Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630994 | 5vl6 RC | 30287 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 H1 ASN 1 -8.370 -3.331 1.605
2 H2 ASN 1 H2 ASN 1 -9.499 -4.527 1.487
3 H3 ASN 1 H3 ASN 1 -9.925 -3.046 2.074
4 HA ASN 1 HA ASN 1 -9.075 -3.690 -0.651
5 HB2 ASN 1 HB2 ASN 1 -11.350 -3.072 -1.374
6 HB3 ASN 1 HB3 ASN 1 -11.360 -4.449 -0.269
7 HD21 ASN 1 HD21 ASN 1 -12.818 -1.432 -0.992
8 HD22 ASN 1 HD22 ASN 1 -13.694 -1.219 0.508
9 H VAL 2 H VAL 2 -10.004 -0.963 1.525
10 HA VAL 2 HA VAL 2 -9.487 1.075 -0.490
11 HB VAL 2 HB VAL 2 -9.465 1.818 2.376
12 HG11 VAL 2 HG21 VAL 2 -9.427 3.504 0.546
13 HG12 VAL 2 HG22 VAL 2 -10.729 3.729 1.738
14 HG13 VAL 2 HG23 VAL 2 -11.095 3.034 0.141
15 HG21 VAL 2 HG11 VAL 2 -11.300 0.130 2.443
16 HG22 VAL 2 HG12 VAL 2 -11.806 1.792 2.828
17 HG23 VAL 2 HG13 VAL 2 -12.172 1.097 1.231
18 H HIS 3 H HIS 3 -7.360 -0.520 1.878
19 HA HIS 3 HA HIS 3 -5.395 1.353 2.455
20 HB2 HIS 3 HB3 HIS 3 -5.666 -1.072 3.224
21 HB3 HIS 3 HB2 HIS 3 -4.745 -1.524 1.778
22 HD2 HIS 3 HD2 HIS 3 -2.951 -2.509 3.739
23 HE1 HIS 3 HE1 HIS 3 -1.269 1.218 4.499
24 HE2 HIS 3 HE2 HIS 3 -0.867 -1.290 4.831
25 H THR 4 H THR 4 -5.602 -0.535 -0.587
26 HA THR 4 HA THR 4 -3.305 0.530 -1.914
27 HB THR 4 HB THR 4 -4.490 -0.272 -3.983
28 HG1 THR 4 HG1 THR 4 -6.638 0.109 -3.200
29 HG21 THR 4 HG21 THR 4 -4.532 -2.677 -3.479
30 HG22 THR 4 HG22 THR 4 -4.448 -2.315 -1.738
31 HG23 THR 4 HG23 THR 4 -3.088 -1.885 -2.803
32 H PHE 5 H PHE 5 -6.475 1.884 -1.438
33 HA PHE 5 HA PHE 5 -6.268 4.009 -3.416
34 HB2 PHE 5 HB3 PHE 5 -8.297 2.665 -3.116
35 HB3 PHE 5 HB2 PHE 5 -8.466 3.296 -1.476
36 HD1 PHE 5 HD1 PHE 5 -8.360 4.458 -5.056
37 HD2 PHE 5 HD2 PHE 5 -9.796 5.194 -1.081
38 HE1 PHE 5 HE1 PHE 5 -9.713 6.348 -5.890
39 HE2 PHE 5 HE2 PHE 5 -11.140 7.088 -1.920
40 HZ PHE 5 HZ PHE 5 -11.102 7.663 -4.325
41 H ARG 6 H ARG 6 -5.524 3.811 0.030
42 HA ARG 6 HA ARG 6 -5.186 6.766 0.018
43 HB2 ARG 6 HB3 ARG 6 -6.396 5.153 2.292
44 HB3 ARG 6 HB2 ARG 6 -6.051 6.893 2.318
45 HG2 ARG 6 HG2 ARG 6 -7.671 7.306 0.542
46 HG3 ARG 6 HG3 ARG 6 -7.936 5.572 0.310
47 HD2 ARG 6 HD2 ARG 6 -9.042 5.396 2.457
48 HD3 ARG 6 HD3 ARG 6 -8.628 7.077 2.857
49 HE ARG 6 HE ARG 6 -10.065 7.200 0.448
50 HH11 ARG 6 HH11 ARG 6 -10.811 6.088 3.784
51 HH12 ARG 6 HH12 ARG 6 -12.514 6.439 3.589
52 HH21 ARG 6 HH21 ARG 6 -12.232 7.594 0.314
53 HH22 ARG 6 HH22 ARG 6 -13.299 7.274 1.662
54 H GLY 7 H GLY 7 -3.230 6.050 -0.644
55 HA2 GLY 7 HA2 GLY 7 -0.988 6.666 0.172
56 HA3 GLY 7 HA3 GLY 7 -1.244 5.577 1.545
57 H ASP 8 H ASP 8 -2.269 4.516 -1.675
58 HA ASP 8 HA ASP 8 -1.773 2.655 -2.810
59 HB2 ASP 8 HB2 ASP 8 0.174 2.686 -4.120
60 HB3 ASP 8 HB3 ASP 8 -0.470 4.313 -3.927
61 H ASN 9 H ASN 9 -1.975 1.875 -0.198
62 HA ASN 9 HA ASN 9 -1.618 0.120 1.174
63 HB2 ASN 9 HB2 ASN 9 -1.998 -1.016 -1.005
64 HB3 ASN 9 HB3 ASN 9 -0.255 -1.282 -1.115
65 HD21 ASN 9 HD21 ASN 9 -3.253 -2.231 0.502
66 HD22 ASN 9 HD22 ASN 9 -2.614 -3.677 1.250
67 H VAL 10 H VAL 10 0.028 2.119 1.727
68 HA VAL 10 HA VAL 10 1.797 2.765 2.846
69 HB VAL 10 HB VAL 10 1.094 1.171 4.468
70 HG11 VAL 10 HG21 VAL 10 1.668 -1.003 3.421
71 HG12 VAL 10 HG22 VAL 10 3.387 -0.655 3.723
72 HG13 VAL 10 HG23 VAL 10 2.259 -0.821 5.090
73 HG21 VAL 10 HG11 VAL 10 2.864 2.864 4.879
74 HG22 VAL 10 HG12 VAL 10 2.959 1.440 5.943
75 HG23 VAL 10 HG13 VAL 10 4.087 1.606 4.576
76 H HIS 11 H HIS 11 2.229 3.183 0.563
77 HA HIS 11 HA HIS 11 3.724 3.661 -1.071
78 HB2 HIS 11 HB2 HIS 11 5.724 3.073 1.111
79 HB3 HIS 11 HB3 HIS 11 6.234 3.573 -0.503
80 HD2 HIS 11 HD2 HIS 11 7.296 5.388 1.520
81 HE1 HIS 11 HE1 HIS 11 4.112 8.009 0.981
82 HE2 HIS 11 HE2 HIS 11 6.496 7.881 1.912
83 H ASN 12 H ASN 12 2.480 1.335 -1.571
84 HA ASN 12 HA ASN 12 2.516 -0.494 -2.878
85 HB2 ASN 12 HB2 ASN 12 4.078 0.912 -4.308
86 HB3 ASN 12 HB3 ASN 12 5.403 -0.067 -3.655
87 HD21 ASN 12 HD21 ASN 12 2.263 -0.311 -5.409
88 HD22 ASN 12 HD22 ASN 12 2.677 -1.760 -6.299
89 H SER 13 H SER 13 2.549 -0.955 -0.252
90 HA SER 13 HA SER 13 2.964 -2.465 1.400
91 HB2 SER 13 HB3 SER 13 2.028 -3.991 -0.199
92 HB3 SER 13 HB2 SER 13 3.619 -4.260 -0.941
93 HG SER 13 HG SER 13 3.042 -5.925 0.549
94 H SER 14 H SER 14 4.559 -0.813 1.973
95 HA SER 14 HA SER 14 6.619 -0.102 2.686
96 HB2 SER 14 HB2 SER 14 6.207 -2.034 4.185
97 HB3 SER 14 HB3 SER 14 7.115 -3.083 3.074
98 HG SER 14 HG SER 14 8.418 -2.289 4.813
99 H SER 15 H SER 15 6.359 -0.118 -0.192
100 HA SER 15 HA SER 15 7.690 0.124 -2.094
101 HB2 SER 15 HB3 SER 15 9.384 1.107 -0.417
102 HB3 SER 15 HB2 SER 15 10.206 -0.466 -0.505
103 HG SER 15 HG SER 15 11.034 1.057 -2.039
104 H SER 16 H SER 16 7.738 -2.862 -0.300
105 HA SER 16 HA SER 16 7.771 -4.607 -2.570
106 HB2 SER 16 HB3 SER 16 10.312 -3.808 -2.252
107 HB3 SER 16 HB2 SER 16 10.287 -4.970 -0.909
108 HG SER 16 HG SER 16 10.974 -5.927 -2.898
109 H LEU 17 H LEU 17 8.583 -4.297 0.962
110 HA LEU 17 HA LEU 17 8.013 -7.112 1.523
111 HB2 LEU 17 HB2 LEU 17 8.573 -4.789 3.386
112 HB3 LEU 17 HB3 LEU 17 8.372 -6.459 3.918
113 HG LEU 17 HG LEU 17 10.564 -5.509 2.027
114 HD11 LEU 17 HD11 LEU 17 10.776 -4.463 4.272
115 HD12 LEU 17 HD12 LEU 17 10.786 -6.084 5.008
116 HD13 LEU 17 HD13 LEU 17 12.106 -5.592 3.920
117 HD21 LEU 17 HD21 LEU 17 10.065 -7.938 1.841
118 HD22 LEU 17 HD22 LEU 17 11.690 -7.626 2.496
119 HD23 LEU 17 HD23 LEU 17 10.371 -8.118 3.585
120 HXT LEU 17 HXT LEU 17 4.572 -6.986 2.181
Start of MODEL 2
1 H1 ASN 1 H1 ASN 1 -7.901 6.835 -8.131
2 H2 ASN 1 H2 ASN 1 -9.446 6.259 -8.099
3 H3 ASN 1 H3 ASN 1 -9.129 7.797 -7.596
4 HA ASN 1 HA ASN 1 -7.860 7.022 -5.745
5 HB2 ASN 1 HB2 ASN 1 -10.677 5.924 -6.050
6 HB3 ASN 1 HB3 ASN 1 -9.769 5.731 -4.545
7 HD21 ASN 1 HD21 ASN 1 -9.190 7.717 -3.322
8 HD22 ASN 1 HD22 ASN 1 -10.167 9.156 -3.516
9 H VAL 2 H VAL 2 -6.196 5.731 -7.041
10 HA VAL 2 HA VAL 2 -6.361 2.830 -6.333
11 HB VAL 2 HB VAL 2 -5.284 4.061 -8.886
12 HG11 VAL 2 HG11 VAL 2 -3.698 2.309 -8.100
13 HG12 VAL 2 HG12 VAL 2 -4.482 1.918 -9.650
