Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
597816 | 2n0v RC | 25537 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HT1 SER 1 4.373 1.596 -6.191
2 H2 SER 1 HT2 SER 1 2.929 2.186 -6.863
3 H3 SER 1 HT3 SER 1 2.929 1.507 -5.306
4 HA SER 1 HA SER 1 4.156 4.081 -6.146
5 HB2 SER 1 HB2 SER 1 1.607 3.471 -5.511
6 HB3 SER 1 HB1 SER 1 2.251 3.687 -3.886
7 HG SER 1 HG SER 1 3.077 5.731 -4.647
8 H VAL 2 HN VAL 2 5.122 5.236 -4.248
9 HA VAL 2 HA VAL 2 7.083 3.678 -2.878
10 HB VAL 2 HB VAL 2 5.915 6.412 -2.260
11 HG11 VAL 2 HG11 VAL 2 8.757 5.941 -1.721
12 HG12 VAL 2 HG12 VAL 2 7.704 4.913 -0.750
13 HG13 VAL 2 HG13 VAL 2 7.524 6.665 -0.688
14 HG21 VAL 2 HG21 VAL 2 6.702 6.709 -4.406
15 HG22 VAL 2 HG22 VAL 2 7.838 5.366 -4.287
16 HG23 VAL 2 HG23 VAL 2 8.224 6.915 -3.538
17 H ALA 3 HN ALA 3 3.757 4.376 -2.105
18 HA ALA 3 HA ALA 3 3.725 4.149 0.713
19 HB1 ALA 3 HB1 ALA 3 1.759 3.107 -1.353
20 HB2 ALA 3 HB2 ALA 3 1.823 4.762 -0.747
21 HB3 ALA 3 HB3 ALA 3 1.385 3.442 0.337
22 H GLY 4 HN GLY 4 4.480 1.745 -1.670
23 HA2 GLY 4 HA2 GLY 4 3.750 -0.580 -0.100
24 HA3 GLY 4 HA1 GLY 4 4.813 -0.581 -1.508
25 H ARG 5 HN ARG 5 6.634 1.426 -0.411
26 HA ARG 5 HA ARG 5 8.184 -0.376 1.363
27 HB2 ARG 5 HB2 ARG 5 8.750 2.161 -0.189
28 HB3 ARG 5 HB1 ARG 5 9.943 1.417 0.877
29 HG2 ARG 5 HG2 ARG 5 9.824 -0.670 -0.406
30 HG3 ARG 5 HG1 ARG 5 8.582 0.025 -1.450
31 HD2 ARG 5 HD2 ARG 5 10.681 0.251 -2.627
32 HD3 ARG 5 HD1 ARG 5 10.279 1.867 -2.009
33 HE ARG 5 HE ARG 5 11.703 0.716 0.067
34 HH11 ARG 5 HH21 ARG 5 12.262 1.219 -3.323
35 HH12 ARG 5 HH22 ARG 5 13.980 1.338 -3.141
36 HH21 ARG 5 HH11 ARG 5 13.935 0.874 0.290
37 HH22 ARG 5 HH12 ARG 5 14.923 1.144 -1.107
38 H ALA 6 HN ALA 6 5.979 2.157 1.747
39 HA ALA 6 HA ALA 6 7.062 3.841 3.732
40 HB1 ALA 6 HB1 ALA 6 4.273 2.663 3.463
41 HB2 ALA 6 HB2 ALA 6 4.864 4.105 2.639
42 HB3 ALA 6 HB3 ALA 6 4.677 4.106 4.392
43 H GLN 7 HN GLN 7 5.914 0.524 3.954
44 HA GLN 7 HA GLN 7 6.480 0.514 6.896
45 HB2 GLN 7 HB2 GLN 7 4.188 -0.077 6.133
46 HB3 GLN 7 HB1 GLN 7 4.867 -1.368 5.139
47 HG2 GLN 7 HG2 GLN 7 5.869 -2.352 7.228
48 HG3 GLN 7 HG1 GLN 7 4.975 -1.149 8.158
49 HE21 GLN 7 HE21 GLN 7 4.652 -4.190 7.990
50 HE22 GLN 7 HE22 GLN 7 3.014 -4.418 7.607
51 H GLY 8 HN GLY 8 7.339 -0.849 3.785
52 HA2 GLY 8 HA2 GLY 8 9.549 -1.817 3.431
53 HA3 GLY 8 HA1 GLY 8 9.540 -2.357 5.111
54 H MET 9 HN MET 9 7.112 -2.710 2.516
55 HA MET 9 HA MET 9 7.382 -5.683 2.790
56 HB2 MET 9 HB2 MET 9 5.246 -3.947 3.584
57 HB3 MET 9 HB1 MET 9 4.677 -4.919 2.226
58 HG2 MET 9 HG2 MET 9 6.191 -6.258 4.443
59 HG3 MET 9 HG1 MET 9 4.490 -5.859 4.683
60 HE1 MET 9 HE1 MET 9 4.806 -8.860 4.953
61 HE2 MET 9 HE2 MET 9 6.436 -8.475 4.409
62 HE3 MET 9 HE3 MET 9 5.506 -9.716 3.573
63 HN1 NH2 10 H1 NH2 10 6.685 -6.850 0.791
64 HN2 NH2 10 H2 NH2 10 6.650 -6.047 -0.704
Start of MODEL 2
1 H1 SER 1 HT1 SER 1 4.285 1.831 -6.784
2 H2 SER 1 HT2 SER 1 5.148 1.258 -5.437
3 H3 SER 1 HT3 SER 1 5.807 2.482 -6.413
4 HA SER 1 HA SER 1 4.153 4.050 -5.700
5 HB2 SER 1 HB2 SER 1 3.032 1.767 -4.062
6 HB3 SER 1 HB1 SER 1 2.282 3.326 -4.393
7 HG SER 1 HG SER 1 1.438 1.689 -5.736
8 H VAL 2 HN VAL 2 4.259 5.132 -3.575
9 HA VAL 2 HA VAL 2 6.740 4.591 -2.165
10 HB VAL 2 HB VAL 2 5.711 6.830 -2.611
11 HG11 VAL 2 HG11 VAL 2 3.767 7.562 -1.464
12 HG12 VAL 2 HG12 VAL 2 3.806 6.191 -0.356
13 HG13 VAL 2 HG13 VAL 2 3.355 5.948 -2.043
14 HG21 VAL 2 HG21 VAL 2 5.842 7.488 -0.006
15 HG22 VAL 2 HG22 VAL 2 7.279 7.090 -0.947
16 HG23 VAL 2 HG23 VAL 2 6.537 5.869 0.086
17 H ALA 3 HN ALA 3 3.303 4.032 -1.493
18 HA ALA 3 HA ALA 3 3.504 3.312 1.261
19 HB1 ALA 3 HB1 ALA 3 1.652 2.790 -1.039
20 HB2 ALA 3 HB2 ALA 3 1.340 3.646 0.471
21 HB3 ALA 3 HB3 ALA 3 1.410 1.884 0.455
22 H GLY 4 HN GLY 4 4.345 1.572 -1.661
23 HA2 GLY 4 HA2 GLY 4 4.262 -1.097 -0.652
24 HA3 GLY 4 HA1 GLY 4 5.296 -0.552 -1.973
25 H ARG 5 HN ARG 5 6.777 1.404 -0.507
26 HA ARG 5 HA ARG 5 8.390 -0.414 1.242
27 HB2 ARG 5 HB2 ARG 5 9.029 1.949 -0.529
28 HB3 ARG 5 HB1 ARG 5 10.191 1.310 0.635
29 HG2 ARG 5 HG2 ARG 5 10.787 -0.000 -1.151
30 HG3 ARG 5 HG1 ARG 5 9.463 -0.996 -0.548
31 HD2 ARG 5 HD2 ARG 5 8.295 -0.666 -2.458
32 HD3 ARG 5 HD1 ARG 5 8.422 1.094 -2.270
33 HE ARG 5 HE ARG 5 10.267 1.062 -3.740
34 HH11 ARG 5 HH21 ARG 5 9.634 -2.104 -2.468
35 HH12 ARG 5 HH22 ARG 5 10.817 -2.872 -3.472
36 HH21 ARG 5 HH11 ARG 5 11.803 0.053 -5.040
37 HH22 ARG 5 HH12 ARG 5 12.039 -1.658 -4.920
38 H ALA 6 HN ALA 6 6.246 2.192 1.412
39 HA ALA 6 HA ALA 6 7.367 4.007 3.256
40 HB1 ALA 6 HB1 ALA 6 5.136 4.113 2.097
41 HB2 ALA 6 HB2 ALA 6 5.034 4.466 3.822
42 HB3 ALA 6 HB3 ALA 6 4.544 2.885 3.215
43 H GLN 7 HN GLN 7 5.950 0.807 3.783
44 HA GLN 7 HA GLN 7 6.741 0.955 6.668
45 HB2 GLN 7 HB2 GLN 7 5.041 -0.853 6.920
46 HB3 GLN 7 HB1 GLN 7 4.348 0.610 6.221
47 HG2 GLN 7 HG2 GLN 7 4.286 -0.321 4.045
48 HG3 GLN 7 HG1 GLN 7 5.401 -1.618 4.476
49 HE21 GLN 7 HE21 GLN 7 2.042 -0.510 4.802
50 HE22 GLN 7 HE22 GLN 7 1.425 -1.993 5.351
51 H GLY 8 HN GLY 8 7.287 -0.630 3.621
52 HA2 GLY 8 HA2 GLY 8 9.322 -1.904 3.238
53 HA3 GLY 8 HA1 GLY 8 9.306 -2.379 4.936
54 H MET 9 HN MET 9 6.802 -2.513 2.388
55 HA MET 9 HA MET 9 6.559 -5.453 2.954
56 HB2 MET 9 HB2 MET 9 4.134 -5.105 2.510
57 HB3 MET 9 HB1 MET 9 4.701 -4.109 3.851
58 HG2 MET 9 HG2 MET 9 4.811 -2.152 2.452
59 HG3 MET 9 HG1 MET 9 4.526 -3.108 0.998
60 HE1 MET 9 HE1 MET 9 1.302 -4.141 0.684
61 HE2 MET 9 HE2 MET 9 2.884 -3.677 0.063
62 HE3 MET 9 HE3 MET 9 1.574 -2.498 0.086
63 HN1 NH2 10 H1 NH2 10 4.776 -6.046 0.825
64 HN2 NH2 10 H2 NH2 10 5.556 -5.777 -0.658
Start of MODEL 3
1 H1 SER 1 HT1 SER 1 4.821 0.859 -5.943
2 H2 SER 1 HT2 SER 1 3.260 1.300 -6.451
3 H3 SER 1 HT3 SER 1 3.559 0.955 -4.814
4 HA SER 1 HA SER 1 4.789 3.228 -6.290
5 HB2 SER 1 HB2 SER 1 3.052 4.559 -5.308
6 HB3 SER 1 HB1 SER 1 2.247 3.163 -6.018
7 HG SER 1 HG SER 1 2.228 2.212 -3.956
8 H VAL 2 HN VAL 2 5.106 4.933 -4.291
9 HA VAL 2 HA VAL 2 7.207 3.847 -2.656
10 HB VAL 2 HB VAL 2 5.564 6.391 -2.438
11 HG11 VAL 2 HG11 VAL 2 6.872 5.789 -0.383
12 HG12 VAL 2 HG12 VAL 2 7.431 7.273 -1.154
13 HG13 VAL 2 HG13 VAL 2 8.335 5.775 -1.369
14 HG21 VAL 2 HG21 VAL 2 8.040 5.607 -3.980
15 HG22 VAL 2 HG22 VAL 2 7.702 7.293 -3.585
16 HG23 VAL 2 HG23 VAL 2 6.572 6.377 -4.583
17 H ALA 3 HN ALA 3 3.751 4.262 -2.163
18 HA ALA 3 HA ALA 3 3.631 4.088 0.680
19 HB1 ALA 3 HB1 ALA 3 1.859 4.560 -1.198
20 HB2 ALA 3 HB2 ALA 3 1.337 3.769 0.289
21 HB3 ALA 3 HB3 ALA 3 1.624 2.812 -1.164
22 H GLY 4 HN GLY 4 4.569 1.730 -1.652
23 HA2 GLY 4 HA2 GLY 4 3.768 -0.609 -0.096
24 HA3 GLY 4 HA1 GLY 4 4.814 -0.619 -1.517
25 H ARG 5 HN ARG 5 6.611 1.438 -0.371
26 HA ARG 5 HA ARG 5 8.191 -0.390 1.359
27 HB2 ARG 5 HB2 ARG 5 8.785 2.184 -0.128
28 HB3 ARG 5 HB1 ARG 5 9.980 1.308 0.829
29 HG2 ARG 5 HG2 ARG 5 10.216 -0.332 -0.731
30 HG3 ARG 5 HG1 ARG 5 8.493 -0.358 -1.104
