2HN NH2 17 2HN NH2 17 23.083 58.717 58.717
Start of MODEL 16
1 1H ACE 0 1H ACE 0 24.797 59.140 59.140
2 2H ACE 0 2H ACE 0 25.526 60.514 60.514
3 3H ACE 0 3H ACE 0 26.317 59.819 59.819
4 H ASP 1 H ASP 1 26.240 61.986 61.986
5 HA ASP 1 HA ASP 1 23.880 63.484 63.484
6 1HB ASP 1 1HB ASP 1 26.313 64.138 64.138
7 2HB ASP 1 2HB ASP 1 26.096 63.274 63.274
8 H LYS 2 H LYS 2 22.151 63.213 63.213
9 HA LYS 2 HA LYS 2 21.891 60.708 60.708
10 1HB LYS 2 1HB LYS 2 19.930 61.754 61.754
11 2HB LYS 2 2HB LYS 2 20.128 63.179 63.179
12 1HG LYS 2 1HG LYS 2 19.858 61.711 61.711
13 2HG LYS 2 2HG LYS 2 19.508 60.362 60.362
14 1HD LYS 2 1HD LYS 2 17.347 61.029 61.029
15 2HD LYS 2 2HD LYS 2 17.801 62.297 62.297
16 1HE LYS 2 1HE LYS 2 17.363 63.845 63.845
17 2HE LYS 2 2HE LYS 2 18.629 63.151 63.151
18 1HZ LYS 2 1HZ LYS 2 16.293 61.541 61.541
19 2HZ LYS 2 2HZ LYS 2 15.923 63.137 63.137
20 3HZ LYS 2 3HZ LYS 2 17.118 62.274 62.274
21 H ASP 3 H ASP 3 22.910 63.940 63.940
22 HA ASP 3 HA ASP 3 22.874 63.244 63.244
23 1HB ASP 3 1HB ASP 3 22.986 65.927 65.927
24 2HB ASP 3 2HB ASP 3 23.172 65.725 65.725
25 H GLY 4 H GLY 4 24.913 63.180 63.180
26 1HA GLY 4 1HA GLY 4 27.250 63.179 63.179
27 2HA GLY 4 2HA GLY 4 27.271 62.783 62.783
28 H ASP 5 H ASP 5 25.865 65.721 65.721
29 HA ASP 5 HA ASP 5 27.761 67.293 67.293
30 1HB ASP 5 1HB ASP 5 26.227 69.138 69.138
31 2HB ASP 5 2HB ASP 5 25.267 67.710 67.710
32 H GLY 6 H GLY 6 27.202 66.395 66.395
33 1HA GLY 6 1HA GLY 6 29.024 66.792 66.792
34 2HA GLY 6 2HA GLY 6 29.282 68.361 68.361
35 H TYR 7 H TYR 7 26.030 68.070 68.070
36 HA TYR 7 HA TYR 7 25.790 69.145 69.145
37 1HB TYR 7 1HB TYR 7 24.524 70.267 70.267
38 2HB TYR 7 2HB TYR 7 24.153 70.807 70.807
39 HD1 TYR 7 HD1 TYR 7 26.503 71.141 71.141
40 HD2 TYR 7 HD2 TYR 7 25.970 71.671 71.671
41 HE1 TYR 7 HE1 TYR 7 28.462 72.661 72.661
42 HE2 TYR 7 HE2 TYR 7 27.929 73.191 73.191
43 HH TYR 7 HH TYR 7 30.151 73.418 73.418
44 H ILE 8 H ILE 8 24.070 68.332 68.332
45 HA ILE 8 HA ILE 8 22.161 66.590 66.590
46 HB ILE 8 HB ILE 8 23.323 66.403 66.403
47 1HG1 ILE 8 1HG1 ILE 8 23.309 63.920 63.920
48 2HG1 ILE 8 2HG1 ILE 8 23.372 64.889 64.889
49 1HG2 ILE 8 1HG2 ILE 8 20.835 66.143 66.143
50 2HG2 ILE 8 2HG2 ILE 8 20.939 64.856 64.856
51 3HG2 ILE 8 3HG2 ILE 8 21.703 64.655 64.655
52 1HD1 ILE 8 1HD1 ILE 8 25.295 66.169 66.169
53 2HD1 ILE 8 2HD1 ILE 8 25.312 64.951 64.951
54 3HD1 ILE 8 3HD1 ILE 8 25.649 64.487 64.487
55 H SER 9 H SER 9 20.149 67.449 67.449
56 HA SER 9 HA SER 9 19.400 69.761 69.761
57 1HB SER 9 1HB SER 9 17.719 68.084 68.084
58 2HB SER 9 2HB SER 9 17.279 69.661 69.661
59 HG SER 9 HG SER 9 18.191 70.053 70.053
60 H ALA 10 H ALA 10 17.069 69.670 69.670
61 HA ALA 10 HA ALA 10 17.132 67.992 67.992
62 1HB ALA 10 1HB ALA 10 15.392 69.978 69.978
63 2HB ALA 10 2HB ALA 10 14.403 68.580 68.580
64 3HB ALA 10 3HB ALA 10 15.423 69.342 69.342
65 H ALA 11 H ALA 11 14.599 67.694 67.694
66 HA ALA 11 HA ALA 11 13.855 65.057 65.057
67 1HB ALA 11 1HB ALA 11 13.868 66.426 66.426
68 2HB ALA 11 2HB ALA 11 13.008 64.930 64.930
69 3HB ALA 11 3HB ALA 11 12.545 66.430 66.430
70 H GLU 12 H GLU 12 16.662 66.248 66.248
71 HA GLU 12 HA GLU 12 17.389 63.768 63.768
72 1HB GLU 12 1HB GLU 12 18.265 66.302 66.302
73 2HB GLU 12 2HB GLU 12 19.494 65.698 65.698
74 1HG GLU 12 1HG GLU 12 20.198 64.018 64.018
75 2HG GLU 12 2HG GLU 12 18.744 64.176 64.176
76 H ALA 13 H ALA 13 18.769 65.428 65.428
77 HA ALA 13 HA ALA 13 20.445 63.421 63.421
78 1HB ALA 13 1HB ALA 13 18.643 65.295 65.295
79 2HB ALA 13 2HB ALA 13 19.899 64.306 64.306
80 3HB ALA 13 3HB ALA 13 20.336 65.557 65.557
81 H ALA 14 H ALA 14 16.954 63.730 63.730
82 HA ALA 14 HA ALA 14 16.432 61.606 61.606
83 1HB ALA 14 1HB ALA 14 14.720 63.165 63.165
84 2HB ALA 14 2HB ALA 14 14.816 62.157 62.157
85 3HB ALA 14 3HB ALA 14 14.237 61.470 61.470
86 H ALA 15 H ALA 15 17.201 61.571 61.571
87 HA ALA 15 HA ALA 15 17.050 58.617 58.617
88 1HB ALA 15 1HB ALA 15 17.133 60.806 60.806
89 2HB ALA 15 2HB ALA 15 18.063 59.376 59.376
90 3HB ALA 15 3HB ALA 15 16.342 59.233 59.233
91 H GLN 16 H GLN 16 19.361 61.136 61.136
92 HA GLN 16 HA GLN 16 21.623 59.328 59.328
93 1HB GLN 16 1HB GLN 16 22.006 62.099 62.099
94 2HB GLN 16 2HB GLN 16 23.009 61.204 61.204
95 1HG GLN 16 1HG GLN 16 20.496 62.762 62.762
96 2HG GLN 16 2HG GLN 16 22.001 62.750 62.750
97 1HE2 GLN 16 1HE2 GLN 16 19.194 60.722 60.722
98 2HE2 GLN 16 2HE2 GLN 16 19.128 62.230 62.230
99 1HN NH2 17 1HN NH2 17 22.582 60.871 60.871
100 2HN NH2 17 2HN NH2 17 21.001 61.406 61.406
Start of MODEL 17
1 1H ACE 0 1H ACE 0 26.950 61.019 61.019
2 2H ACE 0 2H ACE 0 25.685 59.841 59.841
3 3H ACE 0 3H ACE 0 25.755 61.355 61.355
4 H ASP 1 H ASP 1 26.543 62.475 62.475
5 HA ASP 1 HA ASP 1 24.077 63.704 63.704
6 1HB ASP 1 1HB ASP 1 26.543 64.078 64.078
7 2HB ASP 1 2HB ASP 1 25.936 63.074 63.074
8 H LYS 2 H LYS 2 22.356 63.167 63.167
9 HA LYS 2 HA LYS 2 21.885 60.347 60.347
10 1HB LYS 2 1HB LYS 2 20.070 62.006 62.006
11 2HB LYS 2 2HB LYS 2 20.372 62.724 62.724
12 1HG LYS 2 1HG LYS 2 20.093 59.867 59.867
13 2HG LYS 2 2HG LYS 2 18.701 60.516 60.516
14 1HD LYS 2 1HD LYS 2 19.294 62.321 62.321
15 2HD LYS 2 2HD LYS 2 19.287 60.693 60.693
16 1HE LYS 2 1HE LYS 2 17.027 61.223 61.223
17 2HE LYS 2 2HE LYS 2 17.092 60.433 60.433
18 1HZ LYS 2 1HZ LYS 2 17.723 63.206 63.206
19 2HZ LYS 2 2HZ LYS 2 16.191 62.966 62.966
20 3HZ LYS 2 3HZ LYS 2 16.539 62.313 62.313
21 H ASP 3 H ASP 3 22.359 63.096 63.096
22 HA ASP 3 HA ASP 3 22.993 61.101 61.101
23 1HB ASP 3 1HB ASP 3 22.478 62.808 62.808
24 2HB ASP 3 2HB ASP 3 21.201 62.874 62.874
25 H GLY 4 H GLY 4 24.245 63.937 63.937
26 1HA GLY 4 1HA GLY 4 26.689 63.987 63.987
27 2HA GLY 4 2HA GLY 4 26.919 63.323 63.323
28 H ASP 5 H ASP 5 24.975 66.056 66.056
29 HA ASP 5 HA ASP 5 25.989 67.694 67.694
30 1HB ASP 5 1HB ASP 5 24.228 69.292 69.292
31 2HB ASP 5 2HB ASP 5 23.557 67.680 67.680
32 H GLY 6 H GLY 6 26.233 67.402 67.402
33 1HA GLY 6 1HA GLY 6 28.610 68.641 68.641
34 2HA GLY 6 2HA GLY 6 27.532 70.028 70.028
35 H TYR 7 H TYR 7 25.241 69.086 69.086
36 HA TYR 7 HA TYR 7 26.195 68.248 68.248
37 1HB TYR 7 1HB TYR 7 24.283 70.561 70.561
38 2HB TYR 7 2HB TYR 7 25.177 70.075 70.075
39 HD1 TYR 7 HD1 TYR 7 27.760 70.166 70.166
40 HD2 TYR 7 HD2 TYR 7 25.186 72.154 72.154
41 HE1 TYR 7 HE1 TYR 7 29.628 71.663 71.663
42 HE2 TYR 7 HE2 TYR 7 27.052 73.651 73.651
43 HH TYR 7 HH TYR 7 29.893 73.936 73.936
44 H ILE 8 H ILE 8 24.131 68.010 68.010
45 HA ILE 8 HA ILE 8 22.127 66.470 66.470
46 HB ILE 8 HB ILE 8 23.089 66.256 66.256
47 1HG1 ILE 8 1HG1 ILE 8 23.233 63.796 63.796
48 2HG1 ILE 8 2HG1 ILE 8 23.210 64.625 64.625
49 1HG2 ILE 8 1HG2 ILE 8 20.557 66.063 66.063
50 2HG2 ILE 8 2HG2 ILE 8 20.827 64.672 64.672
51 3HG2 ILE 8 3HG2 ILE 8 21.373 64.633 64.633
52 1HD1 ILE 8 1HD1 ILE 8 25.127 66.014 66.014
53 2HD1 ILE 8 2HD1 ILE 8 25.163 65.159 65.159
54 3HD1 ILE 8 3HD1 ILE 8 25.527 64.298 64.298
55 H SER 9 H SER 9 20.068 67.246 67.246
56 HA SER 9 HA SER 9 19.406 69.689 69.689
57 1HB SER 9 1HB SER 9 17.797 68.030 68.030
58 2HB SER 9 2HB SER 9 17.257 69.554 69.554
59 HG SER 9 HG SER 9 19.774 69.419 69.419
60 H ALA 10 H ALA 10 16.891 69.586 69.586
61 HA ALA 10 HA ALA 10 16.878 67.997 67.997
62 1HB ALA 10 1HB ALA 10 14.616 69.349 69.349
63 2HB ALA 10 2HB ALA 10 14.432 68.610 68.610
64 3HB ALA 10 3HB ALA 10 15.509 69.991 69.991
65 H ALA 11 H ALA 11 14.496 67.662 67.662
66 HA ALA 11 HA ALA 11 13.703 65.033 65.033
67 1HB ALA 11 1HB ALA 11 13.707 66.574 66.574
68 2HB ALA 11 2HB ALA 11 13.131 64.908 64.908
69 3HB ALA 11 3HB ALA 11 12.336 66.155 66.155
70 H GLU 12 H GLU 12 16.607 66.175 66.175
71 HA GLU 12 HA GLU 12 17.355 63.719 63.719
72 1HB GLU 12 1HB GLU 12 18.267 66.241 66.241
73 2HB GLU 12 2HB GLU 12 19.432 65.602 65.602
74 1HG GLU 12 1HG GLU 12 20.250 64.007 64.007
75 2HG GLU 12 2HG GLU 12 18.812 64.094 64.094
76 H ALA 13 H ALA 13 18.589 65.274 65.274
77 HA ALA 13 HA ALA 13 20.223 63.261 63.261
78 1HB ALA 13 1HB ALA 13 19.569 65.544 65.544
79 2HB ALA 13 2HB ALA 13 18.249 64.646 64.646
80 3HB ALA 13 3HB ALA 13 19.923 64.200 64.200
81 H ALA 14 H ALA 14 16.714 63.470 63.470
82 HA ALA 14 HA ALA 14 16.079 61.306 61.306
83 1HB ALA 14 1HB ALA 14 14.368 62.743 62.743
84 2HB ALA 14 2HB ALA 14 14.747 62.016 62.016
85 3HB ALA 14 3HB ALA 14 14.032 61.035 61.035
86 H ALA 15 H ALA 15 17.194 61.332 61.332
87 HA ALA 15 HA ALA 15 17.140 58.376 58.376