14 HG13 VAL 2 HG13 VAL 2 -5.028 1.127 -8.151
15 HG21 VAL 2 HG21 VAL 2 -7.729 3.575 -8.901
16 HG22 VAL 2 HG22 VAL 2 -7.357 1.858 -8.614
17 HG23 VAL 2 HG23 VAL 2 -6.811 2.649 -10.112
18 H HIS 3 H HIS 3 -3.868 5.201 -7.512
19 HA HIS 3 HA HIS 3 -1.912 4.396 -5.525
20 HB2 HIS 3 HB3 HIS 3 -1.480 5.367 -7.882
21 HB3 HIS 3 HB2 HIS 3 -1.789 6.953 -7.148
22 HD2 HIS 3 HD2 HIS 3 -0.109 7.648 -4.996
23 HE1 HIS 3 HE1 HIS 3 3.029 5.221 -6.255
24 HE2 HIS 3 HE2 HIS 3 2.473 7.151 -4.664
25 H THR 4 H THR 4 -4.196 7.173 -5.820
26 HA THR 4 HA THR 4 -3.554 7.981 -3.043
27 HB THR 4 HB THR 4 -3.418 9.733 -4.735
28 HG1 THR 4 HG1 THR 4 -4.628 11.227 -3.534
29 HG21 THR 4 HG21 THR 4 -5.406 10.786 -5.727
30 HG22 THR 4 HG22 THR 4 -5.196 9.126 -6.335
31 HG23 THR 4 HG23 THR 4 -6.430 9.472 -5.099
32 H PHE 5 H PHE 5 -4.822 5.478 -3.333
33 HA PHE 5 HA PHE 5 -7.677 5.733 -2.749
34 HB2 PHE 5 HB2 PHE 5 -6.868 3.821 -4.042
35 HB3 PHE 5 HB3 PHE 5 -5.822 3.318 -2.714
36 HD1 PHE 5 HD1 PHE 5 -9.508 4.243 -2.804
37 HD2 PHE 5 HD2 PHE 5 -6.551 1.249 -1.964
38 HE1 PHE 5 HE1 PHE 5 -11.273 2.719 -1.995
39 HE2 PHE 5 HE2 PHE 5 -8.327 -0.281 -1.191
40 HZ PHE 5 HZ PHE 5 -10.686 0.452 -1.207
41 H ARG 6 H ARG 6 -5.109 4.097 -0.928
42 HA ARG 6 HA ARG 6 -5.725 5.630 1.562
43 HB2 ARG 6 HB2 ARG 6 -5.424 2.600 1.332
44 HB3 ARG 6 HB3 ARG 6 -5.620 3.505 2.846
45 HG2 ARG 6 HG2 ARG 6 -7.866 4.123 2.306
46 HG3 ARG 6 HG3 ARG 6 -7.682 3.642 0.612
47 HD2 ARG 6 HD3 ARG 6 -7.677 1.301 1.213
48 HD3 ARG 6 HD2 ARG 6 -7.616 1.699 2.943
49 HE ARG 6 HE ARG 6 -9.928 2.950 1.982
50 HH11 ARG 6 HH11 ARG 6 -8.801 -0.460 2.159
51 HH12 ARG 6 HH12 ARG 6 -10.439 -1.066 2.242
52 HH21 ARG 6 HH21 ARG 6 -11.952 2.068 2.086
53 HH22 ARG 6 HH22 ARG 6 -12.186 0.339 2.201
54 H GLY 7 H GLY 7 -3.685 6.176 -0.202
55 HA2 GLY 7 HA2 GLY 7 -1.446 6.785 -0.077
56 HA3 GLY 7 HA3 GLY 7 -1.292 5.893 1.444
57 H ASP 8 H ASP 8 -2.398 4.396 -1.607
58 HA ASP 8 HA ASP 8 -1.637 2.658 -2.831
59 HB2 ASP 8 HB2 ASP 8 -0.105 4.554 -3.488
60 HB3 ASP 8 HB3 ASP 8 1.157 3.757 -2.539
61 H ASN 9 H ASN 9 -2.013 1.895 -0.115
62 HA ASN 9 HA ASN 9 -1.625 0.239 1.353
63 HB2 ASN 9 HB3 ASN 9 -2.153 -0.968 -0.752
64 HB3 ASN 9 HB2 ASN 9 -0.426 -1.296 -0.936
65 HD21 ASN 9 HD21 ASN 9 -3.304 -1.991 1.068
66 HD22 ASN 9 HD22 ASN 9 -2.666 -3.459 1.776
67 H VAL 10 H VAL 10 0.065 2.174 1.800
68 HA VAL 10 HA VAL 10 1.835 2.822 2.890
69 HB VAL 10 HB VAL 10 1.146 1.215 4.525
70 HG11 VAL 10 HG11 VAL 10 1.816 -0.951 3.515
71 HG12 VAL 10 HG12 VAL 10 2.394 -0.717 5.182
72 HG13 VAL 10 HG13 VAL 10 3.517 -0.524 3.815
73 HG21 VAL 10 HG21 VAL 10 2.849 2.981 4.920
74 HG22 VAL 10 HG22 VAL 10 2.997 1.576 6.002
75 HG23 VAL 10 HG23 VAL 10 4.121 1.769 4.635
76 H HIS 11 H HIS 11 2.261 3.262 0.640
77 HA HIS 11 HA HIS 11 3.750 3.771 -0.989
78 HB2 HIS 11 HB2 HIS 11 5.765 3.118 1.158
79 HB3 HIS 11 HB3 HIS 11 6.261 3.661 -0.446
80 HD2 HIS 11 HD2 HIS 11 7.347 5.413 1.619
81 HE1 HIS 11 HE1 HIS 11 4.168 8.059 1.179
82 HE2 HIS 11 HE2 HIS 11 6.558 7.898 2.088
83 H ASN 12 H ASN 12 2.509 1.506 -1.567
84 HA ASN 12 HA ASN 12 2.493 -0.252 -2.956
85 HB2 ASN 12 HB2 ASN 12 4.261 1.204 -4.214
86 HB3 ASN 12 HB3 ASN 12 5.385 -0.074 -3.728
87 HD21 ASN 12 HD21 ASN 12 4.995 -2.286 -4.549
88 HD22 ASN 12 HD22 ASN 12 4.065 -2.512 -6.014
89 H SER 13 H SER 13 2.417 -0.871 -0.378
90 HA SER 13 HA SER 13 2.787 -2.481 1.196
91 HB2 SER 13 HB2 SER 13 2.922 -4.753 0.584
92 HB3 SER 13 HB3 SER 13 2.017 -3.939 -0.706
93 HG SER 13 HG SER 13 3.892 -5.513 -1.186
94 H SER 14 H SER 14 4.388 -0.845 1.918
95 HA SER 14 HA SER 14 6.443 -0.204 2.717
96 HB2 SER 14 HB2 SER 14 5.941 -2.207 4.099
97 HB3 SER 14 HB3 SER 14 6.882 -3.208 2.973
98 HG SER 14 HG SER 14 8.122 -2.518 4.799
99 H SER 15 H SER 15 6.285 -0.095 -0.179
100 HA SER 15 HA SER 15 7.697 0.194 -2.018
101 HB2 SER 15 HB2 SER 15 9.305 1.118 -0.233
102 HB3 SER 15 HB3 SER 15 10.134 -0.451 -0.328
103 HG SER 15 HG SER 15 11.035 1.120 -1.770
104 H SER 16 H SER 16 7.607 -2.858 -0.358
105 HA SER 16 HA SER 16 7.836 -4.476 -2.717
106 HB2 SER 16 HB2 SER 16 10.338 -3.765 -2.084
107 HB3 SER 16 HB3 SER 16 10.152 -5.010 -0.830
108 HG SER 16 HG SER 16 11.015 -5.857 -2.802
109 H LEU 17 H LEU 17 8.293 -4.430 0.900
110 HA LEU 17 HA LEU 17 7.491 -7.226 1.154
111 HB2 LEU 17 HB3 LEU 17 8.125 -5.159 3.273
112 HB3 LEU 17 HB2 LEU 17 7.740 -6.849 3.605
113 HG LEU 17 HG LEU 17 10.123 -5.959 1.937
114 HD11 LEU 17 HD21 LEU 17 10.305 -5.150 4.280
115 HD12 LEU 17 HD22 LEU 17 10.101 -6.822 4.856
116 HD13 LEU 17 HD23 LEU 17 11.530 -6.381 3.889
117 HD21 LEU 17 HD11 LEU 17 9.387 -8.292 1.492
118 HD22 LEU 17 HD12 LEU 17 10.992 -8.221 2.256
119 HD23 LEU 17 HD13 LEU 17 9.565 -8.663 3.224
120 HXT LEU 17 HXT LEU 17 4.295 -5.480 2.888
Start of MODEL 3
1 H1 ASN 1 H1 ASN 1 -4.896 7.110 -9.395
2 H2 ASN 1 H2 ASN 1 -5.946 7.504 -10.603
3 H3 ASN 1 H3 ASN 1 -5.568 5.923 -10.322
4 HA ASN 1 HA ASN 1 -7.051 7.723 -8.548
5 HB2 ASN 1 HB2 ASN 1 -7.943 5.392 -10.262
6 HB3 ASN 1 HB3 ASN 1 -8.919 6.008 -8.921
7 HD21 ASN 1 HD21 ASN 1 -8.148 6.365 -12.270
8 HD22 ASN 1 HD22 ASN 1 -9.031 7.847 -12.555
9 H VAL 2 H VAL 2 -6.033 4.265 -8.899
10 HA VAL 2 HA VAL 2 -6.582 3.570 -6.166
11 HB VAL 2 HB VAL 2 -4.592 2.113 -7.877
12 HG11 VAL 2 HG11 VAL 2 -4.819 1.369 -5.508
13 HG12 VAL 2 HG12 VAL 2 -5.198 0.112 -6.709
14 HG13 VAL 2 HG13 VAL 2 -6.514 0.944 -5.847
15 HG21 VAL 2 HG21 VAL 2 -6.644 2.381 -9.270
16 HG22 VAL 2 HG22 VAL 2 -6.247 0.693 -8.871
17 HG23 VAL 2 HG23 VAL 2 -7.563 1.525 -8.009
18 H HIS 3 H HIS 3 -3.591 4.942 -7.638
19 HA HIS 3 HA HIS 3 -1.767 4.434 -5.523
20 HB2 HIS 3 HB2 HIS 3 -1.336 5.371 -7.871
21 HB3 HIS 3 HB3 HIS 3 -1.753 6.961 -7.201
22 HD2 HIS 3 HD2 HIS 3 -0.141 7.854 -5.081
23 HE1 HIS 3 HE1 HIS 3 3.114 5.460 -6.080
24 HE2 HIS 3 HE2 HIS 3 2.441 7.462 -4.629
25 H THR 4 H THR 4 -4.148 7.115 -5.856
26 HA THR 4 HA THR 4 -3.564 7.961 -3.080
27 HB THR 4 HB THR 4 -3.468 9.699 -4.803
28 HG1 THR 4 HG1 THR 4 -4.696 11.174 -3.594
