Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649665 | 6vhj RC | 30712 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 HT1 PHE 1 14.204 -2.529 6.208
2 H2 PHE 1 HT2 PHE 1 13.324 -2.101 4.819
3 H3 PHE 1 HT3 PHE 1 13.831 -3.708 5.048
4 HA PHE 1 HA PHE 1 12.155 -4.209 6.432
5 HB2 PHE 1 HB2 PHE 1 13.000 -2.727 8.194
6 HB3 PHE 1 HB1 PHE 1 12.299 -1.329 7.377
7 HD1 PHE 1 HD1 PHE 1 11.447 -4.576 9.001
8 HD2 PHE 1 HD2 PHE 1 10.020 -0.749 7.671
9 HE1 PHE 1 HE1 PHE 1 9.284 -4.986 10.142
10 HE2 PHE 1 HE2 PHE 1 7.857 -1.160 8.812
11 HZ PHE 1 HZ PHE 1 7.488 -3.278 10.047
12 H PHE 2 HN PHE 2 11.926 -0.975 4.964
13 HA PHE 2 HA PHE 2 9.124 -1.439 4.268
14 HB2 PHE 2 HB2 PHE 2 9.454 0.767 4.996
15 HB3 PHE 2 HB1 PHE 2 10.970 0.928 4.109
16 HD1 PHE 2 HD1 PHE 2 7.549 -0.259 3.104
17 HD2 PHE 2 HD2 PHE 2 10.744 2.537 2.453
18 HE1 PHE 2 HE1 PHE 2 6.330 0.684 1.158
19 HE2 PHE 2 HE2 PHE 2 9.527 3.479 0.511
20 HZ PHE 2 HZ PHE 2 7.319 2.554 -0.137
21 H CYS 3 HN CYS 3 9.417 -3.144 2.751
22 HA CYS 3 HA CYS 3 10.907 -2.490 0.319
23 HB2 CYS 3 HB2 CYS 3 9.901 -4.970 1.577
24 HB3 CYS 3 HB1 CYS 3 9.850 -4.924 -0.185
25 H VAL 4 HN VAL 4 9.851 -1.325 -1.142
26 HA VAL 4 HA VAL 4 7.040 -1.058 -1.280
27 HB VAL 4 HB VAL 4 7.680 -0.149 -3.658
28 HG11 VAL 4 HG11 VAL 4 9.017 1.338 -1.439
29 HG12 VAL 4 HG12 VAL 4 7.294 0.999 -1.279
30 HG13 VAL 4 HG13 VAL 4 7.887 1.925 -2.659
31 HG21 VAL 4 HG21 VAL 4 9.966 -1.350 -3.421
32 HG22 VAL 4 HG22 VAL 4 10.384 -0.040 -2.314
33 HG23 VAL 4 HG23 VAL 4 9.979 0.317 -3.995
34 H GLN 5 HN GLN 5 9.337 -3.029 -3.126
35 HA GLN 5 HA GLN 5 7.345 -4.999 -3.705
36 HB2 GLN 5 HB2 GLN 5 7.873 -4.544 -6.311
37 HB3 GLN 5 HB1 GLN 5 6.469 -3.870 -5.485
38 HG2 GLN 5 HG2 GLN 5 7.724 -1.808 -5.005
39 HG3 GLN 5 HG1 GLN 5 9.146 -2.480 -5.803
40 HE21 GLN 5 HE21 GLN 5 7.386 -0.083 -6.538
41 HE22 GLN 5 HE22 GLN 5 6.932 -0.379 -8.149
42 H GLY 6 HN GLY 6 8.798 -6.509 -2.981
43 HA2 GLY 6 HA2 GLY 6 10.477 -8.075 -3.200
44 HA3 GLY 6 HA1 GLY 6 10.738 -7.470 -4.834
45 H DBB 7 HN DBB 7 10.854 -5.243 -2.191
46 HA DBB 7 HA DBB 7 13.638 -5.438 -1.604
47 HB2 DBB 7 HB2 DBB 7 11.572 -3.290 -1.140
48 HG1 DBB 7 HG1 DBB 7 14.419 -3.019 -1.163
49 HG2 DBB 7 HG2 DBB 7 13.876 -2.951 0.513
50 HG3 DBB 7 HG3 DBB 7 13.216 -1.826 -0.674
51 H ALA 8 HN ALA 8 11.718 -3.270 -3.664
52 HA ALA 8 HA ALA 8 14.189 -2.600 -5.132
53 HB1 ALA 8 HB1 ALA 8 12.760 -3.487 -6.724
54 HB2 ALA 8 HB2 ALA 8 12.359 -1.773 -6.836
55 HB3 ALA 8 HB3 ALA 8 11.315 -2.864 -5.925
56 H ASN 9 HN ASN 9 13.208 -1.332 -2.614
57 HA ASN 9 HA ASN 9 12.013 1.150 -3.034
58 HB2 ASN 9 HB2 ASN 9 12.673 -0.037 -0.830
59 HB3 ASN 9 HB1 ASN 9 14.227 0.764 -1.032
60 HD21 ASN 9 HD21 ASN 9 11.538 1.168 0.700
61 HD22 ASN 9 HD22 ASN 9 11.381 2.861 0.672
62 H ARG 10 HN ARG 10 15.416 1.125 -2.116
63 HA ARG 10 HA ARG 10 17.218 2.306 -2.890
64 HB2 ARG 10 HB2 ARG 10 16.117 2.659 -5.610
65 HB3 ARG 10 HB1 ARG 10 17.687 2.044 -5.101
66 HG2 ARG 10 HG2 ARG 10 15.054 0.538 -5.083
67 HG3 ARG 10 HG1 ARG 10 16.448 0.226 -6.113
68 HD2 ARG 10 HD2 ARG 10 16.548 0.068 -3.094
69 HD3 ARG 10 HD1 ARG 10 16.248 -1.321 -4.133
70 HE ARG 10 HE ARG 10 18.586 -0.044 -5.032
71 HH11 ARG 10 HH11 ARG 10 17.362 -1.761 -2.290
72 HH12 ARG 10 HH12 ARG 10 18.902 -2.412 -1.839
73 HH21 ARG 10 HH21 ARG 10 20.605 -0.895 -4.451
74 HH22 ARG 10 HH22 ARG 10 20.739 -1.922 -3.064
75 H PHE 11 HN PHE 11 15.436 3.836 -1.567
76 HA PHE 11 HA PHE 11 16.043 6.436 -2.284
77 HB2 PHE 11 HB2 PHE 11 13.911 7.265 -3.228
78 HB3 PHE 11 HB1 PHE 11 14.692 6.101 -4.301
79 HD1 PHE 11 HD1 PHE 11 12.350 6.051 -1.351
80 HD2 PHE 11 HD2 PHE 11 13.342 4.476 -5.219
81 HE1 PHE 11 HE1 PHE 11 10.354 4.584 -1.258
82 HE2 PHE 11 HE2 PHE 11 11.350 3.006 -5.133
83 HZ PHE 11 HZ PHE 11 9.861 3.054 -3.157
84 H DBB 12 HN DBB 12 14.175 4.129 -0.641
85 HA DBB 12 HA DBB 12 12.332 5.396 0.881
86 HB2 DBB 12 HB2 DBB 12 13.908 5.823 2.996
87 HG1 DBB 12 HG1 DBB 12 15.798 5.323 1.033
88 HG2 DBB 12 HG2 DBB 12 16.100 6.183 2.544
89 HG3 DBB 12 HG3 DBB 12 15.731 7.084 1.074
90 H ILE 13 HN ILE 13 15.034 3.249 0.728
91 HA ILE 13 HA ILE 13 13.908 0.892 1.303
92 HB ILE 13 HB ILE 13 16.488 1.457 2.710
93 HG12 ILE 13 HG12 ILE 13 17.399 1.081 0.226
94 HG13 ILE 13 HG11 ILE 13 15.876 1.867 -0.189
95 HG21 ILE 13 HG21 ILE 13 17.014 -0.735 2.032
96 HG22 ILE 13 HG22 ILE 13 15.852 -0.700 0.705
97 HG23 ILE 13 HG23 ILE 13 15.285 -0.833 2.370
98 HD11 ILE 13 HD11 ILE 13 16.758 3.471 1.844
99 HD12 ILE 13 HD12 ILE 13 17.042 3.794 0.134
100 HD13 ILE 13 HD13 ILE 13 18.283 2.993 1.097
101 H ASN 14 HN ASN 14 15.083 3.137 3.808
102 HA ASN 14 HA ASN 14 14.400 1.541 6.026
103 HB2 ASN 14 HB2 ASN 14 14.763 4.506 5.649
104 HB3 ASN 14 HB1 ASN 14 14.312 3.825 7.212
105 HD21 ASN 14 HD21 ASN 14 16.838 5.146 6.786
106 HD22 ASN 14 HD22 ASN 14 18.066 3.985 6.949
107 H VAL 15 HN VAL 15 12.571 3.956 4.206
108 HA VAL 15 HA VAL 15 10.078 2.928 4.347
109 HB VAL 15 HB VAL 15 10.089 2.723 6.721
110 HG11 VAL 15 HG11 VAL 15 12.015 4.407 6.947
111 HG12 VAL 15 HG12 VAL 15 10.799 4.429 8.224
112 HG13 VAL 15 HG13 VAL 15 10.772 5.658 6.959
113 HG21 VAL 15 HG21 VAL 15 8.667 5.331 6.584
114 HG22 VAL 15 HG22 VAL 15 8.089 3.763 7.149
115 HG23 VAL 15 HG23 VAL 15 8.164 4.105 5.421
116 H CYS 16 HN CYS 16 12.149 5.330 3.710
117 HA CYS 16 HA CYS 16 10.218 7.499 3.496
118 HB2 CYS 16 HB2 CYS 16 12.015 8.880 3.374
119 HB3 CYS 16 HB1 CYS 16 12.873 7.491 4.038
Start of MODEL 2
1 H1 PHE 1 HT1 PHE 1 13.025 -1.623 6.918
2 H2 PHE 1 HT2 PHE 1 13.254 -2.973 5.911
3 H3 PHE 1 HT3 PHE 1 13.737 -3.032 7.538
4 HA PHE 1 HA PHE 1 11.713 -4.253 7.327
5 HB2 PHE 1 HB2 PHE 1 11.289 -1.513 8.560
6 HB3 PHE 1 HB1 PHE 1 10.288 -2.931 8.875
7 HD1 PHE 1 HD1 PHE 1 13.495 -1.296 9.516
8 HD2 PHE 1 HD2 PHE 1 11.229 -4.906 10.045
9 HE1 PHE 1 HE1 PHE 1 15.103 -2.051 11.247
10 HE2 PHE 1 HE2 PHE 1 12.837 -5.662 11.776
11 HZ PHE 1 HZ PHE 1 14.774 -4.234 12.377
12 H PHE 2 HN PHE 2 12.000 -1.548 5.339
13 HA PHE 2 HA PHE 2 9.207 -1.810 4.402
14 HB2 PHE 2 HB2 PHE 2 9.704 0.449 5.152
15 HB3 PHE 2 HB1 PHE 2 11.141 0.503 4.131
16 HD1 PHE 2 HD1 PHE 2 7.978 -1.119 3.125
17 HD2 PHE 2 HD2 PHE 2 10.448 2.376 2.762
18 HE1 PHE 2 HE1 PHE 2 6.597 -0.342 1.216
19 HE2 PHE 2 HE2 PHE 2 9.067 3.154 0.855
20 HZ PHE 2 HZ PHE 2 7.141 1.795 0.083
21 H CYS 3 HN CYS 3 9.057 -3.053 2.655
22 HA CYS 3 HA CYS 3 11.131 -2.792 0.573
23 HB2 CYS 3 HB2 CYS 3 10.430 -5.126 2.068
24 HB3 CYS 3 HB1 CYS 3 9.918 -5.362 0.396
25 H VAL 4 HN VAL 4 10.356 -2.305 -1.407
