Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637027 | 6d2h RC | 30451 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 HT1 SER 1 1.544 2.332 4.546
2 H2 SER 1 HT2 SER 1 0.315 2.448 3.380
3 H3 SER 1 HT3 SER 1 1.952 2.521 2.914
4 HA SER 1 HA SER 1 1.716 0.159 4.282
5 HB2 SER 1 HB2 SER 1 -0.139 -0.828 2.706
6 HB3 SER 1 HB1 SER 1 -0.629 0.019 4.174
7 HG SER 1 HG SER 1 -1.709 0.704 2.189
8 H ARG 2 HN ARG 2 0.690 0.969 0.981
9 HA ARG 2 HA ARG 2 2.407 -0.808 -0.316
10 HB2 ARG 2 HB2 ARG 2 0.395 0.366 -1.298
11 HB3 ARG 2 HB1 ARG 2 1.405 1.796 -1.475
12 HG2 ARG 2 HG2 ARG 2 3.054 0.172 -2.703
13 HG3 ARG 2 HG1 ARG 2 1.643 -0.843 -2.865
14 HD2 ARG 2 HD2 ARG 2 1.901 0.605 -4.832
15 HD3 ARG 2 HD1 ARG 2 0.411 0.968 -3.958
16 HE ARG 2 HE ARG 2 1.308 3.009 -3.332
17 HH11 ARG 2 HH11 ARG 2 2.961 4.409 -2.967
18 HH12 ARG 2 HH12 ARG 2 4.553 4.121 -3.584
19 HH21 ARG 2 HH21 ARG 2 3.694 1.002 -4.852
20 HH22 ARG 2 HH22 ARG 2 4.982 2.143 -4.651
21 H PHE 3 HN PHE 3 2.806 2.662 0.306
22 HA PHE 3 HA PHE 3 5.157 3.080 -1.109
23 HB2 PHE 3 HB2 PHE 3 3.774 4.402 1.146
24 HB3 PHE 3 HB1 PHE 3 5.464 4.831 0.896
25 HD1 PHE 3 HD1 PHE 3 6.211 5.368 -1.507
26 HD2 PHE 3 HD2 PHE 3 2.113 5.302 -0.245
27 HE1 PHE 3 HE1 PHE 3 5.579 6.654 -3.521
28 HE2 PHE 3 HE2 PHE 3 1.475 6.595 -2.265
29 HZ PHE 3 HZ PHE 3 3.222 7.239 -3.893
30 H GLU 4 HN GLU 4 4.787 2.154 2.330
31 HA GLU 4 HA GLU 4 7.519 2.200 2.944
32 HB2 GLU 4 HB2 GLU 4 5.418 0.454 4.226
33 HB3 GLU 4 HB1 GLU 4 6.904 1.048 4.951
34 HG2 GLU 4 HG2 GLU 4 5.505 2.667 5.773
35 HG3 GLU 4 HG1 GLU 4 5.841 3.409 4.207
36 H LEU 5 HN LEU 5 5.477 -0.439 1.721
37 HA LEU 5 HA LEU 5 7.299 -2.529 2.068
38 HB2 LEU 5 HB2 LEU 5 4.961 -1.977 0.323
39 HB3 LEU 5 HB1 LEU 5 6.040 -3.257 -0.200
40 HG LEU 5 HG LEU 5 5.660 -3.581 2.600
41 HD11 LEU 5 HD11 LEU 5 3.054 -4.093 2.135
42 HD12 LEU 5 HD12 LEU 5 3.262 -2.682 1.096
43 HD13 LEU 5 HD13 LEU 5 3.625 -2.575 2.819
44 HD21 LEU 5 HD21 LEU 5 6.124 -5.331 0.860
45 HD22 LEU 5 HD22 LEU 5 4.464 -5.155 0.296
46 HD23 LEU 5 HD23 LEU 5 4.785 -5.745 1.927
47 H ILE 6 HN ILE 6 7.106 0.037 -0.261
48 HA ILE 6 HA ILE 6 9.144 -1.079 -1.965
49 HB ILE 6 HB ILE 6 7.973 1.705 -2.044
50 HG12 ILE 6 HG12 ILE 6 6.064 0.352 -2.242
51 HG13 ILE 6 HG11 ILE 6 6.555 0.578 -3.916
52 HG21 ILE 6 HG21 ILE 6 9.926 1.510 -3.439
53 HG22 ILE 6 HG22 ILE 6 8.536 1.383 -4.515
54 HG23 ILE 6 HG23 ILE 6 9.418 -0.068 -4.039
55 HD11 ILE 6 HD11 ILE 6 7.924 -1.597 -3.580
56 HD12 ILE 6 HD12 ILE 6 6.179 -1.739 -3.770
57 HD13 ILE 6 HD13 ILE 6 6.902 -1.851 -2.166
58 H VAL 7 HN VAL 7 8.744 1.779 0.090
59 HA VAL 7 HA VAL 7 11.348 2.795 -0.145
60 HB VAL 7 HB VAL 7 9.583 2.977 2.317
61 HG11 VAL 7 HG11 VAL 7 11.604 4.941 1.184
62 HG12 VAL 7 HG12 VAL 7 11.971 3.803 2.481
63 HG13 VAL 7 HG13 VAL 7 10.757 5.058 2.725
64 HG21 VAL 7 HG21 VAL 7 8.134 4.197 1.095
65 HG22 VAL 7 HG22 VAL 7 9.057 3.821 -0.359
66 HG23 VAL 7 HG23 VAL 7 9.437 5.263 0.581
67 H HIS 8 HN HIS 8 10.154 0.067 1.606
68 HA HIS 8 HA HIS 8 11.957 -0.229 3.677
69 HB2 HIS 8 HB2 HIS 8 10.563 -1.999 3.797
70 HB3 HIS 8 HB1 HIS 8 10.284 -2.012 2.059
71 HD2 HIS 8 HD2 HIS 8 11.987 -4.204 4.609
72 HE1 HIS 8 HE1 HIS 8 13.924 -5.060 0.956
73 HE2 HIS 8 HE2 HIS 8 13.589 -5.842 3.351
74 H GLN 9 HN GLN 9 12.559 -0.489 0.247
75 HA GLN 9 HA GLN 9 15.017 -1.916 0.438
76 HB2 GLN 9 HB2 GLN 9 15.348 -1.279 -1.901
77 HB3 GLN 9 HB1 GLN 9 13.691 -1.816 -1.653
78 HG2 GLN 9 HG2 GLN 9 13.012 0.129 -2.556
79 HG3 GLN 9 HG1 GLN 9 13.611 0.927 -1.104
80 HE21 GLN 9 HE21 GLN 9 16.468 0.026 -1.943
81 HE22 GLN 9 HE22 GLN 9 16.895 1.152 -3.138
82 H ARG 10 HN ARG 10 14.106 1.321 1.096
83 HA ARG 10 HA ARG 10 15.293 3.272 1.430
84 HB2 ARG 10 HB2 ARG 10 16.778 1.090 2.827
85 HB3 ARG 10 HB1 ARG 10 17.519 2.684 2.754
86 HG2 ARG 10 HG2 ARG 10 16.272 2.995 4.667
87 HG3 ARG 10 HG1 ARG 10 15.055 3.459 3.482
88 HD2 ARG 10 HD2 ARG 10 14.478 1.689 5.368
89 HD3 ARG 10 HD1 ARG 10 13.851 1.497 3.735
90 HE ARG 10 HE ARG 10 15.109 -0.431 3.560
91 HH11 ARG 10 HH11 ARG 10 16.770 -1.876 4.149
92 HH12 ARG 10 HH12 ARG 10 17.867 -1.461 5.425
93 HH21 ARG 10 HH21 ARG 10 16.404 1.629 6.032
94 HH22 ARG 10 HH22 ARG 10 17.654 0.528 6.499
95 HN1 NH2 11 H1 ARG 10 15.696 2.745 -1.207
96 HN2 NH2 11 H2 ARG 10 17.321 2.977 -1.640
Start of MODEL 2
1 H1 SER 1 HT1 SER 1 1.283 2.244 4.050
2 H2 SER 1 HT2 SER 1 -0.047 1.189 3.923
3 H3 SER 1 HT3 SER 1 0.776 1.697 2.529
4 HA SER 1 HA SER 1 2.585 0.514 4.334
5 HB2 SER 1 HB2 SER 1 0.865 -1.661 3.455
6 HB3 SER 1 HB1 SER 1 1.513 -1.321 5.053
7 HG SER 1 HG SER 1 -0.688 -1.104 5.194
8 H ARG 2 HN ARG 2 0.691 0.449 1.350
9 HA ARG 2 HA ARG 2 2.256 -1.268 -0.180
10 HB2 ARG 2 HB2 ARG 2 0.013 0.093 -0.661
11 HB3 ARG 2 HB1 ARG 2 1.144 1.174 -1.470
12 HG2 ARG 2 HG2 ARG 2 2.078 -0.983 -2.575
13 HG3 ARG 2 HG1 ARG 2 0.571 -1.707 -2.063
14 HD2 ARG 2 HD2 ARG 2 0.347 -0.835 -4.347
15 HD3 ARG 2 HD1 ARG 2 -0.704 0.040 -3.232
16 HE ARG 2 HE ARG 2 0.663 1.911 -3.443
17 HH11 ARG 2 HH11 ARG 2 2.541 2.913 -3.999
18 HH12 ARG 2 HH12 ARG 2 3.690 2.160 -5.054
19 HH21 ARG 2 HH21 ARG 2 1.888 -0.817 -5.190
20 HH22 ARG 2 HH22 ARG 2 3.331 -0.013 -5.710
21 H PHE 3 HN PHE 3 2.519 2.293 0.076
22 HA PHE 3 HA PHE 3 4.852 2.415 -1.562
