Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612872 | 5mxl RC | 34090 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 3.348 3.323 -0.724
2 H2 GLY 1 H2 GLY 1 2.171 4.404 -1.120
3 H3 GLY 1 H3 GLY 1 1.848 2.786 -1.123
4 HA2 GLY 1 HA2 GLY 1 2.503 4.410 1.232
5 HA3 GLY 1 HA3 GLY 1 0.885 3.814 0.804
6 H LEU 2 H LEU 2 1.323 2.989 3.147
7 HA LEU 2 HA LEU 2 1.959 0.134 2.933
8 HB2 LEU 2 HB2 LEU 2 4.170 1.132 3.369
9 HB3 LEU 2 HB3 LEU 2 3.497 2.030 4.740
10 HG LEU 2 HG LEU 2 3.044 -0.070 5.941
11 HD11 LEU 2 HD11 LEU 2 2.678 -1.585 4.023
12 HD12 LEU 2 HD12 LEU 2 4.377 -1.391 3.530
13 HD13 LEU 2 HD13 LEU 2 3.980 -2.198 5.062
14 HD21 LEU 2 HD21 LEU 2 5.216 1.073 6.202
15 HD22 LEU 2 HD22 LEU 2 5.385 -0.689 6.361
16 HD23 LEU 2 HD23 LEU 2 5.884 0.120 4.856
17 H PHE 3 H PHE 3 0.720 2.918 4.776
18 HA PHE 3 HA PHE 3 -0.024 1.513 7.059
19 HB2 PHE 3 HB2 PHE 3 -0.905 4.108 5.913
20 HB3 PHE 3 HB3 PHE 3 -1.800 3.393 7.254
21 HD1 PHE 3 HD1 PHE 3 -0.763 2.899 9.390
22 HD2 PHE 3 HD2 PHE 3 1.355 4.993 6.299
23 HE1 PHE 3 HE1 PHE 3 0.896 3.681 11.066
24 HE2 PHE 3 HE2 PHE 3 3.023 5.776 7.966
25 HZ PHE 3 HZ PHE 3 2.786 5.123 10.354
26 H ASP 4 H ASP 4 -1.736 1.447 4.002
27 HA ASP 4 HA ASP 4 -4.191 0.558 5.132
28 HB2 ASP 4 HB2 ASP 4 -2.967 0.075 2.399
29 HB3 ASP 4 HB3 ASP 4 -4.604 -0.419 2.849
30 H ILE 5 H ILE 5 -1.165 -1.086 4.519
31 HA ILE 5 HA ILE 5 -2.259 -3.760 4.961
32 HB ILE 5 HB ILE 5 0.560 -2.636 4.773
33 HG12 ILE 5 HG12 ILE 5 -1.085 -4.332 2.844
34 HG13 ILE 5 HG13 ILE 5 -0.836 -2.583 2.702
35 HG21 ILE 5 HG21 ILE 5 1.315 -4.987 4.656
36 HG22 ILE 5 HG22 ILE 5 0.524 -4.647 6.201
37 HG23 ILE 5 HG23 ILE 5 -0.354 -5.539 4.933
38 HD11 ILE 5 HD11 ILE 5 0.701 -3.726 1.224
39 HD12 ILE 5 HD12 ILE 5 1.610 -2.935 2.530
40 HD13 ILE 5 HD13 ILE 5 1.341 -4.700 2.567
41 H VAL 6 H VAL 6 -0.549 -1.228 6.833
42 HA VAL 6 HA VAL 6 -0.053 -2.847 9.133
43 HB VAL 6 HB VAL 6 -0.398 0.168 8.878
44 HG11 VAL 6 HG11 VAL 6 0.913 -1.520 11.048
45 HG12 VAL 6 HG12 VAL 6 0.964 0.260 10.944
46 HG13 VAL 6 HG13 VAL 6 -0.578 -0.568 11.218
47 HG21 VAL 6 HG21 VAL 6 1.389 -0.739 7.425
48 HG22 VAL 6 HG22 VAL 6 2.064 0.195 8.770
49 HG23 VAL 6 HG23 VAL 6 2.096 -1.587 8.819
50 H LYS 7 H LYS 7 -2.850 -0.776 8.202
51 HA LYS 7 HA LYS 7 -4.182 -1.072 10.725
52 HB2 LYS 7 HB2 LYS 7 -5.244 -0.454 7.943
53 HB3 LYS 7 HB3 LYS 7 -6.203 -0.358 9.424
54 HG2 LYS 7 HG2 LYS 7 -3.688 1.277 8.861
55 HG3 LYS 7 HG3 LYS 7 -5.360 1.854 8.740
56 HD2 LYS 7 HD2 LYS 7 -5.659 1.339 11.181
57 HD3 LYS 7 HD3 LYS 7 -3.927 0.920 11.262
58 HE2 LYS 7 HE2 LYS 7 -3.341 3.184 10.466
59 HE3 LYS 7 HE3 LYS 7 -5.059 3.601 10.371
60 HZ1 LYS 7 HZ1 LYS 7 -3.630 2.850 12.835
61 HZ2 LYS 7 HZ2 LYS 7 -4.075 4.373 12.406
62 HZ3 LYS 7 HZ3 LYS 7 -5.221 3.239 12.739
63 H LYS 8 H LYS 8 -3.956 -3.156 7.865
64 HA LYS 8 HA LYS 8 -6.187 -4.843 8.644
65 HB2 LYS 8 HB2 LYS 8 -5.419 -4.649 6.308
66 HB3 LYS 8 HB3 LYS 8 -3.844 -5.328 6.762
67 HG2 LYS 8 HG2 LYS 8 -4.900 -7.455 7.378
68 HG3 LYS 8 HG3 LYS 8 -6.513 -6.759 7.142
69 HD2 LYS 8 HD2 LYS 8 -5.917 -8.120 5.213
70 HD3 LYS 8 HD3 LYS 8 -6.028 -6.413 4.750
71 HE2 LYS 8 HE2 LYS 8 -4.088 -7.420 3.688
72 HE3 LYS 8 HE3 LYS 8 -3.549 -6.232 4.882
73 HZ1 LYS 8 HZ1 LYS 8 -3.657 -9.149 5.280
74 HZ2 LYS 8 HZ2 LYS 8 -2.295 -8.278 5.016
75 HZ3 LYS 8 HZ3 LYS 8 -3.144 -8.069 6.406
76 H VAL 9 H VAL 9 -2.717 -4.723 9.379
77 HA VAL 9 HA VAL 9 -2.640 -7.382 10.587
78 HB VAL 9 HB VAL 9 -0.825 -4.939 10.693
79 HG11 VAL 9 HG11 VAL 9 -0.392 -7.705 11.889
80 HG12 VAL 9 HG12 VAL 9 0.859 -6.445 11.713
81 HG13 VAL 9 HG13 VAL 9 -0.528 -6.175 12.786
82 HG21 VAL 9 HG21 VAL 9 -0.948 -6.158 8.532
83 HG22 VAL 9 HG22 VAL 9 0.647 -6.350 9.297
84 HG23 VAL 9 HG23 VAL 9 -0.538 -7.672 9.370
85 H VAL 10 H VAL 10 -3.131 -4.003 11.728
86 HA VAL 10 HA VAL 10 -3.247 -4.706 14.528
87 HB VAL 10 HB VAL 10 -4.242 -2.342 12.880
88 HG11 VAL 10 HG11 VAL 10 -5.655 -2.468 14.877
89 HG12 VAL 10 HG12 VAL 10 -4.217 -2.683 15.900
90 HG13 VAL 10 HG13 VAL 10 -4.492 -1.147 15.047
91 HG21 VAL 10 HG21 VAL 10 -2.344 -1.187 13.936
92 HG22 VAL 10 HG22 VAL 10 -1.929 -2.662 14.836
93 HG23 VAL 10 HG23 VAL 10 -1.775 -2.629 13.063
94 H GLY 11 H GLY 11 -5.552 -4.736 11.827
95 HA2 GLY 11 HA2 GLY 11 -7.964 -4.829 13.327
96 HA3 GLY 11 HA3 GLY 11 -7.715 -5.457 11.684
97 H ALA 12 H ALA 12 -5.552 -7.323 12.545
98 HA ALA 12 HA ALA 12 -7.204 -9.571 13.257
99 HB1 ALA 12 HB1 ALA 12 -4.169 -9.249 13.209
100 HB2 ALA 12 HB2 ALA 12 -5.053 -10.788 13.243
101 HB3 ALA 12 HB3 ALA 12 -5.183 -9.726 11.823
102 H LEU 13 H LEU 13 -5.235 -7.256 15.055
103 HA LEU 13 HA LEU 13 -5.221 -8.835 17.507
104 HB2 LEU 13 HB2 LEU 13 -4.559 -5.896 17.089
105 HB3 LEU 13 HB3 LEU 13 -4.111 -6.893 18.477
106 HG LEU 13 HG LEU 13 -3.136 -7.290 15.608
107 HD11 LEU 13 HD11 LEU 13 -1.727 -6.259 18.103
108 HD12 LEU 13 HD12 LEU 13 -0.979 -6.532 16.510
109 HD13 LEU 13 HD13 LEU 13 -2.228 -5.277 16.706
110 HD21 LEU 13 HD21 LEU 13 -3.239 -9.427 16.835
111 HD22 LEU 13 HD22 LEU 13 -1.556 -8.905 16.641
112 HD23 LEU 13 HD23 LEU 13 -2.380 -8.694 18.210
113 H GLY 14 H GLY 14 -7.714 -7.426 15.938
114 HA2 GLY 14 HA2 GLY 14 -9.848 -6.975 16.697
115 HA3 GLY 14 HA3 GLY 14 -9.275 -7.058 18.377
116 HN1 NH2 15 HN1 NH2 15 -7.240 -5.007 16.545
117 HN2 NH2 15 HN2 NH2 15 -7.978 -3.479 16.977
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 3.422 4.018 -0.133
2 H2 GLY 1 H2 GLY 1 2.181 4.902 -0.752
3 H3 GLY 1 H3 GLY 1 2.167 3.263 -0.891
4 HA2 GLY 1 HA2 GLY 1 2.005 4.769 1.626
5 HA3 GLY 1 HA3 GLY 1 0.641 3.965 0.817
6 H LEU 2 H LEU 2 1.149 3.278 3.386
7 HA LEU 2 HA LEU 2 1.914 0.449 3.129
8 HB2 LEU 2 HB2 LEU 2 4.058 1.572 3.592
9 HB3 LEU 2 HB3 LEU 2 3.331 2.384 4.988
10 HG LEU 2 HG LEU 2 3.005 0.219 6.122
11 HD11 LEU 2 HD11 LEU 2 4.436 -0.938 3.691
12 HD12 LEU 2 HD12 LEU 2 4.058 -1.817 5.193
13 HD13 LEU 2 HD13 LEU 2 2.744 -1.250 4.147
14 HD21 LEU 2 HD21 LEU 2 5.091 1.483 6.446
15 HD22 LEU 2 HD22 LEU 2 5.374 -0.269 6.536
16 HD23 LEU 2 HD23 LEU 2 5.831 0.635 5.072
17 H PHE 3 H PHE 3 0.499 3.137 4.989
18 HA PHE 3 HA PHE 3 -0.181 1.715 7.277
19 HB2 PHE 3 HB2 PHE 3 -1.321 4.152 5.986
20 HB3 PHE 3 HB3 PHE 3 -2.155 3.407 7.344
21 HD1 PHE 3 HD1 PHE 3 -1.222 3.272 9.548
22 HD2 PHE 3 HD2 PHE 3 0.889 5.240 6.361
23 HE1 PHE 3 HE1 PHE 3 0.268 4.345 11.207
24 HE2 PHE 3 HE2 PHE 3 2.387 6.316 8.022
25 HZ PHE 3 HZ PHE 3 2.085 5.872 10.442
26 H ASP 4 H ASP 4 -1.930 1.611 4.208
27 HA ASP 4 HA ASP 4 -4.212 0.376 5.404
28 HB2 ASP 4 HB2 ASP 4 -3.276 0.575 2.545
29 HB3 ASP 4 HB3 ASP 4 -4.714 -0.340 3.000
30 H ILE 5 H ILE 5 -1.135 -0.927 4.547
31 HA ILE 5 HA ILE 5 -2.063 -3.698 4.630
32 HB ILE 5 HB ILE 5 0.698 -2.420 4.673
33 HG12 ILE 5 HG12 ILE 5 -0.884 -3.846 2.492
34 HG13 ILE 5 HG13 ILE 5 -0.586 -2.102 2.585
35 HG21 ILE 5 HG21 ILE 5 -0.085 -5.352 4.397
36 HG22 ILE 5 HG22 ILE 5 1.565 -4.701 4.264
37 HG23 ILE 5 HG23 ILE 5 0.715 -4.622 5.807
38 HD11 ILE 5 HD11 ILE 5 1.520 -4.272 2.199
39 HD12 ILE 5 HD12 ILE 5 0.958 -3.096 0.997
40 HD13 ILE 5 HD13 ILE 5 1.870 -2.535 2.421
41 H VAL 6 H VAL 6 -0.466 -1.339 6.811
42 HA VAL 6 HA VAL 6 -0.063 -3.221 8.948
43 HB VAL 6 HB VAL 6 -0.227 -0.184 8.974
44 HG11 VAL 6 HG11 VAL 6 0.949 -2.143 10.982
45 HG12 VAL 6 HG12 VAL 6 1.118 -0.379 11.056
46 HG13 VAL 6 HG13 VAL 6 -0.486 -1.116 11.233
47 HG21 VAL 6 HG21 VAL 6 2.244 -0.293 8.895
48 HG22 VAL 6 HG22 VAL 6 2.162 -2.065 8.772
49 HG23 VAL 6 HG23 VAL 6 1.540 -1.050 7.457
50 H LYS 7 H LYS 7 -2.732 -1.031 8.052
51 HA LYS 7 HA LYS 7 -4.187 -1.219 10.488
52 HB2 LYS 7 HB2 LYS 7 -4.899 -0.590 7.618
53 HB3 LYS 7 HB3 LYS 7 -6.132 -0.609 8.901
54 HG2 LYS 7 HG2 LYS 7 -5.134 1.157 10.087
55 HG3 LYS 7 HG3 LYS 7 -3.573 0.962 9.289
56 HD2 LYS 7 HD2 LYS 7 -4.786 2.981 8.511
57 HD3 LYS 7 HD3 LYS 7 -4.451 1.840 7.201
58 HE2 LYS 7 HE2 LYS 7 -6.760 0.947 7.404
59 HE3 LYS 7 HE3 LYS 7 -7.106 2.160 8.652
60 HZ1 LYS 7 HZ1 LYS 7 -7.827 2.875 6.481
61 HZ2 LYS 7 HZ2 LYS 7 -6.629 3.863 7.020
62 HZ3 LYS 7 HZ3 LYS 7 -6.306 2.733 5.873
63 H LYS 8 H LYS 8 -3.904 -3.478 7.771
64 HA LYS 8 HA LYS 8 -6.174 -5.091 8.636
65 HB2 LYS 8 HB2 LYS 8 -3.879 -5.630 6.712
66 HB3 LYS 8 HB3 LYS 8 -5.254 -6.713 6.964
67 HG2 LYS 8 HG2 LYS 8 -6.819 -4.968 6.240
68 HG3 LYS 8 HG3 LYS 8 -5.486 -3.814 6.045
69 HD2 LYS 8 HD2 LYS 8 -4.462 -5.292 4.331
70 HD3 LYS 8 HD3 LYS 8 -5.833 -6.418 4.505
71 HE2 LYS 8 HE2 LYS 8 -7.388 -4.617 3.836
72 HE3 LYS 8 HE3 LYS 8 -6.025 -3.498 3.674
73 HZ1 LYS 8 HZ1 LYS 8 -6.405 -5.965 2.114
74 HZ2 LYS 8 HZ2 LYS 8 -6.656 -4.440 1.564
75 HZ3 LYS 8 HZ3 LYS 8 -5.138 -4.925 1.964
76 H VAL 9 H VAL 9 -2.696 -4.976 9.329
77 HA VAL 9 HA VAL 9 -2.633 -7.597 10.605
78 HB VAL 9 HB VAL 9 -0.762 -5.194 10.641
79 HG11 VAL 9 HG11 VAL 9 -0.443 -6.499 12.696
80 HG12 VAL 9 HG12 VAL 9 -0.349 -8.001 11.747
81 HG13 VAL 9 HG13 VAL 9 0.916 -6.761 11.580
82 HG21 VAL 9 HG21 VAL 9 -0.593 -7.889 9.235
83 HG22 VAL 9 HG22 VAL 9 -0.979 -6.335 8.455
84 HG23 VAL 9 HG23 VAL 9 0.626 -6.599 9.173
85 H VAL 10 H VAL 10 -2.970 -4.185 11.668
86 HA VAL 10 HA VAL 10 -3.107 -4.823 14.487
87 HB VAL 10 HB VAL 10 -3.990 -2.402 12.857
88 HG11 VAL 10 HG11 VAL 10 -5.263 -2.452 14.945
89 HG12 VAL 10 HG12 VAL 10 -3.775 -2.754 15.875
90 HG13 VAL 10 HG13 VAL 10 -4.011 -1.202 15.037
91 HG21 VAL 10 HG21 VAL 10 -1.538 -2.860 12.879
92 HG22 VAL 10 HG22 VAL 10 -1.941 -1.388 13.779
93 HG23 VAL 10 HG23 VAL 10 -1.574 -2.886 14.659
94 H GLY 11 H GLY 11 -5.436 -4.742 11.809
95 HA2 GLY 11 HA2 GLY 11 -7.826 -4.645 13.357
96 HA3 GLY 11 HA3 GLY 11 -7.661 -5.297 11.714
97 H ALA 12 H ALA 12 -5.597 -7.304 12.560
98 HA ALA 12 HA ALA 12 -7.365 -9.443 13.325
99 HB1 ALA 12 HB1 ALA 12 -5.294 -10.780 13.321
100 HB2 ALA 12 HB2 ALA 12 -5.372 -9.742 11.881
101 HB3 ALA 12 HB3 ALA 12 -4.322 -9.293 13.244
102 H LEU 13 H LEU 13 -5.289 -7.202 15.075
103 HA LEU 13 HA LEU 13 -5.354 -8.738 17.559
104 HB2 LEU 13 HB2 LEU 13 -4.517 -5.856 17.078
105 HB3 LEU 13 HB3 LEU 13 -4.132 -6.858 18.483
106 HG LEU 13 HG LEU 13 -3.176 -7.372 15.625
107 HD11 LEU 13 HD11 LEU 13 -1.722 -6.384 18.111
108 HD12 LEU 13 HD12 LEU 13 -0.976 -6.722 16.530
109 HD13 LEU 13 HD13 LEU 13 -2.144 -5.394 16.694
110 HD21 LEU 13 HD21 LEU 13 -3.417 -9.473 16.889
111 HD22 LEU 13 HD22 LEU 13 -1.702 -9.058 16.701
112 HD23 LEU 13 HD23 LEU 13 -2.522 -8.770 18.256
113 H GLY 14 H GLY 14 -7.752 -7.217 15.961
114 HA2 GLY 14 HA2 GLY 14 -9.863 -6.638 16.705
115 HA3 GLY 14 HA3 GLY 14 -9.295 -6.709 18.388
116 HN1 NH2 15 HN1 NH2 15 -7.163 -4.825 16.489
117 HN2 NH2 15 HN2 NH2 15 -7.801 -3.245 16.895
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 3.504 3.736 -0.228
2 H2 GLY 1 H2 GLY 1 2.301 4.776 -0.655
3 H3 GLY 1 H3 GLY 1 2.038 3.151 -0.693
4 HA2 GLY 1 HA2 GLY 1 2.549 4.756 1.713
5 HA3 GLY 1 HA3 GLY 1 0.971 4.116 1.214
6 H LEU 2 H LEU 2 1.304 3.246 3.543
7 HA LEU 2 HA LEU 2 2.115 0.433 3.301
8 HB2 LEU 2 HB2 LEU 2 4.216 1.539 3.938
9 HB3 LEU 2 HB3 LEU 2 3.382 2.369 5.265
10 HG LEU 2 HG LEU 2 2.957 0.222 6.393
11 HD11 LEU 2 HD11 LEU 2 4.568 -0.954 4.078
12 HD12 LEU 2 HD12 LEU 2 4.083 -1.829 5.550
13 HD13 LEU 2 HD13 LEU 2 2.847 -1.263 4.414
14 HD21 LEU 2 HD21 LEU 2 5.858 0.610 5.562
15 HD22 LEU 2 HD22 LEU 2 5.019 1.487 6.863
16 HD23 LEU 2 HD23 LEU 2 5.283 -0.263 7.005
17 H PHE 3 H PHE 3 0.561 3.087 5.112
18 HA PHE 3 HA PHE 3 -0.319 1.571 7.281
19 HB2 PHE 3 HB2 PHE 3 -1.250 4.116 6.052
20 HB3 PHE 3 HB3 PHE 3 -2.259 3.326 7.263
21 HD1 PHE 3 HD1 PHE 3 -1.526 2.990 9.532
22 HD2 PHE 3 HD2 PHE 3 0.928 5.094 6.706
23 HE1 PHE 3 HE1 PHE 3 -0.173 3.902 11.401
24 HE2 PHE 3 HE2 PHE 3 2.303 5.992 8.573
25 HZ PHE 3 HZ PHE 3 1.751 5.401 10.919
26 H ASP 4 H ASP 4 -1.734 1.551 4.054
27 HA ASP 4 HA ASP 4 -4.178 0.406 4.955
28 HB2 ASP 4 HB2 ASP 4 -2.826 0.424 2.254
29 HB3 ASP 4 HB3 ASP 4 -4.368 -0.395 2.543
30 H ILE 5 H ILE 5 -1.036 -0.975 4.493
31 HA ILE 5 HA ILE 5 -2.019 -3.735 4.629
32 HB ILE 5 HB ILE 5 0.751 -2.487 4.774
33 HG12 ILE 5 HG12 ILE 5 -0.659 -4.067 2.580
34 HG13 ILE 5 HG13 ILE 5 -0.443 -2.311 2.593
35 HG21 ILE 5 HG21 ILE 5 -0.041 -5.425 4.607
36 HG22 ILE 5 HG22 ILE 5 1.619 -4.781 4.541
37 HG23 ILE 5 HG23 ILE 5 0.676 -4.631 6.026
38 HD11 ILE 5 HD11 ILE 5 1.783 -4.385 2.474
39 HD12 ILE 5 HD12 ILE 5 1.264 -3.279 1.183
40 HD13 ILE 5 HD13 ILE 5 2.032 -2.628 2.641
41 H VAL 6 H VAL 6 -0.509 -1.307 6.805
42 HA VAL 6 HA VAL 6 -0.164 -3.133 8.987
43 HB VAL 6 HB VAL 6 -0.347 -0.093 8.931
44 HG11 VAL 6 HG11 VAL 6 0.762 -1.995 11.043
45 HG12 VAL 6 HG12 VAL 6 0.931 -0.223 11.054
46 HG13 VAL 6 HG13 VAL 6 -0.676 -0.961 11.206
47 HG21 VAL 6 HG21 VAL 6 1.450 -1.009 7.499
48 HG22 VAL 6 HG22 VAL 6 2.115 -0.190 8.928
49 HG23 VAL 6 HG23 VAL 6 2.059 -1.965 8.866
50 H LYS 7 H LYS 7 -2.860 -0.966 8.036
51 HA LYS 7 HA LYS 7 -4.248 -1.168 10.524
52 HB2 LYS 7 HB2 LYS 7 -5.120 -0.503 7.702
53 HB3 LYS 7 HB3 LYS 7 -6.246 -0.496 9.081
54 HG2 LYS 7 HG2 LYS 7 -4.875 1.129 10.276
55 HG3 LYS 7 HG3 LYS 7 -3.657 1.112 9.000
56 HD2 LYS 7 HD2 LYS 7 -6.540 2.051 8.700
57 HD3 LYS 7 HD3 LYS 7 -5.105 3.087 8.830
58 HE2 LYS 7 HE2 LYS 7 -4.201 2.062 6.751
59 HE3 LYS 7 HE3 LYS 7 -5.663 1.075 6.610