26 HA VAL 4 HA VAL 4 7.450 -2.624 -1.858
27 HB VAL 4 HB VAL 4 7.711 -0.710 -3.464
28 HG11 VAL 4 HG11 VAL 4 7.815 -0.676 -0.556
29 HG12 VAL 4 HG12 VAL 4 6.869 0.333 -1.650
30 HG13 VAL 4 HG13 VAL 4 8.524 0.786 -1.243
31 HG21 VAL 4 HG21 VAL 4 10.051 -0.770 -3.956
32 HG22 VAL 4 HG22 VAL 4 10.483 -0.731 -2.246
33 HG23 VAL 4 HG23 VAL 4 9.801 0.701 -3.016
34 H GLN 5 HN GLN 5 6.840 -3.874 -3.512
35 HA GLN 5 HA GLN 5 7.125 -5.506 -5.143
36 HB2 GLN 5 HB2 GLN 5 8.288 -4.291 -7.215
37 HB3 GLN 5 HB1 GLN 5 6.646 -3.893 -6.707
38 HG2 GLN 5 HG2 GLN 5 7.544 -2.049 -5.307
39 HG3 GLN 5 HG1 GLN 5 9.167 -2.427 -5.881
40 HE21 GLN 5 HE21 GLN 5 8.002 0.136 -6.369
41 HE22 GLN 5 HE22 GLN 5 7.717 0.285 -8.043
42 H GLY 6 HN GLY 6 8.691 -6.701 -3.785
43 HA2 GLY 6 HA2 GLY 6 10.647 -7.888 -3.547
44 HA3 GLY 6 HA1 GLY 6 10.947 -7.516 -5.243
45 H DBB 7 HN DBB 7 11.148 -6.085 -1.991
46 HA DBB 7 HA DBB 7 13.710 -5.398 -1.773
47 HB2 DBB 7 HB2 DBB 7 11.295 -3.725 -1.126
48 HG1 DBB 7 HG1 DBB 7 12.576 -1.925 -0.697
49 HG2 DBB 7 HG2 DBB 7 13.958 -2.766 -1.396
50 HG3 DBB 7 HG3 DBB 7 13.631 -2.899 0.328
51 H ALA 8 HN ALA 8 11.491 -2.975 -3.170
52 HA ALA 8 HA ALA 8 13.689 -2.151 -4.971
53 HB1 ALA 8 HB1 ALA 8 12.188 -1.806 -6.705
54 HB2 ALA 8 HB2 ALA 8 10.816 -1.610 -5.615
55 HB3 ALA 8 HB3 ALA 8 11.479 -3.216 -5.916
56 H ASN 9 HN ASN 9 13.041 -1.210 -2.238
57 HA ASN 9 HA ASN 9 12.094 1.523 -2.739
58 HB2 ASN 9 HB2 ASN 9 11.115 0.305 -0.836
59 HB3 ASN 9 HB1 ASN 9 12.721 0.118 -0.139
60 HD21 ASN 9 HD21 ASN 9 11.967 1.397 1.756
61 HD22 ASN 9 HD22 ASN 9 11.849 3.093 1.633
62 H ARG 10 HN ARG 10 14.203 1.745 -4.005
63 HA ARG 10 HA ARG 10 16.678 1.889 -2.606
64 HB2 ARG 10 HB2 ARG 10 15.728 3.013 -5.238
65 HB3 ARG 10 HB1 ARG 10 17.364 3.277 -4.635
66 HG2 ARG 10 HG2 ARG 10 17.554 1.341 -5.981
67 HG3 ARG 10 HG1 ARG 10 17.462 0.713 -4.335
68 HD2 ARG 10 HD2 ARG 10 15.062 0.296 -4.604
69 HD3 ARG 10 HD1 ARG 10 15.111 0.975 -6.229
70 HE ARG 10 HE ARG 10 16.183 -0.981 -6.979
71 HH11 ARG 10 HH11 ARG 10 15.787 -0.901 -3.542
72 HH12 ARG 10 HH12 ARG 10 16.171 -2.576 -3.321
73 HH21 ARG 10 HH21 ARG 10 16.688 -3.177 -6.696
74 HH22 ARG 10 HH22 ARG 10 16.681 -3.864 -5.106
75 H PHE 11 HN PHE 11 14.167 4.249 -3.390
76 HA PHE 11 HA PHE 11 15.558 6.558 -2.535
77 HB2 PHE 11 HB2 PHE 11 13.269 7.555 -2.346
78 HB3 PHE 11 HB1 PHE 11 13.572 6.772 -3.896
79 HD1 PHE 11 HD1 PHE 11 11.604 6.728 -0.833
80 HD2 PHE 11 HD2 PHE 11 12.663 4.474 -4.331
81 HE1 PHE 11 HE1 PHE 11 9.659 5.235 -0.460
82 HE2 PHE 11 HE2 PHE 11 10.720 2.983 -3.962
83 HZ PHE 11 HZ PHE 11 9.218 3.361 -2.025
84 H DBB 12 HN DBB 12 13.068 4.628 -0.850
85 HA DBB 12 HA DBB 12 12.429 4.715 1.383
86 HB2 DBB 12 HB2 DBB 12 13.148 6.390 2.797
87 HG1 DBB 12 HG1 DBB 12 15.575 7.409 1.822
88 HG2 DBB 12 HG2 DBB 12 15.746 5.657 1.774
89 HG3 DBB 12 HG3 DBB 12 15.341 6.460 3.290
90 H ILE 13 HN ILE 13 13.940 2.700 0.262
91 HA ILE 13 HA ILE 13 15.026 0.796 0.971
92 HB ILE 13 HB ILE 13 16.980 2.871 2.005
93 HG12 ILE 13 HG12 ILE 13 17.133 1.373 -0.611
94 HG13 ILE 13 HG11 ILE 13 16.224 2.880 -0.489
95 HG21 ILE 13 HG21 ILE 13 18.489 0.771 1.276
96 HG22 ILE 13 HG22 ILE 13 17.019 -0.100 1.713
97 HG23 ILE 13 HG23 ILE 13 17.826 0.923 2.904
98 HD11 ILE 13 HD11 ILE 13 18.652 3.130 -1.208
99 HD12 ILE 13 HD12 ILE 13 19.097 2.628 0.423
100 HD13 ILE 13 HD13 ILE 13 18.166 4.107 0.178
101 H ASN 14 HN ASN 14 13.357 2.578 2.991
102 HA ASN 14 HA ASN 14 13.214 0.750 5.077
103 HB2 ASN 14 HB2 ASN 14 15.601 1.653 5.425
104 HB3 ASN 14 HB1 ASN 14 14.823 3.138 5.963
105 HD21 ASN 14 HD21 ASN 14 15.383 2.917 8.211
106 HD22 ASN 14 HD22 ASN 14 14.761 1.672 9.183
107 H VAL 15 HN VAL 15 13.123 4.184 4.238
108 HA VAL 15 HA VAL 15 10.408 4.549 4.616
109 HB VAL 15 HB VAL 15 10.651 4.008 6.949
110 HG11 VAL 15 HG11 VAL 15 12.306 6.095 7.933
111 HG12 VAL 15 HG12 VAL 15 13.179 5.338 6.602
112 HG13 VAL 15 HG13 VAL 15 12.628 4.362 7.963
113 HG21 VAL 15 HG21 VAL 15 9.674 5.945 7.898
114 HG22 VAL 15 HG22 VAL 15 9.299 6.082 6.180
115 HG23 VAL 15 HG23 VAL 15 10.618 7.027 6.873
116 H CYS 16 HN CYS 16 10.531 5.995 2.963
117 HA CYS 16 HA CYS 16 12.374 8.267 3.183
118 HB2 CYS 16 HB2 CYS 16 10.971 6.886 0.991
119 HB3 CYS 16 HB1 CYS 16 11.022 8.642 0.841
Start of MODEL 3
1 H1 PHE 1 HT1 PHE 1 13.022 -2.815 8.399
2 H2 PHE 1 HT2 PHE 1 11.630 -1.856 8.229
3 H3 PHE 1 HT3 PHE 1 12.751 -1.965 6.957
4 HA PHE 1 HA PHE 1 12.259 -4.355 6.755
5 HB2 PHE 1 HB2 PHE 1 10.088 -3.636 8.750
6 HB3 PHE 1 HB1 PHE 1 10.232 -5.181 7.911
7 HD1 PHE 1 HD1 PHE 1 11.559 -3.054 10.577
8 HD2 PHE 1 HD2 PHE 1 12.137 -6.697 8.376
9 HE1 PHE 1 HE1 PHE 1 13.146 -3.848 12.309
10 HE2 PHE 1 HE2 PHE 1 13.724 -7.492 10.107
11 HZ PHE 1 HZ PHE 1 14.228 -6.067 12.075
12 H PHE 2 HN PHE 2 11.839 -1.700 5.590
13 HA PHE 2 HA PHE 2 9.142 -1.987 4.431
14 HB2 PHE 2 HB2 PHE 2 9.461 0.206 5.318
15 HB3 PHE 2 HB1 PHE 2 11.055 0.347 4.577
16 HD1 PHE 2 HD1 PHE 2 8.216 -1.216 2.830
17 HD2 PHE 2 HD2 PHE 2 10.512 2.381 3.334
18 HE1 PHE 2 HE1 PHE 2 7.181 -0.269 0.784
19 HE2 PHE 2 HE2 PHE 2 9.476 3.327 1.290
20 HZ PHE 2 HZ PHE 2 7.810 2.004 0.016
21 H CYS 3 HN CYS 3 9.025 -2.966 2.524
22 HA CYS 3 HA CYS 3 11.191 -2.529 0.572
23 HB2 CYS 3 HB2 CYS 3 10.511 -5.007 1.848
24 HB3 CYS 3 HB1 CYS 3 10.159 -5.116 0.119
25 H VAL 4 HN VAL 4 10.479 -1.906 -1.366
26 HA VAL 4 HA VAL 4 7.600 -2.198 -1.947
27 HB VAL 4 HB VAL 4 8.203 -0.382 -3.708
28 HG11 VAL 4 HG11 VAL 4 6.957 0.726 -2.191
29 HG12 VAL 4 HG12 VAL 4 8.457 1.158 -1.370
30 HG13 VAL 4 HG13 VAL 4 7.566 -0.283 -0.882
31 HG21 VAL 4 HG21 VAL 4 10.657 -0.626 -3.441
32 HG22 VAL 4 HG22 VAL 4 10.517 -0.119 -1.757
33 HG23 VAL 4 HG23 VAL 4 10.126 1.011 -3.053
34 H GLN 5 HN GLN 5 7.180 -3.864 -3.244
35 HA GLN 5 HA GLN 5 7.185 -5.130 -5.182
36 HB2 GLN 5 HB2 GLN 5 9.632 -3.553 -6.011
37 HB3 GLN 5 HB1 GLN 5 8.582 -4.519 -7.044
38 HG2 GLN 5 HG2 GLN 5 7.689 -2.077 -5.484
39 HG3 GLN 5 HG1 GLN 5 8.087 -2.083 -7.204
40 HE21 GLN 5 HE21 GLN 5 5.434 -1.910 -5.409
41 HE22 GLN 5 HE22 GLN 5 4.364 -2.899 -6.294
42 H GLY 6 HN GLY 6 8.703 -5.647 -2.677
43 HA2 GLY 6 HA2 GLY 6 9.715 -7.750 -2.153
44 HA3 GLY 6 HA1 GLY 6 10.449 -7.760 -3.754
45 H DBB 7 HN DBB 7 11.068 -4.787 -3.247
46 HA DBB 7 HA DBB 7 13.621 -5.295 -1.881
47 HB2 DBB 7 HB2 DBB 7 11.549 -3.269 -1.110
48 HG1 DBB 7 HG1 DBB 7 13.196 -1.691 -1.232
49 HG2 DBB 7 HG2 DBB 7 14.484 -2.897 -1.261
50 HG3 DBB 7 HG3 DBB 7 13.739 -2.438 0.270
51 H ALA 8 HN ALA 8 11.654 -2.978 -3.729
52 HA ALA 8 HA ALA 8 14.108 -2.206 -5.191
