Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
590441 | 2moc RC | 19933 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 H THR 1 -6.470 2.617 7.458
2 HA THR 1 HA THR 1 -6.807 2.198 4.585
3 HB THR 1 HB THR 1 -4.745 4.201 5.197
4 HG1 THR 1 HG1 THR 1 -6.391 5.883 5.327
5 HG21 THR 1 3HG2 THR 1 -5.652 3.345 2.930
6 HG22 THR 1 1HG2 THR 1 -5.350 5.071 3.120
7 HG23 THR 1 2HG2 THR 1 -6.996 4.446 3.229
8 H GLY 2 H GLY 2 -5.835 0.551 6.793
9 HA2 GLY 2 1HA GLY 2 -2.966 0.458 6.612
10 HA3 GLY 2 2HA GLY 2 -3.999 -0.708 7.424
11 H LYS 3 H LYS 3 -5.634 -1.174 5.037
12 HA LYS 3 HA LYS 3 -4.095 -3.285 3.912
13 HB2 LYS 3 1HB LYS 3 -6.741 -2.858 4.169
14 HB3 LYS 3 2HB LYS 3 -6.531 -2.360 2.495
15 HG2 LYS 3 1HG LYS 3 -6.473 -4.467 1.826
16 HG3 LYS 3 2HG LYS 3 -5.155 -4.830 2.942
17 HD2 LYS 3 1HD LYS 3 -6.710 -5.294 4.715
18 HD3 LYS 3 2HD LYS 3 -8.067 -4.748 3.726
19 HE2 LYS 3 1HE LYS 3 -7.744 -6.589 2.198
20 HE3 LYS 3 2HE LYS 3 -6.291 -7.094 3.060
21 HZ1 LYS 3 3HZ LYS 3 -7.512 -8.238 4.494
22 HZ2 LYS 3 1HZ LYS 3 -8.867 -7.940 3.526
23 HZ3 LYS 3 2HZ LYS 3 -8.511 -6.913 4.822
24 H ALA 4 H ALA 4 -4.511 0.025 3.119
25 HA ALA 4 HA ALA 4 -3.693 -0.299 0.351
26 HB1 ALA 4 3HB ALA 4 -4.336 2.131 2.008
27 HB2 ALA 4 1HB ALA 4 -3.802 2.205 0.329
28 HB3 ALA 4 2HB ALA 4 -5.316 1.398 0.738
29 H SER 5 H SER 5 -1.922 -1.045 2.645
30 HA SER 5 HA SER 5 0.230 0.893 2.527
31 HB2 SER 5 1HB SER 5 -0.051 -0.117 4.660
32 HB3 SER 5 2HB SER 5 -0.119 -1.737 3.967
33 HG SER 5 HG SER 5 1.919 -1.592 4.681
34 H GLN 6 H GLN 6 -0.455 -2.365 1.354
35 HA GLN 6 HA GLN 6 2.100 -2.882 0.272
36 HB2 GLN 6 1HB GLN 6 0.962 -4.649 -1.028
37 HB3 GLN 6 2HB GLN 6 0.531 -4.684 0.677
38 HG2 GLN 6 1HG GLN 6 -1.617 -4.467 0.202
39 HG3 GLN 6 2HG GLN 6 -1.310 -3.030 -0.772
40 HE21 GLN 6 2HE2 GLN 6 -1.274 -6.555 -0.855
41 HE22 GLN 6 1HE2 GLN 6 -1.633 -6.699 -2.538
42 H PHE 7 H PHE 7 -0.600 -1.032 -0.853
43 HA PHE 7 HA PHE 7 -0.018 -1.023 -3.614
44 HB2 PHE 7 1HB PHE 7 -1.848 0.310 -1.828
45 HB3 PHE 7 2HB PHE 7 -1.175 1.463 -2.976
46 HD1 PHE 7 HD2 PHE 7 -2.299 -2.094 -3.164
47 HD2 PHE 7 HD1 PHE 7 -2.569 1.849 -4.745
48 HE1 PHE 7 HE2 PHE 7 -3.869 -2.894 -4.882
49 HE2 PHE 7 HE1 PHE 7 -4.140 1.056 -6.464
50 HZ PHE 7 HZ PHE 7 -4.791 -1.318 -6.535
51 H PHE 8 H PHE 8 1.210 0.834 -0.916
52 HA PHE 8 HA PHE 8 2.472 2.874 -2.422
53 HB2 PHE 8 1HB PHE 8 2.578 1.903 0.382
54 HB3 PHE 8 2HB PHE 8 3.959 2.837 -0.184
55 HD1 PHE 8 HD2 PHE 8 3.370 5.082 -1.392
56 HD2 PHE 8 HD1 PHE 8 0.759 3.007 1.253
57 HE1 PHE 8 HE2 PHE 8 2.124 7.165 -0.992
58 HE2 PHE 8 HE1 PHE 8 -0.491 5.087 1.657
59 HZ PHE 8 HZ PHE 8 0.191 7.170 0.534
60 H GLY 9 H GLY 9 3.367 -0.378 -1.567
61 HA2 GLY 9 1HA GLY 9 6.163 -0.082 -2.122
62 HA3 GLY 9 2HA GLY 9 5.295 -1.597 -1.920
63 H LEU 10 H LEU 10 3.350 -0.686 -4.047
64 HA LEU 10 HA LEU 10 4.646 -1.947 -6.236
65 HB2 LEU 10 1HB LEU 10 2.106 -1.713 -5.590
66 HB3 LEU 10 2HB LEU 10 2.204 -0.282 -6.613
67 HG LEU 10 HG LEU 10 3.303 -2.143 -8.246
68 HD11 LEU 10 1HD1 LEU 10 2.503 -4.239 -7.968
69 HD12 LEU 10 2HD1 LEU 10 1.008 -3.689 -7.213
70 HD13 LEU 10 3HD1 LEU 10 2.497 -3.756 -6.272
71 HD21 LEU 10 3HD2 LEU 10 0.344 -2.008 -8.235
72 HD22 LEU 10 1HD2 LEU 10 1.489 -1.750 -9.552
73 HD23 LEU 10 2HD2 LEU 10 1.223 -0.483 -8.355
74 H MET 11 H MET 11 3.986 1.401 -5.386
75 HA MET 11 HA MET 11 4.781 2.492 -7.897
76 HB2 MET 11 1HB MET 11 3.510 3.469 -5.657
77 HB3 MET 11 2HB MET 11 5.082 4.253 -5.577
78 HG2 MET 11 1HG MET 11 4.759 5.407 -7.543
79 HG3 MET 11 2HG MET 11 3.555 4.266 -8.137
80 HE1 MET 11 3HE MET 11 2.891 7.746 -5.226
81 HE2 MET 11 1HE MET 11 3.820 6.354 -4.669
82 HE3 MET 11 2HE MET 11 4.392 7.303 -6.041
Start of MODEL 2
1 H1 THR 1 H THR 1 -7.036 2.545 7.234
2 HA THR 1 HA THR 1 -5.937 2.954 4.529
3 HB THR 1 HB THR 1 -4.799 4.356 6.919
4 HG1 THR 1 HG1 THR 1 -6.915 5.002 7.043
5 HG21 THR 1 3HG2 THR 1 -4.861 4.780 3.948
6 HG22 THR 1 1HG2 THR 1 -3.468 4.655 5.022
7 HG23 THR 1 2HG2 THR 1 -4.472 6.105 5.047
8 H GLY 2 H GLY 2 -5.917 0.499 6.136
9 HA2 GLY 2 1HA GLY 2 -3.036 0.269 6.723
10 HA3 GLY 2 2HA GLY 2 -4.284 -0.775 7.387
11 H LYS 3 H LYS 3 -5.688 -1.222 4.938
12 HA LYS 3 HA LYS 3 -4.091 -3.357 3.899
13 HB2 LYS 3 1HB LYS 3 -6.842 -2.631 3.907
14 HB3 LYS 3 2HB LYS 3 -6.354 -2.844 2.232
15 HG2 LYS 3 1HG LYS 3 -6.996 -4.969 2.754
16 HG3 LYS 3 2HG LYS 3 -5.279 -5.051 3.153
17 HD2 LYS 3 1HD LYS 3 -5.683 -4.962 5.444
18 HD3 LYS 3 2HD LYS 3 -7.296 -4.279 5.230
19 HE2 LYS 3 1HE LYS 3 -6.938 -6.908 3.997
20 HE3 LYS 3 2HE LYS 3 -6.741 -6.907 5.749
21 HZ1 LYS 3 3HZ LYS 3 -8.995 -5.365 5.032
22 HZ2 LYS 3 1HZ LYS 3 -8.922 -6.754 5.995
23 HZ3 LYS 3 2HZ LYS 3 -9.114 -6.896 4.320
24 H ALA 4 H ALA 4 -4.583 -0.070 3.057
25 HA ALA 4 HA ALA 4 -3.731 -0.410 0.301
26 HB1 ALA 4 3HB ALA 4 -4.144 2.185 1.766
27 HB2 ALA 4 1HB ALA 4 -4.148 1.906 0.024
28 HB3 ALA 4 2HB ALA 4 -5.458 1.274 1.023
29 H SER 5 H SER 5 -1.964 -1.081 2.621
30 HA SER 5 HA SER 5 0.141 0.908 2.496
31 HB2 SER 5 1HB SER 5 -0.214 -1.679 3.996
32 HB3 SER 5 2HB SER 5 1.343 -0.853 3.956
33 HG SER 5 HG SER 5 -0.907 -0.249 5.366
34 H GLN 6 H GLN 6 -0.453 -2.381 1.360
35 HA GLN 6 HA GLN 6 2.124 -2.850 0.311
36 HB2 GLN 6 1HB GLN 6 1.078 -4.681 -0.936
37 HB3 GLN 6 2HB GLN 6 0.536 -4.661 0.737
38 HG2 GLN 6 1HG GLN 6 -1.487 -4.914 -0.189
39 HG3 GLN 6 2HG GLN 6 -1.390 -3.166 -0.397
40 HE21 GLN 6 2HE2 GLN 6 -1.274 -6.252 -1.958
41 HE22 GLN 6 1HE2 GLN 6 -1.333 -5.668 -3.582
42 H PHE 7 H PHE 7 -0.605 -1.076 -0.866
43 HA PHE 7 HA PHE 7 0.007 -1.087 -3.619
44 HB2 PHE 7 1HB PHE 7 -1.787 0.383 -1.827
45 HB3 PHE 7 2HB PHE 7 -1.232 1.334 -3.201
46 HD1 PHE 7 HD1 PHE 7 -1.286 -0.077 -5.498
47 HD2 PHE 7 HD2 PHE 7 -3.755 -0.746 -2.097
48 HE1 PHE 7 HE1 PHE 7 -2.957 -1.173 -6.932
49 HE2 PHE 7 HE2 PHE 7 -5.430 -1.844 -3.526
50 HZ PHE 7 HZ PHE 7 -5.033 -2.059 -5.946
51 H PHE 8 H PHE 8 1.163 0.829 -0.931
52 HA PHE 8 HA PHE 8 2.395 2.879 -2.448
53 HB2 PHE 8 1HB PHE 8 1.858 2.670 0.139
54 HB3 PHE 8 2HB PHE 8 3.510 2.063 0.199
55 HD1 PHE 8 HD1 PHE 8 1.510 4.927 -1.086
56 HD2 PHE 8 HD2 PHE 8 5.265 3.553 0.372
57 HE1 PHE 8 HE1 PHE 8 2.351 7.239 -1.084
58 HE2 PHE 8 HE2 PHE 8 6.112 5.863 0.378
59 HZ PHE 8 HZ PHE 8 4.655 7.709 -0.351
60 H GLY 9 H GLY 9 3.353 -0.341 -1.544
61 HA2 GLY 9 1HA GLY 9 6.149 0.013 -2.072
62 HA3 GLY 9 2HA GLY 9 5.313 -1.519 -1.861
63 H LEU 10 H LEU 10 3.372 -0.678 -4.020
64 HA LEU 10 HA LEU 10 4.721 -1.933 -6.180
65 HB2 LEU 10 1HB LEU 10 2.055 -1.109 -5.537
66 HB3 LEU 10 2HB LEU 10 2.457 -0.581 -7.169
67 HG LEU 10 HG LEU 10 3.045 -2.924 -7.733
68 HD11 LEU 10 1HD1 LEU 10 3.331 -3.396 -5.146
69 HD12 LEU 10 2HD1 LEU 10 2.875 -4.667 -6.280
70 HD13 LEU 10 3HD1 LEU 10 1.641 -3.877 -5.298
71 HD21 LEU 10 3HD2 LEU 10 0.866 -3.545 -8.180
72 HD22 LEU 10 1HD2 LEU 10 0.708 -1.805 -7.937
73 HD23 LEU 10 2HD2 LEU 10 0.261 -2.919 -6.646
74 H MET 11 H MET 11 3.975 1.408 -5.377
75 HA MET 11 HA MET 11 4.709 2.522 -7.878
76 HB2 MET 11 1HB MET 11 3.839 3.476 -5.303
77 HB3 MET 11 2HB MET 11 5.187 4.448 -5.880
78 HG2 MET 11 1HG MET 11 3.992 4.877 -7.963
79 HG3 MET 11 2HG MET 11 2.645 3.896 -7.392
80 HE1 MET 11 3HE MET 11 0.551 6.149 -5.350
81 HE2 MET 11 1HE MET 11 0.658 4.871 -6.560
82 HE3 MET 11 2HE MET 11 1.332 4.619 -4.950
Start of MODEL 3
1 H1 THR 1 H THR 1 -5.963 3.270 6.251
2 HA THR 1 HA THR 1 -3.909 3.105 4.155
3 HB THR 1 HB THR 1 -3.075 4.009 6.872
4 HG1 THR 1 HG1 THR 1 -4.852 5.392 6.163
5 HG21 THR 1 3HG2 THR 1 -2.116 4.571 4.065
6 HG22 THR 1 1HG2 THR 1 -1.369 3.485 5.235
7 HG23 THR 1 2HG2 THR 1 -1.384 5.224 5.531
8 H GLY 2 H GLY 2 -5.574 1.084 5.514
9 HA2 GLY 2 1HA GLY 2 -3.610 -0.339 7.160
10 HA3 GLY 2 2HA GLY 2 -5.309 -0.753 6.991
11 H LYS 3 H LYS 3 -5.935 -1.421 4.690
12 HA LYS 3 HA LYS 3 -4.145 -3.558 3.919
13 HB2 LYS 3 1HB LYS 3 -6.877 -2.746 2.915
14 HB3 LYS 3 2HB LYS 3 -5.989 -4.146 2.328
15 HG2 LYS 3 1HG LYS 3 -5.926 -4.860 4.807
16 HG3 LYS 3 2HG LYS 3 -7.232 -3.689 5.009
17 HD2 LYS 3 1HD LYS 3 -8.532 -4.848 3.287
18 HD3 LYS 3 2HD LYS 3 -7.226 -6.018 3.087
19 HE2 LYS 3 1HE LYS 3 -7.540 -6.861 5.290
20 HE3 LYS 3 2HE LYS 3 -8.629 -5.539 5.708
21 HZ1 LYS 3 3HZ LYS 3 -10.348 -6.463 4.550
22 HZ2 LYS 3 1HZ LYS 3 -9.553 -7.873 5.046
23 HZ3 LYS 3 2HZ LYS 3 -9.345 -7.294 3.470
24 H ALA 4 H ALA 4 -4.874 -0.371 2.882
25 HA ALA 4 HA ALA 4 -3.872 -0.772 0.187
26 HB1 ALA 4 3HB ALA 4 -5.718 0.924 1.143
27 HB2 ALA 4 1HB ALA 4 -4.297 1.969 1.194
28 HB3 ALA 4 2HB ALA 4 -4.792 1.225 -0.328
29 H SER 5 H SER 5 -2.161 -1.170 2.609
30 HA SER 5 HA SER 5 -0.229 0.986 2.465
31 HB2 SER 5 1HB SER 5 -0.567 0.047 4.643
32 HB3 SER 5 2HB SER 5 -0.313 -1.591 4.042
33 HG SER 5 HG SER 5 1.830 -1.186 3.818
34 H GLN 6 H GLN 6 -0.489 -2.395 1.484
35 HA GLN 6 HA GLN 6 2.167 -2.679 0.560
36 HB2 GLN 6 1HB GLN 6 1.425 -4.704 -0.485
37 HB3 GLN 6 2HB GLN 6 0.596 -4.561 1.058
38 HG2 GLN 6 1HG GLN 6 -1.234 -3.402 -0.474
39 HG3 GLN 6 2HG GLN 6 -0.475 -4.419 -1.696