60 HZ1 LYS 7 HZ1 LYS 7 -5.761 3.041 5.251
61 HZ2 LYS 7 HZ2 LYS 7 -6.930 3.084 6.400
62 HZ3 LYS 7 HZ3 LYS 7 -5.578 4.015 6.563
63 H LYS 8 H LYS 8 -3.992 -3.401 7.812
64 HA LYS 8 HA LYS 8 -6.274 -5.008 8.683
65 HB2 LYS 8 HB2 LYS 8 -4.019 -5.561 6.720
66 HB3 LYS 8 HB3 LYS 8 -5.410 -6.625 7.006
67 HG2 LYS 8 HG2 LYS 8 -6.950 -4.765 6.376
68 HG3 LYS 8 HG3 LYS 8 -5.545 -3.754 5.992
69 HD2 LYS 8 HD2 LYS 8 -6.242 -6.419 4.680
70 HD3 LYS 8 HD3 LYS 8 -6.509 -4.811 3.971
71 HE2 LYS 8 HE2 LYS 8 -4.073 -4.372 4.055
72 HE3 LYS 8 HE3 LYS 8 -3.809 -5.992 4.736
73 HZ1 LYS 8 HZ1 LYS 8 -3.463 -5.944 2.356
74 HZ2 LYS 8 HZ2 LYS 8 -4.737 -6.913 2.723
75 HZ3 LYS 8 HZ3 LYS 8 -5.000 -5.423 2.101
76 H VAL 9 H VAL 9 -2.781 -4.914 9.287
77 HA VAL 9 HA VAL 9 -2.665 -7.539 10.533
78 HB VAL 9 HB VAL 9 -0.836 -5.101 10.597
79 HG11 VAL 9 HG11 VAL 9 -0.474 -6.419 12.633
80 HG12 VAL 9 HG12 VAL 9 -0.361 -7.913 11.667
81 HG13 VAL 9 HG13 VAL 9 0.879 -6.643 11.513
82 HG21 VAL 9 HG21 VAL 9 0.568 -6.459 9.099
83 HG22 VAL 9 HG22 VAL 9 -0.631 -7.777 9.150
84 HG23 VAL 9 HG23 VAL 9 -1.037 -6.220 8.391
85 H VAL 10 H VAL 10 -3.050 -4.148 11.663
86 HA VAL 10 HA VAL 10 -3.098 -4.845 14.465
87 HB VAL 10 HB VAL 10 -4.038 -2.411 12.894
88 HG11 VAL 10 HG11 VAL 10 -3.776 -2.803 15.907
89 HG12 VAL 10 HG12 VAL 10 -4.029 -1.238 15.099
90 HG13 VAL 10 HG13 VAL 10 -5.277 -2.490 15.009
91 HG21 VAL 10 HG21 VAL 10 -1.979 -1.392 13.797
92 HG22 VAL 10 HG22 VAL 10 -1.586 -2.911 14.636
93 HG23 VAL 10 HG23 VAL 10 -1.590 -2.849 12.862
94 H GLY 11 H GLY 11 -5.498 -4.700 11.847
95 HA2 GLY 11 HA2 GLY 11 -7.855 -4.669 13.436
96 HA3 GLY 11 HA3 GLY 11 -7.701 -5.297 11.777
97 H ALA 12 H ALA 12 -5.602 -7.286 12.570
98 HA ALA 12 HA ALA 12 -7.348 -9.445 13.330
99 HB1 ALA 12 HB1 ALA 12 -5.281 -10.776 13.244
100 HB2 ALA 12 HB2 ALA 12 -5.395 -9.706 11.827
101 HB3 ALA 12 HB3 ALA 12 -4.311 -9.285 13.175
102 H LEU 13 H LEU 13 -5.258 -7.217 15.080
103 HA LEU 13 HA LEU 13 -5.262 -8.805 17.528
104 HB2 LEU 13 HB2 LEU 13 -4.424 -5.916 17.093
105 HB3 LEU 13 HB3 LEU 13 -4.015 -6.948 18.469
106 HG LEU 13 HG LEU 13 -3.133 -7.392 15.580
107 HD11 LEU 13 HD11 LEU 13 -0.902 -6.776 16.443
108 HD12 LEU 13 HD12 LEU 13 -2.059 -5.443 16.640
109 HD13 LEU 13 HD13 LEU 13 -1.606 -6.446 18.038
110 HD21 LEU 13 HD21 LEU 13 -2.385 -8.844 18.160
111 HD22 LEU 13 HD22 LEU 13 -3.331 -9.525 16.814
112 HD23 LEU 13 HD23 LEU 13 -1.628 -9.106 16.568
113 H GLY 14 H GLY 14 -7.727 -7.288 16.025
114 HA2 GLY 14 HA2 GLY 14 -9.805 -6.720 16.850
115 HA3 GLY 14 HA3 GLY 14 -9.168 -6.780 18.512
116 HN1 NH2 15 HN1 NH2 15 -7.098 -4.892 16.566
117 HN2 NH2 15 HN2 NH2 15 -7.734 -3.317 16.986
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 3.061 3.502 -0.638
2 H2 GLY 1 H2 GLY 1 1.783 4.358 -1.225
3 H3 GLY 1 H3 GLY 1 1.744 2.707 -1.218
4 HA2 GLY 1 HA2 GLY 1 1.820 4.432 1.161
5 HA3 GLY 1 HA3 GLY 1 0.381 3.591 0.545
6 H LEU 2 H LEU 2 1.015 3.062 3.096
7 HA LEU 2 HA LEU 2 1.790 0.227 2.988
8 HB2 LEU 2 HB2 LEU 2 3.936 1.380 3.294
9 HB3 LEU 2 HB3 LEU 2 3.261 2.299 4.654
10 HG LEU 2 HG LEU 2 2.989 0.225 5.960
11 HD11 LEU 2 HD11 LEU 2 2.686 -1.396 4.111
12 HD12 LEU 2 HD12 LEU 2 4.352 -1.092 3.569
13 HD13 LEU 2 HD13 LEU 2 4.045 -1.869 5.143
14 HD21 LEU 2 HD21 LEU 2 5.067 1.540 6.112
15 HD22 LEU 2 HD22 LEU 2 5.377 -0.195 6.331
16 HD23 LEU 2 HD23 LEU 2 5.771 0.584 4.780
17 H PHE 3 H PHE 3 0.401 3.019 4.699
18 HA PHE 3 HA PHE 3 -0.193 1.707 7.092
19 HB2 PHE 3 HB2 PHE 3 -1.299 4.134 5.771
20 HB3 PHE 3 HB3 PHE 3 -2.100 3.469 7.192
21 HD1 PHE 3 HD1 PHE 3 0.906 5.195 5.987
22 HD2 PHE 3 HD2 PHE 3 -0.978 3.278 9.337
23 HE1 PHE 3 HE1 PHE 3 2.543 6.269 7.523
24 HE2 PHE 3 HE2 PHE 3 0.658 4.345 10.874
25 HZ PHE 3 HZ PHE 3 2.415 5.849 9.962
26 H ASP 4 H ASP 4 -1.931 1.375 4.072
27 HA ASP 4 HA ASP 4 -4.287 0.343 5.315
28 HB2 ASP 4 HB2 ASP 4 -3.163 -0.020 2.523
29 HB3 ASP 4 HB3 ASP 4 -4.728 -0.665 3.038
30 H ILE 5 H ILE 5 -1.179 -1.095 4.566
31 HA ILE 5 HA ILE 5 -2.090 -3.835 4.992
32 HB ILE 5 HB ILE 5 0.649 -2.538 4.745
33 HG12 ILE 5 HG12 ILE 5 -0.975 -4.268 2.829
34 HG13 ILE 5 HG13 ILE 5 -0.804 -2.511 2.712
35 HG21 ILE 5 HG21 ILE 5 1.540 -4.826 4.534
36 HG22 ILE 5 HG22 ILE 5 0.783 -4.592 6.115
37 HG23 ILE 5 HG23 ILE 5 -0.077 -5.500 4.852
38 HD11 ILE 5 HD11 ILE 5 1.665 -2.786 2.482
39 HD12 ILE 5 HD12 ILE 5 1.436 -4.552 2.441
40 HD13 ILE 5 HD13 ILE 5 0.738 -3.540 1.165
41 H VAL 6 H VAL 6 -0.420 -1.263 6.860
42 HA VAL 6 HA VAL 6 0.162 -2.912 9.129
43 HB VAL 6 HB VAL 6 -0.223 0.098 8.883
44 HG11 VAL 6 HG11 VAL 6 1.066 -1.566 11.083
45 HG12 VAL 6 HG12 VAL 6 1.131 0.207 10.966
46 HG13 VAL 6 HG13 VAL 6 -0.423 -0.608 11.231
47 HG21 VAL 6 HG21 VAL 6 2.298 -1.615 8.881
48 HG22 VAL 6 HG22 VAL 6 1.594 -0.814 7.456
49 HG23 VAL 6 HG23 VAL 6 2.232 0.163 8.793
50 H LYS 7 H LYS 7 -2.630 -0.826 8.261
51 HA LYS 7 HA LYS 7 -3.975 -1.156 10.770
52 HB2 LYS 7 HB2 LYS 7 -4.900 -0.326 7.999
53 HB3 LYS 7 HB3 LYS 7 -5.975 -0.364 9.414
54 HG2 LYS 7 HG2 LYS 7 -4.589 1.226 10.610
55 HG3 LYS 7 HG3 LYS 7 -3.336 1.160 9.362
56 HD2 LYS 7 HD2 LYS 7 -4.655 3.198 9.115
57 HD3 LYS 7 HD3 LYS 7 -4.902 2.128 7.721
58 HE2 LYS 7 HE2 LYS 7 -7.023 1.321 8.708
59 HE3 LYS 7 HE3 LYS 7 -6.770 2.359 10.117
60 HZ1 LYS 7 HZ1 LYS 7 -7.110 3.294 7.345
61 HZ2 LYS 7 HZ2 LYS 7 -8.240 3.378 8.535
62 HZ3 LYS 7 HZ3 LYS 7 -6.859 4.259 8.651
63 H LYS 8 H LYS 8 -3.775 -3.166 7.877
64 HA LYS 8 HA LYS 8 -6.073 -4.810 8.528
65 HB2 LYS 8 HB2 LYS 8 -5.211 -4.589 6.254
66 HB3 LYS 8 HB3 LYS 8 -3.656 -5.295 6.738
67 HG2 LYS 8 HG2 LYS 8 -4.769 -7.411 7.339
68 HG3 LYS 8 HG3 LYS 8 -6.345 -6.729 6.894
69 HD2 LYS 8 HD2 LYS 8 -3.964 -7.135 5.028
70 HD3 LYS 8 HD3 LYS 8 -5.410 -8.166 5.112
71 HE2 LYS 8 HE2 LYS 8 -6.823 -6.220 4.487
72 HE3 LYS 8 HE3 LYS 8 -5.368 -5.219 4.359
73 HZ1 LYS 8 HZ1 LYS 8 -6.059 -6.064 2.228
74 HZ2 LYS 8 HZ2 LYS 8 -4.591 -6.684 2.619
75 HZ3 LYS 8 HZ3 LYS 8 -5.936 -7.617 2.739
76 H VAL 9 H VAL 9 -2.621 -4.844 9.377
77 HA VAL 9 HA VAL 9 -2.711 -7.513 10.547
78 HB VAL 9 HB VAL 9 -0.739 -5.186 10.682
79 HG11 VAL 9 HG11 VAL 9 -0.473 -7.992 11.842
80 HG12 VAL 9 HG12 VAL 9 0.845 -6.807 11.703
81 HG13 VAL 9 HG13 VAL 9 -0.536 -6.477 12.767
82 HG21 VAL 9 HG21 VAL 9 -0.926 -6.371 8.505
83 HG22 VAL 9 HG22 VAL 9 0.641 -6.688 9.284
84 HG23 VAL 9 HG23 VAL 9 -0.635 -7.919 9.329
85 H VAL 10 H VAL 10 -3.013 -4.115 11.721
86 HA VAL 10 HA VAL 10 -3.172 -4.845 14.507
87 HB VAL 10 HB VAL 10 -4.038 -2.398 12.909
88 HG11 VAL 10 HG11 VAL 10 -3.954 -2.796 15.930
89 HG12 VAL 10 HG12 VAL 10 -4.172 -1.237 15.108
90 HG13 VAL 10 HG13 VAL 10 -5.407 -2.504 14.943
91 HG21 VAL 10 HG21 VAL 10 -2.047 -1.381 13.953
92 HG22 VAL 10 HG22 VAL 10 -1.708 -2.899 14.813
93 HG23 VAL 10 HG23 VAL 10 -1.586 -2.825 13.038
94 H GLY 11 H GLY 11 -5.485 -4.700 11.816
95 HA2 GLY 11 HA2 GLY 11 -7.888 -4.694 13.340
96 HA3 GLY 11 HA3 GLY 11 -7.684 -5.301 11.677
97 H ALA 12 H ALA 12 -5.598 -7.290 12.499
98 HA ALA 12 HA ALA 12 -7.349 -9.470 13.180
99 HB1 ALA 12 HB1 ALA 12 -4.308 -9.283 13.147
100 HB2 ALA 12 HB2 ALA 12 -5.262 -10.782 13.160
101 HB3 ALA 12 HB3 ALA 12 -5.337 -9.694 11.756
102 H LEU 13 H LEU 13 -5.308 -7.253 15.022
103 HA LEU 13 HA LEU 13 -5.389 -8.861 17.456
104 HB2 LEU 13 HB2 LEU 13 -4.565 -5.961 17.067
105 HB3 LEU 13 HB3 LEU 13 -4.183 -6.992 18.448
106 HG LEU 13 HG LEU 13 -3.207 -7.423 15.586
107 HD11 LEU 13 HD11 LEU 13 -1.756 -6.483 18.096
108 HD12 LEU 13 HD12 LEU 13 -1.013 -6.773 16.507
109 HD13 LEU 13 HD13 LEU 13 -2.194 -5.462 16.710
110 HD21 LEU 13 HD21 LEU 13 -3.437 -9.557 16.801
111 HD22 LEU 13 HD22 LEU 13 -1.729 -9.124 16.610
112 HD23 LEU 13 HD23 LEU 13 -2.537 -8.880 18.179
113 H GLY 14 H GLY 14 -7.803 -7.312 15.890
114 HA2 GLY 14 HA2 GLY 14 -9.912 -6.737 16.649
115 HA3 GLY 14 HA3 GLY 14 -9.347 -6.870 18.327
116 HN1 NH2 15 HN1 NH2 15 -7.190 -4.938 16.500
117 HN2 NH2 15 HN2 NH2 15 -7.805 -3.370 16.973
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 0.541 2.749 -0.795
2 H2 GLY 1 H2 GLY 1 -0.310 4.158 -0.793
3 H3 GLY 1 H3 GLY 1 -1.021 2.762 -0.281
4 HA2 GLY 1 HA2 GLY 1 1.205 4.144 1.041
5 HA3 GLY 1 HA3 GLY 1 -0.484 4.139 1.586
6 H LEU 2 H LEU 2 1.956 3.162 2.976
7 HA LEU 2 HA LEU 2 1.774 0.237 2.945
8 HB2 LEU 2 HB2 LEU 2 3.937 1.388 3.257
9 HB3 LEU 2 HB3 LEU 2 3.286 2.245 4.663
10 HG LEU 2 HG LEU 2 3.049 0.134 5.902
11 HD11 LEU 2 HD11 LEU 2 2.668 -1.419 4.020
12 HD12 LEU 2 HD12 LEU 2 4.323 -1.121 3.434
13 HD13 LEU 2 HD13 LEU 2 4.062 -1.942 4.990
14 HD21 LEU 2 HD21 LEU 2 5.798 0.499 4.645
15 HD22 LEU 2 HD22 LEU 2 5.148 1.420 6.024
16 HD23 LEU 2 HD23 LEU 2 5.453 -0.322 6.185
17 H PHE 3 H PHE 3 0.450 2.958 4.692
18 HA PHE 3 HA PHE 3 -0.190 1.710 7.105
19 HB2 PHE 3 HB2 PHE 3 -1.216 4.108 5.664
20 HB3 PHE 3 HB3 PHE 3 -2.074 3.512 7.083
21 HD1 PHE 3 HD1 PHE 3 -0.922 3.272 9.260
22 HD2 PHE 3 HD2 PHE 3 0.896 5.261 5.915
23 HE1 PHE 3 HE1 PHE 3 0.694 4.376 10.800
24 HE2 PHE 3 HE2 PHE 3 2.509 6.370 7.451
25 HZ PHE 3 HZ PHE 3 2.408 5.927 9.887
26 H ASP 4 H ASP 4 -1.894 1.342 4.060
27 HA ASP 4 HA ASP 4 -4.285 0.356 5.295
28 HB2 ASP 4 HB2 ASP 4 -3.139 -0.070 2.515
29 HB3 ASP 4 HB3 ASP 4 -4.740 -0.617 3.021
30 H ILE 5 H ILE 5 -1.187 -1.106 4.538
31 HA ILE 5 HA ILE 5 -2.127 -3.840 4.953
32 HB ILE 5 HB ILE 5 0.627 -2.576 4.706
33 HG12 ILE 5 HG12 ILE 5 -1.010 -4.254 2.761
34 HG13 ILE 5 HG13 ILE 5 -0.824 -2.491 2.689
35 HG21 ILE 5 HG21 ILE 5 1.484 -4.883 4.456
36 HG22 ILE 5 HG22 ILE 5 0.741 -4.650 6.046
37 HG23 ILE 5 HG23 ILE 5 -0.142 -5.525 4.772
38 HD11 ILE 5 HD11 ILE 5 1.631 -2.762 2.420
39 HD12 ILE 5 HD12 ILE 5 1.410 -4.532 2.396
40 HD13 ILE 5 HD13 ILE 5 0.701 -3.534 1.116
41 H VAL 6 H VAL 6 -0.442 -1.285 6.826
42 HA VAL 6 HA VAL 6 0.137 -2.957 9.088
43 HB VAL 6 HB VAL 6 -0.192 0.055 8.826
44 HG11 VAL 6 HG11 VAL 6 -0.410 -0.636 11.184
45 HG12 VAL 6 HG12 VAL 6 1.080 -1.606 11.049
46 HG13 VAL 6 HG13 VAL 6 1.149 0.164 10.914
47 HG21 VAL 6 HG21 VAL 6 2.284 -1.726 8.845
48 HG22 VAL 6 HG22 VAL 6 1.613 -0.912 7.420
49 HG23 VAL 6 HG23 VAL 6 2.280 0.051 8.756
50 H LYS 7 H LYS 7 -2.631 -0.804 8.260
51 HA LYS 7 HA LYS 7 -3.946 -1.152 10.785
52 HB2 LYS 7 HB2 LYS 7 -4.917 -0.304 8.034
53 HB3 LYS 7 HB3 LYS 7 -5.955 -0.333 9.476
54 HG2 LYS 7 HG2 LYS 7 -4.519 1.249 10.632
55 HG3 LYS 7 HG3 LYS 7 -3.313 1.188 9.342
56 HD2 LYS 7 HD2 LYS 7 -4.651 3.224 9.131
57 HD3 LYS 7 HD3 LYS 7 -4.930 2.158 7.748
58 HE2 LYS 7 HE2 LYS 7 -7.048 3.096 8.511
59 HE3 LYS 7 HE3 LYS 7 -7.027 1.349 8.766
60 HZ1 LYS 7 HZ1 LYS 7 -6.488 1.766 11.078
61 HZ2 LYS 7 HZ2 LYS 7 -6.510 3.394 10.826
62 HZ3 LYS 7 HZ3 LYS 7 -7.889 2.517 10.663
63 H LYS 8 H LYS 8 -3.773 -3.158 7.894
64 HA LYS 8 HA LYS 8 -6.082 -4.770 8.576
65 HB2 LYS 8 HB2 LYS 8 -5.245 -4.582 6.282
66 HB3 LYS 8 HB3 LYS 8 -3.698 -5.301 6.761
67 HG2 LYS 8 HG2 LYS 8 -4.796 -7.405 7.340
68 HG3 LYS 8 HG3 LYS 8 -6.394 -6.691 7.030
69 HD2 LYS 8 HD2 LYS 8 -5.705 -8.072 5.142
70 HD3 LYS 8 HD3 LYS 8 -5.786 -6.369 4.644
71 HE2 LYS 8 HE2 LYS 8 -3.339 -6.170 4.899
72 HE3 LYS 8 HE3 LYS 8 -3.247 -7.857 5.436
73 HZ1 LYS 8 HZ1 LYS 8 -2.728 -7.647 3.115
74 HZ2 LYS 8 HZ2 LYS 8 -4.110 -8.518 3.301
75 HZ3 LYS 8 HZ3 LYS 8 -4.182 -6.956 2.794
76 H VAL 9 H VAL 9 -2.619 -4.825 9.398
77 HA VAL 9 HA VAL 9 -2.712 -7.480 10.587
78 HB VAL 9 HB VAL 9 -0.753 -5.150 10.737
79 HG11 VAL 9 HG11 VAL 9 0.835 -6.758 11.750
80 HG12 VAL 9 HG12 VAL 9 -0.552 -6.453 12.807
81 HG13 VAL 9 HG13 VAL 9 -0.472 -7.963 11.872
82 HG21 VAL 9 HG21 VAL 9 -0.639 -7.873 9.360
83 HG22 VAL 9 HG22 VAL 9 -0.928 -6.320 8.548
84 HG23 VAL 9 HG23 VAL 9 0.638 -6.634 9.323
85 H VAL 10 H VAL 10 -3.014 -4.088 11.742
86 HA VAL 10 HA VAL 10 -3.199 -4.794 14.536
87 HB VAL 10 HB VAL 10 -4.090 -2.364 12.925
88 HG11 VAL 10 HG11 VAL 10 -3.959 -2.733 15.945
89 HG12 VAL 10 HG12 VAL 10 -4.222 -1.186 15.107
90 HG13 VAL 10 HG13 VAL 10 -5.431 -2.476 14.983
91 HG21 VAL 10 HG21 VAL 10 -1.634 -2.777 13.023
92 HG22 VAL 10 HG22 VAL 10 -2.098 -1.326 13.932
93 HG23 VAL 10 HG23 VAL 10 -1.736 -2.837 14.800
94 H GLY 11 H GLY 11 -5.498 -4.676 11.822
95 HA2 GLY 11 HA2 GLY 11 -7.901 -4.690 13.345
96 HA3 GLY 11 HA3 GLY 11 -7.694 -5.289 11.686
97 H ALA 12 H ALA 12 -5.592 -7.264 12.502
98 HA ALA 12 HA ALA 12 -7.332 -9.454 13.179
99 HB1 ALA 12 HB1 ALA 12 -4.291 -9.263 13.101
100 HB2 ALA 12 HB2 ALA 12 -5.242 -10.764 13.139
101 HB3 ALA 12 HB3 ALA 12 -5.348 -9.682 11.732
102 H LEU 13 H LEU 13 -5.293 -7.239 15.012
103 HA LEU 13 HA LEU 13 -5.346 -8.851 17.444
104 HB2 LEU 13 HB2 LEU 13 -4.561 -5.939 17.057
105 HB3 LEU 13 HB3 LEU 13 -4.176 -6.968 18.447
106 HG LEU 13 HG LEU 13 -3.179 -7.382 15.591
107 HD11 LEU 13 HD11 LEU 13 -1.761 -6.435 18.113
108 HD12 LEU 13 HD12 LEU 13 -0.998 -6.735 16.535
109 HD13 LEU 13 HD13 LEU 13 -2.186 -5.424 16.707
110 HD21 LEU 13 HD21 LEU 13 -3.382 -9.529 16.786
111 HD22 LEU 13 HD22 LEU 13 -1.675 -9.061 16.634
112 HD23 LEU 13 HD23 LEU 13 -2.513 -8.844 18.181
113 H GLY 14 H GLY 14 -7.782 -7.361 15.880
114 HA2 GLY 14 HA2 GLY 14 -9.904 -6.834 16.627
115 HA3 GLY 14 HA3 GLY 14 -9.341 -6.951 18.309
116 HN1 NH2 15 HN1 NH2 15 -7.242 -4.957 16.476