23 HB2 PHE 3 HB2 PHE 3 3.231 4.301 0.012
24 HB3 PHE 3 HB1 PHE 3 4.940 4.729 -0.138
25 HD1 PHE 3 HD1 PHE 3 6.008 4.402 -2.479
26 HD2 PHE 3 HD2 PHE 3 1.782 4.752 -1.793
27 HE1 PHE 3 HE1 PHE 3 5.676 4.944 -4.862
28 HE2 PHE 3 HE2 PHE 3 1.448 5.313 -4.192
29 HZ PHE 3 HZ PHE 3 3.407 5.380 -5.709
30 H GLU 4 HN GLU 4 4.268 2.119 1.886
31 HA GLU 4 HA GLU 4 6.805 2.711 2.871
32 HB2 GLU 4 HB2 GLU 4 4.670 0.814 3.874
33 HB3 GLU 4 HB1 GLU 4 6.098 1.265 4.794
34 HG2 GLU 4 HG2 GLU 4 4.682 2.898 5.581
35 HG3 GLU 4 HG1 GLU 4 5.271 3.728 4.144
36 H LEU 5 HN LEU 5 5.496 -0.286 1.502
37 HA LEU 5 HA LEU 5 7.674 -1.941 2.195
38 HB2 LEU 5 HB2 LEU 5 5.607 -2.057 0.001
39 HB3 LEU 5 HB1 LEU 5 6.789 -3.321 0.286
40 HG LEU 5 HG LEU 5 5.401 -2.446 2.727
41 HD11 LEU 5 HD11 LEU 5 3.768 -4.126 0.849
42 HD12 LEU 5 HD12 LEU 5 3.698 -2.369 0.725
43 HD13 LEU 5 HD13 LEU 5 3.247 -3.160 2.231
44 HD21 LEU 5 HD21 LEU 5 6.950 -4.499 2.230
45 HD22 LEU 5 HD22 LEU 5 5.490 -5.222 1.555
46 HD23 LEU 5 HD23 LEU 5 5.532 -4.737 3.249
47 H ILE 6 HN ILE 6 7.094 0.348 -0.365
48 HA ILE 6 HA ILE 6 9.214 -0.491 -2.082
49 HB ILE 6 HB ILE 6 8.103 2.304 -1.958
50 HG12 ILE 6 HG12 ILE 6 6.138 0.926 -1.827
51 HG13 ILE 6 HG11 ILE 6 6.287 1.436 -3.505
52 HG21 ILE 6 HG21 ILE 6 8.559 2.306 -4.311
53 HG22 ILE 6 HG22 ILE 6 8.763 0.556 -4.345
54 HG23 ILE 6 HG23 ILE 6 9.975 1.570 -3.560
55 HD11 ILE 6 HD11 ILE 6 7.512 -0.734 -3.946
56 HD12 ILE 6 HD12 ILE 6 5.807 -0.915 -3.528
57 HD13 ILE 6 HD13 ILE 6 7.047 -1.246 -2.323
58 H VAL 7 HN VAL 7 8.818 2.284 0.113
59 HA VAL 7 HA VAL 7 11.476 3.208 -0.090
60 HB VAL 7 HB VAL 7 11.027 4.381 2.048
61 HG11 VAL 7 HG11 VAL 7 10.191 5.287 -0.120
62 HG12 VAL 7 HG12 VAL 7 9.152 5.726 1.234
63 HG13 VAL 7 HG13 VAL 7 8.668 4.433 0.136
64 HG21 VAL 7 HG21 VAL 7 8.493 2.724 1.973
65 HG22 VAL 7 HG22 VAL 7 8.741 4.103 3.041
66 HG23 VAL 7 HG23 VAL 7 9.746 2.663 3.210
67 H HIS 8 HN HIS 8 10.057 0.573 1.627
68 HA HIS 8 HA HIS 8 11.914 0.101 3.659
69 HB2 HIS 8 HB2 HIS 8 9.696 -1.139 3.070
70 HB3 HIS 8 HB1 HIS 8 10.720 -2.140 2.043
71 HD2 HIS 8 HD2 HIS 8 12.177 -4.078 3.420
72 HE1 HIS 8 HE1 HIS 8 11.405 -2.679 7.332
73 HE2 HIS 8 HE2 HIS 8 12.461 -4.559 5.974
74 H GLN 9 HN GLN 9 12.301 0.042 0.276
75 HA GLN 9 HA GLN 9 14.180 -1.957 -0.155
76 HB2 GLN 9 HB2 GLN 9 14.950 -0.561 -2.061
77 HB3 GLN 9 HB1 GLN 9 13.192 -0.677 -1.982
78 HG2 GLN 9 HG2 GLN 9 13.483 1.521 -0.487
79 HG3 GLN 9 HG1 GLN 9 14.960 1.670 -1.433
80 HE21 GLN 9 HE21 GLN 9 13.758 0.376 -3.845
81 HE22 GLN 9 HE22 GLN 9 12.686 1.523 -4.492
82 H ARG 10 HN ARG 10 14.690 1.366 1.009
83 HA ARG 10 HA ARG 10 16.584 2.417 1.809
84 HB2 ARG 10 HB2 ARG 10 16.470 -0.264 3.133
85 HB3 ARG 10 HB1 ARG 10 17.895 0.738 3.395
86 HG2 ARG 10 HG2 ARG 10 16.523 1.494 5.114
87 HG3 ARG 10 HG1 ARG 10 16.125 2.641 3.833
88 HD2 ARG 10 HD2 ARG 10 14.080 1.745 4.912
89 HD3 ARG 10 HD1 ARG 10 14.166 1.310 3.213
90 HE ARG 10 HE ARG 10 14.344 -0.924 3.820
91 HH11 ARG 10 HH11 ARG 10 14.376 -2.604 5.357
92 HH12 ARG 10 HH12 ARG 10 14.647 -2.246 7.032
93 HH21 ARG 10 HH21 ARG 10 14.958 1.178 6.507
94 HH22 ARG 10 HH22 ARG 10 14.980 -0.089 7.683
95 HN1 NH2 11 H1 ARG 10 17.223 1.942 -0.748
96 HN2 NH2 11 H2 ARG 10 18.760 1.239 -0.915
Start of MODEL 3
1 H1 SER 1 HT1 SER 1 2.471 0.156 5.407
2 H2 SER 1 HT2 SER 1 3.692 0.313 4.239
3 H3 SER 1 HT3 SER 1 3.472 -1.163 5.048
4 HA SER 1 HA SER 1 1.679 -1.749 3.833
5 HB2 SER 1 HB2 SER 1 0.966 0.909 2.786
6 HB3 SER 1 HB1 SER 1 -0.054 -0.356 3.446
7 HG SER 1 HG SER 1 1.407 1.665 4.781
8 H ARG 2 HN ARG 2 0.976 -0.605 1.307
9 HA ARG 2 HA ARG 2 2.920 -1.708 -0.339
10 HB2 ARG 2 HB2 ARG 2 0.449 -1.099 -0.823
11 HB3 ARG 2 HB1 ARG 2 1.093 0.466 -1.303
12 HG2 ARG 2 HG2 ARG 2 2.720 -0.829 -2.812
13 HG3 ARG 2 HG1 ARG 2 1.694 -2.216 -2.516
14 HD2 ARG 2 HD2 ARG 2 0.981 -1.081 -4.569
15 HD3 ARG 2 HD1 ARG 2 -0.270 -0.970 -3.327
16 HE ARG 2 HE ARG 2 0.164 1.300 -3.109
17 HH11 ARG 2 HH11 ARG 2 1.342 3.109 -3.425
18 HH12 ARG 2 HH12 ARG 2 2.636 3.169 -4.579
19 HH21 ARG 2 HH21 ARG 2 2.388 -0.228 -5.298
20 HH22 ARG 2 HH22 ARG 2 3.254 1.230 -5.642
21 H PHE 3 HN PHE 3 2.329 1.772 0.258
22 HA PHE 3 HA PHE 3 4.440 2.620 -1.457
23 HB2 PHE 3 HB2 PHE 3 2.397 3.873 -0.024
24 HB3 PHE 3 HB1 PHE 3 3.900 4.550 0.615
25 HD1 PHE 3 HD1 PHE 3 5.765 5.023 -1.213
26 HD2 PHE 3 HD2 PHE 3 1.554 4.752 -2.014
27 HE1 PHE 3 HE1 PHE 3 6.099 6.214 -3.365
28 HE2 PHE 3 HE2 PHE 3 1.885 5.948 -4.150
29 HZ PHE 3 HZ PHE 3 4.154 6.659 -4.819
30 H GLU 4 HN GLU 4 4.317 2.112 2.071
31 HA GLU 4 HA GLU 4 6.815 3.180 2.682
32 HB2 GLU 4 HB2 GLU 4 5.389 0.862 3.991
33 HB3 GLU 4 HB1 GLU 4 6.702 1.793 4.695
34 HG2 GLU 4 HG2 GLU 4 5.011 3.037 5.588
35 HG3 GLU 4 HG1 GLU 4 5.014 3.812 4.004
36 H LEU 5 HN LEU 5 5.986 0.012 1.316
37 HA LEU 5 HA LEU 5 8.370 -1.343 1.836
38 HB2 LEU 5 HB2 LEU 5 6.315 -1.483 -0.352
39 HB3 LEU 5 HB1 LEU 5 7.742 -2.503 -0.381
40 HG LEU 5 HG LEU 5 6.449 -2.470 2.237
41 HD11 LEU 5 HD11 LEU 5 4.362 -3.248 1.735
42 HD12 LEU 5 HD12 LEU 5 4.899 -4.050 0.261
43 HD13 LEU 5 HD13 LEU 5 4.613 -2.311 0.266
44 HD21 LEU 5 HD21 LEU 5 7.676 -4.383 0.313
45 HD22 LEU 5 HD22 LEU 5 6.458 -5.053 1.397
46 HD23 LEU 5 HD23 LEU 5 7.884 -4.257 2.059
47 H ILE 6 HN ILE 6 7.456 0.825 -0.793