29 HG21 THR 4 HG21 THR 4 -5.492 10.702 -5.772
30 HG22 THR 4 HG22 THR 4 -5.257 9.043 -6.371
31 HG23 THR 4 HG23 THR 4 -6.479 9.373 -5.119
32 H PHE 5 H PHE 5 -4.836 5.395 -3.466
33 HA PHE 5 HA PHE 5 -7.675 5.652 -2.842
34 HB2 PHE 5 HB2 PHE 5 -6.959 3.728 -4.141
35 HB3 PHE 5 HB3 PHE 5 -5.882 3.199 -2.847
36 HD1 PHE 5 HD1 PHE 5 -9.562 4.105 -3.106
37 HD2 PHE 5 HD2 PHE 5 -6.620 1.277 -1.780
38 HE1 PHE 5 HE1 PHE 5 -11.349 2.665 -2.196
39 HE2 PHE 5 HE2 PHE 5 -8.415 -0.172 -0.902
40 HZ PHE 5 HZ PHE 5 -10.777 0.527 -1.096
41 H ARG 6 H ARG 6 -5.121 3.986 -1.030
42 HA ARG 6 HA ARG 6 -5.732 5.533 1.447
43 HB2 ARG 6 HB3 ARG 6 -5.503 2.495 1.284
44 HB3 ARG 6 HB2 ARG 6 -5.653 3.443 2.778
45 HG2 ARG 6 HG2 ARG 6 -7.869 4.121 2.265
46 HG3 ARG 6 HG3 ARG 6 -7.723 3.631 0.568
47 HD2 ARG 6 HD2 ARG 6 -9.067 1.986 1.496
48 HD3 ARG 6 HD3 ARG 6 -7.461 1.240 1.488
49 HE ARG 6 HE ARG 6 -7.859 2.481 4.023
50 HH11 ARG 6 HH11 ARG 6 -8.403 1.295 5.812
51 HH12 ARG 6 HH12 ARG 6 -9.133 -0.288 5.666
52 HH21 ARG 6 HH21 ARG 6 -9.157 -0.327 2.188
53 HH22 ARG 6 HH22 ARG 6 -9.552 -1.189 3.658
54 H GLY 7 H GLY 7 -3.722 6.126 -0.237
55 HA2 GLY 7 HA2 GLY 7 -1.490 6.736 -0.125
56 HA3 GLY 7 HA3 GLY 7 -1.333 5.845 1.395
57 H ASP 8 H ASP 8 -2.373 4.351 -1.690
58 HA ASP 8 HA ASP 8 -1.552 2.634 -2.911
59 HB2 ASP 8 HB2 ASP 8 -0.060 4.540 -3.551
60 HB3 ASP 8 HB3 ASP 8 1.195 3.831 -2.527
61 H ASN 9 H ASN 9 -1.992 1.841 -0.214
62 HA ASN 9 HA ASN 9 -1.611 0.185 1.259
63 HB2 ASN 9 HB3 ASN 9 -2.082 -1.012 -0.865
64 HB3 ASN 9 HB2 ASN 9 -0.348 -1.320 -1.016
65 HD21 ASN 9 HD21 ASN 9 -3.256 -2.062 0.924
66 HD22 ASN 9 HD22 ASN 9 -2.618 -3.528 1.633
67 H VAL 10 H VAL 10 0.061 2.143 1.737
68 HA VAL 10 HA VAL 10 1.810 2.803 2.856
69 HB VAL 10 HB VAL 10 1.096 1.210 4.489
70 HG11 VAL 10 HG11 VAL 10 1.764 -0.965 3.499
71 HG12 VAL 10 HG12 VAL 10 2.317 -0.728 5.173
72 HG13 VAL 10 HG13 VAL 10 3.464 -0.550 3.824
73 HG21 VAL 10 HG21 VAL 10 2.803 2.968 4.900
74 HG22 VAL 10 HG22 VAL 10 2.925 1.568 5.992
75 HG23 VAL 10 HG23 VAL 10 4.072 1.746 4.643
76 H HIS 11 H HIS 11 2.272 3.217 0.596
77 HA HIS 11 HA HIS 11 3.787 3.701 -1.020
78 HB2 HIS 11 HB2 HIS 11 5.759 3.110 1.186
79 HB3 HIS 11 HB3 HIS 11 6.289 3.620 -0.418
80 HD2 HIS 11 HD2 HIS 11 7.316 5.427 1.629
81 HE1 HIS 11 HE1 HIS 11 4.128 8.039 1.061
82 HE2 HIS 11 HE2 HIS 11 6.501 7.916 2.021
83 H ASN 12 H ASN 12 2.573 1.409 -1.567
84 HA ASN 12 HA ASN 12 2.602 -0.382 -2.916
85 HB2 ASN 12 HB3 ASN 12 4.284 1.020 -4.256
86 HB3 ASN 12 HB2 ASN 12 5.518 -0.075 -3.606
87 HD21 ASN 12 HD21 ASN 12 2.433 -0.034 -5.466
88 HD22 ASN 12 HD22 ASN 12 2.772 -1.485 -6.384
89 H SER 13 H SER 13 2.505 -0.929 -0.312
90 HA SER 13 HA SER 13 2.866 -2.492 1.308
91 HB2 SER 13 HB2 SER 13 3.006 -4.781 0.760
92 HB3 SER 13 HB3 SER 13 2.111 -4.005 -0.561
93 HG SER 13 HG SER 13 3.996 -5.590 -0.976
94 H SER 14 H SER 14 4.451 -0.836 1.998
95 HA SER 14 HA SER 14 6.495 -0.162 2.794
96 HB2 SER 14 HB2 SER 14 5.998 -2.130 4.225
97 HB3 SER 14 HB3 SER 14 6.953 -3.154 3.131
98 HG SER 14 HG SER 14 8.178 -2.408 4.945
99 H SER 15 H SER 15 6.353 -0.129 -0.105
100 HA SER 15 HA SER 15 7.771 0.124 -1.944
101 HB2 SER 15 HB3 SER 15 9.372 1.099 -0.175
102 HB3 SER 15 HB2 SER 15 10.206 -0.468 -0.233
103 HG SER 15 HG SER 15 11.105 1.072 -1.709
104 H SER 16 H SER 16 7.695 -2.882 -0.204
105 HA SER 16 HA SER 16 7.922 -4.569 -2.511
106 HB2 SER 16 HB3 SER 16 10.428 -3.825 -1.920
107 HB3 SER 16 HB2 SER 16 10.255 -5.033 -0.629
108 HG SER 16 HG SER 16 11.109 -5.934 -2.579
109 H LEU 17 H LEU 17 8.414 -4.402 1.096
110 HA LEU 17 HA LEU 17 7.591 -7.204 1.458
111 HB2 LEU 17 HB2 LEU 17 8.275 -5.039 3.469
112 HB3 LEU 17 HB3 LEU 17 7.877 -6.701 3.906
113 HG LEU 17 HG LEU 17 10.258 -5.898 2.180
114 HD11 LEU 17 HD21 LEU 17 10.447 -4.989 4.486
115 HD12 LEU 17 HD22 LEU 17 11.673 -6.233 4.143
116 HD13 LEU 17 HD23 LEU 17 10.251 -6.635 5.134
117 HD21 LEU 17 HD11 LEU 17 9.525 -8.250 1.839
118 HD22 LEU 17 HD12 LEU 17 9.710 -8.545 3.584
119 HD23 LEU 17 HD13 LEU 17 11.133 -8.143 2.593
120 HXT LEU 17 HXT LEU 17 4.129 -6.663 1.826
Start of MODEL 4
1 H1 ASN 1 H1 ASN 1 -8.635 -1.853 3.258
2 H2 ASN 1 H2 ASN 1 -10.280 -1.832 3.376
3 H3 ASN 1 H3 ASN 1 -9.467 -3.266 3.438
4 HA ASN 1 HA ASN 1 -8.759 -3.090 1.212
5 HB2 ASN 1 HB2 ASN 1 -10.967 -4.137 1.752
6 HB3 ASN 1 HB3 ASN 1 -11.759 -2.597 1.384
7 HD21 ASN 1 HD21 ASN 1 -12.280 -2.137 -0.772
8 HD22 ASN 1 HD22 ASN 1 -11.832 -3.160 -2.118
9 H VAL 2 H VAL 2 -11.234 -0.465 1.505
10 HA VAL 2 HA VAL 2 -9.956 1.161 -0.517
11 HB VAL 2 HB VAL 2 -11.878 2.295 1.475
12 HG11 VAL 2 HG21 VAL 2 -10.876 3.815 -0.224
13 HG12 VAL 2 HG22 VAL 2 -12.654 3.742 -0.258
14 HG13 VAL 2 HG23 VAL 2 -11.704 2.876 -1.490
15 HG21 VAL 2 HG11 VAL 2 -12.956 0.172 0.730
16 HG22 VAL 2 HG12 VAL 2 -12.900 0.781 -0.942
17 HG23 VAL 2 HG13 VAL 2 -13.851 1.646 0.289
18 H HIS 3 H HIS 3 -9.545 1.072 3.054
19 HA HIS 3 HA HIS 3 -8.336 3.604 3.471
20 HB2 HIS 3 HB2 HIS 3 -9.087 1.894 5.209
21 HB3 HIS 3 HB3 HIS 3 -7.535 1.073 4.946
22 HD2 HIS 3 HD2 HIS 3 -8.056 4.934 5.033
23 HE1 HIS 3 HE1 HIS 3 -5.629 3.981 8.278
24 HE2 HIS 3 HE2 HIS 3 -6.628 5.973 7.010
25 H THR 4 H THR 4 -6.842 0.559 2.340
26 HA THR 4 HA THR 4 -4.213 1.793 1.894
27 HB THR 4 HB THR 4 -3.679 -0.531 1.057
28 HG1 THR 4 HG1 THR 4 -5.856 -1.115 0.524
29 HG21 THR 4 HG21 THR 4 -3.703 -1.668 3.238
30 HG22 THR 4 HG22 THR 4 -3.142 0.016 3.370
31 HG23 THR 4 HG23 THR 4 -4.793 -0.414 3.877
32 H PHE 5 H PHE 5 -6.884 2.412 0.219
33 HA PHE 5 HA PHE 5 -6.174 1.762 -2.509
34 HB2 PHE 5 HB3 PHE 5 -8.525 2.012 -1.697
35 HB3 PHE 5 HB2 PHE 5 -8.243 3.749 -1.588
36 HD1 PHE 5 HD1 PHE 5 -7.869 1.034 -4.201
37 HD2 PHE 5 HD2 PHE 5 -9.128 5.034 -3.299
38 HE1 PHE 5 HE1 PHE 5 -8.620 1.329 -6.536
39 HE2 PHE 5 HE2 PHE 5 -9.873 5.323 -5.635
40 HZ PHE 5 HZ PHE 5 -9.620 3.472 -7.253
41 H ARG 6 H ARG 6 -6.315 4.808 -0.696
42 HA ARG 6 HA ARG 6 -4.813 6.162 -2.799
43 HB2 ARG 6 HB3 ARG 6 -6.134 7.436 -0.411
44 HB3 ARG 6 HB2 ARG 6 -5.566 8.224 -1.895