88 1HB ALA 15 1HB ALA 15 17.570 60.595 60.595
89 2HB ALA 15 2HB ALA 15 18.281 59.021 59.021
90 3HB ALA 15 3HB ALA 15 16.538 59.171 59.171
91 H GLN 16 H GLN 16 19.333 61.013 61.013
92 HA GLN 16 HA GLN 16 21.710 59.283 59.283
93 1HB GLN 16 1HB GLN 16 21.813 62.076 62.076
94 2HB GLN 16 2HB GLN 16 23.004 61.229 61.229
95 1HG GLN 16 1HG GLN 16 20.470 62.602 62.602
96 2HG GLN 16 2HG GLN 16 22.085 62.717 62.717
97 1HE2 GLN 16 1HE2 GLN 16 19.557 60.256 60.256
98 2HE2 GLN 16 2HE2 GLN 16 19.137 61.611 61.611
99 1HN NH2 17 1HN NH2 17 21.154 58.343 58.343
100 2HN NH2 17 2HN NH2 17 20.450 58.009 58.009
Start of MODEL 18
1 1H ACE 0 1H ACE 0 24.997 59.118 59.118
2 2H ACE 0 2H ACE 0 25.674 60.514 60.514
3 3H ACE 0 3H ACE 0 26.479 59.871 59.871
4 H ASP 1 H ASP 1 26.281 62.089 62.089
5 HA ASP 1 HA ASP 1 23.860 63.471 63.471
6 1HB ASP 1 1HB ASP 1 26.306 64.173 64.173
7 2HB ASP 1 2HB ASP 1 26.020 63.377 63.377
8 H LYS 2 H LYS 2 22.156 63.175 63.175
9 HA LYS 2 HA LYS 2 21.866 60.639 60.639
10 1HB LYS 2 1HB LYS 2 19.874 61.692 61.692
11 2HB LYS 2 2HB LYS 2 20.235 63.188 63.188
12 1HG LYS 2 1HG LYS 2 20.005 61.986 61.986
13 2HG LYS 2 2HG LYS 2 19.594 60.513 60.513
14 1HD LYS 2 1HD LYS 2 17.465 61.190 61.190
15 2HD LYS 2 2HD LYS 2 17.982 62.791 62.791
16 1HE LYS 2 1HE LYS 2 18.481 62.526 62.526
17 2HE LYS 2 2HE LYS 2 16.803 62.099 62.099
18 1HZ LYS 2 1HZ LYS 2 16.644 64.180 64.180
19 2HZ LYS 2 2HZ LYS 2 18.202 64.600 64.600
20 3HZ LYS 2 3HZ LYS 2 16.934 64.439 64.439
21 H ASP 3 H ASP 3 22.518 63.949 63.949
22 HA ASP 3 HA ASP 3 22.789 62.924 62.924
23 1HB ASP 3 1HB ASP 3 22.867 65.722 65.722
24 2HB ASP 3 2HB ASP 3 23.138 65.366 65.366
25 H GLY 4 H GLY 4 24.724 63.177 63.177
26 1HA GLY 4 1HA GLY 4 27.050 63.068 63.068
27 2HA GLY 4 2HA GLY 4 27.135 62.620 62.620
28 H ASP 5 H ASP 5 25.825 65.633 65.633
29 HA ASP 5 HA ASP 5 27.769 67.110 67.110
30 1HB ASP 5 1HB ASP 5 26.279 68.994 68.994
31 2HB ASP 5 2HB ASP 5 25.282 67.579 67.579
32 H GLY 6 H GLY 6 27.287 66.188 66.188
33 1HA GLY 6 1HA GLY 6 29.008 66.633 66.633
34 2HA GLY 6 2HA GLY 6 29.338 68.168 68.168
35 H TYR 7 H TYR 7 26.021 67.765 67.765
36 HA TYR 7 HA TYR 7 25.795 69.002 69.002
37 1HB TYR 7 1HB TYR 7 24.777 70.157 70.157
38 2HB TYR 7 2HB TYR 7 24.119 70.633 70.633
39 HD1 TYR 7 HD1 TYR 7 26.634 70.516 70.516
40 HD2 TYR 7 HD2 TYR 7 25.895 72.132 72.132
41 HE1 TYR 7 HE1 TYR 7 28.507 72.109 72.109
42 HE2 TYR 7 HE2 TYR 7 27.769 73.726 73.726
43 HH TYR 7 HH TYR 7 29.443 74.022 74.022
44 H ILE 8 H ILE 8 24.083 68.208 68.208
45 HA ILE 8 HA ILE 8 22.080 66.564 66.564
46 HB ILE 8 HB ILE 8 23.151 66.372 66.372
47 1HG1 ILE 8 1HG1 ILE 8 23.027 63.874 63.874
48 2HG1 ILE 8 2HG1 ILE 8 23.492 64.955 64.955
49 1HG2 ILE 8 1HG2 ILE 8 20.684 66.150 66.150
50 2HG2 ILE 8 2HG2 ILE 8 20.773 64.924 64.924
51 3HG2 ILE 8 3HG2 ILE 8 21.471 64.606 64.606
52 1HD1 ILE 8 1HD1 ILE 8 25.324 65.857 65.857
53 2HD1 ILE 8 2HD1 ILE 8 24.869 64.756 64.756
54 3HD1 ILE 8 3HD1 ILE 8 25.488 64.115 64.115
55 H SER 9 H SER 9 20.092 67.510 67.510
56 HA SER 9 HA SER 9 19.478 69.893 69.893
57 1HB SER 9 1HB SER 9 17.614 68.254 68.254
58 2HB SER 9 2HB SER 9 17.364 69.910 69.910
59 HG SER 9 HG SER 9 19.164 70.522 70.522
60 H ALA 10 H ALA 10 17.270 69.987 69.987
61 HA ALA 10 HA ALA 10 17.304 68.255 68.255
62 1HB ALA 10 1HB ALA 10 15.355 70.204 70.204
63 2HB ALA 10 2HB ALA 10 14.751 69.069 69.069
64 3HB ALA 10 3HB ALA 10 16.082 70.155 70.155
65 H ALA 11 H ALA 11 14.964 68.253 68.253
66 HA ALA 11 HA ALA 11 13.821 65.715 65.715
67 1HB ALA 11 1HB ALA 11 12.641 67.403 67.403
68 2HB ALA 11 2HB ALA 11 13.779 67.053 67.053
69 3HB ALA 11 3HB ALA 11 12.677 65.799 65.799
70 H GLU 12 H GLU 12 16.735 66.583 66.583
71 HA GLU 12 HA GLU 12 17.014 64.147 64.147
72 1HB GLU 12 1HB GLU 12 18.147 66.508 66.508
73 2HB GLU 12 2HB GLU 12 19.334 65.864 65.864
74 1HG GLU 12 1HG GLU 12 19.860 64.036 64.036
75 2HG GLU 12 2HG GLU 12 18.480 64.386 64.386
76 H ALA 13 H ALA 13 18.640 65.428 65.428
77 HA ALA 13 HA ALA 13 20.213 63.232 63.232
78 1HB ALA 13 1HB ALA 13 18.821 65.352 65.352
79 2HB ALA 13 2HB ALA 13 19.335 63.933 63.933
80 3HB ALA 13 3HB ALA 13 20.521 64.881 64.881
81 H ALA 14 H ALA 14 16.761 63.721 63.721
82 HA ALA 14 HA ALA 14 16.157 61.466 61.466
83 1HB ALA 14 1HB ALA 14 14.679 63.003 63.003
84 2HB ALA 14 2HB ALA 14 14.011 61.448 61.448
85 3HB ALA 14 3HB ALA 14 14.256 62.725 62.725
86 H ALA 15 H ALA 15 16.835 61.723 61.723
87 HA ALA 15 HA ALA 15 16.467 58.808 58.808
88 1HB ALA 15 1HB ALA 15 17.026 61.129 61.129
89 2HB ALA 15 2HB ALA 15 17.265 59.469 59.469
90 3HB ALA 15 3HB ALA 15 15.667 60.005 60.005
91 H GLN 16 H GLN 16 18.983 61.195 61.195
92 HA GLN 16 HA GLN 16 21.134 59.428 59.428
93 1HB GLN 16 1HB GLN 16 21.478 61.877 61.877
94 2HB GLN 16 2HB GLN 16 22.613 61.192 61.192
95 1HG GLN 16 1HG GLN 16 20.233 62.930 62.930
96 2HG GLN 16 2HG GLN 16 21.801 62.939 62.939
97 1HE2 GLN 16 1HE2 GLN 16 18.777 61.086 61.086
98 2HE2 GLN 16 2HE2 GLN 16 18.591 62.211 62.211
99 1HN NH2 17 1HN NH2 17 20.985 57.362 57.362
100 2HN NH2 17 2HN NH2 17 19.628 58.150 58.150
Start of MODEL 19
1 1H ACE 0 1H ACE 0 25.972 61.290 61.290
2 2H ACE 0 2H ACE 0 26.895 60.612 60.612
3 3H ACE 0 3H ACE 0 25.491 59.750 59.750
4 H ASP 1 H ASP 1 26.548 62.431 62.431
5 HA ASP 1 HA ASP 1 24.068 63.698 63.698
6 1HB ASP 1 1HB ASP 1 26.502 64.262 64.262
7 2HB ASP 1 2HB ASP 1 26.045 63.292 63.292
8 H LYS 2 H LYS 2 22.290 63.123 63.123
9 HA LYS 2 HA LYS 2 22.108 60.388 60.388
10 1HB LYS 2 1HB LYS 2 20.173 61.455 61.455
11 2HB LYS 2 2HB LYS 2 20.163 62.708 62.708
12 1HG LYS 2 1HG LYS 2 20.180 60.113 60.113
13 2HG LYS 2 2HG LYS 2 18.858 60.198 60.198
14 1HD LYS 2 1HD LYS 2 18.198 62.405 62.405
15 2HD LYS 2 2HD LYS 2 19.404 62.121 62.121
16 1HE LYS 2 1HE LYS 2 17.201 61.381 61.381
17 2HE LYS 2 2HE LYS 2 18.269 59.991 59.991
18 1HZ LYS 2 1HZ LYS 2 17.033 60.430 60.430
19 2HZ LYS 2 2HZ LYS 2 15.812 60.514 60.514
20 3HZ LYS 2 3HZ LYS 2 16.793 59.132 59.132
21 H ASP 3 H ASP 3 23.119 63.357 63.357
22 HA ASP 3 HA ASP 3 22.693 62.251 62.251
23 1HB ASP 3 1HB ASP 3 22.128 64.858 64.858
24 2HB ASP 3 2HB ASP 3 23.299 65.000 65.000
25 H GLY 4 H GLY 4 24.935 64.028 64.028
26 1HA GLY 4 1HA GLY 4 27.318 63.311 63.311
27 2HA GLY 4 2HA GLY 4 27.147 63.115 63.115
28 H ASP 5 H ASP 5 26.312 65.746 65.746
29 HA ASP 5 HA ASP 5 27.958 67.567 67.567
30 1HB ASP 5 1HB ASP 5 25.992 69.192 69.192
31 2HB ASP 5 2HB ASP 5 26.031 68.619 68.619
32 H GLY 6 H GLY 6 27.757 66.168 66.168
33 1HA GLY 6 1HA GLY 6 28.944 66.654 66.654
34 2HA GLY 6 2HA GLY 6 29.506 68.144 68.144
35 H TYR 7 H TYR 7 26.104 67.604 67.604
36 HA TYR 7 HA TYR 7 25.704 69.215 69.215
37 1HB TYR 7 1HB TYR 7 24.482 69.974 69.974
38 2HB TYR 7 2HB TYR 7 24.307 70.839 70.839
39 HD1 TYR 7 HD1 TYR 7 26.671 71.386 71.386
40 HD2 TYR 7 HD2 TYR 7 26.060 70.796 70.796
41 HE1 TYR 7 HE1 TYR 7 28.745 72.659 72.659
42 HE2 TYR 7 HE2 TYR 7 28.133 72.068 72.068
43 HH TYR 7 HH TYR 7 30.223 72.670 72.670
44 H ILE 8 H ILE 8 24.075 68.326 68.326
45 HA ILE 8 HA ILE 8 22.123 66.572 66.572
46 HB ILE 8 HB ILE 8 23.179 66.540 66.540
47 1HG1 ILE 8 1HG1 ILE 8 23.265 64.004 64.004
48 2HG1 ILE 8 2HG1 ILE 8 23.601 65.029 65.029
49 1HG2 ILE 8 1HG2 ILE 8 20.640 66.163 66.163
50 2HG2 ILE 8 2HG2 ILE 8 21.045 64.703 64.703
51 3HG2 ILE 8 3HG2 ILE 8 21.571 64.880 64.880
52 1HD1 ILE 8 1HD1 ILE 8 25.263 66.257 66.257
53 2HD1 ILE 8 2HD1 ILE 8 25.127 64.826 64.826
54 3HD1 ILE 8 3HD1 ILE 8 25.734 64.678 64.678
55 H SER 9 H SER 9 20.072 67.360 67.360
56 HA SER 9 HA SER 9 19.369 69.770 69.770
57 1HB SER 9 1HB SER 9 17.690 68.135 68.135
58 2HB SER 9 2HB SER 9 17.282 69.725 69.725
59 HG SER 9 HG SER 9 18.866 69.056 69.056
60 H ALA 10 H ALA 10 17.139 69.781 69.781
61 HA ALA 10 HA ALA 10 17.091 68.010 68.010
62 1HB ALA 10 1HB ALA 10 14.796 69.496 69.496
63 2HB ALA 10 2HB ALA 10 14.682 68.691 68.691
64 3HB ALA 10 3HB ALA 10 15.781 70.054 70.054
65 H ALA 11 H ALA 11 14.634 67.903 67.903
66 HA ALA 11 HA ALA 11 13.727 65.289 65.289
67 1HB ALA 11 1HB ALA 11 13.765 66.991 66.991
68 2HB ALA 11 2HB ALA 11 13.225 65.316 65.316
69 3HB ALA 11 3HB ALA 11 12.384 66.448 66.448
70 H GLU 12 H GLU 12 16.663 66.366 66.366
71 HA GLU 12 HA GLU 12 17.285 63.854 63.854
72 1HB GLU 12 1HB GLU 12 18.220 66.365 66.365
73 2HB GLU 12 2HB GLU 12 19.454 65.733 65.733
74 1HG GLU 12 1HG GLU 12 20.030 63.983 63.983
75 2HG GLU 12 2HG GLU 12 18.601 64.276 64.276