40 HE21 GLN 6 2HE2 GLN 6 -0.054 -6.732 -0.821
41 HE22 GLN 6 1HE2 GLN 6 -1.404 -7.472 -0.040
42 H PHE 7 H PHE 7 -0.669 -1.244 -0.813
43 HA PHE 7 HA PHE 7 0.051 -1.352 -3.539
44 HB2 PHE 7 1HB PHE 7 -1.959 0.003 -1.905
45 HB3 PHE 7 2HB PHE 7 -1.423 0.973 -3.272
46 HD1 PHE 7 HD2 PHE 7 -1.197 -0.513 -5.525
47 HD2 PHE 7 HD1 PHE 7 -3.808 -1.289 -2.255
48 HE1 PHE 7 HE2 PHE 7 -2.675 -1.797 -7.014
49 HE2 PHE 7 HE1 PHE 7 -5.290 -2.576 -3.739
50 HZ PHE 7 HZ PHE 7 -4.725 -2.830 -6.122
51 H PHE 8 H PHE 8 0.914 0.816 -0.934
52 HA PHE 8 HA PHE 8 2.009 2.885 -2.528
53 HB2 PHE 8 1HB PHE 8 1.645 2.370 0.237
54 HB3 PHE 8 2HB PHE 8 3.354 2.720 -0.004
55 HD1 PHE 8 HD2 PHE 8 3.806 4.811 -1.577
56 HD2 PHE 8 HD1 PHE 8 0.234 4.129 0.636
57 HE1 PHE 8 HE2 PHE 8 3.301 7.219 -1.654
58 HE2 PHE 8 HE1 PHE 8 -0.276 6.535 0.561
59 HZ PHE 8 HZ PHE 8 1.258 8.083 -0.583
60 H GLY 9 H GLY 9 3.228 -0.172 -1.400
61 HA2 GLY 9 1HA GLY 9 5.996 0.416 -1.853
62 HA3 GLY 9 2HA GLY 9 5.300 -1.174 -1.578
63 H LEU 10 H LEU 10 3.374 -0.647 -3.849
64 HA LEU 10 HA LEU 10 4.919 -1.889 -5.882
65 HB2 LEU 10 1HB LEU 10 2.145 -1.150 -5.440
66 HB3 LEU 10 2HB LEU 10 2.639 -0.924 -7.116
67 HG LEU 10 HG LEU 10 3.581 -3.414 -6.669
68 HD11 LEU 10 1HD1 LEU 10 1.388 -4.435 -5.554
69 HD12 LEU 10 2HD1 LEU 10 1.452 -2.905 -4.678
70 HD13 LEU 10 3HD1 LEU 10 2.823 -4.012 -4.619
71 HD21 LEU 10 3HD2 LEU 10 2.342 -3.216 -8.566
72 HD22 LEU 10 1HD2 LEU 10 1.057 -2.311 -7.768
73 HD23 LEU 10 2HD2 LEU 10 1.164 -4.059 -7.559
74 H MET 11 H MET 11 3.833 1.407 -5.309
75 HA MET 11 HA MET 11 4.709 2.380 -7.862
76 HB2 MET 11 1HB MET 11 3.446 3.501 -5.449
77 HB3 MET 11 2HB MET 11 4.506 4.610 -6.306
78 HG2 MET 11 1HG MET 11 3.160 4.712 -8.135
79 HG3 MET 11 2HG MET 11 2.535 3.080 -7.903
80 HE1 MET 11 3HE MET 11 -0.340 3.155 -7.406
81 HE2 MET 11 1HE MET 11 0.913 2.342 -6.468
82 HE3 MET 11 2HE MET 11 -0.334 3.278 -5.646
Start of MODEL 4
1 H1 THR 1 H THR 1 -7.613 1.530 6.098
2 HA THR 1 HA THR 1 -5.743 3.458 4.915
3 HB THR 1 HB THR 1 -5.433 3.369 7.734
4 HG1 THR 1 HG1 THR 1 -7.390 2.764 8.302
5 HG21 THR 1 3HG2 THR 1 -7.022 5.481 6.336
6 HG22 THR 1 1HG2 THR 1 -5.319 5.268 5.936
7 HG23 THR 1 2HG2 THR 1 -5.794 5.648 7.591
8 H GLY 2 H GLY 2 -5.910 0.410 6.622
9 HA2 GLY 2 1HA GLY 2 -2.984 0.290 6.801
10 HA3 GLY 2 2HA GLY 2 -4.110 -0.804 7.591
11 H LYS 3 H LYS 3 -5.594 -0.912 4.912
12 HA LYS 3 HA LYS 3 -4.131 -3.201 3.912
13 HB2 LYS 3 1HB LYS 3 -6.740 -2.007 2.959
14 HB3 LYS 3 2HB LYS 3 -6.087 -3.572 2.493
15 HG2 LYS 3 1HG LYS 3 -6.660 -2.917 5.359
16 HG3 LYS 3 2HG LYS 3 -7.923 -3.502 4.273
17 HD2 LYS 3 1HD LYS 3 -5.499 -5.092 4.102
18 HD3 LYS 3 2HD LYS 3 -6.159 -5.056 5.738
19 HE2 LYS 3 1HE LYS 3 -7.027 -6.921 4.337
20 HE3 LYS 3 2HE LYS 3 -8.282 -5.853 4.965
21 HZ1 LYS 3 3HZ LYS 3 -7.160 -5.347 2.296
22 HZ2 LYS 3 1HZ LYS 3 -8.695 -4.977 2.901
23 HZ3 LYS 3 2HZ LYS 3 -8.311 -6.571 2.489
24 H ALA 4 H ALA 4 -4.499 0.117 3.133
25 HA ALA 4 HA ALA 4 -3.683 -0.208 0.364
26 HB1 ALA 4 3HB ALA 4 -5.333 1.543 1.205
27 HB2 ALA 4 1HB ALA 4 -3.925 2.400 1.833
28 HB3 ALA 4 2HB ALA 4 -4.070 2.092 0.102
29 H SER 5 H SER 5 -1.924 -0.988 2.657
30 HA SER 5 HA SER 5 0.255 0.919 2.548
31 HB2 SER 5 1HB SER 5 -0.499 -0.588 4.567
32 HB3 SER 5 2HB SER 5 0.514 -1.800 3.782
33 HG SER 5 HG SER 5 2.071 -0.824 4.802
34 H GLN 6 H GLN 6 -0.476 -2.324 1.361
35 HA GLN 6 HA GLN 6 2.075 -2.867 0.276
36 HB2 GLN 6 1HB GLN 6 0.864 -4.590 -1.073
37 HB3 GLN 6 2HB GLN 6 0.559 -4.683 0.656
38 HG2 GLN 6 1HG GLN 6 -1.620 -4.185 0.436
39 HG3 GLN 6 2HG GLN 6 -1.337 -3.038 -0.872
40 HE21 GLN 6 2HE2 GLN 6 -0.389 -4.265 -2.895
41 HE22 GLN 6 1HE2 GLN 6 -1.325 -5.631 -3.388
42 H PHE 7 H PHE 7 -0.611 -0.991 -0.840
43 HA PHE 7 HA PHE 7 -0.036 -0.986 -3.602
44 HB2 PHE 7 1HB PHE 7 -1.816 0.419 -1.791
45 HB3 PHE 7 2HB PHE 7 -1.175 1.498 -3.026
46 HD1 PHE 7 HD2 PHE 7 -2.159 -2.096 -3.127
47 HD2 PHE 7 HD1 PHE 7 -2.807 1.842 -4.608
48 HE1 PHE 7 HE2 PHE 7 -3.797 -2.975 -4.739
49 HE2 PHE 7 HE1 PHE 7 -4.447 0.969 -6.221
50 HZ PHE 7 HZ PHE 7 -4.943 -1.441 -6.289
51 H PHE 8 H PHE 8 1.216 0.857 -0.906
52 HA PHE 8 HA PHE 8 2.494 2.887 -2.414
53 HB2 PHE 8 1HB PHE 8 1.978 2.703 0.162
54 HB3 PHE 8 2HB PHE 8 3.581 1.979 0.221
55 HD1 PHE 8 HD2 PHE 8 5.543 3.299 -0.605
56 HD2 PHE 8 HD1 PHE 8 1.694 5.024 -0.033
57 HE1 PHE 8 HE2 PHE 8 6.556 5.541 -0.581
58 HE2 PHE 8 HE1 PHE 8 2.700 7.269 -0.010
59 HZ PHE 8 HZ PHE 8 5.134 7.530 -0.283
60 H GLY 9 H GLY 9 3.360 -0.374 -1.564
61 HA2 GLY 9 1HA GLY 9 6.157 -0.103 -2.125
62 HA3 GLY 9 2HA GLY 9 5.276 -1.610 -1.923
63 H LEU 10 H LEU 10 3.334 -0.680 -4.044
64 HA LEU 10 HA LEU 10 4.614 -1.950 -6.238
65 HB2 LEU 10 1HB LEU 10 1.980 -0.923 -5.590
66 HB3 LEU 10 2HB LEU 10 2.418 -0.607 -7.267
67 HG LEU 10 HG LEU 10 1.122 -2.689 -6.965
68 HD11 LEU 10 1HD1 LEU 10 3.320 -4.082 -7.921
69 HD12 LEU 10 2HD1 LEU 10 3.663 -2.397 -8.312
70 HD13 LEU 10 3HD1 LEU 10 2.167 -3.144 -8.872
71 HD21 LEU 10 3HD2 LEU 10 2.223 -3.176 -4.710
72 HD22 LEU 10 1HD2 LEU 10 3.556 -3.851 -5.647
73 HD23 LEU 10 2HD2 LEU 10 1.941 -4.542 -5.790
74 H MET 11 H MET 11 3.986 1.402 -5.382
75 HA MET 11 HA MET 11 4.701 2.537 -7.873
76 HB2 MET 11 1HB MET 11 3.606 3.507 -5.582
77 HB3 MET 11 2HB MET 11 5.243 4.135 -5.451
78 HG2 MET 11 1HG MET 11 5.040 5.258 -7.562
79 HG3 MET 11 2HG MET 11 3.464 4.520 -7.846
80 HE1 MET 11 3HE MET 11 3.476 6.967 -8.533
81 HE2 MET 11 1HE MET 11 1.998 7.550 -7.765
82 HE3 MET 11 2HE MET 11 3.536 8.347 -7.435
Start of MODEL 5
1 H1 THR 1 H THR 1 -7.403 2.756 5.328
2 HA THR 1 HA THR 1 -5.408 2.977 4.253
3 HB THR 1 HB THR 1 -5.417 5.163 5.432
4 HG1 THR 1 HG1 THR 1 -3.698 4.878 4.072
5 HG21 THR 1 3HG2 THR 1 -3.757 3.688 7.478
6 HG22 THR 1 1HG2 THR 1 -5.360 4.375 7.733
7 HG23 THR 1 2HG2 THR 1 -3.986 5.435 7.421
8 H GLY 2 H GLY 2 -5.875 0.671 6.088
9 HA2 GLY 2 1HA GLY 2 -3.132 0.040 6.919
10 HA3 GLY 2 2HA GLY 2 -4.579 -0.836 7.396
11 H LYS 3 H LYS 3 -5.722 -1.189 4.844
12 HA LYS 3 HA LYS 3 -4.105 -3.394 3.915
13 HB2 LYS 3 1HB LYS 3 -6.855 -2.773 3.944
14 HB3 LYS 3 2HB LYS 3 -6.396 -2.870 2.250
15 HG2 LYS 3 1HG LYS 3 -5.352 -5.097 2.773
16 HG3 LYS 3 2HG LYS 3 -6.120 -4.993 4.358
17 HD2 LYS 3 1HD LYS 3 -7.571 -4.874 1.715
18 HD3 LYS 3 2HD LYS 3 -7.442 -6.307 2.736
19 HE2 LYS 3 1HE LYS 3 -8.351 -4.326 4.451
20 HE3 LYS 3 2HE LYS 3 -9.222 -4.025 2.947
21 HZ1 LYS 3 3HZ LYS 3 -10.312 -6.002 3.073
22 HZ2 LYS 3 1HZ LYS 3 -10.111 -5.713 4.728
23 HZ3 LYS 3 2HZ LYS 3 -9.074 -6.780 3.923
24 H ALA 4 H ALA 4 -4.645 -0.125 3.033
25 HA ALA 4 HA ALA 4 -3.763 -0.480 0.288
26 HB1 ALA 4 3HB ALA 4 -4.587 1.930 1.886
27 HB2 ALA 4 1HB ALA 4 -3.944 2.043 0.247
28 HB3 ALA 4 2HB ALA 4 -5.442 1.159 0.549
29 H SER 5 H SER 5 -2.004 -1.097 2.630
30 HA SER 5 HA SER 5 0.067 0.926 2.502
31 HB2 SER 5 1HB SER 5 -0.081 0.028 4.650
32 HB3 SER 5 2HB SER 5 -0.318 -1.615 4.054
33 HG SER 5 HG SER 5 1.763 -1.882 4.045
34 H GLN 6 H GLN 6 -0.461 -2.384 1.396
35 HA GLN 6 HA GLN 6 2.133 -2.817 0.370
36 HB2 GLN 6 1HB GLN 6 1.129 -4.682 -0.861
37 HB3 GLN 6 2HB GLN 6 0.586 -4.656 0.812
38 HG2 GLN 6 1HG GLN 6 -1.551 -3.927 0.233
39 HG3 GLN 6 2HG GLN 6 -1.036 -3.401 -1.369
40 HE21 GLN 6 2HE2 GLN 6 -3.076 -5.383 -0.237
41 HE22 GLN 6 1HE2 GLN 6 -2.827 -6.802 -1.190
42 H PHE 7 H PHE 7 -0.626 -1.116 -0.844
43 HA PHE 7 HA PHE 7 0.002 -1.150 -3.595
44 HB2 PHE 7 1HB PHE 7 -2.099 -0.232 -2.137
45 HB3 PHE 7 2HB PHE 7 -1.300 1.283 -2.544
46 HD1 PHE 7 HD2 PHE 7 -0.785 1.721 -5.006
47 HD2 PHE 7 HD1 PHE 7 -3.478 -1.293 -3.673
48 HE1 PHE 7 HE2 PHE 7 -1.827 1.672 -7.235
49 HE2 PHE 7 HE1 PHE 7 -4.525 -1.347 -5.899
50 HZ PHE 7 HZ PHE 7 -3.700 0.136 -7.683
51 H PHE 8 H PHE 8 1.103 0.825 -0.927
52 HA PHE 8 HA PHE 8 2.301 2.881 -2.466
53 HB2 PHE 8 1HB PHE 8 1.982 2.266 0.285
54 HB3 PHE 8 2HB PHE 8 3.704 2.501 0.002
55 HD1 PHE 8 HD1 PHE 8 0.663 4.138 -1.408
56 HD2 PHE 8 HD2 PHE 8 4.320 4.591 0.724
57 HE1 PHE 8 HE1 PHE 8 0.333 6.576 -1.365
58 HE2 PHE 8 HE2 PHE 8 3.994 7.029 0.772
59 HZ PHE 8 HZ PHE 8 1.998 8.024 -0.273
60 H GLY 9 H GLY 9 3.320 -0.307 -1.513
61 HA2 GLY 9 1HA GLY 9 6.110 0.097 -2.031
62 HA3 GLY 9 2HA GLY 9 5.305 -1.449 -1.804
63 H LEU 10 H LEU 10 3.358 -0.678 -3.984
64 HA LEU 10 HA LEU 10 4.746 -1.934 -6.120
65 HB2 LEU 10 1HB LEU 10 2.081 -1.326 -5.467
66 HB3 LEU 10 2HB LEU 10 2.400 -0.539 -7.011
67 HG LEU 10 HG LEU 10 3.050 -2.683 -7.980
68 HD11 LEU 10 1HD1 LEU 10 2.364 -4.722 -6.501
69 HD12 LEU 10 2HD1 LEU 10 2.689 -3.612 -5.170
70 HD13 LEU 10 3HD1 LEU 10 3.962 -3.994 -6.329
71 HD21 LEU 10 3HD2 LEU 10 0.582 -3.679 -6.982
72 HD22 LEU 10 1HD2 LEU 10 0.914 -2.901 -8.530
73 HD23 LEU 10 2HD2 LEU 10 0.454 -1.927 -7.134
74 H MET 11 H MET 11 3.926 1.402 -5.366
75 HA MET 11 HA MET 11 4.836 2.408 -7.904
76 HB2 MET 11 1HB MET 11 4.452 4.621 -6.925
77 HB3 MET 11 2HB MET 11 3.066 3.567 -6.677
78 HG2 MET 11 1HG MET 11 3.537 3.293 -4.401
79 HG3 MET 11 2HG MET 11 5.176 3.916 -4.579
80 HE1 MET 11 3HE MET 11 5.794 5.973 -3.696