48 HA ILE 6 HA ILE 6 9.646 0.502 -2.464
49 HB ILE 6 HB ILE 6 8.349 3.174 -1.937
50 HG12 ILE 6 HG12 ILE 6 6.475 1.680 -2.020
51 HG13 ILE 6 HG11 ILE 6 6.613 2.390 -3.625
52 HG21 ILE 6 HG21 ILE 6 8.569 3.307 -4.443
53 HG22 ILE 6 HG22 ILE 6 9.450 1.781 -4.393
54 HG23 ILE 6 HG23 ILE 6 10.109 3.206 -3.592
55 HD11 ILE 6 HD11 ILE 6 7.908 0.398 -4.354
56 HD12 ILE 6 HD12 ILE 6 6.262 0.007 -3.854
57 HD13 ILE 6 HD13 ILE 6 7.613 -0.329 -2.775
58 H VAL 7 HN VAL 7 9.214 2.885 0.129
59 HA VAL 7 HA VAL 7 11.955 3.777 -0.042
60 HB VAL 7 HB VAL 7 11.357 5.084 2.027
61 HG11 VAL 7 HG11 VAL 7 9.330 5.338 -0.211
62 HG12 VAL 7 HG12 VAL 7 10.995 5.909 -0.326
63 HG13 VAL 7 HG13 VAL 7 9.898 6.617 0.861
64 HG21 VAL 7 HG21 VAL 7 9.688 3.527 2.952
65 HG22 VAL 7 HG22 VAL 7 8.647 3.797 1.556
66 HG23 VAL 7 HG23 VAL 7 8.967 5.113 2.682
67 H HIS 8 HN HIS 8 10.066 1.672 2.068
68 HA HIS 8 HA HIS 8 12.019 1.263 4.062
69 HB2 HIS 8 HB2 HIS 8 9.672 0.747 4.412
70 HB3 HIS 8 HB1 HIS 8 9.735 -0.502 3.169
71 HD2 HIS 8 HD2 HIS 8 11.728 0.103 6.581
72 HE1 HIS 8 HE1 HIS 8 10.978 -4.029 6.080
73 HE2 HIS 8 HE2 HIS 8 11.955 -2.276 7.647
74 H GLN 9 HN GLN 9 11.363 -0.524 1.046
75 HA GLN 9 HA GLN 9 12.907 -2.780 1.508
76 HB2 GLN 9 HB2 GLN 9 13.134 -2.970 -0.926
77 HB3 GLN 9 HB1 GLN 9 11.494 -2.512 -0.472
78 HG2 GLN 9 HG2 GLN 9 11.635 -0.664 -1.732
79 HG3 GLN 9 HG1 GLN 9 13.033 -0.120 -0.807
80 HE21 GLN 9 HE21 GLN 9 12.024 -1.334 -3.871
81 HE22 GLN 9 HE22 GLN 9 13.572 -1.558 -4.527
82 H ARG 10 HN ARG 10 13.976 0.464 0.749
83 HA ARG 10 HA ARG 10 16.654 -0.257 0.098
84 HB2 ARG 10 HB2 ARG 10 15.231 2.295 0.714
85 HB3 ARG 10 HB1 ARG 10 16.994 2.257 0.667
86 HG2 ARG 10 HG2 ARG 10 15.687 0.836 -1.569
87 HG3 ARG 10 HG1 ARG 10 15.400 2.564 -1.536
88 HD2 ARG 10 HD2 ARG 10 18.195 1.868 -0.982
89 HD3 ARG 10 HD1 ARG 10 17.655 1.334 -2.562
90 HE ARG 10 HE ARG 10 17.359 3.570 -3.215
91 HH11 ARG 10 HH11 ARG 10 17.805 5.786 -2.930
92 HH12 ARG 10 HH12 ARG 10 18.322 6.374 -1.386
93 HH21 ARG 10 HH21 ARG 10 18.342 3.252 0.108
94 HH22 ARG 10 HH22 ARG 10 18.631 4.946 0.323
95 HN1 NH2 11 H1 ARG 10 15.134 -0.674 2.991
96 HN2 NH2 11 H2 ARG 10 16.444 -0.410 4.039
Start of MODEL 4
1 H1 SER 1 HT1 SER 1 2.039 2.381 2.910
2 H2 SER 1 HT2 SER 1 1.373 2.321 4.467
3 H3 SER 1 HT3 SER 1 0.355 2.376 3.099
4 HA SER 1 HA SER 1 1.605 0.131 4.355
5 HB2 SER 1 HB2 SER 1 -0.176 -0.868 2.613
6 HB3 SER 1 HB1 SER 1 -0.693 -0.089 4.106
7 HG SER 1 HG SER 1 -1.814 0.971 2.567
8 H ARG 2 HN ARG 2 0.693 0.367 0.970
9 HA ARG 2 HA ARG 2 2.639 -1.399 0.021
10 HB2 ARG 2 HB2 ARG 2 0.514 -0.634 -1.144
11 HB3 ARG 2 HB1 ARG 2 1.396 0.818 -1.616
12 HG2 ARG 2 HG2 ARG 2 3.196 -0.897 -2.479
13 HG3 ARG 2 HG1 ARG 2 1.851 -2.015 -2.453
14 HD2 ARG 2 HD2 ARG 2 2.081 -0.913 -4.662
15 HD3 ARG 2 HD1 ARG 2 0.535 -0.570 -3.894
16 HE ARG 2 HE ARG 2 1.229 1.619 -3.505
17 HH11 ARG 2 HH11 ARG 2 2.741 3.220 -3.493
18 HH12 ARG 2 HH12 ARG 2 4.285 3.015 -4.247
19 HH21 ARG 2 HH21 ARG 2 3.660 -0.310 -5.049
20 HH22 ARG 2 HH22 ARG 2 4.825 0.970 -5.120
21 H PHE 3 HN PHE 3 2.648 2.146 0.067
22 HA PHE 3 HA PHE 3 5.013 2.545 -1.355
23 HB2 PHE 3 HB2 PHE 3 3.269 4.144 0.322
24 HB3 PHE 3 HB1 PHE 3 4.969 4.606 0.498
25 HD1 PHE 3 HD1 PHE 3 2.079 4.820 -1.608
26 HD2 PHE 3 HD2 PHE 3 6.380 4.752 -1.661
27 HE1 PHE 3 HE1 PHE 3 2.081 5.755 -3.902
28 HE2 PHE 3 HE2 PHE 3 6.370 5.694 -3.945
29 HZ PHE 3 HZ PHE 3 4.223 6.177 -5.057
30 H GLU 4 HN GLU 4 4.541 1.956 2.124
31 HA GLU 4 HA GLU 4 7.137 2.485 2.980
32 HB2 GLU 4 HB2 GLU 4 5.043 0.543 3.962
33 HB3 GLU 4 HB1 GLU 4 6.561 0.830 4.805
34 HG2 GLU 4 HG2 GLU 4 5.320 2.446 5.858
35 HG3 GLU 4 HG1 GLU 4 5.789 3.390 4.445
36 H LEU 5 HN LEU 5 5.738 -0.465 1.557
37 HA LEU 5 HA LEU 5 7.939 -2.154 1.960
38 HB2 LEU 5 HB2 LEU 5 5.732 -2.047 -0.088
39 HB3 LEU 5 HB1 LEU 5 6.991 -3.264 -0.157
40 HG LEU 5 HG LEU 5 5.970 -3.039 2.540
41 HD11 LEU 5 HD11 LEU 5 3.732 -4.114 1.947
42 HD12 LEU 5 HD12 LEU 5 4.002 -3.545 0.300
43 HD13 LEU 5 HD13 LEU 5 3.863 -2.385 1.622
44 HD21 LEU 5 HD21 LEU 5 5.958 -5.283 0.500
45 HD22 LEU 5 HD22 LEU 5 5.677 -5.471 2.232
46 HD23 LEU 5 HD23 LEU 5 7.255 -4.945 1.646
47 H ILE 6 HN ILE 6 7.221 0.314 -0.394
48 HA ILE 6 HA ILE 6 9.373 -0.269 -2.166
49 HB ILE 6 HB ILE 6 8.085 2.434 -1.874
50 HG12 ILE 6 HG12 ILE 6 6.206 0.919 -1.807
51 HG13 ILE 6 HG11 ILE 6 6.299 1.568 -3.444
52 HG21 ILE 6 HG21 ILE 6 9.982 1.831 -3.542
53 HG22 ILE 6 HG22 ILE 6 8.563 2.663 -4.174
54 HG23 ILE 6 HG23 ILE 6 8.738 0.926 -4.404
55 HD11 ILE 6 HD11 ILE 6 7.507 -0.460 -4.171
56 HD12 ILE 6 HD12 ILE 6 5.931 -0.863 -3.497
57 HD13 ILE 6 HD13 ILE 6 7.391 -1.113 -2.539
58 H VAL 7 HN VAL 7 8.781 2.236 0.271
59 HA VAL 7 HA VAL 7 11.337 3.418 0.148
60 HB VAL 7 HB VAL 7 9.708 3.274 2.684
61 HG11 VAL 7 HG11 VAL 7 10.510 5.674 2.779
62 HG12 VAL 7 HG12 VAL 7 11.506 5.326 1.366
63 HG13 VAL 7 HG13 VAL 7 11.789 4.465 2.880
64 HG21 VAL 7 HG21 VAL 7 8.984 4.477 0.058
65 HG22 VAL 7 HG22 VAL 7 8.761 5.511 1.468
66 HG23 VAL 7 HG23 VAL 7 7.944 3.952 1.382
67 H HIS 8 HN HIS 8 10.045 0.797 2.154
68 HA HIS 8 HA HIS 8 12.216 0.407 3.843
69 HB2 HIS 8 HB2 HIS 8 9.974 -0.751 3.953
70 HB3 HIS 8 HB1 HIS 8 10.545 -1.824 2.674
71 HD2 HIS 8 HD2 HIS 8 13.390 -0.990 5.135