53 HB1 ALA 8 HB1 ALA 8 11.361 -2.839 -6.053
54 HB2 ALA 8 HB2 ALA 8 12.880 -2.952 -6.943
55 HB3 ALA 8 HB3 ALA 8 12.057 -1.399 -6.798
56 H ASN 9 HN ASN 9 13.473 -0.971 -2.747
57 HA ASN 9 HA ASN 9 11.956 1.392 -2.998
58 HB2 ASN 9 HB2 ASN 9 12.938 0.223 -0.882
59 HB3 ASN 9 HB1 ASN 9 14.355 1.215 -1.205
60 HD21 ASN 9 HD21 ASN 9 11.760 1.256 0.737
61 HD22 ASN 9 HD22 ASN 9 11.421 2.926 0.776
62 H ARG 10 HN ARG 10 15.449 1.511 -2.450
63 HA ARG 10 HA ARG 10 17.077 2.856 -3.330
64 HB2 ARG 10 HB2 ARG 10 15.298 2.508 -5.735
65 HB3 ARG 10 HB1 ARG 10 16.811 3.411 -5.802
66 HG2 ARG 10 HG2 ARG 10 17.560 1.292 -6.385
67 HG3 ARG 10 HG1 ARG 10 17.782 1.243 -4.635
68 HD2 ARG 10 HD2 ARG 10 15.575 0.163 -4.390
69 HD3 ARG 10 HD1 ARG 10 15.361 0.204 -6.137
70 HE ARG 10 HE ARG 10 16.964 -1.517 -6.338
71 HH11 ARG 10 HH11 ARG 10 16.583 -0.381 -3.091
72 HH12 ARG 10 HH12 ARG 10 17.428 -1.716 -2.379
73 HH21 ARG 10 HH21 ARG 10 18.071 -3.270 -5.410
74 HH22 ARG 10 HH22 ARG 10 18.270 -3.351 -3.692
75 H PHE 11 HN PHE 11 15.181 4.133 -1.774
76 HA PHE 11 HA PHE 11 15.615 6.823 -2.273
77 HB2 PHE 11 HB2 PHE 11 13.454 7.599 -3.148
78 HB3 PHE 11 HB1 PHE 11 14.235 6.511 -4.293
79 HD1 PHE 11 HD1 PHE 11 12.026 6.205 -1.268
80 HD2 PHE 11 HD2 PHE 11 12.843 4.944 -5.291
81 HE1 PHE 11 HE1 PHE 11 10.055 4.713 -1.196
82 HE2 PHE 11 HE2 PHE 11 10.873 3.447 -5.221
83 HZ PHE 11 HZ PHE 11 9.471 3.328 -3.176
84 H DBB 12 HN DBB 12 14.570 4.369 -0.457
85 HA DBB 12 HA DBB 12 12.546 5.574 1.150
86 HB2 DBB 12 HB2 DBB 12 14.110 5.702 3.200
87 HG1 DBB 12 HG1 DBB 12 16.264 5.154 2.835
88 HG2 DBB 12 HG2 DBB 12 16.403 6.562 1.782
89 HG3 DBB 12 HG3 DBB 12 15.964 4.992 1.104
90 H ILE 13 HN ILE 13 15.140 3.237 0.784
91 HA ILE 13 HA ILE 13 13.857 0.919 0.943
92 HB ILE 13 HB ILE 13 16.257 1.216 2.729
93 HG12 ILE 13 HG12 ILE 13 17.415 0.878 0.325
94 HG13 ILE 13 HG11 ILE 13 16.016 1.826 -0.183
95 HG21 ILE 13 HG21 ILE 13 16.738 -0.973 2.022
96 HG22 ILE 13 HG22 ILE 13 15.758 -0.818 0.562
97 HG23 ILE 13 HG23 ILE 13 14.978 -0.982 2.136
98 HD11 ILE 13 HD11 ILE 13 17.300 3.614 0.395
99 HD12 ILE 13 HD12 ILE 13 18.362 2.642 1.413
100 HD13 ILE 13 HD13 ILE 13 16.813 3.208 2.040
101 H ASN 14 HN ASN 14 15.157 2.310 3.965
102 HA ASN 14 HA ASN 14 13.600 0.662 5.659
103 HB2 ASN 14 HB2 ASN 14 15.643 1.741 6.442
104 HB3 ASN 14 HB1 ASN 14 14.915 3.329 6.213
105 HD21 ASN 14 HD21 ASN 14 15.811 2.635 8.785
106 HD22 ASN 14 HD22 ASN 14 14.474 2.381 9.799
107 H VAL 15 HN VAL 15 13.125 3.942 4.413
108 HA VAL 15 HA VAL 15 10.422 3.962 4.175
109 HB VAL 15 HB VAL 15 11.223 4.139 7.024
110 HG11 VAL 15 HG11 VAL 15 8.930 5.518 7.217
111 HG12 VAL 15 HG12 VAL 15 9.480 6.139 5.660
112 HG13 VAL 15 HG13 VAL 15 10.495 6.325 7.091
113 HG21 VAL 15 HG21 VAL 15 8.423 3.665 6.316
114 HG22 VAL 15 HG22 VAL 15 9.543 2.636 7.209
115 HG23 VAL 15 HG23 VAL 15 9.525 2.598 5.446
116 H CYS 16 HN CYS 16 10.985 5.443 2.590
117 HA CYS 16 HA CYS 16 10.751 8.146 3.133
118 HB2 CYS 16 HB2 CYS 16 12.827 9.022 3.469
119 HB3 CYS 16 HB1 CYS 16 13.172 7.409 4.095
Start of MODEL 4
1 H1 PHE 1 HT1 PHE 1 10.355 -4.844 8.030
2 H2 PHE 1 HT2 PHE 1 11.988 -5.243 7.786
3 H3 PHE 1 HT3 PHE 1 10.909 -5.233 6.475
4 HA PHE 1 HA PHE 1 11.242 -2.763 8.010
5 HB2 PHE 1 HB2 PHE 1 13.187 -2.155 6.610
6 HB3 PHE 1 HB1 PHE 1 13.547 -3.544 7.636
7 HD1 PHE 1 HD1 PHE 1 13.303 -2.317 4.247
8 HD2 PHE 1 HD2 PHE 1 13.344 -5.881 6.645
9 HE1 PHE 1 HE1 PHE 1 13.844 -3.664 2.236
10 HE2 PHE 1 HE2 PHE 1 13.886 -7.228 4.634
11 HZ PHE 1 HZ PHE 1 14.135 -6.120 2.430
12 H PHE 2 HN PHE 2 11.825 -1.233 5.753
13 HA PHE 2 HA PHE 2 9.251 -1.336 4.390
14 HB2 PHE 2 HB2 PHE 2 10.000 0.828 5.188
15 HB3 PHE 2 HB1 PHE 2 11.515 0.671 4.297
16 HD1 PHE 2 HD1 PHE 2 8.574 -0.716 2.709
17 HD2 PHE 2 HD2 PHE 2 10.898 2.865 3.184
18 HE1 PHE 2 HE1 PHE 2 7.493 0.251 0.698
19 HE2 PHE 2 HE2 PHE 2 9.817 3.833 1.174
20 HZ PHE 2 HZ PHE 2 8.114 2.527 -0.069
21 H CYS 3 HN CYS 3 9.031 -2.505 2.602
22 HA CYS 3 HA CYS 3 11.198 -2.460 0.610
23 HB2 CYS 3 HB2 CYS 3 10.341 -4.748 2.137
24 HB3 CYS 3 HB1 CYS 3 9.988 -5.002 0.428
25 H VAL 4 HN VAL 4 10.489 -2.117 -1.434
26 HA VAL 4 HA VAL 4 7.577 -2.315 -1.913
27 HB VAL 4 HB VAL 4 8.051 -0.480 -3.649
28 HG11 VAL 4 HG11 VAL 4 7.454 -0.413 -0.882
29 HG12 VAL 4 HG12 VAL 4 7.066 0.811 -2.090
30 HG13 VAL 4 HG13 VAL 4 8.574 0.916 -1.183
31 HG21 VAL 4 HG21 VAL 4 10.415 0.122 -1.880
32 HG22 VAL 4 HG22 VAL 4 10.041 0.763 -3.479
33 HG23 VAL 4 HG23 VAL 4 10.607 -0.898 -3.305
34 H GLN 5 HN GLN 5 6.972 -3.632 -3.508
35 HA GLN 5 HA GLN 5 7.119 -5.167 -5.219
36 HB2 GLN 5 HB2 GLN 5 9.158 -3.324 -6.456
37 HB3 GLN 5 HB1 GLN 5 7.930 -4.308 -7.255
38 HG2 GLN 5 HG2 GLN 5 7.353 -1.944 -5.444
39 HG3 GLN 5 HG1 GLN 5 7.310 -1.902 -7.207
40 HE21 GLN 5 HE21 GLN 5 5.239 -2.034 -4.679
41 HE22 GLN 5 HE22 GLN 5 3.997 -2.984 -5.354
42 H GLY 6 HN GLY 6 8.482 -6.200 -3.262
43 HA2 GLY 6 HA2 GLY 6 10.128 -7.730 -2.761
44 HA3 GLY 6 HA1 GLY 6 10.511 -7.758 -4.480
45 H DBB 7 HN DBB 7 10.880 -5.633 -1.637
46 HA DBB 7 HA DBB 7 13.607 -5.480 -1.529
47 HB2 DBB 7 HB2 DBB 7 11.519 -3.390 -0.962
48 HG1 DBB 7 HG1 DBB 7 13.121 -1.812 -0.842
49 HG2 DBB 7 HG2 DBB 7 14.341 -2.992 -1.324
50 HG3 DBB 7 HG3 DBB 7 13.944 -2.781 0.381
51 H ALA 8 HN ALA 8 11.584 -3.061 -3.214
52 HA ALA 8 HA ALA 8 13.877 -2.551 -5.013
53 HB1 ALA 8 HB1 ALA 8 11.552 -3.686 -5.819
54 HB2 ALA 8 HB2 ALA 8 12.555 -2.674 -6.857
55 HB3 ALA 8 HB3 ALA 8 11.162 -1.978 -6.030
56 H ASN 9 HN ASN 9 13.422 -1.163 -2.585
57 HA ASN 9 HA ASN 9 11.955 1.222 -2.878
58 HB2 ASN 9 HB2 ASN 9 13.073 0.161 -0.773
59 HB3 ASN 9 HB1 ASN 9 14.480 1.092 -1.262
60 HD21 ASN 9 HD21 ASN 9 12.407 1.415 1.036
61 HD22 ASN 9 HD22 ASN 9 11.953 3.053 0.921
62 H ARG 10 HN ARG 10 15.436 1.464 -2.466
63 HA ARG 10 HA ARG 10 17.041 2.651 -3.589
64 HB2 ARG 10 HB2 ARG 10 15.089 2.190 -5.843
65 HB3 ARG 10 HB1 ARG 10 16.605 3.063 -6.068
66 HG2 ARG 10 HG2 ARG 10 17.131 0.818 -6.615
67 HG3 ARG 10 HG1 ARG 10 17.737 1.024 -4.972
68 HD2 ARG 10 HD2 ARG 10 15.692 0.007 -4.069
69 HD3 ARG 10 HD1 ARG 10 15.044 -0.162 -5.699
70 HE ARG 10 HE ARG 10 16.500 -1.965 -6.054
71 HH11 ARG 10 HH11 ARG 10 17.164 -0.300 -3.093
72 HH12 ARG 10 HH12 ARG 10 18.232 -1.521 -2.485
73 HH21 ARG 10 HH21 ARG 10 17.899 -3.570 -5.263
74 HH22 ARG 10 HH22 ARG 10 18.648 -3.373 -3.714
75 H PHE 11 HN PHE 11 15.000 3.983 -2.064
76 HA PHE 11 HA PHE 11 15.497 6.667 -2.837
77 HB2 PHE 11 HB2 PHE 11 13.213 7.354 -3.413
78 HB3 PHE 11 HB1 PHE 11 13.807 6.153 -4.559
79 HD1 PHE 11 HD1 PHE 11 11.756 6.556 -1.467