117 HN2 NH2 15 HN2 NH2 15 -7.910 -3.409 16.942
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 1.366 4.379 -1.223
2 H2 GLY 1 H2 GLY 1 1.039 2.769 -1.074
3 H3 GLY 1 H3 GLY 1 2.590 3.309 -0.958
4 HA2 GLY 1 HA2 GLY 1 2.091 4.516 1.048
5 HA3 GLY 1 HA3 GLY 1 0.422 3.930 0.921
6 H LEU 2 H LEU 2 1.017 3.138 3.157
7 HA LEU 2 HA LEU 2 1.792 0.315 2.970
8 HB2 LEU 2 HB2 LEU 2 3.956 1.450 3.302
9 HB3 LEU 2 HB3 LEU 2 3.281 2.335 4.686
10 HG LEU 2 HG LEU 2 3.004 0.221 5.934
11 HD11 LEU 2 HD11 LEU 2 4.332 -1.035 3.491
12 HD12 LEU 2 HD12 LEU 2 4.037 -1.854 5.039
13 HD13 LEU 2 HD13 LEU 2 2.662 -1.337 4.040
14 HD21 LEU 2 HD21 LEU 2 5.402 -0.259 6.248
15 HD22 LEU 2 HD22 LEU 2 5.774 0.589 4.728
16 HD23 LEU 2 HD23 LEU 2 5.108 1.490 6.112
17 H PHE 3 H PHE 3 0.435 3.064 4.775
18 HA PHE 3 HA PHE 3 -0.187 1.687 7.119
19 HB2 PHE 3 HB2 PHE 3 -1.277 4.165 5.872
20 HB3 PHE 3 HB3 PHE 3 -2.080 3.453 7.265
21 HD1 PHE 3 HD1 PHE 3 -0.983 3.182 9.401
22 HD2 PHE 3 HD2 PHE 3 0.944 5.211 6.145
23 HE1 PHE 3 HE1 PHE 3 0.648 4.176 10.993
24 HE2 PHE 3 HE2 PHE 3 2.572 6.221 7.740
25 HZ PHE 3 HZ PHE 3 2.422 5.699 10.153
26 H ASP 4 H ASP 4 -1.918 1.438 4.080
27 HA ASP 4 HA ASP 4 -4.273 0.390 5.298
28 HB2 ASP 4 HB2 ASP 4 -3.155 0.087 2.496
29 HB3 ASP 4 HB3 ASP 4 -4.719 -0.561 3.005
30 H ILE 5 H ILE 5 -1.176 -1.049 4.510
31 HA ILE 5 HA ILE 5 -2.106 -3.795 4.894
32 HB ILE 5 HB ILE 5 0.636 -2.503 4.649
33 HG12 ILE 5 HG12 ILE 5 -1.001 -4.193 2.711
34 HG13 ILE 5 HG13 ILE 5 -0.827 -2.435 2.637
35 HG21 ILE 5 HG21 ILE 5 1.509 -4.815 4.394
36 HG22 ILE 5 HG22 ILE 5 0.766 -4.596 5.983
37 HG23 ILE 5 HG23 ILE 5 -0.115 -5.468 4.709
38 HD11 ILE 5 HD11 ILE 5 1.411 -4.474 2.311
39 HD12 ILE 5 HD12 ILE 5 0.704 -3.449 1.051
40 HD13 ILE 5 HD13 ILE 5 1.645 -2.710 2.366
41 H VAL 6 H VAL 6 -0.426 -1.263 6.809
42 HA VAL 6 HA VAL 6 0.156 -2.986 9.032
43 HB VAL 6 HB VAL 6 -0.178 0.039 8.848
44 HG11 VAL 6 HG11 VAL 6 1.210 0.080 10.915
45 HG12 VAL 6 HG12 VAL 6 -0.349 -0.715 11.186
46 HG13 VAL 6 HG13 VAL 6 1.129 -1.693 10.995
47 HG21 VAL 6 HG21 VAL 6 1.593 -0.866 7.371
48 HG22 VAL 6 HG22 VAL 6 2.292 0.043 8.725
49 HG23 VAL 6 HG23 VAL 6 2.303 -1.735 8.750
50 H LYS 7 H LYS 7 -2.614 -0.836 8.239
51 HA LYS 7 HA LYS 7 -3.937 -1.197 10.755
52 HB2 LYS 7 HB2 LYS 7 -4.890 -0.348 8.005
53 HB3 LYS 7 HB3 LYS 7 -5.955 -0.391 9.430
54 HG2 LYS 7 HG2 LYS 7 -4.533 1.174 10.627
55 HG3 LYS 7 HG3 LYS 7 -3.321 1.142 9.344
56 HD2 LYS 7 HD2 LYS 7 -4.671 3.171 9.176
57 HD3 LYS 7 HD3 LYS 7 -4.931 2.135 7.760
58 HE2 LYS 7 HE2 LYS 7 -7.027 1.274 8.782
59 HE3 LYS 7 HE3 LYS 7 -6.746 2.290 10.206
60 HZ1 LYS 7 HZ1 LYS 7 -6.892 4.215 8.779
61 HZ2 LYS 7 HZ2 LYS 7 -7.155 3.271 7.462
62 HZ3 LYS 7 HZ3 LYS 7 -8.267 3.316 8.663
63 H LYS 8 H LYS 8 -3.769 -3.194 7.856
64 HA LYS 8 HA LYS 8 -6.082 -4.810 8.523
65 HB2 LYS 8 HB2 LYS 8 -5.211 -4.587 6.236
66 HB3 LYS 8 HB3 LYS 8 -3.685 -5.356 6.732
67 HG2 LYS 8 HG2 LYS 8 -4.866 -7.443 7.258
68 HG3 LYS 8 HG3 LYS 8 -6.427 -6.666 6.925
69 HD2 LYS 8 HD2 LYS 8 -5.750 -8.034 5.017
70 HD3 LYS 8 HD3 LYS 8 -5.741 -6.320 4.563
71 HE2 LYS 8 HE2 LYS 8 -3.282 -6.241 4.886
72 HE3 LYS 8 HE3 LYS 8 -3.293 -7.934 5.403
73 HZ1 LYS 8 HZ1 LYS 8 -2.694 -7.705 3.090
74 HZ2 LYS 8 HZ2 LYS 8 -4.111 -8.522 3.217
75 HZ3 LYS 8 HZ3 LYS 8 -4.114 -6.951 2.748
76 H VAL 9 H VAL 9 -2.627 -4.867 9.363
77 HA VAL 9 HA VAL 9 -2.725 -7.542 10.523
78 HB VAL 9 HB VAL 9 -0.745 -5.228 10.689
79 HG11 VAL 9 HG11 VAL 9 -0.528 -6.549 12.731
80 HG12 VAL 9 HG12 VAL 9 -0.510 -8.061 11.785
81 HG13 VAL 9 HG13 VAL 9 0.828 -6.904 11.653
82 HG21 VAL 9 HG21 VAL 9 -0.927 -6.331 8.477
83 HG22 VAL 9 HG22 VAL 9 0.627 -6.700 9.247
84 HG23 VAL 9 HG23 VAL 9 -0.675 -7.913 9.244
85 H VAL 10 H VAL 10 -2.994 -4.161 11.699
86 HA VAL 10 HA VAL 10 -3.140 -4.862 14.497
87 HB VAL 10 HB VAL 10 -4.033 -2.432 12.888
88 HG11 VAL 10 HG11 VAL 10 -3.892 -2.795 15.906
89 HG12 VAL 10 HG12 VAL 10 -4.129 -1.242 15.059
90 HG13 VAL 10 HG13 VAL 10 -5.362 -2.513 14.946
91 HG21 VAL 10 HG21 VAL 10 -1.575 -2.870 12.985
92 HG22 VAL 10 HG22 VAL 10 -2.021 -1.404 13.886
93 HG23 VAL 10 HG23 VAL 10 -1.665 -2.907 14.757
94 H GLY 11 H GLY 11 -5.475 -4.753 11.811
95 HA2 GLY 11 HA2 GLY 11 -7.865 -4.714 13.349
96 HA3 GLY 11 HA3 GLY 11 -7.674 -5.358 11.702
97 H ALA 12 H ALA 12 -5.588 -7.338 12.570
98 HA ALA 12 HA ALA 12 -7.360 -9.493 13.281
99 HB1 ALA 12 HB1 ALA 12 -4.322 -9.339 13.239
100 HB2 ALA 12 HB2 ALA 12 -5.303 -10.825 13.272
101 HB3 ALA 12 HB3 ALA 12 -5.362 -9.756 11.852
102 H LEU 13 H LEU 13 -5.363 -7.234 15.090
103 HA LEU 13 HA LEU 13 -5.415 -8.810 17.553
104 HB2 LEU 13 HB2 LEU 13 -4.605 -5.914 17.115
105 HB3 LEU 13 HB3 LEU 13 -4.214 -6.930 18.508
106 HG LEU 13 HG LEU 13 -3.254 -7.397 15.652
107 HD11 LEU 13 HD11 LEU 13 -1.060 -6.743 16.559
108 HD12 LEU 13 HD12 LEU 13 -2.247 -5.425 16.736
109 HD13 LEU 13 HD13 LEU 13 -1.799 -6.423 18.144
110 HD21 LEU 13 HD21 LEU 13 -3.460 -9.520 16.910
111 HD22 LEU 13 HD22 LEU 13 -1.754 -9.082 16.720
112 HD23 LEU 13 HD23 LEU 13 -2.575 -8.806 18.277
113 H GLY 14 H GLY 14 -7.833 -7.332 15.959
114 HA2 GLY 14 HA2 GLY 14 -9.961 -6.797 16.716
115 HA3 GLY 14 HA3 GLY 14 -9.368 -6.813 18.393
116 HN1 NH2 15 HN1 NH2 15 -7.269 -4.930 16.486
117 HN2 NH2 15 HN2 NH2 15 -7.943 -3.357 16.853
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 3.022 3.229 -0.840
2 H2 GLY 1 H2 GLY 1 1.763 4.167 -1.343
3 H3 GLY 1 H3 GLY 1 1.590 2.530 -1.245
4 HA2 GLY 1 HA2 GLY 1 2.020 4.335 1.029
5 HA3 GLY 1 HA3 GLY 1 0.478 3.580 0.581
6 H LEU 2 H LEU 2 1.048 2.999 3.027
7 HA LEU 2 HA LEU 2 1.823 0.166 2.971
8 HB2 LEU 2 HB2 LEU 2 3.972 1.310 3.278
9 HB3 LEU 2 HB3 LEU 2 3.294 2.255 4.616
10 HG LEU 2 HG LEU 2 3.002 0.211 5.961
11 HD11 LEU 2 HD11 LEU 2 4.037 -1.911 5.184
12 HD12 LEU 2 HD12 LEU 2 2.678 -1.440 4.147
13 HD13 LEU 2 HD13 LEU 2 4.351 -1.177 3.597
14 HD21 LEU 2 HD21 LEU 2 5.106 1.495 6.081
15 HD22 LEU 2 HD22 LEU 2 5.385 -0.237 6.348
16 HD23 LEU 2 HD23 LEU 2 5.795 0.500 4.777
17 H PHE 3 H PHE 3 0.437 2.991 4.633
18 HA PHE 3 HA PHE 3 -0.178 1.719 7.042
19 HB2 PHE 3 HB2 PHE 3 -1.248 4.144 5.687
20 HB3 PHE 3 HB3 PHE 3 -2.070 3.498 7.108
21 HD1 PHE 3 HD1 PHE 3 -0.985 3.331 9.265
22 HD2 PHE 3 HD2 PHE 3 0.962 5.192 5.922
23 HE1 PHE 3 HE1 PHE 3 0.651 4.389 10.815
24 HE2 PHE 3 HE2 PHE 3 2.593 6.257 7.459
25 HZ PHE 3 HZ PHE 3 2.438 5.859 9.906
26 H ASP 4 H ASP 4 -1.909 1.350 4.029
27 HA ASP 4 HA ASP 4 -4.282 0.366 5.282
28 HB2 ASP 4 HB2 ASP 4 -3.160 -0.063 2.496
29 HB3 ASP 4 HB3 ASP 4 -4.733 -0.665 3.029
30 H ILE 5 H ILE 5 -1.193 -1.110 4.552
31 HA ILE 5 HA ILE 5 -2.117 -3.840 5.022
32 HB ILE 5 HB ILE 5 0.632 -2.568 4.762
33 HG12 ILE 5 HG12 ILE 5 -1.016 -4.280 2.847
34 HG13 ILE 5 HG13 ILE 5 -0.801 -2.520 2.737
35 HG21 ILE 5 HG21 ILE 5 0.757 -4.622 6.139
36 HG22 ILE 5 HG22 ILE 5 -0.133 -5.511 4.882
37 HG23 ILE 5 HG23 ILE 5 1.502 -4.871 4.560
38 HD11 ILE 5 HD11 ILE 5 1.393 -4.614 2.472
39 HD12 ILE 5 HD12 ILE 5 0.715 -3.601 1.187
40 HD13 ILE 5 HD13 ILE 5 1.659 -2.856 2.496
41 H VAL 6 H VAL 6 -0.443 -1.243 6.856
42 HA VAL 6 HA VAL 6 0.153 -2.874 9.144
43 HB VAL 6 HB VAL 6 -0.228 0.134 8.855
44 HG11 VAL 6 HG11 VAL 6 -0.448 -0.529 11.213
45 HG12 VAL 6 HG12 VAL 6 1.033 -1.504 11.100
46 HG13 VAL 6 HG13 VAL 6 1.110 0.270 10.939
47 HG21 VAL 6 HG21 VAL 6 2.233 0.178 8.799
48 HG22 VAL 6 HG22 VAL 6 2.279 -1.598 8.889
49 HG23 VAL 6 HG23 VAL 6 1.593 -0.795 7.458
50 H LYS 7 H LYS 7 -2.651 -0.775 8.274
51 HA LYS 7 HA LYS 7 -3.980 -1.109 10.789
52 HB2 LYS 7 HB2 LYS 7 -4.934 -0.308 8.029
53 HB3 LYS 7 HB3 LYS 7 -5.983 -0.327 9.463
54 HG2 LYS 7 HG2 LYS 7 -4.573 1.273 10.620
55 HG3 LYS 7 HG3 LYS 7 -3.347 1.200 9.348
56 HD2 LYS 7 HD2 LYS 7 -4.686 3.236 9.125
57 HD3 LYS 7 HD3 LYS 7 -4.938 2.174 7.730
58 HE2 LYS 7 HE2 LYS 7 -7.039 1.346 8.739
59 HE3 LYS 7 HE3 LYS 7 -6.778 2.387 10.150
60 HZ1 LYS 7 HZ1 LYS 7 -6.907 4.285 8.691
61 HZ2 LYS 7 HZ2 LYS 7 -7.153 3.321 7.385
62 HZ3 LYS 7 HZ3 LYS 7 -8.275 3.381 8.581
63 H LYS 8 H LYS 8 -3.773 -3.135 7.901
64 HA LYS 8 HA LYS 8 -6.077 -4.758 8.553
65 HB2 LYS 8 HB2 LYS 8 -5.211 -4.546 6.272
66 HB3 LYS 8 HB3 LYS 8 -3.662 -5.248 6.770
67 HG2 LYS 8 HG2 LYS 8 -4.774 -7.368 7.353
68 HG3 LYS 8 HG3 LYS 8 -6.353 -6.675 6.920
69 HD2 LYS 8 HD2 LYS 8 -3.999 -7.059 5.022
70 HD3 LYS 8 HD3 LYS 8 -5.432 -8.107 5.124
71 HE2 LYS 8 HE2 LYS 8 -6.875 -6.174 4.525
72 HE3 LYS 8 HE3 LYS 8 -5.433 -5.155 4.376
73 HZ1 LYS 8 HZ1 LYS 8 -5.998 -7.560 2.779
74 HZ2 LYS 8 HZ2 LYS 8 -6.144 -6.010 2.261
75 HZ3 LYS 8 HZ3 LYS 8 -4.660 -6.619 2.636
76 H VAL 9 H VAL 9 -2.616 -4.811 9.384
77 HA VAL 9 HA VAL 9 -2.692 -7.481 10.544
78 HB VAL 9 HB VAL 9 -0.747 -5.142 10.688
79 HG11 VAL 9 HG11 VAL 9 -0.468 -7.947 11.850
80 HG12 VAL 9 HG12 VAL 9 0.848 -6.762 11.712
81 HG13 VAL 9 HG13 VAL 9 -0.533 -6.428 12.774
82 HG21 VAL 9 HG21 VAL 9 -0.624 -7.870 9.327
83 HG22 VAL 9 HG22 VAL 9 -0.908 -6.314 8.510
84 HG23 VAL 9 HG23 VAL 9 0.651 -6.628 9.295
85 H VAL 10 H VAL 10 -3.019 -4.105 11.719
86 HA VAL 10 HA VAL 10 -3.177 -4.826 14.517
87 HB VAL 10 HB VAL 10 -4.041 -2.376 12.921
88 HG11 VAL 10 HG11 VAL 10 -3.967 -2.779 15.936
89 HG12 VAL 10 HG12 VAL 10 -4.182 -1.218 15.112
90 HG13 VAL 10 HG13 VAL 10 -5.417 -2.470 14.948
91 HG21 VAL 10 HG21 VAL 10 -1.592 -2.833 13.047
92 HG22 VAL 10 HG22 VAL 10 -2.035 -1.378 13.958
93 HG23 VAL 10 HG23 VAL 10 -1.714 -2.896 14.822
94 H GLY 11 H GLY 11 -5.481 -4.708 11.815
95 HA2 GLY 11 HA2 GLY 11 -7.883 -4.692 13.337
96 HA3 GLY 11 HA3 GLY 11 -7.680 -5.303 11.677
97 H ALA 12 H ALA 12 -5.578 -7.273 12.540
98 HA ALA 12 HA ALA 12 -7.341 -9.468 13.185
99 HB1 ALA 12 HB1 ALA 12 -4.299 -9.282 13.144
100 HB2 ALA 12 HB2 ALA 12 -5.261 -10.779 13.150
101 HB3 ALA 12 HB3 ALA 12 -5.334 -9.687 11.751
102 H LEU 13 H LEU 13 -5.321 -7.259 15.036
103 HA LEU 13 HA LEU 13 -5.363 -8.882 17.463
104 HB2 LEU 13 HB2 LEU 13 -4.595 -5.967 17.065
105 HB3 LEU 13 HB3 LEU 13 -4.200 -6.988 18.456
106 HG LEU 13 HG LEU 13 -3.214 -7.419 15.595
107 HD11 LEU 13 HD11 LEU 13 -1.797 -6.414 18.096
108 HD12 LEU 13 HD12 LEU 13 -1.039 -6.716 16.520
109 HD13 LEU 13 HD13 LEU 13 -2.246 -5.424 16.687
110 HD21 LEU 13 HD21 LEU 13 -3.385 -9.543 16.837
111 HD22 LEU 13 HD22 LEU 13 -1.683 -9.062 16.654
112 HD23 LEU 13 HD23 LEU 13 -2.510 -8.816 18.210
113 H GLY 14 H GLY 14 -7.809 -7.368 15.903
114 HA2 GLY 14 HA2 GLY 14 -9.933 -6.848 16.667
115 HA3 GLY 14 HA3 GLY 14 -9.356 -6.963 18.345
116 HN1 NH2 15 HN1 NH2 15 -7.236 -4.997 16.534
117 HN2 NH2 15 HN2 NH2 15 -7.898 -3.437 16.979
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -0.091 3.882 -1.022
2 H2 GLY 1 H2 GLY 1 -0.856 2.529 -0.476
3 H3 GLY 1 H3 GLY 1 0.711 2.442 -0.980
4 HA2 GLY 1 HA2 GLY 1 1.440 3.826 0.825
5 HA3 GLY 1 HA3 GLY 1 -0.248 3.940 1.357
6 H LEU 2 H LEU 2 2.118 2.857 2.774
7 HA LEU 2 HA LEU 2 1.754 -0.054 2.838
8 HB2 LEU 2 HB2 LEU 2 3.988 0.949 3.070
9 HB3 LEU 2 HB3 LEU 2 3.426 1.913 4.446
10 HG LEU 2 HG LEU 2 3.074 -0.127 5.782
11 HD11 LEU 2 HD11 LEU 2 3.932 -2.292 4.935
12 HD12 LEU 2 HD12 LEU 2 2.566 -1.715 3.959
13 HD13 LEU 2 HD13 LEU 2 4.231 -1.554 3.346
14 HD21 LEU 2 HD21 LEU 2 5.258 1.031 5.829
15 HD22 LEU 2 HD22 LEU 2 5.454 -0.724 6.031
16 HD23 LEU 2 HD23 LEU 2 5.819 0.041 4.466
17 H PHE 3 H PHE 3 0.631 2.811 4.491
18 HA PHE 3 HA PHE 3 -0.019 1.693 6.963
19 HB2 PHE 3 HB2 PHE 3 -0.917 4.119 5.495
20 HB3 PHE 3 HB3 PHE 3 -1.770 3.624 6.952
21 HD1 PHE 3 HD1 PHE 3 1.289 5.126 5.664
22 HD2 PHE 3 HD2 PHE 3 -0.564 3.316 9.090
23 HE1 PHE 3 HE1 PHE 3 3.037 6.114 7.127
24 HE2 PHE 3 HE2 PHE 3 1.184 4.311 10.565
25 HZ PHE 3 HZ PHE 3 2.981 5.714 9.578
26 H ASP 4 H ASP 4 -1.834 1.338 3.982
27 HA ASP 4 HA ASP 4 -4.235 0.536 5.302
28 HB2 ASP 4 HB2 ASP 4 -3.170 -0.061 2.523
29 HB3 ASP 4 HB3 ASP 4 -4.777 -0.537 3.080
30 H ILE 5 H ILE 5 -1.249 -1.139 4.548
31 HA ILE 5 HA ILE 5 -2.322 -3.780 5.164
32 HB ILE 5 HB ILE 5 0.487 -2.686 4.758
33 HG12 ILE 5 HG12 ILE 5 -1.263 -4.474 3.013
34 HG13 ILE 5 HG13 ILE 5 -1.072 -2.726 2.793
35 HG21 ILE 5 HG21 ILE 5 -0.405 -5.577 5.124
36 HG22 ILE 5 HG22 ILE 5 1.235 -5.044 4.676
37 HG23 ILE 5 HG23 ILE 5 0.582 -4.631 6.264
38 HD11 ILE 5 HD11 ILE 5 0.395 -3.889 1.251
39 HD12 ILE 5 HD12 ILE 5 1.371 -3.035 2.466
40 HD13 ILE 5 HD13 ILE 5 1.145 -4.797 2.573
41 H VAL 6 H VAL 6 -0.533 -1.184 6.860
42 HA VAL 6 HA VAL 6 0.069 -2.716 9.200
43 HB VAL 6 HB VAL 6 -0.345 0.280 8.838
44 HG11 VAL 6 HG11 VAL 6 1.010 0.486 10.905
45 HG12 VAL 6 HG12 VAL 6 -0.537 -0.339 11.202
46 HG13 VAL 6 HG13 VAL 6 0.968 -1.282 11.095
47 HG21 VAL 6 HG21 VAL 6 2.124 0.338 8.745
48 HG22 VAL 6 HG22 VAL 6 2.183 -1.433 8.880
49 HG23 VAL 6 HG23 VAL 6 1.474 -0.677 7.440
50 H LYS 7 H LYS 7 -2.773 -0.687 8.296
51 HA LYS 7 HA LYS 7 -4.097 -1.046 10.820
52 HB2 LYS 7 HB2 LYS 7 -5.144 -0.370 8.046
53 HB3 LYS 7 HB3 LYS 7 -6.135 -0.331 9.502
54 HG2 LYS 7 HG2 LYS 7 -3.632 1.346 9.034
55 HG3 LYS 7 HG3 LYS 7 -5.297 1.915 8.877
56 HD2 LYS 7 HD2 LYS 7 -3.973 0.932 11.446
57 HD3 LYS 7 HD3 LYS 7 -4.325 2.607 11.019
58 HE2 LYS 7 HE2 LYS 7 -6.753 2.066 10.911
59 HE3 LYS 7 HE3 LYS 7 -6.389 0.404 11.404