72 HE1 HIS 8 HE1 HIS 8 11.800 -4.702 6.378
73 HE2 HIS 8 HE2 HIS 8 13.726 -3.071 6.680
74 H GLN 9 HN GLN 9 12.061 -0.107 0.427
75 HA GLN 9 HA GLN 9 13.946 -2.194 0.191
76 HB2 GLN 9 HB2 GLN 9 14.037 -1.695 -2.093
77 HB3 GLN 9 HB1 GLN 9 12.433 -1.136 -1.632
78 HG2 GLN 9 HG2 GLN 9 12.999 0.853 -2.537
79 HG3 GLN 9 HG1 GLN 9 14.068 1.081 -1.155
80 HE21 GLN 9 HE21 GLN 9 14.272 1.646 -4.251
81 HE22 GLN 9 HE22 GLN 9 15.825 1.069 -4.624
82 H ARG 10 HN ARG 10 14.283 1.043 1.215
83 HA ARG 10 HA ARG 10 16.069 2.356 1.726
84 HB2 ARG 10 HB2 ARG 10 16.846 -0.391 2.350
85 HB3 ARG 10 HB1 ARG 10 18.226 0.647 2.025
86 HG2 ARG 10 HG2 ARG 10 18.010 1.410 4.138
87 HG3 ARG 10 HG1 ARG 10 16.587 2.272 3.543
88 HD2 ARG 10 HD2 ARG 10 16.647 0.274 5.535
89 HD3 ARG 10 HD1 ARG 10 15.243 1.051 4.825
90 HE ARG 10 HE ARG 10 14.981 -0.807 3.357
91 HH11 ARG 10 HH11 ARG 10 15.137 -3.048 3.113
92 HH12 ARG 10 HH12 ARG 10 16.360 -3.933 3.967
93 HH21 ARG 10 HH21 ARG 10 17.653 -1.147 5.561
94 HH22 ARG 10 HH22 ARG 10 17.781 -2.859 5.341
95 HN1 NH2 11 H1 ARG 10 18.091 -0.077 0.084
96 HN2 NH2 11 H2 ARG 10 18.563 0.949 -1.182
Start of MODEL 5
1 H1 SER 1 HT1 SER 1 0.751 2.689 4.065
2 H2 SER 1 HT2 SER 1 -0.161 2.344 2.674
3 H3 SER 1 HT3 SER 1 1.509 2.614 2.545
4 HA SER 1 HA SER 1 1.512 0.618 4.277
5 HB2 SER 1 HB2 SER 1 -0.239 -0.885 2.767
6 HB3 SER 1 HB1 SER 1 -0.573 -0.238 4.370
7 HG SER 1 HG SER 1 -1.875 1.199 3.517
8 H ARG 2 HN ARG 2 0.426 0.595 0.888
9 HA ARG 2 HA ARG 2 2.291 -1.262 -0.031
10 HB2 ARG 2 HB2 ARG 2 0.156 -0.261 -1.149
11 HB3 ARG 2 HB1 ARG 2 1.267 0.943 -1.790
12 HG2 ARG 2 HG2 ARG 2 2.708 -1.129 -2.492
13 HG3 ARG 2 HG1 ARG 2 1.198 -1.994 -2.314
14 HD2 ARG 2 HD2 ARG 2 1.538 -1.163 -4.636
15 HD3 ARG 2 HD1 ARG 2 0.076 -0.531 -3.881
16 HE ARG 2 HE ARG 2 1.022 1.573 -3.881
17 HH11 ARG 2 HH11 ARG 2 2.690 2.979 -3.905
18 HH12 ARG 2 HH12 ARG 2 4.299 2.488 -4.318
19 HH21 ARG 2 HH21 ARG 2 3.396 -0.858 -4.569
20 HH22 ARG 2 HH22 ARG 2 4.706 0.271 -4.680
21 H PHE 3 HN PHE 3 2.455 2.311 -0.181
22 HA PHE 3 HA PHE 3 4.899 2.457 -1.558
23 HB2 PHE 3 HB2 PHE 3 3.109 4.317 -0.473
24 HB3 PHE 3 HB1 PHE 3 4.664 4.649 0.303
25 HD1 PHE 3 HD1 PHE 3 2.759 5.087 -2.665
26 HD2 PHE 3 HD2 PHE 3 6.758 4.532 -1.228
27 HE1 PHE 3 HE1 PHE 3 3.639 5.970 -4.797
28 HE2 PHE 3 HE2 PHE 3 7.648 5.427 -3.366
29 HZ PHE 3 HZ PHE 3 6.082 6.126 -5.140
30 H GLU 4 HN GLU 4 4.252 2.158 1.920
31 HA GLU 4 HA GLU 4 6.807 2.719 2.880
32 HB2 GLU 4 HB2 GLU 4 4.681 0.819 3.897
33 HB3 GLU 4 HB1 GLU 4 6.126 1.254 4.796
34 HG2 GLU 4 HG2 GLU 4 4.784 2.910 5.616
35 HG3 GLU 4 HG1 GLU 4 5.275 3.727 4.132
36 H LEU 5 HN LEU 5 5.469 -0.319 1.585
37 HA LEU 5 HA LEU 5 7.634 -1.989 2.224
38 HB2 LEU 5 HB2 LEU 5 5.619 -1.984 -0.025
39 HB3 LEU 5 HB1 LEU 5 6.807 -3.255 0.183
40 HG LEU 5 HG LEU 5 5.411 -2.624 2.670
41 HD11 LEU 5 HD11 LEU 5 3.875 -3.127 0.174
42 HD12 LEU 5 HD12 LEU 5 3.396 -2.283 1.645
43 HD13 LEU 5 HD13 LEU 5 3.384 -4.044 1.597
44 HD21 LEU 5 HD21 LEU 5 5.876 -4.806 3.028
45 HD22 LEU 5 HD22 LEU 5 6.739 -4.786 1.490
46 HD23 LEU 5 HD23 LEU 5 5.051 -5.292 1.549
47 H ILE 6 HN ILE 6 6.950 0.155 -0.488
48 HA ILE 6 HA ILE 6 9.218 -0.464 -2.045
49 HB ILE 6 HB ILE 6 7.944 2.268 -1.970
50 HG12 ILE 6 HG12 ILE 6 6.050 0.778 -1.913
51 HG13 ILE 6 HG11 ILE 6 6.245 1.275 -3.591
52 HG21 ILE 6 HG21 ILE 6 8.337 2.082 -4.425
53 HG22 ILE 6 HG22 ILE 6 9.040 0.484 -4.174
54 HG23 ILE 6 HG23 ILE 6 9.829 1.910 -3.502
55 HD11 ILE 6 HD11 ILE 6 7.729 -0.850 -3.801
56 HD12 ILE 6 HD12 ILE 6 5.977 -1.049 -3.765
57 HD13 ILE 6 HD13 ILE 6 6.930 -1.355 -2.313
58 H VAL 7 HN VAL 7 8.556 2.114 0.297
59 HA VAL 7 HA VAL 7 11.067 3.364 0.194
60 HB VAL 7 HB VAL 7 9.290 3.147 2.640
61 HG11 VAL 7 HG11 VAL 7 10.679 5.666 1.985
62 HG12 VAL 7 HG12 VAL 7 11.756 4.325 2.375
63 HG13 VAL 7 HG13 VAL 7 10.526 4.836 3.530
64 HG21 VAL 7 HG21 VAL 7 8.943 5.569 1.100
65 HG22 VAL 7 HG22 VAL 7 7.731 4.389 1.597
66 HG23 VAL 7 HG23 VAL 7 8.613 4.159 0.089
67 H HIS 8 HN HIS 8 10.012 0.424 1.694
68 HA HIS 8 HA HIS 8 12.283 0.194 3.448
69 HB2 HIS 8 HB2 HIS 8 10.138 -0.843 4.046
70 HB3 HIS 8 HB1 HIS 8 10.217 -1.849 2.605
71 HD2 HIS 8 HD2 HIS 8 10.645 -4.292 3.960
72 HE1 HIS 8 HE1 HIS 8 14.229 -3.149 5.873
73 HE2 HIS 8 HE2 HIS 8 12.685 -5.106 5.377
74 H GLN 9 HN GLN 9 11.184 -1.628 0.570
75 HA GLN 9 HA GLN 9 13.712 -2.957 0.327
76 HB2 GLN 9 HB2 GLN 9 12.711 -3.977 -1.698
77 HB3 GLN 9 HB1 GLN 9 11.703 -4.147 -0.266
78 HG2 GLN 9 HG2 GLN 9 10.007 -3.095 -1.305
79 HG3 GLN 9 HG1 GLN 9 11.022 -1.678 -1.554
80 HE21 GLN 9 HE21 GLN 9 12.962 -2.774 -3.340
81 HE22 GLN 9 HE22 GLN 9 12.184 -3.202 -4.787
82 H ARG 10 HN ARG 10 12.230 -0.156 -1.194
83 HA ARG 10 HA ARG 10 13.010 1.342 -2.723
84 HB2 ARG 10 HB2 ARG 10 15.469 0.349 -1.370
85 HB3 ARG 10 HB1 ARG 10 15.694 1.245 -2.875
86 HG2 ARG 10 HG2 ARG 10 15.618 3.033 -1.423
87 HG3 ARG 10 HG1 ARG 10 13.888 2.844 -1.721
88 HD2 ARG 10 HD2 ARG 10 14.216 2.999 0.663
89 HD3 ARG 10 HD1 ARG 10 13.751 1.350 0.266
90 HE ARG 10 HE ARG 10 16.541 1.402 0.272
91 HH11 ARG 10 HH11 ARG 10 17.689 0.784 2.137
92 HH12 ARG 10 HH12 ARG 10 16.902 0.798 3.681
93 HH21 ARG 10 HH21 ARG 10 13.862 1.931 2.433
94 HH22 ARG 10 HH22 ARG 10 14.740 1.450 3.855
95 HN1 NH2 11 H1 ARG 10 15.399 -1.305 -3.238