80 HD2 PHE 11 HD2 PHE 11 12.676 4.100 -4.869
81 HE1 PHE 11 HE1 PHE 11 9.840 5.082 -0.918
82 HE2 PHE 11 HE2 PHE 11 10.763 2.623 -4.321
83 HZ PHE 11 HZ PHE 11 9.343 3.112 -2.348
84 H DBB 12 HN DBB 12 14.240 4.273 -0.799
85 HA DBB 12 HA DBB 12 12.634 5.517 1.026
86 HB2 DBB 12 HB2 DBB 12 14.663 6.037 2.723
87 HG1 DBB 12 HG1 DBB 12 15.795 7.394 0.362
88 HG2 DBB 12 HG2 DBB 12 16.035 5.648 0.373
89 HG3 DBB 12 HG3 DBB 12 16.618 6.626 1.718
90 H ILE 13 HN ILE 13 15.569 3.635 0.651
91 HA ILE 13 HA ILE 13 14.609 1.212 1.506
92 HB ILE 13 HB ILE 13 17.401 1.968 2.274
93 HG12 ILE 13 HG12 ILE 13 17.768 1.429 -0.324
94 HG13 ILE 13 HG11 ILE 13 16.166 2.159 -0.439
95 HG21 ILE 13 HG21 ILE 13 16.467 -0.359 0.605
96 HG22 ILE 13 HG22 ILE 13 16.261 -0.380 2.357
97 HG23 ILE 13 HG23 ILE 13 17.876 -0.252 1.660
98 HD11 ILE 13 HD11 ILE 13 17.318 3.960 1.190
99 HD12 ILE 13 HD12 ILE 13 17.413 4.086 -0.568
100 HD13 ILE 13 HD13 ILE 13 18.760 3.399 0.340
101 H ASN 14 HN ASN 14 13.167 1.703 3.273
102 HA ASN 14 HA ASN 14 13.756 0.864 5.724
103 HB2 ASN 14 HB2 ASN 14 15.008 3.518 5.330
104 HB3 ASN 14 HB1 ASN 14 14.150 3.288 6.853
105 HD21 ASN 14 HD21 ASN 14 14.668 0.496 7.249
106 HD22 ASN 14 HD22 ASN 14 16.334 0.297 7.506
107 H VAL 15 HN VAL 15 12.520 3.965 4.473
108 HA VAL 15 HA VAL 15 9.808 3.356 4.844
109 HB VAL 15 HB VAL 15 9.638 5.141 6.839
110 HG11 VAL 15 HG11 VAL 15 10.259 2.567 8.008
111 HG12 VAL 15 HG12 VAL 15 9.348 2.356 6.513
112 HG13 VAL 15 HG13 VAL 15 8.689 3.346 7.815
113 HG21 VAL 15 HG21 VAL 15 12.328 4.915 6.733
114 HG22 VAL 15 HG22 VAL 15 11.972 3.584 7.835
115 HG23 VAL 15 HG23 VAL 15 11.459 5.222 8.238
116 H CYS 16 HN CYS 16 12.386 5.480 4.226
117 HA CYS 16 HA CYS 16 10.842 7.865 3.802
118 HB2 CYS 16 HB2 CYS 16 12.869 8.811 3.766
119 HB3 CYS 16 HB1 CYS 16 13.578 7.208 3.962
Start of MODEL 5
1 H1 PHE 1 HT1 PHE 1 12.575 -1.461 7.541
2 H2 PHE 1 HT2 PHE 1 12.895 -2.372 6.142
3 H3 PHE 1 HT3 PHE 1 13.311 -2.984 7.672
4 HA PHE 1 HA PHE 1 11.384 -4.134 7.205
5 HB2 PHE 1 HB2 PHE 1 9.678 -3.172 8.685
6 HB3 PHE 1 HB1 PHE 1 11.280 -2.970 9.396
7 HD1 PHE 1 HD1 PHE 1 8.453 -1.264 7.768
8 HD2 PHE 1 HD2 PHE 1 12.352 -0.777 9.503
9 HE1 PHE 1 HE1 PHE 1 8.113 1.191 7.841
10 HE2 PHE 1 HE2 PHE 1 12.012 1.679 9.576
11 HZ PHE 1 HZ PHE 1 9.893 2.664 8.745
12 H PHE 2 HN PHE 2 11.802 -1.301 5.499
13 HA PHE 2 HA PHE 2 9.116 -1.396 4.281
14 HB2 PHE 2 HB2 PHE 2 9.960 0.810 5.067
15 HB3 PHE 2 HB1 PHE 2 11.309 0.667 3.943
16 HD1 PHE 2 HD1 PHE 2 10.013 2.992 3.379
17 HD2 PHE 2 HD2 PHE 2 8.623 -0.953 2.412
18 HE1 PHE 2 HE1 PHE 2 8.602 3.934 1.574
19 HE2 PHE 2 HE2 PHE 2 7.215 -0.014 0.599
20 HZ PHE 2 HZ PHE 2 7.202 2.431 0.183
21 H CYS 3 HN CYS 3 8.969 -2.687 2.561
22 HA CYS 3 HA CYS 3 11.145 -2.618 0.580
23 HB2 CYS 3 HB2 CYS 3 10.437 -4.863 2.187
24 HB3 CYS 3 HB1 CYS 3 9.929 -5.202 0.533
25 H VAL 4 HN VAL 4 10.418 -2.173 -1.412
26 HA VAL 4 HA VAL 4 7.538 -2.579 -1.945
27 HB VAL 4 HB VAL 4 7.793 -0.708 -3.598
28 HG11 VAL 4 HG11 VAL 4 7.163 -0.582 -1.014
29 HG12 VAL 4 HG12 VAL 4 7.324 0.880 -1.987
30 HG13 VAL 4 HG13 VAL 4 8.650 0.365 -0.945
31 HG21 VAL 4 HG21 VAL 4 10.532 -0.650 -2.327
32 HG22 VAL 4 HG22 VAL 4 9.832 0.788 -3.071
33 HG23 VAL 4 HG23 VAL 4 10.122 -0.656 -4.042
34 H GLN 5 HN GLN 5 7.016 -3.886 -3.566
35 HA GLN 5 HA GLN 5 7.264 -5.399 -5.286
36 HB2 GLN 5 HB2 GLN 5 9.171 -3.346 -6.414
37 HB3 GLN 5 HB1 GLN 5 8.127 -4.462 -7.298
38 HG2 GLN 5 HG2 GLN 5 7.147 -2.240 -5.481
39 HG3 GLN 5 HG1 GLN 5 7.192 -2.157 -7.243
40 HE21 GLN 5 HE21 GLN 5 5.003 -2.570 -4.876
41 HE22 GLN 5 HE22 GLN 5 3.944 -3.678 -5.616
42 H GLY 6 HN GLY 6 8.565 -6.618 -3.526
43 HA2 GLY 6 HA2 GLY 6 10.325 -8.011 -3.015
44 HA3 GLY 6 HA1 GLY 6 10.736 -7.921 -4.726
45 H DBB 7 HN DBB 7 10.832 -5.724 -1.907
46 HA DBB 7 HA DBB 7 13.593 -5.489 -1.687
47 HB2 DBB 7 HB2 DBB 7 11.342 -3.596 -1.051
48 HG1 DBB 7 HG1 DBB 7 12.790 -1.882 -0.855
49 HG2 DBB 7 HG2 DBB 7 14.108 -2.912 -1.410
50 HG3 DBB 7 HG3 DBB 7 13.721 -2.825 0.307
51 H ALA 8 HN ALA 8 11.454 -3.071 -3.214
52 HA ALA 8 HA ALA 8 13.652 -2.453 -5.094
53 HB1 ALA 8 HB1 ALA 8 11.138 -3.375 -5.728
54 HB2 ALA 8 HB2 ALA 8 12.199 -2.484 -6.819
55 HB3 ALA 8 HB3 ALA 8 10.957 -1.631 -5.904
56 H ASN 9 HN ASN 9 13.156 -1.278 -2.433
57 HA ASN 9 HA ASN 9 12.253 1.440 -3.086
58 HB2 ASN 9 HB2 ASN 9 11.425 0.318 -1.015
59 HB3 ASN 9 HB1 ASN 9 13.082 0.273 -0.418
60 HD21 ASN 9 HD21 ASN 9 11.188 1.695 1.077
61 HD22 ASN 9 HD22 ASN 9 11.482 3.366 0.930
62 H ARG 10 HN ARG 10 13.871 2.492 -4.149
63 HA ARG 10 HA ARG 10 16.612 2.311 -3.096
64 HB2 ARG 10 HB2 ARG 10 15.823 3.829 -5.562
65 HB3 ARG 10 HB1 ARG 10 17.358 3.057 -5.178
66 HG2 ARG 10 HG2 ARG 10 14.779 1.775 -6.060
67 HG3 ARG 10 HG1 ARG 10 16.392 1.590 -6.746
68 HD2 ARG 10 HD2 ARG 10 16.944 0.640 -4.331
69 HD3 ARG 10 HD1 ARG 10 15.210 0.325 -4.303
70 HE ARG 10 HE ARG 10 17.169 -1.110 -5.823
71 HH11 ARG 10 HH11 ARG 10 13.918 0.080 -5.830
72 HH12 ARG 10 HH12 ARG 10 13.325 -1.152 -6.895
73 HH21 ARG 10 HH21 ARG 10 16.398 -2.725 -7.219
74 HH22 ARG 10 HH22 ARG 10 14.729 -2.739 -7.681
75 H PHE 11 HN PHE 11 13.892 4.256 -2.895
76 HA PHE 11 HA PHE 11 15.338 6.769 -2.551
77 HB2 PHE 11 HB2 PHE 11 12.977 7.634 -2.113
78 HB3 PHE 11 HB1 PHE 11 13.281 6.992 -3.729
79 HD1 PHE 11 HD1 PHE 11 11.526 6.472 -0.553
80 HD2 PHE 11 HD2 PHE 11 12.469 4.754 -4.374
81 HE1 PHE 11 HE1 PHE 11 9.756 4.767 -0.225
82 HE2 PHE 11 HE2 PHE 11 10.704 3.050 -4.049
83 HZ PHE 11 HZ PHE 11 9.347 3.053 -1.973
84 H DBB 12 HN DBB 12 13.152 4.708 -0.650
85 HA DBB 12 HA DBB 12 12.631 4.789 1.609
86 HB2 DBB 12 HB2 DBB 12 13.351 6.445 3.028
87 HG1 DBB 12 HG1 DBB 12 15.937 5.903 1.821
88 HG2 DBB 12 HG2 DBB 12 15.561 6.542 3.420
89 HG3 DBB 12 HG3 DBB 12 15.675 7.633 2.039
90 H ILE 13 HN ILE 13 14.038 2.809 0.416
91 HA ILE 13 HA ILE 13 15.438 1.034 0.837
92 HB ILE 13 HB ILE 13 17.120 2.784 2.609
93 HG12 ILE 13 HG12 ILE 13 16.549 4.141 0.623
94 HG13 ILE 13 HG11 ILE 13 18.238 3.637 0.570
95 HG21 ILE 13 HG21 ILE 13 17.321 0.204 1.413
96 HG22 ILE 13 HG22 ILE 13 18.531 1.044 2.383
97 HG23 ILE 13 HG23 ILE 13 18.510 1.243 0.630
98 HD11 ILE 13 HD11 ILE 13 17.770 2.863 -1.502
99 HD12 ILE 13 HD12 ILE 13 16.030 2.955 -1.230
100 HD13 ILE 13 HD13 ILE 13 16.935 1.544 -0.681
101 H ASN 14 HN ASN 14 13.760 2.729 3.176
102 HA ASN 14 HA ASN 14 13.364 0.457 4.833
103 HB2 ASN 14 HB2 ASN 14 15.248 2.604 5.784
104 HB3 ASN 14 HB1 ASN 14 14.290 1.664 6.926
105 HD21 ASN 14 HD21 ASN 14 14.372 -0.837 5.377