60 HZ1 LYS 7 HZ1 LYS 7 -5.806 2.824 12.983
61 HZ2 LYS 7 HZ2 LYS 7 -7.034 1.774 13.265
62 HZ3 LYS 7 HZ3 LYS 7 -5.476 1.283 13.448
63 H LYS 8 H LYS 8 -3.830 -3.070 7.944
64 HA LYS 8 HA LYS 8 -6.071 -4.775 8.647
65 HB2 LYS 8 HB2 LYS 8 -5.280 -4.527 6.341
66 HB3 LYS 8 HB3 LYS 8 -3.697 -5.188 6.782
67 HG2 LYS 8 HG2 LYS 8 -4.727 -7.335 7.401
68 HG3 LYS 8 HG3 LYS 8 -6.334 -6.691 7.001
69 HD2 LYS 8 HD2 LYS 8 -4.009 -6.998 5.051
70 HD3 LYS 8 HD3 LYS 8 -5.398 -8.094 5.178
71 HE2 LYS 8 HE2 LYS 8 -6.922 -6.222 4.621
72 HE3 LYS 8 HE3 LYS 8 -5.528 -5.139 4.457
73 HZ1 LYS 8 HZ1 LYS 8 -6.021 -7.547 2.836
74 HZ2 LYS 8 HZ2 LYS 8 -6.249 -5.995 2.349
75 HZ3 LYS 8 HZ3 LYS 8 -4.732 -6.536 2.675
76 H VAL 9 H VAL 9 -2.594 -4.709 9.413
77 HA VAL 9 HA VAL 9 -2.548 -7.377 10.566
78 HB VAL 9 HB VAL 9 -0.729 -4.945 10.722
79 HG11 VAL 9 HG11 VAL 9 -0.299 -7.716 11.915
80 HG12 VAL 9 HG12 VAL 9 0.946 -6.456 11.762
81 HG13 VAL 9 HG13 VAL 9 -0.449 -6.192 12.818
82 HG21 VAL 9 HG21 VAL 9 -0.837 -6.161 8.557
83 HG22 VAL 9 HG22 VAL 9 0.752 -6.349 9.339
84 HG23 VAL 9 HG23 VAL 9 -0.431 -7.676 9.397
85 H VAL 10 H VAL 10 -3.063 -4.019 11.777
86 HA VAL 10 HA VAL 10 -3.191 -4.811 14.558
87 HB VAL 10 HB VAL 10 -4.117 -2.360 13.006
88 HG11 VAL 10 HG11 VAL 10 -4.074 -2.820 16.022
89 HG12 VAL 10 HG12 VAL 10 -4.320 -1.251 15.236
90 HG13 VAL 10 HG13 VAL 10 -5.517 -2.536 15.020
91 HG21 VAL 10 HG21 VAL 10 -1.662 -2.714 13.152
92 HG22 VAL 10 HG22 VAL 10 -2.175 -1.297 14.095
93 HG23 VAL 10 HG23 VAL 10 -1.787 -2.827 14.919
94 H GLY 11 H GLY 11 -5.484 -4.687 11.845
95 HA2 GLY 11 HA2 GLY 11 -7.900 -4.779 13.340
96 HA3 GLY 11 HA3 GLY 11 -7.661 -5.354 11.677
97 H ALA 12 H ALA 12 -5.535 -7.299 12.494
98 HA ALA 12 HA ALA 12 -7.221 -9.535 13.127
99 HB1 ALA 12 HB1 ALA 12 -4.186 -9.252 13.156
100 HB2 ALA 12 HB2 ALA 12 -5.095 -10.780 13.128
101 HB3 ALA 12 HB3 ALA 12 -5.180 -9.676 11.736
102 H LEU 13 H LEU 13 -5.303 -7.272 15.031
103 HA LEU 13 HA LEU 13 -5.375 -8.923 17.439
104 HB2 LEU 13 HB2 LEU 13 -4.619 -5.994 17.118
105 HB3 LEU 13 HB3 LEU 13 -4.240 -7.052 18.486
106 HG LEU 13 HG LEU 13 -3.205 -7.383 15.631
107 HD11 LEU 13 HD11 LEU 13 -1.823 -6.500 18.195
108 HD12 LEU 13 HD12 LEU 13 -1.047 -6.742 16.611
109 HD13 LEU 13 HD13 LEU 13 -2.249 -5.451 16.817
110 HD21 LEU 13 HD21 LEU 13 -3.411 -9.565 16.783
111 HD22 LEU 13 HD22 LEU 13 -1.709 -9.088 16.645
112 HD23 LEU 13 HD23 LEU 13 -2.555 -8.906 18.199
113 H GLY 14 H GLY 14 -7.798 -7.421 15.841
114 HA2 GLY 14 HA2 GLY 14 -9.939 -6.944 16.560
115 HA3 GLY 14 HA3 GLY 14 -9.405 -7.060 18.251
116 HN1 NH2 15 HN1 NH2 15 -7.270 -5.046 16.517
117 HN2 NH2 15 HN2 NH2 15 -7.973 -3.502 16.948
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 2.761 2.940 -1.164
2 H2 GLY 1 H2 GLY 1 1.552 4.026 -1.459
3 H3 GLY 1 H3 GLY 1 1.201 2.427 -1.287
4 HA2 GLY 1 HA2 GLY 1 2.277 4.182 0.813
5 HA3 GLY 1 HA3 GLY 1 0.590 3.642 0.685
6 H LEU 2 H LEU 2 1.145 2.871 2.940
7 HA LEU 2 HA LEU 2 1.778 0.008 2.808
8 HB2 LEU 2 HB2 LEU 2 4.002 1.031 3.074
9 HB3 LEU 2 HB3 LEU 2 3.403 1.977 4.449
10 HG LEU 2 HG LEU 2 3.034 -0.096 5.744
11 HD11 LEU 2 HD11 LEU 2 2.603 -1.668 3.888
12 HD12 LEU 2 HD12 LEU 2 4.283 -1.460 3.314
13 HD13 LEU 2 HD13 LEU 2 3.956 -2.234 4.880
14 HD21 LEU 2 HD21 LEU 2 5.404 -0.660 6.067
15 HD22 LEU 2 HD22 LEU 2 5.811 0.115 4.521
16 HD23 LEU 2 HD23 LEU 2 5.188 1.092 5.879
17 H PHE 3 H PHE 3 0.641 2.874 4.600
18 HA PHE 3 HA PHE 3 -0.003 1.557 6.966
19 HB2 PHE 3 HB2 PHE 3 -0.931 4.093 5.741
20 HB3 PHE 3 HB3 PHE 3 -1.782 3.445 7.143
21 HD1 PHE 3 HD1 PHE 3 1.335 5.003 6.005
22 HD2 PHE 3 HD2 PHE 3 -0.665 3.061 9.274
23 HE1 PHE 3 HE1 PHE 3 3.065 5.848 7.562
24 HE2 PHE 3 HE2 PHE 3 1.055 3.929 10.841
25 HZ PHE 3 HZ PHE 3 2.929 5.313 9.981
26 H ASP 4 H ASP 4 -1.860 1.369 3.988
27 HA ASP 4 HA ASP 4 -4.248 0.505 5.279
28 HB2 ASP 4 HB2 ASP 4 -3.161 -0.087 2.504
29 HB3 ASP 4 HB3 ASP 4 -4.773 -0.544 3.058
30 H ILE 5 H ILE 5 -1.246 -1.145 4.542
31 HA ILE 5 HA ILE 5 -2.291 -3.807 5.149
32 HB ILE 5 HB ILE 5 0.494 -2.672 4.731
33 HG12 ILE 5 HG12 ILE 5 -1.263 -4.471 2.997
34 HG13 ILE 5 HG13 ILE 5 -1.064 -2.729 2.761
35 HG21 ILE 5 HG21 ILE 5 -0.366 -5.577 5.076
36 HG22 ILE 5 HG22 ILE 5 1.264 -5.011 4.653
37 HG23 ILE 5 HG23 ILE 5 0.590 -4.626 6.241
38 HD11 ILE 5 HD11 ILE 5 1.133 -4.824 2.559
39 HD12 ILE 5 HD12 ILE 5 0.391 -3.917 1.226
40 HD13 ILE 5 HD13 ILE 5 1.378 -3.061 2.425
41 H VAL 6 H VAL 6 -0.506 -1.193 6.836
42 HA VAL 6 HA VAL 6 0.130 -2.719 9.163
43 HB VAL 6 HB VAL 6 -0.341 0.274 8.845
44 HG11 VAL 6 HG11 VAL 6 -0.410 -0.423 11.216
45 HG12 VAL 6 HG12 VAL 6 1.123 -1.302 11.004
46 HG13 VAL 6 HG13 VAL 6 1.081 0.470 10.864
47 HG21 VAL 6 HG21 VAL 6 1.439 -0.610 7.355
48 HG22 VAL 6 HG22 VAL 6 2.118 0.384 8.665
49 HG23 VAL 6 HG23 VAL 6 2.221 -1.387 8.750
50 H LYS 7 H LYS 7 -2.723 -0.691 8.326
51 HA LYS 7 HA LYS 7 -3.995 -1.081 10.890
52 HB2 LYS 7 HB2 LYS 7 -5.139 -0.315 8.174
53 HB3 LYS 7 HB3 LYS 7 -6.027 -0.242 9.698
54 HG2 LYS 7 HG2 LYS 7 -3.518 1.353 9.035
55 HG3 LYS 7 HG3 LYS 7 -5.173 1.967 9.071
56 HD2 LYS 7 HD2 LYS 7 -5.310 1.358 11.505
57 HD3 LYS 7 HD3 LYS 7 -3.588 0.897 11.446
58 HE2 LYS 7 HE2 LYS 7 -3.009 3.185 10.690
59 HE3 LYS 7 HE3 LYS 7 -4.715 3.642 10.763
60 HZ1 LYS 7 HZ1 LYS 7 -4.683 3.156 13.119
61 HZ2 LYS 7 HZ2 LYS 7 -3.097 2.743 13.054
62 HZ3 LYS 7 HZ3 LYS 7 -3.563 4.295 12.745
63 H LYS 8 H LYS 8 -3.833 -3.012 7.946
64 HA LYS 8 HA LYS 8 -6.083 -4.697 8.595
65 HB2 LYS 8 HB2 LYS 8 -5.264 -4.442 6.311
66 HB3 LYS 8 HB3 LYS 8 -3.677 -5.083 6.773
67 HG2 LYS 8 HG2 LYS 8 -4.673 -7.266 7.305
68 HG3 LYS 8 HG3 LYS 8 -6.292 -6.629 6.924
69 HD2 LYS 8 HD2 LYS 8 -5.566 -6.155 4.609
70 HD3 LYS 8 HD3 LYS 8 -3.954 -6.804 4.970
71 HE2 LYS 8 HE2 LYS 8 -6.578 -8.343 5.126
72 HE3 LYS 8 HE3 LYS 8 -5.406 -8.445 3.801
73 HZ1 LYS 8 HZ1 LYS 8 -5.128 -10.238 5.352
74 HZ2 LYS 8 HZ2 LYS 8 -3.795 -9.274 5.385
75 HZ3 LYS 8 HZ3 LYS 8 -4.899 -9.198 6.601
76 H VAL 9 H VAL 9 -2.620 -4.695 9.424
77 HA VAL 9 HA VAL 9 -2.658 -7.371 10.573
78 HB VAL 9 HB VAL 9 -0.759 -4.992 10.740
79 HG11 VAL 9 HG11 VAL 9 -0.429 -7.778 11.923
80 HG12 VAL 9 HG12 VAL 9 0.860 -6.559 11.787
81 HG13 VAL 9 HG13 VAL 9 -0.541 -6.254 12.831
82 HG21 VAL 9 HG21 VAL 9 -0.544 -7.731 9.410
83 HG22 VAL 9 HG22 VAL 9 -0.883 -6.207 8.563
84 HG23 VAL 9 HG23 VAL 9 0.683 -6.445 9.364
85 H VAL 10 H VAL 10 -3.108 -4.017 11.761
86 HA VAL 10 HA VAL 10 -3.257 -4.755 14.555
87 HB VAL 10 HB VAL 10 -4.206 -2.351 12.944
88 HG11 VAL 10 HG11 VAL 10 -4.180 -2.741 15.969
89 HG12 VAL 10 HG12 VAL 10 -4.448 -1.193 15.134
90 HG13 VAL 10 HG13 VAL 10 -5.617 -2.513 14.951
91 HG21 VAL 10 HG21 VAL 10 -1.748 -2.694 13.133
92 HG22 VAL 10 HG22 VAL 10 -2.285 -1.254 14.034
93 HG23 VAL 10 HG23 VAL 10 -1.903 -2.755 14.902
94 H GLY 11 H GLY 11 -5.540 -4.704 11.834
95 HA2 GLY 11 HA2 GLY 11 -7.965 -4.832 13.318
96 HA3 GLY 11 HA3 GLY 11 -7.704 -5.412 11.659
97 H ALA 12 H ALA 12 -5.528 -7.295 12.533
98 HA ALA 12 HA ALA 12 -7.172 -9.575 13.169
99 HB1 ALA 12 HB1 ALA 12 -4.141 -9.238 13.184
100 HB2 ALA 12 HB2 ALA 12 -5.027 -10.776 13.168
101 HB3 ALA 12 HB3 ALA 12 -5.124 -9.684 11.768
102 H LEU 13 H LEU 13 -5.298 -7.256 15.042
103 HA LEU 13 HA LEU 13 -5.325 -8.875 17.477
104 HB2 LEU 13 HB2 LEU 13 -4.633 -5.937 17.101
105 HB3 LEU 13 HB3 LEU 13 -4.229 -6.947 18.487
106 HG LEU 13 HG LEU 13 -3.187 -7.336 15.645
107 HD11 LEU 13 HD11 LEU 13 -2.302 -5.322 16.766
108 HD12 LEU 13 HD12 LEU 13 -1.834 -6.301 18.173
109 HD13 LEU 13 HD13 LEU 13 -1.049 -6.576 16.605
110 HD21 LEU 13 HD21 LEU 13 -1.630 -8.953 16.699
111 HD22 LEU 13 HD22 LEU 13 -2.466 -8.740 18.257
112 HD23 LEU 13 HD23 LEU 13 -3.317 -9.475 16.874
113 H GLY 14 H GLY 14 -7.788 -7.474 15.871
114 HA2 GLY 14 HA2 GLY 14 -9.940 -7.011 16.605
115 HA3 GLY 14 HA3 GLY 14 -9.382 -7.087 18.290
116 HN1 NH2 15 HN1 NH2 15 -7.306 -5.062 16.500
117 HN2 NH2 15 HN2 NH2 15 -8.034 -3.526 16.930
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 3.807 3.425 -0.419
2 H2 GLY 1 H2 GLY 1 2.703 4.588 -0.798
3 H3 GLY 1 H3 GLY 1 2.284 2.994 -0.875
4 HA2 GLY 1 HA2 GLY 1 2.984 4.478 1.561
5 HA3 GLY 1 HA3 GLY 1 1.345 3.997 1.075
6 H LEU 2 H LEU 2 1.631 3.034 3.365
7 HA LEU 2 HA LEU 2 2.131 0.163 3.030
8 HB2 LEU 2 HB2 LEU 2 4.366 1.022 3.631
9 HB3 LEU 2 HB3 LEU 2 3.665 1.876 5.021
10 HG LEU 2 HG LEU 2 3.042 -0.266 6.060
11 HD11 LEU 2 HD11 LEU 2 2.731 -1.652 4.034
12 HD12 LEU 2 HD12 LEU 2 4.470 -1.507 3.668
13 HD13 LEU 2 HD13 LEU 2 3.928 -2.385 5.118
14 HD21 LEU 2 HD21 LEU 2 5.946 -0.152 5.160
15 HD22 LEU 2 HD22 LEU 2 5.242 0.764 6.509
16 HD23 LEU 2 HD23 LEU 2 5.320 -1.011 6.590
17 H PHE 3 H PHE 3 0.979 2.924 4.981
18 HA PHE 3 HA PHE 3 0.033 1.435 7.132
19 HB2 PHE 3 HB2 PHE 3 -0.612 4.139 6.108
20 HB3 PHE 3 HB3 PHE 3 -1.632 3.421 7.353
21 HD1 PHE 3 HD1 PHE 3 -0.707 2.670 9.492
22 HD2 PHE 3 HD2 PHE 3 1.652 4.890 6.672
23 HE1 PHE 3 HE1 PHE 3 0.908 3.245 11.299
24 HE2 PHE 3 HE2 PHE 3 3.264 5.467 8.467
25 HZ PHE 3 HZ PHE 3 2.894 4.645 10.783
26 H ASP 4 H ASP 4 -1.537 1.656 4.010
27 HA ASP 4 HA ASP 4 -4.089 0.860 4.964
28 HB2 ASP 4 HB2 ASP 4 -2.744 0.410 2.278
29 HB3 ASP 4 HB3 ASP 4 -4.434 0.009 2.617
30 H ILE 5 H ILE 5 -1.139 -0.950 4.417
31 HA ILE 5 HA ILE 5 -2.415 -3.563 4.711
32 HB ILE 5 HB ILE 5 0.479 -2.625 4.697
33 HG12 ILE 5 HG12 ILE 5 -1.182 -4.098 2.608
34 HG13 ILE 5 HG13 ILE 5 -0.812 -2.366 2.579
35 HG21 ILE 5 HG21 ILE 5 1.094 -4.999 4.501
36 HG22 ILE 5 HG22 ILE 5 0.243 -4.699 6.019
37 HG23 ILE 5 HG23 ILE 5 -0.621 -5.464 4.666
38 HD11 ILE 5 HD11 ILE 5 1.616 -2.882 2.502
39 HD12 ILE 5 HD12 ILE 5 1.231 -4.620 2.418
40 HD13 ILE 5 HD13 ILE 5 0.723 -3.530 1.107
41 H VAL 6 H VAL 6 -0.648 -1.209 6.753
42 HA VAL 6 HA VAL 6 -0.257 -2.936 8.977
43 HB VAL 6 HB VAL 6 -0.545 0.092 8.878
44 HG11 VAL 6 HG11 VAL 6 0.805 0.020 10.964
45 HG12 VAL 6 HG12 VAL 6 -0.783 -0.742 11.178
46 HG13 VAL 6 HG13 VAL 6 0.672 -1.751 10.982
47 HG21 VAL 6 HG21 VAL 6 1.241 -0.766 7.409
48 HG22 VAL 6 HG22 VAL 6 1.921 0.064 8.824
49 HG23 VAL 6 HG23 VAL 6 1.910 -1.713 8.758
50 H LYS 7 H LYS 7 -3.056 -0.882 8.049
51 HA LYS 7 HA LYS 7 -4.396 -1.160 10.567
52 HB2 LYS 7 HB2 LYS 7 -5.491 -0.657 7.776
53 HB3 LYS 7 HB3 LYS 7 -6.432 -0.518 9.270
54 HG2 LYS 7 HG2 LYS 7 -3.979 1.148 8.564
55 HG3 LYS 7 HG3 LYS 7 -5.664 1.680 8.507
56 HD2 LYS 7 HD2 LYS 7 -5.841 1.233 10.974
57 HD3 LYS 7 HD3 LYS 7 -4.097 0.858 10.986
58 HE2 LYS 7 HE2 LYS 7 -3.598 3.093 10.092
59 HE3 LYS 7 HE3 LYS 7 -5.323 3.487 10.078
60 HZ1 LYS 7 HZ1 LYS 7 -3.741 2.821 12.476
61 HZ2 LYS 7 HZ2 LYS 7 -4.225 4.328 12.037
62 HZ3 LYS 7 HZ3 LYS 7 -5.341 3.200 12.463
63 H LYS 8 H LYS 8 -4.073 -3.341 7.811
64 HA LYS 8 HA LYS 8 -6.273 -5.057 8.641
65 HB2 LYS 8 HB2 LYS 8 -3.910 -5.616 6.800
66 HB3 LYS 8 HB3 LYS 8 -5.377 -6.601 6.968
67 HG2 LYS 8 HG2 LYS 8 -6.754 -4.704 6.182
68 HG3 LYS 8 HG3 LYS 8 -5.298 -3.697 6.040
69 HD2 LYS 8 HD2 LYS 8 -4.350 -5.328 4.412
70 HD3 LYS 8 HD3 LYS 8 -5.852 -6.268 4.497
71 HE2 LYS 8 HE2 LYS 8 -5.619 -3.364 3.608
72 HE3 LYS 8 HE3 LYS 8 -5.804 -4.750 2.524
73 HZ1 LYS 8 HZ1 LYS 8 -7.903 -3.694 2.929
74 HZ2 LYS 8 HZ2 LYS 8 -7.919 -5.204 3.571
75 HZ3 LYS 8 HZ3 LYS 8 -7.758 -3.894 4.552
76 H VAL 9 H VAL 9 -2.812 -4.785 9.362
77 HA VAL 9 HA VAL 9 -2.609 -7.405 10.608
78 HB VAL 9 HB VAL 9 -0.874 -4.900 10.724
79 HG11 VAL 9 HG11 VAL 9 -0.314 -7.712 11.741
80 HG12 VAL 9 HG12 VAL 9 0.880 -6.402 11.621
81 HG13 VAL 9 HG13 VAL 9 -0.493 -6.246 12.736
82 HG21 VAL 9 HG21 VAL 9 0.595 -6.177 9.214
83 HG22 VAL 9 HG22 VAL 9 -0.555 -7.533 9.216
84 HG23 VAL 9 HG23 VAL 9 -1.019 -5.977 8.495
85 H VAL 10 H VAL 10 -3.154 -4.038 11.715
86 HA VAL 10 HA VAL 10 -3.247 -4.685 14.520
87 HB VAL 10 HB VAL 10 -4.347 -2.372 12.870
88 HG11 VAL 10 HG11 VAL 10 -4.133 -2.660 15.898
89 HG12 VAL 10 HG12 VAL 10 -4.505 -1.155 15.021
90 HG13 VAL 10 HG13 VAL 10 -5.633 -2.522 14.959
91 HG21 VAL 10 HG21 VAL 10 -1.910 -2.633 14.679
92 HG22 VAL 10 HG22 VAL 10 -1.874 -2.587 12.905
93 HG23 VAL 10 HG23 VAL 10 -2.413 -1.164 13.816
94 H GLY 11 H GLY 11 -5.583 -4.823 11.846
95 HA2 GLY 11 HA2 GLY 11 -7.975 -4.949 13.379
96 HA3 GLY 11 HA3 GLY 11 -7.723 -5.610 11.749
97 H ALA 12 H ALA 12 -5.497 -7.402 12.636
98 HA ALA 12 HA ALA 12 -7.075 -9.664 13.434
99 HB1 ALA 12 HB1 ALA 12 -4.056 -9.258 13.375
100 HB2 ALA 12 HB2 ALA 12 -4.899 -10.820 13.451
101 HB3 ALA 12 HB3 ALA 12 -5.049 -9.795 12.001
102 H LEU 13 H LEU 13 -5.184 -7.235 15.159
103 HA LEU 13 HA LEU 13 -5.160 -8.722 17.669
104 HB2 LEU 13 HB2 LEU 13 -4.551 -5.797 17.141
105 HB3 LEU 13 HB3 LEU 13 -4.088 -6.736 18.566
106 HG LEU 13 HG LEU 13 -3.099 -7.207 15.716
107 HD11 LEU 13 HD11 LEU 13 -1.722 -6.081 18.187
108 HD12 LEU 13 HD12 LEU 13 -0.950 -6.388 16.613
109 HD13 LEU 13 HD13 LEU 13 -2.219 -5.149 16.753
110 HD21 LEU 13 HD21 LEU 13 -2.315 -8.519 18.357
111 HD22 LEU 13 HD22 LEU 13 -3.180 -9.305 17.012
112 HD23 LEU 13 HD23 LEU 13 -1.500 -8.772 16.799
113 H GLY 14 H GLY 14 -7.664 -7.416 16.019
114 HA2 GLY 14 HA2 GLY 14 -9.817 -6.972 16.736
115 HA3 GLY 14 HA3 GLY 14 -9.264 -6.971 18.422
116 HN1 NH2 15 HN1 NH2 15 -7.229 -4.975 16.562