76 H ALA 13 H ALA 13 18.776 65.516 65.516
77 HA ALA 13 HA ALA 13 20.396 63.469 63.469
78 1HB ALA 13 1HB ALA 13 18.980 65.763 65.763
79 2HB ALA 13 2HB ALA 13 19.351 64.464 64.464
80 3HB ALA 13 3HB ALA 13 20.648 65.234 65.234
81 H ALA 14 H ALA 14 16.923 63.886 63.886
82 HA ALA 14 HA ALA 14 16.297 61.889 61.889
83 1HB ALA 14 1HB ALA 14 14.918 62.903 62.903
84 2HB ALA 14 2HB ALA 14 14.268 61.475 61.475
85 3HB ALA 14 3HB ALA 14 14.401 62.999 62.999
86 H ALA 15 H ALA 15 17.223 61.596 61.596
87 HA ALA 15 HA ALA 15 17.019 58.644 58.644
88 1HB ALA 15 1HB ALA 15 17.344 60.686 60.686
89 2HB ALA 15 2HB ALA 15 18.126 59.130 59.130
90 3HB ALA 15 3HB ALA 15 16.388 59.204 59.204
91 H GLN 16 H GLN 16 19.432 61.219 61.219
92 HA GLN 16 HA GLN 16 21.683 59.400 59.400
93 1HB GLN 16 1HB GLN 16 21.917 62.156 62.156
94 2HB GLN 16 2HB GLN 16 23.053 61.300 61.300
95 1HG GLN 16 1HG GLN 16 20.545 62.774 62.774
96 2HG GLN 16 2HG GLN 16 22.135 62.832 62.832
97 1HE2 GLN 16 1HE2 GLN 16 19.377 60.290 60.290
98 2HE2 GLN 16 2HE2 GLN 16 19.019 61.470 61.470
99 1HN NH2 17 1HN NH2 17 22.142 58.031 58.031
100 2HN NH2 17 2HN NH2 17 23.354 59.055 59.055
Start of MODEL 20
1 1H ACE 0 1H ACE 0 25.609 59.554 59.554
2 2H ACE 0 2H ACE 0 25.307 60.826 60.826
3 3H ACE 0 3H ACE 0 26.681 60.952 60.952
4 H ASP 1 H ASP 1 26.354 62.198 62.198
5 HA ASP 1 HA ASP 1 23.959 63.583 63.583
6 1HB ASP 1 1HB ASP 1 26.456 63.779 63.779
7 2HB ASP 1 2HB ASP 1 25.708 62.915 62.915
8 H LYS 2 H LYS 2 22.130 63.093 63.093
9 HA LYS 2 HA LYS 2 21.520 60.351 60.351
10 1HB LYS 2 1HB LYS 2 19.828 62.118 62.118
11 2HB LYS 2 2HB LYS 2 20.103 62.832 62.832
12 1HG LYS 2 1HG LYS 2 19.609 60.410 60.410
13 2HG LYS 2 2HG LYS 2 18.834 60.199 60.199
14 1HD LYS 2 1HD LYS 2 17.151 61.696 61.696
15 2HD LYS 2 2HD LYS 2 18.176 62.681 62.681
16 1HE LYS 2 1HE LYS 2 16.944 59.995 59.995
17 2HE LYS 2 2HE LYS 2 16.541 61.555 61.555
18 1HZ LYS 2 1HZ LYS 2 19.140 61.509 61.509
19 2HZ LYS 2 2HZ LYS 2 18.846 59.836 59.836
20 3HZ LYS 2 3HZ LYS 2 18.016 60.854 60.854
21 H ASP 3 H ASP 3 21.918 63.143 63.143
22 HA ASP 3 HA ASP 3 22.442 61.194 61.194
23 1HB ASP 3 1HB ASP 3 22.207 63.252 63.252
24 2HB ASP 3 2HB ASP 3 20.752 62.812 62.812
25 H GLY 4 H GLY 4 24.017 63.482 63.482
26 1HA GLY 4 1HA GLY 4 26.397 63.664 63.664
27 2HA GLY 4 2HA GLY 4 26.577 62.908 62.908
28 H ASP 5 H ASP 5 24.864 65.825 65.825
29 HA ASP 5 HA ASP 5 25.930 67.287 67.287
30 1HB ASP 5 1HB ASP 5 24.224 68.970 68.970
31 2HB ASP 5 2HB ASP 5 23.481 67.371 67.371
32 H GLY 6 H GLY 6 26.055 67.213 67.213
33 1HA GLY 6 1HA GLY 6 28.513 68.415 68.415
34 2HA GLY 6 2HA GLY 6 27.411 69.787 69.787
35 H TYR 7 H TYR 7 25.252 69.200 69.200
36 HA TYR 7 HA TYR 7 26.200 68.163 68.163
37 1HB TYR 7 1HB TYR 7 24.660 70.702 70.702
38 2HB TYR 7 2HB TYR 7 24.726 69.979 69.979
39 HD1 TYR 7 HD1 TYR 7 26.783 71.442 71.442
40 HD2 TYR 7 HD2 TYR 7 26.680 70.148 70.148
41 HE1 TYR 7 HE1 TYR 7 28.995 72.495 72.495
42 HE2 TYR 7 HE2 TYR 7 28.891 71.202 71.202
43 HH TYR 7 HH TYR 7 30.994 71.857 71.857
44 H ILE 8 H ILE 8 24.134 67.909 67.909
45 HA ILE 8 HA ILE 8 22.120 66.431 66.431
46 HB ILE 8 HB ILE 8 22.990 66.178 66.178
47 1HG1 ILE 8 1HG1 ILE 8 23.264 63.758 63.758
48 2HG1 ILE 8 2HG1 ILE 8 23.139 64.491 64.491
49 1HG2 ILE 8 1HG2 ILE 8 20.451 65.979 65.979
50 2HG2 ILE 8 2HG2 ILE 8 20.817 64.554 64.554
51 3HG2 ILE 8 3HG2 ILE 8 21.247 64.591 64.591
52 1HD1 ILE 8 1HD1 ILE 8 24.971 65.958 65.958
53 2HD1 ILE 8 2HD1 ILE 8 25.464 64.278 64.278
54 3HD1 ILE 8 3HD1 ILE 8 25.237 65.319 65.319
55 H SER 9 H SER 9 20.043 67.162 67.162
56 HA SER 9 HA SER 9 19.403 69.646 69.646
57 1HB SER 9 1HB SER 9 17.846 67.983 67.983
58 2HB SER 9 2HB SER 9 17.236 69.468 69.468
59 HG SER 9 HG SER 9 19.149 70.490 70.490
60 H ALA 10 H ALA 10 16.787 69.493 69.493
61 HA ALA 10 HA ALA 10 16.742 68.018 68.018
62 1HB ALA 10 1HB ALA 10 14.607 69.390 69.390
63 2HB ALA 10 2HB ALA 10 14.215 68.533 68.533
64 3HB ALA 10 3HB ALA 10 15.316 69.910 69.910
65 H ALA 11 H ALA 11 14.382 67.543 67.543
66 HA ALA 11 HA ALA 11 13.663 64.915 64.915
67 1HB ALA 11 1HB ALA 11 13.722 66.179 66.179
68 2HB ALA 11 2HB ALA 11 12.875 64.685 64.685
69 3HB ALA 11 3HB ALA 11 12.370 66.209 66.209
70 H GLU 12 H GLU 12 16.527 66.087 66.087
71 HA GLU 12 HA GLU 12 17.333 63.637 63.637
72 1HB GLU 12 1HB GLU 12 18.220 66.174 66.174
73 2HB GLU 12 2HB GLU 12 19.376 65.539 65.539
74 1HG GLU 12 1HG GLU 12 20.229 63.962 63.962
75 2HG GLU 12 2HG GLU 12 18.806 64.049 64.049
76 H ALA 13 H ALA 13 18.522 65.211 65.211
77 HA ALA 13 HA ALA 13 20.138 63.176 63.176
78 1HB ALA 13 1HB ALA 13 18.322 65.160 65.160
79 2HB ALA 13 2HB ALA 13 19.284 64.016 64.016
80 3HB ALA 13 3HB ALA 13 20.081 65.185 65.185
81 H ALA 14 H ALA 14 16.634 63.474 63.474
82 HA ALA 14 HA ALA 14 15.913 61.436 61.436
83 1HB ALA 14 1HB ALA 14 14.578 62.914 62.914
84 2HB ALA 14 2HB ALA 14 14.433 61.263 61.263
85 3HB ALA 14 3HB ALA 14 13.846 61.667 61.667
86 H ALA 15 H ALA 15 17.102 61.192 61.192
87 HA ALA 15 HA ALA 15 17.046 58.233 58.233
88 1HB ALA 15 1HB ALA 15 17.419 60.290 60.290
89 2HB ALA 15 2HB ALA 15 18.263 58.759 58.759
90 3HB ALA 15 3HB ALA 15 16.509 58.780 58.780
91 H GLN 16 H GLN 16 19.295 60.934 60.934
92 HA GLN 16 HA GLN 16 21.655 59.197 59.197
93 1HB GLN 16 1HB GLN 16 21.757 62.039 62.039
94 2HB GLN 16 2HB GLN 16 22.920 61.156 61.156
95 1HG GLN 16 1HG GLN 16 20.351 62.478 62.478
96 2HG GLN 16 2HG GLN 16 21.944 62.574 62.574
97 1HE2 GLN 16 1HE2 GLN 16 19.385 60.015 60.015
98 2HE2 GLN 16 2HE2 GLN 16 18.975 61.402 61.402
99 1HN NH2 17 1HN NH2 17 22.890 58.617 58.617
100 2HN NH2 17 2HN NH2 17 23.084 60.272 60.272
Start of MODEL 21
1 1H ACE 0 1H ACE 0 25.892 59.728 59.728
2 2H ACE 0 2H ACE 0 25.101 60.668 60.668
3 3H ACE 0 3H ACE 0 26.565 61.280 61.280
4 H ASP 1 H ASP 1 26.388 62.313 62.313
5 HA ASP 1 HA ASP 1 23.972 63.628 63.628
6 1HB ASP 1 1HB ASP 1 26.456 63.958 63.958
7 2HB ASP 1 2HB ASP 1 25.869 62.963 62.963
8 H LYS 2 H LYS 2 22.222 63.106 63.106
9 HA LYS 2 HA LYS 2 21.862 60.273 60.273
10 1HB LYS 2 1HB LYS 2 20.083 62.070 62.070
11 2HB LYS 2 2HB LYS 2 19.989 62.402 62.402
12 1HG LYS 2 1HG LYS 2 19.510 60.034 60.034
13 2HG LYS 2 2HG LYS 2 19.640 59.672 59.672
14 1HD LYS 2 1HD LYS 2 17.401 60.034 60.034
15 2HD LYS 2 2HD LYS 2 17.834 61.743 61.743
16 1HE LYS 2 1HE LYS 2 16.468 61.714 61.714
17 2HE LYS 2 2HE LYS 2 17.957 61.199 61.199
18 1HZ LYS 2 1HZ LYS 2 17.189 58.859 58.859
19 2HZ LYS 2 2HZ LYS 2 15.655 59.568 59.568
20 3HZ LYS 2 3HZ LYS 2 16.439 59.607 59.607
21 H ASP 3 H ASP 3 22.528 63.225 63.225
22 HA ASP 3 HA ASP 3 22.682 61.534 61.534
23 1HB ASP 3 1HB ASP 3 21.985 64.451 64.451
24 2HB ASP 3 2HB ASP 3 22.451 63.797 63.797
25 H GLY 4 H GLY 4 24.398 63.613 63.613
26 1HA GLY 4 1HA GLY 4 26.778 63.794 63.794
27 2HA GLY 4 2HA GLY 4 26.881 63.091 63.091
28 H ASP 5 H ASP 5 25.106 65.932 65.932
29 HA ASP 5 HA ASP 5 26.161 67.491 67.491
30 1HB ASP 5 1HB ASP 5 24.437 69.098 69.098
31 2HB ASP 5 2HB ASP 5 23.697 67.498 67.498
32 H GLY 6 H GLY 6 26.067 67.569 67.569
33 1HA GLY 6 1HA GLY 6 28.637 68.599 68.599
34 2HA GLY 6 2HA GLY 6 27.598 70.013 70.013
35 H TYR 7 H TYR 7 25.268 68.926 68.926
36 HA TYR 7 HA TYR 7 26.219 68.205 68.205
37 1HB TYR 7 1HB TYR 7 24.672 70.032 70.032
38 2HB TYR 7 2HB TYR 7 26.193 70.573 70.573
39 HD1 TYR 7 HD1 TYR 7 22.662 69.812 69.812
40 HD2 TYR 7 HD2 TYR 7 26.131 72.283 72.283
41 HE1 TYR 7 HE1 TYR 7 21.409 71.203 71.203
42 HE2 TYR 7 HE2 TYR 7 24.878 73.674 73.674
43 HH TYR 7 HH TYR 7 22.788 74.163 74.163
44 H ILE 8 H ILE 8 24.205 67.907 67.907
45 HA ILE 8 HA ILE 8 22.167 66.390 66.390
46 HB ILE 8 HB ILE 8 23.142 66.210 66.210
47 1HG1 ILE 8 1HG1 ILE 8 23.196 63.719 63.719
48 2HG1 ILE 8 2HG1 ILE 8 23.280 64.571 64.571
49 1HG2 ILE 8 1HG2 ILE 8 20.595 66.038 66.038
50 2HG2 ILE 8 2HG2 ILE 8 20.868 64.600 64.600
51 3HG2 ILE 8 3HG2 ILE 8 21.409 64.639 64.639
52 1HD1 ILE 8 1HD1 ILE 8 25.069 65.931 65.931
53 2HD1 ILE 8 2HD1 ILE 8 25.348 64.218 64.218
54 3HD1 ILE 8 3HD1 ILE 8 25.487 64.845 64.845
55 H SER 9 H SER 9 20.119 67.222 67.222
56 HA SER 9 HA SER 9 19.502 69.670 69.670
57 1HB SER 9 1HB SER 9 17.844 68.015 68.015
58 2HB SER 9 2HB SER 9 17.306 69.524 69.524
59 HG SER 9 HG SER 9 18.905 70.599 70.599
60 H ALA 10 H ALA 10 16.975 69.554 69.554
61 HA ALA 10 HA ALA 10 17.059 67.934 67.934
62 1HB ALA 10 1HB ALA 10 15.703 70.081 70.081
63 2HB ALA 10 2HB ALA 10 14.533 69.051 69.051