45 HG2 ARG 6 HG2 ARG 6 -7.191 6.700 -3.171
46 HG3 ARG 6 HG3 ARG 6 -7.877 6.253 -1.607
47 HD2 ARG 6 HD2 ARG 6 -7.812 9.067 -2.733
48 HD3 ARG 6 HD3 ARG 6 -9.192 7.960 -2.849
49 HE ARG 6 HE ARG 6 -8.484 8.207 -0.100
50 HH11 ARG 6 HH11 ARG 6 -9.905 10.281 -2.672
51 HH12 ARG 6 HH12 ARG 6 -10.768 11.254 -1.501
52 HH21 ARG 6 HH21 ARG 6 -9.621 9.505 1.283
53 HH22 ARG 6 HH22 ARG 6 -10.609 10.821 0.690
54 H GLY 7 H GLY 7 -4.097 5.004 0.341
55 HA2 GLY 7 HA2 GLY 7 -1.572 6.502 0.590
56 HA3 GLY 7 HA3 GLY 7 -2.124 5.171 1.631
57 H ASP 8 H ASP 8 -2.550 3.934 -1.365
58 HA ASP 8 HA ASP 8 -1.703 2.430 -2.729
59 HB2 ASP 8 HB3 ASP 8 0.918 3.884 -2.353
60 HB3 ASP 8 HB2 ASP 8 0.624 2.622 -3.557
61 H ASN 9 H ASN 9 -2.129 1.515 -0.140
62 HA ASN 9 HA ASN 9 -1.719 -0.198 1.265
63 HB2 ASN 9 HB2 ASN 9 -2.055 -1.338 -0.877
64 HB3 ASN 9 HB3 ASN 9 -0.305 -1.490 -1.059
65 HD21 ASN 9 HD21 ASN 9 -3.151 -2.602 0.782
66 HD22 ASN 9 HD22 ASN 9 -2.394 -4.043 1.423
67 H VAL 10 H VAL 10 -0.226 1.826 1.923
68 HA VAL 10 HA VAL 10 1.407 2.556 3.154
69 HB VAL 10 HB VAL 10 0.744 0.795 4.649
70 HG11 VAL 10 HG11 VAL 10 1.716 -1.234 3.597
71 HG12 VAL 10 HG12 VAL 10 3.335 -0.652 4.053
72 HG13 VAL 10 HG13 VAL 10 2.138 -1.034 5.315
73 HG21 VAL 10 HG21 VAL 10 2.217 2.700 5.264
74 HG22 VAL 10 HG22 VAL 10 2.430 1.259 6.286
75 HG23 VAL 10 HG23 VAL 10 3.627 1.640 5.025
76 H HIS 11 H HIS 11 1.948 3.147 0.967
77 HA HIS 11 HA HIS 11 3.511 3.892 -0.493
78 HB2 HIS 11 HB2 HIS 11 4.679 4.388 1.757
79 HB3 HIS 11 HB3 HIS 11 5.790 3.083 1.305
80 HD2 HIS 11 HD2 HIS 11 7.426 5.412 1.534
81 HE1 HIS 11 HE1 HIS 11 6.756 6.550 -2.411
82 HE2 HIS 11 HE2 HIS 11 8.327 6.954 -0.425
83 H ASN 12 H ASN 12 2.468 1.624 -1.352
84 HA ASN 12 HA ASN 12 2.677 -0.030 -2.859
85 HB2 ASN 12 HB3 ASN 12 4.300 1.574 -3.979
86 HB3 ASN 12 HB2 ASN 12 5.599 0.585 -3.298
87 HD21 ASN 12 HD21 ASN 12 2.875 0.592 -5.620
88 HD22 ASN 12 HD22 ASN 12 3.431 -0.789 -6.539
89 H SER 13 H SER 13 2.471 -0.849 -0.319
90 HA SER 13 HA SER 13 2.847 -2.553 1.147
91 HB2 SER 13 HB3 SER 13 3.214 -4.759 0.395
92 HB3 SER 13 HB2 SER 13 2.346 -3.920 -0.904
93 HG SER 13 HG SER 13 4.374 -5.307 -1.340
94 H SER 14 H SER 14 4.241 -0.876 2.148
95 HA SER 14 HA SER 14 6.181 -0.150 3.127
96 HB2 SER 14 HB3 SER 14 5.735 -2.321 4.275
97 HB3 SER 14 HB2 SER 14 6.885 -3.106 3.172
98 HG SER 14 HG SER 14 7.863 -2.470 5.168
99 H SER 15 H SER 15 6.217 0.060 0.166
100 HA SER 15 HA SER 15 7.730 0.494 -1.575
101 HB2 SER 15 HB2 SER 15 8.827 1.804 0.344
102 HB3 SER 15 HB3 SER 15 9.971 0.452 0.480
103 HG SER 15 HG SER 15 10.743 2.132 -0.910
104 H SER 16 H SER 16 7.692 -2.484 -0.089
105 HA SER 16 HA SER 16 9.193 -3.880 -2.173
106 HB2 SER 16 HB3 SER 16 10.723 -4.955 -0.417
107 HB3 SER 16 HB2 SER 16 11.037 -3.234 -0.690
108 HG SER 16 HG SER 16 10.985 -3.275 1.447
109 H LEU 17 H LEU 17 8.211 -4.519 1.290
110 HA LEU 17 HA LEU 17 5.903 -6.060 0.506
111 HB2 LEU 17 HB2 LEU 17 6.491 -8.241 1.519
112 HB3 LEU 17 HB3 LEU 17 7.233 -7.892 -0.038
113 HG LEU 17 HG LEU 17 8.893 -7.345 2.383
114 HD11 LEU 17 HD11 LEU 17 7.793 -9.491 2.990
115 HD12 LEU 17 HD12 LEU 17 9.545 -9.663 2.733
116 HD13 LEU 17 HD13 LEU 17 8.404 -10.209 1.480
117 HD21 LEU 17 HD21 LEU 17 9.806 -7.041 0.090
118 HD22 LEU 17 HD22 LEU 17 10.719 -8.236 1.043
119 HD23 LEU 17 HD23 LEU 17 9.577 -8.781 -0.210
120 HXT LEU 17 HXT LEU 17 6.688 -5.579 4.468
Start of MODEL 5
1 H1 ASN 1 H1 ASN 1 -11.323 2.303 -2.013
2 H2 ASN 1 H2 ASN 1 -11.976 1.940 -3.483
3 H3 ASN 1 H3 ASN 1 -11.006 0.847 -2.718
4 HA ASN 1 HA ASN 1 -9.107 2.227 -2.929
5 HB2 ASN 1 HB2 ASN 1 -10.676 1.606 -5.448
6 HB3 ASN 1 HB3 ASN 1 -9.049 2.294 -5.530
7 HD21 ASN 1 HD21 ASN 1 -10.923 -0.623 -5.107
8 HD22 ASN 1 HD22 ASN 1 -9.572 -1.710 -4.876
9 H VAL 2 H VAL 2 -10.464 4.201 -1.730
10 HA VAL 2 HA VAL 2 -10.939 6.493 -3.512
11 HB VAL 2 HB VAL 2 -10.986 6.257 -0.479
12 HG11 VAL 2 HG11 VAL 2 -10.502 8.605 -1.168
13 HG12 VAL 2 HG12 VAL 2 -12.063 8.421 -0.333
14 HG13 VAL 2 HG13 VAL 2 -12.016 8.612 -2.102
15 HG21 VAL 2 HG21 VAL 2 -12.836 5.022 -1.616
16 HG22 VAL 2 HG22 VAL 2 -13.359 6.551 -2.361
17 HG23 VAL 2 HG23 VAL 2 -13.407 6.361 -0.591
18 H HIS 3 H HIS 3 -8.740 6.045 -0.704
19 HA HIS 3 HA HIS 3 -6.732 7.970 -1.647
20 HB2 HIS 3 HB2 HIS 3 -7.639 7.366 0.717
21 HB3 HIS 3 HB3 HIS 3 -6.603 5.933 0.621
22 HD2 HIS 3 HD2 HIS 3 -5.012 8.954 -1.006
23 HE1 HIS 3 HE1 HIS 3 -3.465 8.900 2.859
24 HE2 HIS 3 HE2 HIS 3 -3.157 10.009 0.568
25 H THR 4 H THR 4 -7.251 5.108 -2.945
26 HA THR 4 HA THR 4 -6.267 3.662 -4.208
27 HB THR 4 HB THR 4 -4.191 3.784 -5.129
28 HG1 THR 4 HG1 THR 4 -2.489 4.988 -4.359
29 HG21 THR 4 HG21 THR 4 -3.885 6.099 -5.875
30 HG22 THR 4 HG22 THR 4 -5.587 5.581 -5.938
31 HG23 THR 4 HG23 THR 4 -5.029 6.647 -4.626
32 H PHE 5 H PHE 5 -7.207 2.625 -2.143
33 HA PHE 5 HA PHE 5 -7.245 0.858 -0.771
34 HB2 PHE 5 HB2 PHE 5 -6.108 -0.222 -2.832
35 HB3 PHE 5 HB3 PHE 5 -4.686 -0.329 -1.781
36 HD1 PHE 5 HD1 PHE 5 -8.199 -1.456 -2.254
37 HD2 PHE 5 HD2 PHE 5 -4.631 -1.920 0.082
38 HE1 PHE 5 HE1 PHE 5 -9.152 -3.473 -1.192
39 HE2 PHE 5 HE2 PHE 5 -5.589 -3.934 1.140
40 HZ PHE 5 HZ PHE 5 -7.845 -4.716 0.498
41 H ARG 6 H ARG 6 -6.697 2.953 0.506
42 HA ARG 6 HA ARG 6 -6.034 3.800 2.471
43 HB2 ARG 6 HB2 ARG 6 -5.174 0.988 3.154
44 HB3 ARG 6 HB3 ARG 6 -5.360 2.319 4.311
45 HG2 ARG 6 HG3 ARG 6 -7.559 1.863 4.503
46 HG3 ARG 6 HG2 ARG 6 -7.779 2.142 2.767
47 HD2 ARG 6 HD2 ARG 6 -7.236 -0.221 2.300
48 HD3 ARG 6 HD3 ARG 6 -6.988 -0.515 4.034
49 HE ARG 6 HE ARG 6 -9.594 0.591 3.676
50 HH11 ARG 6 HH11 ARG 6 -7.890 -2.490 2.945
51 HH12 ARG 6 HH12 ARG 6 -9.381 -3.403 2.998
52 HH21 ARG 6 HH21 ARG 6 -11.413 -0.666 3.712
53 HH22 ARG 6 HH22 ARG 6 -11.333 -2.390 3.423
54 H GLY 7 H GLY 7 -4.716 4.792 0.899
55 HA2 GLY 7 HA3 GLY 7 -2.863 6.135 0.575
56 HA3 GLY 7 HA2 GLY 7 -2.170 5.470 2.062
57 H ASP 8 H ASP 8 -2.929 4.143 -1.222
58 HA ASP 8 HA ASP 8 -1.704 2.857 -2.658
59 HB2 ASP 8 HB3 ASP 8 -0.493 5.045 -2.750