117 HN2 NH2 15 HN2 NH2 15 -7.984 -3.438 16.929
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 1.292 2.336 -1.336
2 H2 GLY 1 H2 GLY 1 2.769 3.002 -1.056
3 H3 GLY 1 H3 GLY 1 1.501 3.963 -1.486
4 HA2 GLY 1 HA2 GLY 1 1.953 4.185 0.846
5 HA3 GLY 1 HA3 GLY 1 0.351 3.481 0.548
6 H LEU 2 H LEU 2 1.012 2.921 2.939
7 HA LEU 2 HA LEU 2 1.743 0.073 2.924
8 HB2 LEU 2 HB2 LEU 2 3.915 1.206 3.151
9 HB3 LEU 2 HB3 LEU 2 3.287 2.167 4.495
10 HG LEU 2 HG LEU 2 2.992 0.134 5.860
11 HD11 LEU 2 HD11 LEU 2 2.611 -1.527 4.071
12 HD12 LEU 2 HD12 LEU 2 4.271 -1.276 3.468
13 HD13 LEU 2 HD13 LEU 2 3.996 -2.001 5.068
14 HD21 LEU 2 HD21 LEU 2 5.102 1.396 5.946
15 HD22 LEU 2 HD22 LEU 2 5.384 -0.344 6.180
16 HD23 LEU 2 HD23 LEU 2 5.758 0.408 4.617
17 H PHE 3 H PHE 3 0.458 2.949 4.575
18 HA PHE 3 HA PHE 3 -0.143 1.742 7.016
19 HB2 PHE 3 HB2 PHE 3 -1.220 4.136 5.607
20 HB3 PHE 3 HB3 PHE 3 -2.022 3.547 7.061
21 HD1 PHE 3 HD1 PHE 3 -0.886 3.424 9.203
22 HD2 PHE 3 HD2 PHE 3 0.993 5.184 5.766
23 HE1 PHE 3 HE1 PHE 3 0.778 4.533 10.681
24 HE2 PHE 3 HE2 PHE 3 2.662 6.287 7.233
25 HZ PHE 3 HZ PHE 3 2.549 5.969 9.695
26 H ASP 4 H ASP 4 -1.943 1.318 4.034
27 HA ASP 4 HA ASP 4 -4.293 0.388 5.369
28 HB2 ASP 4 HB2 ASP 4 -3.238 -0.114 2.571
29 HB3 ASP 4 HB3 ASP 4 -4.813 -0.679 3.153
30 H ILE 5 H ILE 5 -1.243 -1.138 4.570
31 HA ILE 5 HA ILE 5 -2.189 -3.849 5.120
32 HB ILE 5 HB ILE 5 0.565 -2.618 4.718
33 HG12 ILE 5 HG12 ILE 5 -1.192 -4.354 2.923
34 HG13 ILE 5 HG13 ILE 5 -0.957 -2.610 2.755
35 HG21 ILE 5 HG21 ILE 5 0.701 -4.635 6.152
36 HG22 ILE 5 HG22 ILE 5 -0.224 -5.551 4.938
37 HG23 ILE 5 HG23 ILE 5 1.405 -4.930 4.563
38 HD11 ILE 5 HD11 ILE 5 1.186 -4.755 2.455
39 HD12 ILE 5 HD12 ILE 5 0.483 -3.752 1.178
40 HD13 ILE 5 HD13 ILE 5 1.495 -2.997 2.426
41 H VAL 6 H VAL 6 -0.435 -1.242 6.848
42 HA VAL 6 HA VAL 6 0.223 -2.820 9.151
43 HB VAL 6 HB VAL 6 -0.198 0.174 8.786
44 HG11 VAL 6 HG11 VAL 6 -0.410 -0.411 11.166
45 HG12 VAL 6 HG12 VAL 6 1.104 -1.345 11.085
46 HG13 VAL 6 HG13 VAL 6 1.129 0.417 10.864
47 HG21 VAL 6 HG21 VAL 6 2.269 0.224 8.695
48 HG22 VAL 6 HG22 VAL 6 2.316 -1.547 8.884
49 HG23 VAL 6 HG23 VAL 6 1.622 -0.830 7.418
50 H LYS 7 H LYS 7 -2.600 -0.755 8.299
51 HA LYS 7 HA LYS 7 -3.917 -1.101 10.831
52 HB2 LYS 7 HB2 LYS 7 -4.884 -0.277 8.079
53 HB3 LYS 7 HB3 LYS 7 -5.913 -0.280 9.526
54 HG2 LYS 7 HG2 LYS 7 -4.484 1.324 10.649
55 HG3 LYS 7 HG3 LYS 7 -3.265 1.215 9.374
56 HD2 LYS 7 HD2 LYS 7 -4.565 3.267 9.107
57 HD3 LYS 7 HD3 LYS 7 -4.825 2.180 7.739
58 HE2 LYS 7 HE2 LYS 7 -6.940 3.178 8.444
59 HE3 LYS 7 HE3 LYS 7 -6.972 1.435 8.741
60 HZ1 LYS 7 HZ1 LYS 7 -6.473 1.893 11.053
61 HZ2 LYS 7 HZ2 LYS 7 -6.435 3.511 10.759
62 HZ3 LYS 7 HZ3 LYS 7 -7.838 2.677 10.594
63 H LYS 8 H LYS 8 -3.752 -3.061 7.901
64 HA LYS 8 HA LYS 8 -6.039 -4.714 8.535
65 HB2 LYS 8 HB2 LYS 8 -5.203 -4.488 6.268
66 HB3 LYS 8 HB3 LYS 8 -3.622 -5.149 6.746
67 HG2 LYS 8 HG2 LYS 8 -4.649 -7.309 7.288
68 HG3 LYS 8 HG3 LYS 8 -6.261 -6.665 6.912
69 HD2 LYS 8 HD2 LYS 8 -5.551 -6.262 4.571
70 HD3 LYS 8 HD3 LYS 8 -3.922 -6.858 4.962
71 HE2 LYS 8 HE2 LYS 8 -5.227 -8.616 3.855
72 HE3 LYS 8 HE3 LYS 8 -4.866 -9.068 5.527
73 HZ1 LYS 8 HZ1 LYS 8 -7.083 -8.391 6.128
74 HZ2 LYS 8 HZ2 LYS 8 -7.418 -7.935 4.581
75 HZ3 LYS 8 HZ3 LYS 8 -7.147 -9.512 4.934
76 H VAL 9 H VAL 9 -2.580 -4.761 9.407
77 HA VAL 9 HA VAL 9 -2.692 -7.441 10.545
78 HB VAL 9 HB VAL 9 -0.730 -5.117 10.728
79 HG11 VAL 9 HG11 VAL 9 -0.481 -7.928 11.874
80 HG12 VAL 9 HG12 VAL 9 0.843 -6.742 11.747
81 HG13 VAL 9 HG13 VAL 9 -0.540 -6.413 12.807
82 HG21 VAL 9 HG21 VAL 9 -0.889 -6.288 8.541
83 HG22 VAL 9 HG22 VAL 9 0.674 -6.589 9.329
84 HG23 VAL 9 HG23 VAL 9 -0.586 -7.839 9.356
85 H VAL 10 H VAL 10 -3.008 -4.070 11.758
86 HA VAL 10 HA VAL 10 -3.198 -4.817 14.538
87 HB VAL 10 HB VAL 10 -4.086 -2.375 12.949
88 HG11 VAL 10 HG11 VAL 10 -5.476 -2.503 14.977
89 HG12 VAL 10 HG12 VAL 10 -4.024 -2.784 15.969
90 HG13 VAL 10 HG13 VAL 10 -4.256 -1.226 15.146
91 HG21 VAL 10 HG21 VAL 10 -2.111 -1.337 14.010
92 HG22 VAL 10 HG22 VAL 10 -1.775 -2.850 14.881
93 HG23 VAL 10 HG23 VAL 10 -1.630 -2.787 13.109
94 H GLY 11 H GLY 11 -5.490 -4.682 11.827
95 HA2 GLY 11 HA2 GLY 11 -7.911 -4.729 13.314
96 HA3 GLY 11 HA3 GLY 11 -7.677 -5.318 11.656
97 H ALA 12 H ALA 12 -5.555 -7.276 12.530
98 HA ALA 12 HA ALA 12 -7.302 -9.485 13.152
99 HB1 ALA 12 HB1 ALA 12 -5.293 -9.687 11.736
100 HB2 ALA 12 HB2 ALA 12 -4.265 -9.280 13.141
101 HB3 ALA 12 HB3 ALA 12 -5.214 -10.785 13.133
102 H LEU 13 H LEU 13 -5.331 -7.257 15.027
103 HA LEU 13 HA LEU 13 -5.395 -8.888 17.452
104 HB2 LEU 13 HB2 LEU 13 -4.622 -5.966 17.090
105 HB3 LEU 13 HB3 LEU 13 -4.242 -7.000 18.469
106 HG LEU 13 HG LEU 13 -3.217 -7.403 15.623
107 HD11 LEU 13 HD11 LEU 13 -1.833 -6.423 18.151
108 HD12 LEU 13 HD12 LEU 13 -1.058 -6.713 16.571
109 HD13 LEU 13 HD13 LEU 13 -2.270 -5.428 16.744
110 HD21 LEU 13 HD21 LEU 13 -3.419 -9.541 16.855
111 HD22 LEU 13 HD22 LEU 13 -1.718 -9.072 16.675
112 HD23 LEU 13 HD23 LEU 13 -2.543 -8.835 18.235
113 H GLY 14 H GLY 14 -7.828 -7.400 15.877
114 HA2 GLY 14 HA2 GLY 14 -9.958 -6.916 16.628
115 HA3 GLY 14 HA3 GLY 14 -9.401 -7.003 18.309
116 HN1 NH2 15 HN1 NH2 15 -7.312 -5.006 16.479
117 HN2 NH2 15 HN2 NH2 15 -8.000 -3.458 16.927
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 2.633 4.476 -0.903
2 H2 GLY 1 H2 GLY 1 2.296 2.868 -1.022
3 H3 GLY 1 H3 GLY 1 3.757 3.366 -0.439
4 HA2 GLY 1 HA2 GLY 1 2.724 4.349 1.474
5 HA3 GLY 1 HA3 GLY 1 1.153 3.819 0.847
6 H LEU 2 H LEU 2 1.553 2.940 3.272
7 HA LEU 2 HA LEU 2 1.982 0.052 2.949
8 HB2 LEU 2 HB2 LEU 2 4.257 0.890 3.419
9 HB3 LEU 2 HB3 LEU 2 3.645 1.761 4.835
10 HG LEU 2 HG LEU 2 3.050 -0.359 5.927
11 HD11 LEU 2 HD11 LEU 2 3.874 -2.497 4.947
12 HD12 LEU 2 HD12 LEU 2 2.608 -1.764 3.944
13 HD13 LEU 2 HD13 LEU 2 4.317 -1.628 3.458
14 HD21 LEU 2 HD21 LEU 2 5.896 -0.271 4.859
15 HD22 LEU 2 HD22 LEU 2 5.281 0.632 6.265
16 HD23 LEU 2 HD23 LEU 2 5.355 -1.141 6.318
17 H PHE 3 H PHE 3 0.969 2.855 4.917
18 HA PHE 3 HA PHE 3 0.130 1.403 7.142
19 HB2 PHE 3 HB2 PHE 3 -0.570 4.106 6.107
20 HB3 PHE 3 HB3 PHE 3 -1.491 3.416 7.441
21 HD1 PHE 3 HD1 PHE 3 -0.417 2.742 9.536
22 HD2 PHE 3 HD2 PHE 3 1.723 4.857 6.474
23 HE1 PHE 3 HE1 PHE 3 1.352 3.336 11.187
24 HE2 PHE 3 HE2 PHE 3 3.478 5.472 8.128
25 HZ PHE 3 HZ PHE 3 3.292 4.708 10.479
26 H ASP 4 H ASP 4 -1.595 1.644 4.104
27 HA ASP 4 HA ASP 4 -4.101 0.866 5.204
28 HB2 ASP 4 HB2 ASP 4 -2.938 0.466 2.425
29 HB3 ASP 4 HB3 ASP 4 -4.607 0.073 2.871
30 H ILE 5 H ILE 5 -1.211 -0.972 4.458
31 HA ILE 5 HA ILE 5 -2.517 -3.566 4.811
32 HB ILE 5 HB ILE 5 0.383 -2.666 4.657
33 HG12 ILE 5 HG12 ILE 5 -1.379 -4.162 2.664
34 HG13 ILE 5 HG13 ILE 5 -1.006 -2.435 2.586
35 HG21 ILE 5 HG21 ILE 5 0.213 -4.713 6.013
36 HG22 ILE 5 HG22 ILE 5 -0.759 -5.488 4.737
37 HG23 ILE 5 HG23 ILE 5 0.949 -5.075 4.450
38 HD11 ILE 5 HD11 ILE 5 0.461 -3.633 1.070
39 HD12 ILE 5 HD12 ILE 5 1.415 -2.958 2.402
40 HD13 ILE 5 HD13 ILE 5 1.023 -4.699 2.372
41 H VAL 6 H VAL 6 -0.643 -1.226 6.787
42 HA VAL 6 HA VAL 6 -0.268 -2.937 9.029
43 HB VAL 6 HB VAL 6 -0.555 0.096 8.927
44 HG11 VAL 6 HG11 VAL 6 0.713 -1.728 11.007
45 HG12 VAL 6 HG12 VAL 6 0.802 0.052 10.989
46 HG13 VAL 6 HG13 VAL 6 -0.759 -0.747 11.225
47 HG21 VAL 6 HG21 VAL 6 1.918 -1.684 8.775
48 HG22 VAL 6 HG22 VAL 6 1.231 -0.753 7.429
49 HG23 VAL 6 HG23 VAL 6 1.911 0.091 8.832
50 H LYS 7 H LYS 7 -3.038 -0.886 8.039
51 HA LYS 7 HA LYS 7 -4.467 -1.109 10.501
52 HB2 LYS 7 HB2 LYS 7 -5.081 -0.321 7.688
53 HB3 LYS 7 HB3 LYS 7 -6.448 -0.884 8.663
54 HG2 LYS 7 HG2 LYS 7 -6.292 1.502 8.921
55 HG3 LYS 7 HG3 LYS 7 -5.841 0.732 10.454
56 HD2 LYS 7 HD2 LYS 7 -3.437 1.065 9.903
57 HD3 LYS 7 HD3 LYS 7 -3.917 1.829 8.372
58 HE2 LYS 7 HE2 LYS 7 -3.407 3.548 10.025
59 HE3 LYS 7 HE3 LYS 7 -5.125 3.582 9.606
60 HZ1 LYS 7 HZ1 LYS 7 -3.991 2.329 12.020
61 HZ2 LYS 7 HZ2 LYS 7 -4.786 3.766 11.962
62 HZ3 LYS 7 HZ3 LYS 7 -5.587 2.371 11.621
63 H LYS 8 H LYS 8 -4.034 -3.378 7.827
64 HA LYS 8 HA LYS 8 -6.217 -5.103 8.707
65 HB2 LYS 8 HB2 LYS 8 -3.884 -5.608 6.813
66 HB3 LYS 8 HB3 LYS 8 -5.289 -6.669 7.027
67 HG2 LYS 8 HG2 LYS 8 -6.788 -4.854 6.251
68 HG3 LYS 8 HG3 LYS 8 -5.385 -3.785 6.038
69 HD2 LYS 8 HD2 LYS 8 -4.424 -5.371 4.395
70 HD3 LYS 8 HD3 LYS 8 -5.844 -6.427 4.593
71 HE2 LYS 8 HE2 LYS 8 -7.314 -4.578 3.832
72 HE3 LYS 8 HE3 LYS 8 -5.895 -3.534 3.629
73 HZ1 LYS 8 HZ1 LYS 8 -6.578 -4.543 1.565
74 HZ2 LYS 8 HZ2 LYS 8 -5.080 -5.071 1.979
75 HZ3 LYS 8 HZ3 LYS 8 -6.385 -6.052 2.184
76 H VAL 9 H VAL 9 -2.755 -4.772 9.357
77 HA VAL 9 HA VAL 9 -2.480 -7.369 10.638
78 HB VAL 9 HB VAL 9 -0.811 -4.815 10.690
79 HG11 VAL 9 HG11 VAL 9 -0.178 -7.574 11.806
80 HG12 VAL 9 HG12 VAL 9 0.993 -6.248 11.626
81 HG13 VAL 9 HG13 VAL 9 -0.372 -6.074 12.746
82 HG21 VAL 9 HG21 VAL 9 0.692 -6.104 9.220
83 HG22 VAL 9 HG22 VAL 9 -0.411 -7.490 9.281
84 HG23 VAL 9 HG23 VAL 9 -0.925 -5.974 8.498
85 H VAL 10 H VAL 10 -3.107 -3.999 11.712
86 HA VAL 10 HA VAL 10 -3.193 -4.656 14.527
87 HB VAL 10 HB VAL 10 -4.258 -2.323 12.876
88 HG11 VAL 10 HG11 VAL 10 -4.075 -2.646 15.900
89 HG12 VAL 10 HG12 VAL 10 -4.436 -1.125 15.051
90 HG13 VAL 10 HG13 VAL 10 -5.571 -2.483 14.954
91 HG21 VAL 10 HG21 VAL 10 -1.778 -2.567 12.961
92 HG22 VAL 10 HG22 VAL 10 -2.321 -1.136 13.862
93 HG23 VAL 10 HG23 VAL 10 -1.858 -2.619 14.733
94 H GLY 11 H GLY 11 -5.500 -4.754 11.825
95 HA2 GLY 11 HA2 GLY 11 -7.906 -4.865 13.338
96 HA3 GLY 11 HA3 GLY 11 -7.649 -5.515 11.700
97 H ALA 12 H ALA 12 -5.451 -7.336 12.578
98 HA ALA 12 HA ALA 12 -7.043 -9.607 13.324
99 HB1 ALA 12 HB1 ALA 12 -4.027 -9.186 13.322
100 HB2 ALA 12 HB2 ALA 12 -4.857 -10.756 13.387
101 HB3 ALA 12 HB3 ALA 12 -5.005 -9.746 11.936
102 H LEU 13 H LEU 13 -5.233 -7.185 15.125
103 HA LEU 13 HA LEU 13 -5.211 -8.731 17.602
104 HB2 LEU 13 HB2 LEU 13 -4.592 -5.788 17.142
105 HB3 LEU 13 HB3 LEU 13 -4.147 -6.751 18.551
106 HG LEU 13 HG LEU 13 -3.124 -7.203 15.711
107 HD11 LEU 13 HD11 LEU 13 -1.771 -6.093 18.203
108 HD12 LEU 13 HD12 LEU 13 -0.986 -6.381 16.630
109 HD13 LEU 13 HD13 LEU 13 -2.258 -5.146 16.779
110 HD21 LEU 13 HD21 LEU 13 -3.219 -9.301 16.993
111 HD22 LEU 13 HD22 LEU 13 -1.537 -8.762 16.800
112 HD23 LEU 13 HD23 LEU 13 -2.373 -8.526 18.355
113 H GLY 14 H GLY 14 -7.719 -7.444 15.975
114 HA2 GLY 14 HA2 GLY 14 -9.874 -7.045 16.697
115 HA3 GLY 14 HA3 GLY 14 -9.319 -7.025 18.384
116 HN1 NH2 15 HN1 NH2 15 -7.317 -5.003 16.515
117 HN2 NH2 15 HN2 NH2 15 -8.099 -3.474 16.863
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 1.496 2.246 -1.282
2 H2 GLY 1 H2 GLY 1 3.042 2.774 -1.052
3 H3 GLY 1 H3 GLY 1 1.858 3.848 -1.457
4 HA2 GLY 1 HA2 GLY 1 2.388 4.052 0.854
5 HA3 GLY 1 HA3 GLY 1 0.728 3.464 0.611
6 H LEU 2 H LEU 2 1.233 2.795 2.956
7 HA LEU 2 HA LEU 2 1.869 -0.067 2.926
8 HB2 LEU 2 HB2 LEU 2 4.086 0.969 3.238
9 HB3 LEU 2 HB3 LEU 2 3.444 1.952 4.568
10 HG LEU 2 HG LEU 2 3.015 -0.090 5.901
11 HD11 LEU 2 HD11 LEU 2 2.650 -1.706 4.072
12 HD12 LEU 2 HD12 LEU 2 4.345 -1.529 3.557
13 HD13 LEU 2 HD13 LEU 2 3.949 -2.258 5.132
14 HD21 LEU 2 HD21 LEU 2 5.171 1.083 6.103
15 HD22 LEU 2 HD22 LEU 2 5.383 -0.667 6.312
16 HD23 LEU 2 HD23 LEU 2 5.839 0.105 4.777
17 H PHE 3 H PHE 3 0.681 2.850 4.588
18 HA PHE 3 HA PHE 3 -0.024 1.620 6.992
19 HB2 PHE 3 HB2 PHE 3 -0.934 4.114 5.645
20 HB3 PHE 3 HB3 PHE 3 -1.773 3.522 7.079
21 HD1 PHE 3 HD1 PHE 3 -0.608 3.195 9.204
22 HD2 PHE 3 HD2 PHE 3 1.305 5.074 5.854
23 HE1 PHE 3 HE1 PHE 3 1.133 4.126 10.722
24 HE2 PHE 3 HE2 PHE 3 3.042 6.013 7.368
25 HZ PHE 3 HZ PHE 3 2.953 5.531 9.800
26 H ASP 4 H ASP 4 -1.789 1.342 3.980
27 HA ASP 4 HA ASP 4 -4.211 0.522 5.247
28 HB2 ASP 4 HB2 ASP 4 -3.101 -0.110 2.490
29 HB3 ASP 4 HB3 ASP 4 -4.731 -0.538 3.032
30 H ILE 5 H ILE 5 -1.208 -1.153 4.581
31 HA ILE 5 HA ILE 5 -2.300 -3.795 5.173
32 HB ILE 5 HB ILE 5 0.519 -2.699 4.846
33 HG12 ILE 5 HG12 ILE 5 -1.208 -4.458 3.058
34 HG13 ILE 5 HG13 ILE 5 -0.932 -2.726 2.820
35 HG21 ILE 5 HG21 ILE 5 -0.394 -5.584 5.179
36 HG22 ILE 5 HG22 ILE 5 1.264 -5.058 4.802
37 HG23 ILE 5 HG23 ILE 5 0.546 -4.646 6.364
38 HD11 ILE 5 HD11 ILE 5 0.549 -3.966 1.353
39 HD12 ILE 5 HD12 ILE 5 1.512 -3.154 2.601
40 HD13 ILE 5 HD13 ILE 5 1.192 -4.904 2.716
41 H VAL 6 H VAL 6 -0.553 -1.187 6.903
42 HA VAL 6 HA VAL 6 -0.008 -2.691 9.267
43 HB VAL 6 HB VAL 6 -0.468 0.297 8.883
44 HG11 VAL 6 HG11 VAL 6 0.854 -1.240 11.159
45 HG12 VAL 6 HG12 VAL 6 0.862 0.525 10.970
46 HG13 VAL 6 HG13 VAL 6 -0.668 -0.324 11.259
47 HG21 VAL 6 HG21 VAL 6 2.002 0.405 8.823
48 HG22 VAL 6 HG22 VAL 6 2.083 -1.369 8.948
49 HG23 VAL 6 HG23 VAL 6 1.375 -0.604 7.504
50 H LYS 7 H LYS 7 -2.838 -0.713 8.256
51 HA LYS 7 HA LYS 7 -4.241 -1.015 10.742
52 HB2 LYS 7 HB2 LYS 7 -5.197 -0.435 7.920
53 HB3 LYS 7 HB3 LYS 7 -6.238 -0.366 9.347
54 HG2 LYS 7 HG2 LYS 7 -3.731 1.318 8.916
55 HG3 LYS 7 HG3 LYS 7 -5.384 1.875 8.668
56 HD2 LYS 7 HD2 LYS 7 -4.169 0.976 11.320
57 HD3 LYS 7 HD3 LYS 7 -4.515 2.635 10.822
58 HE2 LYS 7 HE2 LYS 7 -6.922 2.072 10.629
59 HE3 LYS 7 HE3 LYS 7 -6.584 0.425 11.190
60 HZ1 LYS 7 HZ1 LYS 7 -6.085 2.893 12.715