81 HE2 MET 11 1HE MET 11 5.566 6.683 -5.295
82 HE3 MET 11 2HE MET 11 4.946 7.510 -3.866
Start of MODEL 6
1 H1 THR 1 H THR 1 -6.998 2.081 5.256
2 HA THR 1 HA THR 1 -4.640 3.783 4.782
3 HB THR 1 HB THR 1 -6.292 4.684 6.414
4 HG1 THR 1 HG1 THR 1 -4.631 5.503 7.448
5 HG21 THR 1 3HG2 THR 1 -7.003 3.560 8.246
6 HG22 THR 1 1HG2 THR 1 -5.453 2.757 8.487
7 HG23 THR 1 2HG2 THR 1 -6.586 2.144 7.282
8 H GLY 2 H GLY 2 -5.786 0.743 6.068
9 HA2 GLY 2 1HA GLY 2 -3.063 0.034 6.916
10 HA3 GLY 2 2HA GLY 2 -4.529 -0.828 7.356
11 H LYS 3 H LYS 3 -5.738 -1.326 4.998
12 HA LYS 3 HA LYS 3 -4.129 -3.433 3.934
13 HB2 LYS 3 1HB LYS 3 -6.847 -2.882 4.066
14 HB3 LYS 3 2HB LYS 3 -6.478 -2.748 2.351
15 HG2 LYS 3 1HG LYS 3 -5.640 -4.978 2.280
16 HG3 LYS 3 2HG LYS 3 -5.725 -5.123 4.037
17 HD2 LYS 3 1HD LYS 3 -7.833 -5.819 3.910
18 HD3 LYS 3 2HD LYS 3 -8.290 -4.364 3.023
19 HE2 LYS 3 1HE LYS 3 -7.223 -5.599 0.994
20 HE3 LYS 3 2HE LYS 3 -7.455 -7.040 1.982
21 HZ1 LYS 3 3HZ LYS 3 -9.317 -5.886 0.359
22 HZ2 LYS 3 1HZ LYS 3 -9.787 -5.389 1.906
23 HZ3 LYS 3 2HZ LYS 3 -9.623 -7.037 1.560
24 H ALA 4 H ALA 4 -4.635 -0.141 3.117
25 HA ALA 4 HA ALA 4 -3.776 -0.456 0.360
26 HB1 ALA 4 3HB ALA 4 -4.576 1.621 0.003
27 HB2 ALA 4 1HB ALA 4 -5.427 1.331 1.520
28 HB3 ALA 4 2HB ALA 4 -3.921 2.250 1.515
29 H SER 5 H SER 5 -2.009 -1.135 2.679
30 HA SER 5 HA SER 5 0.086 0.865 2.573
31 HB2 SER 5 1HB SER 5 -0.624 -0.660 4.596
32 HB3 SER 5 2HB SER 5 0.457 -1.827 3.836
33 HG SER 5 HG SER 5 2.041 -0.749 4.669
34 H GLN 6 H GLN 6 -0.490 -2.418 1.410
35 HA GLN 6 HA GLN 6 2.094 -2.859 0.358
36 HB2 GLN 6 1HB GLN 6 0.944 -4.629 -1.015
37 HB3 GLN 6 2HB GLN 6 0.691 -4.750 0.721
38 HG2 GLN 6 1HG GLN 6 -1.367 -3.137 -0.440
39 HG3 GLN 6 2HG GLN 6 -1.242 -4.666 -1.308
40 HE21 GLN 6 2HE2 GLN 6 -3.148 -5.500 -0.552
41 HE22 GLN 6 1HE2 GLN 6 -3.391 -5.964 1.094
42 H PHE 7 H PHE 7 -0.658 -1.111 -0.805
43 HA PHE 7 HA PHE 7 -0.052 -1.105 -3.561
44 HB2 PHE 7 1HB PHE 7 -1.800 0.449 -1.748
45 HB3 PHE 7 2HB PHE 7 -1.339 1.253 -3.245
46 HD1 PHE 7 HD1 PHE 7 -1.587 -0.261 -5.403
47 HD2 PHE 7 HD2 PHE 7 -3.695 -0.840 -1.750
48 HE1 PHE 7 HE1 PHE 7 -3.331 -1.508 -6.611
49 HE2 PHE 7 HE2 PHE 7 -5.441 -2.089 -2.952
50 HZ PHE 7 HZ PHE 7 -5.260 -2.426 -5.385
51 H PHE 8 H PHE 8 1.090 0.814 -0.869
52 HA PHE 8 HA PHE 8 2.296 2.882 -2.383
53 HB2 PHE 8 1HB PHE 8 1.786 3.110 0.016
54 HB3 PHE 8 2HB PHE 8 2.992 1.883 0.387
55 HD1 PHE 8 HD2 PHE 8 2.758 5.092 -1.507
56 HD2 PHE 8 HD1 PHE 8 5.032 2.623 1.110
57 HE1 PHE 8 HE2 PHE 8 4.484 6.839 -1.366
58 HE2 PHE 8 HE1 PHE 8 6.763 4.367 1.255
59 HZ PHE 8 HZ PHE 8 6.491 6.477 0.016
60 H GLY 9 H GLY 9 3.290 -0.331 -1.491
61 HA2 GLY 9 1HA GLY 9 6.081 0.054 -2.025
62 HA3 GLY 9 2HA GLY 9 5.262 -1.487 -1.818
63 H LEU 10 H LEU 10 3.306 -0.659 -3.969
64 HA LEU 10 HA LEU 10 4.665 -1.893 -6.136
65 HB2 LEU 10 1HB LEU 10 2.027 -1.370 -5.447
66 HB3 LEU 10 2HB LEU 10 2.293 -0.413 -6.902
67 HG LEU 10 HG LEU 10 3.175 -3.234 -7.006
68 HD11 LEU 10 1HD1 LEU 10 0.496 -3.348 -7.743
69 HD12 LEU 10 2HD1 LEU 10 0.503 -2.512 -6.191
70 HD13 LEU 10 3HD1 LEU 10 1.245 -4.105 -6.337
71 HD21 LEU 10 3HD2 LEU 10 2.455 -3.063 -9.266
72 HD22 LEU 10 1HD2 LEU 10 3.312 -1.571 -8.880
73 HD23 LEU 10 2HD2 LEU 10 1.549 -1.587 -8.933
74 H MET 11 H MET 11 3.883 1.437 -5.320
75 HA MET 11 HA MET 11 4.835 2.456 -7.849
76 HB2 MET 11 1HB MET 11 2.981 3.497 -6.464
77 HB3 MET 11 2HB MET 11 4.233 4.044 -5.356
78 HG2 MET 11 1HG MET 11 4.849 5.719 -6.690
79 HG3 MET 11 2HG MET 11 4.769 4.719 -8.140
80 HE1 MET 11 3HE MET 11 3.001 6.412 -5.427
81 HE2 MET 11 1HE MET 11 2.362 7.759 -6.371
82 HE3 MET 11 2HE MET 11 1.299 6.435 -5.894
Start of MODEL 7
1 H1 THR 1 H THR 1 -6.081 2.922 6.003
2 HA THR 1 HA THR 1 -3.849 3.163 4.215
3 HB THR 1 HB THR 1 -3.240 4.093 6.997
4 HG1 THR 1 HG1 THR 1 -3.834 6.117 6.541
5 HG21 THR 1 3HG2 THR 1 -1.600 5.432 5.324
6 HG22 THR 1 1HG2 THR 1 -1.903 3.983 4.367
7 HG23 THR 1 2HG2 THR 1 -1.228 3.843 5.989
8 H GLY 2 H GLY 2 -5.534 1.090 5.436
9 HA2 GLY 2 1HA GLY 2 -3.603 -0.324 7.141
10 HA3 GLY 2 2HA GLY 2 -5.303 -0.733 6.959
11 H LYS 3 H LYS 3 -5.940 -1.471 4.720
12 HA LYS 3 HA LYS 3 -4.131 -3.575 3.930
13 HB2 LYS 3 1HB LYS 3 -6.956 -2.847 3.375
14 HB3 LYS 3 2HB LYS 3 -6.126 -3.795 2.148
15 HG2 LYS 3 1HG LYS 3 -6.890 -5.522 3.366
16 HG3 LYS 3 2HG LYS 3 -5.454 -5.195 4.339
17 HD2 LYS 3 1HD LYS 3 -6.994 -3.578 5.643
18 HD3 LYS 3 2HD LYS 3 -8.312 -4.473 4.883
19 HE2 LYS 3 1HE LYS 3 -8.082 -5.708 6.783
20 HE3 LYS 3 2HE LYS 3 -6.913 -6.545 5.761
21 HZ1 LYS 3 3HZ LYS 3 -5.680 -6.187 7.632
22 HZ2 LYS 3 1HZ LYS 3 -6.445 -4.727 8.014
23 HZ3 LYS 3 2HZ LYS 3 -5.299 -4.781 6.772
24 H ALA 4 H ALA 4 -4.879 -0.396 2.885
25 HA ALA 4 HA ALA 4 -3.882 -0.803 0.187
26 HB1 ALA 4 3HB ALA 4 -5.635 1.016 1.351
27 HB2 ALA 4 1HB ALA 4 -4.204 1.964 0.949
28 HB3 ALA 4 2HB ALA 4 -5.029 1.038 -0.305
29 H SER 5 H SER 5 -2.163 -1.184 2.607
30 HA SER 5 HA SER 5 -0.243 0.982 2.450
31 HB2 SER 5 1HB SER 5 -0.340 -1.580 4.047
32 HB3 SER 5 2HB SER 5 1.043 -0.486 4.084
33 HG SER 5 HG SER 5 -1.490 -0.193 5.171
34 H GLN 6 H GLN 6 -0.489 -2.404 1.481
35 HA GLN 6 HA GLN 6 2.164 -2.684 0.555
36 HB2 GLN 6 1HB GLN 6 1.257 -4.637 -0.716
37 HB3 GLN 6 2HB GLN 6 0.865 -4.651 0.997
38 HG2 GLN 6 1HG GLN 6 -1.299 -4.738 0.560
39 HG3 GLN 6 2HG GLN 6 -1.199 -3.303 -0.459
40 HE21 GLN 6 2HE2 GLN 6 0.207 -6.534 -0.809
41 HE22 GLN 6 1HE2 GLN 6 -0.519 -6.874 -2.339
42 H PHE 7 H PHE 7 -0.670 -1.249 -0.820
43 HA PHE 7 HA PHE 7 0.053 -1.355 -3.545
44 HB2 PHE 7 1HB PHE 7 -1.820 0.324 -1.922
45 HB3 PHE 7 2HB PHE 7 -1.469 0.793 -3.582
46 HD1 PHE 7 HD1 PHE 7 -2.805 -1.930 -1.473
47 HD2 PHE 7 HD2 PHE 7 -2.465 -0.318 -5.398
48 HE1 PHE 7 HE1 PHE 7 -4.483 -3.541 -2.277
49 HE2 PHE 7 HE2 PHE 7 -4.143 -1.925 -6.207
50 HZ PHE 7 HZ PHE 7 -5.155 -3.539 -4.646
51 H PHE 8 H PHE 8 0.913 0.811 -0.938
52 HA PHE 8 HA PHE 8 2.009 2.882 -2.529
53 HB2 PHE 8 1HB PHE 8 1.364 3.130 -0.133
54 HB3 PHE 8 2HB PHE 8 2.747 2.133 0.307
55 HD1 PHE 8 HD1 PHE 8 1.883 5.249 -1.536
56 HD2 PHE 8 HD2 PHE 8 4.773 3.136 0.766
57 HE1 PHE 8 HE1 PHE 8 3.307 7.254 -1.489
58 HE2 PHE 8 HE2 PHE 8 6.201 5.139 0.818
59 HZ PHE 8 HZ PHE 8 5.469 7.202 -0.310
60 H GLY 9 H GLY 9 3.227 -0.176 -1.402
61 HA2 GLY 9 1HA GLY 9 5.996 0.413 -1.852
62 HA3 GLY 9 2HA GLY 9 5.300 -1.178 -1.580
63 H LEU 10 H LEU 10 3.377 -0.649 -3.851
64 HA LEU 10 HA LEU 10 4.923 -1.889 -5.885
65 HB2 LEU 10 1HB LEU 10 2.200 -1.451 -5.343
66 HB3 LEU 10 2HB LEU 10 2.515 -0.713 -6.912
67 HG LEU 10 HG LEU 10 3.640 -3.032 -7.423
68 HD11 LEU 10 1HD1 LEU 10 3.278 -3.763 -5.026
69 HD12 LEU 10 2HD1 LEU 10 2.738 -4.882 -6.278
70 HD13 LEU 10 3HD1 LEU 10 1.563 -3.883 -5.424
71 HD21 LEU 10 3HD2 LEU 10 1.136 -1.858 -7.913
72 HD22 LEU 10 1HD2 LEU 10 0.822 -3.545 -7.510
73 HD23 LEU 10 2HD2 LEU 10 1.925 -3.146 -8.826
74 H MET 11 H MET 11 3.836 1.406 -5.309
75 HA MET 11 HA MET 11 4.764 2.366 -7.860
76 HB2 MET 11 1HB MET 11 3.070 3.330 -5.825
77 HB3 MET 11 2HB MET 11 4.414 4.461 -5.917
78 HG2 MET 11 1HG MET 11 3.379 5.424 -7.614
79 HG3 MET 11 2HG MET 11 3.722 3.979 -8.562
80 HE1 MET 11 3HE MET 11 1.684 4.117 -10.174
81 HE2 MET 11 1HE MET 11 0.063 4.573 -9.649
82 HE3 MET 11 2HE MET 11 1.396 5.714 -9.480
Start of MODEL 8
1 H1 THR 1 H THR 1 -8.126 -0.510 6.928
2 HA THR 1 HA THR 1 -8.142 1.797 6.541
3 HB THR 1 HB THR 1 -8.421 2.369 8.885
4 HG1 THR 1 HG1 THR 1 -7.880 4.229 7.987
5 HG21 THR 1 3HG2 THR 1 -6.852 0.987 9.998
6 HG22 THR 1 1HG2 THR 1 -6.328 2.644 10.291
7 HG23 THR 1 2HG2 THR 1 -5.501 1.659 9.085
8 H GLY 2 H GLY 2 -5.422 -0.117 7.530
9 HA2 GLY 2 1HA GLY 2 -3.617 1.546 5.902
10 HA3 GLY 2 2HA GLY 2 -3.105 0.388 7.121
11 H LYS 3 H LYS 3 -5.590 -0.347 4.780
12 HA LYS 3 HA LYS 3 -4.135 -2.640 3.866
13 HB2 LYS 3 1HB LYS 3 -6.828 -1.780 3.862
14 HB3 LYS 3 2HB LYS 3 -6.376 -2.016 2.179
15 HG2 LYS 3 1HG LYS 3 -6.053 -4.061 4.365
16 HG3 LYS 3 2HG LYS 3 -7.362 -4.024 3.182
17 HD2 LYS 3 1HD LYS 3 -5.621 -4.169 1.385
18 HD3 LYS 3 2HD LYS 3 -4.422 -4.431 2.653
19 HE2 LYS 3 1HE LYS 3 -6.844 -6.153 2.640
20 HE3 LYS 3 2HE LYS 3 -5.619 -6.444 1.407
21 HZ1 LYS 3 3HZ LYS 3 -5.279 -7.784 3.414
22 HZ2 LYS 3 1HZ LYS 3 -5.096 -6.372 4.330
23 HZ3 LYS 3 2HZ LYS 3 -3.975 -6.746 3.120
24 H ALA 4 H ALA 4 -4.413 0.627 2.862
25 HA ALA 4 HA ALA 4 -3.578 0.099 0.131
26 HB1 ALA 4 3HB ALA 4 -5.147 1.880 0.423
27 HB2 ALA 4 1HB ALA 4 -4.112 2.664 1.617
28 HB3 ALA 4 2HB ALA 4 -3.608 2.585 -0.072
29 H SER 5 H SER 5 -1.862 -0.570 2.489
30 HA SER 5 HA SER 5 0.366 1.272 2.280
31 HB2 SER 5 1HB SER 5 -0.285 -1.106 3.968
32 HB3 SER 5 2HB SER 5 1.409 -0.653 3.777
33 HG SER 5 HG SER 5 0.183 0.330 5.582
34 H GLN 6 H GLN 6 -0.435 -2.023 1.302
35 HA GLN 6 HA GLN 6 2.111 -2.700 0.285
36 HB2 GLN 6 1HB GLN 6 0.950 -4.525 -0.873
37 HB3 GLN 6 2HB GLN 6 0.434 -4.395 0.802
38 HG2 GLN 6 1HG GLN 6 -1.600 -3.270 0.116
39 HG3 GLN 6 2HG GLN 6 -1.076 -3.317 -1.566
40 HE21 GLN 6 2HE2 GLN 6 -3.415 -4.483 -0.112