31 HD2 ARG 5 HD2 ARG 5 8.976 0.760 -3.017
32 HD3 ARG 5 HD1 ARG 5 9.435 2.153 -2.016
33 HE ARG 5 HE ARG 5 11.643 0.491 -1.861
34 HH11 ARG 5 HH21 ARG 5 9.778 1.875 -4.443
35 HH12 ARG 5 HH22 ARG 5 11.120 1.941 -5.533
36 HH21 ARG 5 HH11 ARG 5 13.379 0.583 -3.287
37 HH22 ARG 5 HH12 ARG 5 13.149 1.213 -4.884
38 H ALA 6 HN ALA 6 6.038 2.213 1.730
39 HA ALA 6 HA ALA 6 7.150 3.862 3.718
40 HB1 ALA 6 HB1 ALA 6 4.747 3.557 2.479
41 HB2 ALA 6 HB2 ALA 6 4.976 4.585 3.894
42 HB3 ALA 6 HB3 ALA 6 4.346 2.949 4.085
43 H GLN 7 HN GLN 7 5.924 0.572 3.952
44 HA GLN 7 HA GLN 7 6.523 0.557 6.889
45 HB2 GLN 7 HB2 GLN 7 4.988 -1.411 6.885
46 HB3 GLN 7 HB1 GLN 7 4.206 0.035 6.248
47 HG2 GLN 7 HG2 GLN 7 4.410 -0.716 3.999
48 HG3 GLN 7 HG1 GLN 7 5.565 -1.972 4.443
49 HE21 GLN 7 HE21 GLN 7 4.383 -3.296 6.535
50 HE22 GLN 7 HE22 GLN 7 2.868 -3.919 6.089
51 H GLY 8 HN GLY 8 7.350 -0.788 3.776
52 HA2 GLY 8 HA2 GLY 8 9.555 -1.809 3.469
53 HA3 GLY 8 HA1 GLY 8 9.433 -2.458 5.105
54 H MET 9 HN MET 9 7.131 -2.514 2.374
55 HA MET 9 HA MET 9 7.060 -5.502 2.646
56 HB2 MET 9 HB2 MET 9 5.045 -3.357 2.487
57 HB3 MET 9 HB1 MET 9 4.717 -4.718 1.413
58 HG2 MET 9 HG2 MET 9 5.368 -6.108 3.606
59 HG3 MET 9 HG1 MET 9 4.809 -4.634 4.396
60 HE1 MET 9 HE1 MET 9 4.053 -6.587 1.227
61 HE2 MET 9 HE2 MET 9 2.444 -7.260 1.468
62 HE3 MET 9 HE3 MET 9 3.796 -7.861 2.425
63 HN1 NH2 10 H1 NH2 10 7.400 -6.689 0.709
64 HN2 NH2 10 H2 NH2 10 7.615 -5.981 -0.818
Start of MODEL 4
1 H1 SER 1 HT1 SER 1 3.705 0.199 -5.848
2 H2 SER 1 HT2 SER 1 3.912 0.328 -4.167
3 H3 SER 1 HT3 SER 1 5.251 0.028 -5.169
4 HA SER 1 HA SER 1 5.090 2.212 -6.148
5 HB2 SER 1 HB2 SER 1 3.237 3.680 -5.251
6 HB3 SER 1 HB1 SER 1 2.668 2.300 -6.187
7 HG SER 1 HG SER 1 1.722 1.586 -4.457
8 H VAL 2 HN VAL 2 5.085 4.412 -4.595
9 HA VAL 2 HA VAL 2 7.262 4.088 -2.796
10 HB VAL 2 HB VAL 2 6.584 6.188 -3.913
11 HG11 VAL 2 HG11 VAL 2 4.078 5.660 -3.472
12 HG12 VAL 2 HG12 VAL 2 4.597 7.344 -3.392
13 HG13 VAL 2 HG13 VAL 2 4.346 6.428 -1.907
14 HG21 VAL 2 HG21 VAL 2 7.940 6.277 -1.830
15 HG22 VAL 2 HG22 VAL 2 6.454 6.392 -0.887
16 HG23 VAL 2 HG23 VAL 2 6.898 7.689 -1.996
17 H ALA 3 HN ALA 3 3.753 4.181 -2.188
18 HA ALA 3 HA ALA 3 3.893 4.183 0.682
19 HB1 ALA 3 HB1 ALA 3 1.614 4.138 0.460
20 HB2 ALA 3 HB2 ALA 3 1.657 2.783 -0.668
21 HB3 ALA 3 HB3 ALA 3 1.974 4.420 -1.243
22 H GLY 4 HN GLY 4 4.377 1.685 -1.697
23 HA2 GLY 4 HA2 GLY 4 3.741 -0.605 -0.100
24 HA3 GLY 4 HA1 GLY 4 4.845 -0.606 -1.477
25 H ARG 5 HN ARG 5 6.686 1.340 -0.439
26 HA ARG 5 HA ARG 5 8.161 -0.406 1.439
27 HB2 ARG 5 HB2 ARG 5 8.709 1.953 -0.325
28 HB3 ARG 5 HB1 ARG 5 9.828 1.609 0.995
29 HG2 ARG 5 HG2 ARG 5 9.627 -0.870 0.027
30 HG3 ARG 5 HG1 ARG 5 9.236 0.006 -1.454
31 HD2 ARG 5 HD2 ARG 5 11.602 -0.202 -1.533
32 HD3 ARG 5 HD1 ARG 5 11.356 1.434 -0.889
33 HE ARG 5 HE ARG 5 11.359 -0.460 1.271
34 HH11 ARG 5 HH21 ARG 5 13.443 1.100 -1.024
35 HH12 ARG 5 HH22 ARG 5 14.836 1.008 -0.000
36 HH21 ARG 5 HH11 ARG 5 13.176 -0.576 2.594
37 HH22 ARG 5 HH12 ARG 5 14.686 0.064 2.037
38 H ALA 6 HN ALA 6 5.892 2.039 1.777
39 HA ALA 6 HA ALA 6 6.882 3.831 3.706
40 HB1 ALA 6 HB1 ALA 6 4.172 2.614 4.061
41 HB2 ALA 6 HB2 ALA 6 4.522 3.380 2.513
42 HB3 ALA 6 HB3 ALA 6 4.632 4.315 4.004
43 H GLN 7 HN GLN 7 5.854 0.475 4.055
44 HA GLN 7 HA GLN 7 6.639 0.550 6.947
45 HB2 GLN 7 HB2 GLN 7 5.153 -1.458 7.092
46 HB3 GLN 7 HB1 GLN 7 4.296 -0.028 6.515
47 HG2 GLN 7 HG2 GLN 7 5.535 -1.602 4.361
48 HG3 GLN 7 HG1 GLN 7 4.297 -2.481 5.255
49 HE21 GLN 7 HE21 GLN 7 4.652 -0.518 2.602
50 HE22 GLN 7 HE22 GLN 7 3.105 0.180 2.557
51 H GLY 8 HN GLY 8 7.355 -0.763 3.813
52 HA2 GLY 8 HA2 GLY 8 9.583 -1.743 3.455
53 HA3 GLY 8 HA1 GLY 8 9.463 -2.477 5.055
54 H MET 9 HN MET 9 6.754 -2.448 2.826
55 HA MET 9 HA MET 9 7.231 -5.044 1.644
56 HB2 MET 9 HB2 MET 9 5.588 -6.288 3.048
57 HB3 MET 9 HB1 MET 9 6.965 -5.722 3.992
58 HG2 MET 9 HG2 MET 9 5.697 -3.870 4.873
59 HG3 MET 9 HG1 MET 9 4.358 -4.195 3.772
60 HE1 MET 9 HE1 MET 9 4.845 -4.045 7.166
61 HE2 MET 9 HE2 MET 9 3.449 -5.018 7.618
62 HE3 MET 9 HE3 MET 9 3.298 -3.814 6.341
63 HN1 NH2 10 H1 NH2 10 5.588 -5.465 0.046
64 HN2 NH2 10 H2 NH2 10 4.248 -4.451 -0.193
Start of MODEL 5
1 H1 SER 1 HT1 SER 1 7.242 0.456 -4.862
2 H2 SER 1 HT2 SER 1 5.868 0.126 -5.806
3 H3 SER 1 HT3 SER 1 5.760 0.114 -4.110
4 HA SER 1 HA SER 1 6.402 2.528 -5.731
5 HB2 SER 1 HB2 SER 1 4.032 3.096 -5.203
6 HB3 SER 1 HB1 SER 1 4.160 1.635 -6.178
7 HG SER 1 HG SER 1 3.170 0.657 -4.616
8 H VAL 2 HN VAL 2 5.759 4.473 -4.246
9 HA VAL 2 HA VAL 2 7.395 4.482 -1.914
10 HB VAL 2 HB VAL 2 6.711 6.458 -3.241
11 HG11 VAL 2 HG11 VAL 2 4.299 5.525 -3.470
12 HG12 VAL 2 HG12 VAL 2 4.496 7.268 -3.293
13 HG13 VAL 2 HG13 VAL 2 4.011 6.290 -1.908
14 HG21 VAL 2 HG21 VAL 2 5.556 6.873 -0.494
15 HG22 VAL 2 HG22 VAL 2 6.610 7.935 -1.427
16 HG23 VAL 2 HG23 VAL 2 7.266 6.481 -0.676
17 H ALA 3 HN ALA 3 3.899 3.967 -2.309
18 HA ALA 3 HA ALA 3 3.327 3.875 0.539
19 HB1 ALA 3 HB1 ALA 3 1.276 2.571 -0.701
20 HB2 ALA 3 HB2 ALA 3 1.972 3.452 -2.062
21 HB3 ALA 3 HB3 ALA 3 1.416 4.328 -0.637
22 H GLY 4 HN GLY 4 4.707 1.637 -1.695
23 HA2 GLY 4 HA2 GLY 4 3.857 -0.749 -0.191
24 HA3 GLY 4 HA1 GLY 4 4.911 -0.736 -1.607
25 H ARG 5 HN ARG 5 6.615 1.404 -0.401
26 HA ARG 5 HA ARG 5 8.226 -0.397 1.341
27 HB2 ARG 5 HB2 ARG 5 9.094 0.697 -0.776
28 HB3 ARG 5 HB1 ARG 5 8.964 2.244 0.060
29 HG2 ARG 5 HG2 ARG 5 10.394 1.188 1.908
30 HG3 ARG 5 HG1 ARG 5 10.730 -0.105 0.758
31 HD2 ARG 5 HD2 ARG 5 11.135 2.271 -0.697
32 HD3 ARG 5 HD1 ARG 5 11.895 2.551 0.883
33 HE ARG 5 HE ARG 5 12.764 0.598 -1.094
34 HH11 ARG 5 HH21 ARG 5 12.529 1.330 2.291
35 HH12 ARG 5 HH22 ARG 5 13.875 0.332 2.721
36 HH21 ARG 5 HH11 ARG 5 14.511 -0.699 -0.523
37 HH22 ARG 5 HH12 ARG 5 14.992 -0.812 1.137
38 H ALA 6 HN ALA 6 6.035 2.178 1.661
39 HA ALA 6 HA ALA 6 7.106 3.902 3.603
40 HB1 ALA 6 HB1 ALA 6 4.967 4.510 3.038
41 HB2 ALA 6 HB2 ALA 6 4.529 3.532 4.438
42 HB3 ALA 6 HB3 ALA 6 4.451 2.838 2.819
43 H GLN 7 HN GLN 7 5.957 0.593 3.923
44 HA GLN 7 HA GLN 7 6.735 0.603 6.817
45 HB2 GLN 7 HB2 GLN 7 5.166 -1.345 6.937
46 HB3 GLN 7 HB1 GLN 7 4.368 0.124 6.375
47 HG2 GLN 7 HG2 GLN 7 4.227 -0.632 4.170
48 HG3 GLN 7 HG1 GLN 7 5.558 -1.772 4.371
49 HE21 GLN 7 HE21 GLN 7 2.139 -1.485 4.398
50 HE22 GLN 7 HE22 GLN 7 1.787 -3.009 5.058
51 H GLY 8 HN GLY 8 7.459 -0.621 3.675
52 HA2 GLY 8 HA2 GLY 8 9.405 -1.845 3.070
53 HA3 GLY 8 HA1 GLY 8 9.666 -2.227 4.773
54 H MET 9 HN MET 9 6.978 -2.784 2.477
55 HA MET 9 HA MET 9 6.101 -5.240 3.598
56 HB2 MET 9 HB2 MET 9 5.974 -3.945 0.875
57 HB3 MET 9 HB1 MET 9 5.232 -5.520 1.157
58 HG2 MET 9 HG2 MET 9 3.735 -4.651 2.777
59 HG3 MET 9 HG1 MET 9 4.667 -3.165 2.959
60 HE1 MET 9 HE1 MET 9 1.815 -4.383 2.334
61 HE2 MET 9 HE2 MET 9 1.055 -3.858 0.834
62 HE3 MET 9 HE3 MET 9 1.290 -2.704 2.143