60 HB3 ASP 8 HB2 ASP 8 0.718 4.363 -1.658
61 H ASN 9 H ASN 9 -2.313 1.514 -0.210
62 HA ASN 9 HA ASN 9 -1.785 -0.274 1.077
63 HB2 ASN 9 HB2 ASN 9 -2.056 -1.195 -1.166
64 HB3 ASN 9 HB3 ASN 9 -0.304 -1.177 -1.392
65 HD21 ASN 9 HD21 ASN 9 -2.975 -2.689 0.460
66 HD22 ASN 9 HD22 ASN 9 -2.099 -4.151 0.857
67 H VAL 10 H VAL 10 -0.304 1.838 1.874
68 HA VAL 10 HA VAL 10 1.380 2.516 3.092
69 HB VAL 10 HB VAL 10 0.690 0.769 4.567
70 HG11 VAL 10 HG21 VAL 10 1.484 -1.284 3.420
71 HG12 VAL 10 HG22 VAL 10 1.972 -1.173 5.128
72 HG13 VAL 10 HG23 VAL 10 3.153 -0.832 3.841
73 HG21 VAL 10 HG11 VAL 10 2.305 2.551 5.190
74 HG22 VAL 10 HG12 VAL 10 2.453 1.068 6.163
75 HG23 VAL 10 HG13 VAL 10 3.634 1.409 4.876
76 H HIS 11 H HIS 11 1.869 3.043 0.795
77 HA HIS 11 HA HIS 11 3.406 3.683 -0.744
78 HB2 HIS 11 HB2 HIS 11 4.552 4.364 1.475
79 HB3 HIS 11 HB3 HIS 11 5.696 3.059 1.114
80 HD2 HIS 11 HD2 HIS 11 7.273 5.444 1.183
81 HE1 HIS 11 HE1 HIS 11 6.570 6.303 -2.827
82 HE2 HIS 11 HE2 HIS 11 8.130 6.876 -0.874
83 H ASN 12 H ASN 12 2.419 1.265 -1.358
84 HA ASN 12 HA ASN 12 2.683 -0.491 -2.742
85 HB2 ASN 12 HB3 ASN 12 5.565 0.311 -3.235
86 HB3 ASN 12 HB2 ASN 12 4.672 -0.946 -4.097
87 HD21 ASN 12 HD21 ASN 12 2.846 -0.274 -5.511
88 HD22 ASN 12 HD22 ASN 12 2.867 1.331 -6.206
89 H SER 13 H SER 13 2.535 -1.039 -0.118
90 HA SER 13 HA SER 13 2.949 -2.556 1.520
91 HB2 SER 13 HB2 SER 13 3.259 -4.837 0.992
92 HB3 SER 13 HB3 SER 13 2.337 -4.122 -0.346
93 HG SER 13 HG SER 13 4.322 -5.578 -0.737
94 H SER 14 H SER 14 4.449 -0.765 2.171
95 HA SER 14 HA SER 14 6.396 -0.015 3.071
96 HB2 SER 14 HB3 SER 14 6.018 -1.999 4.497
97 HB3 SER 14 HB2 SER 14 7.075 -2.951 3.432
98 HG SER 14 HG SER 14 8.198 -2.098 5.264
99 H SER 15 H SER 15 6.327 0.202 0.258
100 HA SER 15 HA SER 15 7.757 0.657 -1.530
101 HB2 SER 15 HB3 SER 15 9.328 1.485 0.341
102 HB3 SER 15 HB2 SER 15 10.195 -0.052 0.129
103 HG SER 15 HG SER 15 11.065 1.646 -1.179
104 H SER 16 H SER 16 7.768 -2.507 -0.075
105 HA SER 16 HA SER 16 8.051 -3.910 -2.565
106 HB2 SER 16 HB3 SER 16 10.530 -3.204 -1.863
107 HB3 SER 16 HB2 SER 16 10.364 -4.552 -0.717
108 HG SER 16 HG SER 16 11.249 -5.215 -2.748
109 H LEU 17 H LEU 17 8.682 -4.261 1.020
110 HA LEU 17 HA LEU 17 6.494 -6.115 1.299
111 HB2 LEU 17 HB2 LEU 17 7.694 -8.101 2.151
112 HB3 LEU 17 HB3 LEU 17 7.778 -7.856 0.409
113 HG LEU 17 HG LEU 17 10.107 -6.813 1.918
114 HD11 LEU 17 HD21 LEU 17 9.628 -8.859 3.247
115 HD12 LEU 17 HD22 LEU 17 11.168 -8.955 2.359
116 HD13 LEU 17 HD23 LEU 17 9.737 -9.827 1.757
117 HD21 LEU 17 HD11 LEU 17 10.050 -6.917 -0.565
118 HD22 LEU 17 HD12 LEU 17 11.414 -7.822 0.133
119 HD23 LEU 17 HD13 LEU 17 9.983 -8.693 -0.469
120 HXT LEU 17 HXT LEU 17 8.641 -4.972 4.560
Start of MODEL 6
1 H1 ASN 1 H1 ASN 1 -12.880 6.827 -5.268
2 H2 ASN 1 H2 ASN 1 -13.706 6.980 -3.849
3 H3 ASN 1 H3 ASN 1 -13.608 8.257 -4.887
4 HA ASN 1 HA ASN 1 -11.311 8.486 -4.576
5 HB2 ASN 1 HB3 ASN 1 -12.905 9.645 -3.033
6 HB3 ASN 1 HB2 ASN 1 -12.696 8.321 -1.877
7 HD21 ASN 1 HD21 ASN 1 -11.088 8.526 -0.347
8 HD22 ASN 1 HD22 ASN 1 -9.789 9.695 -0.426
9 H VAL 2 H VAL 2 -12.035 6.305 -1.780
10 HA VAL 2 HA VAL 2 -11.074 4.403 -0.998
11 HB VAL 2 HB VAL 2 -10.547 4.107 -3.897
12 HG11 VAL 2 HG21 VAL 2 -8.603 2.919 -2.915
13 HG12 VAL 2 HG22 VAL 2 -9.741 1.845 -2.067
14 HG13 VAL 2 HG23 VAL 2 -9.712 1.884 -3.846
15 HG21 VAL 2 HG11 VAL 2 -12.817 3.797 -2.966
16 HG22 VAL 2 HG12 VAL 2 -12.189 2.402 -3.876
17 HG23 VAL 2 HG13 VAL 2 -12.219 2.363 -2.097
18 H HIS 3 H HIS 3 -9.007 6.435 -2.758
19 HA HIS 3 HA HIS 3 -6.928 7.255 -2.652
20 HB2 HIS 3 HB3 HIS 3 -7.878 7.940 -0.541
21 HB3 HIS 3 HB2 HIS 3 -7.315 6.457 0.230
22 HD2 HIS 3 HD2 HIS 3 -5.094 8.770 -1.997
23 HE1 HIS 3 HE1 HIS 3 -3.590 8.958 1.880
24 HE2 HIS 3 HE2 HIS 3 -3.122 9.739 -0.515
25 H THR 4 H THR 4 -7.184 4.552 -3.422
26 HA THR 4 HA THR 4 -6.156 2.712 -4.007
27 HB THR 4 HB THR 4 -4.022 2.856 -4.928
28 HG1 THR 4 HG1 THR 4 -3.570 5.309 -3.610
29 HG21 THR 4 HG21 THR 4 -4.077 4.853 -6.346
30 HG22 THR 4 HG22 THR 4 -5.363 5.540 -5.326
31 HG23 THR 4 HG23 THR 4 -5.661 4.048 -6.250
32 H PHE 5 H PHE 5 -6.905 2.146 -1.659
33 HA PHE 5 HA PHE 5 -6.672 0.769 0.100
34 HB2 PHE 5 HB2 PHE 5 -4.092 -0.144 -1.151
35 HB3 PHE 5 HB3 PHE 5 -4.836 -0.889 0.267
36 HD1 PHE 5 HD1 PHE 5 -4.761 -0.750 -3.357
37 HD2 PHE 5 HD2 PHE 5 -7.141 -1.992 -0.010
38 HE1 PHE 5 HE1 PHE 5 -6.087 -2.215 -4.840
39 HE2 PHE 5 HE2 PHE 5 -8.460 -3.460 -1.498
40 HZ PHE 5 HZ PHE 5 -7.934 -3.571 -3.909
41 H ARG 6 H ARG 6 -6.330 3.278 0.671
42 HA ARG 6 HA ARG 6 -5.658 4.776 2.201
43 HB2 ARG 6 HB2 ARG 6 -5.002 2.306 3.805
44 HB3 ARG 6 HB3 ARG 6 -5.112 3.945 4.472
45 HG2 ARG 6 HG2 ARG 6 -7.376 3.886 4.521
46 HG3 ARG 6 HG3 ARG 6 -7.485 3.226 2.881
47 HD2 ARG 6 HD3 ARG 6 -7.170 0.957 3.725
48 HD3 ARG 6 HD2 ARG 6 -6.883 1.574 5.366
49 HE ARG 6 HE ARG 6 -9.425 2.522 4.513
50 HH11 ARG 6 HH11 ARG 6 -11.313 1.581 5.181
51 HH12 ARG 6 HH12 ARG 6 -11.349 -0.065 5.773
52 HH21 ARG 6 HH21 ARG 6 -7.943 -0.639 5.376
53 HH22 ARG 6 HH22 ARG 6 -9.483 -1.297 5.882
54 H GLY 7 H GLY 7 -4.167 5.045 0.434
55 HA2 GLY 7 HA3 GLY 7 -2.303 6.444 0.072
56 HA3 GLY 7 HA2 GLY 7 -1.580 5.871 1.582
57 H ASP 8 H ASP 8 -2.593 4.327 -1.551
58 HA ASP 8 HA ASP 8 -1.526 2.806 -2.886
59 HB2 ASP 8 HB2 ASP 8 -0.219 4.867 -3.281
60 HB3 ASP 8 HB3 ASP 8 1.002 4.295 -2.139
61 H ASN 9 H ASN 9 -2.080 1.739 -0.290
62 HA ASN 9 HA ASN 9 -1.607 0.032 1.115
63 HB2 ASN 9 HB2 ASN 9 -1.919 -1.016 -1.136
64 HB3 ASN 9 HB3 ASN 9 -0.167 -1.240 -1.208
65 HD21 ASN 9 HD21 ASN 9 -3.159 -2.215 0.480
66 HD22 ASN 9 HD22 ASN 9 -2.511 -3.699 1.143
67 H VAL 10 H VAL 10 0.034 2.123 1.652
68 HA VAL 10 HA VAL 10 1.809 2.802 2.738
69 HB VAL 10 HB VAL 10 1.040 1.287 4.414
70 HG11 VAL 10 HG11 VAL 10 1.622 -0.935 3.475
71 HG12 VAL 10 HG12 VAL 10 3.336 -0.585 3.802
72 HG13 VAL 10 HG13 VAL 10 2.176 -0.687 5.148
73 HG21 VAL 10 HG21 VAL 10 2.813 2.982 4.797
74 HG22 VAL 10 HG22 VAL 10 4.033 1.705 4.575