64 3HB ALA 10 3HB ALA 10 14.891 68.790 68.790
65 H ALA 11 H ALA 11 14.597 67.706 67.706
66 HA ALA 11 HA ALA 11 13.740 65.092 65.092
67 1HB ALA 11 1HB ALA 11 13.738 66.707 66.707
68 2HB ALA 11 2HB ALA 11 13.205 65.026 65.026
69 3HB ALA 11 3HB ALA 11 12.370 66.198 66.198
70 H GLU 12 H GLU 12 16.637 66.194 66.194
71 HA GLU 12 HA GLU 12 17.346 63.725 63.725
72 1HB GLU 12 1HB GLU 12 18.289 66.240 66.240
73 2HB GLU 12 2HB GLU 12 19.457 65.580 65.580
74 1HG GLU 12 1HG GLU 12 20.233 63.980 63.980
75 2HG GLU 12 2HG GLU 12 18.790 64.103 64.103
76 H ALA 13 H ALA 13 18.623 65.279 65.279
77 HA ALA 13 HA ALA 13 20.240 63.249 63.249
78 1HB ALA 13 1HB ALA 13 18.304 64.968 64.968
79 2HB ALA 13 2HB ALA 13 19.661 64.074 64.074
80 3HB ALA 13 3HB ALA 13 19.958 65.407 65.407
81 H ALA 14 H ALA 14 16.734 63.517 63.517
82 HA ALA 14 HA ALA 14 16.082 61.376 61.376
83 1HB ALA 14 1HB ALA 14 14.468 62.930 62.930
84 2HB ALA 14 2HB ALA 14 14.682 61.880 61.880
85 3HB ALA 14 3HB ALA 14 13.983 61.236 61.236
86 H ALA 15 H ALA 15 17.150 61.358 61.358
87 HA ALA 15 HA ALA 15 17.049 58.400 58.400
88 1HB ALA 15 1HB ALA 15 17.481 60.593 60.593
89 2HB ALA 15 2HB ALA 15 18.144 58.998 58.998
90 3HB ALA 15 3HB ALA 15 16.411 59.193 59.193
91 H GLN 16 H GLN 16 19.302 61.008 61.008
92 HA GLN 16 HA GLN 16 21.641 59.250 59.250
93 1HB GLN 16 1HB GLN 16 21.830 62.006 62.006
94 2HB GLN 16 2HB GLN 16 22.955 61.173 61.173
95 1HG GLN 16 1HG GLN 16 20.398 62.600 62.600
96 2HG GLN 16 2HG GLN 16 21.982 62.737 62.737
97 1HE2 GLN 16 1HE2 GLN 16 19.405 60.438 60.438
98 2HE2 GLN 16 2HE2 GLN 16 19.066 61.814 61.814
99 1HN NH2 17 1HN NH2 17 20.457 59.048 59.048
100 2HN NH2 17 2HN NH2 17 19.613 58.813 58.813
Start of MODEL 22
1 1H ACE 0 1H ACE 0 26.362 59.566 59.566
2 2H ACE 0 2H ACE 0 25.067 59.570 59.570
3 3H ACE 0 3H ACE 0 26.313 60.817 60.817
4 H ASP 1 H ASP 1 26.434 62.174 62.174
5 HA ASP 1 HA ASP 1 23.987 63.502 63.502
6 1HB ASP 1 1HB ASP 1 26.403 64.243 64.243
7 2HB ASP 1 2HB ASP 1 26.161 63.365 63.365
8 H LYS 2 H LYS 2 22.264 63.081 63.081
9 HA LYS 2 HA LYS 2 22.435 60.622 60.622
10 1HB LYS 2 1HB LYS 2 20.464 61.575 61.575
11 2HB LYS 2 2HB LYS 2 19.826 61.932 61.932
12 1HG LYS 2 1HG LYS 2 21.028 59.310 59.310
13 2HG LYS 2 2HG LYS 2 19.849 59.427 59.427
14 1HD LYS 2 1HD LYS 2 18.081 59.907 59.907
15 2HD LYS 2 2HD LYS 2 19.165 60.446 60.446
16 1HE LYS 2 1HE LYS 2 19.609 57.658 57.658
17 2HE LYS 2 2HE LYS 2 18.007 57.948 57.948
18 1HZ LYS 2 1HZ LYS 2 19.158 59.112 59.112
19 2HZ LYS 2 2HZ LYS 2 20.632 58.535 58.535
20 3HZ LYS 2 3HZ LYS 2 19.448 57.443 57.443
21 H ASP 3 H ASP 3 22.384 64.048 64.048
22 HA ASP 3 HA ASP 3 21.487 63.923 63.923
23 1HB ASP 3 1HB ASP 3 20.733 65.727 65.727
24 2HB ASP 3 2HB ASP 3 22.331 66.426 66.426
25 H GLY 4 H GLY 4 24.329 63.645 63.645
26 1HA GLY 4 1HA GLY 4 26.588 63.779 63.779
27 2HA GLY 4 2HA GLY 4 26.015 63.616 63.616
28 H ASP 5 H ASP 5 24.884 66.276 66.276
29 HA ASP 5 HA ASP 5 26.290 68.124 68.124
30 1HB ASP 5 1HB ASP 5 24.840 69.851 69.851
31 2HB ASP 5 2HB ASP 5 24.022 68.744 68.744
32 H GLY 6 H GLY 6 26.427 66.963 66.963
33 1HA GLY 6 1HA GLY 6 28.709 67.352 67.352
34 2HA GLY 6 2HA GLY 6 28.489 69.047 69.047
35 H TYR 7 H TYR 7 25.544 68.803 68.803
36 HA TYR 7 HA TYR 7 25.991 68.790 68.790
37 1HB TYR 7 1HB TYR 7 24.185 70.587 70.587
38 2HB TYR 7 2HB TYR 7 25.735 71.081 71.081
39 HD1 TYR 7 HD1 TYR 7 22.281 70.008 70.008
40 HD2 TYR 7 HD2 TYR 7 25.954 71.676 71.676
41 HE1 TYR 7 HE1 TYR 7 21.158 70.595 70.595
42 HE2 TYR 7 HE2 TYR 7 24.830 72.263 72.263
43 HH TYR 7 HH TYR 7 21.366 71.574 71.574
44 H ILE 8 H ILE 8 24.091 68.251 68.251
45 HA ILE 8 HA ILE 8 22.174 66.507 66.507
46 HB ILE 8 HB ILE 8 23.304 66.369 66.369
47 1HG1 ILE 8 1HG1 ILE 8 23.256 63.863 63.863
48 2HG1 ILE 8 2HG1 ILE 8 23.550 64.918 64.918
49 1HG2 ILE 8 1HG2 ILE 8 20.782 66.070 66.070
50 2HG2 ILE 8 2HG2 ILE 8 21.017 64.694 64.694
51 3HG2 ILE 8 3HG2 ILE 8 21.696 64.666 64.666
52 1HD1 ILE 8 1HD1 ILE 8 25.145 65.812 65.812
53 2HD1 ILE 8 2HD1 ILE 8 25.421 64.089 64.089
54 3HD1 ILE 8 3HD1 ILE 8 25.683 65.228 65.228
55 H SER 9 H SER 9 20.159 67.385 67.385
56 HA SER 9 HA SER 9 19.422 69.703 69.703
57 1HB SER 9 1HB SER 9 17.764 68.052 68.052
58 2HB SER 9 2HB SER 9 17.281 69.594 69.594
59 HG SER 9 HG SER 9 18.871 70.599 70.599
60 H ALA 10 H ALA 10 17.167 69.668 69.668
61 HA ALA 10 HA ALA 10 17.193 67.952 67.952
62 1HB ALA 10 1HB ALA 10 14.830 69.309 69.309
63 2HB ALA 10 2HB ALA 10 14.775 68.563 68.563
64 3HB ALA 10 3HB ALA 10 15.816 69.958 69.958
65 H ALA 11 H ALA 11 14.624 67.687 67.687
66 HA ALA 11 HA ALA 11 13.880 65.047 65.047
67 1HB ALA 11 1HB ALA 11 13.884 66.383 66.383
68 2HB ALA 11 2HB ALA 11 12.960 64.945 64.945
69 3HB ALA 11 3HB ALA 11 12.591 66.491 66.491
70 H GLU 12 H GLU 12 16.692 66.230 66.230
71 HA GLU 12 HA GLU 12 17.376 63.758 63.758
72 1HB GLU 12 1HB GLU 12 18.259 66.281 66.281
73 2HB GLU 12 2HB GLU 12 19.502 65.676 65.676
74 1HG GLU 12 1HG GLU 12 20.169 63.985 63.985
75 2HG GLU 12 2HG GLU 12 18.714 64.179 64.179
76 H ALA 13 H ALA 13 18.828 65.383 65.383
77 HA ALA 13 HA ALA 13 20.485 63.321 63.321
78 1HB ALA 13 1HB ALA 13 19.092 65.599 65.599
79 2HB ALA 13 2HB ALA 13 19.477 64.282 64.282
80 3HB ALA 13 3HB ALA 13 20.762 65.063 65.063
81 H ALA 14 H ALA 14 17.017 63.754 63.754
82 HA ALA 14 HA ALA 14 16.479 61.642 61.642
83 1HB ALA 14 1HB ALA 14 14.947 63.314 63.314
84 2HB ALA 14 2HB ALA 14 14.579 61.694 61.694
85 3HB ALA 14 3HB ALA 14 14.318 62.094 62.094
86 H ALA 15 H ALA 15 17.205 61.598 61.598
87 HA ALA 15 HA ALA 15 16.913 58.655 58.655
88 1HB ALA 15 1HB ALA 15 17.310 60.858 60.858
89 2HB ALA 15 2HB ALA 15 17.859 59.239 59.239
90 3HB ALA 15 3HB ALA 15 16.165 59.518 59.518
91 H GLN 16 H GLN 16 19.375 61.142 61.142
92 HA GLN 16 HA GLN 16 21.550 59.249 59.249
93 1HB GLN 16 1HB GLN 16 22.002 61.964 61.964
94 2HB GLN 16 2HB GLN 16 22.990 61.088 61.088
95 1HG GLN 16 1HG GLN 16 20.502 62.704 62.704
96 2HG GLN 16 2HG GLN 16 22.020 62.718 62.718
97 1HE2 GLN 16 1HE2 GLN 16 19.072 60.567 60.567
98 2HE2 GLN 16 2HE2 GLN 16 18.889 61.887 61.887
99 1HN NH2 17 1HN NH2 17 21.239 61.043 61.043
100 2HN NH2 17 2HN NH2 17 22.857 60.650 60.650
Start of MODEL 23
1 1H ACE 0 1H ACE 0 26.278 59.750 59.750
2 2H ACE 0 2H ACE 0 24.800 59.381 59.381
3 3H ACE 0 3H ACE 0 25.776 60.778 60.778
4 H ASP 1 H ASP 1 26.250 62.046 62.046
5 HA ASP 1 HA ASP 1 23.868 63.461 63.461
6 1HB ASP 1 1HB ASP 1 26.173 64.242 64.242
7 2HB ASP 1 2HB ASP 1 26.190 63.071 63.071
8 H LYS 2 H LYS 2 22.114 63.035 63.035
9 HA LYS 2 HA LYS 2 22.187 60.481 60.481
10 1HB LYS 2 1HB LYS 2 20.342 60.808 60.808
11 2HB LYS 2 2HB LYS 2 19.821 62.235 62.235
12 1HG LYS 2 1HG LYS 2 19.672 60.712 60.712
13 2HG LYS 2 2HG LYS 2 19.839 59.359 59.359
14 1HD LYS 2 1HD LYS 2 17.893 60.902 60.902
15 2HD LYS 2 2HD LYS 2 17.521 61.087 61.087
16 1HE LYS 2 1HE LYS 2 18.050 58.403 58.403
17 2HE LYS 2 2HE LYS 2 17.309 58.701 58.701
18 1HZ LYS 2 1HZ LYS 2 16.077 59.810 59.810
19 2HZ LYS 2 2HZ LYS 2 15.824 58.178 58.178
20 3HZ LYS 2 3HZ LYS 2 15.352 59.396 59.396
21 H ASP 3 H ASP 3 21.980 63.934 63.934
22 HA ASP 3 HA ASP 3 21.193 63.569 63.569
23 1HB ASP 3 1HB ASP 3 21.542 65.994 65.994
24 2HB ASP 3 2HB ASP 3 21.328 66.134 66.134
25 H GLY 4 H GLY 4 24.012 63.725 63.725
26 1HA GLY 4 1HA GLY 4 26.274 63.914 63.914
27 2HA GLY 4 2HA GLY 4 25.754 63.552 63.552
28 H ASP 5 H ASP 5 24.744 66.317 66.317
29 HA ASP 5 HA ASP 5 25.742 68.101 68.101
30 1HB ASP 5 1HB ASP 5 24.367 69.836 69.836
31 2HB ASP 5 2HB ASP 5 23.429 68.469 68.469
32 H GLY 6 H GLY 6 25.824 67.831 67.831
33 1HA GLY 6 1HA GLY 6 28.515 68.274 68.274
34 2HA GLY 6 2HA GLY 6 27.865 69.902 69.902
35 H TYR 7 H TYR 7 25.237 68.922 68.922
36 HA TYR 7 HA TYR 7 26.102 68.509 68.509
37 1HB TYR 7 1HB TYR 7 24.313 70.302 70.302
38 2HB TYR 7 2HB TYR 7 25.892 70.853 70.853
39 HD1 TYR 7 HD1 TYR 7 22.348 70.370 70.370
40 HD2 TYR 7 HD2 TYR 7 26.176 71.858 71.858
41 HE1 TYR 7 HE1 TYR 7 21.267 71.542 71.542
42 HE2 TYR 7 HE2 TYR 7 25.095 73.029 73.029
43 HH TYR 7 HH TYR 7 22.936 72.719 72.719
44 H ILE 8 H ILE 8 24.096 68.108 68.108
45 HA ILE 8 HA ILE 8 22.158 66.441 66.441
46 HB ILE 8 HB ILE 8 23.278 66.237 66.237
47 1HG1 ILE 8 1HG1 ILE 8 23.135 63.744 63.744
48 2HG1 ILE 8 2HG1 ILE 8 23.472 64.808 64.808
49 1HG2 ILE 8 1HG2 ILE 8 20.741 66.006 66.006
50 2HG2 ILE 8 2HG2 ILE 8 20.945 64.620 64.620
51 3HG2 ILE 8 3HG2 ILE 8 21.629 64.589 64.589