63 HN1 NH2 10 H1 NH2 10 6.392 -7.475 2.583
64 HN2 NH2 10 H2 NH2 10 7.903 -7.880 1.922
Start of MODEL 6
1 H1 SER 1 HT1 SER 1 6.420 -0.211 -6.071
2 H2 SER 1 HT2 SER 1 6.472 -0.275 -4.374
3 H3 SER 1 HT3 SER 1 7.739 0.456 -5.239
4 HA SER 1 HA SER 1 6.209 2.194 -6.020
5 HB2 SER 1 HB2 SER 1 4.380 0.376 -4.468
6 HB3 SER 1 HB1 SER 1 3.967 2.078 -4.659
7 HG SER 1 HG SER 1 3.141 1.274 -6.456
8 H VAL 2 HN VAL 2 5.292 3.926 -4.355
9 HA VAL 2 HA VAL 2 7.344 4.301 -2.311
10 HB VAL 2 HB VAL 2 4.800 5.815 -3.000
11 HG11 VAL 2 HG11 VAL 2 7.206 7.056 -1.716
12 HG12 VAL 2 HG12 VAL 2 6.094 6.138 -0.701
13 HG13 VAL 2 HG13 VAL 2 5.511 7.532 -1.611
14 HG21 VAL 2 HG21 VAL 2 6.778 5.442 -4.721
15 HG22 VAL 2 HG22 VAL 2 7.579 6.672 -3.745
16 HG23 VAL 2 HG23 VAL 2 6.048 7.038 -4.541
17 H ALA 3 HN ALA 3 3.762 4.176 -2.127
18 HA ALA 3 HA ALA 3 3.581 3.942 0.702
19 HB1 ALA 3 HB1 ALA 3 1.297 3.262 0.219
20 HB2 ALA 3 HB2 ALA 3 1.751 2.761 -1.411
21 HB3 ALA 3 HB3 ALA 3 1.772 4.470 -0.975
22 H GLY 4 HN GLY 4 4.555 1.625 -1.689
23 HA2 GLY 4 HA2 GLY 4 3.868 -0.757 -0.175
24 HA3 GLY 4 HA1 GLY 4 4.959 -0.694 -1.561
25 H ARG 5 HN ARG 5 6.672 1.373 -0.385
26 HA ARG 5 HA ARG 5 8.214 -0.397 1.443
27 HB2 ARG 5 HB2 ARG 5 8.815 2.084 -0.181
28 HB3 ARG 5 HB1 ARG 5 9.985 1.372 0.930
29 HG2 ARG 5 HG2 ARG 5 9.713 -0.810 -0.295
30 HG3 ARG 5 HG1 ARG 5 8.722 0.041 -1.481
31 HD2 ARG 5 HD2 ARG 5 10.809 0.226 -2.501
32 HD3 ARG 5 HD1 ARG 5 10.839 1.691 -1.500
33 HE ARG 5 HE ARG 5 11.737 -0.537 0.063
34 HH11 ARG 5 HH21 ARG 5 12.693 1.528 -2.557
35 HH12 ARG 5 HH22 ARG 5 14.383 1.360 -2.229
36 HH21 ARG 5 HH11 ARG 5 13.937 -0.750 0.482
37 HH22 ARG 5 HH12 ARG 5 15.086 0.077 -0.518
38 H ALA 6 HN ALA 6 5.963 2.079 1.742
39 HA ALA 6 HA ALA 6 6.988 3.888 3.641
40 HB1 ALA 6 HB1 ALA 6 4.638 3.525 2.452
41 HB2 ALA 6 HB2 ALA 6 4.735 4.392 3.986
42 HB3 ALA 6 HB3 ALA 6 4.251 2.696 3.960
43 H GLN 7 HN GLN 7 5.988 0.538 4.021
44 HA GLN 7 HA GLN 7 6.715 0.663 6.927
45 HB2 GLN 7 HB2 GLN 7 5.224 -1.348 7.081
46 HB3 GLN 7 HB1 GLN 7 4.378 0.084 6.496
47 HG2 GLN 7 HG2 GLN 7 4.503 -0.686 4.213
48 HG3 GLN 7 HG1 GLN 7 5.571 -2.015 4.666
49 HE21 GLN 7 HE21 GLN 7 2.849 -2.181 3.409
50 HE22 GLN 7 HE22 GLN 7 1.911 -3.110 4.476
51 H GLY 8 HN GLY 8 7.305 -0.877 3.829
52 HA2 GLY 8 HA2 GLY 8 9.605 -1.790 3.516
53 HA3 GLY 8 HA1 GLY 8 9.459 -2.501 5.122
54 H MET 9 HN MET 9 6.828 -2.506 2.780
55 HA MET 9 HA MET 9 7.339 -5.135 1.695
56 HB2 MET 9 HB2 MET 9 5.603 -6.323 3.050
57 HB3 MET 9 HB1 MET 9 6.963 -5.775 4.028
58 HG2 MET 9 HG2 MET 9 4.940 -3.704 3.842
59 HG3 MET 9 HG1 MET 9 4.240 -5.201 4.451
60 HE1 MET 9 HE1 MET 9 5.491 -5.739 7.836
61 HE2 MET 9 HE2 MET 9 5.470 -6.664 6.336
62 HE3 MET 9 HE3 MET 9 4.090 -5.656 6.760
63 HN1 NH2 10 H1 NH2 10 5.795 -5.567 0.015
64 HN2 NH2 10 H2 NH2 10 4.465 -4.563 -0.307
Start of MODEL 7
1 H1 SER 1 HT1 SER 1 5.335 -0.142 -4.596
2 H2 SER 1 HT2 SER 1 6.884 0.271 -5.158
3 H3 SER 1 HT3 SER 1 5.621 0.005 -6.261
4 HA SER 1 HA SER 1 5.896 2.353 -6.111
5 HB2 SER 1 HB2 SER 1 3.608 1.027 -5.871
6 HB3 SER 1 HB1 SER 1 3.593 1.775 -4.276
7 HG SER 1 HG SER 1 2.940 3.503 -5.261
8 H VAL 2 HN VAL 2 5.234 4.213 -4.399
9 HA VAL 2 HA VAL 2 7.301 4.248 -2.386
10 HB VAL 2 HB VAL 2 4.829 5.961 -2.808
11 HG11 VAL 2 HG11 VAL 2 6.612 7.641 -1.738
12 HG12 VAL 2 HG12 VAL 2 7.202 6.151 -1.004
13 HG13 VAL 2 HG13 VAL 2 5.540 6.671 -0.729
14 HG21 VAL 2 HG21 VAL 2 7.536 5.831 -4.062
15 HG22 VAL 2 HG22 VAL 2 6.845 7.429 -3.780
16 HG23 VAL 2 HG23 VAL 2 5.986 6.260 -4.784
17 H ALA 3 HN ALA 3 3.726 4.180 -2.081
18 HA ALA 3 HA ALA 3 3.581 3.868 0.732
19 HB1 ALA 3 HB1 ALA 3 1.896 3.328 -1.660
20 HB2 ALA 3 HB2 ALA 3 1.530 4.284 -0.224
21 HB3 ALA 3 HB3 ALA 3 1.407 2.525 -0.168
22 H GLY 4 HN GLY 4 4.583 1.612 -1.712
23 HA2 GLY 4 HA2 GLY 4 3.990 -0.814 -0.246
24 HA3 GLY 4 HA1 GLY 4 5.096 -0.683 -1.615
25 H ARG 5 HN ARG 5 6.742 1.396 -0.408
26 HA ARG 5 HA ARG 5 8.305 -0.342 1.432
27 HB2 ARG 5 HB2 ARG 5 8.829 2.092 -0.266
28 HB3 ARG 5 HB1 ARG 5 9.981 1.598 0.975
29 HG2 ARG 5 HG2 ARG 5 10.074 -0.666 -0.051
30 HG3 ARG 5 HG1 ARG 5 8.997 -0.107 -1.330
31 HD2 ARG 5 HD2 ARG 5 11.011 1.835 -1.261
32 HD3 ARG 5 HD1 ARG 5 11.874 0.297 -1.057
33 HE ARG 5 HE ARG 5 9.840 0.058 -3.092
34 HH11 ARG 5 HH21 ARG 5 13.000 1.337 -2.440
35 HH12 ARG 5 HH22 ARG 5 13.514 1.224 -4.089
36 HH21 ARG 5 HH11 ARG 5 10.517 -0.082 -5.232
37 HH22 ARG 5 HH12 ARG 5 12.116 0.427 -5.663
38 H ALA 6 HN ALA 6 5.952 2.003 1.757
39 HA ALA 6 HA ALA 6 6.878 3.879 3.636
40 HB1 ALA 6 HB1 ALA 6 4.301 2.452 3.071
41 HB2 ALA 6 HB2 ALA 6 4.679 4.169 2.922
42 HB3 ALA 6 HB3 ALA 6 4.397 3.462 4.514
43 H GLN 7 HN GLN 7 5.887 0.511 4.121
44 HA GLN 7 HA GLN 7 6.828 0.679 6.963
45 HB2 GLN 7 HB2 GLN 7 5.327 -1.291 7.269
46 HB3 GLN 7 HB1 GLN 7 4.455 0.112 6.655
47 HG2 GLN 7 HG2 GLN 7 4.345 -0.774 4.460
48 HG3 GLN 7 HG1 GLN 7 5.601 -1.967 4.790
49 HE21 GLN 7 HE21 GLN 7 4.943 -3.528 6.729
50 HE22 GLN 7 HE22 GLN 7 3.343 -4.092 6.695
51 H GLY 8 HN GLY 8 7.312 -0.797 3.848
52 HA2 GLY 8 HA2 GLY 8 9.522 -1.794 3.390
53 HA3 GLY 8 HA1 GLY 8 9.493 -2.467 5.021
54 H MET 9 HN MET 9 6.846 -2.455 2.652
55 HA MET 9 HA MET 9 6.484 -5.352 3.031
56 HB2 MET 9 HB2 MET 9 5.043 -3.019 1.899
57 HB3 MET 9 HB1 MET 9 4.693 -4.567 1.131
58 HG2 MET 9 HG2 MET 9 4.749 -4.533 4.108
59 HG3 MET 9 HG1 MET 9 3.387 -3.727 3.329
60 HE1 MET 9 HE1 MET 9 1.767 -4.694 3.970
61 HE2 MET 9 HE2 MET 9 1.547 -6.393 4.383
62 HE3 MET 9 HE3 MET 9 1.012 -5.800 2.813
63 HN1 NH2 10 H1 NH2 10 7.817 -3.184 0.556
64 HN2 NH2 10 H2 NH2 10 8.227 -4.400 -0.554
Start of MODEL 8
1 H1 SER 1 HT1 SER 1 3.902 0.188 -4.479
2 H2 SER 1 HT2 SER 1 5.184 0.180 -5.594
3 H3 SER 1 HT3 SER 1 3.576 0.216 -6.143
4 HA SER 1 HA SER 1 4.584 2.415 -6.334
5 HB2 SER 1 HB2 SER 1 2.215 2.269 -6.004
6 HB3 SER 1 HB1 SER 1 2.411 1.874 -4.298
7 HG SER 1 HG SER 1 2.001 3.995 -4.257
8 H VAL 2 HN VAL 2 4.715 4.428 -4.626
9 HA VAL 2 HA VAL 2 7.127 4.021 -3.110
10 HB VAL 2 HB VAL 2 5.035 6.221 -3.090
11 HG11 VAL 2 HG11 VAL 2 7.742 5.933 -1.831
12 HG12 VAL 2 HG12 VAL 2 6.287 6.697 -1.190
13 HG13 VAL 2 HG13 VAL 2 7.244 7.517 -2.423
14 HG21 VAL 2 HG21 VAL 2 6.480 5.430 -5.218
15 HG22 VAL 2 HG22 VAL 2 7.679 6.469 -4.447
16 HG23 VAL 2 HG23 VAL 2 6.110 7.127 -4.913
17 H ALA 3 HN ALA 3 3.716 4.447 -2.115
18 HA ALA 3 HA ALA 3 4.117 4.342 0.702
19 HB1 ALA 3 HB1 ALA 3 1.977 4.969 0.171
20 HB2 ALA 3 HB2 ALA 3 1.658 3.241 0.332
21 HB3 ALA 3 HB3 ALA 3 1.929 3.943 -1.264
22 H GLY 4 HN GLY 4 4.434 1.867 -1.685
23 HA2 GLY 4 HA2 GLY 4 3.725 -0.432 -0.134
24 HA3 GLY 4 HA1 GLY 4 4.842 -0.439 -1.499
25 H ARG 5 HN ARG 5 6.708 1.454 -0.389
26 HA ARG 5 HA ARG 5 8.160 -0.367 1.423
27 HB2 ARG 5 HB2 ARG 5 9.168 0.805 -0.548
28 HB3 ARG 5 HB1 ARG 5 8.890 2.342 0.271
29 HG2 ARG 5 HG2 ARG 5 10.271 1.497 2.191
30 HG3 ARG 5 HG1 ARG 5 10.651 0.069 1.229
31 HD2 ARG 5 HD2 ARG 5 11.091 2.641 -0.174