75 HG23 VAL 10 HG23 VAL 10 2.873 1.604 5.921
76 H HIS 11 H HIS 11 2.272 3.055 0.405
77 HA HIS 11 HA HIS 11 3.806 3.433 -1.219
78 HB2 HIS 11 HB2 HIS 11 5.773 2.945 1.017
79 HB3 HIS 11 HB3 HIS 11 6.304 3.353 -0.616
80 HD2 HIS 11 HD2 HIS 11 7.366 5.260 1.319
81 HE1 HIS 11 HE1 HIS 11 4.214 7.880 0.612
82 HE2 HIS 11 HE2 HIS 11 6.586 7.779 1.573
83 H ASN 12 H ASN 12 2.549 1.110 -1.608
84 HA ASN 12 HA ASN 12 2.549 -0.793 -2.790
85 HB2 ASN 12 HB3 ASN 12 5.363 -0.098 -3.655
86 HB3 ASN 12 HB2 ASN 12 4.468 -1.512 -4.233
87 HD21 ASN 12 HD21 ASN 12 2.192 -0.970 -5.166
88 HD22 ASN 12 HD22 ASN 12 2.104 0.447 -6.188
89 H SER 13 H SER 13 2.544 -1.150 -0.181
90 HA SER 13 HA SER 13 2.943 -2.583 1.534
91 HB2 SER 13 HB2 SER 13 3.143 -4.903 1.175
92 HB3 SER 13 HB3 SER 13 2.209 -4.261 -0.189
93 HG SER 13 HG SER 13 4.130 -5.827 -0.501
94 H SER 14 H SER 14 4.482 -0.871 2.146
95 HA SER 14 HA SER 14 6.518 -0.105 2.857
96 HB2 SER 14 HB3 SER 14 6.059 -2.024 4.386
97 HB3 SER 14 HB2 SER 14 7.093 -3.045 3.365
98 HG SER 14 HG SER 14 8.235 -2.137 5.157
99 H SER 15 H SER 15 6.354 -0.374 -0.087
100 HA SER 15 HA SER 15 7.765 -0.310 -1.963
101 HB2 SER 15 HB2 SER 15 9.089 1.189 -0.348
102 HB3 SER 15 HB3 SER 15 10.148 -0.211 -0.075
103 HG SER 15 HG SER 15 10.922 1.175 -1.758
104 H SER 16 H SER 16 7.689 -3.017 0.006
105 HA SER 16 HA SER 16 8.892 -4.827 -1.943
106 HB2 SER 16 HB2 SER 16 10.543 -5.701 -0.202
107 HB3 SER 16 HB3 SER 16 10.916 -4.068 -0.775
108 HG SER 16 HG SER 16 11.093 -3.811 1.351
109 H LEU 17 H LEU 17 8.213 -4.802 1.654
110 HA LEU 17 HA LEU 17 5.804 -6.393 1.353
111 HB2 LEU 17 HB3 LEU 17 6.416 -8.376 2.628
112 HB3 LEU 17 HB2 LEU 17 7.266 -8.271 1.090
113 HG LEU 17 HG LEU 17 8.740 -7.325 3.509
114 HD11 LEU 17 HD21 LEU 17 7.662 -9.419 4.305
115 HD12 LEU 17 HD22 LEU 17 8.401 -10.293 2.943
116 HD13 LEU 17 HD23 LEU 17 9.433 -9.555 4.191
117 HD21 LEU 17 HD11 LEU 17 9.805 -7.271 1.263
118 HD22 LEU 17 HD12 LEU 17 10.681 -8.302 2.419
119 HD23 LEU 17 HD13 LEU 17 9.651 -9.042 1.171
120 HXT LEU 17 HXT LEU 17 4.993 -5.010 4.453
Start of MODEL 7
1 H1 ASN 1 H1 ASN 1 -2.934 4.410 8.278
2 H2 ASN 1 H2 ASN 1 -3.617 5.009 9.654
3 H3 ASN 1 H3 ASN 1 -2.975 6.038 8.537
4 HA ASN 1 HA ASN 1 -5.333 4.319 8.172
5 HB2 ASN 1 HB2 ASN 1 -5.516 6.377 9.678
6 HB3 ASN 1 HB3 ASN 1 -5.182 7.365 8.247
7 HD21 ASN 1 HD21 ASN 1 -6.953 8.062 7.073
8 HD22 ASN 1 HD22 ASN 1 -8.558 7.376 7.193
9 H VAL 2 H VAL 2 -3.735 3.524 6.405
10 HA VAL 2 HA VAL 2 -3.208 5.084 4.021
11 HB VAL 2 HB VAL 2 -3.607 2.073 4.072
12 HG11 VAL 2 HG21 VAL 2 -2.960 3.150 1.932
13 HG12 VAL 2 HG22 VAL 2 -1.400 3.580 2.672
14 HG13 VAL 2 HG23 VAL 2 -1.853 1.869 2.483
15 HG21 VAL 2 HG11 VAL 2 -2.238 2.497 6.112
16 HG22 VAL 2 HG12 VAL 2 -1.436 1.495 4.880
17 HG23 VAL 2 HG13 VAL 2 -0.982 3.205 5.068
18 H HIS 3 H HIS 3 -5.846 2.931 4.996
19 HA HIS 3 HA HIS 3 -7.846 2.336 4.218
20 HB2 HIS 3 HB2 HIS 3 -8.200 4.685 4.100
21 HB3 HIS 3 HB3 HIS 3 -7.534 4.762 2.464
22 HD2 HIS 3 HD2 HIS 3 -9.346 4.985 0.652
23 HE1 HIS 3 HE1 HIS 3 -12.473 2.940 2.483
24 HE2 HIS 3 HE2 HIS 3 -11.872 4.238 0.355
25 H THR 4 H THR 4 -5.313 1.436 3.072
26 HA THR 4 HA THR 4 -4.282 0.279 1.490
27 HB THR 4 HB THR 4 -4.974 -1.959 1.485
28 HG1 THR 4 HG1 THR 4 -7.495 -1.182 2.489
29 HG21 THR 4 HG21 THR 4 -5.367 -2.483 3.845
30 HG22 THR 4 HG22 THR 4 -4.081 -1.271 3.633
31 HG23 THR 4 HG23 THR 4 -5.700 -0.766 4.173
32 H PHE 5 H PHE 5 -5.552 2.224 0.127
33 HA PHE 5 HA PHE 5 -5.261 1.342 -2.552
34 HB2 PHE 5 HB2 PHE 5 -7.504 0.433 -2.282
35 HB3 PHE 5 HB3 PHE 5 -8.120 2.019 -1.813
36 HD1 PHE 5 HD1 PHE 5 -9.011 3.463 -3.456
37 HD2 PHE 5 HD2 PHE 5 -6.499 0.210 -4.688
38 HE1 PHE 5 HE1 PHE 5 -9.512 3.967 -5.823
39 HE2 PHE 5 HE2 PHE 5 -7.009 0.716 -7.052
40 HZ PHE 5 HZ PHE 5 -8.515 2.594 -7.618
41 H ARG 6 H ARG 6 -6.435 3.903 -0.359
42 HA ARG 6 HA ARG 6 -5.682 5.879 -2.374
43 HB2 ARG 6 HB3 ARG 6 -7.256 6.306 0.152
44 HB3 ARG 6 HB2 ARG 6 -6.993 7.490 -1.147
45 HG2 ARG 6 HG3 ARG 6 -8.006 5.755 -2.763
46 HG3 ARG 6 HG2 ARG 6 -8.468 4.820 -1.336
47 HD2 ARG 6 HD2 ARG 6 -9.953 6.609 -0.588
48 HD3 ARG 6 HD3 ARG 6 -9.452 7.627 -1.957
49 HE ARG 6 HE ARG 6 -10.388 5.140 -2.993
50 HH11 ARG 6 HH11 ARG 6 -11.791 8.021 -1.361
51 HH12 ARG 6 HH12 ARG 6 -13.349 7.769 -2.115
52 HH21 ARG 6 HH21 ARG 6 -12.398 4.924 -3.884
53 HH22 ARG 6 HH22 ARG 6 -13.683 6.051 -3.513
54 H GLY 7 H GLY 7 -4.221 4.594 0.284
55 HA2 GLY 7 HA2 GLY 7 -2.174 6.757 0.507
56 HA3 GLY 7 HA3 GLY 7 -2.404 5.409 1.642
57 H ASP 8 H ASP 8 -2.690 4.063 -1.449
58 HA ASP 8 HA ASP 8 -1.475 2.837 -2.862
59 HB2 ASP 8 HB3 ASP 8 -0.181 4.943 -3.196
60 HB3 ASP 8 HB2 ASP 8 1.016 4.335 -2.047
61 H ASN 9 H ASN 9 -2.156 1.717 -0.355
62 HA ASN 9 HA ASN 9 -1.652 0.049 1.115
63 HB2 ASN 9 HB3 ASN 9 -2.014 -0.990 -1.126
64 HB3 ASN 9 HB2 ASN 9 -0.263 -1.195 -1.250
65 HD21 ASN 9 HD21 ASN 9 -3.173 -2.235 0.549
66 HD22 ASN 9 HD22 ASN 9 -2.478 -3.725 1.147
67 H VAL 10 H VAL 10 0.037 2.112 1.656
68 HA VAL 10 HA VAL 10 1.819 2.746 2.756
69 HB VAL 10 HB VAL 10 1.067 1.186 4.401
70 HG11 VAL 10 HG21 VAL 10 1.636 -1.012 3.400
71 HG12 VAL 10 HG22 VAL 10 2.212 -0.804 5.071
72 HG13 VAL 10 HG23 VAL 10 3.355 -0.670 3.713
73 HG21 VAL 10 HG11 VAL 10 2.847 2.872 4.803
74 HG22 VAL 10 HG12 VAL 10 2.920 1.465 5.892
75 HG23 VAL 10 HG13 VAL 10 4.063 1.600 4.534
76 H HIS 11 H HIS 11 2.246 3.051 0.415
77 HA HIS 11 HA HIS 11 3.748 3.431 -1.241
78 HB2 HIS 11 HB2 HIS 11 5.733 2.984 0.988
79 HB3 HIS 11 HB3 HIS 11 6.252 3.399 -0.647
80 HD2 HIS 11 HD2 HIS 11 7.285 5.330 1.271
81 HE1 HIS 11 HE1 HIS 11 4.079 7.888 0.575
82 HE2 HIS 11 HE2 HIS 11 6.460 7.836 1.522
83 H ASN 12 H ASN 12 2.535 1.073 -1.598
84 HA ASN 12 HA ASN 12 2.565 -0.815 -2.809
85 HB2 ASN 12 HB2 ASN 12 5.432 -0.250 -3.589
86 HB3 ASN 12 HB3 ASN 12 4.412 -1.521 -4.274
87 HD21 ASN 12 HD21 ASN 12 2.492 -0.819 -5.585
88 HD22 ASN 12 HD22 ASN 12 2.559 0.726 -6.403
89 H SER 13 H SER 13 2.582 -1.121 -0.153
90 HA SER 13 HA SER 13 2.990 -2.531 1.586