52 1HD1 ILE 8 1HD1 ILE 8 25.180 65.796 65.796
53 2HD1 ILE 8 2HD1 ILE 8 25.198 64.069 64.069
54 3HD1 ILE 8 3HD1 ILE 8 25.638 64.642 64.642
55 H SER 9 H SER 9 20.121 67.298 67.298
56 HA SER 9 HA SER 9 19.397 69.618 69.618
57 1HB SER 9 1HB SER 9 17.768 68.001 68.001
58 2HB SER 9 2HB SER 9 17.256 69.519 69.519
59 HG SER 9 HG SER 9 18.829 69.115 69.115
60 H ALA 10 H ALA 10 16.978 69.493 69.493
61 HA ALA 10 HA ALA 10 17.019 67.791 67.791
62 1HB ALA 10 1HB ALA 10 15.106 69.629 69.629
63 2HB ALA 10 2HB ALA 10 14.330 68.294 68.294
64 3HB ALA 10 3HB ALA 10 15.445 69.357 69.357
65 H ALA 11 H ALA 11 14.491 67.518 67.518
66 HA ALA 11 HA ALA 11 13.771 64.866 64.866
67 1HB ALA 11 1HB ALA 11 12.901 66.671 66.671
68 2HB ALA 11 2HB ALA 11 13.861 65.657 65.657
69 3HB ALA 11 3HB ALA 11 12.538 64.952 64.952
70 H GLU 12 H GLU 12 16.607 66.109 66.109
71 HA GLU 12 HA GLU 12 17.395 63.657 63.657
72 1HB GLU 12 1HB GLU 12 18.215 66.209 66.209
73 2HB GLU 12 2HB GLU 12 19.443 65.628 65.628
74 1HG GLU 12 1HG GLU 12 20.199 63.971 63.971
75 2HG GLU 12 2HG GLU 12 18.761 64.120 64.120
76 H ALA 13 H ALA 13 18.715 65.316 65.316
77 HA ALA 13 HA ALA 13 20.389 63.273 63.273
78 1HB ALA 13 1HB ALA 13 18.837 65.456 65.456
79 2HB ALA 13 2HB ALA 13 19.556 64.210 64.210
80 3HB ALA 13 3HB ALA 13 20.579 65.185 65.185
81 H ALA 14 H ALA 14 16.911 63.704 63.704
82 HA ALA 14 HA ALA 14 16.385 61.611 61.611
83 1HB ALA 14 1HB ALA 14 14.782 63.263 63.263
84 2HB ALA 14 2HB ALA 14 14.604 61.833 61.833
85 3HB ALA 14 3HB ALA 14 14.177 61.759 61.759
86 H ALA 15 H ALA 15 17.155 61.520 61.520
87 HA ALA 15 HA ALA 15 16.880 58.575 58.575
88 1HB ALA 15 1HB ALA 15 17.134 60.772 60.772
89 2HB ALA 15 2HB ALA 15 17.917 59.254 59.254
90 3HB ALA 15 3HB ALA 15 16.190 59.283 59.283
91 H GLN 16 H GLN 16 19.345 61.086 61.086
92 HA GLN 16 HA GLN 16 21.519 59.185 59.185
93 1HB GLN 16 1HB GLN 16 21.962 61.926 61.926
94 2HB GLN 16 2HB GLN 16 22.962 61.027 61.027
95 1HG GLN 16 1HG GLN 16 20.499 62.655 62.655
96 2HG GLN 16 2HG GLN 16 22.006 62.593 62.593
97 1HE2 GLN 16 1HE2 GLN 16 19.004 60.527 60.527
98 2HE2 GLN 16 2HE2 GLN 16 18.896 61.929 61.929
99 1HN NH2 17 1HN NH2 17 20.098 58.702 58.702
100 2HN NH2 17 2HN NH2 17 20.145 60.392 60.392
Start of MODEL 24
1 1H ACE 0 1H ACE 0 26.602 60.357 60.357
2 2H ACE 0 2H ACE 0 25.197 59.326 59.326
3 3H ACE 0 3H ACE 0 25.462 60.743 60.743
4 H ASP 1 H ASP 1 26.356 62.207 62.207
5 HA ASP 1 HA ASP 1 23.955 63.582 63.582
6 1HB ASP 1 1HB ASP 1 26.282 64.345 64.345
7 2HB ASP 1 2HB ASP 1 26.234 63.207 63.207
8 H LYS 2 H LYS 2 22.224 63.155 63.155
9 HA LYS 2 HA LYS 2 22.301 60.572 60.572
10 1HB LYS 2 1HB LYS 2 20.457 60.667 60.667
11 2HB LYS 2 2HB LYS 2 20.030 62.298 62.298
12 1HG LYS 2 1HG LYS 2 19.476 61.441 61.441
13 2HG LYS 2 2HG LYS 2 19.884 59.807 59.807
14 1HD LYS 2 1HD LYS 2 17.766 59.573 59.573
15 2HD LYS 2 2HD LYS 2 18.092 60.814 60.814
16 1HE LYS 2 1HE LYS 2 16.913 62.385 62.385
17 2HE LYS 2 2HE LYS 2 17.599 61.904 61.904
18 1HZ LYS 2 1HZ LYS 2 16.046 59.804 59.804
19 2HZ LYS 2 2HZ LYS 2 15.143 61.067 61.067
20 3HZ LYS 2 3HZ LYS 2 15.553 61.114 61.114
21 H ASP 3 H ASP 3 22.254 63.986 63.986
22 HA ASP 3 HA ASP 3 21.251 63.681 63.681
23 1HB ASP 3 1HB ASP 3 20.791 65.665 65.665
24 2HB ASP 3 2HB ASP 3 22.267 66.296 66.296
25 H GLY 4 H GLY 4 24.216 64.189 64.189
26 1HA GLY 4 1HA GLY 4 26.399 63.734 63.734
27 2HA GLY 4 2HA GLY 4 25.733 63.791 63.791
28 H ASP 5 H ASP 5 25.075 66.314 66.314
29 HA ASP 5 HA ASP 5 26.633 68.177 68.177
30 1HB ASP 5 1HB ASP 5 25.228 69.889 69.889
31 2HB ASP 5 2HB ASP 5 24.505 69.093 69.093
32 H GLY 6 H GLY 6 26.641 66.663 66.663
33 1HA GLY 6 1HA GLY 6 28.717 66.817 66.817
34 2HA GLY 6 2HA GLY 6 28.816 68.517 68.517
35 H TYR 7 H TYR 7 25.737 68.575 68.575
36 HA TYR 7 HA TYR 7 25.974 68.771 68.771
37 1HB TYR 7 1HB TYR 7 24.516 70.706 70.706
38 2HB TYR 7 2HB TYR 7 25.848 70.981 70.981
39 HD1 TYR 7 HD1 TYR 7 25.505 70.843 70.843
40 HD2 TYR 7 HD2 TYR 7 22.255 70.315 70.315
41 HE1 TYR 7 HE1 TYR 7 23.885 71.130 71.130
42 HE2 TYR 7 HE2 TYR 7 20.634 70.602 70.602
43 HH TYR 7 HH TYR 7 20.640 70.306 70.306
44 H ILE 8 H ILE 8 24.110 68.204 68.204
45 HA ILE 8 HA ILE 8 22.146 66.521 66.521
46 HB ILE 8 HB ILE 8 23.244 66.373 66.373
47 1HG1 ILE 8 1HG1 ILE 8 23.266 63.872 63.872
48 2HG1 ILE 8 2HG1 ILE 8 23.431 64.844 64.844
49 1HG2 ILE 8 1HG2 ILE 8 20.699 66.095 66.095
50 2HG2 ILE 8 2HG2 ILE 8 20.988 64.673 64.673
51 3HG2 ILE 8 3HG2 ILE 8 21.603 64.731 64.731
52 1HD1 ILE 8 1HD1 ILE 8 25.132 65.974 65.974
53 2HD1 ILE 8 2HD1 ILE 8 25.438 64.238 64.238
54 3HD1 ILE 8 3HD1 ILE 8 25.598 65.208 65.208
55 H SER 9 H SER 9 20.099 67.342 67.342
56 HA SER 9 HA SER 9 19.412 69.716 69.716
57 1HB SER 9 1HB SER 9 17.711 68.095 68.095
58 2HB SER 9 2HB SER 9 17.292 69.668 69.668
59 HG SER 9 HG SER 9 19.676 69.181 69.181
60 H ALA 10 H ALA 10 17.347 69.772 69.772
61 HA ALA 10 HA ALA 10 17.286 67.994 67.994
62 1HB ALA 10 1HB ALA 10 15.874 70.173 70.173
63 2HB ALA 10 2HB ALA 10 14.661 69.015 69.015
64 3HB ALA 10 3HB ALA 10 15.257 68.954 68.954
65 H ALA 11 H ALA 11 14.716 67.836 67.836
66 HA ALA 11 HA ALA 11 13.886 65.213 65.213
67 1HB ALA 11 1HB ALA 11 12.717 66.822 66.822
68 2HB ALA 11 2HB ALA 11 13.930 66.444 66.444
69 3HB ALA 11 3HB ALA 11 12.843 65.184 65.184
70 H GLU 12 H GLU 12 16.697 66.336 66.336
71 HA GLU 12 HA GLU 12 17.300 63.849 63.849
72 1HB GLU 12 1HB GLU 12 18.228 66.339 66.339
73 2HB GLU 12 2HB GLU 12 19.471 65.740 65.740
74 1HG GLU 12 1HG GLU 12 20.095 64.002 64.002
75 2HG GLU 12 2HG GLU 12 18.650 64.229 64.229
76 H ALA 13 H ALA 13 18.776 65.425 65.425
77 HA ALA 13 HA ALA 13 20.435 63.337 63.337
78 1HB ALA 13 1HB ALA 13 19.340 65.714 65.714
79 2HB ALA 13 2HB ALA 13 19.159 64.399 64.399
80 3HB ALA 13 3HB ALA 13 20.754 64.799 64.799
81 H ALA 14 H ALA 14 16.975 63.805 63.805
82 HA ALA 14 HA ALA 14 16.443 61.654 61.654
83 1HB ALA 14 1HB ALA 14 14.810 63.372 63.372
84 2HB ALA 14 2HB ALA 14 14.678 62.162 62.162
85 3HB ALA 14 3HB ALA 14 14.207 61.757 61.757
86 H ALA 15 H ALA 15 17.167 61.693 61.693
87 HA ALA 15 HA ALA 15 16.831 58.761 58.761
88 1HB ALA 15 1HB ALA 15 17.343 61.000 61.000
89 2HB ALA 15 2HB ALA 15 17.742 59.347 59.347
90 3HB ALA 15 3HB ALA 15 16.083 59.766 59.766
91 H GLN 16 H GLN 16 19.306 61.183 61.183
92 HA GLN 16 HA GLN 16 21.459 59.243 59.243
93 1HB GLN 16 1HB GLN 16 21.976 61.992 61.992
94 2HB GLN 16 2HB GLN 16 22.936 61.052 61.052
95 1HG GLN 16 1HG GLN 16 20.486 62.714 62.714
96 2HG GLN 16 2HG GLN 16 21.997 62.652 62.652
97 1HE2 GLN 16 1HE2 GLN 16 19.029 60.627 60.627
98 2HE2 GLN 16 2HE2 GLN 16 18.939 62.062 62.062
99 1HN NH2 17 1HN NH2 17 20.974 61.303 61.303
100 2HN NH2 17 2HN NH2 17 22.540 60.693 60.693
Start of MODEL 25
1 1H ACE 0 1H ACE 0 25.293 60.396 60.396
2 2H ACE 0 2H ACE 0 26.537 60.275 60.275
3 3H ACE 0 3H ACE 0 25.198 59.126 59.126
4 H ASP 1 H ASP 1 26.302 61.996 61.996
5 HA ASP 1 HA ASP 1 23.973 63.538 63.538
6 1HB ASP 1 1HB ASP 1 26.369 64.069 64.069
7 2HB ASP 1 2HB ASP 1 26.018 63.096 63.096
8 H LYS 2 H LYS 2 22.082 63.100 63.100
9 HA LYS 2 HA LYS 2 21.770 60.596 60.596
10 1HB LYS 2 1HB LYS 2 20.084 62.118 62.118
11 2HB LYS 2 2HB LYS 2 19.548 62.527 62.527
12 1HG LYS 2 1HG LYS 2 19.970 59.671 59.671
13 2HG LYS 2 2HG LYS 2 18.420 60.497 60.497
14 1HD LYS 2 1HD LYS 2 18.347 60.897 60.897
15 2HD LYS 2 2HD LYS 2 19.935 60.154 60.154
16 1HE LYS 2 1HE LYS 2 19.028 58.095 58.095
17 2HE LYS 2 2HE LYS 2 18.180 58.383 58.383
18 1HZ LYS 2 1HZ LYS 2 16.581 59.743 59.743
19 2HZ LYS 2 2HZ LYS 2 17.269 58.932 58.932
20 3HZ LYS 2 3HZ LYS 2 16.490 58.050 58.050
21 H ASP 3 H ASP 3 21.979 64.040 64.040
22 HA ASP 3 HA ASP 3 21.391 63.514 63.514
23 1HB ASP 3 1HB ASP 3 21.606 65.966 65.966
24 2HB ASP 3 2HB ASP 3 21.838 66.118 66.118
25 H GLY 4 H GLY 4 24.060 63.585 63.585
26 1HA GLY 4 1HA GLY 4 26.369 63.600 63.600
27 2HA GLY 4 2HA GLY 4 25.955 63.175 63.175
28 H ASP 5 H ASP 5 24.962 66.117 66.117
29 HA ASP 5 HA ASP 5 26.286 67.689 67.689
30 1HB ASP 5 1HB ASP 5 24.886 69.552 69.552
31 2HB ASP 5 2HB ASP 5 23.893 68.134 68.134
32 H GLY 6 H GLY 6 26.217 67.313 67.313
33 1HA GLY 6 1HA GLY 6 28.796 67.753 67.753
34 2HA GLY 6 2HA GLY 6 28.273 69.404 69.404
35 H TYR 7 H TYR 7 25.512 68.818 68.818
36 HA TYR 7 HA TYR 7 26.139 68.469 68.469
37 1HB TYR 7 1HB TYR 7 24.567 70.370 70.370
38 2HB TYR 7 2HB TYR 7 26.047 70.861 70.861
39 HD1 TYR 7 HD1 TYR 7 22.432 70.188 70.188