32 HD3 ARG 5 HD1 ARG 5 12.171 2.341 1.202
33 HE ARG 5 HE ARG 5 12.036 -0.089 -0.199
34 HH11 ARG 5 HH21 ARG 5 13.009 3.186 -0.811
35 HH12 ARG 5 HH22 ARG 5 14.198 2.738 -1.985
36 HH21 ARG 5 HH11 ARG 5 13.586 -0.661 -1.727
37 HH22 ARG 5 HH12 ARG 5 14.524 0.573 -2.502
38 H ALA 6 HN ALA 6 5.947 2.179 1.794
39 HA ALA 6 HA ALA 6 6.889 3.794 3.880
40 HB1 ALA 6 HB1 ALA 6 4.644 3.744 2.616
41 HB2 ALA 6 HB2 ALA 6 4.567 4.162 4.327
42 HB3 ALA 6 HB3 ALA 6 4.136 2.537 3.796
43 H GLN 7 HN GLN 7 5.856 0.438 3.955
44 HA GLN 7 HA GLN 7 6.415 0.317 6.897
45 HB2 GLN 7 HB2 GLN 7 4.121 -0.274 5.912
46 HB3 GLN 7 HB1 GLN 7 4.911 -1.667 5.171
47 HG2 GLN 7 HG2 GLN 7 4.086 -2.521 7.211
48 HG3 GLN 7 HG1 GLN 7 5.783 -2.182 7.557
49 HE21 GLN 7 HE21 GLN 7 5.586 -1.629 9.788
50 HE22 GLN 7 HE22 GLN 7 4.673 -0.310 10.340
51 H GLY 8 HN GLY 8 7.391 -0.753 3.738
52 HA2 GLY 8 HA2 GLY 8 9.465 -1.800 3.212
53 HA3 GLY 8 HA1 GLY 8 9.669 -2.203 4.918
54 H MET 9 HN MET 9 7.139 -2.903 2.486
55 HA MET 9 HA MET 9 7.596 -5.819 2.936
56 HB2 MET 9 HB2 MET 9 5.266 -4.136 3.688
57 HB3 MET 9 HB1 MET 9 4.883 -5.687 2.942
58 HG2 MET 9 HG2 MET 9 6.586 -6.687 4.613
59 HG3 MET 9 HG1 MET 9 6.428 -5.158 5.477
60 HE1 MET 9 HE1 MET 9 6.100 -7.446 6.884
61 HE2 MET 9 HE2 MET 9 5.185 -8.647 5.976
62 HE3 MET 9 HE3 MET 9 4.481 -7.919 7.419
63 HN1 NH2 10 H1 NH2 10 8.255 -4.262 0.575
64 HN2 NH2 10 H2 NH2 10 7.221 -4.746 -0.681
Start of MODEL 9
1 H1 SER 1 HT1 SER 1 5.283 1.982 -6.872
2 H2 SER 1 HT2 SER 1 3.639 1.858 -7.281
3 H3 SER 1 HT3 SER 1 4.224 1.123 -5.865
4 HA SER 1 HA SER 1 3.978 4.039 -6.397
5 HB2 SER 1 HB2 SER 1 2.296 3.880 -4.669
6 HB3 SER 1 HB1 SER 1 1.971 2.594 -5.829
7 HG SER 1 HG SER 1 2.765 2.467 -3.202
8 H VAL 2 HN VAL 2 4.030 4.837 -3.778
9 HA VAL 2 HA VAL 2 6.821 4.150 -2.936
10 HB VAL 2 HB VAL 2 5.045 6.554 -2.400
11 HG11 VAL 2 HG11 VAL 2 6.682 7.403 -1.050
12 HG12 VAL 2 HG12 VAL 2 7.980 6.688 -2.007
13 HG13 VAL 2 HG13 VAL 2 7.105 5.705 -0.833
14 HG21 VAL 2 HG21 VAL 2 6.083 7.615 -4.168
15 HG22 VAL 2 HG22 VAL 2 6.153 5.959 -4.768
16 HG23 VAL 2 HG23 VAL 2 7.566 6.677 -3.995
17 H ALA 3 HN ALA 3 3.475 4.414 -1.834
18 HA ALA 3 HA ALA 3 3.888 4.124 0.974
19 HB1 ALA 3 HB1 ALA 3 1.727 3.722 -1.028
20 HB2 ALA 3 HB2 ALA 3 1.713 4.663 0.464
21 HB3 ALA 3 HB3 ALA 3 1.504 2.913 0.523
22 H GLY 4 HN GLY 4 4.414 1.890 -1.593
23 HA2 GLY 4 HA2 GLY 4 3.841 -0.572 -0.230
24 HA3 GLY 4 HA1 GLY 4 4.934 -0.401 -1.604
25 H ARG 5 HN ARG 5 6.674 1.541 -0.316
26 HA ARG 5 HA ARG 5 8.182 -0.350 1.417
27 HB2 ARG 5 HB2 ARG 5 9.231 0.690 -0.572
28 HB3 ARG 5 HB1 ARG 5 8.934 2.286 0.119
29 HG2 ARG 5 HG2 ARG 5 10.622 2.088 1.648
30 HG3 ARG 5 HG1 ARG 5 10.342 0.362 1.883
31 HD2 ARG 5 HD2 ARG 5 12.509 0.709 0.765
32 HD3 ARG 5 HD1 ARG 5 11.380 -0.064 -0.366
33 HE ARG 5 HE ARG 5 10.949 2.651 -0.745
34 HH11 ARG 5 HH21 ARG 5 13.703 0.540 -0.826
35 HH12 ARG 5 HH22 ARG 5 14.542 1.487 -2.006
36 HH21 ARG 5 HH11 ARG 5 12.048 3.875 -2.278
37 HH22 ARG 5 HH12 ARG 5 13.611 3.366 -2.825
38 H ALA 6 HN ALA 6 5.981 2.155 1.843
39 HA ALA 6 HA ALA 6 7.038 3.848 3.826
40 HB1 ALA 6 HB1 ALA 6 4.343 2.632 3.250
41 HB2 ALA 6 HB2 ALA 6 4.864 4.306 3.053
42 HB3 ALA 6 HB3 ALA 6 4.549 3.664 4.665
43 H GLN 7 HN GLN 7 5.926 0.515 4.051
44 HA GLN 7 HA GLN 7 6.700 0.445 6.945
45 HB2 GLN 7 HB2 GLN 7 4.341 -0.087 6.341
46 HB3 GLN 7 HB1 GLN 7 4.920 -1.382 5.292
47 HG2 GLN 7 HG2 GLN 7 5.434 -2.759 7.047
48 HG3 GLN 7 HG1 GLN 7 5.934 -1.421 8.082
49 HE21 GLN 7 HE21 GLN 7 2.808 -2.099 6.404
50 HE22 GLN 7 HE22 GLN 7 1.865 -1.998 7.812
51 H GLY 8 HN GLY 8 7.334 -0.804 3.746
52 HA2 GLY 8 HA2 GLY 8 9.414 -1.854 3.142
53 HA3 GLY 8 HA1 GLY 8 9.634 -2.334 4.825
54 H MET 9 HN MET 9 6.954 -2.797 2.501
55 HA MET 9 HA MET 9 7.299 -5.752 2.788
56 HB2 MET 9 HB2 MET 9 5.032 -3.989 3.614
57 HB3 MET 9 HB1 MET 9 4.625 -5.560 2.920
58 HG2 MET 9 HG2 MET 9 6.514 -6.394 4.600
59 HG3 MET 9 HG1 MET 9 6.060 -4.926 5.465
60 HE1 MET 9 HE1 MET 9 2.363 -5.287 6.220
61 HE2 MET 9 HE2 MET 9 3.334 -4.310 5.121
62 HE3 MET 9 HE3 MET 9 3.884 -4.575 6.773
63 HN1 NH2 10 H1 NH2 10 5.090 -3.360 1.198
64 HN2 NH2 10 H2 NH2 10 5.201 -4.054 -0.346
Start of MODEL 10
1 H1 SER 1 HT1 SER 1 5.198 0.142 -4.064
2 H2 SER 1 HT2 SER 1 6.834 0.005 -4.503
3 H3 SER 1 HT3 SER 1 5.623 -0.069 -5.692
4 HA SER 1 HA SER 1 6.729 2.106 -5.698
5 HB2 SER 1 HB2 SER 1 3.875 2.128 -4.674
6 HB3 SER 1 HB1 SER 1 4.619 3.306 -5.751
7 HG SER 1 HG SER 1 3.362 1.098 -6.409
8 H VAL 2 HN VAL 2 5.581 4.266 -4.248
9 HA VAL 2 HA VAL 2 7.325 4.471 -1.992
10 HB VAL 2 HB VAL 2 4.774 5.961 -2.701
11 HG11 VAL 2 HG11 VAL 2 5.931 7.821 -1.424
12 HG12 VAL 2 HG12 VAL 2 7.089 6.615 -0.859
13 HG13 VAL 2 HG13 VAL 2 5.385 6.472 -0.428
14 HG21 VAL 2 HG21 VAL 2 6.586 7.610 -3.581
15 HG22 VAL 2 HG22 VAL 2 6.205 6.193 -4.559
16 HG23 VAL 2 HG23 VAL 2 7.655 6.208 -3.556
17 H ALA 3 HN ALA 3 3.744 4.228 -2.011
18 HA ALA 3 HA ALA 3 3.425 3.807 0.784
19 HB1 ALA 3 HB1 ALA 3 1.835 3.052 -1.677
20 HB2 ALA 3 HB2 ALA 3 1.559 4.406 -0.581
21 HB3 ALA 3 HB3 ALA 3 1.228 2.759 -0.047
22 H GLY 4 HN GLY 4 4.602 1.678 -1.686
23 HA2 GLY 4 HA2 GLY 4 3.922 -0.799 -0.292
24 HA3 GLY 4 HA1 GLY 4 4.985 -0.658 -1.695
25 H ARG 5 HN ARG 5 6.658 1.410 -0.420
26 HA ARG 5 HA ARG 5 8.247 -0.415 1.324
27 HB2 ARG 5 HB2 ARG 5 8.815 2.005 -0.386
28 HB3 ARG 5 HB1 ARG 5 9.996 1.420 0.787
29 HG2 ARG 5 HG2 ARG 5 9.513 -0.912 -0.361
30 HG3 ARG 5 HG1 ARG 5 8.995 0.100 -1.710
31 HD2 ARG 5 HD2 ARG 5 11.636 0.642 -0.357
32 HD3 ARG 5 HD1 ARG 5 11.507 -0.611 -1.609
33 HE ARG 5 HE ARG 5 10.165 1.643 -2.625
34 HH11 ARG 5 HH21 ARG 5 13.359 0.789 -1.568
35 HH12 ARG 5 HH22 ARG 5 14.139 1.902 -2.639
36 HH21 ARG 5 HH11 ARG 5 11.188 3.087 -4.013
37 HH22 ARG 5 HH12 ARG 5 12.917 3.198 -4.016
38 H ALA 6 HN ALA 6 6.103 2.201 1.602
39 HA ALA 6 HA ALA 6 7.213 3.915 3.539
40 HB1 ALA 6 HB1 ALA 6 4.530 2.941 2.722
41 HB2 ALA 6 HB2 ALA 6 5.115 4.595 2.899
42 HB3 ALA 6 HB3 ALA 6 4.610 3.681 4.321
43 H GLN 7 HN GLN 7 5.956 0.643 3.877
44 HA GLN 7 HA GLN 7 6.574 0.703 6.809
45 HB2 GLN 7 HB2 GLN 7 4.237 0.161 5.838
46 HB3 GLN 7 HB1 GLN 7 4.956 -1.358 5.298
47 HG2 GLN 7 HG2 GLN 7 4.196 -2.008 7.384
48 HG3 GLN 7 HG1 GLN 7 5.808 -1.441 7.818
49 HE21 GLN 7 HE21 GLN 7 2.530 0.014 7.329
50 HE22 GLN 7 HE22 GLN 7 2.625 1.031 8.684
51 H GLY 8 HN GLY 8 7.323 -0.776 3.725
52 HA2 GLY 8 HA2 GLY 8 9.472 -1.854 3.352
53 HA3 GLY 8 HA1 GLY 8 9.487 -2.333 5.051
54 H MET 9 HN MET 9 7.013 -2.687 2.495
55 HA MET 9 HA MET 9 7.214 -5.655 2.804
56 HB2 MET 9 HB2 MET 9 4.854 -3.820 3.209
57 HB3 MET 9 HB1 MET 9 4.613 -5.511 2.769
58 HG2 MET 9 HG2 MET 9 6.244 -6.014 4.737
59 HG3 MET 9 HG1 MET 9 5.861 -4.374 5.263
60 HE1 MET 9 HE1 MET 9 5.181 -7.852 5.127
61 HE2 MET 9 HE2 MET 9 3.891 -7.708 3.936
62 HE3 MET 9 HE3 MET 9 3.502 -8.160 5.595
63 HN1 NH2 10 H1 NH2 10 7.994 -3.713 0.595