96 HN2 NH2 11 H2 ARG 10 14.995 -1.529 -4.874
Start of MODEL 6
1 H1 SER 1 HT1 SER 1 -0.562 0.234 4.361
2 H2 SER 1 HT2 SER 1 -0.040 -0.985 3.309
3 H3 SER 1 HT3 SER 1 -0.561 0.515 2.699
4 HA SER 1 HA SER 1 1.309 1.628 3.455
5 HB2 SER 1 HB2 SER 1 2.742 -0.453 4.828
6 HB3 SER 1 HB1 SER 1 2.200 1.102 5.439
7 HG SER 1 HG SER 1 1.145 -0.394 6.642
8 H ARG 2 HN ARG 2 0.809 0.459 1.087
9 HA ARG 2 HA ARG 2 2.702 -1.530 0.334
10 HB2 ARG 2 HB2 ARG 2 0.490 -0.945 -0.805
11 HB3 ARG 2 HB1 ARG 2 1.353 0.407 -1.532
12 HG2 ARG 2 HG2 ARG 2 3.121 -1.459 -2.169
13 HG3 ARG 2 HG1 ARG 2 1.739 -2.517 -1.962
14 HD2 ARG 2 HD2 ARG 2 2.031 -1.658 -4.310
15 HD3 ARG 2 HD1 ARG 2 0.455 -1.332 -3.582
16 HE ARG 2 HE ARG 2 1.004 0.920 -3.441
17 HH11 ARG 2 HH11 ARG 2 2.383 2.613 -3.554
18 HH12 ARG 2 HH12 ARG 2 3.988 2.450 -4.187
19 HH21 ARG 2 HH21 ARG 2 3.669 -0.984 -4.617
20 HH22 ARG 2 HH22 ARG 2 4.723 0.378 -4.799
21 H PHE 3 HN PHE 3 2.605 2.021 0.029
22 HA PHE 3 HA PHE 3 4.951 2.340 -1.498
23 HB2 PHE 3 HB2 PHE 3 3.102 4.050 -0.311
24 HB3 PHE 3 HB1 PHE 3 4.636 4.446 0.476
25 HD1 PHE 3 HD1 PHE 3 6.714 4.575 -1.031
26 HD2 PHE 3 HD2 PHE 3 2.698 4.887 -2.517
27 HE1 PHE 3 HE1 PHE 3 7.568 5.597 -3.109
28 HE2 PHE 3 HE2 PHE 3 3.564 5.921 -4.601
29 HZ PHE 3 HZ PHE 3 5.993 6.251 -4.885
30 H GLU 4 HN GLU 4 4.482 1.807 1.957
31 HA GLU 4 HA GLU 4 6.997 2.555 2.889
32 HB2 GLU 4 HB2 GLU 4 4.983 0.502 3.793
33 HB3 GLU 4 HB1 GLU 4 6.506 0.716 4.639
34 HG2 GLU 4 HG2 GLU 4 4.830 2.099 5.720
35 HG3 GLU 4 HG1 GLU 4 5.978 3.148 4.896
36 H LEU 5 HN LEU 5 5.901 -0.464 1.400
37 HA LEU 5 HA LEU 5 8.223 -1.975 1.833
38 HB2 LEU 5 HB2 LEU 5 6.098 -1.998 -0.307
39 HB3 LEU 5 HB1 LEU 5 7.414 -3.154 -0.270
40 HG LEU 5 HG LEU 5 6.196 -2.919 2.355
41 HD11 LEU 5 HD11 LEU 5 4.109 -4.262 1.400
42 HD12 LEU 5 HD12 LEU 5 4.426 -3.277 -0.028
43 HD13 LEU 5 HD13 LEU 5 4.086 -2.505 1.522
44 HD21 LEU 5 HD21 LEU 5 7.635 -4.785 1.184
45 HD22 LEU 5 HD22 LEU 5 6.075 -5.348 0.582
46 HD23 LEU 5 HD23 LEU 5 6.373 -5.252 2.320
47 H ILE 6 HN ILE 6 7.225 0.258 -0.696
48 HA ILE 6 HA ILE 6 9.482 0.015 -2.369
49 HB ILE 6 HB ILE 6 7.946 2.581 -2.037
50 HG12 ILE 6 HG12 ILE 6 6.217 0.887 -1.983
51 HG13 ILE 6 HG11 ILE 6 6.240 1.577 -3.603
52 HG21 ILE 6 HG21 ILE 6 9.837 2.340 -3.685
53 HG22 ILE 6 HG22 ILE 6 8.291 2.727 -4.436
54 HG23 ILE 6 HG23 ILE 6 8.909 1.076 -4.493
55 HD11 ILE 6 HD11 ILE 6 7.752 -0.942 -2.867
56 HD12 ILE 6 HD12 ILE 6 7.432 -0.309 -4.480
57 HD13 ILE 6 HD13 ILE 6 6.113 -0.958 -3.507
58 H VAL 7 HN VAL 7 8.668 2.089 0.351
59 HA VAL 7 HA VAL 7 11.050 3.660 0.263
60 HB VAL 7 HB VAL 7 9.252 3.130 2.651
61 HG11 VAL 7 HG11 VAL 7 11.196 4.227 3.414
62 HG12 VAL 7 HG12 VAL 7 10.054 5.541 3.132
63 HG13 VAL 7 HG13 VAL 7 11.321 5.203 1.954
64 HG21 VAL 7 HG21 VAL 7 8.897 5.648 1.198
65 HG22 VAL 7 HG22 VAL 7 7.674 4.505 1.754
66 HG23 VAL 7 HG23 VAL 7 8.492 4.250 0.211
67 H HIS 8 HN HIS 8 10.035 0.819 2.143
68 HA HIS 8 HA HIS 8 12.334 0.557 3.723
69 HB2 HIS 8 HB2 HIS 8 10.209 -0.766 4.005
70 HB3 HIS 8 HB1 HIS 8 10.699 -1.731 2.609
71 HD2 HIS 8 HD2 HIS 8 12.927 -0.639 5.741
72 HE1 HIS 8 HE1 HIS 8 13.183 -4.824 5.220
73 HE2 HIS 8 HE2 HIS 8 14.017 -2.857 6.596
74 H GLN 9 HN GLN 9 11.527 -0.989 0.623
75 HA GLN 9 HA GLN 9 14.137 -2.094 0.307
76 HB2 GLN 9 HB2 GLN 9 13.417 -2.778 -1.899
77 HB3 GLN 9 HB1 GLN 9 12.118 -3.093 -0.748
78 HG2 GLN 9 HG2 GLN 9 10.784 -1.932 -2.165
79 HG3 GLN 9 HG1 GLN 9 11.610 -0.495 -1.580
80 HE21 GLN 9 HE21 GLN 9 14.209 -1.109 -2.853
81 HE22 GLN 9 HE22 GLN 9 13.971 -0.939 -4.528
82 H ARG 10 HN ARG 10 12.864 1.002 -0.066
83 HA ARG 10 HA ARG 10 13.661 2.950 -0.888
84 HB2 ARG 10 HB2 ARG 10 16.045 1.357 -0.283
85 HB3 ARG 10 HB1 ARG 10 16.322 2.602 -1.497
86 HG2 ARG 10 HG2 ARG 10 16.494 4.031 0.252
87 HG3 ARG 10 HG1 ARG 10 14.737 3.921 0.310
88 HD2 ARG 10 HD2 ARG 10 16.667 3.061 2.270
89 HD3 ARG 10 HD1 ARG 10 14.914 3.139 2.383
90 HE ARG 10 HE ARG 10 14.804 0.850 1.899
91 HH11 ARG 10 HH11 ARG 10 15.784 -1.187 1.961
92 HH12 ARG 10 HH12 ARG 10 17.498 -1.330 1.715
93 HH21 ARG 10 HH21 ARG 10 18.006 2.089 1.368
94 HH22 ARG 10 HH22 ARG 10 18.759 0.529 1.380
95 HN1 NH2 11 H1 ARG 10 12.298 1.617 -2.793
96 HN2 NH2 11 H2 ARG 10 13.076 1.745 -4.299
Start of MODEL 7
1 H1 SER 1 HT1 SER 1 1.278 1.257 2.557
2 H2 SER 1 HT2 SER 1 1.316 1.281 4.255
3 H3 SER 1 HT3 SER 1 0.116 0.390 3.444
4 HA SER 1 HA SER 1 2.735 -0.385 4.192
5 HB2 SER 1 HB2 SER 1 1.254 -2.423 2.861
6 HB3 SER 1 HB1 SER 1 1.472 -2.201 4.595
7 HG SER 1 HG SER 1 -0.762 -2.072 3.488
8 H ARG 2 HN ARG 2 0.952 -0.276 1.102
9 HA ARG 2 HA ARG 2 2.849 -1.540 -0.496
10 HB2 ARG 2 HB2 ARG 2 0.405 -0.510 -0.950
11 HB3 ARG 2 HB1 ARG 2 1.389 0.749 -1.680
12 HG2 ARG 2 HG2 ARG 2 2.634 -1.369 -2.749
13 HG3 ARG 2 HG1 ARG 2 1.076 -2.097 -2.456
14 HD2 ARG 2 HD2 ARG 2 1.282 -1.050 -4.726
15 HD3 ARG 2 HD1 ARG 2 -0.065 -0.448 -3.752
16 HE ARG 2 HE ARG 2 0.927 1.615 -3.832
17 HH11 ARG 2 HH11 ARG 2 2.647 2.973 -3.583
18 HH12 ARG 2 HH12 ARG 2 4.274 2.449 -3.868
19 HH21 ARG 2 HH21 ARG 2 3.314 -0.847 -4.421
20 HH22 ARG 2 HH22 ARG 2 4.655 0.239 -4.301
21 H PHE 3 HN PHE 3 2.511 1.948 0.196
22 HA PHE 3 HA PHE 3 4.764 2.658 -1.415
23 HB2 PHE 3 HB2 PHE 3 2.746 4.041 -0.043