41 HE22 GLN 6 1HE2 GLN 6 -3.404 -6.158 -0.534
42 H PHE 7 H PHE 7 -0.513 -0.834 -0.984
43 HA PHE 7 HA PHE 7 0.092 -1.025 -3.734
44 HB2 PHE 7 1HB PHE 7 -1.967 0.026 -2.414
45 HB3 PHE 7 2HB PHE 7 -1.038 1.505 -2.636
46 HD1 PHE 7 HD2 PHE 7 -0.419 2.209 -4.967
47 HD2 PHE 7 HD1 PHE 7 -3.216 -0.897 -4.167
48 HE1 PHE 7 HE2 PHE 7 -1.307 2.425 -7.252
49 HE2 PHE 7 HE1 PHE 7 -4.107 -0.687 -6.451
50 HZ PHE 7 HZ PHE 7 -3.154 0.976 -7.996
51 H PHE 8 H PHE 8 1.362 0.959 -1.149
52 HA PHE 8 HA PHE 8 2.708 2.852 -2.771
53 HB2 PHE 8 1HB PHE 8 2.191 2.698 -0.127
54 HB3 PHE 8 2HB PHE 8 3.873 2.180 -0.131
55 HD1 PHE 8 HD2 PHE 8 1.895 4.788 -1.932
56 HD2 PHE 8 HD1 PHE 8 5.322 3.860 0.416
57 HE1 PHE 8 HE2 PHE 8 2.613 7.138 -2.057
58 HE2 PHE 8 HE1 PHE 8 6.045 6.209 0.295
59 HZ PHE 8 HZ PHE 8 4.690 7.851 -0.944
60 H GLY 9 H GLY 9 3.480 -0.366 -1.698
61 HA2 GLY 9 1HA GLY 9 6.290 -0.205 -2.243
62 HA3 GLY 9 2HA GLY 9 5.367 -1.672 -1.952
63 H LEU 10 H LEU 10 3.473 -0.834 -4.154
64 HA LEU 10 HA LEU 10 4.741 -2.278 -6.243
65 HB2 LEU 10 1HB LEU 10 2.170 -1.719 -5.598
66 HB3 LEU 10 2HB LEU 10 2.423 -0.607 -6.942
67 HG LEU 10 HG LEU 10 3.140 -3.487 -7.272
68 HD11 LEU 10 1HD1 LEU 10 0.722 -3.638 -8.234
69 HD12 LEU 10 2HD1 LEU 10 0.391 -2.343 -7.085
70 HD13 LEU 10 3HD1 LEU 10 1.006 -3.892 -6.512
71 HD21 LEU 10 3HD2 LEU 10 1.776 -2.167 -9.438
72 HD22 LEU 10 1HD2 LEU 10 3.385 -2.887 -9.397
73 HD23 LEU 10 2HD2 LEU 10 3.155 -1.213 -8.891
74 H MET 11 H MET 11 4.192 1.139 -5.617
75 HA MET 11 HA MET 11 5.173 1.965 -8.197
76 HB2 MET 11 1HB MET 11 3.914 3.219 -5.896
77 HB3 MET 11 2HB MET 11 5.247 4.183 -6.519
78 HG2 MET 11 1HG MET 11 4.243 4.198 -8.722
79 HG3 MET 11 2HG MET 11 2.937 3.160 -8.154
80 HE1 MET 11 3HE MET 11 1.348 5.343 -9.339
81 HE2 MET 11 1HE MET 11 1.734 6.994 -8.858
82 HE3 MET 11 2HE MET 11 2.952 6.004 -9.661
Start of MODEL 9
1 H1 THR 1 H THR 1 -5.356 3.695 6.687
2 HA THR 1 HA THR 1 -4.664 2.880 3.941
3 HB THR 1 HB THR 1 -2.634 4.024 5.846
4 HG1 THR 1 HG1 THR 1 -3.772 5.821 5.568
5 HG21 THR 1 3HG2 THR 1 -1.578 4.582 3.569
6 HG22 THR 1 1HG2 THR 1 -2.749 3.448 2.900
7 HG23 THR 1 2HG2 THR 1 -1.569 2.897 4.089
8 H GLY 2 H GLY 2 -5.696 1.084 5.774
9 HA2 GLY 2 1HA GLY 2 -3.520 -0.283 7.107
10 HA3 GLY 2 2HA GLY 2 -5.200 -0.794 7.054
11 H LYS 3 H LYS 3 -5.919 -1.449 4.742
12 HA LYS 3 HA LYS 3 -4.140 -3.565 3.920
13 HB2 LYS 3 1HB LYS 3 -6.747 -3.585 4.087
14 HB3 LYS 3 2HB LYS 3 -6.679 -2.862 2.486
15 HG2 LYS 3 1HG LYS 3 -6.821 -5.058 1.916
16 HG3 LYS 3 2HG LYS 3 -5.067 -4.891 2.011
17 HD2 LYS 3 1HD LYS 3 -4.919 -6.263 3.780
18 HD3 LYS 3 2HD LYS 3 -6.331 -5.550 4.565
19 HE2 LYS 3 1HE LYS 3 -7.256 -7.557 4.117
20 HE3 LYS 3 2HE LYS 3 -7.525 -6.844 2.528
21 HZ1 LYS 3 3HZ LYS 3 -6.364 -9.159 2.793
22 HZ2 LYS 3 1HZ LYS 3 -4.982 -8.211 3.025
23 HZ3 LYS 3 2HZ LYS 3 -5.871 -8.075 1.592
24 H ALA 4 H ALA 4 -4.850 -0.363 2.916
25 HA ALA 4 HA ALA 4 -3.862 -0.749 0.212
26 HB1 ALA 4 3HB ALA 4 -4.347 1.604 -0.106
27 HB2 ALA 4 1HB ALA 4 -5.727 0.797 0.641
28 HB3 ALA 4 2HB ALA 4 -4.654 1.797 1.620
29 H SER 5 H SER 5 -2.144 -1.180 2.623
30 HA SER 5 HA SER 5 -0.198 0.963 2.489
31 HB2 SER 5 1HB SER 5 -0.662 -1.401 4.207
32 HB3 SER 5 2HB SER 5 1.026 -0.949 3.973
33 HG SER 5 HG SER 5 -1.029 0.813 4.828
34 H GLN 6 H GLN 6 -0.486 -2.408 1.479
35 HA GLN 6 HA GLN 6 2.163 -2.703 0.540
36 HB2 GLN 6 1HB GLN 6 1.410 -4.717 -0.506
37 HB3 GLN 6 2HB GLN 6 0.567 -4.573 1.031
38 HG2 GLN 6 1HG GLN 6 -1.183 -3.346 -0.629
39 HG3 GLN 6 2HG GLN 6 -0.477 -4.547 -1.708
40 HE21 GLN 6 2HE2 GLN 6 -0.347 -6.785 -0.756
41 HE22 GLN 6 1HE2 GLN 6 -1.719 -7.329 0.142
42 H PHE 7 H PHE 7 -0.669 -1.236 -0.806
43 HA PHE 7 HA PHE 7 0.036 -1.325 -3.536
44 HB2 PHE 7 1HB PHE 7 -2.084 -0.295 -2.003
45 HB3 PHE 7 2HB PHE 7 -1.417 1.078 -2.879
46 HD1 PHE 7 HD2 PHE 7 -1.426 1.116 -5.323
47 HD2 PHE 7 HD1 PHE 7 -3.218 -2.068 -3.137
48 HE1 PHE 7 HE2 PHE 7 -2.637 0.413 -7.346
49 HE2 PHE 7 HE1 PHE 7 -4.431 -2.776 -5.157
50 HZ PHE 7 HZ PHE 7 -4.143 -1.534 -7.265
51 H PHE 8 H PHE 8 0.930 0.814 -0.917
52 HA PHE 8 HA PHE 8 2.032 2.888 -2.500
53 HB2 PHE 8 1HB PHE 8 1.827 2.234 0.313
54 HB3 PHE 8 2HB PHE 8 3.425 2.866 -0.070
55 HD1 PHE 8 HD2 PHE 8 3.689 5.130 -0.948
56 HD2 PHE 8 HD1 PHE 8 -0.121 3.617 0.197
57 HE1 PHE 8 HE2 PHE 8 2.791 7.420 -0.923
58 HE2 PHE 8 HE1 PHE 8 -1.026 5.905 0.222
59 HZ PHE 8 HZ PHE 8 0.430 7.810 -0.338
60 H GLY 9 H GLY 9 3.233 -0.188 -1.402
61 HA2 GLY 9 1HA GLY 9 6.004 0.384 -1.863
62 HA3 GLY 9 2HA GLY 9 5.297 -1.204 -1.600
63 H LEU 10 H LEU 10 3.365 -0.642 -3.857
64 HA LEU 10 HA LEU 10 4.892 -1.878 -5.907
65 HB2 LEU 10 1HB LEU 10 2.212 -1.577 -5.333
66 HB3 LEU 10 2HB LEU 10 2.425 -0.605 -6.787
67 HG LEU 10 HG LEU 10 3.643 -2.821 -7.618
68 HD11 LEU 10 1HD1 LEU 10 1.950 -4.658 -6.728
69 HD12 LEU 10 2HD1 LEU 10 1.997 -3.636 -5.291
70 HD13 LEU 10 3HD1 LEU 10 3.487 -4.331 -5.928
71 HD21 LEU 10 3HD2 LEU 10 1.007 -3.478 -8.080
72 HD22 LEU 10 1HD2 LEU 10 1.994 -2.391 -9.057
73 HD23 LEU 10 2HD2 LEU 10 0.949 -1.738 -7.795
74 H MET 11 H MET 11 3.831 1.420 -5.299
75 HA MET 11 HA MET 11 4.669 2.422 -7.847
76 HB2 MET 11 1HB MET 11 2.966 3.386 -6.057
77 HB3 MET 11 2HB MET 11 4.404 4.216 -5.478
78 HG2 MET 11 1HG MET 11 4.032 4.392 -8.366
79 HG3 MET 11 2HG MET 11 2.722 5.111 -7.431
80 HE1 MET 11 3HE MET 11 6.469 4.907 -8.078
81 HE2 MET 11 1HE MET 11 5.889 6.125 -9.215
82 HE3 MET 11 2HE MET 11 6.994 6.585 -7.920
Start of MODEL 10
1 H1 THR 1 H THR 1 -6.661 0.989 9.035
2 HA THR 1 HA THR 1 -8.115 0.767 6.520
3 HB THR 1 HB THR 1 -7.349 3.545 7.185
4 HG1 THR 1 HG1 THR 1 -9.579 2.235 8.382
5 HG21 THR 1 3HG2 THR 1 -8.474 2.646 5.058
6 HG22 THR 1 1HG2 THR 1 -9.150 4.100 5.790
7 HG23 THR 1 2HG2 THR 1 -9.937 2.541 6.037
8 H GLY 2 H GLY 2 -5.564 -0.210 7.403
9 HA2 GLY 2 1HA GLY 2 -3.713 1.476 5.841
10 HA3 GLY 2 2HA GLY 2 -3.223 0.344 7.093
11 H LYS 3 H LYS 3 -5.628 -0.423 4.669
12 HA LYS 3 HA LYS 3 -4.113 -2.717 3.832
13 HB2 LYS 3 1HB LYS 3 -6.044 -3.153 2.350
14 HB3 LYS 3 2HB LYS 3 -6.523 -2.895 4.022
15 HG2 LYS 3 1HG LYS 3 -7.829 -1.194 3.463
16 HG3 LYS 3 2HG LYS 3 -6.532 -0.415 2.553
17 HD2 LYS 3 1HD LYS 3 -7.034 -1.782 0.612
18 HD3 LYS 3 2HD LYS 3 -8.274 -2.653 1.520
19 HE2 LYS 3 1HE LYS 3 -9.768 -0.953 1.368
20 HE3 LYS 3 2HE LYS 3 -8.521 0.292 1.437
21 HZ1 LYS 3 3HZ LYS 3 -9.629 -1.102 -0.870
22 HZ2 LYS 3 1HZ LYS 3 -7.974 -0.754 -0.921
23 HZ3 LYS 3 2HZ LYS 3 -9.096 0.497 -0.724
24 H ALA 4 H ALA 4 -4.468 0.524 2.775
25 HA ALA 4 HA ALA 4 -3.588 -0.023 0.061
26 HB1 ALA 4 3HB ALA 4 -3.732 2.740 1.163
27 HB2 ALA 4 1HB ALA 4 -4.139 2.142 -0.447
28 HB3 ALA 4 2HB ALA 4 -5.230 1.845 0.908
29 H SER 5 H SER 5 -1.881 -0.608 2.449
30 HA SER 5 HA SER 5 0.298 1.291 2.234
31 HB2 SER 5 1HB SER 5 -0.142 0.393 4.430
32 HB3 SER 5 2HB SER 5 -0.022 -1.261 3.828
33 HG SER 5 HG SER 5 1.971 -1.013 4.508
34 H GLN 6 H GLN 6 -0.402 -2.040 1.299
35 HA GLN 6 HA GLN 6 2.173 -2.661 0.319
36 HB2 GLN 6 1HB GLN 6 1.071 -4.535 -0.825
37 HB3 GLN 6 2HB GLN 6 0.550 -4.399 0.849
38 HG2 GLN 6 1HG GLN 6 -1.362 -2.939 -0.312
39 HG3 GLN 6 2HG GLN 6 -0.969 -4.017 -1.651
40 HE21 GLN 6 2HE2 GLN 6 -1.301 -6.242 -1.414
41 HE22 GLN 6 1HE2 GLN 6 -2.344 -6.878 -0.193
42 H PHE 7 H PHE 7 -0.492 -0.895 -1.006
43 HA PHE 7 HA PHE 7 0.144 -1.115 -3.746
44 HB2 PHE 7 1HB PHE 7 -1.924 -0.034 -2.379
45 HB3 PHE 7 2HB PHE 7 -1.044 1.429 -2.811
46 HD1 PHE 7 HD1 PHE 7 -2.217 -1.742 -4.388
47 HD2 PHE 7 HD2 PHE 7 -1.566 2.444 -4.799
48 HE1 PHE 7 HE1 PHE 7 -3.216 -1.811 -6.635
49 HE2 PHE 7 HE2 PHE 7 -2.566 2.383 -7.046
50 HZ PHE 7 HZ PHE 7 -3.394 0.253 -7.966
51 H PHE 8 H PHE 8 1.332 0.950 -1.186
52 HA PHE 8 HA PHE 8 2.637 2.852 -2.828
53 HB2 PHE 8 1HB PHE 8 2.062 2.913 -0.273
54 HB3 PHE 8 2HB PHE 8 3.640 2.153 -0.091
55 HD1 PHE 8 HD1 PHE 8 1.967 5.106 -1.603
56 HD2 PHE 8 HD2 PHE 8 5.559 3.450 -0.029
57 HE1 PHE 8 HE1 PHE 8 3.041 7.316 -1.737
58 HE2 PHE 8 HE2 PHE 8 6.637 5.657 -0.161
59 HZ PHE 8 HZ PHE 8 5.379 7.594 -1.015
60 H GLY 9 H GLY 9 3.492 -0.323 -1.692
61 HA2 GLY 9 1HA GLY 9 6.301 -0.088 -2.213
62 HA3 GLY 9 2HA GLY 9 5.419 -1.576 -1.906
63 H LEU 10 H LEU 10 3.521 -0.833 -4.139
64 HA LEU 10 HA LEU 10 4.853 -2.274 -6.192
65 HB2 LEU 10 1HB LEU 10 2.221 -1.524 -5.588
66 HB3 LEU 10 2HB LEU 10 2.574 -0.801 -7.156
67 HG LEU 10 HG LEU 10 2.768 -3.732 -6.460
68 HD11 LEU 10 1HD1 LEU 10 0.917 -2.567 -8.487
69 HD12 LEU 10 2HD1 LEU 10 0.482 -2.507 -6.780
70 HD13 LEU 10 3HD1 LEU 10 0.779 -4.060 -7.559
71 HD21 LEU 10 3HD2 LEU 10 2.956 -3.806 -9.056
72 HD22 LEU 10 1HD2 LEU 10 4.390 -3.480 -8.081
73 HD23 LEU 10 2HD2 LEU 10 3.542 -2.152 -8.876
74 H MET 11 H MET 11 4.197 1.136 -5.631
75 HA MET 11 HA MET 11 5.057 2.008 -8.208
76 HB2 MET 11 1HB MET 11 3.965 3.197 -5.831
77 HB3 MET 11 2HB MET 11 5.370 4.117 -6.353
78 HG2 MET 11 1HG MET 11 3.765 3.505 -8.627
79 HG3 MET 11 2HG MET 11 2.746 4.200 -7.369
80 HE1 MET 11 3HE MET 11 2.133 5.824 -8.968
81 HE2 MET 11 1HE MET 11 2.441 7.113 -7.802