64 HN2 NH2 10 H2 NH2 10 7.099 -4.199 -0.763
Start of MODEL 11
1 H1 SER 1 HT1 SER 1 6.650 0.818 -5.787
2 H2 SER 1 HT2 SER 1 5.133 0.175 -6.200
3 H3 SER 1 HT3 SER 1 5.691 0.083 -4.598
4 HA SER 1 HA SER 1 5.147 2.649 -6.000
5 HB2 SER 1 HB2 SER 1 3.430 1.210 -3.968
6 HB3 SER 1 HB1 SER 1 2.984 2.574 -4.988
7 HG SER 1 HG SER 1 2.258 0.416 -5.675
8 H VAL 2 HN VAL 2 5.086 4.422 -4.425
9 HA VAL 2 HA VAL 2 7.187 4.374 -2.493
10 HB VAL 2 HB VAL 2 6.283 6.375 -3.646
11 HG11 VAL 2 HG11 VAL 2 3.933 6.267 -1.760
12 HG12 VAL 2 HG12 VAL 2 3.855 5.502 -3.347
13 HG13 VAL 2 HG13 VAL 2 4.131 7.238 -3.218
14 HG21 VAL 2 HG21 VAL 2 5.915 6.569 -0.641
15 HG22 VAL 2 HG22 VAL 2 6.358 7.876 -1.740
16 HG23 VAL 2 HG23 VAL 2 7.486 6.554 -1.443
17 H ALA 3 HN ALA 3 3.676 3.919 -2.160
18 HA ALA 3 HA ALA 3 3.673 3.850 0.739
19 HB1 ALA 3 HB1 ALA 3 1.841 3.302 -1.540
20 HB2 ALA 3 HB2 ALA 3 1.575 4.282 -0.098
21 HB3 ALA 3 HB3 ALA 3 1.432 2.527 -0.010
22 H GLY 4 HN GLY 4 4.580 1.567 -1.697
23 HA2 GLY 4 HA2 GLY 4 3.990 -0.847 -0.210
24 HA3 GLY 4 HA1 GLY 4 5.073 -0.733 -1.598
25 H ARG 5 HN ARG 5 6.736 1.360 -0.384
26 HA ARG 5 HA ARG 5 8.321 -0.405 1.416
27 HB2 ARG 5 HB2 ARG 5 8.915 2.134 -0.131
28 HB3 ARG 5 HB1 ARG 5 10.098 1.293 0.872
29 HG2 ARG 5 HG2 ARG 5 10.118 -0.605 -0.525
30 HG3 ARG 5 HG1 ARG 5 8.588 -0.171 -1.287
31 HD2 ARG 5 HD2 ARG 5 9.909 0.655 -2.963
32 HD3 ARG 5 HD1 ARG 5 10.167 2.026 -1.866
33 HE ARG 5 HE ARG 5 11.985 0.137 -0.979
34 HH11 ARG 5 HH21 ARG 5 11.268 1.618 -4.036
35 HH12 ARG 5 HH22 ARG 5 12.895 1.491 -4.611
36 HH21 ARG 5 HH11 ARG 5 14.095 -0.022 -1.738
37 HH22 ARG 5 HH12 ARG 5 14.488 0.567 -3.318
38 H ALA 6 HN ALA 6 6.076 2.102 1.707
39 HA ALA 6 HA ALA 6 7.118 3.881 3.625
40 HB1 ALA 6 HB1 ALA 6 4.426 2.673 3.036
41 HB2 ALA 6 HB2 ALA 6 4.970 4.334 2.801
42 HB3 ALA 6 HB3 ALA 6 4.607 3.746 4.424
43 H GLN 7 HN GLN 7 5.901 0.583 4.031
44 HA GLN 7 HA GLN 7 6.660 0.681 6.928
45 HB2 GLN 7 HB2 GLN 7 5.079 -1.237 7.104
46 HB3 GLN 7 HB1 GLN 7 4.299 0.195 6.434
47 HG2 GLN 7 HG2 GLN 7 5.476 -1.332 4.291
48 HG3 GLN 7 HG1 GLN 7 4.462 -2.390 5.270
49 HE21 GLN 7 HE21 GLN 7 4.120 -0.864 2.514
50 HE22 GLN 7 HE22 GLN 7 2.562 -0.206 2.655
51 H GLY 8 HN GLY 8 7.341 -0.764 3.839
52 HA2 GLY 8 HA2 GLY 8 9.492 -1.868 3.475
53 HA3 GLY 8 HA1 GLY 8 9.420 -2.463 5.135
54 H MET 9 HN MET 9 7.014 -2.542 2.495
55 HA MET 9 HA MET 9 6.696 -5.472 2.999
56 HB2 MET 9 HB2 MET 9 4.986 -3.181 2.290
57 HB3 MET 9 HB1 MET 9 4.647 -4.633 1.347
58 HG2 MET 9 HG2 MET 9 5.023 -4.968 4.288
59 HG3 MET 9 HG1 MET 9 3.524 -4.216 3.744
60 HE1 MET 9 HE1 MET 9 4.595 -7.852 4.755
61 HE2 MET 9 HE2 MET 9 2.835 -7.807 4.816
62 HE3 MET 9 HE3 MET 9 3.765 -6.429 5.399
63 HN1 NH2 10 H1 NH2 10 5.609 -6.266 0.544
64 HN2 NH2 10 H2 NH2 10 6.752 -6.082 -0.697
Start of MODEL 12
1 H1 SER 1 HT1 SER 1 3.592 0.401 -4.159
2 H2 SER 1 HT2 SER 1 4.806 0.107 -5.312
3 H3 SER 1 HT3 SER 1 3.196 0.334 -5.807
4 HA SER 1 HA SER 1 4.613 2.320 -6.192
5 HB2 SER 1 HB2 SER 1 2.881 3.793 -5.024
6 HB3 SER 1 HB1 SER 1 2.226 2.521 -6.049
7 HG SER 1 HG SER 1 2.522 2.524 -3.226
8 H VAL 2 HN VAL 2 4.784 4.475 -4.581
9 HA VAL 2 HA VAL 2 7.102 4.052 -2.985
10 HB VAL 2 HB VAL 2 6.382 6.191 -3.998
11 HG11 VAL 2 HG11 VAL 2 3.910 5.692 -3.304
12 HG12 VAL 2 HG12 VAL 2 4.470 7.365 -3.315
13 HG13 VAL 2 HG13 VAL 2 4.355 6.483 -1.792
14 HG21 VAL 2 HG21 VAL 2 7.149 7.579 -2.250
15 HG22 VAL 2 HG22 VAL 2 7.824 6.002 -1.844
16 HG23 VAL 2 HG23 VAL 2 6.386 6.587 -1.007
17 H ALA 3 HN ALA 3 3.660 4.112 -2.125
18 HA ALA 3 HA ALA 3 3.989 4.119 0.731
19 HB1 ALA 3 HB1 ALA 3 1.612 3.044 0.481
20 HB2 ALA 3 HB2 ALA 3 1.854 3.332 -1.242
21 HB3 ALA 3 HB3 ALA 3 1.868 4.686 -0.111
22 H GLY 4 HN GLY 4 4.362 1.625 -1.673
23 HA2 GLY 4 HA2 GLY 4 3.822 -0.688 -0.105
24 HA3 GLY 4 HA1 GLY 4 4.930 -0.644 -1.476
25 H ARG 5 HN ARG 5 6.740 1.309 -0.399
26 HA ARG 5 HA ARG 5 8.212 -0.444 1.481
27 HB2 ARG 5 HB2 ARG 5 8.854 2.067 -0.086
28 HB3 ARG 5 HB1 ARG 5 10.010 1.286 0.993
29 HG2 ARG 5 HG2 ARG 5 10.344 -0.479 -0.418
30 HG3 ARG 5 HG1 ARG 5 8.663 -0.504 -0.949
31 HD2 ARG 5 HD2 ARG 5 9.803 1.953 -1.867
32 HD3 ARG 5 HD1 ARG 5 10.913 0.641 -2.307
33 HE ARG 5 HE ARG 5 8.127 -0.055 -2.791
34 HH11 ARG 5 HH21 ARG 5 10.923 1.582 -4.039
35 HH12 ARG 5 HH22 ARG 5 10.437 1.400 -5.690
36 HH21 ARG 5 HH11 ARG 5 7.506 -0.284 -4.939
37 HH22 ARG 5 HH12 ARG 5 8.512 0.349 -6.198
38 H ALA 6 HN ALA 6 5.976 2.045 1.783
39 HA ALA 6 HA ALA 6 7.006 3.823 3.713
40 HB1 ALA 6 HB1 ALA 6 4.772 3.867 2.552
41 HB2 ALA 6 HB2 ALA 6 4.657 4.144 4.290
42 HB3 ALA 6 HB3 ALA 6 4.243 2.567 3.620
43 H GLN 7 HN GLN 7 5.889 0.497 4.056
44 HA GLN 7 HA GLN 7 6.542 0.589 6.979
45 HB2 GLN 7 HB2 GLN 7 5.038 -1.398 7.076
46 HB3 GLN 7 HB1 GLN 7 4.222 0.010 6.398
47 HG2 GLN 7 HG2 GLN 7 4.412 -0.824 4.172
48 HG3 GLN 7 HG1 GLN 7 5.577 -2.057 4.655
49 HE21 GLN 7 HE21 GLN 7 4.559 -3.510 6.597
50 HE22 GLN 7 HE22 GLN 7 2.986 -4.067 6.284
51 H GLY 8 HN GLY 8 7.297 -0.875 3.893
52 HA2 GLY 8 HA2 GLY 8 9.557 -1.833 3.612
53 HA3 GLY 8 HA1 GLY 8 9.416 -2.495 5.242
54 H MET 9 HN MET 9 7.130 -2.546 2.499
55 HA MET 9 HA MET 9 7.210 -5.544 2.630
56 HB2 MET 9 HB2 MET 9 5.073 -3.592 2.999
57 HB3 MET 9 HB1 MET 9 4.680 -4.740 1.720
58 HG2 MET 9 HG2 MET 9 5.842 -5.809 4.261
59 HG3 MET 9 HG1 MET 9 4.154 -5.299 4.268
60 HE1 MET 9 HE1 MET 9 4.314 -9.258 3.994
61 HE2 MET 9 HE2 MET 9 3.764 -7.906 4.981
62 HE3 MET 9 HE3 MET 9 5.491 -8.181 4.759
63 HN1 NH2 10 H1 NH2 10 5.993 -6.358 0.427
64 HN2 NH2 10 H2 NH2 10 6.554 -5.612 -0.990
Start of MODEL 13
1 H1 SER 1 HT1 SER 1 5.841 -0.389 -5.686
2 H2 SER 1 HT2 SER 1 5.811 -0.291 -3.990
3 H3 SER 1 HT3 SER 1 7.258 -0.009 -4.835
4 HA SER 1 HA SER 1 6.408 2.015 -5.776
5 HB2 SER 1 HB2 SER 1 4.008 2.589 -4.977
6 HB3 SER 1 HB1 SER 1 4.175 1.354 -6.222
7 HG SER 1 HG SER 1 3.058 0.220 -4.831
8 H VAL 2 HN VAL 2 5.730 4.039 -4.370
9 HA VAL 2 HA VAL 2 7.444 4.199 -2.093
10 HB VAL 2 HB VAL 2 5.051 5.871 -2.926
11 HG11 VAL 2 HG11 VAL 2 6.581 7.654 -1.747
12 HG12 VAL 2 HG12 VAL 2 7.256 6.250 -0.920
13 HG13 VAL 2 HG13 VAL 2 5.539 6.622 -0.767
14 HG21 VAL 2 HG21 VAL 2 6.527 5.897 -4.758
15 HG22 VAL 2 HG22 VAL 2 7.955 5.804 -3.726
16 HG23 VAL 2 HG23 VAL 2 7.036 7.307 -3.828
17 H ALA 3 HN ALA 3 3.857 4.216 -2.189
18 HA ALA 3 HA ALA 3 3.419 4.026 0.609
19 HB1 ALA 3 HB1 ALA 3 1.489 4.495 -0.547
20 HB2 ALA 3 HB2 ALA 3 1.284 2.745 -0.469
21 HB3 ALA 3 HB3 ALA 3 1.953 3.490 -1.922
22 H GLY 4 HN GLY 4 4.549 1.643 -1.649
23 HA2 GLY 4 HA2 GLY 4 3.750 -0.660 -0.021
24 HA3 GLY 4 HA1 GLY 4 4.773 -0.711 -1.458
25 H ARG 5 HN ARG 5 6.591 1.379 -0.432
26 HA ARG 5 HA ARG 5 8.232 -0.381 1.299
27 HB2 ARG 5 HB2 ARG 5 8.675 2.169 -0.265
28 HB3 ARG 5 HB1 ARG 5 9.916 1.482 0.783
29 HG2 ARG 5 HG2 ARG 5 9.816 -0.635 -0.482
30 HG3 ARG 5 HG1 ARG 5 8.580 0.054 -1.536
31 HD2 ARG 5 HD2 ARG 5 10.771 0.247 -2.629