61 HZ2 LYS 7 HZ2 LYS 7 -7.312 1.839 12.978
62 HZ3 LYS 7 HZ3 LYS 7 -5.763 1.368 13.247
63 H LYS 8 H LYS 8 -3.880 -3.116 7.927
64 HA LYS 8 HA LYS 8 -6.126 -4.825 8.614
65 HB2 LYS 8 HB2 LYS 8 -5.305 -4.599 6.327
66 HB3 LYS 8 HB3 LYS 8 -3.720 -5.245 6.800
67 HG2 LYS 8 HG2 LYS 8 -4.758 -7.384 7.453
68 HG3 LYS 8 HG3 LYS 8 -6.355 -6.765 7.001
69 HD2 LYS 8 HD2 LYS 8 -3.970 -7.101 5.129
70 HD3 LYS 8 HD3 LYS 8 -5.355 -8.198 5.231
71 HE2 LYS 8 HE2 LYS 8 -5.466 -5.264 4.419
72 HE3 LYS 8 HE3 LYS 8 -5.531 -6.643 3.319
73 HZ1 LYS 8 HZ1 LYS 8 -7.524 -6.059 5.404
74 HZ2 LYS 8 HZ2 LYS 8 -7.710 -5.825 3.793
75 HZ3 LYS 8 HZ3 LYS 8 -7.550 -7.349 4.388
76 H VAL 9 H VAL 9 -2.640 -4.738 9.375
77 HA VAL 9 HA VAL 9 -2.570 -7.377 10.586
78 HB VAL 9 HB VAL 9 -0.770 -4.926 10.694
79 HG11 VAL 9 HG11 VAL 9 -0.308 -7.682 11.910
80 HG12 VAL 9 HG12 VAL 9 0.923 -6.414 11.752
81 HG13 VAL 9 HG13 VAL 9 -0.480 -6.152 12.801
82 HG21 VAL 9 HG21 VAL 9 0.717 -6.336 9.317
83 HG22 VAL 9 HG22 VAL 9 -0.458 -7.668 9.400
84 HG23 VAL 9 HG23 VAL 9 -0.867 -6.170 8.539
85 H VAL 10 H VAL 10 -3.065 -4.003 11.758
86 HA VAL 10 HA VAL 10 -3.199 -4.755 14.548
87 HB VAL 10 HB VAL 10 -4.117 -2.317 12.967
88 HG11 VAL 10 HG11 VAL 10 -4.056 -2.736 15.985
89 HG12 VAL 10 HG12 VAL 10 -4.305 -1.177 15.158
90 HG13 VAL 10 HG13 VAL 10 -5.503 -2.473 14.980
91 HG21 VAL 10 HG21 VAL 10 -1.663 -2.708 13.112
92 HG22 VAL 10 HG22 VAL 10 -2.154 -1.266 14.028
93 HG23 VAL 10 HG23 VAL 10 -1.789 -2.785 14.881
94 H GLY 11 H GLY 11 -5.502 -4.643 11.840
95 HA2 GLY 11 HA2 GLY 11 -7.914 -4.733 13.346
96 HA3 GLY 11 HA3 GLY 11 -7.683 -5.309 11.684
97 H ALA 12 H ALA 12 -5.530 -7.241 12.485
98 HA ALA 12 HA ALA 12 -7.222 -9.488 13.112
99 HB1 ALA 12 HB1 ALA 12 -4.192 -9.191 13.054
100 HB2 ALA 12 HB2 ALA 12 -5.086 -10.727 13.059
101 HB3 ALA 12 HB3 ALA 12 -5.222 -9.626 11.669
102 H LEU 13 H LEU 13 -5.267 -7.249 14.998
103 HA LEU 13 HA LEU 13 -5.274 -8.925 17.387
104 HB2 LEU 13 HB2 LEU 13 -4.585 -5.980 17.084
105 HB3 LEU 13 HB3 LEU 13 -4.164 -7.031 18.441
106 HG LEU 13 HG LEU 13 -3.154 -7.341 15.573
107 HD11 LEU 13 HD11 LEU 13 -1.001 -6.626 16.521
108 HD12 LEU 13 HD12 LEU 13 -2.237 -5.373 16.754
109 HD13 LEU 13 HD13 LEU 13 -1.753 -6.414 18.117
110 HD21 LEU 13 HD21 LEU 13 -3.292 -9.512 16.722
111 HD22 LEU 13 HD22 LEU 13 -1.601 -9.004 16.570
112 HD23 LEU 13 HD23 LEU 13 -2.435 -8.838 18.130
113 H GLY 14 H GLY 14 -7.746 -7.427 15.853
114 HA2 GLY 14 HA2 GLY 14 -9.886 -7.002 16.616
115 HA3 GLY 14 HA3 GLY 14 -9.327 -7.154 18.291
116 HN1 NH2 15 HN1 NH2 15 -7.282 -5.050 16.518
117 HN2 NH2 15 HN2 NH2 15 -7.987 -3.532 17.029
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 1.774 3.415 -1.832
2 H2 GLY 1 H2 GLY 1 1.488 1.801 -1.634
3 H3 GLY 1 H3 GLY 1 2.977 2.427 -1.301
4 HA2 GLY 1 HA2 GLY 1 2.124 3.698 0.512
5 HA3 GLY 1 HA3 GLY 1 0.510 3.039 0.169
6 H LEU 2 H LEU 2 1.178 2.580 2.639
7 HA LEU 2 HA LEU 2 1.679 -0.313 2.738
8 HB2 LEU 2 HB2 LEU 2 3.950 0.647 2.844
9 HB3 LEU 2 HB3 LEU 2 3.438 1.716 4.160
10 HG LEU 2 HG LEU 2 3.023 -0.235 5.618
11 HD11 LEU 2 HD11 LEU 2 4.131 -1.831 3.267
12 HD12 LEU 2 HD12 LEU 2 3.848 -2.472 4.900
13 HD13 LEU 2 HD13 LEU 2 2.471 -1.929 3.913
14 HD21 LEU 2 HD21 LEU 2 5.228 0.865 5.609
15 HD22 LEU 2 HD22 LEU 2 5.373 -0.876 5.925
16 HD23 LEU 2 HD23 LEU 2 5.769 -0.229 4.315
17 H PHE 3 H PHE 3 0.664 2.731 4.290
18 HA PHE 3 HA PHE 3 0.100 1.659 6.798
19 HB2 PHE 3 HB2 PHE 3 -0.826 4.100 5.378
20 HB3 PHE 3 HB3 PHE 3 -1.607 3.605 6.884
21 HD1 PHE 3 HD1 PHE 3 -0.360 3.385 8.964
22 HD2 PHE 3 HD2 PHE 3 1.460 4.965 5.412
23 HE1 PHE 3 HE1 PHE 3 1.476 4.356 10.339
24 HE2 PHE 3 HE2 PHE 3 3.295 5.928 6.780
25 HZ PHE 3 HZ PHE 3 3.299 5.636 9.241
26 H ASP 4 H ASP 4 -1.856 1.285 3.919
27 HA ASP 4 HA ASP 4 -4.210 0.574 5.357
28 HB2 ASP 4 HB2 ASP 4 -3.275 -0.145 2.559
29 HB3 ASP 4 HB3 ASP 4 -4.862 -0.588 3.212
30 H ILE 5 H ILE 5 -1.293 -1.198 4.585
31 HA ILE 5 HA ILE 5 -2.398 -3.792 5.363
32 HB ILE 5 HB ILE 5 0.398 -2.779 4.745
33 HG12 ILE 5 HG12 ILE 5 -1.467 -4.676 3.250
34 HG13 ILE 5 HG13 ILE 5 -1.260 -2.959 2.877
35 HG21 ILE 5 HG21 ILE 5 1.121 -5.141 4.812
36 HG22 ILE 5 HG22 ILE 5 0.554 -4.603 6.394
37 HG23 ILE 5 HG23 ILE 5 -0.502 -5.616 5.376
38 HD11 ILE 5 HD11 ILE 5 0.102 -4.276 1.363
39 HD12 ILE 5 HD12 ILE 5 1.166 -3.360 2.453
40 HD13 ILE 5 HD13 ILE 5 0.893 -5.105 2.716
41 H VAL 6 H VAL 6 -0.520 -1.137 6.859
42 HA VAL 6 HA VAL 6 0.161 -2.556 9.248
43 HB VAL 6 HB VAL 6 -0.302 0.413 8.768
44 HG11 VAL 6 HG11 VAL 6 -0.392 -0.107 11.176
45 HG12 VAL 6 HG12 VAL 6 1.118 -1.033 11.039
46 HG13 VAL 6 HG13 VAL 6 1.124 0.725 10.778
47 HG21 VAL 6 HG21 VAL 6 2.150 0.508 8.581
48 HG22 VAL 6 HG22 VAL 6 2.250 -1.252 8.792
49 HG23 VAL 6 HG23 VAL 6 1.465 -0.571 7.345
50 H LYS 7 H LYS 7 -2.719 -0.588 8.342
51 HA LYS 7 HA LYS 7 -3.984 -0.901 10.911
52 HB2 LYS 7 HB2 LYS 7 -5.085 -0.238 8.149
53 HB3 LYS 7 HB3 LYS 7 -6.025 -0.150 9.644
54 HG2 LYS 7 HG2 LYS 7 -3.506 1.461 9.029
55 HG3 LYS 7 HG3 LYS 7 -5.164 2.065 8.953
56 HD2 LYS 7 HD2 LYS 7 -3.711 1.085 11.450
57 HD3 LYS 7 HD3 LYS 7 -4.065 2.761 11.037
58 HE2 LYS 7 HE2 LYS 7 -6.143 0.597 11.564
59 HE3 LYS 7 HE3 LYS 7 -5.646 1.861 12.700
60 HZ1 LYS 7 HZ1 LYS 7 -6.930 2.330 10.095
61 HZ2 LYS 7 HZ2 LYS 7 -7.647 2.469 11.572
62 HZ3 LYS 7 HZ3 LYS 7 -6.444 3.499 11.141
63 H LYS 8 H LYS 8 -3.819 -2.914 8.004
64 HA LYS 8 HA LYS 8 -6.060 -4.592 8.696
65 HB2 LYS 8 HB2 LYS 8 -5.254 -4.368 6.409
66 HB3 LYS 8 HB3 LYS 8 -3.661 -4.991 6.877
67 HG2 LYS 8 HG2 LYS 8 -4.646 -7.166 7.450
68 HG3 LYS 8 HG3 LYS 8 -6.269 -6.559 7.045
69 HD2 LYS 8 HD2 LYS 8 -5.540 -6.149 4.721
70 HD3 LYS 8 HD3 LYS 8 -3.903 -6.728 5.124
71 HE2 LYS 8 HE2 LYS 8 -4.831 -8.938 5.710
72 HE3 LYS 8 HE3 LYS 8 -6.466 -8.360 5.333
73 HZ1 LYS 8 HZ1 LYS 8 -4.229 -8.530 3.423
74 HZ2 LYS 8 HZ2 LYS 8 -5.498 -9.577 3.505
75 HZ3 LYS 8 HZ3 LYS 8 -5.749 -8.019 3.065
76 H VAL 9 H VAL 9 -2.593 -4.585 9.497
77 HA VAL 9 HA VAL 9 -2.591 -7.262 10.629
78 HB VAL 9 HB VAL 9 -0.743 -4.854 10.779
79 HG11 VAL 9 HG11 VAL 9 -0.376 -7.598 12.060
80 HG12 VAL 9 HG12 VAL 9 0.902 -6.367 11.887
81 HG13 VAL 9 HG13 VAL 9 -0.502 -6.045 12.916
82 HG21 VAL 9 HG21 VAL 9 -0.453 -7.630 9.552
83 HG22 VAL 9 HG22 VAL 9 -0.834 -6.151 8.644
84 HG23 VAL 9 HG23 VAL 9 0.739 -6.313 9.456
85 H VAL 10 H VAL 10 -3.126 -3.921 11.835
86 HA VAL 10 HA VAL 10 -3.288 -4.696 14.624
87 HB VAL 10 HB VAL 10 -4.263 -2.281 13.046
88 HG11 VAL 10 HG11 VAL 10 -4.238 -2.734 16.058
89 HG12 VAL 10 HG12 VAL 10 -4.532 -1.173 15.257
90 HG13 VAL 10 HG13 VAL 10 -5.681 -2.500 15.041
91 HG21 VAL 10 HG21 VAL 10 -1.801 -2.570 13.234
92 HG22 VAL 10 HG22 VAL 10 -2.374 -1.165 14.159
93 HG23 VAL 10 HG23 VAL 10 -1.961 -2.679 15.000
94 H GLY 11 H GLY 11 -5.537 -4.640 11.870
95 HA2 GLY 11 HA2 GLY 11 -7.974 -4.829 13.337
96 HA3 GLY 11 HA3 GLY 11 -7.697 -5.369 11.664
97 H ALA 12 H ALA 12 -5.498 -7.234 12.489
98 HA ALA 12 HA ALA 12 -7.115 -9.552 13.039
99 HB1 ALA 12 HB1 ALA 12 -4.095 -9.167 13.087
100 HB2 ALA 12 HB2 ALA 12 -4.954 -10.720 13.009
101 HB3 ALA 12 HB3 ALA 12 -5.066 -9.575 11.652
102 H LEU 13 H LEU 13 -5.308 -7.276 15.031
103 HA LEU 13 HA LEU 13 -5.315 -8.994 17.387
104 HB2 LEU 13 HB2 LEU 13 -4.763 -6.016 17.154
105 HB3 LEU 13 HB3 LEU 13 -4.333 -7.063 18.505
106 HG LEU 13 HG LEU 13 -3.216 -7.285 15.672
107 HD11 LEU 13 HD11 LEU 13 -1.944 -6.348 18.281
108 HD12 LEU 13 HD12 LEU 13 -1.131 -6.484 16.706
109 HD13 LEU 13 HD13 LEU 13 -2.436 -5.299 16.930
110 HD21 LEU 13 HD21 LEU 13 -3.279 -9.483 16.803
111 HD22 LEU 13 HD22 LEU 13 -1.617 -8.880 16.702
112 HD23 LEU 13 HD23 LEU 13 -2.505 -8.774 18.242
113 H GLY 14 H GLY 14 -7.806 -7.607 15.803
114 HA2 GLY 14 HA2 GLY 14 -9.986 -7.273 16.505
115 HA3 GLY 14 HA3 GLY 14 -9.476 -7.411 18.192
116 HN1 NH2 15 HN1 NH2 15 -7.442 -5.207 16.525
117 HN2 NH2 15 HN2 NH2 15 -8.243 -3.729 17.017
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 3.163 2.865 -1.021
2 H2 GLY 1 H2 GLY 1 1.972 3.912 -1.481
3 H3 GLY 1 H3 GLY 1 1.667 2.296 -1.394
4 HA2 GLY 1 HA2 GLY 1 2.308 4.059 0.865
5 HA3 GLY 1 HA3 GLY 1 0.695 3.427 0.470
6 H LEU 2 H LEU 2 1.256 2.798 2.898
7 HA LEU 2 HA LEU 2 1.828 -0.085 2.844
8 HB2 LEU 2 HB2 LEU 2 4.067 0.906 3.124
9 HB3 LEU 2 HB3 LEU 2 3.463 1.890 4.473
10 HG LEU 2 HG LEU 2 3.025 -0.136 5.805
11 HD11 LEU 2 HD11 LEU 2 4.277 -1.592 3.424
12 HD12 LEU 2 HD12 LEU 2 3.916 -2.320 5.005
13 HD13 LEU 2 HD13 LEU 2 2.588 -1.747 3.981
14 HD21 LEU 2 HD21 LEU 2 5.825 -0.010 4.620
15 HD22 LEU 2 HD22 LEU 2 5.207 0.996 5.948
16 HD23 LEU 2 HD23 LEU 2 5.385 -0.758 6.170
17 H PHE 3 H PHE 3 0.697 2.849 4.531
18 HA PHE 3 HA PHE 3 0.043 1.621 6.940
19 HB2 PHE 3 HB2 PHE 3 -0.875 4.126 5.624
20 HB3 PHE 3 HB3 PHE 3 -1.695 3.542 7.072
21 HD1 PHE 3 HD1 PHE 3 -0.483 3.180 9.169
22 HD2 PHE 3 HD2 PHE 3 1.371 5.054 5.783
23 HE1 PHE 3 HE1 PHE 3 1.303 4.092 10.653
24 HE2 PHE 3 HE2 PHE 3 3.143 5.984 7.258
25 HZ PHE 3 HZ PHE 3 3.101 5.510 9.698
26 H ASP 4 H ASP 4 -1.796 1.372 3.968
27 HA ASP 4 HA ASP 4 -4.202 0.581 5.281
28 HB2 ASP 4 HB2 ASP 4 -3.147 -0.021 2.500
29 HB3 ASP 4 HB3 ASP 4 -4.754 -0.488 3.068
30 H ILE 5 H ILE 5 -1.233 -1.136 4.564
31 HA ILE 5 HA ILE 5 -2.346 -3.770 5.170
32 HB ILE 5 HB ILE 5 0.473 -2.708 4.784
33 HG12 ILE 5 HG12 ILE 5 -1.301 -4.480 3.044
34 HG13 ILE 5 HG13 ILE 5 -1.036 -2.746 2.798
35 HG21 ILE 5 HG21 ILE 5 0.507 -4.644 6.320
36 HG22 ILE 5 HG22 ILE 5 -0.457 -5.590 5.161
37 HG23 ILE 5 HG23 ILE 5 1.193 -5.078 4.749
38 HD11 ILE 5 HD11 ILE 5 0.411 -3.990 1.295
39 HD12 ILE 5 HD12 ILE 5 1.406 -3.163 2.513
40 HD13 ILE 5 HD13 ILE 5 1.096 -4.910 2.648
41 H VAL 6 H VAL 6 -0.551 -1.180 6.872
42 HA VAL 6 HA VAL 6 0.022 -2.691 9.224
43 HB VAL 6 HB VAL 6 -0.398 0.297 8.833
44 HG11 VAL 6 HG11 VAL 6 0.948 0.537 10.899
45 HG12 VAL 6 HG12 VAL 6 -0.580 -0.302 11.217
46 HG13 VAL 6 HG13 VAL 6 0.929 -1.232 11.111
47 HG21 VAL 6 HG21 VAL 6 2.077 0.359 8.745
48 HG22 VAL 6 HG22 VAL 6 2.130 -1.411 8.889
49 HG23 VAL 6 HG23 VAL 6 1.423 -0.661 7.442
50 H LYS 7 H LYS 7 -2.816 -0.690 8.276
51 HA LYS 7 HA LYS 7 -4.157 -0.999 10.795
52 HB2 LYS 7 HB2 LYS 7 -5.190 -0.388 7.994
53 HB3 LYS 7 HB3 LYS 7 -6.178 -0.305 9.458
54 HG2 LYS 7 HG2 LYS 7 -3.665 1.340 8.921
55 HG3 LYS 7 HG3 LYS 7 -5.320 1.918 8.746
56 HD2 LYS 7 HD2 LYS 7 -3.997 1.023 11.344
57 HD3 LYS 7 HD3 LYS 7 -4.361 2.684 10.850
58 HE2 LYS 7 HE2 LYS 7 -6.789 2.117 10.788
59 HE3 LYS 7 HE3 LYS 7 -6.410 0.483 11.336
60 HZ1 LYS 7 HZ1 LYS 7 -7.047 1.888 13.162
61 HZ2 LYS 7 HZ2 LYS 7 -5.479 1.446 13.342
62 HZ3 LYS 7 HZ3 LYS 7 -5.852 2.962 12.825
63 H LYS 8 H LYS 8 -3.885 -3.069 7.940
64 HA LYS 8 HA LYS 8 -6.119 -4.772 8.672
65 HB2 LYS 8 HB2 LYS 8 -5.323 -4.540 6.358
66 HB3 LYS 8 HB3 LYS 8 -3.739 -5.181 6.813
67 HG2 LYS 8 HG2 LYS 8 -4.748 -7.335 7.441
68 HG3 LYS 8 HG3 LYS 8 -6.364 -6.714 7.047
69 HD2 LYS 8 HD2 LYS 8 -4.034 -7.029 5.108
70 HD3 LYS 8 HD3 LYS 8 -5.424 -8.117 5.236
71 HE2 LYS 8 HE2 LYS 8 -5.548 -5.170 4.463
72 HE3 LYS 8 HE3 LYS 8 -5.644 -6.534 3.343
73 HZ1 LYS 8 HZ1 LYS 8 -7.639 -7.243 4.461
74 HZ2 LYS 8 HZ2 LYS 8 -7.569 -5.967 5.502
75 HZ3 LYS 8 HZ3 LYS 8 -7.803 -5.714 3.894
76 H VAL 9 H VAL 9 -2.640 -4.699 9.400
77 HA VAL 9 HA VAL 9 -2.566 -7.350 10.579
78 HB VAL 9 HB VAL 9 -0.765 -4.895 10.709
79 HG11 VAL 9 HG11 VAL 9 -0.313 -7.651 11.923
80 HG12 VAL 9 HG12 VAL 9 0.922 -6.380 11.769
81 HG13 VAL 9 HG13 VAL 9 -0.474 -6.122 12.822
82 HG21 VAL 9 HG21 VAL 9 -0.862 -6.127 8.560
83 HG22 VAL 9 HG22 VAL 9 0.721 -6.303 9.348
84 HG23 VAL 9 HG23 VAL 9 -0.459 -7.635 9.408
85 H VAL 10 H VAL 10 -3.108 -3.995 11.777
86 HA VAL 10 HA VAL 10 -3.233 -4.773 14.565
87 HB VAL 10 HB VAL 10 -4.193 -2.345 12.991
88 HG11 VAL 10 HG11 VAL 10 -4.157 -2.787 16.002
89 HG12 VAL 10 HG12 VAL 10 -4.424 -1.223 15.189
90 HG13 VAL 10 HG13 VAL 10 -5.602 -2.531 14.992
91 HG21 VAL 10 HG21 VAL 10 -2.266 -1.265 14.084
92 HG22 VAL 10 HG22 VAL 10 -1.885 -2.781 14.934
93 HG23 VAL 10 HG23 VAL 10 -1.736 -2.681 13.160
94 H GLY 11 H GLY 11 -5.524 -4.692 11.850
95 HA2 GLY 11 HA2 GLY 11 -7.940 -4.838 13.342
96 HA3 GLY 11 HA3 GLY 11 -7.686 -5.415 11.678
97 H ALA 12 H ALA 12 -5.519 -7.311 12.510
98 HA ALA 12 HA ALA 12 -7.158 -9.587 13.147
99 HB1 ALA 12 HB1 ALA 12 -5.102 -9.676 11.746
100 HB2 ALA 12 HB2 ALA 12 -4.130 -9.231 13.169
101 HB3 ALA 12 HB3 ALA 12 -4.997 -10.780 13.140
102 H LEU 13 H LEU 13 -5.277 -7.282 15.035
103 HA LEU 13 HA LEU 13 -5.319 -8.909 17.461
104 HB2 LEU 13 HB2 LEU 13 -4.631 -5.974 17.089
105 HB3 LEU 13 HB3 LEU 13 -4.219 -6.995 18.482
106 HG LEU 13 HG LEU 13 -3.182 -7.364 15.635
107 HD11 LEU 13 HD11 LEU 13 -1.829 -6.349 18.168
108 HD12 LEU 13 HD12 LEU 13 -1.040 -6.609 16.593
109 HD13 LEU 13 HD13 LEU 13 -2.288 -5.358 16.762
110 HD21 LEU 13 HD21 LEU 13 -3.300 -9.508 16.832
111 HD22 LEU 13 HD22 LEU 13 -1.615 -8.973 16.696
112 HD23 LEU 13 HD23 LEU 13 -2.476 -8.784 18.239
113 H GLY 14 H GLY 14 -7.774 -7.468 15.851
114 HA2 GLY 14 HA2 GLY 14 -9.916 -6.992 16.572
115 HA3 GLY 14 HA3 GLY 14 -9.376 -7.103 18.260
116 HN1 NH2 15 HN1 NH2 15 -7.273 -5.069 16.507
117 HN2 NH2 15 HN2 NH2 15 -7.977 -3.531 16.957