91 HB2 SER 13 HB2 SER 13 2.054 -4.149 0.092
92 HB3 SER 13 HB3 SER 13 3.639 -4.465 -0.643
93 HG SER 13 HG SER 13 3.070 -6.036 0.950
94 H SER 14 H SER 14 4.579 -0.861 2.074
95 HA SER 14 HA SER 14 6.630 -0.109 2.766
96 HB2 SER 14 HB2 SER 14 6.214 -1.962 4.359
97 HB3 SER 14 HB3 SER 14 7.131 -3.065 3.310
98 HG SER 14 HG SER 14 8.421 -2.179 5.012
99 H SER 15 H SER 15 6.396 -0.260 -0.107
100 HA SER 15 HA SER 15 7.748 -0.105 -2.004
101 HB2 SER 15 HB3 SER 15 9.436 0.938 -0.354
102 HB3 SER 15 HB2 SER 15 10.248 -0.642 -0.372
103 HG SER 15 HG SER 15 11.096 0.810 -1.961
104 H SER 16 H SER 16 7.774 -3.008 -0.072
105 HA SER 16 HA SER 16 7.803 -4.858 -2.257
106 HB2 SER 16 HB2 SER 16 10.343 -4.053 -1.983
107 HB3 SER 16 HB3 SER 16 10.323 -5.144 -0.581
108 HG SER 16 HG SER 16 11.003 -6.201 -2.521
109 H LEU 17 H LEU 17 8.616 -4.382 1.256
110 HA LEU 17 HA LEU 17 8.051 -7.166 1.955
111 HB2 LEU 17 HB2 LEU 17 8.597 -4.749 3.700
112 HB3 LEU 17 HB3 LEU 17 8.400 -6.391 4.315
113 HG LEU 17 HG LEU 17 10.595 -5.530 2.386
114 HD11 LEU 17 HD21 LEU 17 10.797 -4.372 4.575
115 HD12 LEU 17 HD22 LEU 17 10.812 -5.954 5.391
116 HD13 LEU 17 HD23 LEU 17 12.132 -5.513 4.281
117 HD21 LEU 17 HD11 LEU 17 10.103 -7.967 2.320
118 HD22 LEU 17 HD12 LEU 17 10.406 -8.059 4.071
119 HD23 LEU 17 HD13 LEU 17 11.726 -7.618 2.962
120 HXT LEU 17 HXT LEU 17 4.607 -7.018 2.597
Start of MODEL 8
1 H1 ASN 1 H1 ASN 1 -5.163 7.711 -8.600
2 H2 ASN 1 H2 ASN 1 -5.650 6.666 -9.778
3 H3 ASN 1 H3 ASN 1 -6.171 8.230 -9.797
4 HA ASN 1 HA ASN 1 -7.417 7.959 -7.831
5 HB2 ASN 1 HB3 ASN 1 -7.977 5.905 -9.992
6 HB3 ASN 1 HB2 ASN 1 -9.077 6.199 -8.638
7 HD21 ASN 1 HD21 ASN 1 -8.144 7.230 -11.809
8 HD22 ASN 1 HD22 ASN 1 -9.158 8.653 -11.889
9 H VAL 2 H VAL 2 -6.078 4.713 -8.729
10 HA VAL 2 HA VAL 2 -6.656 3.519 -6.175
11 HB VAL 2 HB VAL 2 -4.516 2.528 -8.033
12 HG11 VAL 2 HG21 VAL 2 -4.711 1.388 -5.826
13 HG12 VAL 2 HG22 VAL 2 -4.968 0.319 -7.225
14 HG13 VAL 2 HG23 VAL 2 -6.360 0.889 -6.274
15 HG21 VAL 2 HG11 VAL 2 -6.565 2.856 -9.418
16 HG22 VAL 2 HG12 VAL 2 -6.034 1.162 -9.291
17 HG23 VAL 2 HG13 VAL 2 -7.426 1.733 -8.339
18 H HIS 3 H HIS 3 -3.726 5.295 -7.314
19 HA HIS 3 HA HIS 3 -1.958 4.619 -5.190
20 HB2 HIS 3 HB2 HIS 3 -1.504 5.854 -7.403
21 HB3 HIS 3 HB3 HIS 3 -2.002 7.327 -6.550
22 HD2 HIS 3 HD2 HIS 3 0.953 5.022 -7.083
23 HE1 HIS 3 HE1 HIS 3 2.110 7.513 -3.956
24 HE2 HIS 3 HE2 HIS 3 3.019 5.772 -5.601
25 H THR 4 H THR 4 -4.468 7.165 -5.341
26 HA THR 4 HA THR 4 -4.086 7.842 -2.485
27 HB THR 4 HB THR 4 -5.658 9.698 -3.004
28 HG1 THR 4 HG1 THR 4 -5.481 8.849 -5.704
29 HG21 THR 4 HG21 THR 4 -4.218 11.081 -4.437
30 HG22 THR 4 HG22 THR 4 -3.283 9.637 -4.893
31 HG23 THR 4 HG23 THR 4 -3.280 10.204 -3.205
32 H PHE 5 H PHE 5 -5.190 5.162 -3.273
33 HA PHE 5 HA PHE 5 -8.046 5.174 -2.740
34 HB2 PHE 5 HB2 PHE 5 -7.111 3.445 -4.171
35 HB3 PHE 5 HB3 PHE 5 -6.095 2.852 -2.859
36 HD1 PHE 5 HD1 PHE 5 -6.758 0.670 -2.437
37 HD2 PHE 5 HD2 PHE 5 -9.808 3.645 -2.938
38 HE1 PHE 5 HE1 PHE 5 -8.491 -1.013 -1.924
39 HE2 PHE 5 HE2 PHE 5 -11.533 1.964 -2.389
40 HZ PHE 5 HZ PHE 5 -10.876 -0.368 -1.901
41 H ARG 6 H ARG 6 -5.447 3.556 -0.957
42 HA ARG 6 HA ARG 6 -6.338 4.737 1.637
43 HB2 ARG 6 HB2 ARG 6 -5.756 1.789 1.107
44 HB3 ARG 6 HB3 ARG 6 -6.110 2.500 2.693
45 HG2 ARG 6 HG2 ARG 6 -8.373 2.970 2.098
46 HG3 ARG 6 HG3 ARG 6 -8.062 2.726 0.372
47 HD2 ARG 6 HD2 ARG 6 -7.896 0.351 0.657
48 HD3 ARG 6 HD3 ARG 6 -7.889 0.501 2.426
49 HE ARG 6 HE ARG 6 -10.293 1.675 1.568
50 HH11 ARG 6 HH11 ARG 6 -12.232 0.611 1.513
51 HH12 ARG 6 HH12 ARG 6 -12.309 -1.134 1.419
52 HH21 ARG 6 HH21 ARG 6 -8.867 -1.622 1.375
53 HH22 ARG 6 HH22 ARG 6 -10.447 -2.373 1.343
54 H GLY 7 H GLY 7 -4.274 5.661 0.098
55 HA2 GLY 7 HA2 GLY 7 -2.108 6.432 0.412
56 HA3 GLY 7 HA3 GLY 7 -1.962 5.412 1.850
57 H ASP 8 H ASP 8 -2.736 4.112 -1.389
58 HA ASP 8 HA ASP 8 -1.728 2.585 -2.711
59 HB2 ASP 8 HB3 ASP 8 -0.337 4.680 -3.071
60 HB3 ASP 8 HB2 ASP 8 0.924 3.883 -2.121
61 H ASN 9 H ASN 9 -2.194 1.534 -0.106
62 HA ASN 9 HA ASN 9 -1.736 -0.209 1.234
63 HB2 ASN 9 HB2 ASN 9 -2.034 -1.254 -0.981
64 HB3 ASN 9 HB3 ASN 9 -0.279 -1.404 -1.114
65 HD21 ASN 9 HD21 ASN 9 -3.174 -2.541 0.643
66 HD22 ASN 9 HD22 ASN 9 -2.443 -4.007 1.256
67 H VAL 10 H VAL 10 -0.251 1.829 1.947
68 HA VAL 10 HA VAL 10 1.389 2.527 3.196
69 HB VAL 10 HB VAL 10 0.743 0.732 4.649
70 HG11 VAL 10 HG11 VAL 10 1.674 -1.275 3.521
71 HG12 VAL 10 HG12 VAL 10 3.307 -0.726 3.970
72 HG13 VAL 10 HG13 VAL 10 2.125 -1.132 5.237
73 HG21 VAL 10 HG21 VAL 10 2.248 2.601 5.298
74 HG22 VAL 10 HG22 VAL 10 2.459 1.127 6.274
75 HG23 VAL 10 HG23 VAL 10 3.642 1.533 5.007
76 H HIS 11 H HIS 11 1.902 3.168 1.001
77 HA HIS 11 HA HIS 11 3.445 3.931 -0.473
78 HB2 HIS 11 HB2 HIS 11 4.614 4.424 1.784
79 HB3 HIS 11 HB3 HIS 11 5.747 3.147 1.307
80 HD2 HIS 11 HD2 HIS 11 7.339 5.506 1.553
81 HE1 HIS 11 HE1 HIS 11 6.601 6.692 -2.367
82 HE2 HIS 11 HE2 HIS 11 8.186 7.098 -0.390
83 H ASN 12 H ASN 12 2.433 1.627 -1.304
84 HA ASN 12 HA ASN 12 2.651 -0.007 -2.822
85 HB2 ASN 12 HB2 ASN 12 4.275 1.637 -3.928
86 HB3 ASN 12 HB3 ASN 12 5.565 0.575 -3.336
87 HD21 ASN 12 HD21 ASN 12 2.566 0.613 -5.328
88 HD22 ASN 12 HD22 ASN 12 3.036 -0.709 -6.373
89 H SER 13 H SER 13 2.492 -0.822 -0.286
90 HA SER 13 HA SER 13 2.896 -2.519 1.180
91 HB2 SER 13 HB2 SER 13 3.244 -4.720 0.418
92 HB3 SER 13 HB3 SER 13 2.356 -3.883 -0.869
93 HG SER 13 HG SER 13 4.383 -5.273 -1.325
94 H SER 14 H SER 14 4.313 -0.818 2.110
95 HA SER 14 HA SER 14 6.262 -0.076 3.070
96 HB2 SER 14 HB2 SER 14 5.851 -2.205 4.283
97 HB3 SER 14 HB3 SER 14 6.935 -3.045 3.153
98 HG SER 14 HG SER 14 8.007 -2.391 5.092
99 H SER 15 H SER 15 6.253 0.222 0.183
100 HA SER 15 HA SER 15 7.729 0.754 -1.547
101 HB2 SER 15 HB3 SER 15 9.164 1.672 0.387
102 HB3 SER 15 HB2 SER 15 10.121 0.184 0.229
103 HG SER 15 HG SER 15 10.962 1.919 -1.048
104 H SER 16 H SER 16 7.811 -2.401 -0.096
105 HA SER 16 HA SER 16 8.277 -3.838 -2.535
106 HB2 SER 16 HB2 SER 16 10.684 -2.973 -1.741