24 HB3 PHE 3 HB1 PHE 3 4.281 4.596 0.644
25 HD1 PHE 3 HD1 PHE 3 2.062 4.875 -2.129
26 HD2 PHE 3 HD2 PHE 3 6.208 5.053 -1.037
27 HE1 PHE 3 HE1 PHE 3 2.559 6.090 -4.224
28 HE2 PHE 3 HE2 PHE 3 6.707 6.275 -3.138
29 HZ PHE 3 HZ PHE 3 4.873 6.770 -4.725
30 H GLU 4 HN GLU 4 4.350 1.935 2.022
31 HA GLU 4 HA GLU 4 6.816 2.835 2.956
32 HB2 GLU 4 HB2 GLU 4 5.119 0.510 3.874
33 HB3 GLU 4 HB1 GLU 4 6.438 1.230 4.790
34 HG2 GLU 4 HG2 GLU 4 4.776 2.535 5.662
35 HG3 GLU 4 HG1 GLU 4 5.023 3.466 4.186
36 H LEU 5 HN LEU 5 5.958 -0.287 1.445
37 HA LEU 5 HA LEU 5 8.378 -1.609 1.939
38 HB2 LEU 5 HB2 LEU 5 6.434 -1.815 -0.368
39 HB3 LEU 5 HB1 LEU 5 7.735 -2.948 -0.058
40 HG LEU 5 HG LEU 5 6.059 -2.418 2.294
41 HD11 LEU 5 HD11 LEU 5 4.494 -2.366 0.220
42 HD12 LEU 5 HD12 LEU 5 4.064 -3.418 1.565
43 HD13 LEU 5 HD13 LEU 5 4.820 -4.095 0.123
44 HD21 LEU 5 HD21 LEU 5 6.666 -5.052 0.922
45 HD22 LEU 5 HD22 LEU 5 6.326 -4.765 2.630
46 HD23 LEU 5 HD23 LEU 5 7.854 -4.227 1.935
47 H ILE 6 HN ILE 6 7.345 0.592 -0.594
48 HA ILE 6 HA ILE 6 9.558 0.381 -2.306
49 HB ILE 6 HB ILE 6 8.072 2.960 -1.838
50 HG12 ILE 6 HG12 ILE 6 6.307 1.337 -1.854
51 HG13 ILE 6 HG11 ILE 6 6.375 2.015 -3.478
52 HG21 ILE 6 HG21 ILE 6 9.823 3.026 -3.515
53 HG22 ILE 6 HG22 ILE 6 8.270 3.020 -4.350
54 HG23 ILE 6 HG23 ILE 6 9.226 1.543 -4.260
55 HD11 ILE 6 HD11 ILE 6 8.145 -0.040 -3.712
56 HD12 ILE 6 HD12 ILE 6 6.436 -0.153 -4.130
57 HD13 ILE 6 HD13 ILE 6 6.995 -0.713 -2.555
58 H VAL 7 HN VAL 7 8.901 2.678 0.311
59 HA VAL 7 HA VAL 7 11.501 3.879 0.102
60 HB VAL 7 HB VAL 7 10.828 5.028 2.238
61 HG11 VAL 7 HG11 VAL 7 8.890 5.072 -0.102
62 HG12 VAL 7 HG12 VAL 7 10.355 6.041 0.055
63 HG13 VAL 7 HG13 VAL 7 8.992 6.322 1.139
64 HG21 VAL 7 HG21 VAL 7 9.341 3.199 3.069
65 HG22 VAL 7 HG22 VAL 7 8.223 3.558 1.753
66 HG23 VAL 7 HG23 VAL 7 8.525 4.761 3.004
67 H HIS 8 HN HIS 8 10.039 1.449 2.208
68 HA HIS 8 HA HIS 8 12.217 1.340 4.038
69 HB2 HIS 8 HB2 HIS 8 9.841 0.627 4.488
70 HB3 HIS 8 HB1 HIS 8 10.183 -0.826 3.546
71 HD2 HIS 8 HD2 HIS 8 11.475 -2.823 4.977
72 HE1 HIS 8 HE1 HIS 8 12.554 -0.501 8.337
73 HE2 HIS 8 HE2 HIS 8 12.559 -2.844 7.355
74 H GLN 9 HN GLN 9 11.431 -0.565 1.131
75 HA GLN 9 HA GLN 9 13.132 -2.714 1.512
76 HB2 GLN 9 HB2 GLN 9 13.204 -2.961 -0.919
77 HB3 GLN 9 HB1 GLN 9 11.578 -2.520 -0.397
78 HG2 GLN 9 HG2 GLN 9 12.211 -0.106 -0.873
79 HG3 GLN 9 HG1 GLN 9 13.673 -0.716 -1.640
80 HE21 GLN 9 HE21 GLN 9 10.219 -1.748 -1.705
81 HE22 GLN 9 HE22 GLN 9 10.111 -1.782 -3.401
82 H ARG 10 HN ARG 10 14.021 0.576 0.619
83 HA ARG 10 HA ARG 10 16.595 0.106 -0.375
84 HB2 ARG 10 HB2 ARG 10 15.348 2.414 1.084
85 HB3 ARG 10 HB1 ARG 10 17.082 2.417 0.756
86 HG2 ARG 10 HG2 ARG 10 16.460 3.317 -1.247
87 HG3 ARG 10 HG1 ARG 10 16.107 1.644 -1.681
88 HD2 ARG 10 HD2 ARG 10 14.240 3.375 -2.086
89 HD3 ARG 10 HD1 ARG 10 13.801 1.895 -1.248
90 HE ARG 10 HE ARG 10 13.606 3.114 0.784
91 HH11 ARG 10 HH11 ARG 10 13.133 5.047 1.793
92 HH12 ARG 10 HH12 ARG 10 13.375 6.556 0.980
93 HH21 ARG 10 HH21 ARG 10 14.584 5.074 -1.918
94 HH22 ARG 10 HH22 ARG 10 14.205 6.569 -1.131
95 HN1 NH2 11 H1 ARG 10 15.404 -0.189 2.899
96 HN2 NH2 11 H2 ARG 10 16.911 -0.492 3.622
Start of MODEL 8
1 H1 SER 1 HT1 SER 1 2.353 2.811 3.033
2 H2 SER 1 HT2 SER 1 1.863 2.856 4.653
3 H3 SER 1 HT3 SER 1 0.708 2.997 3.409
4 HA SER 1 HA SER 1 1.871 0.655 4.575
5 HB2 SER 1 HB2 SER 1 -0.307 0.106 2.859
6 HB3 SER 1 HB1 SER 1 -0.347 0.280 4.609
7 HG SER 1 HG SER 1 -1.760 1.763 3.606
8 H ARG 2 HN ARG 2 0.693 1.242 1.263
9 HA ARG 2 HA ARG 2 2.129 -0.870 0.083
10 HB2 ARG 2 HB2 ARG 2 0.137 0.453 -0.846
11 HB3 ARG 2 HB1 ARG 2 1.323 1.647 -1.362
12 HG2 ARG 2 HG2 ARG 2 2.561 -0.378 -2.433
13 HG3 ARG 2 HG1 ARG 2 1.018 -1.187 -2.281
14 HD2 ARG 2 HD2 ARG 2 1.233 -0.101 -4.486
15 HD3 ARG 2 HD1 ARG 2 -0.094 0.580 -3.542
16 HE ARG 2 HE ARG 2 1.167 2.528 -3.202
17 HH11 ARG 2 HH11 ARG 2 3.007 3.708 -3.406
18 HH12 ARG 2 HH12 ARG 2 4.313 3.201 -4.423
19 HH21 ARG 2 HH21 ARG 2 2.801 0.160 -5.167
20 HH22 ARG 2 HH22 ARG 2 4.202 1.146 -5.417
21 H PHE 3 HN PHE 3 2.841 2.605 0.217
22 HA PHE 3 HA PHE 3 5.150 2.607 -1.348
23 HB2 PHE 3 HB2 PHE 3 3.873 4.420 0.575
24 HB3 PHE 3 HB1 PHE 3 5.623 4.621 0.429
25 HD1 PHE 3 HD1 PHE 3 6.645 4.700 -1.896
26 HD2 PHE 3 HD2 PHE 3 2.446 5.200 -1.142
27 HE1 PHE 3 HE1 PHE 3 6.367 5.690 -4.144
28 HE2 PHE 3 HE2 PHE 3 2.165 6.197 -3.394
29 HZ PHE 3 HZ PHE 3 4.131 6.416 -4.885
30 H GLU 4 HN GLU 4 4.800 2.079 2.161
31 HA GLU 4 HA GLU 4 7.487 2.141 2.857
32 HB2 GLU 4 HB2 GLU 4 5.172 0.568 3.991
33 HB3 GLU 4 HB1 GLU 4 6.759 0.632 4.742
34 HG2 GLU 4 HG2 GLU 4 5.817 2.431 5.824
35 HG3 GLU 4 HG1 GLU 4 6.392 3.263 4.384
36 H LEU 5 HN LEU 5 5.579 -0.534 1.511
37 HA LEU 5 HA LEU 5 7.485 -2.561 1.866
38 HB2 LEU 5 HB2 LEU 5 5.285 -2.071 -0.133
39 HB3 LEU 5 HB1 LEU 5 6.318 -3.485 -0.233
40 HG LEU 5 HG LEU 5 5.373 -3.030 2.488
41 HD11 LEU 5 HD11 LEU 5 3.483 -2.567 0.394
42 HD12 LEU 5 HD12 LEU 5 3.197 -2.632 2.132
43 HD13 LEU 5 HD13 LEU 5 3.082 -4.101 1.165
44 HD21 LEU 5 HD21 LEU 5 4.674 -5.421 0.813
45 HD22 LEU 5 HD22 LEU 5 5.172 -5.344 2.503
46 HD23 LEU 5 HD23 LEU 5 6.366 -5.139 1.223
47 H ILE 6 HN ILE 6 7.123 0.004 -0.478
48 HA ILE 6 HA ILE 6 9.233 -0.922 -2.198