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 2.237 3.978 -1.355
2 H2 GLY 1 H2 GLY 1 2.064 2.341 -1.326
3 H3 GLY 1 H3 GLY 1 3.437 3.030 -0.738
4 HA2 GLY 1 HA2 GLY 1 2.229 4.095 1.029
5 HA3 GLY 1 HA3 GLY 1 0.748 3.337 0.401
6 H LEU 2 H LEU 2 1.276 2.818 2.963
7 HA LEU 2 HA LEU 2 1.846 -0.063 2.928
8 HB2 LEU 2 HB2 LEU 2 4.077 0.940 3.231
9 HB3 LEU 2 HB3 LEU 2 3.455 1.922 4.573
10 HG LEU 2 HG LEU 2 3.018 -0.110 5.898
11 HD11 LEU 2 HD11 LEU 2 3.932 -2.286 5.121
12 HD12 LEU 2 HD12 LEU 2 2.613 -1.731 4.071
13 HD13 LEU 2 HD13 LEU 2 4.299 -1.553 3.538
14 HD21 LEU 2 HD21 LEU 2 5.831 0.041 4.731
15 HD22 LEU 2 HD22 LEU 2 5.198 1.037 6.066
16 HD23 LEU 2 HD23 LEU 2 5.384 -0.719 6.274
17 H PHE 3 H PHE 3 0.682 2.859 4.592
18 HA PHE 3 HA PHE 3 -0.002 1.647 7.010
19 HB2 PHE 3 HB2 PHE 3 -0.922 4.119 5.640
20 HB3 PHE 3 HB3 PHE 3 -1.759 3.548 7.089
21 HD1 PHE 3 HD1 PHE 3 -0.580 3.236 9.211
22 HD2 PHE 3 HD2 PHE 3 1.328 5.067 5.827
23 HE1 PHE 3 HE1 PHE 3 1.169 4.187 10.712
24 HE2 PHE 3 HE2 PHE 3 3.077 6.008 7.321
25 HZ PHE 3 HZ PHE 3 2.993 5.581 9.757
26 H ASP 4 H ASP 4 -1.793 1.371 4.014
27 HA ASP 4 HA ASP 4 -4.210 0.563 5.300
28 HB2 ASP 4 HB2 ASP 4 -3.132 0.024 2.518
29 HB3 ASP 4 HB3 ASP 4 -4.736 -0.487 3.052
30 H ILE 5 H ILE 5 -1.236 -1.123 4.586
31 HA ILE 5 HA ILE 5 -2.324 -3.774 5.150
32 HB ILE 5 HB ILE 5 0.493 -2.681 4.823
33 HG12 ILE 5 HG12 ILE 5 -1.281 -4.385 3.020
34 HG13 ILE 5 HG13 ILE 5 -0.960 -2.654 2.809
35 HG21 ILE 5 HG21 ILE 5 -0.435 -5.570 5.110
36 HG22 ILE 5 HG22 ILE 5 1.226 -5.048 4.753
37 HG23 ILE 5 HG23 ILE 5 0.505 -4.653 6.314
38 HD11 ILE 5 HD11 ILE 5 1.103 -4.880 2.637
39 HD12 ILE 5 HD12 ILE 5 0.457 -3.905 1.301
40 HD13 ILE 5 HD13 ILE 5 1.461 -3.133 2.540
41 H VAL 6 H VAL 6 -0.555 -1.188 6.902
42 HA VAL 6 HA VAL 6 -0.001 -2.722 9.237
43 HB VAL 6 HB VAL 6 -0.444 0.272 8.890
44 HG11 VAL 6 HG11 VAL 6 -0.628 -0.384 11.262
45 HG12 VAL 6 HG12 VAL 6 0.898 -1.292 11.134
46 HG13 VAL 6 HG13 VAL 6 0.896 0.477 10.970
47 HG21 VAL 6 HG21 VAL 6 2.109 -1.400 8.942
48 HG22 VAL 6 HG22 VAL 6 1.387 -0.655 7.494
49 HG23 VAL 6 HG23 VAL 6 2.023 0.365 8.805
50 H LYS 7 H LYS 7 -2.832 -0.720 8.271
51 HA LYS 7 HA LYS 7 -4.209 -1.058 10.772
52 HB2 LYS 7 HB2 LYS 7 -5.194 -0.402 7.969
53 HB3 LYS 7 HB3 LYS 7 -6.217 -0.361 9.404
54 HG2 LYS 7 HG2 LYS 7 -3.712 1.330 8.974
55 HG3 LYS 7 HG3 LYS 7 -5.377 1.887 8.788
56 HD2 LYS 7 HD2 LYS 7 -4.056 0.925 11.359
57 HD3 LYS 7 HD3 LYS 7 -4.450 2.594 10.941
58 HE2 LYS 7 HE2 LYS 7 -6.483 0.355 11.326
59 HE3 LYS 7 HE3 LYS 7 -6.094 1.623 12.499
60 HZ1 LYS 7 HZ1 LYS 7 -7.229 2.075 9.819
61 HZ2 LYS 7 HZ2 LYS 7 -8.049 2.161 11.237
62 HZ3 LYS 7 HZ3 LYS 7 -6.867 3.249 10.909
63 H LYS 8 H LYS 8 -3.907 -3.094 7.892
64 HA LYS 8 HA LYS 8 -6.131 -4.815 8.595
65 HB2 LYS 8 HB2 LYS 8 -5.325 -4.571 6.299
66 HB3 LYS 8 HB3 LYS 8 -3.735 -5.212 6.762
67 HG2 LYS 8 HG2 LYS 8 -4.757 -7.369 7.385
68 HG3 LYS 8 HG3 LYS 8 -6.359 -6.749 6.937
69 HD2 LYS 8 HD2 LYS 8 -3.970 -7.052 5.073
70 HD3 LYS 8 HD3 LYS 8 -5.341 -8.159 5.149
71 HE2 LYS 8 HE2 LYS 8 -5.487 -5.211 4.384
72 HE3 LYS 8 HE3 LYS 8 -5.528 -6.577 3.263
73 HZ1 LYS 8 HZ1 LYS 8 -7.523 -6.035 5.363
74 HZ2 LYS 8 HZ2 LYS 8 -7.725 -5.781 3.757
75 HZ3 LYS 8 HZ3 LYS 8 -7.554 -7.311 4.330
76 H VAL 9 H VAL 9 -2.654 -4.723 9.376
77 HA VAL 9 HA VAL 9 -2.622 -7.389 10.543
78 HB VAL 9 HB VAL 9 -0.772 -4.977 10.675
79 HG11 VAL 9 HG11 VAL 9 -0.356 -7.759 11.837
80 HG12 VAL 9 HG12 VAL 9 0.903 -6.511 11.676
81 HG13 VAL 9 HG13 VAL 9 -0.475 -6.237 12.756
82 HG21 VAL 9 HG21 VAL 9 0.673 -6.398 9.262
83 HG22 VAL 9 HG22 VAL 9 -0.523 -7.711 9.334
84 HG23 VAL 9 HG23 VAL 9 -0.913 -6.184 8.500
85 H VAL 10 H VAL 10 -3.073 -4.027 11.731
86 HA VAL 10 HA VAL 10 -3.198 -4.767 14.522
87 HB VAL 10 HB VAL 10 -4.159 -2.358 12.917
88 HG11 VAL 10 HG11 VAL 10 -4.160 -2.760 15.937
89 HG12 VAL 10 HG12 VAL 10 -4.408 -1.204 15.105
90 HG13 VAL 10 HG13 VAL 10 -5.581 -2.521 14.909
91 HG21 VAL 10 HG21 VAL 10 -2.243 -1.251 14.012
92 HG22 VAL 10 HG22 VAL 10 -1.858 -2.750 14.890
93 HG23 VAL 10 HG23 VAL 10 -1.693 -2.687 13.122
94 H GLY 11 H GLY 11 -5.492 -4.737 11.814
95 HA2 GLY 11 HA2 GLY 11 -7.912 -4.820 13.308
96 HA3 GLY 11 HA3 GLY 11 -7.666 -5.423 11.656
97 H ALA 12 H ALA 12 -5.511 -7.319 12.520
98 HA ALA 12 HA ALA 12 -7.179 -9.571 13.191
99 HB1 ALA 12 HB1 ALA 12 -4.144 -9.252 13.165
100 HB2 ALA 12 HB2 ALA 12 -5.029 -10.789 13.197
101 HB3 ALA 12 HB3 ALA 12 -5.155 -9.731 11.778
102 H LEU 13 H LEU 13 -5.261 -7.260 15.021
103 HA LEU 13 HA LEU 13 -5.295 -8.852 17.468
104 HB2 LEU 13 HB2 LEU 13 -4.565 -5.930 17.061
105 HB3 LEU 13 HB3 LEU 13 -4.155 -6.940 18.450
106 HG LEU 13 HG LEU 13 -3.149 -7.343 15.595
107 HD11 LEU 13 HD11 LEU 13 -0.986 -6.635 16.545
108 HD12 LEU 13 HD12 LEU 13 -2.211 -5.359 16.738
109 HD13 LEU 13 HD13 LEU 13 -1.754 -6.378 18.125
110 HD21 LEU 13 HD21 LEU 13 -3.325 -9.484 16.813
111 HD22 LEU 13 HD22 LEU 13 -1.627 -9.003 16.638
112 HD23 LEU 13 HD23 LEU 13 -2.460 -8.768 18.199
113 H GLY 14 H GLY 14 -7.735 -7.411 15.866
114 HA2 GLY 14 HA2 GLY 14 -9.882 -6.950 16.599
115 HA3 GLY 14 HA3 GLY 14 -9.326 -7.017 18.285
116 HN1 NH2 15 HN1 NH2 15 -7.248 -5.004 16.461
117 HN2 NH2 15 HN2 NH2 15 -7.971 -3.466 16.871
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 2.526 4.815 -0.773
2 H2 GLY 1 H2 GLY 1 2.216 3.208 -0.951
3 H3 GLY 1 H3 GLY 1 3.670 3.709 -0.356
4 HA2 GLY 1 HA2 GLY 1 2.640 4.596 1.601
5 HA3 GLY 1 HA3 GLY 1 1.068 4.073 0.958
6 H LEU 2 H LEU 2 1.498 3.106 3.347
7 HA LEU 2 HA LEU 2 1.939 0.239 2.902
8 HB2 LEU 2 HB2 LEU 2 4.220 1.062 3.372
9 HB3 LEU 2 HB3 LEU 2 3.627 1.871 4.834
10 HG LEU 2 HG LEU 2 3.062 -0.314 5.844
11 HD11 LEU 2 HD11 LEU 2 3.858 -2.396 4.741
12 HD12 LEU 2 HD12 LEU 2 2.584 -1.601 3.797
13 HD13 LEU 2 HD13 LEU 2 4.287 -1.456 3.292
14 HD21 LEU 2 HD21 LEU 2 5.886 -0.147 4.724
15 HD22 LEU 2 HD22 LEU 2 5.293 0.679 6.186
16 HD23 LEU 2 HD23 LEU 2 5.387 -1.097 6.140
17 H PHE 3 H PHE 3 0.940 2.952 4.992
18 HA PHE 3 HA PHE 3 0.149 1.409 7.171
19 HB2 PHE 3 HB2 PHE 3 -0.578 4.146 6.263
20 HB3 PHE 3 HB3 PHE 3 -1.476 3.397 7.576
21 HD1 PHE 3 HD1 PHE 3 -0.361 2.607 9.608
22 HD2 PHE 3 HD2 PHE 3 1.716 4.892 6.626
23 HE1 PHE 3 HE1 PHE 3 1.421 3.152 11.269
24 HE2 PHE 3 HE2 PHE 3 3.494 5.438 8.275
25 HZ PHE 3 HZ PHE 3 3.336 4.569 10.601
26 H ASP 4 H ASP 4 -1.633 1.756 4.182
27 HA ASP 4 HA ASP 4 -4.113 0.918 5.289
28 HB2 ASP 4 HB2 ASP 4 -2.977 0.660 2.484
29 HB3 ASP 4 HB3 ASP 4 -4.631 0.192 2.921
30 H ILE 5 H ILE 5 -1.228 -0.874 4.439
31 HA ILE 5 HA ILE 5 -2.503 -3.488 4.690
32 HB ILE 5 HB ILE 5 0.386 -2.551 4.531
33 HG12 ILE 5 HG12 ILE 5 -1.428 -3.946 2.519
34 HG13 ILE 5 HG13 ILE 5 -1.030 -2.221 2.503
35 HG21 ILE 5 HG21 ILE 5 -0.730 -5.382 4.468
36 HG22 ILE 5 HG22 ILE 5 0.975 -4.926 4.199
37 HG23 ILE 5 HG23 ILE 5 0.237 -4.672 5.783
38 HD11 ILE 5 HD11 ILE 5 0.395 -3.365 0.906
39 HD12 ILE 5 HD12 ILE 5 1.385 -2.787 2.259
40 HD13 ILE 5 HD13 ILE 5 0.946 -4.513 2.138
41 H VAL 6 H VAL 6 -0.633 -1.227 6.731
42 HA VAL 6 HA VAL 6 -0.189 -3.007 8.916
43 HB VAL 6 HB VAL 6 -0.531 0.017 8.906
44 HG11 VAL 6 HG11 VAL 6 -0.711 -0.901 11.173
45 HG12 VAL 6 HG12 VAL 6 0.765 -1.865 10.918
46 HG13 VAL 6 HG13 VAL 6 0.853 -0.087 10.967
47 HG21 VAL 6 HG21 VAL 6 1.952 -1.737 8.696
48 HG22 VAL 6 HG22 VAL 6 1.264 -0.760 7.379
49 HG23 VAL 6 HG23 VAL 6 1.944 0.040 8.811
50 H LYS 7 H LYS 7 -3.001 -0.988 8.014
51 HA LYS 7 HA LYS 7 -4.404 -1.306 10.482
52 HB2 LYS 7 HB2 LYS 7 -5.037 -0.413 7.705
53 HB3 LYS 7 HB3 LYS 7 -6.396 -1.032 8.655
54 HG2 LYS 7 HG2 LYS 7 -6.265 1.341 9.014
55 HG3 LYS 7 HG3 LYS 7 -5.814 0.504 10.511
56 HD2 LYS 7 HD2 LYS 7 -3.407 0.884 9.979
57 HD3 LYS 7 HD3 LYS 7 -3.893 1.714 8.482
58 HE2 LYS 7 HE2 LYS 7 -3.399 3.361 10.216
59 HE3 LYS 7 HE3 LYS 7 -5.113 3.404 9.787
60 HZ1 LYS 7 HZ1 LYS 7 -5.564 2.099 11.766
61 HZ2 LYS 7 HZ2 LYS 7 -3.966 2.048 12.146
62 HZ3 LYS 7 HZ3 LYS 7 -4.773 3.479 12.160
63 H LYS 8 H LYS 8 -3.938 -3.495 7.756
64 HA LYS 8 HA LYS 8 -6.121 -5.262 8.509
65 HB2 LYS 8 HB2 LYS 8 -3.630 -5.913 6.893
66 HB3 LYS 8 HB3 LYS 8 -5.170 -6.781 6.880
67 HG2 LYS 8 HG2 LYS 8 -4.676 -3.955 5.867
68 HG3 LYS 8 HG3 LYS 8 -4.943 -5.397 4.881
69 HD2 LYS 8 HD2 LYS 8 -7.230 -5.624 5.869
70 HD3 LYS 8 HD3 LYS 8 -6.957 -4.152 6.814
71 HE2 LYS 8 HE2 LYS 8 -8.228 -3.611 4.809
72 HE3 LYS 8 HE3 LYS 8 -6.622 -2.867 4.727
73 HZ1 LYS 8 HZ1 LYS 8 -7.439 -5.355 3.371
74 HZ2 LYS 8 HZ2 LYS 8 -7.226 -3.893 2.657
75 HZ3 LYS 8 HZ3 LYS 8 -5.941 -4.685 3.298
76 H VAL 9 H VAL 9 -2.711 -4.862 9.393
77 HA VAL 9 HA VAL 9 -2.485 -7.458 10.699
78 HB VAL 9 HB VAL 9 -0.792 -4.928 10.818
79 HG11 VAL 9 HG11 VAL 9 -0.218 -7.743 11.830
80 HG12 VAL 9 HG12 VAL 9 0.960 -6.410 11.753
81 HG13 VAL 9 HG13 VAL 9 -0.446 -6.288 12.828
82 HG21 VAL 9 HG21 VAL 9 -0.449 -7.549 9.300
83 HG22 VAL 9 HG22 VAL 9 -0.870 -5.975 8.583
84 HG23 VAL 9 HG23 VAL 9 0.719 -6.214 9.335
85 H VAL 10 H VAL 10 -3.074 -4.063 11.734
86 HA VAL 10 HA VAL 10 -3.246 -4.694 14.539
87 HB VAL 10 HB VAL 10 -4.291 -2.367 12.869
88 HG11 VAL 10 HG11 VAL 10 -4.068 -2.662 15.890
89 HG12 VAL 10 HG12 VAL 10 -4.431 -1.146 15.027
90 HG13 VAL 10 HG13 VAL 10 -5.576 -2.496 14.959
91 HG21 VAL 10 HG21 VAL 10 -1.816 -2.626 12.906
92 HG22 VAL 10 HG22 VAL 10 -2.335 -1.187 13.815
93 HG23 VAL 10 HG23 VAL 10 -1.854 -2.657 14.682
94 H GLY 11 H GLY 11 -5.528 -4.806 11.817
95 HA2 GLY 11 HA2 GLY 11 -7.948 -4.854 13.301
96 HA3 GLY 11 HA3 GLY 11 -7.686 -5.552 11.690
97 H ALA 12 H ALA 12 -5.506 -7.359 12.652
98 HA ALA 12 HA ALA 12 -7.138 -9.603 13.440
99 HB1 ALA 12 HB1 ALA 12 -4.109 -9.250 13.399
100 HB2 ALA 12 HB2 ALA 12 -4.982 -10.791 13.502
101 HB3 ALA 12 HB3 ALA 12 -5.114 -9.794 12.032
102 H LEU 13 H LEU 13 -5.235 -7.192 15.163
103 HA LEU 13 HA LEU 13 -5.237 -8.663 17.683
104 HB2 LEU 13 HB2 LEU 13 -4.594 -5.742 17.135
105 HB3 LEU 13 HB3 LEU 13 -4.152 -6.673 18.571
106 HG LEU 13 HG LEU 13 -3.132 -7.195 15.745
107 HD11 LEU 13 HD11 LEU 13 -1.770 -6.032 18.209
108 HD12 LEU 13 HD12 LEU 13 -1.000 -6.365 16.637
109 HD13 LEU 13 HD13 LEU 13 -2.266 -5.123 16.762
110 HD21 LEU 13 HD21 LEU 13 -3.242 -9.270 17.072
111 HD22 LEU 13 HD22 LEU 13 -1.557 -8.739 16.875
112 HD23 LEU 13 HD23 LEU 13 -2.397 -8.468 18.417
113 H GLY 14 H GLY 14 -7.724 -7.360 16.019
114 HA2 GLY 14 HA2 GLY 14 -9.872 -6.901 16.724
115 HA3 GLY 14 HA3 GLY 14 -9.328 -6.886 18.417
116 HN1 NH2 15 HN1 NH2 15 -7.279 -4.922 16.519
117 HN2 NH2 15 HN2 NH2 15 -8.026 -3.377 16.858
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 2.781 3.446 -0.991
2 H2 GLY 1 H2 GLY 1 1.527 4.468 -1.318
3 H3 GLY 1 H3 GLY 1 1.285 2.841 -1.322
4 HA2 GLY 1 HA2 GLY 1 1.987 4.471 1.019
5 HA3 GLY 1 HA3 GLY 1 0.380 3.808 0.666
6 H LEU 2 H LEU 2 1.225 3.091 3.036
7 HA LEU 2 HA LEU 2 1.851 0.225 2.736
8 HB2 LEU 2 HB2 LEU 2 3.923 1.897 3.166
9 HB3 LEU 2 HB3 LEU 2 3.372 1.757 4.831
10 HG LEU 2 HG LEU 2 5.162 0.198 4.386
11 HD11 LEU 2 HD11 LEU 2 2.610 -1.449 4.467
12 HD12 LEU 2 HD12 LEU 2 4.211 -1.887 5.094
13 HD13 LEU 2 HD13 LEU 2 3.288 -0.583 5.868
14 HD21 LEU 2 HD21 LEU 2 4.852 0.023 1.937
15 HD22 LEU 2 HD22 LEU 2 5.039 -1.563 2.713
16 HD23 LEU 2 HD23 LEU 2 3.432 -1.017 2.200
17 H PHE 3 H PHE 3 0.646 2.973 4.663
18 HA PHE 3 HA PHE 3 0.045 1.549 6.979
19 HB2 PHE 3 HB2 PHE 3 -0.974 4.105 5.848
20 HB3 PHE 3 HB3 PHE 3 -1.787 3.382 7.235
21 HD1 PHE 3 HD1 PHE 3 -0.465 2.745 9.268
22 HD2 PHE 3 HD2 PHE 3 1.083 5.309 6.193
23 HE1 PHE 3 HE1 PHE 3 1.228 3.624 10.863
24 HE2 PHE 3 HE2 PHE 3 2.794 6.178 7.777
25 HZ PHE 3 HZ PHE 3 2.859 5.343 10.108
26 H ASP 4 H ASP 4 -1.808 1.430 4.001
27 HA ASP 4 HA ASP 4 -4.173 0.474 5.228
28 HB2 ASP 4 HB2 ASP 4 -3.048 0.032 2.449
29 HB3 ASP 4 HB3 ASP 4 -4.639 -0.539 2.968
30 H ILE 5 H ILE 5 -1.135 -1.124 4.554
31 HA ILE 5 HA ILE 5 -2.171 -3.814 5.029
32 HB ILE 5 HB ILE 5 0.613 -2.613 4.835
33 HG12 ILE 5 HG12 ILE 5 -0.935 -4.381 2.888
34 HG13 ILE 5 HG13 ILE 5 -0.795 -2.620 2.754
35 HG21 ILE 5 HG21 ILE 5 -0.199 -5.541 5.027
36 HG22 ILE 5 HG22 ILE 5 1.444 -4.939 4.696
37 HG23 ILE 5 HG23 ILE 5 0.679 -4.606 6.255
38 HD11 ILE 5 HD11 ILE 5 0.840 -3.663 1.290
39 HD12 ILE 5 HD12 ILE 5 1.681 -2.834 2.610
40 HD13 ILE 5 HD13 ILE 5 1.510 -4.608 2.636
41 H VAL 6 H VAL 6 -0.564 -1.203 6.872
42 HA VAL 6 HA VAL 6 0.024 -2.798 9.177
43 HB VAL 6 HB VAL 6 -0.412 0.199 8.928
44 HG11 VAL 6 HG11 VAL 6 1.031 -1.452 11.040
45 HG12 VAL 6 HG12 VAL 6 1.020 0.321 10.941
46 HG13 VAL 6 HG13 VAL 6 -0.486 -0.557 11.273
47 HG21 VAL 6 HG21 VAL 6 1.347 -0.621 7.397
48 HG22 VAL 6 HG22 VAL 6 2.056 0.300 8.734
49 HG23 VAL 6 HG23 VAL 6 2.129 -1.476 8.746
50 H LYS 7 H LYS 7 -2.803 -0.727 8.306
51 HA LYS 7 HA LYS 7 -4.108 -1.116 10.844
52 HB2 LYS 7 HB2 LYS 7 -5.244 -0.394 8.118
53 HB3 LYS 7 HB3 LYS 7 -6.118 -0.284 9.652
54 HG2 LYS 7 HG2 LYS 7 -3.620 1.291 8.883
55 HG3 LYS 7 HG3 LYS 7 -5.274 1.911 8.967
56 HD2 LYS 7 HD2 LYS 7 -5.301 1.350 11.428
57 HD3 LYS 7 HD3 LYS 7 -3.598 0.872 11.300
58 HE2 LYS 7 HE2 LYS 7 -3.757 3.158 12.134
59 HE3 LYS 7 HE3 LYS 7 -2.992 3.129 10.541
60 HZ1 LYS 7 HZ1 LYS 7 -5.810 3.787 11.071