82 HE3 MET 11 2HE MET 11 3.049 7.252 -9.453
Start of MODEL 11
1 H1 THR 1 H THR 1 -6.826 2.988 5.467
2 HA THR 1 HA THR 1 -4.294 3.388 4.171
3 HB THR 1 HB THR 1 -4.756 3.691 7.128
4 HG1 THR 1 HG1 THR 1 -5.910 5.468 6.792
5 HG21 THR 1 3HG2 THR 1 -2.473 3.974 6.150
6 HG22 THR 1 1HG2 THR 1 -3.092 5.413 6.959
7 HG23 THR 1 2HG2 THR 1 -3.103 5.319 5.199
8 H GLY 2 H GLY 2 -5.697 0.982 6.236
9 HA2 GLY 2 1HA GLY 2 -3.181 -0.138 7.090
10 HA3 GLY 2 2HA GLY 2 -4.775 -0.831 7.349
11 H LYS 3 H LYS 3 -5.781 -1.278 4.932
12 HA LYS 3 HA LYS 3 -4.149 -3.443 3.961
13 HB2 LYS 3 1HB LYS 3 -6.931 -2.665 3.834
14 HB3 LYS 3 2HB LYS 3 -6.341 -3.122 2.242
15 HG2 LYS 3 1HG LYS 3 -5.944 -4.843 4.671
16 HG3 LYS 3 2HG LYS 3 -7.367 -4.959 3.633
17 HD2 LYS 3 1HD LYS 3 -6.174 -5.813 1.863
18 HD3 LYS 3 2HD LYS 3 -4.663 -5.061 2.382
19 HE2 LYS 3 1HE LYS 3 -5.412 -6.848 4.422
20 HE3 LYS 3 2HE LYS 3 -5.650 -7.703 2.900
21 HZ1 LYS 3 3HZ LYS 3 -3.335 -6.910 2.317
22 HZ2 LYS 3 1HZ LYS 3 -3.442 -8.108 3.506
23 HZ3 LYS 3 2HZ LYS 3 -3.160 -6.500 3.948
24 H ALA 4 H ALA 4 -4.702 -0.169 3.105
25 HA ALA 4 HA ALA 4 -3.826 -0.501 0.355
26 HB1 ALA 4 3HB ALA 4 -5.567 1.126 0.823
27 HB2 ALA 4 1HB ALA 4 -4.491 1.989 1.922
28 HB3 ALA 4 2HB ALA 4 -4.127 1.931 0.197
29 H SER 5 H SER 5 -2.060 -1.128 2.688
30 HA SER 5 HA SER 5 0.004 0.904 2.571
31 HB2 SER 5 1HB SER 5 -0.547 -0.346 4.679
32 HB3 SER 5 2HB SER 5 0.112 -1.798 3.926
33 HG SER 5 HG SER 5 2.016 -0.218 3.577
34 H GLN 6 H GLN 6 -0.514 -2.399 1.442
35 HA GLN 6 HA GLN 6 2.079 -2.818 0.409
36 HB2 GLN 6 1HB GLN 6 1.058 -4.662 -0.864
37 HB3 GLN 6 2HB GLN 6 0.563 -4.673 0.825
38 HG2 GLN 6 1HG GLN 6 -1.554 -3.592 0.183
39 HG3 GLN 6 2HG GLN 6 -1.058 -3.678 -1.507
40 HE21 GLN 6 2HE2 GLN 6 -3.069 -5.039 0.540
41 HE22 GLN 6 1HE2 GLN 6 -3.066 -6.675 -0.014
42 H PHE 7 H PHE 7 -0.681 -1.108 -0.789
43 HA PHE 7 HA PHE 7 -0.054 -1.116 -3.540
44 HB2 PHE 7 1HB PHE 7 -2.124 -0.149 -2.004
45 HB3 PHE 7 2HB PHE 7 -1.343 1.327 -2.560
46 HD1 PHE 7 HD2 PHE 7 -2.191 -1.991 -4.053
47 HD2 PHE 7 HD1 PHE 7 -2.322 2.248 -4.408
48 HE1 PHE 7 HE2 PHE 7 -3.331 -2.211 -6.222
49 HE2 PHE 7 HE1 PHE 7 -3.464 2.035 -6.577
50 HZ PHE 7 HZ PHE 7 -3.969 -0.197 -7.487
51 H PHE 8 H PHE 8 1.045 0.836 -0.854
52 HA PHE 8 HA PHE 8 2.241 2.906 -2.372
53 HB2 PHE 8 1HB PHE 8 2.147 2.080 0.428
54 HB3 PHE 8 2HB PHE 8 3.703 2.769 -0.027
55 HD1 PHE 8 HD1 PHE 8 3.237 4.910 -1.752
56 HD2 PHE 8 HD2 PHE 8 0.791 3.592 1.473
57 HE1 PHE 8 HE1 PHE 8 2.294 7.172 -1.547
58 HE2 PHE 8 HE2 PHE 8 -0.157 5.852 1.682
59 HZ PHE 8 HZ PHE 8 0.593 7.647 0.171
60 H GLY 9 H GLY 9 3.264 -0.290 -1.450
61 HA2 GLY 9 1HA GLY 9 6.053 0.122 -1.965
62 HA3 GLY 9 2HA GLY 9 5.250 -1.426 -1.753
63 H LEU 10 H LEU 10 3.302 -0.636 -3.925
64 HA LEU 10 HA LEU 10 4.691 -1.870 -6.073
65 HB2 LEU 10 1HB LEU 10 2.025 -1.277 -5.413
66 HB3 LEU 10 2HB LEU 10 2.341 -0.468 -6.946
67 HG LEU 10 HG LEU 10 3.140 -3.317 -6.713
68 HD11 LEU 10 1HD1 LEU 10 0.276 -2.436 -7.037
69 HD12 LEU 10 2HD1 LEU 10 0.942 -3.303 -5.655
70 HD13 LEU 10 3HD1 LEU 10 0.885 -4.079 -7.237
71 HD21 LEU 10 3HD2 LEU 10 1.931 -1.593 -8.869
72 HD22 LEU 10 1HD2 LEU 10 2.306 -3.306 -9.051
73 HD23 LEU 10 2HD2 LEU 10 3.602 -2.146 -8.757
74 H MET 11 H MET 11 3.867 1.457 -5.286
75 HA MET 11 HA MET 11 4.640 2.551 -7.800
76 HB2 MET 11 1HB MET 11 3.139 3.583 -5.960
77 HB3 MET 11 2HB MET 11 4.651 4.090 -5.218
78 HG2 MET 11 1HG MET 11 4.794 5.824 -6.576
79 HG3 MET 11 2HG MET 11 4.673 4.780 -7.990
80 HE1 MET 11 3HE MET 11 3.818 6.603 -9.214
81 HE2 MET 11 1HE MET 11 2.518 5.549 -9.772
82 HE3 MET 11 2HE MET 11 2.153 7.185 -9.222
Start of MODEL 12
1 H1 THR 1 H THR 1 -6.128 3.197 6.567
2 HA THR 1 HA THR 1 -4.614 3.042 4.047
3 HB THR 1 HB THR 1 -4.172 5.229 5.098
4 HG1 THR 1 HG1 THR 1 -2.169 5.009 4.451
5 HG21 THR 1 3HG2 THR 1 -3.348 5.502 7.247
6 HG22 THR 1 1HG2 THR 1 -2.786 3.834 7.355
7 HG23 THR 1 2HG2 THR 1 -4.510 4.195 7.467
8 H GLY 2 H GLY 2 -5.725 0.956 5.776
9 HA2 GLY 2 1HA GLY 2 -3.364 -0.194 7.061
10 HA3 GLY 2 2HA GLY 2 -5.007 -0.810 7.165
11 H LYS 3 H LYS 3 -5.852 -1.390 4.800
12 HA LYS 3 HA LYS 3 -4.123 -3.523 3.925
13 HB2 LYS 3 1HB LYS 3 -6.833 -3.226 4.035
14 HB3 LYS 3 2HB LYS 3 -6.527 -2.932 2.329
15 HG2 LYS 3 1HG LYS 3 -5.395 -5.078 2.147
16 HG3 LYS 3 2HG LYS 3 -5.660 -5.372 3.867
17 HD2 LYS 3 1HD LYS 3 -7.396 -6.549 2.873
18 HD3 LYS 3 2HD LYS 3 -8.160 -5.015 3.296
19 HE2 LYS 3 1HE LYS 3 -7.749 -4.224 0.988
20 HE3 LYS 3 2HE LYS 3 -7.092 -5.810 0.589
21 HZ1 LYS 3 3HZ LYS 3 -9.561 -5.279 0.090
22 HZ2 LYS 3 1HZ LYS 3 -9.793 -5.608 1.734
23 HZ3 LYS 3 2HZ LYS 3 -9.147 -6.795 0.717
24 H ALA 4 H ALA 4 -4.781 -0.297 2.968
25 HA ALA 4 HA ALA 4 -3.837 -0.669 0.246
26 HB1 ALA 4 3HB ALA 4 -4.547 1.481 -0.185
27 HB2 ALA 4 1HB ALA 4 -5.665 0.986 1.086
28 HB3 ALA 4 2HB ALA 4 -4.286 2.015 1.475
29 H SER 5 H SER 5 -2.096 -1.166 2.629
30 HA SER 5 HA SER 5 -0.107 0.939 2.495
31 HB2 SER 5 1HB SER 5 -0.719 -0.380 4.603
32 HB3 SER 5 2HB SER 5 0.194 -1.714 3.900
33 HG SER 5 HG SER 5 1.754 -0.708 4.947
34 H GLN 6 H GLN 6 -0.480 -2.412 1.448
35 HA GLN 6 HA GLN 6 2.149 -2.755 0.474
36 HB2 GLN 6 1HB GLN 6 1.250 -4.690 -0.727
37 HB3 GLN 6 2HB GLN 6 0.667 -4.647 0.932
38 HG2 GLN 6 1HG GLN 6 -1.446 -3.654 0.116
39 HG3 GLN 6 2HG GLN 6 -0.857 -3.840 -1.534
40 HE21 GLN 6 2HE2 GLN 6 -3.103 -5.024 -1.231
41 HE22 GLN 6 1HE2 GLN 6 -2.963 -6.730 -0.997
42 H PHE 7 H PHE 7 -0.659 -1.199 -0.820
43 HA PHE 7 HA PHE 7 0.018 -1.264 -3.559
44 HB2 PHE 7 1HB PHE 7 -1.997 -0.051 -1.909
45 HB3 PHE 7 2HB PHE 7 -1.368 1.147 -3.037
46 HD1 PHE 7 HD1 PHE 7 -2.185 -2.493 -3.220
47 HD2 PHE 7 HD2 PHE 7 -2.679 1.389 -4.894
48 HE1 PHE 7 HE1 PHE 7 -3.588 -3.445 -5.003
49 HE2 PHE 7 HE2 PHE 7 -4.083 0.444 -6.680
50 HZ PHE 7 HZ PHE 7 -4.540 -1.975 -6.736
51 H PHE 8 H PHE 8 0.987 0.812 -0.916
52 HA PHE 8 HA PHE 8 2.123 2.885 -2.478
53 HB2 PHE 8 1HB PHE 8 1.939 2.187 0.329
54 HB3 PHE 8 2HB PHE 8 3.541 2.799 -0.066
55 HD1 PHE 8 HD1 PHE 8 -0.067 3.585 -0.186
56 HD2 PHE 8 HD2 PHE 8 3.906 5.088 -0.464
57 HE1 PHE 8 HE1 PHE 8 -0.935 5.886 -0.112
58 HE2 PHE 8 HE2 PHE 8 3.044 7.391 -0.390
59 HZ PHE 8 HZ PHE 8 0.621 7.793 -0.213
60 H GLY 9 H GLY 9 3.261 -0.236 -1.441
61 HA2 GLY 9 1HA GLY 9 6.040 0.276 -1.921
62 HA3 GLY 9 2HA GLY 9 5.298 -1.297 -1.674
63 H LEU 10 H LEU 10 3.358 -0.654 -3.902
64 HA LEU 10 HA LEU 10 4.835 -1.895 -5.987
65 HB2 LEU 10 1HB LEU 10 2.106 -1.212 -5.434
66 HB3 LEU 10 2HB LEU 10 2.516 -0.729 -7.078
67 HG LEU 10 HG LEU 10 1.500 -2.973 -6.947
68 HD11 LEU 10 1HD1 LEU 10 2.937 -3.976 -8.501
69 HD12 LEU 10 2HD1 LEU 10 4.369 -3.234 -7.791
70 HD13 LEU 10 3HD1 LEU 10 3.216 -2.245 -8.687
71 HD21 LEU 10 3HD2 LEU 10 3.805 -4.396 -5.999
72 HD22 LEU 10 1HD2 LEU 10 2.132 -4.478 -5.444
73 HD23 LEU 10 2HD2 LEU 10 3.231 -3.279 -4.761
74 H MET 11 H MET 11 3.860 1.418 -5.319
75 HA MET 11 HA MET 11 4.769 2.411 -7.863
76 HB2 MET 11 1HB MET 11 3.627 3.609 -5.382
77 HB3 MET 11 2HB MET 11 4.519 4.658 -6.476
78 HG2 MET 11 1HG MET 11 2.995 3.723 -8.307
79 HG3 MET 11 2HG MET 11 1.993 3.133 -6.982
80 HE1 MET 11 3HE MET 11 1.554 6.323 -4.934
81 HE2 MET 11 1HE MET 11 0.206 5.347 -5.517
82 HE3 MET 11 2HE MET 11 1.687 4.564 -4.967
Start of MODEL 13
1 H1 THR 1 H THR 1 -6.745 2.169 7.208
2 HA THR 1 HA THR 1 -6.264 2.571 4.497
3 HB THR 1 HB THR 1 -4.445 4.420 5.979
4 HG1 THR 1 HG1 THR 1 -6.237 5.485 6.519
5 HG21 THR 1 3HG2 THR 1 -5.578 4.721 3.215
6 HG22 THR 1 1HG2 THR 1 -4.215 3.648 3.536
7 HG23 THR 1 2HG2 THR 1 -4.078 5.374 3.873
8 H GLY 2 H GLY 2 -5.953 0.488 6.319
9 HA2 GLY 2 1HA GLY 2 -3.059 0.246 6.742
10 HA3 GLY 2 2HA GLY 2 -4.293 -0.801 7.427
11 H LYS 3 H LYS 3 -5.679 -1.144 4.874
12 HA LYS 3 HA LYS 3 -4.098 -3.336 3.887
13 HB2 LYS 3 1HB LYS 3 -6.860 -2.331 3.509
14 HB3 LYS 3 2HB LYS 3 -6.173 -3.238 2.167
15 HG2 LYS 3 1HG LYS 3 -5.544 -4.780 4.362
16 HG3 LYS 3 2HG LYS 3 -7.156 -4.165 4.735
17 HD2 LYS 3 1HD LYS 3 -7.774 -5.986 3.528
18 HD3 LYS 3 2HD LYS 3 -7.556 -4.858 2.188
19 HE2 LYS 3 1HE LYS 3 -6.430 -6.852 1.582
20 HE3 LYS 3 2HE LYS 3 -5.184 -5.688 2.025
21 HZ1 LYS 3 3HZ LYS 3 -4.505 -7.562 3.133
22 HZ2 LYS 3 1HZ LYS 3 -6.078 -8.086 3.471
23 HZ3 LYS 3 2HZ LYS 3 -5.411 -6.797 4.339
24 H ALA 4 H ALA 4 -4.576 -0.048 3.037
25 HA ALA 4 HA ALA 4 -3.709 -0.394 0.286
26 HB1 ALA 4 3HB ALA 4 -3.726 2.345 1.138
27 HB2 ALA 4 1HB ALA 4 -4.748 1.536 -0.050
28 HB3 ALA 4 2HB ALA 4 -5.208 1.540 1.654
29 H SER 5 H SER 5 -1.956 -1.066 2.618
30 HA SER 5 HA SER 5 0.154 0.918 2.501
31 HB2 SER 5 1HB SER 5 -0.112 -1.716 3.958
32 HB3 SER 5 2HB SER 5 1.347 -0.728 4.018
33 HG SER 5 HG SER 5 0.117 0.941 4.925
34 H GLN 6 H GLN 6 -0.441 -2.371 1.368
35 HA GLN 6 HA GLN 6 2.144 -2.838 0.327
36 HB2 GLN 6 1HB GLN 6 1.001 -4.625 -1.015
37 HB3 GLN 6 2HB GLN 6 0.716 -4.712 0.718
38 HG2 GLN 6 1HG GLN 6 -1.480 -3.901 0.504
39 HG3 GLN 6 2HG GLN 6 -1.205 -3.372 -1.155
40 HE21 GLN 6 2HE2 GLN 6 -1.027 -6.332 0.795
41 HE22 GLN 6 1HE2 GLN 6 -1.735 -7.363 -0.397