32 HD3 ARG 5 HD1 ARG 5 10.220 1.868 -2.162
33 HE ARG 5 HE ARG 5 11.735 0.572 -0.044
34 HH11 ARG 5 HH21 ARG 5 11.943 2.378 -3.002
35 HH12 ARG 5 HH22 ARG 5 13.496 3.040 -2.625
36 HH21 ARG 5 HH11 ARG 5 13.755 1.439 0.434
37 HH22 ARG 5 HH12 ARG 5 14.517 2.513 -0.691
38 H ALA 6 HN ALA 6 6.046 2.222 1.685
39 HA ALA 6 HA ALA 6 7.140 3.844 3.699
40 HB1 ALA 6 HB1 ALA 6 4.317 2.743 3.686
41 HB2 ALA 6 HB2 ALA 6 4.875 3.920 2.496
42 HB3 ALA 6 HB3 ALA 6 4.849 4.342 4.209
43 H GLN 7 HN GLN 7 5.942 0.543 3.891
44 HA GLN 7 HA GLN 7 6.512 0.496 6.834
45 HB2 GLN 7 HB2 GLN 7 4.894 -1.400 5.094
46 HB3 GLN 7 HB1 GLN 7 4.970 -1.405 6.856
47 HG2 GLN 7 HG2 GLN 7 3.930 0.899 5.180
48 HG3 GLN 7 HG1 GLN 7 2.915 -0.287 6.002
49 HE21 GLN 7 HE21 GLN 7 4.003 -0.559 8.492
50 HE22 GLN 7 HE22 GLN 7 4.080 0.932 9.301
51 H GLY 8 HN GLY 8 7.500 -0.677 3.727
52 HA2 GLY 8 HA2 GLY 8 9.632 -1.746 3.359
53 HA3 GLY 8 HA1 GLY 8 9.599 -2.325 5.027
54 H MET 9 HN MET 9 6.958 -2.536 2.685
55 HA MET 9 HA MET 9 7.250 -5.524 2.728
56 HB2 MET 9 HB2 MET 9 5.071 -3.684 3.483
57 HB3 MET 9 HB1 MET 9 4.557 -5.003 2.430
58 HG2 MET 9 HG2 MET 9 6.227 -5.439 4.917
59 HG3 MET 9 HG1 MET 9 4.464 -5.513 4.918
60 HE1 MET 9 HE1 MET 9 6.387 -7.379 5.902
61 HE2 MET 9 HE2 MET 9 6.638 -8.907 5.062
62 HE3 MET 9 HE3 MET 9 5.060 -8.540 5.754
63 HN1 NH2 10 H1 NH2 10 8.418 -5.016 0.556
64 HN2 NH2 10 H2 NH2 10 7.450 -4.794 -0.820
Start of MODEL 14
1 H1 SER 1 HT1 SER 1 5.786 0.963 -5.214
2 H2 SER 1 HT2 SER 1 4.547 1.335 -6.316
3 H3 SER 1 HT3 SER 1 4.185 1.106 -4.673
4 HA SER 1 HA SER 1 5.746 3.349 -5.851
5 HB2 SER 1 HB2 SER 1 3.155 3.325 -4.290
6 HB3 SER 1 HB1 SER 1 3.808 4.628 -5.279
7 HG SER 1 HG SER 1 2.184 2.679 -6.011
8 H VAL 2 HN VAL 2 5.608 5.120 -3.889
9 HA VAL 2 HA VAL 2 7.452 4.280 -1.894
10 HB VAL 2 HB VAL 2 7.043 6.602 -2.638
11 HG11 VAL 2 HG11 VAL 2 5.047 7.764 -2.206
12 HG12 VAL 2 HG12 VAL 2 4.540 6.619 -0.963
13 HG13 VAL 2 HG13 VAL 2 4.473 6.161 -2.664
14 HG21 VAL 2 HG21 VAL 2 6.673 5.950 0.289
15 HG22 VAL 2 HG22 VAL 2 6.816 7.615 -0.274
16 HG23 VAL 2 HG23 VAL 2 8.139 6.479 -0.536
17 H ALA 3 HN ALA 3 3.904 4.419 -1.867
18 HA ALA 3 HA ALA 3 3.442 3.985 0.904
19 HB1 ALA 3 HB1 ALA 3 1.847 2.858 -1.414
20 HB2 ALA 3 HB2 ALA 3 1.825 4.568 -0.980
21 HB3 ALA 3 HB3 ALA 3 1.238 3.360 0.163
22 H GLY 4 HN GLY 4 4.535 1.799 -1.604
23 HA2 GLY 4 HA2 GLY 4 3.871 -0.646 -0.172
24 HA3 GLY 4 HA1 GLY 4 4.933 -0.526 -1.577
25 H ARG 5 HN ARG 5 6.699 1.464 -0.413
26 HA ARG 5 HA ARG 5 8.284 -0.351 1.320
27 HB2 ARG 5 HB2 ARG 5 8.813 2.218 -0.190
28 HB3 ARG 5 HB1 ARG 5 10.020 1.462 0.852
29 HG2 ARG 5 HG2 ARG 5 10.395 -0.259 -0.602
30 HG3 ARG 5 HG1 ARG 5 8.703 -0.344 -1.095
31 HD2 ARG 5 HD2 ARG 5 9.187 0.832 -2.967
32 HD3 ARG 5 HD1 ARG 5 9.792 2.174 -1.975
33 HE ARG 5 HE ARG 5 11.985 1.378 -2.333
34 HH11 ARG 5 HH21 ARG 5 9.639 -1.082 -3.033
35 HH12 ARG 5 HH22 ARG 5 10.814 -2.192 -3.646
36 HH21 ARG 5 HH11 ARG 5 13.504 -0.074 -3.134
37 HH22 ARG 5 HH12 ARG 5 12.992 -1.626 -3.704
38 H ALA 6 HN ALA 6 6.092 2.222 1.712
39 HA ALA 6 HA ALA 6 7.170 3.847 3.741
40 HB1 ALA 6 HB1 ALA 6 5.073 4.511 3.037
41 HB2 ALA 6 HB2 ALA 6 4.589 3.637 4.491
42 HB3 ALA 6 HB3 ALA 6 4.479 2.855 2.913
43 H GLN 7 HN GLN 7 5.813 0.583 3.950
44 HA GLN 7 HA GLN 7 6.430 0.516 6.877
45 HB2 GLN 7 HB2 GLN 7 4.890 -1.422 6.855
46 HB3 GLN 7 HB1 GLN 7 4.124 -0.005 6.138
47 HG2 GLN 7 HG2 GLN 7 5.496 -1.352 4.040
48 HG3 GLN 7 HG1 GLN 7 4.602 -2.577 4.941
49 HE21 GLN 7 HE21 GLN 7 4.224 -0.648 2.321
50 HE22 GLN 7 HE22 GLN 7 2.555 -0.353 2.397
51 H GLY 8 HN GLY 8 7.372 -0.729 3.770
52 HA2 GLY 8 HA2 GLY 8 9.492 -1.812 3.391
53 HA3 GLY 8 HA1 GLY 8 9.505 -2.321 5.081
54 H MET 9 HN MET 9 7.111 -2.692 2.450
55 HA MET 9 HA MET 9 6.499 -5.426 3.288
56 HB2 MET 9 HB2 MET 9 5.546 -3.365 1.404
57 HB3 MET 9 HB1 MET 9 5.344 -5.018 0.820
58 HG2 MET 9 HG2 MET 9 4.300 -5.565 3.073
59 HG3 MET 9 HG1 MET 9 4.289 -3.832 3.398
60 HE1 MET 9 HE1 MET 9 3.474 -6.688 1.477
61 HE2 MET 9 HE2 MET 9 2.530 -6.195 0.073
62 HE3 MET 9 HE3 MET 9 1.712 -6.577 1.586
63 HN1 NH2 10 H1 NH2 10 8.453 -3.924 0.701
64 HN2 NH2 10 H2 NH2 10 9.074 -5.379 0.085
Start of MODEL 15
1 H1 SER 1 HT1 SER 1 7.080 0.215 -4.998
2 H2 SER 1 HT2 SER 1 5.840 -0.256 -6.061
3 H3 SER 1 HT3 SER 1 5.583 -0.291 -4.382
4 HA SER 1 HA SER 1 5.873 2.102 -6.118
5 HB2 SER 1 HB2 SER 1 3.746 0.700 -4.522
6 HB3 SER 1 HB1 SER 1 3.612 2.433 -4.806
7 HG SER 1 HG SER 1 3.464 2.080 -6.944
8 H VAL 2 HN VAL 2 4.919 3.967 -4.422
9 HA VAL 2 HA VAL 2 7.107 4.436 -2.581
10 HB VAL 2 HB VAL 2 4.407 5.781 -2.939
11 HG11 VAL 2 HG11 VAL 2 5.656 6.286 -0.795
12 HG12 VAL 2 HG12 VAL 2 5.385 7.687 -1.832
13 HG13 VAL 2 HG13 VAL 2 6.970 6.917 -1.788
14 HG21 VAL 2 HG21 VAL 2 5.714 7.367 -4.353
15 HG22 VAL 2 HG22 VAL 2 5.703 5.734 -5.018
16 HG23 VAL 2 HG23 VAL 2 7.128 6.330 -4.168
17 H ALA 3 HN ALA 3 3.588 4.087 -1.970
18 HA ALA 3 HA ALA 3 3.790 3.814 0.861
19 HB1 ALA 3 HB1 ALA 3 1.514 3.535 0.681
20 HB2 ALA 3 HB2 ALA 3 1.662 2.346 -0.614
21 HB3 ALA 3 HB3 ALA 3 1.812 4.065 -0.974
22 H GLY 4 HN GLY 4 4.565 1.590 -1.680
23 HA2 GLY 4 HA2 GLY 4 4.096 -0.879 -0.292
24 HA3 GLY 4 HA1 GLY 4 5.210 -0.667 -1.644
25 H ARG 5 HN ARG 5 6.812 1.386 -0.345
26 HA ARG 5 HA ARG 5 8.350 -0.392 1.486
27 HB2 ARG 5 HB2 ARG 5 8.969 2.088 -0.134
28 HB3 ARG 5 HB1 ARG 5 10.122 1.385 1.001
29 HG2 ARG 5 HG2 ARG 5 9.786 -0.825 -0.238
30 HG3 ARG 5 HG1 ARG 5 8.956 0.111 -1.482
31 HD2 ARG 5 HD2 ARG 5 11.322 -0.130 -2.097
32 HD3 ARG 5 HD1 ARG 5 11.011 1.564 -1.668
33 HE ARG 5 HE ARG 5 11.715 0.142 0.707
34 HH11 ARG 5 HH21 ARG 5 13.080 1.266 -2.279
35 HH12 ARG 5 HH22 ARG 5 14.673 1.434 -1.624
36 HH21 ARG 5 HH11 ARG 5 13.789 0.362 1.548
37 HH22 ARG 5 HH12 ARG 5 15.074 0.925 0.532
38 H ALA 6 HN ALA 6 6.094 2.097 1.730
39 HA ALA 6 HA ALA 6 7.092 3.898 3.652
40 HB1 ALA 6 HB1 ALA 6 4.526 3.591 4.428
41 HB2 ALA 6 HB2 ALA 6 4.456 2.721 2.896
42 HB3 ALA 6 HB3 ALA 6 4.958 4.411 2.929
43 H GLN 7 HN GLN 7 5.897 0.594 4.054
44 HA GLN 7 HA GLN 7 6.657 0.697 6.951
45 HB2 GLN 7 HB2 GLN 7 5.063 -1.227 7.126
46 HB3 GLN 7 HB1 GLN 7 4.292 0.234 6.508
47 HG2 GLN 7 HG2 GLN 7 4.094 -0.613 4.357
48 HG3 GLN 7 HG1 GLN 7 5.475 -1.694 4.543
49 HE21 GLN 7 HE21 GLN 7 5.055 -3.460 6.373
50 HE22 GLN 7 HE22 GLN 7 3.517 -4.179 6.344
51 H GLY 8 HN GLY 8 7.315 -0.747 3.860
52 HA2 GLY 8 HA2 GLY 8 9.473 -1.860 3.517
53 HA3 GLY 8 HA1 GLY 8 9.347 -2.507 5.153
54 H MET 9 HN MET 9 7.006 -2.453 2.454
55 HA MET 9 HA MET 9 6.759 -5.427 2.761
56 HB2 MET 9 HB2 MET 9 4.895 -3.159 2.479
57 HB3 MET 9 HB1 MET 9 4.508 -4.534 1.444
58 HG2 MET 9 HG2 MET 9 5.204 -5.040 4.316
59 HG3 MET 9 HG1 MET 9 3.594 -4.437 3.923
60 HE1 MET 9 HE1 MET 9 1.905 -5.404 2.830
61 HE2 MET 9 HE2 MET 9 1.877 -6.480 4.224
62 HE3 MET 9 HE3 MET 9 1.650 -7.140 2.607
63 HN1 NH2 10 H1 NH2 10 5.394 -5.950 0.346