106 HD22 ASN 14 HD22 ASN 14 15.964 -1.417 5.476
107 H VAL 15 HN VAL 15 13.179 3.927 4.351
108 HA VAL 15 HA VAL 15 10.435 4.150 4.642
109 HB VAL 15 HB VAL 15 10.679 3.471 6.959
110 HG11 VAL 15 HG11 VAL 15 13.123 4.279 7.030
111 HG12 VAL 15 HG12 VAL 15 12.161 4.522 8.488
112 HG13 VAL 15 HG13 VAL 15 12.461 5.872 7.393
113 HG21 VAL 15 HG21 VAL 15 10.336 6.276 7.592
114 HG22 VAL 15 HG22 VAL 15 9.121 4.999 7.527
115 HG23 VAL 15 HG23 VAL 15 9.541 5.893 6.065
116 H CYS 16 HN CYS 16 10.563 5.690 3.068
117 HA CYS 16 HA CYS 16 12.301 8.014 3.480
118 HB2 CYS 16 HB2 CYS 16 11.107 6.675 1.176
119 HB3 CYS 16 HB1 CYS 16 10.909 8.426 1.122
Start of MODEL 6
1 H1 PHE 1 HT1 PHE 1 13.018 -1.320 6.975
2 H2 PHE 1 HT2 PHE 1 13.635 -2.406 8.126
3 H3 PHE 1 HT3 PHE 1 12.003 -1.937 8.184
4 HA PHE 1 HA PHE 1 13.261 -3.495 5.993
5 HB2 PHE 1 HB2 PHE 1 13.093 -4.840 8.014
6 HB3 PHE 1 HB1 PHE 1 11.427 -4.313 8.266
7 HD1 PHE 1 HD1 PHE 1 13.597 -5.971 5.694
8 HD2 PHE 1 HD2 PHE 1 9.673 -5.589 7.398
9 HE1 PHE 1 HE1 PHE 1 12.788 -7.814 4.245
10 HE2 PHE 1 HE2 PHE 1 8.864 -7.430 5.949
11 HZ PHE 1 HZ PHE 1 10.421 -8.543 4.372
12 H PHE 2 HN PHE 2 12.194 -1.510 4.888
13 HA PHE 2 HA PHE 2 9.313 -2.040 4.487
14 HB2 PHE 2 HB2 PHE 2 9.516 0.192 5.221
15 HB3 PHE 2 HB1 PHE 2 10.959 0.471 4.245
16 HD1 PHE 2 HD1 PHE 2 8.002 -1.357 2.994
17 HD2 PHE 2 HD2 PHE 2 10.094 2.394 3.056
18 HE1 PHE 2 HE1 PHE 2 6.594 -0.540 1.121
19 HE2 PHE 2 HE2 PHE 2 8.687 3.212 1.189
20 HZ PHE 2 HZ PHE 2 6.935 1.747 0.222
21 H CYS 3 HN CYS 3 8.771 -2.964 2.631
22 HA CYS 3 HA CYS 3 10.515 -2.527 0.290
23 HB2 CYS 3 HB2 CYS 3 9.446 -5.055 1.441
24 HB3 CYS 3 HB1 CYS 3 9.487 -4.919 -0.317
25 H VAL 4 HN VAL 4 9.519 -2.033 -1.600
26 HA VAL 4 HA VAL 4 6.588 -1.708 -1.488
27 HB VAL 4 HB VAL 4 7.173 -0.236 -3.594
28 HG11 VAL 4 HG11 VAL 4 6.773 1.494 -2.179
29 HG12 VAL 4 HG12 VAL 4 8.188 1.123 -1.194
30 HG13 VAL 4 HG13 VAL 4 6.673 0.261 -0.922
31 HG21 VAL 4 HG21 VAL 4 9.399 0.713 -3.518
32 HG22 VAL 4 HG22 VAL 4 9.570 -1.043 -3.562
33 HG23 VAL 4 HG23 VAL 4 9.776 -0.174 -2.040
34 H GLN 5 HN GLN 5 8.991 -3.662 -2.805
35 HA GLN 5 HA GLN 5 7.371 -5.406 -4.149
36 HB2 GLN 5 HB2 GLN 5 7.840 -4.685 -6.575
37 HB3 GLN 5 HB1 GLN 5 6.582 -3.816 -5.696
38 HG2 GLN 5 HG2 GLN 5 8.183 -2.031 -5.145
39 HG3 GLN 5 HG1 GLN 5 9.458 -2.901 -5.997
40 HE21 GLN 5 HE21 GLN 5 9.816 -1.689 -7.879
41 HE22 GLN 5 HE22 GLN 5 8.587 -1.198 -8.951
42 H GLY 6 HN GLY 6 9.010 -6.725 -3.259
43 HA2 GLY 6 HA2 GLY 6 10.825 -8.132 -3.534
44 HA3 GLY 6 HA1 GLY 6 11.137 -7.353 -5.082
45 H DBB 7 HN DBB 7 10.814 -5.316 -2.327
46 HA DBB 7 HA DBB 7 13.523 -5.311 -1.448
47 HB2 DBB 7 HB2 DBB 7 11.259 -3.337 -1.155
48 HG1 DBB 7 HG1 DBB 7 13.241 -2.827 0.781
49 HG2 DBB 7 HG2 DBB 7 12.784 -1.785 -0.565
50 HG3 DBB 7 HG3 DBB 7 14.101 -2.942 -0.755
51 H ALA 8 HN ALA 8 11.661 -3.120 -3.547
52 HA ALA 8 HA ALA 8 14.186 -2.310 -4.836
53 HB1 ALA 8 HB1 ALA 8 11.397 -1.835 -5.883
54 HB2 ALA 8 HB2 ALA 8 12.278 -3.331 -6.189
55 HB3 ALA 8 HB3 ALA 8 12.917 -1.796 -6.776
56 H ASN 9 HN ASN 9 13.213 -1.241 -2.283
57 HA ASN 9 HA ASN 9 12.375 1.489 -2.944
58 HB2 ASN 9 HB2 ASN 9 11.281 0.311 -1.066
59 HB3 ASN 9 HB1 ASN 9 12.842 0.169 -0.265
60 HD21 ASN 9 HD21 ASN 9 11.762 1.476 1.500
61 HD22 ASN 9 HD22 ASN 9 11.705 3.168 1.333
62 H ARG 10 HN ARG 10 14.490 1.841 -4.050
63 HA ARG 10 HA ARG 10 16.917 1.904 -2.553
64 HB2 ARG 10 HB2 ARG 10 16.457 3.658 -4.937
65 HB3 ARG 10 HB1 ARG 10 17.894 2.749 -4.480
66 HG2 ARG 10 HG2 ARG 10 15.363 1.748 -5.767
67 HG3 ARG 10 HG1 ARG 10 17.032 1.499 -6.274
68 HD2 ARG 10 HD2 ARG 10 17.172 0.309 -3.881
69 HD3 ARG 10 HD1 ARG 10 15.450 0.080 -4.181
70 HE ARG 10 HE ARG 10 17.551 -1.359 -5.426
71 HH11 ARG 10 HH11 ARG 10 14.554 0.235 -6.094
72 HH12 ARG 10 HH12 ARG 10 14.155 -0.780 -7.439
73 HH21 ARG 10 HH21 ARG 10 17.032 -2.700 -7.183
74 HH22 ARG 10 HH22 ARG 10 15.556 -2.445 -8.054
75 H PHE 11 HN PHE 11 14.490 4.319 -3.392
76 HA PHE 11 HA PHE 11 15.820 6.586 -2.384
77 HB2 PHE 11 HB2 PHE 11 13.501 7.565 -2.311
78 HB3 PHE 11 HB1 PHE 11 13.954 6.859 -3.863
79 HD1 PHE 11 HD1 PHE 11 11.753 6.592 -0.955
80 HD2 PHE 11 HD2 PHE 11 13.106 4.612 -4.516
81 HE1 PHE 11 HE1 PHE 11 9.822 5.043 -0.828
82 HE2 PHE 11 HE2 PHE 11 11.178 3.065 -4.394
83 HZ PHE 11 HZ PHE 11 9.536 3.275 -2.550
84 H DBB 12 HN DBB 12 13.275 4.587 -0.875
85 HA DBB 12 HA DBB 12 12.429 4.688 1.289
86 HB2 DBB 12 HB2 DBB 12 13.033 6.277 2.828
87 HG1 DBB 12 HG1 DBB 12 15.557 7.308 2.219
88 HG2 DBB 12 HG2 DBB 12 15.727 5.565 2.012
89 HG3 DBB 12 HG3 DBB 12 15.158 6.219 3.548
90 H ILE 13 HN ILE 13 14.035 2.694 0.209
91 HA ILE 13 HA ILE 13 15.024 0.741 0.954
92 HB ILE 13 HB ILE 13 16.888 2.792 2.172
93 HG12 ILE 13 HG12 ILE 13 17.253 1.325 -0.436
94 HG13 ILE 13 HG11 ILE 13 16.317 2.820 -0.371
95 HG21 ILE 13 HG21 ILE 13 18.261 0.484 1.318
96 HG22 ILE 13 HG22 ILE 13 16.849 -0.106 2.195
97 HG23 ILE 13 HG23 ILE 13 17.981 0.994 2.983
98 HD11 ILE 13 HD11 ILE 13 18.199 4.022 0.571
99 HD12 ILE 13 HD12 ILE 13 18.729 3.205 -0.900
100 HD13 ILE 13 HD13 ILE 13 19.142 2.534 0.679
101 H ASN 14 HN ASN 14 13.160 2.379 2.862
102 HA ASN 14 HA ASN 14 12.887 0.525 4.895
103 HB2 ASN 14 HB2 ASN 14 15.215 2.097 5.302
104 HB3 ASN 14 HB1 ASN 14 14.017 2.627 6.482
105 HD21 ASN 14 HD21 ASN 14 16.161 0.018 5.600
106 HD22 ASN 14 HD22 ASN 14 15.751 -1.013 6.885
107 H VAL 15 HN VAL 15 12.900 3.994 4.206
108 HA VAL 15 HA VAL 15 10.145 4.354 4.376
109 HB VAL 15 HB VAL 15 10.315 3.777 6.735
110 HG11 VAL 15 HG11 VAL 15 12.097 6.156 7.191
111 HG12 VAL 15 HG12 VAL 15 12.807 4.605 6.745
112 HG13 VAL 15 HG13 VAL 15 11.845 4.743 8.217
113 HG21 VAL 15 HG21 VAL 15 8.915 5.458 7.376
114 HG22 VAL 15 HG22 VAL 15 9.117 6.024 5.718
115 HG23 VAL 15 HG23 VAL 15 10.102 6.711 7.010
116 H CYS 16 HN CYS 16 10.296 5.856 2.790
117 HA CYS 16 HA CYS 16 12.135 8.124 3.174
118 HB2 CYS 16 HB2 CYS 16 11.075 6.703 0.838
119 HB3 CYS 16 HB1 CYS 16 11.025 8.460 0.686
Start of MODEL 7
1 H1 PHE 1 HT1 PHE 1 13.030 -3.197 7.428
2 H2 PHE 1 HT2 PHE 1 12.638 -1.574 7.115
3 H3 PHE 1 HT3 PHE 1 12.709 -2.696 5.841
4 HA PHE 1 HA PHE 1 10.868 -3.941 7.003
5 HB2 PHE 1 HB2 PHE 1 11.097 -2.844 9.179
6 HB3 PHE 1 HB1 PHE 1 10.752 -1.276 8.448
7 HD1 PHE 1 HD1 PHE 1 9.304 -4.696 8.914
8 HD2 PHE 1 HD2 PHE 1 8.534 -0.523 8.244
9 HE1 PHE 1 HE1 PHE 1 6.872 -5.100 9.187
10 HE2 PHE 1 HE2 PHE 1 6.102 -0.928 8.517
11 HZ PHE 1 HZ PHE 1 5.272 -3.217 8.989
12 H PHE 2 HN PHE 2 11.858 -1.433 5.121
13 HA PHE 2 HA PHE 2 9.146 -0.970 4.032