49 HB ILE 6 HB ILE 6 8.085 1.872 -2.121
50 HG12 ILE 6 HG12 ILE 6 6.135 0.450 -2.156
51 HG13 ILE 6 HG11 ILE 6 6.413 0.950 -3.825
52 HG21 ILE 6 HG21 ILE 6 8.792 0.288 -4.576
53 HG22 ILE 6 HG22 ILE 6 10.088 0.998 -3.613
54 HG23 ILE 6 HG23 ILE 6 8.847 2.032 -4.317
55 HD11 ILE 6 HD11 ILE 6 7.886 -1.244 -3.894
56 HD12 ILE 6 HD12 ILE 6 6.137 -1.335 -4.113
57 HD13 ILE 6 HD13 ILE 6 6.853 -1.719 -2.548
58 H VAL 7 HN VAL 7 8.705 1.654 0.147
59 HA VAL 7 HA VAL 7 11.263 2.821 0.082
60 HB VAL 7 HB VAL 7 9.480 2.582 2.524
61 HG11 VAL 7 HG11 VAL 7 10.485 4.860 2.967
62 HG12 VAL 7 HG12 VAL 7 11.584 4.568 1.619
63 HG13 VAL 7 HG13 VAL 7 11.640 3.529 3.045
64 HG21 VAL 7 HG21 VAL 7 7.964 3.953 1.538
65 HG22 VAL 7 HG22 VAL 7 8.792 3.656 0.009
66 HG23 VAL 7 HG23 VAL 7 9.232 5.048 0.995
67 H HIS 8 HN HIS 8 10.156 -0.164 1.349
68 HA HIS 8 HA HIS 8 11.834 -0.746 3.441
69 HB2 HIS 8 HB2 HIS 8 10.041 -2.227 2.447
70 HB3 HIS 8 HB1 HIS 8 11.192 -2.680 1.195
71 HD2 HIS 8 HD2 HIS 8 13.159 -4.523 2.021
72 HE1 HIS 8 HE1 HIS 8 11.899 -4.788 6.043
73 HE2 HIS 8 HE2 HIS 8 13.442 -5.788 4.285
74 H GLN 9 HN GLN 9 12.657 -0.409 0.061
75 HA GLN 9 HA GLN 9 15.175 -1.721 0.205
76 HB2 GLN 9 HB2 GLN 9 15.649 -0.589 -1.932
77 HB3 GLN 9 HB1 GLN 9 14.066 -1.365 -1.935
78 HG2 GLN 9 HG2 GLN 9 13.399 0.678 -2.738
79 HG3 GLN 9 HG1 GLN 9 13.353 1.083 -1.024
80 HE21 GLN 9 HE21 GLN 9 16.022 0.798 -3.451
81 HE22 GLN 9 HE22 GLN 9 16.689 2.318 -3.093
82 H ARG 10 HN ARG 10 14.016 1.386 1.114
83 HA ARG 10 HA ARG 10 14.974 3.246 2.020
84 HB2 ARG 10 HB2 ARG 10 16.658 0.991 2.984
85 HB3 ARG 10 HB1 ARG 10 17.237 2.630 3.265
86 HG2 ARG 10 HG2 ARG 10 15.920 2.430 5.144
87 HG3 ARG 10 HG1 ARG 10 14.673 2.970 4.025
88 HD2 ARG 10 HD2 ARG 10 14.064 0.920 5.398
89 HD3 ARG 10 HD1 ARG 10 13.904 0.734 3.656
90 HE ARG 10 HE ARG 10 15.628 -0.826 3.706
91 HH11 ARG 10 HH11 ARG 10 17.254 -2.053 4.743
92 HH12 ARG 10 HH12 ARG 10 17.717 -1.671 6.369
93 HH21 ARG 10 HH21 ARG 10 15.435 0.940 6.684
94 HH22 ARG 10 HH22 ARG 10 16.680 0.027 7.468
95 HN1 NH2 11 H1 ARG 10 17.813 1.417 0.720
96 HN2 NH2 11 H2 ARG 10 18.420 2.746 -0.152
Start of MODEL 9
1 H1 SER 1 HT1 SER 1 -0.331 -0.117 3.880
2 H2 SER 1 HT2 SER 1 0.647 -1.137 4.824
3 H3 SER 1 HT3 SER 1 0.552 -1.366 3.148
4 HA SER 1 HA SER 1 1.347 1.279 3.687
5 HB2 SER 1 HB2 SER 1 3.522 -0.441 4.615
6 HB3 SER 1 HB1 SER 1 2.895 1.051 5.309
7 HG SER 1 HG SER 1 2.494 -1.460 6.111
8 H ARG 2 HN ARG 2 0.759 0.347 1.382
9 HA ARG 2 HA ARG 2 2.517 -1.305 -0.030
10 HB2 ARG 2 HB2 ARG 2 0.223 -0.397 -0.751
11 HB3 ARG 2 HB1 ARG 2 1.090 1.049 -1.261
12 HG2 ARG 2 HG2 ARG 2 2.641 -0.578 -2.548
13 HG3 ARG 2 HG1 ARG 2 1.354 -1.741 -2.316
14 HD2 ARG 2 HD2 ARG 2 1.109 -0.553 -4.463
15 HD3 ARG 2 HD1 ARG 2 -0.256 -0.250 -3.383
16 HE ARG 2 HE ARG 2 0.445 1.951 -3.156
17 HH11 ARG 2 HH11 ARG 2 1.906 3.572 -3.332
18 HH12 ARG 2 HH12 ARG 2 3.400 3.378 -4.190
19 HH21 ARG 2 HH21 ARG 2 2.787 0.030 -4.837
20 HH22 ARG 2 HH22 ARG 2 3.897 1.340 -5.042
21 H PHE 3 HN PHE 3 2.523 2.284 0.136
22 HA PHE 3 HA PHE 3 4.822 2.596 -1.482
23 HB2 PHE 3 HB2 PHE 3 3.072 4.297 -0.076
24 HB3 PHE 3 HB1 PHE 3 4.711 4.686 0.472
25 HD1 PHE 3 HD1 PHE 3 2.342 5.229 -2.101
26 HD2 PHE 3 HD2 PHE 3 6.547 4.657 -1.413
27 HE1 PHE 3 HE1 PHE 3 2.853 6.228 -4.312
28 HE2 PHE 3 HE2 PHE 3 7.053 5.673 -3.607
29 HZ PHE 3 HZ PHE 3 5.204 6.437 -5.049
30 H GLU 4 HN GLU 4 4.441 2.062 1.979
31 HA GLU 4 HA GLU 4 7.036 2.647 2.812
32 HB2 GLU 4 HB2 GLU 4 4.938 0.733 3.820
33 HB3 GLU 4 HB1 GLU 4 6.487 0.926 4.627
34 HG2 GLU 4 HG2 GLU 4 5.272 2.530 5.754
35 HG3 GLU 4 HG1 GLU 4 5.897 3.511 4.436
36 H LEU 5 HN LEU 5 5.662 -0.344 1.453
37 HA LEU 5 HA LEU 5 7.889 -2.007 1.814
38 HB2 LEU 5 HB2 LEU 5 5.673 -1.897 -0.232
39 HB3 LEU 5 HB1 LEU 5 6.938 -3.107 -0.319
40 HG LEU 5 HG LEU 5 5.841 -2.859 2.378
41 HD11 LEU 5 HD11 LEU 5 4.035 -3.443 0.037
42 HD12 LEU 5 HD12 LEU 5 3.752 -2.362 1.397
43 HD13 LEU 5 HD13 LEU 5 3.703 -4.107 1.637
44 HD21 LEU 5 HD21 LEU 5 6.075 -5.170 2.365
45 HD22 LEU 5 HD22 LEU 5 7.262 -4.730 1.138
46 HD23 LEU 5 HD23 LEU 5 5.669 -5.311 0.656
47 H ILE 6 HN ILE 6 7.037 0.296 -0.728
48 HA ILE 6 HA ILE 6 9.231 -0.224 -2.434
49 HB ILE 6 HB ILE 6 7.858 2.448 -2.125
50 HG12 ILE 6 HG12 ILE 6 6.021 0.940 -2.246
51 HG13 ILE 6 HG11 ILE 6 6.265 1.478 -3.904
52 HG21 ILE 6 HG21 ILE 6 8.141 2.154 -4.738
53 HG22 ILE 6 HG22 ILE 6 9.381 0.990 -4.269
54 HG23 ILE 6 HG23 ILE 6 9.509 2.675 -3.760
55 HD11 ILE 6 HD11 ILE 6 6.144 -0.812 -4.224
56 HD12 ILE 6 HD12 ILE 6 6.874 -1.174 -2.661
57 HD13 ILE 6 HD13 ILE 6 7.882 -0.620 -4.000
58 H VAL 7 HN VAL 7 8.718 2.007 0.233
59 HA VAL 7 HA VAL 7 11.292 3.265 -0.036
60 HB VAL 7 HB VAL 7 9.610 3.261 2.466
61 HG11 VAL 7 HG11 VAL 7 11.694 5.025 1.218
62 HG12 VAL 7 HG12 VAL 7 11.561 4.462 2.884
63 HG13 VAL 7 HG13 VAL 7 10.494 5.738 2.295
64 HG21 VAL 7 HG21 VAL 7 8.860 4.183 -0.194
65 HG22 VAL 7 HG22 VAL 7 8.935 5.526 0.945
66 HG23 VAL 7 HG23 VAL 7 7.900 4.143 1.283
67 H HIS 8 HN HIS 8 9.937 0.665 1.909
68 HA HIS 8 HA HIS 8 11.840 0.272 3.849
69 HB2 HIS 8 HB2 HIS 8 9.654 -0.992 3.394
70 HB3 HIS 8 HB1 HIS 8 10.622 -2.034 2.352
71 HD2 HIS 8 HD2 HIS 8 12.946 -3.210 3.866
72 HE1 HIS 8 HE1 HIS 8 10.793 -3.068 7.500