42 H PHE 7 H PHE 7 -0.598 -1.091 -0.860
43 HA PHE 7 HA PHE 7 0.011 -1.121 -3.615
44 HB2 PHE 7 1HB PHE 7 -1.797 0.341 -1.834
45 HB3 PHE 7 2HB PHE 7 -1.241 1.300 -3.202
46 HD1 PHE 7 HD2 PHE 7 -1.719 0.567 -5.503
47 HD2 PHE 7 HD1 PHE 7 -3.310 -1.469 -2.121
48 HE1 PHE 7 HE2 PHE 7 -3.377 -0.533 -6.950
49 HE2 PHE 7 HE1 PHE 7 -4.970 -2.574 -3.563
50 HZ PHE 7 HZ PHE 7 -5.006 -2.106 -5.980
51 H PHE 8 H PHE 8 1.158 0.826 -0.945
52 HA PHE 8 HA PHE 8 2.376 2.870 -2.481
53 HB2 PHE 8 1HB PHE 8 2.175 2.141 0.302
54 HB3 PHE 8 2HB PHE 8 3.831 2.594 -0.086
55 HD1 PHE 8 HD1 PHE 8 0.375 3.745 0.163
56 HD2 PHE 8 HD2 PHE 8 4.377 4.847 -0.774
57 HE1 PHE 8 HE1 PHE 8 -0.254 6.120 0.290
58 HE2 PHE 8 HE2 PHE 8 3.756 7.224 -0.648
59 HZ PHE 8 HZ PHE 8 1.438 7.864 -0.114
60 H GLY 9 H GLY 9 3.355 -0.337 -1.550
61 HA2 GLY 9 1HA GLY 9 6.147 0.029 -2.084
62 HA3 GLY 9 2HA GLY 9 5.321 -1.506 -1.859
63 H LEU 10 H LEU 10 3.372 -0.694 -4.023
64 HA LEU 10 HA LEU 10 4.727 -1.961 -6.174
65 HB2 LEU 10 1HB LEU 10 2.077 -1.332 -5.499
66 HB3 LEU 10 2HB LEU 10 2.392 -0.519 -7.031
67 HG LEU 10 HG LEU 10 1.371 -2.735 -7.325
68 HD11 LEU 10 1HD1 LEU 10 3.520 -1.654 -8.685
69 HD12 LEU 10 2HD1 LEU 10 2.464 -2.948 -9.250
70 HD13 LEU 10 3HD1 LEU 10 3.978 -3.339 -8.435
71 HD21 LEU 10 3HD2 LEU 10 3.942 -3.899 -6.289
72 HD22 LEU 10 1HD2 LEU 10 2.448 -4.739 -6.706
73 HD23 LEU 10 2HD2 LEU 10 2.509 -3.705 -5.278
74 H MET 11 H MET 11 3.960 1.383 -5.399
75 HA MET 11 HA MET 11 4.859 2.393 -7.938
76 HB2 MET 11 1HB MET 11 3.781 3.540 -5.426
77 HB3 MET 11 2HB MET 11 4.818 4.590 -6.383
78 HG2 MET 11 1HG MET 11 3.208 4.976 -7.852
79 HG3 MET 11 2HG MET 11 2.883 3.256 -8.047
80 HE1 MET 11 3HE MET 11 0.090 5.974 -7.350
81 HE2 MET 11 1HE MET 11 0.954 6.518 -5.911
82 HE3 MET 11 2HE MET 11 1.807 6.368 -7.447
Start of MODEL 14
1 H1 THR 1 H THR 1 -7.692 1.787 6.336
2 HA THR 1 HA THR 1 -5.831 3.314 4.708
3 HB THR 1 HB THR 1 -6.840 4.455 6.600
4 HG1 THR 1 HG1 THR 1 -4.996 5.422 7.099
5 HG21 THR 1 3HG2 THR 1 -5.403 3.090 8.721
6 HG22 THR 1 1HG2 THR 1 -6.557 2.028 7.915
7 HG23 THR 1 2HG2 THR 1 -7.104 3.546 8.625
8 H GLY 2 H GLY 2 -5.868 0.474 6.723
9 HA2 GLY 2 1HA GLY 2 -2.954 0.326 6.792
10 HA3 GLY 2 2HA GLY 2 -4.072 -0.771 7.590
11 H LYS 3 H LYS 3 -5.589 -0.929 4.952
12 HA LYS 3 HA LYS 3 -4.118 -3.199 3.938
13 HB2 LYS 3 1HB LYS 3 -6.840 -2.368 3.993
14 HB3 LYS 3 2HB LYS 3 -6.380 -2.583 2.309
15 HG2 LYS 3 1HG LYS 3 -5.858 -4.669 4.405
16 HG3 LYS 3 2HG LYS 3 -7.360 -4.593 3.481
17 HD2 LYS 3 1HD LYS 3 -5.303 -4.391 1.593
18 HD3 LYS 3 2HD LYS 3 -4.792 -5.652 2.719
19 HE2 LYS 3 1HE LYS 3 -6.085 -7.014 1.504
20 HE3 LYS 3 2HE LYS 3 -7.438 -6.244 2.330
21 HZ1 LYS 3 3HZ LYS 3 -8.025 -5.106 0.495
22 HZ2 LYS 3 1HZ LYS 3 -7.208 -6.349 -0.310
23 HZ3 LYS 3 2HZ LYS 3 -6.433 -4.873 -0.027
24 H ALA 4 H ALA 4 -4.498 0.115 3.149
25 HA ALA 4 HA ALA 4 -3.698 -0.216 0.377
26 HB1 ALA 4 3HB ALA 4 -3.618 2.507 1.333
27 HB2 ALA 4 1HB ALA 4 -4.621 1.783 0.076
28 HB3 ALA 4 2HB ALA 4 -5.137 1.721 1.762
29 H SER 5 H SER 5 -1.924 -0.987 2.660
30 HA SER 5 HA SER 5 0.251 0.924 2.533
31 HB2 SER 5 1HB SER 5 0.004 -0.066 4.666
32 HB3 SER 5 2HB SER 5 -0.154 -1.685 3.987
33 HG SER 5 HG SER 5 1.934 -1.866 4.013
34 H GLN 6 H GLN 6 -0.481 -2.323 1.359
35 HA GLN 6 HA GLN 6 2.062 -2.873 0.265
36 HB2 GLN 6 1HB GLN 6 0.865 -4.601 -1.065
37 HB3 GLN 6 2HB GLN 6 0.506 -4.669 0.656
38 HG2 GLN 6 1HG GLN 6 -1.659 -4.089 0.373
39 HG3 GLN 6 2HG GLN 6 -1.316 -3.050 -1.009
40 HE21 GLN 6 2HE2 GLN 6 -1.075 -3.998 -3.067
41 HE22 GLN 6 1HE2 GLN 6 -1.746 -5.551 -3.420
42 H PHE 7 H PHE 7 -0.615 -0.981 -0.846
43 HA PHE 7 HA PHE 7 -0.043 -0.973 -3.608
44 HB2 PHE 7 1HB PHE 7 -1.944 0.217 -1.902
45 HB3 PHE 7 2HB PHE 7 -1.154 1.542 -2.749
46 HD1 PHE 7 HD1 PHE 7 -0.618 0.478 -5.372
47 HD2 PHE 7 HD2 PHE 7 -4.008 -0.104 -2.865
48 HE1 PHE 7 HE1 PHE 7 -2.007 0.039 -7.356
49 HE2 PHE 7 HE2 PHE 7 -5.401 -0.544 -4.844
50 HZ PHE 7 HZ PHE 7 -4.401 -0.474 -7.093
51 H PHE 8 H PHE 8 1.221 0.859 -0.909
52 HA PHE 8 HA PHE 8 2.509 2.884 -2.415
53 HB2 PHE 8 1HB PHE 8 2.053 2.472 0.242
54 HB3 PHE 8 2HB PHE 8 3.772 2.113 0.133
55 HD1 PHE 8 HD2 PHE 8 5.369 3.833 -0.454
56 HD2 PHE 8 HD1 PHE 8 1.211 4.696 -0.171
57 HE1 PHE 8 HE2 PHE 8 5.875 6.241 -0.418
58 HE2 PHE 8 HE1 PHE 8 1.709 7.105 -0.136
59 HZ PHE 8 HZ PHE 8 4.044 7.879 -0.259
60 H GLY 9 H GLY 9 3.358 -0.383 -1.571
61 HA2 GLY 9 1HA GLY 9 6.157 -0.127 -2.133
62 HA3 GLY 9 2HA GLY 9 5.267 -1.629 -1.933
63 H LEU 10 H LEU 10 3.329 -0.683 -4.052
64 HA LEU 10 HA LEU 10 4.601 -1.957 -6.249
65 HB2 LEU 10 1HB LEU 10 2.007 -1.376 -5.524
66 HB3 LEU 10 2HB LEU 10 2.277 -0.331 -6.917
67 HG LEU 10 HG LEU 10 3.070 -3.160 -7.236
68 HD11 LEU 10 1HD1 LEU 10 0.528 -3.479 -7.897
69 HD12 LEU 10 2HD1 LEU 10 0.301 -2.303 -6.604
70 HD13 LEU 10 3HD1 LEU 10 1.120 -3.829 -6.272
71 HD21 LEU 10 3HD2 LEU 10 3.039 -2.524 -9.360
72 HD22 LEU 10 1HD2 LEU 10 2.566 -0.903 -8.850
73 HD23 LEU 10 2HD2 LEU 10 1.331 -2.101 -9.239
74 H MET 11 H MET 11 3.990 1.398 -5.387
75 HA MET 11 HA MET 11 4.793 2.484 -7.897
76 HB2 MET 11 1HB MET 11 3.768 3.467 -5.411
77 HB3 MET 11 2HB MET 11 5.191 4.403 -5.848
78 HG2 MET 11 1HG MET 11 3.524 4.042 -8.147
79 HG3 MET 11 2HG MET 11 2.575 4.685 -6.810
80 HE1 MET 11 3HE MET 11 2.792 8.046 -7.928
81 HE2 MET 11 1HE MET 11 2.987 7.030 -9.357
82 HE3 MET 11 2HE MET 11 1.951 6.498 -8.033
Start of MODEL 15
1 H1 THR 1 H THR 1 -7.836 2.249 6.432
2 HA THR 1 HA THR 1 -6.058 3.008 4.416
3 HB THR 1 HB THR 1 -5.016 3.650 7.045
4 HG1 THR 1 HG1 THR 1 -6.895 4.783 7.751
5 HG21 THR 1 3HG2 THR 1 -5.728 5.979 6.183
6 HG22 THR 1 1HG2 THR 1 -6.120 5.137 4.684
7 HG23 THR 1 2HG2 THR 1 -4.471 5.108 5.307
8 H GLY 2 H GLY 2 -5.752 0.642 6.970
9 HA2 GLY 2 1HA GLY 2 -2.911 0.358 6.784
10 HA3 GLY 2 2HA GLY 2 -4.018 -0.747 7.584
11 H LYS 3 H LYS 3 -5.575 -0.890 4.978
12 HA LYS 3 HA LYS 3 -4.137 -3.155 3.922
13 HB2 LYS 3 1HB LYS 3 -6.096 -3.586 2.617
14 HB3 LYS 3 2HB LYS 3 -6.626 -3.103 4.223
15 HG2 LYS 3 1HG LYS 3 -6.568 -0.716 2.894
16 HG3 LYS 3 2HG LYS 3 -7.083 -1.840 1.634
17 HD2 LYS 3 1HD LYS 3 -8.357 -1.846 4.351
18 HD3 LYS 3 2HD LYS 3 -8.893 -0.736 3.087
19 HE2 LYS 3 1HE LYS 3 -8.617 -3.536 2.243
20 HE3 LYS 3 2HE LYS 3 -9.859 -3.251 3.459
21 HZ1 LYS 3 3HZ LYS 3 -9.645 -2.051 0.761
22 HZ2 LYS 3 1HZ LYS 3 -10.663 -1.416 1.954
23 HZ3 LYS 3 2HZ LYS 3 -10.904 -2.991 1.389
24 H ALA 4 H ALA 4 -4.454 0.174 3.169
25 HA ALA 4 HA ALA 4 -3.655 -0.141 0.395
26 HB1 ALA 4 3HB ALA 4 -3.660 2.533 1.666
27 HB2 ALA 4 1HB ALA 4 -4.261 2.022 0.087
28 HB3 ALA 4 2HB ALA 4 -5.208 1.698 1.540
29 H SER 5 H SER 5 -1.900 -0.969 2.674
30 HA SER 5 HA SER 5 0.310 0.903 2.572
31 HB2 SER 5 1HB SER 5 -0.529 -1.201 4.324
32 HB3 SER 5 2HB SER 5 1.114 -1.539 3.778
33 HG SER 5 HG SER 5 0.826 -0.139 5.706
34 H GLN 6 H GLN 6 -0.480 -2.317 1.361
35 HA GLN 6 HA GLN 6 2.060 -2.887 0.258
36 HB2 GLN 6 1HB GLN 6 0.918 -4.654 -0.984
37 HB3 GLN 6 2HB GLN 6 0.389 -4.628 0.692
38 HG2 GLN 6 1HG GLN 6 -1.437 -2.993 -0.523
39 HG3 GLN 6 2HG GLN 6 -1.125 -4.210 -1.760
40 HE21 GLN 6 2HE2 GLN 6 -2.473 -5.843 -1.693
41 HE22 GLN 6 1HE2 GLN 6 -3.217 -6.502 -0.280
42 H PHE 7 H PHE 7 -0.612 -0.973 -0.827
43 HA PHE 7 HA PHE 7 -0.059 -0.962 -3.594
44 HB2 PHE 7 1HB PHE 7 -1.862 0.365 -1.797
45 HB3 PHE 7 2HB PHE 7 -1.150 1.551 -2.886
46 HD1 PHE 7 HD2 PHE 7 -2.431 -1.946 -3.177
47 HD2 PHE 7 HD1 PHE 7 -2.434 2.022 -4.715
48 HE1 PHE 7 HE2 PHE 7 -3.997 -2.636 -4.944
49 HE2 PHE 7 HE1 PHE 7 -4.001 1.339 -6.484
50 HZ PHE 7 HZ PHE 7 -4.784 -0.993 -6.601
51 H PHE 8 H PHE 8 1.238 0.852 -0.901
52 HA PHE 8 HA PHE 8 2.529 2.872 -2.411
53 HB2 PHE 8 1HB PHE 8 2.440 2.004 0.373
54 HB3 PHE 8 2HB PHE 8 4.037 2.573 -0.102
55 HD1 PHE 8 HD2 PHE 8 0.447 3.541 -0.206
56 HD2 PHE 8 HD1 PHE 8 4.500 4.837 -0.102
57 HE1 PHE 8 HE2 PHE 8 -0.307 5.867 0.062
58 HE2 PHE 8 HE1 PHE 8 3.752 7.166 0.167
59 HZ PHE 8 HZ PHE 8 1.346 7.684 0.248
60 H GLY 9 H GLY 9 3.360 -0.403 -1.581
61 HA2 GLY 9 1HA GLY 9 6.157 -0.166 -2.163
62 HA3 GLY 9 2HA GLY 9 5.257 -1.662 -1.960
63 H LEU 10 H LEU 10 3.311 -0.697 -4.062
64 HA LEU 10 HA LEU 10 4.557 -1.973 -6.271
65 HB2 LEU 10 1HB LEU 10 1.991 -1.490 -5.540
66 HB3 LEU 10 2HB LEU 10 2.207 -0.291 -6.813
67 HG LEU 10 HG LEU 10 2.794 -3.215 -7.220
68 HD11 LEU 10 1HD1 LEU 10 0.349 -2.215 -8.424
69 HD12 LEU 10 2HD1 LEU 10 0.294 -2.201 -6.662
70 HD13 LEU 10 3HD1 LEU 10 0.643 -3.701 -7.521
71 HD21 LEU 10 3HD2 LEU 10 3.706 -2.320 -9.064
72 HD22 LEU 10 1HD2 LEU 10 2.872 -0.780 -8.850
73 HD23 LEU 10 2HD2 LEU 10 2.035 -2.140 -9.602
74 H MET 11 H MET 11 3.977 1.383 -5.397
75 HA MET 11 HA MET 11 4.925 2.389 -7.931
76 HB2 MET 11 1HB MET 11 4.671 4.609 -6.878
77 HB3 MET 11 2HB MET 11 3.213 3.634 -6.744
78 HG2 MET 11 1HG MET 11 3.483 3.304 -4.471
79 HG3 MET 11 2HG MET 11 5.206 3.671 -4.522
80 HE1 MET 11 3HE MET 11 2.191 5.945 -2.799
81 HE2 MET 11 1HE MET 11 1.526 5.971 -4.432
82 HE3 MET 11 2HE MET 11 1.980 4.437 -3.690