14 HB2 PHE 2 HB2 PHE 2 10.272 1.069 4.908
15 HB3 PHE 2 HB1 PHE 2 11.582 0.803 3.759
16 HD1 PHE 2 HD1 PHE 2 10.545 3.305 3.336
17 HD2 PHE 2 HD2 PHE 2 8.750 -0.418 2.168
18 HE1 PHE 2 HE1 PHE 2 9.252 4.481 1.587
19 HE2 PHE 2 HE2 PHE 2 7.454 0.758 0.411
20 HZ PHE 2 HZ PHE 2 7.705 3.207 0.117
21 H CYS 3 HN CYS 3 9.186 -2.789 2.661
22 HA CYS 3 HA CYS 3 11.182 -2.644 0.490
23 HB2 CYS 3 HB2 CYS 3 10.236 -4.856 2.078
24 HB3 CYS 3 HB1 CYS 3 9.869 -5.134 0.375
25 H VAL 4 HN VAL 4 10.479 -2.241 -1.519
26 HA VAL 4 HA VAL 4 7.572 -2.444 -2.032
27 HB VAL 4 HB VAL 4 7.851 -0.536 -3.593
28 HG11 VAL 4 HG11 VAL 4 7.035 0.147 -1.505
29 HG12 VAL 4 HG12 VAL 4 8.462 1.164 -1.705
30 HG13 VAL 4 HG13 VAL 4 8.535 -0.266 -0.674
31 HG21 VAL 4 HG21 VAL 4 10.110 0.761 -2.949
32 HG22 VAL 4 HG22 VAL 4 10.045 -0.392 -4.282
33 HG23 VAL 4 HG23 VAL 4 10.679 -0.892 -2.714
34 H GLN 5 HN GLN 5 7.006 -3.697 -3.699
35 HA GLN 5 HA GLN 5 7.182 -5.120 -5.498
36 HB2 GLN 5 HB2 GLN 5 9.439 -3.507 -6.600
37 HB3 GLN 5 HB1 GLN 5 8.007 -4.142 -7.413
38 HG2 GLN 5 HG2 GLN 5 8.044 -1.835 -5.442
39 HG3 GLN 5 HG1 GLN 5 7.864 -1.692 -7.190
40 HE21 GLN 5 HE21 GLN 5 5.957 -1.163 -4.769
41 HE22 GLN 5 HE22 GLN 5 4.523 -1.958 -5.233
42 H GLY 6 HN GLY 6 8.387 -6.265 -3.449
43 HA2 GLY 6 HA2 GLY 6 9.912 -7.904 -2.910
44 HA3 GLY 6 HA1 GLY 6 10.357 -7.934 -4.612
45 H DBB 7 HN DBB 7 10.714 -5.737 -1.814
46 HA DBB 7 HA DBB 7 13.462 -5.818 -1.562
47 HB2 DBB 7 HB2 DBB 7 11.470 -3.619 -1.056
48 HG1 DBB 7 HG1 DBB 7 13.149 -2.116 -1.009
49 HG2 DBB 7 HG2 DBB 7 14.345 -3.373 -1.328
50 HG3 DBB 7 HG3 DBB 7 13.847 -3.028 0.328
51 H ALA 8 HN ALA 8 12.215 -2.750 -2.668
52 HA ALA 8 HA ALA 8 14.457 -2.262 -4.344
53 HB1 ALA 8 HB1 ALA 8 13.790 -3.141 -6.291
54 HB2 ALA 8 HB2 ALA 8 12.372 -2.092 -6.258
55 HB3 ALA 8 HB3 ALA 8 12.293 -3.704 -5.546
56 H ASN 9 HN ASN 9 13.362 -0.829 -2.278
57 HA ASN 9 HA ASN 9 11.793 1.332 -3.504
58 HB2 ASN 9 HB2 ASN 9 11.382 2.107 -1.256
59 HB3 ASN 9 HB1 ASN 9 11.086 0.371 -1.293
60 HD21 ASN 9 HD21 ASN 9 11.568 1.176 1.199
61 HD22 ASN 9 HD22 ASN 9 13.170 0.868 1.690
62 H ARG 10 HN ARG 10 14.281 1.268 -4.554
63 HA ARG 10 HA ARG 10 16.329 2.617 -3.226
64 HB2 ARG 10 HB2 ARG 10 15.587 2.129 -6.055
65 HB3 ARG 10 HB1 ARG 10 16.708 3.460 -5.760
66 HG2 ARG 10 HG2 ARG 10 17.764 1.150 -6.112
67 HG3 ARG 10 HG1 ARG 10 18.278 2.031 -4.671
68 HD2 ARG 10 HD2 ARG 10 16.706 0.770 -3.293
69 HD3 ARG 10 HD1 ARG 10 16.077 -0.053 -4.718
70 HE ARG 10 HE ARG 10 18.635 -0.569 -3.399
71 HH11 ARG 10 HH11 ARG 10 16.526 -1.029 -6.102
72 HH12 ARG 10 HH12 ARG 10 17.308 -2.477 -6.642
73 HH21 ARG 10 HH21 ARG 10 19.658 -2.476 -4.095
74 HH22 ARG 10 HH22 ARG 10 19.080 -3.296 -5.506
75 H PHE 11 HN PHE 11 15.228 4.195 -1.956
76 HA PHE 11 HA PHE 11 15.469 6.808 -2.716
77 HB2 PHE 11 HB2 PHE 11 13.084 7.474 -3.176
78 HB3 PHE 11 HB1 PHE 11 13.827 6.520 -4.461
79 HD1 PHE 11 HD1 PHE 11 12.097 5.853 -1.196
80 HD2 PHE 11 HD2 PHE 11 12.474 4.847 -5.354
81 HE1 PHE 11 HE1 PHE 11 10.327 4.139 -0.938
82 HE2 PHE 11 HE2 PHE 11 10.700 3.132 -5.099
83 HZ PHE 11 HZ PHE 11 9.627 2.777 -2.891
84 H DBB 12 HN DBB 12 14.644 4.463 -0.604
85 HA DBB 12 HA DBB 12 12.806 5.302 1.202
86 HB2 DBB 12 HB2 DBB 12 14.502 6.480 2.856
87 HG1 DBB 12 HG1 DBB 12 16.304 7.503 1.920
88 HG2 DBB 12 HG2 DBB 12 15.415 7.937 0.461
89 HG3 DBB 12 HG3 DBB 12 16.092 6.318 0.632
90 H ILE 13 HN ILE 13 14.284 3.001 0.332
91 HA ILE 13 HA ILE 13 14.874 0.988 1.277
92 HB ILE 13 HB ILE 13 16.938 2.123 3.012
93 HG12 ILE 13 HG12 ILE 13 16.835 4.010 1.477
94 HG13 ILE 13 HG11 ILE 13 18.252 3.042 1.075
95 HG21 ILE 13 HG21 ILE 13 17.175 0.510 0.464
96 HG22 ILE 13 HG22 ILE 13 16.762 -0.213 2.019
97 HG23 ILE 13 HG23 ILE 13 18.319 0.587 1.804
98 HD11 ILE 13 HD11 ILE 13 15.805 2.194 -0.318
99 HD12 ILE 13 HD12 ILE 13 17.424 2.476 -0.959
100 HD13 ILE 13 HD13 ILE 13 16.321 3.831 -0.719
101 H ASN 14 HN ASN 14 15.822 2.928 4.094
102 HA ASN 14 HA ASN 14 14.842 1.173 5.999
103 HB2 ASN 14 HB2 ASN 14 15.220 4.166 6.087
104 HB3 ASN 14 HB1 ASN 14 14.750 3.226 7.502
105 HD21 ASN 14 HD21 ASN 14 16.437 0.873 6.510
106 HD22 ASN 14 HD22 ASN 14 18.032 1.323 6.868
107 H VAL 15 HN VAL 15 13.276 4.322 5.449
108 HA VAL 15 HA VAL 15 10.680 3.119 5.059
109 HB VAL 15 HB VAL 15 10.917 4.850 7.501
110 HG11 VAL 15 HG11 VAL 15 8.938 3.009 7.894
111 HG12 VAL 15 HG12 VAL 15 8.900 3.172 6.138
112 HG13 VAL 15 HG13 VAL 15 8.679 4.592 7.162
113 HG21 VAL 15 HG21 VAL 15 11.096 2.841 8.885
114 HG22 VAL 15 HG22 VAL 15 12.472 2.913 7.785
115 HG23 VAL 15 HG23 VAL 15 11.129 1.821 7.447
116 H CYS 16 HN CYS 16 11.612 4.604 3.193
117 HA CYS 16 HA CYS 16 10.113 7.084 3.377
118 HB2 CYS 16 HB2 CYS 16 11.831 8.496 3.638
119 HB3 CYS 16 HB1 CYS 16 12.882 7.107 3.900
Start of MODEL 8
1 H1 PHE 1 HT1 PHE 1 11.945 -1.458 7.571
2 H2 PHE 1 HT2 PHE 1 13.286 -2.234 6.873
3 H3 PHE 1 HT3 PHE 1 12.869 -2.545 8.490
4 HA PHE 1 HA PHE 1 12.220 -4.222 6.626
5 HB2 PHE 1 HB2 PHE 1 10.265 -4.865 7.994
6 HB3 PHE 1 HB1 PHE 1 11.637 -4.429 9.013
7 HD1 PHE 1 HD1 PHE 1 8.332 -3.359 7.765
8 HD2 PHE 1 HD2 PHE 1 11.632 -2.393 10.340
9 HE1 PHE 1 HE1 PHE 1 6.963 -1.607 8.863
10 HE2 PHE 1 HE2 PHE 1 10.261 -0.641 11.439
11 HZ PHE 1 HZ PHE 1 7.927 -0.248 10.699
12 H PHE 2 HN PHE 2 11.977 -1.774 5.238
13 HA PHE 2 HA PHE 2 9.143 -1.825 4.389
14 HB2 PHE 2 HB2 PHE 2 9.601 0.361 5.178
15 HB3 PHE 2 HB1 PHE 2 11.182 0.397 4.398
16 HD1 PHE 2 HD1 PHE 2 8.037 -0.890 2.897
17 HD2 PHE 2 HD2 PHE 2 10.908 2.304 2.977
18 HE1 PHE 2 HE1 PHE 2 7.012 0.082 0.860
19 HE2 PHE 2 HE2 PHE 2 9.883 3.276 0.938
20 HZ PHE 2 HZ PHE 2 7.935 2.165 -0.120
21 H CYS 3 HN CYS 3 8.777 -2.697 2.461
22 HA CYS 3 HA CYS 3 10.762 -2.379 0.324
23 HB2 CYS 3 HB2 CYS 3 10.032 -4.918 1.641
24 HB3 CYS 3 HB1 CYS 3 9.997 -4.951 -0.122
25 H VAL 4 HN VAL 4 9.502 -1.200 -1.027
26 HA VAL 4 HA VAL 4 6.708 -1.513 -1.349
27 HB VAL 4 HB VAL 4 7.286 -0.302 -3.615
28 HG11 VAL 4 HG11 VAL 4 8.071 1.650 -1.745
29 HG12 VAL 4 HG12 VAL 4 7.034 0.536 -0.852
30 HG13 VAL 4 HG13 VAL 4 6.432 1.324 -2.310
31 HG21 VAL 4 HG21 VAL 4 9.781 0.402 -2.098
32 HG22 VAL 4 HG22 VAL 4 9.442 0.566 -3.820
33 HG23 VAL 4 HG23 VAL 4 9.781 -1.024 -3.136
34 H GLN 5 HN GLN 5 9.475 -2.757 -3.192
35 HA GLN 5 HA GLN 5 7.730 -4.850 -4.285
36 HB2 GLN 5 HB2 GLN 5 9.575 -3.160 -5.989
37 HB3 GLN 5 HB1 GLN 5 8.612 -4.529 -6.544
38 HG2 GLN 5 HG2 GLN 5 7.466 -2.015 -5.296
39 HG3 GLN 5 HG1 GLN 5 7.529 -2.332 -7.028
40 HE21 GLN 5 HE21 GLN 5 5.289 -2.286 -4.732
41 HE22 GLN 5 HE22 GLN 5 4.349 -3.637 -5.153