64 HN2 NH2 10 H2 NH2 10 6.403 -5.602 -0.974
Start of MODEL 16
1 H1 SER 1 HT1 SER 1 4.370 1.411 -6.749
2 H2 SER 1 HT2 SER 1 5.268 0.953 -5.381
3 H3 SER 1 HT3 SER 1 5.798 2.238 -6.358
4 HA SER 1 HA SER 1 3.890 3.572 -5.715
5 HB2 SER 1 HB2 SER 1 3.222 1.159 -4.004
6 HB3 SER 1 HB1 SER 1 2.243 2.607 -4.217
7 HG SER 1 HG SER 1 1.440 1.681 -5.912
8 H VAL 2 HN VAL 2 4.280 4.992 -3.993
9 HA VAL 2 HA VAL 2 6.709 4.767 -2.505
10 HB VAL 2 HB VAL 2 4.210 6.436 -2.076
11 HG11 VAL 2 HG11 VAL 2 5.722 6.366 -0.095
12 HG12 VAL 2 HG12 VAL 2 5.668 7.963 -0.841
13 HG13 VAL 2 HG13 VAL 2 7.052 6.905 -1.121
14 HG21 VAL 2 HG21 VAL 2 6.013 8.098 -3.190
15 HG22 VAL 2 HG22 VAL 2 4.903 7.127 -4.158
16 HG23 VAL 2 HG23 VAL 2 6.560 6.580 -3.902
17 H ALA 3 HN ALA 3 3.307 4.332 -1.481
18 HA ALA 3 HA ALA 3 3.816 3.691 1.248
19 HB1 ALA 3 HB1 ALA 3 1.564 2.273 0.565
20 HB2 ALA 3 HB2 ALA 3 1.660 3.440 -0.754
21 HB3 ALA 3 HB3 ALA 3 1.579 4.002 0.917
22 H GLY 4 HN GLY 4 4.471 1.885 -1.621
23 HA2 GLY 4 HA2 GLY 4 4.186 -0.782 -0.643
24 HA3 GLY 4 HA1 GLY 4 5.274 -0.296 -1.944
25 H ARG 5 HN ARG 5 6.814 1.574 -0.356
26 HA ARG 5 HA ARG 5 8.327 -0.398 1.314
27 HB2 ARG 5 HB2 ARG 5 9.027 1.930 -0.443
28 HB3 ARG 5 HB1 ARG 5 10.129 1.481 0.860
29 HG2 ARG 5 HG2 ARG 5 9.724 -0.961 -0.135
30 HG3 ARG 5 HG1 ARG 5 9.382 -0.041 -1.601
31 HD2 ARG 5 HD2 ARG 5 11.730 1.086 -0.415
32 HD3 ARG 5 HD1 ARG 5 11.947 -0.674 -0.495
33 HE ARG 5 HE ARG 5 11.693 1.118 -2.787
34 HH11 ARG 5 HH21 ARG 5 11.188 -2.095 -1.568
35 HH12 ARG 5 HH22 ARG 5 11.267 -2.826 -3.135
36 HH21 ARG 5 HH11 ARG 5 11.790 0.154 -4.817
37 HH22 ARG 5 HH12 ARG 5 11.605 -1.562 -4.963
38 H ALA 6 HN ALA 6 6.326 2.346 1.559
39 HA ALA 6 HA ALA 6 7.469 3.945 3.576
40 HB1 ALA 6 HB1 ALA 6 4.594 3.011 3.259
41 HB2 ALA 6 HB2 ALA 6 5.330 4.347 2.374
42 HB3 ALA 6 HB3 ALA 6 5.111 4.459 4.121
43 H GLN 7 HN GLN 7 5.941 0.778 3.787
44 HA GLN 7 HA GLN 7 6.446 0.710 6.738
45 HB2 GLN 7 HB2 GLN 7 4.129 0.341 5.932
46 HB3 GLN 7 HB1 GLN 7 4.697 -0.988 4.922
47 HG2 GLN 7 HG2 GLN 7 4.396 -2.370 6.672
48 HG3 GLN 7 HG1 GLN 7 5.697 -1.521 7.506
49 HE21 GLN 7 HE21 GLN 7 4.649 0.901 8.202
50 HE22 GLN 7 HE22 GLN 7 3.250 0.724 9.146
51 H GLY 8 HN GLY 8 7.215 -0.745 3.640
52 HA2 GLY 8 HA2 GLY 8 9.337 -1.902 3.320
53 HA3 GLY 8 HA1 GLY 8 9.254 -2.440 4.998
54 H MET 9 HN MET 9 6.867 -2.578 2.343
55 HA MET 9 HA MET 9 6.657 -5.531 2.841
56 HB2 MET 9 HB2 MET 9 4.739 -3.302 2.451
57 HB3 MET 9 HB1 MET 9 4.329 -4.803 1.622
58 HG2 MET 9 HG2 MET 9 5.199 -4.912 4.491
59 HG3 MET 9 HG1 MET 9 3.547 -4.427 4.111
60 HE1 MET 9 HE1 MET 9 5.800 -6.727 5.034
61 HE2 MET 9 HE2 MET 9 5.401 -8.351 4.482
62 HE3 MET 9 HE3 MET 9 4.392 -7.570 5.696
63 HN1 NH2 10 H1 NH2 10 7.083 -3.010 0.395
64 HN2 NH2 10 H2 NH2 10 7.235 -4.056 -0.933
Start of MODEL 17
1 H1 SER 1 HT1 SER 1 4.781 0.219 -5.880
2 H2 SER 1 HT2 SER 1 4.601 0.318 -4.194
3 H3 SER 1 HT3 SER 1 6.152 0.264 -4.883
4 HA SER 1 HA SER 1 5.782 2.427 -5.934
5 HB2 SER 1 HB2 SER 1 3.096 1.824 -4.740
6 HB3 SER 1 HB1 SER 1 3.582 3.507 -4.925
7 HG SER 1 HG SER 1 3.501 1.512 -6.949
8 H VAL 2 HN VAL 2 5.275 4.546 -4.360
9 HA VAL 2 HA VAL 2 7.246 4.475 -2.309
10 HB VAL 2 HB VAL 2 6.415 6.488 -3.485
11 HG11 VAL 2 HG11 VAL 2 3.967 5.584 -3.311
12 HG12 VAL 2 HG12 VAL 2 4.238 7.324 -3.233
13 HG13 VAL 2 HG13 VAL 2 3.955 6.408 -1.752
14 HG21 VAL 2 HG21 VAL 2 5.896 6.609 -0.497
15 HG22 VAL 2 HG22 VAL 2 6.308 7.971 -1.539
16 HG23 VAL 2 HG23 VAL 2 7.490 6.697 -1.245
17 H ALA 3 HN ALA 3 3.739 3.960 -2.188
18 HA ALA 3 HA ALA 3 3.587 3.879 0.719
19 HB1 ALA 3 HB1 ALA 3 1.586 4.435 -0.338
20 HB2 ALA 3 HB2 ALA 3 1.332 2.715 -0.046
21 HB3 ALA 3 HB3 ALA 3 1.836 3.274 -1.641
22 H GLY 4 HN GLY 4 4.616 1.640 -1.695
23 HA2 GLY 4 HA2 GLY 4 3.902 -0.782 -0.233
24 HA3 GLY 4 HA1 GLY 4 4.966 -0.696 -1.638
25 H ARG 5 HN ARG 5 6.665 1.385 -0.383
26 HA ARG 5 HA ARG 5 8.244 -0.448 1.359
27 HB2 ARG 5 HB2 ARG 5 8.781 1.917 -0.412
28 HB3 ARG 5 HB1 ARG 5 9.943 1.504 0.849
29 HG2 ARG 5 HG2 ARG 5 9.335 -0.949 -0.338
30 HG3 ARG 5 HG1 ARG 5 9.431 0.172 -1.696
31 HD2 ARG 5 HD2 ARG 5 11.571 0.460 0.347
32 HD3 ARG 5 HD1 ARG 5 11.626 -1.018 -0.634
33 HE ARG 5 HE ARG 5 11.096 0.982 -2.481
34 HH11 ARG 5 HH21 ARG 5 13.520 0.425 -0.060
35 HH12 ARG 5 HH22 ARG 5 14.749 1.281 -0.925
36 HH21 ARG 5 HH11 ARG 5 12.701 2.093 -3.598
37 HH22 ARG 5 HH12 ARG 5 14.289 2.221 -2.919
38 H ALA 6 HN ALA 6 6.130 2.216 1.633
39 HA ALA 6 HA ALA 6 7.238 3.878 3.610
40 HB1 ALA 6 HB1 ALA 6 5.073 4.635 3.750
41 HB2 ALA 6 HB2 ALA 6 4.418 3.013 3.966
42 HB3 ALA 6 HB3 ALA 6 4.841 3.585 2.353
43 H GLN 7 HN GLN 7 5.957 0.614 3.884
44 HA GLN 7 HA GLN 7 6.520 0.629 6.827
45 HB2 GLN 7 HB2 GLN 7 4.209 0.078 5.704
46 HB3 GLN 7 HB1 GLN 7 4.966 -1.471 5.327
47 HG2 GLN 7 HG2 GLN 7 4.103 -1.990 7.402
48 HG3 GLN 7 HG1 GLN 7 5.658 -1.326 7.907
49 HE21 GLN 7 HE21 GLN 7 2.526 0.171 6.888
50 HE22 GLN 7 HE22 GLN 7 2.421 1.203 8.232
51 H GLY 8 HN GLY 8 7.366 -0.762 3.737
52 HA2 GLY 8 HA2 GLY 8 9.476 -1.874 3.360
53 HA3 GLY 8 HA1 GLY 8 9.508 -2.332 5.065
54 H MET 9 HN MET 9 7.046 -2.736 2.503
55 HA MET 9 HA MET 9 7.059 -5.675 3.121
56 HB2 MET 9 HB2 MET 9 5.079 -3.833 3.597
57 HB3 MET 9 HB1 MET 9 4.615 -4.443 2.008
58 HG2 MET 9 HG2 MET 9 5.394 -6.380 4.167
59 HG3 MET 9 HG1 MET 9 3.773 -5.686 4.164
60 HE1 MET 9 HE1 MET 9 2.148 -8.359 2.730
61 HE2 MET 9 HE2 MET 9 2.782 -7.584 4.181
62 HE3 MET 9 HE3 MET 9 3.561 -9.034 3.552
63 HN1 NH2 10 H1 NH2 10 6.503 -3.210 0.558
64 HN2 NH2 10 H2 NH2 10 6.801 -4.259 -0.744
Start of MODEL 18
1 H1 SER 1 HT1 SER 1 3.539 2.426 -7.513
2 H2 SER 1 HT2 SER 1 4.530 1.592 -6.414
3 H3 SER 1 HT3 SER 1 5.171 2.858 -7.347
4 HA SER 1 HA SER 1 3.819 4.474 -6.189
5 HB2 SER 1 HB2 SER 1 2.306 3.628 -4.416
6 HB3 SER 1 HB1 SER 1 1.901 2.934 -5.983
7 HG SER 1 HG SER 1 2.795 1.732 -3.704
8 H VAL 2 HN VAL 2 4.099 4.937 -3.673
9 HA VAL 2 HA VAL 2 6.797 3.891 -2.895
10 HB VAL 2 HB VAL 2 5.330 6.466 -2.236
11 HG11 VAL 2 HG11 VAL 2 6.762 6.137 -0.411
12 HG12 VAL 2 HG12 VAL 2 7.780 7.057 -1.519
13 HG13 VAL 2 HG13 VAL 2 7.975 5.309 -1.387
14 HG21 VAL 2 HG21 VAL 2 7.434 5.682 -4.242
15 HG22 VAL 2 HG22 VAL 2 7.380 7.332 -3.620
16 HG23 VAL 2 HG23 VAL 2 5.990 6.668 -4.478
17 H ALA 3 HN ALA 3 3.466 4.193 -1.903
18 HA ALA 3 HA ALA 3 3.719 3.935 0.922
19 HB1 ALA 3 HB1 ALA 3 1.678 4.454 -0.498
20 HB2 ALA 3 HB2 ALA 3 1.398 3.284 0.793
21 HB3 ALA 3 HB3 ALA 3 1.592 2.732 -0.871
22 H GLY 4 HN GLY 4 4.457 1.683 -1.585
23 HA2 GLY 4 HA2 GLY 4 3.917 -0.758 -0.139
24 HA3 GLY 4 HA1 GLY 4 4.970 -0.611 -1.547
25 H ARG 5 HN ARG 5 6.665 1.446 -0.323
26 HA ARG 5 HA ARG 5 8.282 -0.363 1.403
27 HB2 ARG 5 HB2 ARG 5 8.792 2.129 -0.226
28 HB3 ARG 5 HB1 ARG 5 9.995 1.501 0.901
29 HG2 ARG 5 HG2 ARG 5 9.582 -0.774 -0.323
30 HG3 ARG 5 HG1 ARG 5 8.925 0.239 -1.609
31 HD2 ARG 5 HD2 ARG 5 11.130 0.290 -2.284