61 HZ2 LYS 7 HZ2 LYS 7 -4.621 4.870 10.724
62 HZ3 LYS 7 HZ3 LYS 7 -5.100 3.781 9.591
63 H LYS 8 H LYS 8 -3.892 -3.082 7.924
64 HA LYS 8 HA LYS 8 -6.150 -4.768 8.599
65 HB2 LYS 8 HB2 LYS 8 -5.322 -4.512 6.302
66 HB3 LYS 8 HB3 LYS 8 -3.752 -5.191 6.769
67 HG2 LYS 8 HG2 LYS 8 -4.815 -7.337 7.350
68 HG3 LYS 8 HG3 LYS 8 -6.406 -6.676 6.926
69 HD2 LYS 8 HD2 LYS 8 -4.045 -6.992 5.029
70 HD3 LYS 8 HD3 LYS 8 -5.446 -8.074 5.115
71 HE2 LYS 8 HE2 LYS 8 -6.938 -6.161 4.543
72 HE3 LYS 8 HE3 LYS 8 -5.511 -5.112 4.397
73 HZ1 LYS 8 HZ1 LYS 8 -4.721 -6.532 2.640
74 HZ2 LYS 8 HZ2 LYS 8 -6.041 -7.503 2.769
75 HZ3 LYS 8 HZ3 LYS 8 -6.208 -5.947 2.270
76 H VAL 9 H VAL 9 -2.680 -4.739 9.401
77 HA VAL 9 HA VAL 9 -2.694 -7.421 10.554
78 HB VAL 9 HB VAL 9 -0.805 -5.035 10.683
79 HG11 VAL 9 HG11 VAL 9 -0.432 -7.822 11.860
80 HG12 VAL 9 HG12 VAL 9 0.839 -6.591 11.705
81 HG13 VAL 9 HG13 VAL 9 -0.544 -6.296 12.772
82 HG21 VAL 9 HG21 VAL 9 -0.591 -7.778 9.359
83 HG22 VAL 9 HG22 VAL 9 -0.966 -6.264 8.511
84 HG23 VAL 9 HG23 VAL 9 0.620 -6.471 9.280
85 H VAL 10 H VAL 10 -3.094 -4.052 11.744
86 HA VAL 10 HA VAL 10 -3.221 -4.785 14.532
87 HB VAL 10 HB VAL 10 -4.189 -2.374 12.939
88 HG11 VAL 10 HG11 VAL 10 -4.106 -2.788 15.954
89 HG12 VAL 10 HG12 VAL 10 -4.378 -1.229 15.144
90 HG13 VAL 10 HG13 VAL 10 -5.564 -2.528 14.959
91 HG21 VAL 10 HG21 VAL 10 -1.855 -2.776 14.861
92 HG22 VAL 10 HG22 VAL 10 -1.717 -2.723 13.089
93 HG23 VAL 10 HG23 VAL 10 -2.247 -1.283 13.989
94 H GLY 11 H GLY 11 -5.536 -4.737 11.841
95 HA2 GLY 11 HA2 GLY 11 -7.945 -4.819 13.353
96 HA3 GLY 11 HA3 GLY 11 -7.712 -5.433 11.698
97 H ALA 12 H ALA 12 -5.557 -7.333 12.549
98 HA ALA 12 HA ALA 12 -7.230 -9.574 13.233
99 HB1 ALA 12 HB1 ALA 12 -5.101 -10.809 13.218
100 HB2 ALA 12 HB2 ALA 12 -5.209 -9.741 11.804
101 HB3 ALA 12 HB3 ALA 12 -4.197 -9.282 13.195
102 H LEU 13 H LEU 13 -5.298 -7.266 15.066
103 HA LEU 13 HA LEU 13 -5.312 -8.865 17.511
104 HB2 LEU 13 HB2 LEU 13 -4.609 -5.938 17.093
105 HB3 LEU 13 HB3 LEU 13 -4.189 -6.948 18.489
106 HG LEU 13 HG LEU 13 -3.201 -7.364 15.630
107 HD11 LEU 13 HD11 LEU 13 -1.788 -6.338 18.127
108 HD12 LEU 13 HD12 LEU 13 -1.038 -6.624 16.535
109 HD13 LEU 13 HD13 LEU 13 -2.263 -5.351 16.727
110 HD21 LEU 13 HD21 LEU 13 -1.631 -8.975 16.686
111 HD22 LEU 13 HD22 LEU 13 -2.460 -8.754 18.243
112 HD23 LEU 13 HD23 LEU 13 -3.321 -9.489 16.866
113 H GLY 14 H GLY 14 -7.781 -7.432 15.918
114 HA2 GLY 14 HA2 GLY 14 -9.915 -6.938 16.658
115 HA3 GLY 14 HA3 GLY 14 -9.355 -7.039 18.342
116 HN1 NH2 15 HN1 NH2 15 -7.259 -5.034 16.546
117 HN2 NH2 15 HN2 NH2 15 -7.952 -3.489 16.986
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 1.728 4.457 -1.291
2 H2 GLY 1 H2 GLY 1 1.428 2.836 -1.330
3 H3 GLY 1 H3 GLY 1 2.943 3.385 -0.990
4 HA2 GLY 1 HA2 GLY 1 2.195 4.390 1.040
5 HA3 GLY 1 HA3 GLY 1 0.557 3.802 0.676
6 H LEU 2 H LEU 2 1.373 2.996 3.033
7 HA LEU 2 HA LEU 2 1.859 0.114 2.676
8 HB2 LEU 2 HB2 LEU 2 4.033 1.643 3.068
9 HB3 LEU 2 HB3 LEU 2 3.506 1.563 4.745
10 HG LEU 2 HG LEU 2 5.193 -0.122 4.284
11 HD11 LEU 2 HD11 LEU 2 4.123 -2.129 5.047
12 HD12 LEU 2 HD12 LEU 2 3.313 -0.750 5.822
13 HD13 LEU 2 HD13 LEU 2 2.542 -1.593 4.448
14 HD21 LEU 2 HD21 LEU 2 4.819 -0.317 1.847
15 HD22 LEU 2 HD22 LEU 2 4.903 -1.898 2.650
16 HD23 LEU 2 HD23 LEU 2 3.330 -1.244 2.160
17 H PHE 3 H PHE 3 0.915 2.904 4.703
18 HA PHE 3 HA PHE 3 0.266 1.465 6.992
19 HB2 PHE 3 HB2 PHE 3 -0.602 4.118 5.952
20 HB3 PHE 3 HB3 PHE 3 -1.408 3.416 7.355
21 HD1 PHE 3 HD1 PHE 3 0.032 2.562 9.283
22 HD2 PHE 3 HD2 PHE 3 1.467 5.261 6.264
23 HE1 PHE 3 HE1 PHE 3 1.871 3.280 10.802
24 HE2 PHE 3 HE2 PHE 3 3.302 5.975 7.771
25 HZ PHE 3 HZ PHE 3 3.502 4.986 10.044
26 H ASP 4 H ASP 4 -1.671 1.563 4.068
27 HA ASP 4 HA ASP 4 -4.063 0.756 5.369
28 HB2 ASP 4 HB2 ASP 4 -3.108 0.368 2.519
29 HB3 ASP 4 HB3 ASP 4 -4.712 -0.098 3.090
30 H ILE 5 H ILE 5 -1.188 -1.031 4.527
31 HA ILE 5 HA ILE 5 -2.421 -3.650 4.896
32 HB ILE 5 HB ILE 5 0.453 -2.662 4.737
33 HG12 ILE 5 HG12 ILE 5 -1.275 -4.181 2.739
34 HG13 ILE 5 HG13 ILE 5 -0.920 -2.448 2.670
35 HG21 ILE 5 HG21 ILE 5 0.338 -4.718 6.085
36 HG22 ILE 5 HG22 ILE 5 -0.583 -5.519 4.791
37 HG23 ILE 5 HG23 ILE 5 1.111 -5.022 4.530
38 HD11 ILE 5 HD11 ILE 5 0.564 -3.607 1.151
39 HD12 ILE 5 HD12 ILE 5 1.516 -2.968 2.509
40 HD13 ILE 5 HD13 ILE 5 1.116 -4.700 2.434
41 H VAL 6 H VAL 6 -0.620 -1.246 6.828
42 HA VAL 6 HA VAL 6 -0.170 -2.936 9.086
43 HB VAL 6 HB VAL 6 -0.399 0.092 8.969
44 HG11 VAL 6 HG11 VAL 6 0.962 -1.774 10.950
45 HG12 VAL 6 HG12 VAL 6 1.077 0.002 10.958
46 HG13 VAL 6 HG13 VAL 6 -0.485 -0.795 11.261
47 HG21 VAL 6 HG21 VAL 6 2.025 -1.724 8.660
48 HG22 VAL 6 HG22 VAL 6 1.277 -0.761 7.363
49 HG23 VAL 6 HG23 VAL 6 2.048 0.053 8.739
50 H LYS 7 H LYS 7 -2.902 -0.827 8.143
51 HA LYS 7 HA LYS 7 -4.280 -1.032 10.645
52 HB2 LYS 7 HB2 LYS 7 -4.948 -0.186 7.854
53 HB3 LYS 7 HB3 LYS 7 -6.299 -0.683 8.885
54 HG2 LYS 7 HG2 LYS 7 -5.984 1.708 9.083
55 HG3 LYS 7 HG3 LYS 7 -5.605 0.908 10.622
56 HD2 LYS 7 HD2 LYS 7 -3.180 1.089 10.108
57 HD3 LYS 7 HD3 LYS 7 -3.583 1.854 8.554
58 HE2 LYS 7 HE2 LYS 7 -2.970 3.555 10.202
59 HE3 LYS 7 HE3 LYS 7 -4.666 3.725 9.729
60 HZ1 LYS 7 HZ1 LYS 7 -4.363 3.912 12.098
61 HZ2 LYS 7 HZ2 LYS 7 -5.274 2.590 11.759
62 HZ3 LYS 7 HZ3 LYS 7 -3.694 2.413 12.180
63 H LYS 8 H LYS 8 -4.004 -3.229 7.883
64 HA LYS 8 HA LYS 8 -6.218 -4.907 8.758
65 HB2 LYS 8 HB2 LYS 8 -5.533 -4.763 6.406
66 HB3 LYS 8 HB3 LYS 8 -3.928 -5.411 6.818
67 HG2 LYS 8 HG2 LYS 8 -4.929 -7.534 7.526
68 HG3 LYS 8 HG3 LYS 8 -6.560 -6.869 7.290
69 HD2 LYS 8 HD2 LYS 8 -5.969 -8.277 5.389
70 HD3 LYS 8 HD3 LYS 8 -6.113 -6.592 4.877
71 HE2 LYS 8 HE2 LYS 8 -4.154 -7.584 3.832
72 HE3 LYS 8 HE3 LYS 8 -3.632 -6.361 5.000
73 HZ1 LYS 8 HZ1 LYS 8 -2.344 -8.380 5.167
74 HZ2 LYS 8 HZ2 LYS 8 -3.183 -8.141 6.558
75 HZ3 LYS 8 HZ3 LYS 8 -3.691 -9.269 5.471
76 H VAL 9 H VAL 9 -2.730 -4.728 9.406
77 HA VAL 9 HA VAL 9 -2.560 -7.344 10.659
78 HB VAL 9 HB VAL 9 -0.828 -4.841 10.739
79 HG11 VAL 9 HG11 VAL 9 -0.273 -7.598 11.910
80 HG12 VAL 9 HG12 VAL 9 0.913 -6.288 11.738
81 HG13 VAL 9 HG13 VAL 9 -0.475 -6.083 12.824
82 HG21 VAL 9 HG21 VAL 9 -0.919 -6.040 8.565
83 HG22 VAL 9 HG22 VAL 9 0.675 -6.205 9.329
84 HG23 VAL 9 HG23 VAL 9 -0.484 -7.553 9.394
85 H VAL 10 H VAL 10 -3.138 -3.976 11.768
86 HA VAL 10 HA VAL 10 -3.269 -4.660 14.575
87 HB VAL 10 HB VAL 10 -4.318 -2.319 12.928
88 HG11 VAL 10 HG11 VAL 10 -4.233 -2.663 15.948
89 HG12 VAL 10 HG12 VAL 10 -4.552 -1.137 15.102
90 HG13 VAL 10 HG13 VAL 10 -5.694 -2.487 14.936
91 HG21 VAL 10 HG21 VAL 10 -1.842 -2.568 13.083
92 HG22 VAL 10 HG22 VAL 10 -2.408 -1.133 13.962
93 HG23 VAL 10 HG23 VAL 10 -1.966 -2.606 14.854
94 H GLY 11 H GLY 11 -5.535 -4.749 11.849
95 HA2 GLY 11 HA2 GLY 11 -7.960 -4.923 13.319
96 HA3 GLY 11 HA3 GLY 11 -7.681 -5.547 11.678
97 H ALA 12 H ALA 12 -5.440 -7.330 12.602
98 HA ALA 12 HA ALA 12 -7.014 -9.639 13.271
99 HB1 ALA 12 HB1 ALA 12 -4.951 -9.723 11.909
100 HB2 ALA 12 HB2 ALA 12 -4.002 -9.190 13.323
101 HB3 ALA 12 HB3 ALA 12 -4.824 -10.767 13.341
102 H LEU 13 H LEU 13 -5.252 -7.220 15.124
103 HA LEU 13 HA LEU 13 -5.257 -8.776 17.596
104 HB2 LEU 13 HB2 LEU 13 -4.685 -5.819 17.161
105 HB3 LEU 13 HB3 LEU 13 -4.258 -6.792 18.572
106 HG LEU 13 HG LEU 13 -3.160 -7.186 15.753
107 HD11 LEU 13 HD11 LEU 13 -1.069 -6.310 16.716
108 HD12 LEU 13 HD12 LEU 13 -2.379 -5.114 16.845
109 HD13 LEU 13 HD13 LEU 13 -1.883 -6.053 18.275
110 HD21 LEU 13 HD21 LEU 13 -3.216 -9.305 17.024
111 HD22 LEU 13 HD22 LEU 13 -1.550 -8.711 16.872
112 HD23 LEU 13 HD23 LEU 13 -2.428 -8.501 18.406
113 H GLY 14 H GLY 14 -7.750 -7.485 15.914
114 HA2 GLY 14 HA2 GLY 14 -9.927 -7.089 16.593
115 HA3 GLY 14 HA3 GLY 14 -9.406 -7.143 18.291
116 HN1 NH2 15 HN1 NH2 15 -7.386 -5.044 16.491
117 HN2 NH2 15 HN2 NH2 15 -8.169 -3.536 16.908
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 2.311 4.275 -1.109
2 H2 GLY 1 H2 GLY 1 1.941 2.664 -1.129
3 H3 GLY 1 H3 GLY 1 3.448 3.160 -0.696
4 HA2 GLY 1 HA2 GLY 1 2.596 4.265 1.251
5 HA3 GLY 1 HA3 GLY 1 0.973 3.710 0.794
6 H LEU 2 H LEU 2 1.432 2.904 3.172
7 HA LEU 2 HA LEU 2 1.957 0.021 2.935
8 HB2 LEU 2 HB2 LEU 2 4.198 0.950 3.373
9 HB3 LEU 2 HB3 LEU 2 3.559 1.856 4.751
10 HG LEU 2 HG LEU 2 3.032 -0.241 5.935
11 HD11 LEU 2 HD11 LEU 2 2.646 -1.730 4.002
12 HD12 LEU 2 HD12 LEU 2 4.353 -1.570 3.526
13 HD13 LEU 2 HD13 LEU 2 3.917 -2.392 5.043
14 HD21 LEU 2 HD21 LEU 2 5.224 0.856 6.228
15 HD22 LEU 2 HD22 LEU 2 5.364 -0.909 6.367
16 HD23 LEU 2 HD23 LEU 2 5.879 -0.097 4.873
17 H PHE 3 H PHE 3 0.821 2.840 4.799
18 HA PHE 3 HA PHE 3 0.014 1.417 7.060
19 HB2 PHE 3 HB2 PHE 3 -0.675 4.093 5.986
20 HB3 PHE 3 HB3 PHE 3 -1.657 3.407 7.283
21 HD1 PHE 3 HD1 PHE 3 1.598 4.862 6.457
22 HD2 PHE 3 HD2 PHE 3 -0.663 2.720 9.410
23 HE1 PHE 3 HE1 PHE 3 3.274 5.483 8.190
24 HE2 PHE 3 HE2 PHE 3 1.007 3.330 11.145
25 HZ PHE 3 HZ PHE 3 2.981 4.714 10.530
26 H ASP 4 H ASP 4 -1.646 1.408 4.004
27 HA ASP 4 HA ASP 4 -4.208 0.730 5.089
28 HB2 ASP 4 HB2 ASP 4 -3.725 1.464 2.729
29 HB3 ASP 4 HB3 ASP 4 -2.911 -0.074 2.443
30 H ILE 5 H ILE 5 -1.217 -1.054 4.492
31 HA ILE 5 HA ILE 5 -2.409 -3.681 4.974
32 HB ILE 5 HB ILE 5 0.454 -2.680 4.749
33 HG12 ILE 5 HG12 ILE 5 -1.269 -4.310 2.844
34 HG13 ILE 5 HG13 ILE 5 -0.970 -2.570 2.691
35 HG21 ILE 5 HG21 ILE 5 1.109 -5.051 4.626
36 HG22 ILE 5 HG22 ILE 5 0.363 -4.682 6.182
37 HG23 ILE 5 HG23 ILE 5 -0.577 -5.538 4.935
38 HD11 ILE 5 HD11 ILE 5 0.517 -3.785 1.199
39 HD12 ILE 5 HD12 ILE 5 1.464 -3.012 2.484
40 HD13 ILE 5 HD13 ILE 5 1.141 -4.764 2.540
41 H VAL 6 H VAL 6 -0.594 -1.203 6.820
42 HA VAL 6 HA VAL 6 -0.121 -2.822 9.119
43 HB VAL 6 HB VAL 6 -0.458 0.198 8.902
44 HG11 VAL 6 HG11 VAL 6 0.867 -1.518 11.047
45 HG12 VAL 6 HG12 VAL 6 0.908 0.257 10.966
46 HG13 VAL 6 HG13 VAL 6 -0.635 -0.570 11.235
47 HG21 VAL 6 HG21 VAL 6 1.316 -0.683 7.433
48 HG22 VAL 6 HG22 VAL 6 2.010 0.202 8.806
49 HG23 VAL 6 HG23 VAL 6 2.012 -1.579 8.802
50 H LYS 7 H LYS 7 -2.931 -0.783 8.173
51 HA LYS 7 HA LYS 7 -4.288 -1.067 10.690
52 HB2 LYS 7 HB2 LYS 7 -5.289 -0.496 7.872
53 HB3 LYS 7 HB3 LYS 7 -6.321 -0.469 9.303
54 HG2 LYS 7 HG2 LYS 7 -3.911 1.330 8.825
55 HG3 LYS 7 HG3 LYS 7 -5.620 1.788 8.718
56 HD2 LYS 7 HD2 LYS 7 -5.827 1.035 11.166
57 HD3 LYS 7 HD3 LYS 7 -4.050 1.002 11.200
58 HE2 LYS 7 HE2 LYS 7 -5.798 3.390 10.496
59 HE3 LYS 7 HE3 LYS 7 -4.965 3.144 12.037
60 HZ1 LYS 7 HZ1 LYS 7 -3.728 4.594 10.600
61 HZ2 LYS 7 HZ2 LYS 7 -2.878 3.216 10.859
62 HZ3 LYS 7 HZ3 LYS 7 -3.649 3.459 9.420
63 H LYS 8 H LYS 8 -3.995 -3.189 7.879
64 HA LYS 8 HA LYS 8 -6.193 -4.910 8.683
65 HB2 LYS 8 HB2 LYS 8 -5.478 -4.721 6.354
66 HB3 LYS 8 HB3 LYS 8 -3.860 -5.320 6.768
67 HG2 LYS 8 HG2 LYS 8 -4.805 -7.464 7.521
68 HG3 LYS 8 HG3 LYS 8 -6.436 -6.916 7.111
69 HD2 LYS 8 HD2 LYS 8 -4.178 -7.059 5.068
70 HD3 LYS 8 HD3 LYS 8 -5.203 -8.440 5.454
71 HE2 LYS 8 HE2 LYS 8 -6.109 -7.457 3.497
72 HE3 LYS 8 HE3 LYS 8 -7.219 -7.127 4.826
73 HZ1 LYS 8 HZ1 LYS 8 -5.238 -5.231 3.737
74 HZ2 LYS 8 HZ2 LYS 8 -6.843 -5.217 3.404
75 HZ3 LYS 8 HZ3 LYS 8 -6.340 -4.900 4.927
76 H VAL 9 H VAL 9 -2.705 -4.739 9.355
77 HA VAL 9 HA VAL 9 -2.566 -7.369 10.591
78 HB VAL 9 HB VAL 9 -0.794 -4.891 10.679
79 HG11 VAL 9 HG11 VAL 9 -0.277 -7.664 11.823
80 HG12 VAL 9 HG12 VAL 9 0.935 -6.371 11.658
81 HG13 VAL 9 HG13 VAL 9 -0.446 -6.155 12.751
82 HG21 VAL 9 HG21 VAL 9 0.671 -6.264 9.240
83 HG22 VAL 9 HG22 VAL 9 -0.501 -7.606 9.315
84 HG23 VAL 9 HG23 VAL 9 -0.928 -6.088 8.494
85 H VAL 10 H VAL 10 -3.093 -3.999 11.733
86 HA VAL 10 HA VAL 10 -3.201 -4.707 14.535
87 HB VAL 10 HB VAL 10 -4.199 -2.331 12.913
88 HG11 VAL 10 HG11 VAL 10 -4.110 -2.701 15.940
89 HG12 VAL 10 HG12 VAL 10 -4.415 -1.164 15.106
90 HG13 VAL 10 HG13 VAL 10 -5.575 -2.494 14.948
91 HG21 VAL 10 HG21 VAL 10 -1.733 -2.623 13.056
92 HG22 VAL 10 HG22 VAL 10 -2.271 -1.201 13.980
93 HG23 VAL 10 HG23 VAL 10 -1.857 -2.703 14.828
94 H GLY 11 H GLY 11 -5.513 -4.721 11.837
95 HA2 GLY 11 HA2 GLY 11 -7.918 -4.849 13.350
96 HA3 GLY 11 HA3 GLY 11 -7.674 -5.461 11.700
97 H ALA 12 H ALA 12 -5.482 -7.316 12.555
98 HA ALA 12 HA ALA 12 -7.111 -9.583 13.252
99 HB1 ALA 12 HB1 ALA 12 -4.082 -9.223 13.234
100 HB2 ALA 12 HB2 ALA 12 -4.955 -10.774 13.263
101 HB3 ALA 12 HB3 ALA 12 -5.074 -9.718 11.842
102 H LEU 13 H LEU 13 -5.223 -7.240 15.079
103 HA LEU 13 HA LEU 13 -5.242 -8.811 17.540
104 HB2 LEU 13 HB2 LEU 13 -4.598 -5.870 17.107
105 HB3 LEU 13 HB3 LEU 13 -4.175 -6.850 18.512
106 HG LEU 13 HG LEU 13 -3.132 -7.261 15.668
107 HD11 LEU 13 HD11 LEU 13 -1.788 -6.176 18.173
108 HD12 LEU 13 HD12 LEU 13 -1.002 -6.462 16.606
109 HD13 LEU 13 HD13 LEU 13 -2.273 -5.225 16.749
110 HD21 LEU 13 HD21 LEU 13 -1.547 -8.830 16.758
111 HD22 LEU 13 HD22 LEU 13 -2.402 -8.613 18.306
112 HD23 LEU 13 HD23 LEU 13 -3.225 -9.378 16.927
113 H GLY 14 H GLY 14 -7.713 -7.428 15.897
114 HA2 GLY 14 HA2 GLY 14 -9.870 -7.000 16.609
115 HA3 GLY 14 HA3 GLY 14 -9.332 -7.066 18.299
116 HN1 NH2 15 HN1 NH2 15 -7.275 -5.009 16.500
117 HN2 NH2 15 HN2 NH2 15 -8.033 -3.487 16.914