42 H GLY 6 HN GLY 6 8.693 -6.538 -3.281
43 HA2 GLY 6 HA2 GLY 6 10.371 -7.942 -2.509
44 HA3 GLY 6 HA1 GLY 6 10.910 -7.818 -4.181
45 H DBB 7 HN DBB 7 10.865 -4.903 -2.369
46 HA DBB 7 HA DBB 7 13.670 -5.137 -1.567
47 HB2 DBB 7 HB2 DBB 7 11.526 -3.072 -1.066
48 HG1 DBB 7 HG1 DBB 7 13.353 -1.649 -1.189
49 HG2 DBB 7 HG2 DBB 7 14.502 -2.918 -0.765
50 HG3 DBB 7 HG3 DBB 7 13.495 -2.186 0.484
51 H ALA 8 HN ALA 8 11.613 -3.056 -3.597
52 HA ALA 8 HA ALA 8 14.024 -2.345 -5.148
53 HB1 ALA 8 HB1 ALA 8 11.537 -3.350 -5.971
54 HB2 ALA 8 HB2 ALA 8 12.816 -2.706 -7.001
55 HB3 ALA 8 HB3 ALA 8 11.527 -1.646 -6.428
56 H ASN 9 HN ASN 9 13.595 -0.966 -2.775
57 HA ASN 9 HA ASN 9 12.087 1.421 -3.099
58 HB2 ASN 9 HB2 ASN 9 14.340 0.633 -1.254
59 HB3 ASN 9 HB1 ASN 9 13.597 2.231 -1.201
60 HD21 ASN 9 HD21 ASN 9 12.807 1.633 1.016
61 HD22 ASN 9 HD22 ASN 9 11.434 0.647 1.167
62 H ARG 10 HN ARG 10 15.582 1.472 -2.577
63 HA ARG 10 HA ARG 10 17.280 2.588 -3.658
64 HB2 ARG 10 HB2 ARG 10 15.231 2.524 -5.869
65 HB3 ARG 10 HB1 ARG 10 16.783 3.341 -6.061
66 HG2 ARG 10 HG2 ARG 10 17.282 1.199 -6.847
67 HG3 ARG 10 HG1 ARG 10 17.768 1.079 -5.156
68 HD2 ARG 10 HD2 ARG 10 15.573 0.104 -4.592
69 HD3 ARG 10 HD1 ARG 10 15.089 0.219 -6.281
70 HE ARG 10 HE ARG 10 16.432 -1.632 -6.750
71 HH11 ARG 10 HH11 ARG 10 17.033 -0.378 -3.582
72 HH12 ARG 10 HH12 ARG 10 18.007 -1.721 -3.084
73 HH21 ARG 10 HH21 ARG 10 17.708 -3.397 -6.105
74 HH22 ARG 10 HH22 ARG 10 18.389 -3.431 -4.513
75 H PHE 11 HN PHE 11 14.712 3.867 -2.342
76 HA PHE 11 HA PHE 11 15.679 6.600 -2.663
77 HB2 PHE 11 HB2 PHE 11 13.419 7.485 -3.128
78 HB3 PHE 11 HB1 PHE 11 13.990 6.437 -4.426
79 HD1 PHE 11 HD1 PHE 11 11.814 6.571 -1.412
80 HD2 PHE 11 HD2 PHE 11 12.866 4.403 -4.968
81 HE1 PHE 11 HE1 PHE 11 9.833 5.111 -1.109
82 HE2 PHE 11 HE2 PHE 11 10.885 2.944 -4.665
83 HZ PHE 11 HZ PHE 11 9.368 3.298 -2.735
84 H DBB 12 HN DBB 12 14.130 4.112 -0.921
85 HA DBB 12 HA DBB 12 12.667 5.356 1.045
86 HB2 DBB 12 HB2 DBB 12 14.728 5.341 2.791
87 HG1 DBB 12 HG1 DBB 12 16.071 5.041 0.424
88 HG2 DBB 12 HG2 DBB 12 16.762 5.790 1.864
89 HG3 DBB 12 HG3 DBB 12 16.065 6.797 0.594
90 H ILE 13 HN ILE 13 15.501 3.232 0.746
91 HA ILE 13 HA ILE 13 14.315 0.791 0.970
92 HB ILE 13 HB ILE 13 16.842 1.276 2.512
93 HG12 ILE 13 HG12 ILE 13 17.807 1.000 0.018
94 HG13 ILE 13 HG11 ILE 13 16.311 1.851 -0.367
95 HG21 ILE 13 HG21 ILE 13 17.402 -0.881 1.763
96 HG22 ILE 13 HG22 ILE 13 16.282 -0.801 0.403
97 HG23 ILE 13 HG23 ILE 13 15.665 -1.002 2.042
98 HD11 ILE 13 HD11 ILE 13 18.698 2.802 1.136
99 HD12 ILE 13 HD12 ILE 13 17.125 3.359 1.705
100 HD13 ILE 13 HD13 ILE 13 17.629 3.686 0.047
101 H ASN 14 HN ASN 14 14.669 3.163 3.467
102 HA ASN 14 HA ASN 14 13.449 1.277 5.393
103 HB2 ASN 14 HB2 ASN 14 14.621 2.422 7.190
104 HB3 ASN 14 HB1 ASN 14 15.788 1.857 5.995
105 HD21 ASN 14 HD21 ASN 14 16.820 3.849 7.454
106 HD22 ASN 14 HD22 ASN 14 16.763 5.343 6.651
107 H VAL 15 HN VAL 15 11.419 2.101 4.452
108 HA VAL 15 HA VAL 15 9.642 3.581 4.314
109 HB VAL 15 HB VAL 15 10.410 4.289 7.141
110 HG11 VAL 15 HG11 VAL 15 8.381 5.270 5.902
111 HG12 VAL 15 HG12 VAL 15 8.062 4.504 7.459
112 HG13 VAL 15 HG13 VAL 15 7.703 3.642 5.962
113 HG21 VAL 15 HG21 VAL 15 9.613 2.199 7.919
114 HG22 VAL 15 HG22 VAL 15 10.644 1.777 6.551
115 HG23 VAL 15 HG23 VAL 15 8.890 1.798 6.361
116 H CYS 16 HN CYS 16 11.036 4.923 2.826
117 HA CYS 16 HA CYS 16 10.929 7.674 3.703
118 HB2 CYS 16 HB2 CYS 16 13.094 8.017 4.159
119 HB3 CYS 16 HB1 CYS 16 13.374 6.283 3.998
Start of MODEL 9
1 H1 PHE 1 HT1 PHE 1 11.580 -1.354 8.178
2 H2 PHE 1 HT2 PHE 1 13.103 -2.000 8.564
3 H3 PHE 1 HT3 PHE 1 11.696 -2.672 9.239
4 HA PHE 1 HA PHE 1 12.918 -3.141 6.674
5 HB2 PHE 1 HB2 PHE 1 12.608 -4.900 8.347
6 HB3 PHE 1 HB1 PHE 1 10.871 -4.598 8.373
7 HD1 PHE 1 HD1 PHE 1 13.661 -5.511 6.049
8 HD2 PHE 1 HD2 PHE 1 9.454 -5.736 6.886
9 HE1 PHE 1 HE1 PHE 1 13.362 -7.053 4.130
10 HE2 PHE 1 HE2 PHE 1 9.155 -7.277 4.966
11 HZ PHE 1 HZ PHE 1 11.109 -7.936 3.588
12 H PHE 2 HN PHE 2 12.081 -1.660 5.198
13 HA PHE 2 HA PHE 2 9.197 -1.971 4.621
14 HB2 PHE 2 HB2 PHE 2 9.474 0.241 5.522
15 HB3 PHE 2 HB1 PHE 2 10.881 0.538 4.502
16 HD1 PHE 2 HD1 PHE 2 7.851 -1.255 3.368
17 HD2 PHE 2 HD2 PHE 2 10.005 2.460 3.330
18 HE1 PHE 2 HE1 PHE 2 6.369 -0.413 1.564
19 HE2 PHE 2 HE2 PHE 2 8.522 3.302 1.530
20 HZ PHE 2 HZ PHE 2 6.704 1.867 0.649
21 H CYS 3 HN CYS 3 9.661 -3.579 3.064
22 HA CYS 3 HA CYS 3 11.293 -2.739 0.768
23 HB2 CYS 3 HB2 CYS 3 10.804 -5.259 2.067
24 HB3 CYS 3 HB1 CYS 3 10.314 -5.361 0.377
25 H VAL 4 HN VAL 4 10.406 -2.198 -1.133
26 HA VAL 4 HA VAL 4 7.525 -2.746 -1.513
27 HB VAL 4 HB VAL 4 7.477 -0.634 -2.857
28 HG11 VAL 4 HG11 VAL 4 8.449 0.318 -0.249
29 HG12 VAL 4 HG12 VAL 4 7.278 -0.997 -0.137
30 HG13 VAL 4 HG13 VAL 4 6.856 0.490 -0.987
31 HG21 VAL 4 HG21 VAL 4 9.467 0.936 -2.145
32 HG22 VAL 4 HG22 VAL 4 9.685 -0.186 -3.489
33 HG23 VAL 4 HG23 VAL 4 10.326 -0.583 -1.895
34 H GLN 5 HN GLN 5 7.007 -3.841 -3.292
35 HA GLN 5 HA GLN 5 7.297 -5.088 -5.212
36 HB2 GLN 5 HB2 GLN 5 8.915 -2.785 -6.262
37 HB3 GLN 5 HB1 GLN 5 7.726 -3.782 -7.100
38 HG2 GLN 5 HG2 GLN 5 7.081 -1.851 -4.853
39 HG3 GLN 5 HG1 GLN 5 6.851 -1.510 -6.567
40 HE21 GLN 5 HE21 GLN 5 5.050 -2.278 -3.979
41 HE22 GLN 5 HE22 GLN 5 3.873 -3.279 -4.696
42 H GLY 6 HN GLY 6 8.888 -6.338 -3.711
43 HA2 GLY 6 HA2 GLY 6 10.820 -7.583 -3.564
44 HA3 GLY 6 HA1 GLY 6 11.095 -7.163 -5.252
45 H DBB 7 HN DBB 7 11.282 -5.686 -2.005
46 HA DBB 7 HA DBB 7 13.925 -5.093 -1.855
47 HB2 DBB 7 HB2 DBB 7 11.531 -3.501 -0.966
48 HG1 DBB 7 HG1 DBB 7 14.222 -2.529 -1.277
49 HG2 DBB 7 HG2 DBB 7 13.847 -2.658 0.442
50 HG3 DBB 7 HG3 DBB 7 12.820 -1.689 -0.614
51 H ALA 8 HN ALA 8 11.480 -2.973 -3.361
52 HA ALA 8 HA ALA 8 13.617 -1.848 -5.055
53 HB1 ALA 8 HB1 ALA 8 12.159 -2.297 -6.703
54 HB2 ALA 8 HB2 ALA 8 11.159 -0.995 -6.060
55 HB3 ALA 8 HB3 ALA 8 10.873 -2.658 -5.553
56 H ASN 9 HN ASN 9 12.606 -1.118 -2.224
57 HA ASN 9 HA ASN 9 11.389 1.428 -2.356
58 HB2 ASN 9 HB2 ASN 9 11.576 -0.060 -0.316
59 HB3 ASN 9 HB1 ASN 9 13.247 0.480 -0.183
60 HD21 ASN 9 HD21 ASN 9 11.832 1.200 1.979
61 HD22 ASN 9 HD22 ASN 9 11.352 2.833 1.921
62 H ARG 10 HN ARG 10 14.743 0.389 -2.515
63 HA ARG 10 HA ARG 10 16.701 1.666 -2.592
64 HB2 ARG 10 HB2 ARG 10 14.900 2.308 -4.856
65 HB3 ARG 10 HB1 ARG 10 16.320 3.335 -4.656
66 HG2 ARG 10 HG2 ARG 10 17.163 1.616 -5.996
67 HG3 ARG 10 HG1 ARG 10 17.588 1.053 -4.379
68 HD2 ARG 10 HD2 ARG 10 15.554 -0.333 -4.319