107 HB3 SER 16 HB3 SER 16 10.546 -4.306 -0.574
108 HG SER 16 HG SER 16 11.562 -4.955 -2.547
109 H LEU 17 H LEU 17 8.577 -3.984 1.095
110 HA LEU 17 HA LEU 17 7.955 -6.858 1.149
111 HB2 LEU 17 HB2 LEU 17 8.376 -4.855 3.388
112 HB3 LEU 17 HB3 LEU 17 8.083 -6.577 3.646
113 HG LEU 17 HG LEU 17 10.477 -5.444 2.136
114 HD11 LEU 17 HD21 LEU 17 10.487 -4.753 4.523
115 HD12 LEU 17 HD22 LEU 17 10.385 -6.464 5.002
116 HD13 LEU 17 HD23 LEU 17 11.819 -5.867 4.132
117 HD21 LEU 17 HD11 LEU 17 9.941 -7.796 1.536
118 HD22 LEU 17 HD12 LEU 17 10.066 -8.246 3.254
119 HD23 LEU 17 HD13 LEU 17 11.500 -7.650 2.384
120 HXT LEU 17 HXT LEU 17 4.448 -6.602 1.376
Start of MODEL 9
1 H1 ASN 1 H1 ASN 1 -11.532 2.583 -2.905
2 H2 ASN 1 H2 ASN 1 -11.176 1.193 -3.719
3 H3 ASN 1 H3 ASN 1 -11.993 2.407 -4.479
4 HA ASN 1 HA ASN 1 -9.213 2.490 -3.533
5 HB2 ASN 1 HB2 ASN 1 -9.813 1.094 -5.588
6 HB3 ASN 1 HB3 ASN 1 -10.261 2.605 -6.393
7 HD21 ASN 1 HD21 ASN 1 -7.566 0.619 -5.207
8 HD22 ASN 1 HD22 ASN 1 -6.300 1.528 -6.001
9 H VAL 2 H VAL 2 -10.568 4.395 -2.273
10 HA VAL 2 HA VAL 2 -10.826 6.867 -3.846
11 HB VAL 2 HB VAL 2 -11.142 6.344 -0.868
12 HG11 VAL 2 HG11 VAL 2 -10.536 8.729 -1.283
13 HG12 VAL 2 HG12 VAL 2 -12.168 8.522 -0.603
14 HG13 VAL 2 HG13 VAL 2 -11.965 8.877 -2.335
15 HG21 VAL 2 HG21 VAL 2 -12.917 5.287 -2.267
16 HG22 VAL 2 HG22 VAL 2 -13.334 6.896 -2.901
17 HG23 VAL 2 HG23 VAL 2 -13.538 6.542 -1.169
18 H HIS 3 H HIS 3 -8.894 6.102 -0.915
19 HA HIS 3 HA HIS 3 -6.768 8.031 -1.517
20 HB2 HIS 3 HB2 HIS 3 -7.870 7.230 0.702
21 HB3 HIS 3 HB3 HIS 3 -6.856 5.788 0.549
22 HD2 HIS 3 HD2 HIS 3 -5.924 6.724 3.031
23 HE1 HIS 3 HE1 HIS 3 -3.387 9.572 1.371
24 HE2 HIS 3 HE2 HIS 3 -3.873 8.321 3.553
25 H THR 4 H THR 4 -7.274 5.270 -3.083
26 HA THR 4 HA THR 4 -6.237 3.910 -4.393
27 HB THR 4 HB THR 4 -4.113 4.059 -5.192
28 HG1 THR 4 HG1 THR 4 -2.445 5.192 -4.253
29 HG21 THR 4 HG21 THR 4 -3.752 6.416 -5.767
30 HG22 THR 4 HG22 THR 4 -5.452 5.923 -5.950
31 HG23 THR 4 HG23 THR 4 -4.954 6.893 -4.543
32 H PHE 5 H PHE 5 -7.301 2.762 -2.438
33 HA PHE 5 HA PHE 5 -7.426 0.941 -1.146
34 HB2 PHE 5 HB3 PHE 5 -6.571 -0.153 -3.209
35 HB3 PHE 5 HB2 PHE 5 -4.959 -0.160 -2.478
36 HD1 PHE 5 HD1 PHE 5 -4.281 -2.130 -1.430
37 HD2 PHE 5 HD2 PHE 5 -8.474 -1.234 -1.566
38 HE1 PHE 5 HE1 PHE 5 -4.780 -4.266 -0.293
39 HE2 PHE 5 HE2 PHE 5 -8.963 -3.357 -0.400
40 HZ PHE 5 HZ PHE 5 -7.117 -4.870 0.236
41 H ARG 6 H ARG 6 -6.812 2.871 0.291
42 HA ARG 6 HA ARG 6 -6.161 3.511 2.340
43 HB2 ARG 6 HB3 ARG 6 -5.224 0.667 2.744
44 HB3 ARG 6 HB2 ARG 6 -5.413 1.887 4.014
45 HG2 ARG 6 HG2 ARG 6 -7.581 1.402 4.227
46 HG3 ARG 6 HG3 ARG 6 -7.870 1.766 2.522
47 HD2 ARG 6 HD3 ARG 6 -8.702 -0.436 2.898
48 HD3 ARG 6 HD2 ARG 6 -7.184 -0.623 2.002
49 HE ARG 6 HE ARG 6 -7.568 -1.222 4.907
50 HH11 ARG 6 HH11 ARG 6 -6.256 -2.767 5.768
51 HH12 ARG 6 HH12 ARG 6 -4.965 -3.490 4.834
52 HH21 ARG 6 HH21 ARG 6 -5.577 -1.667 1.942
53 HH22 ARG 6 HH22 ARG 6 -4.588 -2.883 2.718
54 H GLY 7 H GLY 7 -4.879 4.686 0.859
55 HA2 GLY 7 HA2 GLY 7 -3.035 6.027 0.549
56 HA3 GLY 7 HA3 GLY 7 -2.365 5.362 2.046
57 H ASP 8 H ASP 8 -3.014 4.035 -1.265
58 HA ASP 8 HA ASP 8 -1.720 2.811 -2.693
59 HB2 ASP 8 HB2 ASP 8 -0.588 5.025 -2.770
60 HB3 ASP 8 HB3 ASP 8 0.627 4.411 -1.644
61 H ASN 9 H ASN 9 -2.323 1.440 -0.254
62 HA ASN 9 HA ASN 9 -1.757 -0.321 1.048
63 HB2 ASN 9 HB3 ASN 9 -1.963 -1.241 -1.233
64 HB3 ASN 9 HB2 ASN 9 -0.202 -1.222 -1.367
65 HD21 ASN 9 HD21 ASN 9 -2.909 -2.675 0.497
66 HD22 ASN 9 HD22 ASN 9 -2.052 -4.145 0.904
67 H VAL 10 H VAL 10 -0.317 1.827 1.840
68 HA VAL 10 HA VAL 10 1.357 2.542 3.058
69 HB VAL 10 HB VAL 10 0.653 0.816 4.553
70 HG11 VAL 10 HG21 VAL 10 1.462 -1.252 3.446
71 HG12 VAL 10 HG22 VAL 10 3.126 -0.792 3.882
72 HG13 VAL 10 HG23 VAL 10 1.929 -1.115 5.159
73 HG21 VAL 10 HG11 VAL 10 2.255 2.611 5.168
74 HG22 VAL 10 HG12 VAL 10 2.392 1.143 6.165
75 HG23 VAL 10 HG13 VAL 10 3.590 1.466 4.889
76 H HIS 11 H HIS 11 1.879 3.030 0.761
77 HA HIS 11 HA HIS 11 3.444 3.671 -0.748
78 HB2 HIS 11 HB2 HIS 11 4.590 4.329 1.477
79 HB3 HIS 11 HB3 HIS 11 5.717 3.010 1.116
80 HD2 HIS 11 HD2 HIS 11 7.329 5.365 1.198
81 HE1 HIS 11 HE1 HIS 11 6.652 6.247 -2.811
82 HE2 HIS 11 HE2 HIS 11 8.217 6.792 -0.854
83 H ASN 12 H ASN 12 2.420 1.278 -1.383
84 HA ASN 12 HA ASN 12 2.658 -0.499 -2.737
85 HB2 ASN 12 HB2 ASN 12 5.513 0.340 -3.287
86 HB3 ASN 12 HB3 ASN 12 4.641 -0.941 -4.135
87 HD21 ASN 12 HD21 ASN 12 2.749 -0.278 -5.503
88 HD22 ASN 12 HD22 ASN 12 2.746 1.327 -6.199
89 H SER 13 H SER 13 2.550 -1.052 -0.130
90 HA SER 13 HA SER 13 2.979 -2.577 1.498
91 HB2 SER 13 HB2 SER 13 3.339 -4.847 0.972
92 HB3 SER 13 HB3 SER 13 2.426 -4.158 -0.384
93 HG SER 13 HG SER 13 4.460 -5.572 -0.718
94 H SER 14 H SER 14 4.386 -0.805 2.259
95 HA SER 14 HA SER 14 6.336 0.042 3.124
96 HB2 SER 14 HB3 SER 14 5.966 -1.983 4.523
97 HB3 SER 14 HB2 SER 14 7.053 -2.897 3.457
98 HG SER 14 HG SER 14 8.135 -2.063 5.323
99 H SER 15 H SER 15 6.293 0.080 0.223
100 HA SER 15 HA SER 15 7.747 0.478 -1.561
101 HB2 SER 15 HB3 SER 15 9.190 1.575 0.274
102 HB3 SER 15 HB2 SER 15 10.163 0.089 0.231
103 HG SER 15 HG SER 15 10.970 1.721 -1.198
104 H SER 16 H SER 16 7.877 -2.538 0.156
105 HA SER 16 HA SER 16 8.353 -4.169 -2.158
106 HB2 SER 16 HB2 SER 16 10.748 -3.215 -1.442
107 HB3 SER 16 HB3 SER 16 10.628 -4.449 -0.170
108 HG SER 16 HG SER 16 11.648 -5.244 -2.087
109 H LEU 17 H LEU 17 8.650 -4.018 1.471
110 HA LEU 17 HA LEU 17 8.104 -6.873 1.751
111 HB2 LEU 17 HB2 LEU 17 8.467 -4.709 3.827
112 HB3 LEU 17 HB3 LEU 17 8.207 -6.410 4.218
113 HG LEU 17 HG LEU 17 10.570 -5.351 2.612
114 HD11 LEU 17 HD21 LEU 17 10.579 -4.491 4.943
115 HD12 LEU 17 HD22 LEU 17 11.929 -5.607 4.625
116 HD13 LEU 17 HD23 LEU 17 10.511 -6.164 5.545
117 HD21 LEU 17 HD11 LEU 17 10.074 -7.751 2.186
118 HD22 LEU 17 HD12 LEU 17 11.633 -7.515 3.012
119 HD23 LEU 17 HD13 LEU 17 10.215 -8.073 3.931
120 HXT LEU 17 HXT LEU 17 4.690 -5.401 3.317