40 HD2 TYR 7 HD2 TYR 7 26.009 71.717 71.717
41 HE1 TYR 7 HE1 TYR 7 21.081 71.151 71.151
42 HE2 TYR 7 HE2 TYR 7 24.658 72.681 72.681
43 HH TYR 7 HH TYR 7 21.594 73.303 73.303
44 H ILE 8 H ILE 8 24.148 68.070 68.070
45 HA ILE 8 HA ILE 8 22.181 66.499 66.499
46 HB ILE 8 HB ILE 8 23.163 66.242 66.242
47 1HG1 ILE 8 1HG1 ILE 8 23.244 63.783 63.783
48 2HG1 ILE 8 2HG1 ILE 8 23.525 64.837 64.837
49 1HG2 ILE 8 1HG2 ILE 8 20.632 65.962 65.962
50 2HG2 ILE 8 2HG2 ILE 8 20.977 64.586 64.586
51 3HG2 ILE 8 3HG2 ILE 8 21.504 64.569 64.569
52 1HD1 ILE 8 1HD1 ILE 8 25.284 66.019 66.019
53 2HD1 ILE 8 2HD1 ILE 8 25.131 64.672 64.672
54 3HD1 ILE 8 3HD1 ILE 8 25.686 64.382 64.382
55 H SER 9 H SER 9 20.109 67.244 67.244
56 HA SER 9 HA SER 9 19.399 69.617 69.617
57 1HB SER 9 1HB SER 9 17.803 68.009 68.009
58 2HB SER 9 2HB SER 9 17.269 69.517 69.517
59 HG SER 9 HG SER 9 19.698 69.214 69.214
60 H ALA 10 H ALA 10 17.197 69.617 69.617
61 HA ALA 10 HA ALA 10 17.116 67.798 67.798
62 1HB ALA 10 1HB ALA 10 15.148 69.657 69.657
63 2HB ALA 10 2HB ALA 10 14.503 68.428 68.428
64 3HB ALA 10 3HB ALA 10 15.715 69.572 69.572
65 H ALA 11 H ALA 11 14.674 67.745 67.745
66 HA ALA 11 HA ALA 11 13.738 65.136 65.136
67 1HB ALA 11 1HB ALA 11 12.900 66.949 66.949
68 2HB ALA 11 2HB ALA 11 14.006 66.162 66.162
69 3HB ALA 11 3HB ALA 11 12.683 65.246 65.246
70 H GLU 12 H GLU 12 16.711 66.199 66.199
71 HA GLU 12 HA GLU 12 17.366 63.716 63.716
72 1HB GLU 12 1HB GLU 12 18.331 66.246 66.246
73 2HB GLU 12 2HB GLU 12 19.532 65.525 65.525
74 1HG GLU 12 1HG GLU 12 20.175 63.927 63.927
75 2HG GLU 12 2HG GLU 12 18.707 64.157 64.157
76 H ALA 13 H ALA 13 18.791 65.297 65.297
77 HA ALA 13 HA ALA 13 20.364 63.235 63.235
78 1HB ALA 13 1HB ALA 13 19.236 65.638 65.638
79 2HB ALA 13 2HB ALA 13 18.943 64.366 64.366
80 3HB ALA 13 3HB ALA 13 20.588 64.712 64.712
81 H ALA 14 H ALA 14 16.880 63.640 63.640
82 HA ALA 14 HA ALA 14 16.234 61.631 61.631
83 1HB ALA 14 1HB ALA 14 14.851 63.043 63.043
84 2HB ALA 14 2HB ALA 14 14.468 61.331 61.331
85 3HB ALA 14 3HB ALA 14 14.155 62.153 62.153
86 H ALA 15 H ALA 15 17.171 61.349 61.349
87 HA ALA 15 HA ALA 15 17.054 58.392 58.392
88 1HB ALA 15 1HB ALA 15 17.363 60.432 60.432
89 2HB ALA 15 2HB ALA 15 18.056 58.835 58.835
90 3HB ALA 15 3HB ALA 15 16.332 59.003 59.003
91 H GLN 16 H GLN 16 19.358 61.025 61.025
92 HA GLN 16 HA GLN 16 21.650 59.200 59.200
93 1HB GLN 16 1HB GLN 16 22.002 62.037 62.037
94 2HB GLN 16 2HB GLN 16 22.969 61.090 61.090
95 1HG GLN 16 1HG GLN 16 20.369 62.525 62.525
96 2HG GLN 16 2HG GLN 16 21.863 62.601 62.601
97 1HE2 GLN 16 1HE2 GLN 16 19.103 60.213 60.213
98 2HE2 GLN 16 2HE2 GLN 16 18.866 61.649 61.649
99 1HN NH2 17 1HN NH2 17 22.974 59.841 59.841
100 2HN NH2 17 2HN NH2 17 23.420 60.500 60.500
Start of MODEL 26
1 1H ACE 0 1H ACE 0 25.113 59.713 59.713
2 2H ACE 0 2H ACE 0 26.127 61.130 61.130
3 3H ACE 0 3H ACE 0 26.512 60.005 60.005
4 H ASP 1 H ASP 1 26.409 62.197 62.197
5 HA ASP 1 HA ASP 1 24.012 63.615 63.615
6 1HB ASP 1 1HB ASP 1 26.467 63.986 63.986
7 2HB ASP 1 2HB ASP 1 25.855 63.101 63.101
8 H LYS 2 H LYS 2 22.227 63.283 63.283
9 HA LYS 2 HA LYS 2 21.563 60.582 60.582
10 1HB LYS 2 1HB LYS 2 19.917 62.406 62.406
11 2HB LYS 2 2HB LYS 2 20.225 63.114 63.114
12 1HG LYS 2 1HG LYS 2 19.755 60.425 60.425
13 2HG LYS 2 2HG LYS 2 18.582 60.806 60.806
14 1HD LYS 2 1HD LYS 2 17.506 62.411 62.411
15 2HD LYS 2 2HD LYS 2 18.941 62.737 62.737
16 1HE LYS 2 1HE LYS 2 18.698 60.640 60.640
17 2HE LYS 2 2HE LYS 2 17.391 60.136 60.136
18 1HZ LYS 2 1HZ LYS 2 17.278 62.551 62.551
19 2HZ LYS 2 2HZ LYS 2 16.644 61.041 61.041
20 3HZ LYS 2 3HZ LYS 2 16.008 61.866 61.866
21 H ASP 3 H ASP 3 22.963 63.280 63.280
22 HA ASP 3 HA ASP 3 22.967 61.569 61.569
23 1HB ASP 3 1HB ASP 3 22.543 64.472 64.472
24 2HB ASP 3 2HB ASP 3 23.558 64.047 64.047
25 H GLY 4 H GLY 4 24.887 64.140 64.140
26 1HA GLY 4 1HA GLY 4 27.257 63.183 63.183
27 2HA GLY 4 2HA GLY 4 27.329 62.902 62.902
28 H ASP 5 H ASP 5 25.998 65.666 65.666
29 HA ASP 5 HA ASP 5 27.778 67.417 67.417
30 1HB ASP 5 1HB ASP 5 25.971 69.105 69.105
31 2HB ASP 5 2HB ASP 5 25.815 68.476 68.476
32 H GLY 6 H GLY 6 27.366 66.168 66.168
33 1HA GLY 6 1HA GLY 6 28.942 66.531 66.531
34 2HA GLY 6 2HA GLY 6 29.392 68.065 68.065
35 H TYR 7 H TYR 7 26.045 67.773 67.773
36 HA TYR 7 HA TYR 7 25.830 69.098 69.098
37 1HB TYR 7 1HB TYR 7 24.561 70.065 70.065
38 2HB TYR 7 2HB TYR 7 24.261 70.746 70.746
39 HD1 TYR 7 HD1 TYR 7 26.865 70.799 70.799
40 HD2 TYR 7 HD2 TYR 7 25.820 71.616 71.616
41 HE1 TYR 7 HE1 TYR 7 28.880 72.225 72.225
42 HE2 TYR 7 HE2 TYR 7 27.835 73.043 73.043
43 HH TYR 7 HH TYR 7 29.892 73.775 73.775
44 H ILE 8 H ILE 8 24.210 68.230 68.230
45 HA ILE 8 HA ILE 8 22.220 66.499 66.499
46 HB ILE 8 HB ILE 8 23.361 66.471 66.471
47 1HG1 ILE 8 1HG1 ILE 8 23.471 63.949 63.949
48 2HG1 ILE 8 2HG1 ILE 8 23.404 64.741 64.741
49 1HG2 ILE 8 1HG2 ILE 8 20.833 66.194 66.194
50 2HG2 ILE 8 2HG2 ILE 8 21.065 64.762 64.762
51 3HG2 ILE 8 3HG2 ILE 8 21.738 64.817 64.817
52 1HD1 ILE 8 1HD1 ILE 8 25.314 65.774 65.774
53 2HD1 ILE 8 2HD1 ILE 8 25.734 64.320 64.320
54 3HD1 ILE 8 3HD1 ILE 8 25.434 65.834 65.834
55 H SER 9 H SER 9 20.163 67.261 67.261
56 HA SER 9 HA SER 9 19.462 69.704 69.704
57 1HB SER 9 1HB SER 9 17.857 67.995 67.995
58 2HB SER 9 2HB SER 9 17.301 69.516 69.516
59 HG SER 9 HG SER 9 19.694 69.186 69.186
60 H ALA 10 H ALA 10 16.909 69.498 69.498
61 HA ALA 10 HA ALA 10 16.999 67.949 67.949
62 1HB ALA 10 1HB ALA 10 15.295 69.896 69.896
63 2HB ALA 10 2HB ALA 10 14.281 68.478 68.478
64 3HB ALA 10 3HB ALA 10 15.183 69.188 69.188
65 H ALA 11 H ALA 11 14.497 67.498 67.498
66 HA ALA 11 HA ALA 11 13.849 64.851 64.851
67 1HB ALA 11 1HB ALA 11 13.487 66.594 66.594
68 2HB ALA 11 2HB ALA 11 13.586 64.886 64.886
69 3HB ALA 11 3HB ALA 11 12.365 65.439 65.439
70 H GLU 12 H GLU 12 16.636 66.108 66.108
71 HA GLU 12 HA GLU 12 17.497 63.626 63.626
72 1HB GLU 12 1HB GLU 12 18.251 66.198 66.198
73 2HB GLU 12 2HB GLU 12 19.499 65.670 65.670
74 1HG GLU 12 1HG GLU 12 20.280 63.994 63.994
75 2HG GLU 12 2HG GLU 12 18.829 64.090 64.090
76 H ALA 13 H ALA 13 18.773 65.442 65.442
77 HA ALA 13 HA ALA 13 20.487 63.508 63.508
78 1HB ALA 13 1HB ALA 13 19.040 65.824 65.824
79 2HB ALA 13 2HB ALA 13 19.217 64.560 64.560
80 3HB ALA 13 3HB ALA 13 20.645 65.231 65.231
81 H ALA 14 H ALA 14 16.988 63.807 63.807
82 HA ALA 14 HA ALA 14 16.476 61.756 61.756
83 1HB ALA 14 1HB ALA 14 14.987 62.753 62.753
84 2HB ALA 14 2HB ALA 14 14.385 61.347 61.347
85 3HB ALA 14 3HB ALA 14 14.554 62.897 62.897
86 H ALA 15 H ALA 15 17.365 61.581 61.581
87 HA ALA 15 HA ALA 15 17.175 58.628 58.628
88 1HB ALA 15 1HB ALA 15 17.718 60.720 60.720
89 2HB ALA 15 2HB ALA 15 18.125 59.031 59.031
90 3HB ALA 15 3HB ALA 15 16.455 59.489 59.489
91 H GLN 16 H GLN 16 19.538 61.198 61.198
92 HA GLN 16 HA GLN 16 21.793 59.336 59.336
93 1HB GLN 16 1HB GLN 16 22.197 62.113 62.113
94 2HB GLN 16 2HB GLN 16 23.162 61.202 61.202
95 1HG GLN 16 1HG GLN 16 20.614 62.738 62.738
96 2HG GLN 16 2HG GLN 16 22.130 62.822 62.822
97 1HE2 GLN 16 1HE2 GLN 16 19.410 60.707 60.707
98 2HE2 GLN 16 2HE2 GLN 16 19.251 62.167 62.167
99 1HN NH2 17 1HN NH2 17 22.121 57.948 57.948
100 2HN NH2 17 2HN NH2 17 22.755 58.715 58.715
Start of MODEL 27
1 1H ACE 0 1H ACE 0 26.781 60.538 60.538
2 2H ACE 0 2H ACE 0 25.352 59.741 59.741
3 3H ACE 0 3H ACE 0 25.877 61.291 61.291
4 H ASP 1 H ASP 1 26.473 62.398 62.398
5 HA ASP 1 HA ASP 1 24.022 63.667 63.667
6 1HB ASP 1 1HB ASP 1 26.479 64.146 64.146
7 2HB ASP 1 2HB ASP 1 25.993 63.136 63.136
8 H LYS 2 H LYS 2 22.237 63.066 63.066
9 HA LYS 2 HA LYS 2 21.919 60.304 60.304
10 1HB LYS 2 1HB LYS 2 20.116 62.025 62.025
11 2HB LYS 2 2HB LYS 2 20.117 62.524 62.524
12 1HG LYS 2 1HG LYS 2 20.038 59.623 59.623
13 2HG LYS 2 2HG LYS 2 18.678 60.390 60.390
14 1HD LYS 2 1HD LYS 2 18.579 61.822 61.822
15 2HD LYS 2 2HD LYS 2 19.391 60.405 60.405
16 1HE LYS 2 1HE LYS 2 17.390 59.385 59.385
17 2HE LYS 2 2HE LYS 2 17.321 59.407 59.407
18 1HZ LYS 2 1HZ LYS 2 16.633 61.923 61.923
19 2HZ LYS 2 2HZ LYS 2 15.971 61.093 61.093
20 3HZ LYS 2 3HZ LYS 2 15.519 60.666 60.666
21 H ASP 3 H ASP 3 22.145 63.322 63.322
22 HA ASP 3 HA ASP 3 22.560 61.646 61.646
23 1HB ASP 3 1HB ASP 3 22.199 64.647 64.647
24 2HB ASP 3 2HB ASP 3 21.955 63.560 63.560
25 H GLY 4 H GLY 4 24.363 63.227 63.227
26 1HA GLY 4 1HA GLY 4 26.662 63.713 63.713