32 HD3 ARG 5 HD1 ARG 5 11.238 1.581 -1.071
33 HE ARG 5 HE ARG 5 11.528 -1.043 0.132
34 HH11 ARG 5 HH21 ARG 5 13.160 1.458 -1.636
35 HH12 ARG 5 HH22 ARG 5 14.723 1.029 -1.029
36 HH21 ARG 5 HH11 ARG 5 13.564 -1.592 0.915
37 HH22 ARG 5 HH12 ARG 5 14.952 -0.688 0.407
38 H ALA 6 HN ALA 6 6.036 2.121 1.802
39 HA ALA 6 HA ALA 6 7.108 3.865 3.735
40 HB1 ALA 6 HB1 ALA 6 4.350 2.627 3.868
41 HB2 ALA 6 HB2 ALA 6 4.797 3.757 2.592
42 HB3 ALA 6 HB3 ALA 6 4.819 4.277 4.277
43 H GLN 7 HN GLN 7 5.926 0.549 4.091
44 HA GLN 7 HA GLN 7 6.745 0.587 6.973
45 HB2 GLN 7 HB2 GLN 7 5.197 -1.363 7.128
46 HB3 GLN 7 HB1 GLN 7 4.383 0.077 6.518
47 HG2 GLN 7 HG2 GLN 7 4.405 -0.727 4.281
48 HG3 GLN 7 HG1 GLN 7 5.586 -1.980 4.660
49 HE21 GLN 7 HE21 GLN 7 4.608 -3.324 6.796
50 HE22 GLN 7 HE22 GLN 7 3.044 -3.918 6.511
51 H GLY 8 HN GLY 8 7.364 -0.790 3.836
52 HA2 GLY 8 HA2 GLY 8 9.490 -1.872 3.358
53 HA3 GLY 8 HA1 GLY 8 9.540 -2.435 5.029
54 H MET 9 HN MET 9 7.007 -2.634 2.515
55 HA MET 9 HA MET 9 6.284 -5.340 3.275
56 HB2 MET 9 HB2 MET 9 5.660 -3.645 0.833
57 HB3 MET 9 HB1 MET 9 4.796 -5.111 1.296
58 HG2 MET 9 HG2 MET 9 4.352 -3.963 3.541
59 HG3 MET 9 HG1 MET 9 4.911 -2.477 2.775
60 HE1 MET 9 HE1 MET 9 2.474 -4.564 3.796
61 HE2 MET 9 HE2 MET 9 1.858 -5.351 2.345
62 HE3 MET 9 HE3 MET 9 0.945 -4.035 3.078
63 HN1 NH2 10 H1 NH2 10 8.127 -6.759 2.954
64 HN2 NH2 10 H2 NH2 10 8.785 -7.067 1.420
Start of MODEL 19
1 H1 SER 1 HT1 SER 1 5.705 -0.093 -4.382
2 H2 SER 1 HT2 SER 1 7.111 0.432 -5.177
3 H3 SER 1 HT3 SER 1 5.730 0.012 -6.075
4 HA SER 1 HA SER 1 5.950 2.424 -5.954
5 HB2 SER 1 HB2 SER 1 3.634 2.720 -4.944
6 HB3 SER 1 HB1 SER 1 3.758 1.441 -6.150
7 HG SER 1 HG SER 1 3.375 0.013 -4.649
8 H VAL 2 HN VAL 2 5.425 4.291 -4.373
9 HA VAL 2 HA VAL 2 7.334 4.362 -2.249
10 HB VAL 2 HB VAL 2 4.841 6.019 -2.765
11 HG11 VAL 2 HG11 VAL 2 5.487 6.690 -0.635
12 HG12 VAL 2 HG12 VAL 2 6.478 7.759 -1.627
13 HG13 VAL 2 HG13 VAL 2 7.185 6.307 -0.916
14 HG21 VAL 2 HG21 VAL 2 7.683 6.133 -3.785
15 HG22 VAL 2 HG22 VAL 2 6.647 7.560 -3.787
16 HG23 VAL 2 HG23 VAL 2 6.185 6.135 -4.717
17 H ALA 3 HN ALA 3 3.752 4.274 -2.040
18 HA ALA 3 HA ALA 3 3.569 3.920 0.773
19 HB1 ALA 3 HB1 ALA 3 1.383 2.623 -0.232
20 HB2 ALA 3 HB2 ALA 3 1.898 3.546 -1.644
21 HB3 ALA 3 HB3 ALA 3 1.519 4.379 -0.136
22 H GLY 4 HN GLY 4 4.565 1.703 -1.701
23 HA2 GLY 4 HA2 GLY 4 3.891 -0.738 -0.276
24 HA3 GLY 4 HA1 GLY 4 4.980 -0.618 -1.659
25 H ARG 5 HN ARG 5 6.678 1.420 -0.398
26 HA ARG 5 HA ARG 5 8.211 -0.412 1.381
27 HB2 ARG 5 HB2 ARG 5 8.847 1.209 -0.784
28 HB3 ARG 5 HB1 ARG 5 9.424 2.137 0.601
29 HG2 ARG 5 HG2 ARG 5 10.026 -0.795 0.491
30 HG3 ARG 5 HG1 ARG 5 10.970 0.301 -0.519
31 HD2 ARG 5 HD2 ARG 5 10.573 0.698 2.467
32 HD3 ARG 5 HD1 ARG 5 12.000 -0.073 1.748
33 HE ARG 5 HE ARG 5 11.466 2.423 0.423
34 HH11 ARG 5 HH21 ARG 5 12.677 1.073 3.382
35 HH12 ARG 5 HH22 ARG 5 13.715 2.417 3.708
36 HH21 ARG 5 HH11 ARG 5 12.818 4.167 0.858
37 HH22 ARG 5 HH12 ARG 5 13.796 4.161 2.287
38 H ALA 6 HN ALA 6 6.034 2.158 1.683
39 HA ALA 6 HA ALA 6 7.098 3.884 3.635
40 HB1 ALA 6 HB1 ALA 6 4.875 4.493 3.911
41 HB2 ALA 6 HB2 ALA 6 4.320 2.819 3.957
42 HB3 ALA 6 HB3 ALA 6 4.728 3.570 2.415
43 H GLN 7 HN GLN 7 5.880 0.596 3.937
44 HA GLN 7 HA GLN 7 6.580 0.584 6.849
45 HB2 GLN 7 HB2 GLN 7 4.241 0.062 6.228
46 HB3 GLN 7 HB1 GLN 7 4.811 -1.222 5.161
47 HG2 GLN 7 HG2 GLN 7 4.137 -2.240 7.251
48 HG3 GLN 7 HG1 GLN 7 5.898 -2.299 7.162
49 HE21 GLN 7 HE21 GLN 7 6.680 -1.905 9.241
50 HE22 GLN 7 HE22 GLN 7 6.126 -0.674 10.270
51 H GLY 8 HN GLY 8 7.372 -0.670 3.708
52 HA2 GLY 8 HA2 GLY 8 9.432 -1.782 3.191
53 HA3 GLY 8 HA1 GLY 8 9.589 -2.231 4.891
54 H MET 9 HN MET 9 6.990 -2.711 2.478
55 HA MET 9 HA MET 9 6.945 -5.602 3.264
56 HB2 MET 9 HB2 MET 9 4.879 -3.721 2.080
57 HB3 MET 9 HB1 MET 9 4.597 -5.440 2.361
58 HG2 MET 9 HG2 MET 9 5.187 -5.069 4.780
59 HG3 MET 9 HG1 MET 9 5.241 -3.338 4.446
60 HE1 MET 9 HE1 MET 9 2.424 -2.741 2.519
61 HE2 MET 9 HE2 MET 9 3.709 -2.054 3.507
62 HE3 MET 9 HE3 MET 9 2.044 -2.005 4.081
63 HN1 NH2 10 H1 NH2 10 8.391 -6.546 1.705
64 HN2 NH2 10 H2 NH2 10 8.164 -6.419 0.029
Start of MODEL 20
1 H1 SER 1 HT1 SER 1 4.608 0.578 -4.569
2 H2 SER 1 HT2 SER 1 5.767 1.172 -5.659
3 H3 SER 1 HT3 SER 1 4.193 0.823 -6.194
4 HA SER 1 HA SER 1 4.520 3.227 -5.928
5 HB2 SER 1 HB2 SER 1 2.509 3.405 -4.339
6 HB3 SER 1 HB1 SER 1 2.311 2.340 -5.728
7 HG SER 1 HG SER 1 2.091 1.739 -3.170
8 H VAL 2 HN VAL 2 4.251 4.882 -3.986
9 HA VAL 2 HA VAL 2 6.647 4.847 -2.425
10 HB VAL 2 HB VAL 2 4.031 6.353 -2.086
11 HG11 VAL 2 HG11 VAL 2 5.089 6.882 -0.112
12 HG12 VAL 2 HG12 VAL 2 5.902 8.041 -1.163
13 HG13 VAL 2 HG13 VAL 2 6.691 6.520 -0.751
14 HG21 VAL 2 HG21 VAL 2 5.473 6.422 -4.299
15 HG22 VAL 2 HG22 VAL 2 6.532 7.450 -3.335
16 HG23 VAL 2 HG23 VAL 2 4.853 7.920 -3.605
17 H ALA 3 HN ALA 3 3.244 4.334 -1.416
18 HA ALA 3 HA ALA 3 3.770 3.687 1.307
19 HB1 ALA 3 HB1 ALA 3 1.504 3.302 1.320
20 HB2 ALA 3 HB2 ALA 3 1.570 2.291 -0.123
21 HB3 ALA 3 HB3 ALA 3 1.594 4.048 -0.275
22 H GLY 4 HN GLY 4 4.388 1.885 -1.582
23 HA2 GLY 4 HA2 GLY 4 4.159 -0.783 -0.596
24 HA3 GLY 4 HA1 GLY 4 5.212 -0.285 -1.921
25 H ARG 5 HN ARG 5 6.772 1.601 -0.378
26 HA ARG 5 HA ARG 5 8.360 -0.349 1.245
27 HB2 ARG 5 HB2 ARG 5 9.055 2.198 -0.243
28 HB3 ARG 5 HB1 ARG 5 10.207 1.295 0.741
29 HG2 ARG 5 HG2 ARG 5 10.648 0.148 -1.166
30 HG3 ARG 5 HG1 ARG 5 9.130 -0.688 -0.835
31 HD2 ARG 5 HD2 ARG 5 8.467 0.081 -2.877
32 HD3 ARG 5 HD1 ARG 5 8.301 1.661 -2.085
33 HE ARG 5 HE ARG 5 11.011 1.484 -2.653
34 HH11 ARG 5 HH21 ARG 5 8.072 1.201 -4.479
35 HH12 ARG 5 HH22 ARG 5 8.787 1.784 -5.942
36 HH21 ARG 5 HH11 ARG 5 11.929 2.241 -4.562
37 HH22 ARG 5 HH12 ARG 5 10.959 2.370 -5.991
38 H ALA 6 HN ALA 6 6.349 2.407 1.538
39 HA ALA 6 HA ALA 6 7.496 3.964 3.577
40 HB1 ALA 6 HB1 ALA 6 5.362 4.402 2.394
41 HB2 ALA 6 HB2 ALA 6 5.138 4.470 4.143
42 HB3 ALA 6 HB3 ALA 6 4.619 3.046 3.242
43 H GLN 7 HN GLN 7 5.965 0.793 3.764
44 HA GLN 7 HA GLN 7 6.489 0.709 6.712
45 HB2 GLN 7 HB2 GLN 7 4.154 0.389 5.895
46 HB3 GLN 7 HB1 GLN 7 4.702 -0.986 4.933
47 HG2 GLN 7 HG2 GLN 7 3.789 -1.856 6.994
48 HG3 GLN 7 HG1 GLN 7 5.542 -2.038 7.067
49 HE21 GLN 7 HE21 GLN 7 2.799 -0.225 8.381
50 HE22 GLN 7 HE22 GLN 7 3.664 0.512 9.643
51 H GLY 8 HN GLY 8 7.264 -0.703 3.610
52 HA2 GLY 8 HA2 GLY 8 9.342 -1.922 3.280
53 HA3 GLY 8 HA1 GLY 8 9.246 -2.469 4.955
54 H MET 9 HN MET 9 6.862 -2.539 2.291
55 HA MET 9 HA MET 9 6.655 -5.505 2.712
56 HB2 MET 9 HB2 MET 9 4.553 -3.427 2.016
57 HB3 MET 9 HB1 MET 9 4.249 -5.160 2.130
58 HG2 MET 9 HG2 MET 9 5.411 -3.540 4.408
59 HG3 MET 9 HG1 MET 9 3.682 -3.831 4.219
60 HE1 MET 9 HE1 MET 9 3.293 -6.684 6.389
61 HE2 MET 9 HE2 MET 9 2.537 -5.532 5.292
62 HE3 MET 9 HE3 MET 9 3.571 -4.949 6.595
63 HN1 NH2 10 H1 NH2 10 8.385 -5.485 0.870
64 HN2 NH2 10 H2 NH2 10 7.818 -5.364 -0.725