Start of MODEL 16
1 H1 THR 1 H THR 1 -6.659 2.219 7.160
2 HA THR 1 HA THR 1 -6.212 2.639 4.391
3 HB THR 1 HB THR 1 -6.058 4.999 5.175
4 HG1 THR 1 HG1 THR 1 -4.716 3.980 3.415
5 HG21 THR 1 3HG2 THR 1 -4.923 5.545 7.013
6 HG22 THR 1 1HG2 THR 1 -3.445 4.863 6.337
7 HG23 THR 1 2HG2 THR 1 -4.546 3.840 7.260
8 H GLY 2 H GLY 2 -5.900 0.572 6.399
9 HA2 GLY 2 1HA GLY 2 -3.013 0.278 6.711
10 HA3 GLY 2 2HA GLY 2 -4.247 -0.778 7.383
11 H LYS 3 H LYS 3 -5.684 -1.251 4.976
12 HA LYS 3 HA LYS 3 -4.099 -3.365 3.901
13 HB2 LYS 3 1HB LYS 3 -6.853 -2.560 3.860
14 HB3 LYS 3 2HB LYS 3 -6.325 -2.899 2.217
15 HG2 LYS 3 1HG LYS 3 -6.016 -5.114 2.622
16 HG3 LYS 3 2HG LYS 3 -5.609 -4.862 4.320
17 HD2 LYS 3 1HD LYS 3 -7.812 -4.801 4.980
18 HD3 LYS 3 2HD LYS 3 -8.382 -4.268 3.396
19 HE2 LYS 3 1HE LYS 3 -7.125 -6.878 3.280
20 HE3 LYS 3 2HE LYS 3 -8.472 -6.848 4.416
21 HZ1 LYS 3 3HZ LYS 3 -8.992 -7.403 2.012
22 HZ2 LYS 3 1HZ LYS 3 -8.727 -5.766 1.676
23 HZ3 LYS 3 2HZ LYS 3 -9.955 -6.222 2.745
24 H ALA 4 H ALA 4 -4.573 -0.070 3.077
25 HA ALA 4 HA ALA 4 -3.724 -0.400 0.319
26 HB1 ALA 4 3HB ALA 4 -5.311 1.284 0.503
27 HB2 ALA 4 1HB ALA 4 -4.595 1.936 1.977
28 HB3 ALA 4 2HB ALA 4 -3.793 2.179 0.425
29 H SER 5 H SER 5 -1.959 -1.091 2.636
30 HA SER 5 HA SER 5 0.154 0.889 2.520
31 HB2 SER 5 1HB SER 5 -0.520 -0.525 4.580
32 HB3 SER 5 2HB SER 5 0.394 -1.821 3.810
33 HG SER 5 HG SER 5 2.116 -0.099 3.682
34 H GLN 6 H GLN 6 -0.455 -2.391 1.369
35 HA GLN 6 HA GLN 6 2.121 -2.863 0.313
36 HB2 GLN 6 1HB GLN 6 1.068 -4.689 -0.936
37 HB3 GLN 6 2HB GLN 6 0.539 -4.674 0.741
38 HG2 GLN 6 1HG GLN 6 -1.353 -3.129 -0.505
39 HG3 GLN 6 2HG GLN 6 -0.994 -4.365 -1.711
40 HE21 GLN 6 2HE2 GLN 6 -2.786 -5.585 -1.579
41 HE22 GLN 6 1HE2 GLN 6 -3.305 -6.414 -0.155
42 H PHE 7 H PHE 7 -0.613 -1.087 -0.851
43 HA PHE 7 HA PHE 7 -0.009 -1.093 -3.607
44 HB2 PHE 7 1HB PHE 7 -1.630 0.683 -1.817
45 HB3 PHE 7 2HB PHE 7 -1.329 1.164 -3.483
46 HD1 PHE 7 HD1 PHE 7 -2.550 -1.740 -1.496
47 HD2 PHE 7 HD2 PHE 7 -2.781 0.467 -5.129
48 HE1 PHE 7 HE1 PHE 7 -4.419 -3.159 -2.237
49 HE2 PHE 7 HE2 PHE 7 -4.650 -0.948 -5.875
50 HZ PHE 7 HZ PHE 7 -5.472 -2.764 -4.428
51 H PHE 8 H PHE 8 1.155 0.819 -0.919
52 HA PHE 8 HA PHE 8 2.382 2.873 -2.438
53 HB2 PHE 8 1HB PHE 8 2.826 1.859 0.368
54 HB3 PHE 8 2HB PHE 8 3.742 3.204 -0.304
55 HD1 PHE 8 HD2 PHE 8 1.841 4.771 -1.742
56 HD2 PHE 8 HD1 PHE 8 1.330 2.651 1.914
57 HE1 PHE 8 HE2 PHE 8 0.038 6.318 -1.101
58 HE2 PHE 8 HE1 PHE 8 -0.474 4.194 2.560
59 HZ PHE 8 HZ PHE 8 -1.122 6.031 1.053
60 H GLY 9 H GLY 9 3.344 -0.349 -1.541
61 HA2 GLY 9 1HA GLY 9 6.137 0.006 -2.076
62 HA3 GLY 9 2HA GLY 9 5.303 -1.526 -1.865
63 H LEU 10 H LEU 10 3.355 -0.682 -4.018
64 HA LEU 10 HA LEU 10 4.700 -1.933 -6.183
65 HB2 LEU 10 1HB LEU 10 2.040 -1.179 -5.516
66 HB3 LEU 10 2HB LEU 10 2.409 -0.537 -7.115
67 HG LEU 10 HG LEU 10 3.284 -3.232 -7.059
68 HD11 LEU 10 1HD1 LEU 10 1.929 -4.055 -5.443
69 HD12 LEU 10 2HD1 LEU 10 0.762 -4.053 -6.765
70 HD13 LEU 10 3HD1 LEU 10 0.765 -2.738 -5.589
71 HD21 LEU 10 3HD2 LEU 10 2.647 -2.472 -9.116
72 HD22 LEU 10 1HD2 LEU 10 1.261 -1.582 -8.483
73 HD23 LEU 10 2HD2 LEU 10 1.181 -3.336 -8.651
74 H MET 11 H MET 11 3.953 1.406 -5.372
75 HA MET 11 HA MET 11 4.802 2.461 -7.897
76 HB2 MET 11 1HB MET 11 3.672 3.488 -5.421
77 HB3 MET 11 2HB MET 11 4.937 4.536 -6.050
78 HG2 MET 11 1HG MET 11 2.937 5.337 -6.967
79 HG3 MET 11 2HG MET 11 3.732 4.450 -8.265
80 HE1 MET 11 3HE MET 11 2.363 3.773 -9.776
81 HE2 MET 11 1HE MET 11 0.992 2.669 -9.662
82 HE3 MET 11 2HE MET 11 0.758 4.397 -9.395
Start of MODEL 17
1 H1 THR 1 H THR 1 -7.054 2.589 5.939
2 HA THR 1 HA THR 1 -4.927 3.226 4.051
3 HB THR 1 HB THR 1 -4.776 3.681 7.018
4 HG1 THR 1 HG1 THR 1 -6.345 5.078 6.852
5 HG21 THR 1 3HG2 THR 1 -2.760 4.356 6.223
6 HG22 THR 1 1HG2 THR 1 -3.656 5.827 5.852
7 HG23 THR 1 2HG2 THR 1 -3.372 4.627 4.592
8 H GLY 2 H GLY 2 -5.680 0.945 6.581
9 HA2 GLY 2 1HA GLY 2 -3.028 0.002 7.009
10 HA3 GLY 2 2HA GLY 2 -4.509 -0.831 7.460
11 H LYS 3 H LYS 3 -5.699 -1.155 4.979
12 HA LYS 3 HA LYS 3 -4.146 -3.351 3.952
13 HB2 LYS 3 1HB LYS 3 -6.069 -3.910 2.665
14 HB3 LYS 3 2HB LYS 3 -6.653 -3.368 4.233
15 HG2 LYS 3 1HG LYS 3 -6.908 -1.069 3.096
16 HG3 LYS 3 2HG LYS 3 -6.794 -1.981 1.588
17 HD2 LYS 3 1HD LYS 3 -8.718 -3.285 2.151
18 HD3 LYS 3 2HD LYS 3 -8.756 -2.620 3.785
19 HE2 LYS 3 1HE LYS 3 -10.076 -0.980 3.079
20 HE3 LYS 3 2HE LYS 3 -8.813 -0.445 1.972
21 HZ1 LYS 3 3HZ LYS 3 -11.260 -1.431 1.272
22 HZ2 LYS 3 1HZ LYS 3 -10.214 -2.729 0.983
23 HZ3 LYS 3 2HZ LYS 3 -9.933 -1.235 0.242
24 H ALA 4 H ALA 4 -4.602 -0.047 3.155
25 HA ALA 4 HA ALA 4 -3.762 -0.361 0.393
26 HB1 ALA 4 3HB ALA 4 -3.947 2.110 0.318
27 HB2 ALA 4 1HB ALA 4 -5.431 1.312 0.838
28 HB3 ALA 4 2HB ALA 4 -4.387 2.094 2.026
29 H SER 5 H SER 5 -1.996 -1.083 2.699
30 HA SER 5 HA SER 5 0.131 0.884 2.593
31 HB2 SER 5 1HB SER 5 -0.093 -1.790 3.990
32 HB3 SER 5 2HB SER 5 1.319 -0.740 4.099
33 HG SER 5 HG SER 5 -0.670 -0.641 5.675
34 H GLN 6 H GLN 6 -0.504 -2.382 1.415
35 HA GLN 6 HA GLN 6 2.067 -2.860 0.346
36 HB2 GLN 6 1HB GLN 6 0.947 -4.641 -0.969
37 HB3 GLN 6 2HB GLN 6 0.552 -4.698 0.745
38 HG2 GLN 6 1HG GLN 6 -1.618 -4.393 0.365
39 HG3 GLN 6 2HG GLN 6 -1.323 -3.092 -0.787
40 HE21 GLN 6 2HE2 GLN 6 -0.910 -6.611 -0.551
41 HE22 GLN 6 1HE2 GLN 6 -1.473 -6.955 -2.148
42 H PHE 7 H PHE 7 -0.662 -1.061 -0.792
43 HA PHE 7 HA PHE 7 -0.072 -1.051 -3.550
44 HB2 PHE 7 1HB PHE 7 -2.089 -0.038 -1.966
45 HB3 PHE 7 2HB PHE 7 -1.280 1.416 -2.539
46 HD1 PHE 7 HD1 PHE 7 -2.754 -1.777 -3.739
47 HD2 PHE 7 HD2 PHE 7 -1.761 2.263 -4.640
48 HE1 PHE 7 HE1 PHE 7 -3.946 -1.966 -5.884
49 HE2 PHE 7 HE2 PHE 7 -2.953 2.080 -6.786
50 HZ PHE 7 HZ PHE 7 -4.047 -0.036 -7.410
51 H PHE 8 H PHE 8 1.116 0.835 -0.857
52 HA PHE 8 HA PHE 8 2.347 2.892 -2.366
53 HB2 PHE 8 1HB PHE 8 2.383 1.968 0.437
54 HB3 PHE 8 2HB PHE 8 3.836 2.809 -0.092
55 HD1 PHE 8 HD2 PHE 8 3.490 5.087 -1.258
56 HD2 PHE 8 HD1 PHE 8 0.541 3.171 1.140
57 HE1 PHE 8 HE2 PHE 8 2.359 7.247 -0.927
58 HE2 PHE 8 HE1 PHE 8 -0.595 5.328 1.474
59 HZ PHE 8 HZ PHE 8 0.314 7.370 0.440
60 H GLY 9 H GLY 9 3.295 -0.342 -1.497
61 HA2 GLY 9 1HA GLY 9 6.087 0.000 -2.045
62 HA3 GLY 9 2HA GLY 9 5.245 -1.528 -1.840
63 H LEU 10 H LEU 10 3.290 -0.658 -3.977
64 HA LEU 10 HA LEU 10 4.615 -1.903 -6.157
65 HB2 LEU 10 1HB LEU 10 1.984 -1.295 -5.451
66 HB3 LEU 10 2HB LEU 10 2.279 -0.400 -6.940
67 HG LEU 10 HG LEU 10 2.837 -3.346 -6.705
68 HD11 LEU 10 1HD1 LEU 10 0.425 -2.684 -8.147
69 HD12 LEU 10 2HD1 LEU 10 0.319 -2.198 -6.456
70 HD13 LEU 10 3HD1 LEU 10 0.687 -3.873 -6.870
71 HD21 LEU 10 3HD2 LEU 10 3.855 -2.680 -8.634
72 HD22 LEU 10 1HD2 LEU 10 2.762 -1.317 -8.874
73 HD23 LEU 10 2HD2 LEU 10 2.224 -2.954 -9.251
74 H MET 11 H MET 11 3.894 1.436 -5.320
75 HA MET 11 HA MET 11 4.807 2.469 -7.849
76 HB2 MET 11 1HB MET 11 4.474 4.672 -6.828
77 HB3 MET 11 2HB MET 11 3.067 3.643 -6.596
78 HG2 MET 11 1HG MET 11 3.375 3.481 -4.346
79 HG3 MET 11 2HG MET 11 5.121 3.691 -4.459
80 HE1 MET 11 3HE MET 11 5.716 7.411 -4.439
81 HE2 MET 11 1HE MET 11 6.362 5.771 -4.391
82 HE3 MET 11 2HE MET 11 5.716 6.420 -5.898
Start of MODEL 18
1 H1 THR 1 H THR 1 -6.178 3.305 6.544
2 HA THR 1 HA THR 1 -4.357 3.228 4.237
3 HB THR 1 HB THR 1 -3.333 4.248 6.855
4 HG1 THR 1 HG1 THR 1 -4.066 6.263 6.460
5 HG21 THR 1 3HG2 THR 1 -1.596 5.115 5.595
6 HG22 THR 1 1HG2 THR 1 -2.568 5.208 4.126
7 HG23 THR 1 2HG2 THR 1 -1.985 3.645 4.702
8 H GLY 2 H GLY 2 -5.602 1.007 5.411
9 HA2 GLY 2 1HA GLY 2 -3.439 -0.221 6.994
10 HA3 GLY 2 2HA GLY 2 -5.110 -0.768 6.974
11 H LYS 3 H LYS 3 -5.903 -1.584 4.829
12 HA LYS 3 HA LYS 3 -4.119 -3.602 3.894
13 HB2 LYS 3 1HB LYS 3 -5.962 -4.214 2.374
14 HB3 LYS 3 2HB LYS 3 -6.505 -4.035 4.037
15 HG2 LYS 3 1HG LYS 3 -7.845 -2.299 3.552
16 HG3 LYS 3 2HG LYS 3 -6.714 -1.614 2.383
17 HD2 LYS 3 1HD LYS 3 -7.682 -2.669 0.648
18 HD3 LYS 3 2HD LYS 3 -7.916 -4.161 1.562
19 HE2 LYS 3 1HE LYS 3 -10.093 -3.590 1.416
20 HE3 LYS 3 2HE LYS 3 -9.700 -2.567 2.797
21 HZ1 LYS 3 3HZ LYS 3 -10.623 -1.789 0.272
22 HZ2 LYS 3 1HZ LYS 3 -9.063 -1.166 0.464
23 HZ3 LYS 3 2HZ LYS 3 -10.261 -0.809 1.602
24 H ALA 4 H ALA 4 -4.809 -0.386 2.926
25 HA ALA 4 HA ALA 4 -3.835 -0.748 0.215
26 HB1 ALA 4 3HB ALA 4 -4.808 1.661 1.731
27 HB2 ALA 4 1HB ALA 4 -4.167 1.745 0.090
28 HB3 ALA 4 2HB ALA 4 -5.618 0.800 0.423
29 H SER 5 H SER 5 -2.111 -1.220 2.616
30 HA SER 5 HA SER 5 -0.149 0.912 2.498
31 HB2 SER 5 1HB SER 5 -0.362 -1.654 4.063
32 HB3 SER 5 2HB SER 5 1.120 -0.698 4.060
33 HG SER 5 HG SER 5 0.008 0.114 5.731
34 H GLN 6 H GLN 6 -0.466 -2.445 1.451
35 HA GLN 6 HA GLN 6 2.178 -2.746 0.499
36 HB2 GLN 6 1HB GLN 6 1.400 -4.741 -0.579
37 HB3 GLN 6 2HB GLN 6 0.590 -4.618 0.977
38 HG2 GLN 6 1HG GLN 6 -1.188 -5.171 -0.307
39 HG3 GLN 6 2HG GLN 6 -1.254 -3.419 -0.487
40 HE21 GLN 6 2HE2 GLN 6 -2.495 -4.829 -2.351
41 HE22 GLN 6 1HE2 GLN 6 -1.613 -4.839 -3.836