27 2HA GLY 4 2HA GLY 4 26.822 62.914 62.914
28 H ASP 5 H ASP 5 25.036 65.825 65.825
29 HA ASP 5 HA ASP 5 26.138 67.236 67.236
30 1HB ASP 5 1HB ASP 5 24.367 68.852 68.852
31 2HB ASP 5 2HB ASP 5 23.662 67.238 67.238
32 H GLY 6 H GLY 6 26.178 67.309 67.309
33 1HA GLY 6 1HA GLY 6 28.602 68.551 68.551
34 2HA GLY 6 2HA GLY 6 27.511 69.913 69.913
35 H TYR 7 H TYR 7 25.214 68.988 68.988
36 HA TYR 7 HA TYR 7 26.145 68.363 68.363
37 1HB TYR 7 1HB TYR 7 24.595 70.812 70.812
38 2HB TYR 7 2HB TYR 7 24.551 70.212 70.212
39 HD1 TYR 7 HD1 TYR 7 26.763 69.905 69.905
40 HD2 TYR 7 HD2 TYR 7 26.428 72.098 72.098
41 HE1 TYR 7 HE1 TYR 7 28.930 71.018 71.018
42 HE2 TYR 7 HE2 TYR 7 28.595 73.210 73.210
43 HH TYR 7 HH TYR 7 30.615 72.818 72.818
44 H ILE 8 H ILE 8 24.072 68.152 68.152
45 HA ILE 8 HA ILE 8 22.080 66.551 66.551
46 HB ILE 8 HB ILE 8 22.980 66.397 66.397
47 1HG1 ILE 8 1HG1 ILE 8 23.279 63.941 63.941
48 2HG1 ILE 8 2HG1 ILE 8 23.313 64.768 64.768
49 1HG2 ILE 8 1HG2 ILE 8 20.403 66.011 66.011
50 2HG2 ILE 8 2HG2 ILE 8 21.041 64.443 64.443
51 3HG2 ILE 8 3HG2 ILE 8 21.220 64.989 64.989
52 1HD1 ILE 8 1HD1 ILE 8 24.973 66.019 66.019
53 2HD1 ILE 8 2HD1 ILE 8 25.512 64.421 64.421
54 3HD1 ILE 8 3HD1 ILE 8 25.345 65.717 65.717
55 H SER 9 H SER 9 20.000 67.281 67.281
56 HA SER 9 HA SER 9 19.364 69.758 69.758
57 1HB SER 9 1HB SER 9 17.690 68.137 68.137
58 2HB SER 9 2HB SER 9 17.271 69.725 69.725
59 HG SER 9 HG SER 9 19.558 70.189 70.189
60 H ALA 10 H ALA 10 16.802 69.641 69.641
61 HA ALA 10 HA ALA 10 16.774 68.028 68.028
62 1HB ALA 10 1HB ALA 10 15.443 70.158 70.158
63 2HB ALA 10 2HB ALA 10 14.344 69.187 69.187
64 3HB ALA 10 3HB ALA 10 14.536 68.839 68.839
65 H ALA 11 H ALA 11 14.376 67.794 67.794
66 HA ALA 11 HA ALA 11 13.544 65.163 65.163
67 1HB ALA 11 1HB ALA 11 13.244 67.033 67.033
68 2HB ALA 11 2HB ALA 11 13.366 65.370 65.370
69 3HB ALA 11 3HB ALA 11 12.115 65.813 65.813
70 H GLU 12 H GLU 12 16.460 66.297 66.297
71 HA GLU 12 HA GLU 12 17.154 63.828 63.828
72 1HB GLU 12 1HB GLU 12 18.079 66.323 66.323
73 2HB GLU 12 2HB GLU 12 19.243 65.738 65.738
74 1HG GLU 12 1HG GLU 12 20.000 64.003 64.003
75 2HG GLU 12 2HG GLU 12 18.630 64.215 64.215
76 H ALA 13 H ALA 13 18.544 65.420 65.420
77 HA ALA 13 HA ALA 13 20.158 63.398 63.398
78 1HB ALA 13 1HB ALA 13 18.755 65.671 65.671
79 2HB ALA 13 2HB ALA 13 18.745 64.325 64.325
80 3HB ALA 13 3HB ALA 13 20.276 64.945 64.945
81 H ALA 14 H ALA 14 16.665 63.659 63.659
82 HA ALA 14 HA ALA 14 16.025 61.560 61.560
83 1HB ALA 14 1HB ALA 14 14.703 62.760 62.760
84 2HB ALA 14 2HB ALA 14 14.087 61.207 61.207
85 3HB ALA 14 3HB ALA 14 14.100 62.599 62.599
86 H ALA 15 H ALA 15 16.983 61.460 61.460
87 HA ALA 15 HA ALA 15 16.889 58.501 58.501
88 1HB ALA 15 1HB ALA 15 17.177 60.636 60.636
89 2HB ALA 15 2HB ALA 15 17.946 59.085 59.085
90 3HB ALA 15 3HB ALA 15 16.210 59.162 59.162
91 H GLN 16 H GLN 16 19.102 61.064 61.064
92 HA GLN 16 HA GLN 16 21.464 59.364 59.364
93 1HB GLN 16 1HB GLN 16 21.609 62.103 62.103
94 2HB GLN 16 2HB GLN 16 22.764 61.305 61.305
95 1HG GLN 16 1HG GLN 16 20.194 62.695 62.695
96 2HG GLN 16 2HG GLN 16 21.781 62.861 62.861
97 1HE2 GLN 16 1HE2 GLN 16 18.766 61.610 61.610
98 2HE2 GLN 16 2HE2 GLN 16 19.188 60.371 60.371
99 1HN NH2 17 1HN NH2 17 22.726 60.048 60.048
100 2HN NH2 17 2HN NH2 17 21.824 61.418 61.418
Start of MODEL 28
1 1H ACE 0 1H ACE 0 26.240 59.752 59.752
2 2H ACE 0 2H ACE 0 25.404 60.543 60.543
3 3H ACE 0 3H ACE 0 26.819 61.303 61.303
4 H ASP 1 H ASP 1 26.565 62.433 62.433
5 HA ASP 1 HA ASP 1 24.092 63.676 63.676
6 1HB ASP 1 1HB ASP 1 26.540 64.187 64.187
7 2HB ASP 1 2HB ASP 1 26.006 63.241 63.241
8 H LYS 2 H LYS 2 22.408 63.260 63.260
9 HA LYS 2 HA LYS 2 21.979 60.469 60.469
10 1HB LYS 2 1HB LYS 2 20.118 61.956 61.956
11 2HB LYS 2 2HB LYS 2 20.390 62.938 62.938
12 1HG LYS 2 1HG LYS 2 19.561 61.319 61.319
13 2HG LYS 2 2HG LYS 2 19.989 59.993 59.993
14 1HD LYS 2 1HD LYS 2 17.962 60.040 60.040
15 2HD LYS 2 2HD LYS 2 18.067 61.781 61.781
16 1HE LYS 2 1HE LYS 2 17.686 61.512 61.512
17 2HE LYS 2 2HE LYS 2 16.603 60.318 60.318
18 1HZ LYS 2 1HZ LYS 2 15.710 62.041 62.041
19 2HZ LYS 2 2HZ LYS 2 16.751 63.189 63.189
20 3HZ LYS 2 3HZ LYS 2 15.533 62.472 62.472
21 H ASP 3 H ASP 3 22.817 63.416 63.416
22 HA ASP 3 HA ASP 3 22.990 61.784 61.784
23 1HB ASP 3 1HB ASP 3 22.184 64.502 64.502
24 2HB ASP 3 2HB ASP 3 23.516 64.494 64.494
25 H GLY 4 H GLY 4 24.831 64.508 64.508
26 1HA GLY 4 1HA GLY 4 27.250 63.562 63.562
27 2HA GLY 4 2HA GLY 4 27.293 63.346 63.346
28 H ASP 5 H ASP 5 25.846 66.019 66.019
29 HA ASP 5 HA ASP 5 27.516 67.882 67.882
30 1HB ASP 5 1HB ASP 5 25.916 69.601 69.601
31 2HB ASP 5 2HB ASP 5 25.020 68.189 68.189
32 H GLY 6 H GLY 6 27.155 66.616 66.616
33 1HA GLY 6 1HA GLY 6 28.986 66.902 66.902
34 2HA GLY 6 2HA GLY 6 29.256 68.515 68.515
35 H TYR 7 H TYR 7 25.960 68.045 68.045
36 HA TYR 7 HA TYR 7 25.835 69.024 69.024
37 1HB TYR 7 1HB TYR 7 24.442 70.338 70.338
38 2HB TYR 7 2HB TYR 7 24.283 70.814 70.814
39 HD1 TYR 7 HD1 TYR 7 26.568 71.277 71.277
40 HD2 TYR 7 HD2 TYR 7 26.057 71.396 71.396
41 HE1 TYR 7 HE1 TYR 7 28.598 72.687 72.687
42 HE2 TYR 7 HE2 TYR 7 28.089 72.805 72.805
43 HH TYR 7 HH TYR 7 30.350 73.040 73.040
44 H ILE 8 H ILE 8 24.071 68.264 68.264
45 HA ILE 8 HA ILE 8 22.145 66.575 66.575
46 HB ILE 8 HB ILE 8 23.312 66.334 66.334
47 1HG1 ILE 8 1HG1 ILE 8 23.385 63.896 63.896
48 2HG1 ILE 8 2HG1 ILE 8 23.050 64.637 64.637
49 1HG2 ILE 8 1HG2 ILE 8 20.757 65.067 65.067
50 2HG2 ILE 8 2HG2 ILE 8 21.622 64.521 64.521
51 3HG2 ILE 8 3HG2 ILE 8 20.913 66.135 66.135
52 1HD1 ILE 8 1HD1 ILE 8 25.091 66.190 66.190
53 2HD1 ILE 8 2HD1 ILE 8 25.551 64.501 64.501
54 3HD1 ILE 8 3HD1 ILE 8 25.237 65.129 65.129
55 H SER 9 H SER 9 20.086 67.358 67.358
56 HA SER 9 HA SER 9 19.380 69.694 69.694
57 1HB SER 9 1HB SER 9 17.656 68.126 68.126
58 2HB SER 9 2HB SER 9 17.301 69.718 69.718
59 HG SER 9 HG SER 9 18.759 69.081 69.081
60 H ALA 10 H ALA 10 17.389 69.719 69.719
61 HA ALA 10 HA ALA 10 17.298 67.824 67.824
62 1HB ALA 10 1HB ALA 10 15.543 69.929 69.929
63 2HB ALA 10 2HB ALA 10 14.610 68.568 68.568
64 3HB ALA 10 3HB ALA 10 15.803 69.364 69.364
65 H ALA 11 H ALA 11 14.716 67.893 67.893
66 HA ALA 11 HA ALA 11 13.765 65.288 65.288
67 1HB ALA 11 1HB ALA 11 13.519 67.292 67.292
68 2HB ALA 11 2HB ALA 11 13.559 65.667 65.667
69 3HB ALA 11 3HB ALA 11 12.346 66.086 66.086
70 H GLU 12 H GLU 12 16.621 66.373 66.373
71 HA GLU 12 HA GLU 12 17.174 63.903 63.903
72 1HB GLU 12 1HB GLU 12 18.159 66.351 66.351
73 2HB GLU 12 2HB GLU 12 19.353 65.760 65.760
74 1HG GLU 12 1HG GLU 12 20.043 64.011 64.011
75 2HG GLU 12 2HG GLU 12 18.639 64.226 64.226
76 H ALA 13 H ALA 13 18.588 65.358 65.358
77 HA ALA 13 HA ALA 13 20.280 63.328 63.328
78 1HB ALA 13 1HB ALA 13 19.155 65.594 65.594
79 2HB ALA 13 2HB ALA 13 18.619 64.272 64.272
80 3HB ALA 13 3HB ALA 13 20.341 64.524 64.524
81 H ALA 14 H ALA 14 16.777 63.474 63.474
82 HA ALA 14 HA ALA 14 16.198 61.307 61.307
83 1HB ALA 14 1HB ALA 14 14.652 62.849 62.849
84 2HB ALA 14 2HB ALA 14 14.727 61.433 61.433
85 3HB ALA 14 3HB ALA 14 14.091 61.284 61.284
86 H ALA 15 H ALA 15 17.272 61.307 61.307
87 HA ALA 15 HA ALA 15 17.347 58.346 58.346
88 1HB ALA 15 1HB ALA 15 17.647 60.534 60.534
89 2HB ALA 15 2HB ALA 15 18.397 58.974 58.974
90 3HB ALA 15 3HB ALA 15 16.656 59.077 59.077
91 H GLN 16 H GLN 16 19.414 61.064 61.064
92 HA GLN 16 HA GLN 16 21.876 59.502 59.502
93 1HB GLN 16 1HB GLN 16 21.868 62.227 62.227
94 2HB GLN 16 2HB GLN 16 23.039 61.516 61.516
95 1HG GLN 16 1HG GLN 16 20.384 62.785 62.785
96 2HG GLN 16 2HG GLN 16 21.942 63.036 63.036
97 1HE2 GLN 16 1HE2 GLN 16 19.465 60.619 60.619
98 2HE2 GLN 16 2HE2 GLN 16 19.055 61.933 61.933
99 1HN NH2 17 1HN NH2 17 23.241 60.955 60.955
100 2HN NH2 17 2HN NH2 17 23.010 59.733 59.733
Start of MODEL 29
1 1H ACE 0 1H ACE 0 25.998 60.938 60.938
2 2H ACE 0 2H ACE 0 26.625 60.016 60.016
3 3H ACE 0 3H ACE 0 25.165 59.477 59.477
4 H ASP 1 H ASP 1 26.445 62.222 62.222
5 HA ASP 1 HA ASP 1 24.013 63.555 63.555
6 1HB ASP 1 1HB ASP 1 26.424 64.205 64.205
7 2HB ASP 1 2HB ASP 1 26.129 63.217 63.217
8 H LYS 2 H LYS 2 22.294 63.172 63.172
9 HA LYS 2 HA LYS 2 21.955 60.475 60.475
10 1HB LYS 2 1HB LYS 2 20.173 62.237 62.237
11 2HB LYS 2 2HB LYS 2 20.177 62.730 62.730
12 1HG LYS 2 1HG LYS 2 19.902 60.210 60.210
13 2HG LYS 2 2HG LYS 2 19.445 60.049 60.049
14 1HD LYS 2 1HD LYS 2 18.013 62.278 62.278