73 HE2 HIS 8 HE2 HIS 8 12.825 -4.059 6.337
74 H GLN 9 HN GLN 9 12.180 -0.435 0.428
75 HA GLN 9 HA GLN 9 14.209 -2.334 0.460
76 HB2 GLN 9 HB2 GLN 9 14.927 -1.348 -1.727
77 HB3 GLN 9 HB1 GLN 9 13.200 -1.681 -1.630
78 HG2 GLN 9 HG2 GLN 9 13.017 0.460 -2.399
79 HG3 GLN 9 HG1 GLN 9 13.238 0.875 -0.697
80 HE21 GLN 9 HE21 GLN 9 15.497 -0.130 -3.338
81 HE22 GLN 9 HE22 GLN 9 16.573 1.157 -3.095
82 H ARG 10 HN ARG 10 14.452 1.174 0.920
83 HA ARG 10 HA ARG 10 16.253 2.530 1.420
84 HB2 ARG 10 HB2 ARG 10 16.336 0.179 3.237
85 HB3 ARG 10 HB1 ARG 10 17.760 1.219 3.230
86 HG2 ARG 10 HG2 ARG 10 16.504 2.352 4.802
87 HG3 ARG 10 HG1 ARG 10 15.877 3.122 3.348
88 HD2 ARG 10 HD2 ARG 10 14.087 2.332 4.924
89 HD3 ARG 10 HD1 ARG 10 13.968 1.669 3.302
90 HE ARG 10 HE ARG 10 14.418 -0.454 4.168
91 HH11 ARG 10 HH11 ARG 10 14.738 -1.881 5.907
92 HH12 ARG 10 HH12 ARG 10 15.169 -1.274 7.473
93 HH21 ARG 10 HH21 ARG 10 15.179 2.060 6.442
94 HH22 ARG 10 HH22 ARG 10 15.416 0.981 7.777
95 HN1 NH2 11 H1 ARG 10 18.490 -0.043 2.116
96 HN2 NH2 11 H2 ARG 10 19.414 0.110 0.701
Start of MODEL 10
1 H1 SER 1 HT1 SER 1 0.507 0.454 5.253
2 H2 SER 1 HT2 SER 1 2.204 0.534 5.206
3 H3 SER 1 HT3 SER 1 1.384 -0.730 4.421
4 HA SER 1 HA SER 1 0.252 1.112 3.085
5 HB2 SER 1 HB2 SER 1 1.991 2.606 4.772
6 HB3 SER 1 HB1 SER 1 2.605 2.731 3.130
7 HG SER 1 HG SER 1 0.727 4.148 4.070
8 H ARG 2 HN ARG 2 0.721 0.705 0.987
9 HA ARG 2 HA ARG 2 2.588 -1.255 0.275
10 HB2 ARG 2 HB2 ARG 2 0.505 -0.431 -0.991
11 HB3 ARG 2 HB1 ARG 2 1.562 0.815 -1.645
12 HG2 ARG 2 HG2 ARG 2 3.142 -1.257 -2.171
13 HG3 ARG 2 HG1 ARG 2 1.630 -2.131 -2.089
14 HD2 ARG 2 HD2 ARG 2 2.163 -1.355 -4.398
15 HD3 ARG 2 HD1 ARG 2 0.635 -0.720 -3.780
16 HE ARG 2 HE ARG 2 1.637 1.391 -3.510
17 HH11 ARG 2 HH11 ARG 2 3.316 2.765 -3.606
18 HH12 ARG 2 HH12 ARG 2 4.831 2.316 -4.325
19 HH21 ARG 2 HH21 ARG 2 3.795 -0.972 -4.879
20 HH22 ARG 2 HH22 ARG 2 5.106 0.147 -5.051
21 H PHE 3 HN PHE 3 2.757 2.272 0.146
22 HA PHE 3 HA PHE 3 5.132 2.585 -1.307
23 HB2 PHE 3 HB2 PHE 3 3.392 4.243 0.156
24 HB3 PHE 3 HB1 PHE 3 5.001 4.507 0.830
25 HD1 PHE 3 HD1 PHE 3 6.956 4.719 -0.878
26 HD2 PHE 3 HD2 PHE 3 2.812 5.273 -1.857
27 HE1 PHE 3 HE1 PHE 3 7.605 5.954 -2.926
28 HE2 PHE 3 HE2 PHE 3 3.461 6.517 -3.897
29 HZ PHE 3 HZ PHE 3 5.851 6.835 -4.423
30 H GLU 4 HN GLU 4 4.609 1.769 2.105
31 HA GLU 4 HA GLU 4 7.198 2.197 3.066
32 HB2 GLU 4 HB2 GLU 4 5.131 0.147 3.890
33 HB3 GLU 4 HB1 GLU 4 6.570 0.551 4.809
34 HG2 GLU 4 HG2 GLU 4 5.850 2.844 5.090
35 HG3 GLU 4 HG1 GLU 4 4.481 2.584 4.012
36 H LEU 5 HN LEU 5 5.751 -0.665 1.523
37 HA LEU 5 HA LEU 5 7.899 -2.418 1.839
38 HB2 LEU 5 HB2 LEU 5 5.856 -2.169 -0.376
39 HB3 LEU 5 HB1 LEU 5 6.933 -3.537 -0.166
40 HG LEU 5 HG LEU 5 5.508 -2.813 2.298
41 HD11 LEU 5 HD11 LEU 5 3.997 -2.699 -0.066
42 HD12 LEU 5 HD12 LEU 5 3.376 -2.845 1.578
43 HD13 LEU 5 HD13 LEU 5 3.664 -4.293 0.613
44 HD21 LEU 5 HD21 LEU 5 5.640 -5.401 0.727
45 HD22 LEU 5 HD22 LEU 5 5.205 -5.215 2.424
46 HD23 LEU 5 HD23 LEU 5 6.858 -4.897 1.903
47 H ILE 6 HN ILE 6 7.194 0.073 -0.514
48 HA ILE 6 HA ILE 6 9.401 -0.456 -2.232
49 HB ILE 6 HB ILE 6 8.072 2.228 -1.876
50 HG12 ILE 6 HG12 ILE 6 6.208 0.713 -1.977
51 HG13 ILE 6 HG11 ILE 6 6.405 1.384 -3.598
52 HG21 ILE 6 HG21 ILE 6 8.315 1.823 -4.531
53 HG22 ILE 6 HG22 ILE 6 9.646 0.812 -3.972
54 HG23 ILE 6 HG23 ILE 6 9.605 2.528 -3.562
55 HD11 ILE 6 HD11 ILE 6 6.082 -1.045 -3.732
56 HD12 ILE 6 HD12 ILE 6 7.443 -1.305 -2.647
57 HD13 ILE 6 HD13 ILE 6 7.712 -0.620 -4.250
58 H VAL 7 HN VAL 7 8.745 1.961 0.268
59 HA VAL 7 HA VAL 7 11.295 3.168 0.266
60 HB VAL 7 HB VAL 7 9.435 2.878 2.645
61 HG11 VAL 7 HG11 VAL 7 11.497 4.978 1.882
62 HG12 VAL 7 HG12 VAL 7 11.679 3.775 3.159
63 HG13 VAL 7 HG13 VAL 7 10.453 5.031 3.302
64 HG21 VAL 7 HG21 VAL 7 8.912 4.060 0.121
65 HG22 VAL 7 HG22 VAL 7 9.240 5.392 1.228
66 HG23 VAL 7 HG23 VAL 7 7.964 4.231 1.599
67 H HIS 8 HN HIS 8 10.013 0.319 1.860
68 HA HIS 8 HA HIS 8 11.967 -0.221 3.739
69 HB2 HIS 8 HB2 HIS 8 9.794 -1.510 3.110
70 HB3 HIS 8 HB1 HIS 8 10.833 -2.398 2.009
71 HD2 HIS 8 HD2 HIS 8 9.528 -3.497 5.061
72 HE1 HIS 8 HE1 HIS 8 13.644 -3.953 5.876
73 HE2 HIS 8 HE2 HIS 8 11.305 -4.615 6.610
74 H GLN 9 HN GLN 9 12.222 -0.277 0.268
75 HA GLN 9 HA GLN 9 14.458 -2.025 0.110
76 HB2 GLN 9 HB2 GLN 9 14.457 -1.559 -2.136
77 HB3 GLN 9 HB1 GLN 9 12.835 -0.985 -1.754
78 HG2 GLN 9 HG2 GLN 9 13.769 1.318 -1.453
79 HG3 GLN 9 HG1 GLN 9 15.349 0.716 -1.961
80 HE21 GLN 9 HE21 GLN 9 15.581 0.046 -4.228
81 HE22 GLN 9 HE22 GLN 9 14.445 0.528 -5.395
82 H ARG 10 HN ARG 10 14.030 1.253 1.115
83 HA ARG 10 HA ARG 10 15.494 2.950 1.621
84 HB2 ARG 10 HB2 ARG 10 16.509 0.442 2.801
85 HB3 ARG 10 HB1 ARG 10 17.662 1.767 2.751
86 HG2 ARG 10 HG2 ARG 10 16.634 2.358 4.715
87 HG3 ARG 10 HG1 ARG 10 15.501 3.125 3.600
88 HD2 ARG 10 HD2 ARG 10 14.694 1.422 5.521
89 HD3 ARG 10 HD1 ARG 10 13.842 1.614 3.998
90 HE ARG 10 HE ARG 10 14.535 -0.529 3.384
91 HH11 ARG 10 HH11 ARG 10 15.381 -2.575 3.893
92 HH12 ARG 10 HH12 ARG 10 16.477 -2.753 5.226
93 HH21 ARG 10 HH21 ARG 10 16.345 0.626 6.095
94 HH22 ARG 10 HH22 ARG 10 17.017 -0.921 6.489
95 HN1 NH2 11 H1 ARG 10 18.413 1.121 1.282
96 HN2 NH2 11 H2 ARG 10 18.889 1.784 -0.203