42 H PHE 7 H PHE 7 -0.651 -1.248 -0.819
43 HA PHE 7 HA PHE 7 0.039 -1.316 -3.553
44 HB2 PHE 7 1HB PHE 7 -2.221 -0.735 -2.606
45 HB3 PHE 7 2HB PHE 7 -1.560 0.835 -2.159
46 HD1 PHE 7 HD1 PHE 7 -1.833 -1.391 -5.140
47 HD2 PHE 7 HD2 PHE 7 -1.861 2.583 -3.615
48 HE1 PHE 7 HE1 PHE 7 -2.365 -0.537 -7.386
49 HE2 PHE 7 HE2 PHE 7 -2.395 3.443 -5.857
50 HZ PHE 7 HZ PHE 7 -2.649 1.883 -7.746
51 H PHE 8 H PHE 8 0.958 0.792 -0.919
52 HA PHE 8 HA PHE 8 2.066 2.874 -2.486
53 HB2 PHE 8 1HB PHE 8 2.104 2.079 0.363
54 HB3 PHE 8 2HB PHE 8 3.463 3.058 -0.177
55 HD1 PHE 8 HD2 PHE 8 2.831 5.196 -1.542
56 HD2 PHE 8 HD1 PHE 8 0.175 3.121 1.058
57 HE1 PHE 8 HE2 PHE 8 1.452 7.223 -1.337
58 HE2 PHE 8 HE1 PHE 8 -1.209 5.145 1.266
59 HZ PHE 8 HZ PHE 8 -0.571 7.200 0.067
60 H GLY 9 H GLY 9 3.252 -0.219 -1.425
61 HA2 GLY 9 1HA GLY 9 6.024 0.340 -1.895
62 HA3 GLY 9 2HA GLY 9 5.309 -1.245 -1.643
63 H LEU 10 H LEU 10 3.370 -0.650 -3.885
64 HA LEU 10 HA LEU 10 4.880 -1.875 -5.955
65 HB2 LEU 10 1HB LEU 10 2.110 -1.010 -5.526
66 HB3 LEU 10 2HB LEU 10 2.642 -0.945 -7.205
67 HG LEU 10 HG LEU 10 1.487 -3.042 -6.664
68 HD11 LEU 10 1HD1 LEU 10 3.605 -2.751 -8.230
69 HD12 LEU 10 2HD1 LEU 10 2.850 -4.321 -7.961
70 HD13 LEU 10 3HD1 LEU 10 4.305 -3.878 -7.068
71 HD21 LEU 10 3HD2 LEU 10 2.115 -3.214 -4.314
72 HD22 LEU 10 1HD2 LEU 10 3.794 -3.496 -4.773
73 HD23 LEU 10 2HD2 LEU 10 2.556 -4.679 -5.194
74 H MET 11 H MET 11 3.842 1.423 -5.311
75 HA MET 11 HA MET 11 4.728 2.424 -7.855
76 HB2 MET 11 1HB MET 11 3.260 3.426 -5.590
77 HB3 MET 11 2HB MET 11 4.530 4.560 -6.029
78 HG2 MET 11 1HG MET 11 3.556 5.112 -7.984
79 HG3 MET 11 2HG MET 11 2.925 3.488 -8.254
80 HE1 MET 11 3HE MET 11 0.984 6.742 -8.298
81 HE2 MET 11 1HE MET 11 1.019 7.128 -6.577
82 HE3 MET 11 2HE MET 11 2.527 6.868 -7.452
Start of MODEL 19
1 H1 THR 1 H THR 1 -6.678 3.147 4.789
2 HA THR 1 HA THR 1 -4.478 3.257 4.199
3 HB THR 1 HB THR 1 -4.394 5.349 5.501
4 HG1 THR 1 HG1 THR 1 -2.256 5.372 5.355
5 HG21 THR 1 3HG2 THR 1 -3.074 4.292 7.840
6 HG22 THR 1 1HG2 THR 1 -4.713 3.656 7.702
7 HG23 THR 1 2HG2 THR 1 -4.442 5.399 7.731
8 H GLY 2 H GLY 2 -5.689 0.955 5.620
9 HA2 GLY 2 1HA GLY 2 -3.336 -0.172 6.974
10 HA3 GLY 2 2HA GLY 2 -4.974 -0.803 7.075
11 H LYS 3 H LYS 3 -5.870 -1.542 4.879
12 HA LYS 3 HA LYS 3 -4.129 -3.571 3.893
13 HB2 LYS 3 1HB LYS 3 -5.971 -4.276 2.545
14 HB3 LYS 3 2HB LYS 3 -6.626 -3.769 4.096
15 HG2 LYS 3 1HG LYS 3 -6.857 -1.462 2.772
16 HG3 LYS 3 2HG LYS 3 -6.960 -2.582 1.411
17 HD2 LYS 3 1HD LYS 3 -8.619 -2.935 3.892
18 HD3 LYS 3 2HD LYS 3 -9.147 -1.911 2.553
19 HE2 LYS 3 1HE LYS 3 -10.002 -3.751 1.634
20 HE3 LYS 3 2HE LYS 3 -8.344 -4.266 1.331
21 HZ1 LYS 3 3HZ LYS 3 -8.889 -4.914 3.962
22 HZ2 LYS 3 1HZ LYS 3 -8.737 -5.979 2.656
23 HZ3 LYS 3 2HZ LYS 3 -10.260 -5.383 3.089
24 H ALA 4 H ALA 4 -4.769 -0.329 2.980
25 HA ALA 4 HA ALA 4 -3.822 -0.668 0.256
26 HB1 ALA 4 3HB ALA 4 -5.558 0.912 0.460
27 HB2 ALA 4 1HB ALA 4 -4.778 1.711 1.825
28 HB3 ALA 4 2HB ALA 4 -4.088 1.855 0.207
29 H SER 5 H SER 5 -2.088 -1.205 2.635
30 HA SER 5 HA SER 5 -0.090 0.891 2.534
31 HB2 SER 5 1HB SER 5 -0.703 -0.440 4.625
32 HB3 SER 5 2HB SER 5 0.181 -1.785 3.905
33 HG SER 5 HG SER 5 1.662 -0.731 5.113
34 H GLN 6 H GLN 6 -0.475 -2.444 1.441
35 HA GLN 6 HA GLN 6 2.156 -2.778 0.464
36 HB2 GLN 6 1HB GLN 6 1.289 -4.718 -0.710
37 HB3 GLN 6 2HB GLN 6 0.621 -4.657 0.916
38 HG2 GLN 6 1HG GLN 6 -1.322 -3.367 -0.350
39 HG3 GLN 6 2HG GLN 6 -0.716 -4.320 -1.702
40 HE21 GLN 6 2HE2 GLN 6 -0.272 -6.691 -1.021
41 HE22 GLN 6 1HE2 GLN 6 -1.555 -7.452 -0.151
42 H PHE 7 H PHE 7 -0.654 -1.209 -0.810
43 HA PHE 7 HA PHE 7 0.015 -1.248 -3.550
44 HB2 PHE 7 1HB PHE 7 -1.907 0.145 -1.832
45 HB3 PHE 7 2HB PHE 7 -1.381 1.102 -3.213
46 HD1 PHE 7 HD2 PHE 7 -2.721 -2.249 -2.320
47 HD2 PHE 7 HD1 PHE 7 -2.365 0.786 -5.283
48 HE1 PHE 7 HE2 PHE 7 -4.289 -3.480 -3.763
49 HE2 PHE 7 HE1 PHE 7 -3.934 -0.439 -6.730
50 HZ PHE 7 HZ PHE 7 -4.897 -2.575 -5.971
51 H PHE 8 H PHE 8 0.992 0.802 -0.891
52 HA PHE 8 HA PHE 8 2.126 2.889 -2.435
53 HB2 PHE 8 1HB PHE 8 2.330 2.001 0.412
54 HB3 PHE 8 2HB PHE 8 3.509 3.158 -0.198
55 HD1 PHE 8 HD2 PHE 8 2.724 5.345 -1.099
56 HD2 PHE 8 HD1 PHE 8 0.126 2.651 0.928
57 HE1 PHE 8 HE2 PHE 8 1.120 7.173 -0.733
58 HE2 PHE 8 HE1 PHE 8 -1.484 4.475 1.296
59 HZ PHE 8 HZ PHE 8 -0.987 6.740 0.467
60 H GLY 9 H GLY 9 3.265 -0.242 -1.431
61 HA2 GLY 9 1HA GLY 9 6.042 0.273 -1.914
62 HA3 GLY 9 2HA GLY 9 5.300 -1.302 -1.681
63 H LEU 10 H LEU 10 3.354 -0.638 -3.897
64 HA LEU 10 HA LEU 10 4.825 -1.858 -5.998
65 HB2 LEU 10 1HB LEU 10 2.245 -1.795 -5.426
66 HB3 LEU 10 2HB LEU 10 2.273 -0.429 -6.538
67 HG LEU 10 HG LEU 10 3.352 -2.019 -8.211
68 HD11 LEU 10 1HD1 LEU 10 3.948 -4.013 -7.433
69 HD12 LEU 10 2HD1 LEU 10 2.231 -4.410 -7.371
70 HD13 LEU 10 3HD1 LEU 10 3.041 -3.779 -5.939
71 HD21 LEU 10 3HD2 LEU 10 0.852 -1.263 -7.940
72 HD22 LEU 10 1HD2 LEU 10 0.610 -2.961 -7.528
73 HD23 LEU 10 2HD2 LEU 10 1.296 -2.523 -9.092
74 H MET 11 H MET 11 3.856 1.448 -5.293
75 HA MET 11 HA MET 11 4.564 2.547 -7.807
76 HB2 MET 11 1HB MET 11 3.147 3.537 -5.833
77 HB3 MET 11 2HB MET 11 4.701 4.144 -5.277
78 HG2 MET 11 1HG MET 11 4.778 5.734 -6.841
79 HG3 MET 11 2HG MET 11 4.179 4.658 -8.101
80 HE1 MET 11 3HE MET 11 2.879 7.870 -5.916
81 HE2 MET 11 1HE MET 11 3.878 7.644 -7.352
82 HE3 MET 11 2HE MET 11 2.188 8.119 -7.520
Start of MODEL 20
1 H1 THR 1 H THR 1 -6.435 2.832 5.027
2 HA THR 1 HA THR 1 -3.661 3.587 4.430
3 HB THR 1 HB THR 1 -4.233 3.658 7.239
4 HG1 THR 1 HG1 THR 1 -6.108 4.664 7.322
5 HG21 THR 1 3HG2 THR 1 -3.791 6.123 6.840
6 HG22 THR 1 1HG2 THR 1 -3.615 5.721 5.133
7 HG23 THR 1 2HG2 THR 1 -2.521 5.016 6.322
8 H GLY 2 H GLY 2 -5.621 1.098 5.874
9 HA2 GLY 2 1HA GLY 2 -3.337 -0.225 7.095
10 HA3 GLY 2 2HA GLY 2 -5.007 -0.772 7.137
11 H LYS 3 H LYS 3 -5.873 -1.466 4.926
12 HA LYS 3 HA LYS 3 -4.159 -3.536 3.948
13 HB2 LYS 3 1HB LYS 3 -6.035 -4.094 2.466
14 HB3 LYS 3 2HB LYS 3 -6.567 -3.885 4.129
15 HG2 LYS 3 1HG LYS 3 -7.767 -2.013 3.660
16 HG3 LYS 3 2HG LYS 3 -6.703 -1.527 2.339
17 HD2 LYS 3 1HD LYS 3 -7.888 -3.982 1.596
18 HD3 LYS 3 2HD LYS 3 -9.177 -2.951 2.223
19 HE2 LYS 3 1HE LYS 3 -8.021 -1.141 0.710
20 HE3 LYS 3 2HE LYS 3 -7.395 -2.556 -0.136
21 HZ1 LYS 3 3HZ LYS 3 -10.108 -2.986 0.279
22 HZ2 LYS 3 1HZ LYS 3 -9.322 -2.689 -1.188
23 HZ3 LYS 3 2HZ LYS 3 -9.959 -1.402 -0.294
24 H ALA 4 H ALA 4 -4.781 -0.287 3.046
25 HA ALA 4 HA ALA 4 -3.854 -0.628 0.314
26 HB1 ALA 4 3HB ALA 4 -5.016 1.225 -0.050
27 HB2 ALA 4 1HB ALA 4 -5.442 1.272 1.661
28 HB3 ALA 4 2HB ALA 4 -4.005 2.118 1.086
29 H SER 5 H SER 5 -2.109 -1.183 2.680
30 HA SER 5 HA SER 5 -0.096 0.899 2.570
31 HB2 SER 5 1HB SER 5 -0.296 -0.021 4.722
32 HB3 SER 5 2HB SER 5 -0.381 -1.673 4.107
33 HG SER 5 HG SER 5 1.713 -1.772 4.168
34 H GLN 6 H GLN 6 -0.513 -2.430 1.472
35 HA GLN 6 HA GLN 6 2.107 -2.785 0.478
36 HB2 GLN 6 1HB GLN 6 1.060 -4.636 -0.870
37 HB3 GLN 6 2HB GLN 6 0.779 -4.725 0.863
38 HG2 GLN 6 1HG GLN 6 -1.409 -4.727 0.559
39 HG3 GLN 6 2HG GLN 6 -1.324 -3.231 -0.370
40 HE21 GLN 6 2HE2 GLN 6 -1.746 -6.613 -0.470
41 HE22 GLN 6 1HE2 GLN 6 -1.929 -6.773 -2.180
42 H PHE 7 H PHE 7 -0.694 -1.186 -0.776
43 HA PHE 7 HA PHE 7 -0.039 -1.221 -3.519
44 HB2 PHE 7 1HB PHE 7 -2.276 -0.633 -2.769
45 HB3 PHE 7 2HB PHE 7 -1.651 0.778 -1.920
46 HD1 PHE 7 HD1 PHE 7 -1.282 -0.626 -5.363
47 HD2 PHE 7 HD2 PHE 7 -2.209 2.747 -2.937
48 HE1 PHE 7 HE1 PHE 7 -1.615 0.733 -7.386
49 HE2 PHE 7 HE2 PHE 7 -2.544 4.111 -4.956
50 HZ PHE 7 HZ PHE 7 -2.249 3.105 -7.185
51 H PHE 8 H PHE 8 0.968 0.811 -0.857
52 HA PHE 8 HA PHE 8 2.112 2.893 -2.398
53 HB2 PHE 8 1HB PHE 8 2.081 2.077 0.425
54 HB3 PHE 8 2HB PHE 8 3.552 2.909 -0.067
55 HD1 PHE 8 HD1 PHE 8 3.082 5.075 -1.561
56 HD2 PHE 8 HD2 PHE 8 0.371 3.360 1.236
57 HE1 PHE 8 HE1 PHE 8 1.927 7.239 -1.359
58 HE2 PHE 8 HE2 PHE 8 -0.789 5.520 1.442
59 HZ PHE 8 HZ PHE 8 -0.012 7.463 0.143
60 H GLY 9 H GLY 9 3.230 -0.252 -1.412
61 HA2 GLY 9 1HA GLY 9 6.009 0.242 -1.908
62 HA3 GLY 9 2HA GLY 9 5.254 -1.328 -1.677
63 H LEU 10 H LEU 10 3.303 -0.639 -3.880
64 HA LEU 10 HA LEU 10 4.751 -1.863 -5.994
65 HB2 LEU 10 1HB LEU 10 2.395 -2.256 -5.763
66 HB3 LEU 10 2HB LEU 10 2.050 -0.534 -5.914
67 HG LEU 10 HG LEU 10 3.380 -1.198 -8.270
68 HD11 LEU 10 1HD1 LEU 10 2.463 -3.147 -9.130
69 HD12 LEU 10 2HD1 LEU 10 1.203 -3.217 -7.899
70 HD13 LEU 10 3HD1 LEU 10 2.872 -3.599 -7.476
71 HD21 LEU 10 3HD2 LEU 10 1.561 0.392 -8.061
72 HD22 LEU 10 1HD2 LEU 10 0.432 -0.914 -7.696
73 HD23 LEU 10 2HD2 LEU 10 1.176 -0.812 -9.292
74 H MET 11 H MET 11 3.815 1.448 -5.271
75 HA MET 11 HA MET 11 4.770 2.447 -7.810
76 HB2 MET 11 1HB MET 11 2.883 3.379 -6.186
77 HB3 MET 11 2HB MET 11 4.243 4.262 -5.505
78 HG2 MET 11 1HG MET 11 4.499 5.569 -7.340
79 HG3 MET 11 2HG MET 11 3.919 4.325 -8.445
80 HE1 MET 11 3HE MET 11 1.600 7.507 -6.209
81 HE2 MET 11 1HE MET 11 1.875 6.077 -5.214
82 HE3 MET 11 2HE MET 11 3.244 6.940 -5.914