15 2HD LYS 2 2HD LYS 2 17.865 61.028 61.028
16 1HE LYS 2 1HE LYS 2 17.521 59.581 59.581
17 2HE LYS 2 2HE LYS 2 16.749 61.112 61.112
18 1HZ LYS 2 1HZ LYS 2 16.156 60.063 60.063
19 2HZ LYS 2 2HZ LYS 2 15.534 59.165 59.165
20 3HZ LYS 2 3HZ LYS 2 15.131 60.807 60.807
21 H ASP 3 H ASP 3 22.523 63.638 63.638
22 HA ASP 3 HA ASP 3 22.673 62.289 62.289
23 1HB ASP 3 1HB ASP 3 23.065 64.735 64.735
24 2HB ASP 3 2HB ASP 3 21.462 64.308 64.308
25 H GLY 4 H GLY 4 24.711 64.219 64.219
26 1HA GLY 4 1HA GLY 4 27.076 63.453 63.453
27 2HA GLY 4 2HA GLY 4 27.076 63.163 63.163
28 H ASP 5 H ASP 5 25.661 65.972 65.972
29 HA ASP 5 HA ASP 5 27.421 67.707 67.707
30 1HB ASP 5 1HB ASP 5 25.869 69.488 69.488
31 2HB ASP 5 2HB ASP 5 24.920 68.070 68.070
32 H GLY 6 H GLY 6 27.021 66.613 66.613
33 1HA GLY 6 1HA GLY 6 28.972 66.917 66.917
34 2HA GLY 6 2HA GLY 6 29.143 68.544 68.544
35 H TYR 7 H TYR 7 25.920 68.244 68.244
36 HA TYR 7 HA TYR 7 25.847 69.047 69.047
37 1HB TYR 7 1HB TYR 7 24.700 70.450 70.450
38 2HB TYR 7 2HB TYR 7 23.973 70.660 70.660
39 HD1 TYR 7 HD1 TYR 7 27.060 71.120 71.120
40 HD2 TYR 7 HD2 TYR 7 25.080 71.910 71.910
41 HE1 TYR 7 HE1 TYR 7 28.826 72.758 72.758
42 HE2 TYR 7 HE2 TYR 7 26.845 73.549 73.549
43 HH TYR 7 HH TYR 7 29.239 73.974 73.974
44 H ILE 8 H ILE 8 24.105 68.266 68.266
45 HA ILE 8 HA ILE 8 22.196 66.527 66.527
46 HB ILE 8 HB ILE 8 23.389 66.357 66.357
47 1HG1 ILE 8 1HG1 ILE 8 23.400 63.875 63.875
48 2HG1 ILE 8 2HG1 ILE 8 23.204 64.680 64.680
49 1HG2 ILE 8 1HG2 ILE 8 20.935 66.162 66.162
50 2HG2 ILE 8 2HG2 ILE 8 20.899 64.919 64.919
51 3HG2 ILE 8 3HG2 ILE 8 21.739 64.617 64.617
52 1HD1 ILE 8 1HD1 ILE 8 25.223 66.020 66.020
53 2HD1 ILE 8 2HD1 ILE 8 25.613 64.311 64.311
54 3HD1 ILE 8 3HD1 ILE 8 25.364 65.318 65.318
55 H SER 9 H SER 9 20.137 67.328 67.328
56 HA SER 9 HA SER 9 19.428 69.685 69.685
57 1HB SER 9 1HB SER 9 17.756 68.059 68.059
58 2HB SER 9 2HB SER 9 17.301 69.613 69.613
59 HG SER 9 HG SER 9 18.409 69.490 69.490
60 H ALA 10 H ALA 10 17.159 69.670 69.670
61 HA ALA 10 HA ALA 10 17.143 67.932 67.932
62 1HB ALA 10 1HB ALA 10 15.712 70.116 70.116
63 2HB ALA 10 2HB ALA 10 14.505 68.884 68.884
64 3HB ALA 10 3HB ALA 10 15.192 68.994 68.994
65 H ALA 11 H ALA 11 14.665 67.787 67.787
66 HA ALA 11 HA ALA 11 13.786 65.168 65.168
67 1HB ALA 11 1HB ALA 11 12.675 66.808 66.808
68 2HB ALA 11 2HB ALA 11 13.906 66.400 66.400
69 3HB ALA 11 3HB ALA 11 12.783 65.164 65.164
70 H GLU 12 H GLU 12 16.692 66.265 66.265
71 HA GLU 12 HA GLU 12 17.318 63.792 63.792
72 1HB GLU 12 1HB GLU 12 18.219 66.288 66.288
73 2HB GLU 12 2HB GLU 12 19.437 65.716 65.716
74 1HG GLU 12 1HG GLU 12 20.160 64.003 64.003
75 2HG GLU 12 2HG GLU 12 18.728 64.163 64.163
76 H ALA 13 H ALA 13 18.708 65.386 65.386
77 HA ALA 13 HA ALA 13 20.419 63.387 63.387
78 1HB ALA 13 1HB ALA 13 19.464 65.731 65.731
79 2HB ALA 13 2HB ALA 13 18.748 64.533 64.533
80 3HB ALA 13 3HB ALA 13 20.498 64.595 64.595
81 H ALA 14 H ALA 14 16.924 63.592 63.592
82 HA ALA 14 HA ALA 14 16.414 61.457 61.457
83 1HB ALA 14 1HB ALA 14 14.864 63.025 63.025
84 2HB ALA 14 2HB ALA 14 14.688 61.420 61.420
85 3HB ALA 14 3HB ALA 14 14.259 61.686 61.686
86 H ALA 15 H ALA 15 17.313 61.416 61.416
87 HA ALA 15 HA ALA 15 17.224 58.459 58.459
88 1HB ALA 15 1HB ALA 15 16.978 60.535 60.535
89 2HB ALA 15 2HB ALA 15 18.398 59.577 59.577
90 3HB ALA 15 3HB ALA 15 16.826 58.795 58.795
91 H GLN 16 H GLN 16 19.531 61.117 61.117
92 HA GLN 16 HA GLN 16 21.839 59.403 59.403
93 1HB GLN 16 1HB GLN 16 22.114 62.050 62.050
94 2HB GLN 16 2HB GLN 16 23.120 61.332 61.332
95 1HG GLN 16 1HG GLN 16 20.507 62.796 62.796
96 2HG GLN 16 2HG GLN 16 22.005 63.023 63.023
97 1HE2 GLN 16 1HE2 GLN 16 19.338 61.039 61.039
98 2HE2 GLN 16 2HE2 GLN 16 19.169 62.417 62.417
99 1HN NH2 17 1HN NH2 17 21.498 58.162 58.162
100 2HN NH2 17 2HN NH2 17 20.457 58.142 58.142
Start of MODEL 30
1 1H ACE 0 1H ACE 0 25.195 59.801 59.801
2 2H ACE 0 2H ACE 0 26.639 60.659 60.659
3 3H ACE 0 3H ACE 0 26.070 59.245 59.245
4 H ASP 1 H ASP 1 26.443 62.172 62.172
5 HA ASP 1 HA ASP 1 23.957 63.454 63.454
6 1HB ASP 1 1HB ASP 1 26.098 64.553 64.553
7 2HB ASP 1 2HB ASP 1 26.396 63.431 63.431
8 H LYS 2 H LYS 2 22.311 63.176 63.176
9 HA LYS 2 HA LYS 2 22.532 60.750 60.750
10 1HB LYS 2 1HB LYS 2 20.657 60.736 60.736
11 2HB LYS 2 2HB LYS 2 20.102 62.293 62.293
12 1HG LYS 2 1HG LYS 2 19.232 61.380 61.380
13 2HG LYS 2 2HG LYS 2 20.488 60.146 60.146
14 1HD LYS 2 1HD LYS 2 19.280 59.299 59.299
15 2HD LYS 2 2HD LYS 2 17.903 60.095 60.095
16 1HE LYS 2 1HE LYS 2 19.611 57.883 57.883
17 2HE LYS 2 2HE LYS 2 17.901 57.803 57.803
18 1HZ LYS 2 1HZ LYS 2 18.310 59.968 59.968
19 2HZ LYS 2 2HZ LYS 2 19.027 58.589 58.589
20 3HZ LYS 2 3HZ LYS 2 17.386 58.566 58.566
21 H ASP 3 H ASP 3 22.699 64.111 64.111
22 HA ASP 3 HA ASP 3 21.533 64.209 64.209
23 1HB ASP 3 1HB ASP 3 21.183 66.017 66.017
24 2HB ASP 3 2HB ASP 3 22.826 66.524 66.524
25 H GLY 4 H GLY 4 24.524 63.655 63.655
26 1HA GLY 4 1HA GLY 4 26.629 63.296 63.296
27 2HA GLY 4 2HA GLY 4 25.894 63.650 63.650
28 H ASP 5 H ASP 5 25.625 65.875 65.875
29 HA ASP 5 HA ASP 5 27.445 67.740 67.740
30 1HB ASP 5 1HB ASP 5 26.104 69.572 69.572
31 2HB ASP 5 2HB ASP 5 24.993 68.377 68.377
32 H GLY 6 H GLY 6 26.603 66.327 66.327
33 1HA GLY 6 1HA GLY 6 28.538 66.014 66.014
34 2HA GLY 6 2HA GLY 6 29.010 67.668 67.668
35 H TYR 7 H TYR 7 26.134 68.536 68.536
36 HA TYR 7 HA TYR 7 25.939 68.820 68.820
37 1HB TYR 7 1HB TYR 7 25.897 70.936 70.936
38 2HB TYR 7 2HB TYR 7 24.846 70.369 70.369
39 HD1 TYR 7 HD1 TYR 7 24.979 71.092 71.092
40 HD2 TYR 7 HD2 TYR 7 22.486 70.434 70.434
41 HE1 TYR 7 HE1 TYR 7 22.990 71.796 71.796
42 HE2 TYR 7 HE2 TYR 7 20.495 71.140 71.140
43 HH TYR 7 HH TYR 7 19.729 71.759 71.759
44 H ILE 8 H ILE 8 24.169 68.092 68.092
45 HA ILE 8 HA ILE 8 22.171 66.475 66.475
46 HB ILE 8 HB ILE 8 23.212 66.305 66.305
47 1HG1 ILE 8 1HG1 ILE 8 23.185 63.807 63.807
48 2HG1 ILE 8 2HG1 ILE 8 23.607 64.890 64.890
49 1HG2 ILE 8 1HG2 ILE 8 20.648 66.024 66.024
50 2HG2 ILE 8 2HG2 ILE 8 21.035 64.552 64.552
51 3HG2 ILE 8 3HG2 ILE 8 21.538 64.725 64.725
52 1HD1 ILE 8 1HD1 ILE 8 25.335 65.929 65.929
53 2HD1 ILE 8 2HD1 ILE 8 25.028 64.589 64.589
54 3HD1 ILE 8 3HD1 ILE 8 25.677 64.275 64.275
55 H SER 9 H SER 9 20.137 67.346 67.346
56 HA SER 9 HA SER 9 19.524 69.750 69.750
57 1HB SER 9 1HB SER 9 17.739 68.117 68.117
58 2HB SER 9 2HB SER 9 17.368 69.712 69.712
59 HG SER 9 HG SER 9 19.787 69.335 69.335
60 H ALA 10 H ALA 10 17.238 69.774 69.774
61 HA ALA 10 HA ALA 10 17.294 68.071 68.071
62 1HB ALA 10 1HB ALA 10 15.887 70.262 70.262
63 2HB ALA 10 2HB ALA 10 14.654 69.080 69.080
64 3HB ALA 10 3HB ALA 10 15.318 69.099 69.099
65 H ALA 11 H ALA 11 14.796 67.912 67.912
66 HA ALA 11 HA ALA 11 13.903 65.301 65.301
67 1HB ALA 11 1HB ALA 11 13.028 67.165 67.165
68 2HB ALA 11 2HB ALA 11 13.852 66.095 66.095
69 3HB ALA 11 3HB ALA 11 12.553 65.470 65.470
70 H GLU 12 H GLU 12 16.768 66.356 66.356
71 HA GLU 12 HA GLU 12 17.288 63.894 63.894
72 1HB GLU 12 1HB GLU 12 18.274 66.360 66.360
73 2HB GLU 12 2HB GLU 12 19.498 65.723 65.723
74 1HG GLU 12 1HG GLU 12 20.111 64.003 64.003
75 2HG GLU 12 2HG GLU 12 18.664 64.247 64.247
76 H ALA 13 H ALA 13 18.833 65.367 65.367
77 HA ALA 13 HA ALA 13 20.462 63.248 63.248
78 1HB ALA 13 1HB ALA 13 20.084 65.559 65.559
79 2HB ALA 13 2HB ALA 13 18.803 64.746 64.746
80 3HB ALA 13 3HB ALA 13 20.470 64.188 64.188
81 H ALA 14 H ALA 14 17.003 63.679 63.679
82 HA ALA 14 HA ALA 14 16.467 61.503 61.503
83 1HB ALA 14 1HB ALA 14 14.869 63.241 63.241
84 2HB ALA 14 2HB ALA 14 14.678 61.880 61.880
85 3HB ALA 14 3HB ALA 14 14.255 61.699 61.699
86 H ALA 15 H ALA 15 17.246 61.578 61.578
87 HA ALA 15 HA ALA 15 16.924 58.646 58.646
88 1HB ALA 15 1HB ALA 15 17.447 60.904 60.904
89 2HB ALA 15 2HB ALA 15 17.861 59.256 59.256
90 3HB ALA 15 3HB ALA 15 16.196 59.663 59.663
91 H GLN 16 H GLN 16 19.394 61.085 61.085
92 HA GLN 16 HA GLN 16 21.562 59.173 59.173
93 1HB GLN 16 1HB GLN 16 22.116 61.858 61.858
94 2HB GLN 16 2HB GLN 16 22.988 60.994 60.994
95 1HG GLN 16 1HG GLN 16 20.456 62.612 62.612
96 2HG GLN 16 2HG GLN 16 21.945 62.764 62.764
97 1HE2 GLN 16 1HE2 GLN 16 19.139 60.787 60.787
98 2HE2 GLN 16 2HE2 GLN 16 19.001 62.153 62.153
99 1HN NH2 17 1HN NH2 17 19.662 59.880 59.880
100 2HN NH2 17 2HN NH2 17 20.612 58.837 58.837
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