69 HD3 ARG 10 HD1 ARG 10 15.112 0.236 -5.926
70 HE ARG 10 HE ARG 10 17.726 -1.047 -5.690
71 HH11 ARG 10 HH11 ARG 10 14.365 -1.257 -6.484
72 HH12 ARG 10 HH12 ARG 10 14.540 -2.685 -7.448
73 HH21 ARG 10 HH21 ARG 10 17.963 -2.923 -6.949
74 HH22 ARG 10 HH22 ARG 10 16.577 -3.628 -7.713
75 H PHE 11 HN PHE 11 14.805 4.325 -3.831
76 HA PHE 11 HA PHE 11 15.945 6.394 -2.586
77 HB2 PHE 11 HB2 PHE 11 13.686 7.511 -2.517
78 HB3 PHE 11 HB1 PHE 11 14.093 6.776 -4.068
79 HD1 PHE 11 HD1 PHE 11 12.010 6.493 -1.038
80 HD2 PHE 11 HD2 PHE 11 12.982 4.753 -4.842
81 HE1 PHE 11 HE1 PHE 11 9.990 5.063 -0.900
82 HE2 PHE 11 HE2 PHE 11 10.965 3.319 -4.702
83 HZ PHE 11 HZ PHE 11 9.471 3.472 -2.729
84 H DBB 12 HN DBB 12 13.333 4.483 -1.084
85 HA DBB 12 HA DBB 12 12.483 4.606 1.078
86 HB2 DBB 12 HB2 DBB 12 13.138 6.166 2.629
87 HG1 DBB 12 HG1 DBB 12 15.257 6.076 3.352
88 HG2 DBB 12 HG2 DBB 12 15.692 7.123 2.001
89 HG3 DBB 12 HG3 DBB 12 15.806 5.372 1.830
90 H ILE 13 HN ILE 13 13.861 2.480 0.089
91 HA ILE 13 HA ILE 13 14.755 0.498 0.856
92 HB ILE 13 HB ILE 13 16.772 2.548 1.771
93 HG12 ILE 13 HG12 ILE 13 17.294 0.440 -0.264
94 HG13 ILE 13 HG11 ILE 13 16.154 1.709 -0.710
95 HG21 ILE 13 HG21 ILE 13 17.291 0.811 3.246
96 HG22 ILE 13 HG22 ILE 13 18.250 0.372 1.831
97 HG23 ILE 13 HG23 ILE 13 16.711 -0.432 2.137
98 HD11 ILE 13 HD11 ILE 13 17.886 3.389 0.075
99 HD12 ILE 13 HD12 ILE 13 18.324 2.483 -1.373
100 HD13 ILE 13 HD13 ILE 13 19.024 2.045 0.185
101 H ASN 14 HN ASN 14 13.120 2.406 2.803
102 HA ASN 14 HA ASN 14 12.726 0.553 4.846
103 HB2 ASN 14 HB2 ASN 14 13.850 1.847 6.734
104 HB3 ASN 14 HB1 ASN 14 14.917 0.922 5.680
105 HD21 ASN 14 HD21 ASN 14 16.771 2.310 5.946
106 HD22 ASN 14 HD22 ASN 14 16.798 3.904 5.363
107 H VAL 15 HN VAL 15 12.902 3.997 4.074
108 HA VAL 15 HA VAL 15 10.190 4.521 4.299
109 HB VAL 15 HB VAL 15 10.301 3.962 6.648
110 HG11 VAL 15 HG11 VAL 15 12.912 5.026 6.436
111 HG12 VAL 15 HG12 VAL 15 12.158 4.326 7.868
112 HG13 VAL 15 HG13 VAL 15 12.053 6.063 7.575
113 HG21 VAL 15 HG21 VAL 15 10.409 6.958 6.717
114 HG22 VAL 15 HG22 VAL 15 9.240 5.865 7.458
115 HG23 VAL 15 HG23 VAL 15 9.175 6.181 5.724
116 H CYS 16 HN CYS 16 10.454 5.984 2.683
117 HA CYS 16 HA CYS 16 12.445 8.114 3.024
118 HB2 CYS 16 HB2 CYS 16 11.166 6.796 0.739
119 HB3 CYS 16 HB1 CYS 16 11.266 8.552 0.587
Start of MODEL 10
1 H1 PHE 1 HT1 PHE 1 13.831 -4.950 6.250
2 H2 PHE 1 HT2 PHE 1 13.728 -3.487 5.392
3 H3 PHE 1 HT3 PHE 1 12.718 -4.790 4.981
4 HA PHE 1 HA PHE 1 11.822 -4.622 7.342
5 HB2 PHE 1 HB2 PHE 1 13.716 -3.073 8.015
6 HB3 PHE 1 HB1 PHE 1 12.950 -1.828 7.030
7 HD1 PHE 1 HD1 PHE 1 12.737 -3.809 10.106
8 HD2 PHE 1 HD2 PHE 1 10.732 -0.925 7.634
9 HE1 PHE 1 HE1 PHE 1 11.186 -3.289 11.969
10 HE2 PHE 1 HE2 PHE 1 9.182 -0.404 9.498
11 HZ PHE 1 HZ PHE 1 9.409 -1.587 11.667
12 H PHE 2 HN PHE 2 12.189 -1.945 5.004
13 HA PHE 2 HA PHE 2 9.266 -2.061 4.552
14 HB2 PHE 2 HB2 PHE 2 9.696 0.040 5.551
15 HB3 PHE 2 HB1 PHE 2 11.164 0.280 4.604
16 HD1 PHE 2 HD1 PHE 2 7.484 -0.290 4.123
17 HD2 PHE 2 HD2 PHE 2 11.068 1.588 2.687
18 HE1 PHE 2 HE1 PHE 2 6.175 0.861 2.357
19 HE2 PHE 2 HE2 PHE 2 9.764 2.737 0.922
20 HZ PHE 2 HZ PHE 2 7.314 2.376 0.759
21 H CYS 3 HN CYS 3 9.523 -3.595 2.859
22 HA CYS 3 HA CYS 3 10.950 -2.612 0.476
23 HB2 CYS 3 HB2 CYS 3 10.370 -5.291 1.572
24 HB3 CYS 3 HB1 CYS 3 10.190 -5.134 -0.175
25 H VAL 4 HN VAL 4 9.594 -1.350 -0.658
26 HA VAL 4 HA VAL 4 6.786 -1.660 -0.776
27 HB VAL 4 HB VAL 4 7.088 -0.180 -2.880
28 HG11 VAL 4 HG11 VAL 4 7.141 0.310 -0.098
29 HG12 VAL 4 HG12 VAL 4 6.700 1.447 -1.372
30 HG13 VAL 4 HG13 VAL 4 8.367 1.362 -0.801
31 HG21 VAL 4 HG21 VAL 4 9.245 0.751 -3.247
32 HG22 VAL 4 HG22 VAL 4 9.535 -0.979 -3.073
33 HG23 VAL 4 HG23 VAL 4 9.868 0.111 -1.725
34 H GLN 5 HN GLN 5 9.395 -2.707 -2.936
35 HA GLN 5 HA GLN 5 7.542 -4.662 -4.113
36 HB2 GLN 5 HB2 GLN 5 9.313 -3.540 -6.135
37 HB3 GLN 5 HB1 GLN 5 7.568 -3.784 -6.186
38 HG2 GLN 5 HG2 GLN 5 7.283 -1.713 -4.815
39 HG3 GLN 5 HG1 GLN 5 9.020 -1.450 -4.906
40 HE21 GLN 5 HE21 GLN 5 7.526 0.575 -5.970
41 HE22 GLN 5 HE22 GLN 5 7.550 0.525 -7.672
42 H GLY 6 HN GLY 6 8.552 -6.458 -3.355
43 HA2 GLY 6 HA2 GLY 6 10.273 -7.940 -2.860
44 HA3 GLY 6 HA1 GLY 6 10.655 -7.665 -4.558
45 H DBB 7 HN DBB 7 10.828 -4.950 -2.452
46 HA DBB 7 HA DBB 7 13.678 -5.269 -1.909
47 HB2 DBB 7 HB2 DBB 7 11.597 -3.236 -1.126
48 HG1 DBB 7 HG1 DBB 7 13.948 -2.650 0.269
49 HG2 DBB 7 HG2 DBB 7 13.231 -1.681 -1.020
50 HG3 DBB 7 HG3 DBB 7 14.476 -2.873 -1.400
51 H ALA 8 HN ALA 8 11.513 -3.135 -3.740
52 HA ALA 8 HA ALA 8 13.791 -2.374 -5.437
53 HB1 ALA 8 HB1 ALA 8 11.825 -1.428 -6.862
54 HB2 ALA 8 HB2 ALA 8 10.818 -2.451 -5.835
55 HB3 ALA 8 HB3 ALA 8 12.092 -3.171 -6.821
56 H ASN 9 HN ASN 9 13.574 -1.196 -2.864
57 HA ASN 9 HA ASN 9 12.300 1.345 -2.959
58 HB2 ASN 9 HB2 ASN 9 14.176 -0.066 -1.164
59 HB3 ASN 9 HB1 ASN 9 14.235 1.695 -1.107
60 HD21 ASN 9 HD21 ASN 9 12.433 2.811 -0.218
61 HD22 ASN 9 HD22 ASN 9 11.129 2.005 0.517
62 H ARG 10 HN ARG 10 15.683 1.386 -2.188
63 HA ARG 10 HA ARG 10 17.465 2.539 -3.074
64 HB2 ARG 10 HB2 ARG 10 15.820 2.047 -5.544
65 HB3 ARG 10 HB1 ARG 10 17.325 2.967 -5.612
66 HG2 ARG 10 HG2 ARG 10 18.100 0.805 -6.010
67 HG3 ARG 10 HG1 ARG 10 18.281 0.914 -4.257
68 HD2 ARG 10 HD2 ARG 10 16.060 -0.146 -3.974
69 HD3 ARG 10 HD1 ARG 10 15.917 -0.289 -5.724
70 HE ARG 10 HE ARG 10 17.647 -1.875 -3.983
71 HH11 ARG 10 HH11 ARG 10 16.725 -0.882 -7.168
72 HH12 ARG 10 HH12 ARG 10 17.440 -2.251 -7.951
73 HH21 ARG 10 HH21 ARG 10 18.587 -3.672 -5.003
74 HH22 ARG 10 HH22 ARG 10 18.494 -3.832 -6.725
75 H PHE 11 HN PHE 11 15.532 3.998 -1.737
76 HA PHE 11 HA PHE 11 16.106 6.639 -2.372
77 HB2 PHE 11 HB2 PHE 11 14.048 7.444 -3.423
78 HB3 PHE 11 HB1 PHE 11 14.812 6.227 -4.449
79 HD1 PHE 11 HD1 PHE 11 12.299 6.543 -1.687
80 HD2 PHE 11 HD2 PHE 11 13.558 4.394 -5.186
81 HE1 PHE 11 HE1 PHE 11 10.248 5.154 -1.566
82 HE2 PHE 11 HE2 PHE 11 11.510 3.002 -5.069
83 HZ PHE 11 HZ PHE 11 9.855 3.378 -3.260
84 H DBB 12 HN DBB 12 14.572 4.263 -0.651
85 HA DBB 12 HA DBB 12 12.591 5.640 0.800
86 HB2 DBB 12 HB2 DBB 12 14.062 5.656 2.985
87 HG1 DBB 12 HG1 DBB 12 16.123 4.787 2.156
88 HG2 DBB 12 HG2 DBB 12 16.393 6.524 2.297
89 HG3 DBB 12 HG3 DBB 12 16.062 5.808 0.719
90 H ILE 13 HN ILE 13 15.269 3.361 1.191
91 HA ILE 13 HA ILE 13 13.805 1.028 1.137
92 HB ILE 13 HB ILE 13 16.245 1.409 2.875
93 HG12 ILE 13 HG12 ILE 13 17.269 0.636 0.503
94 HG13 ILE 13 HG11 ILE 13 15.900 1.582 -0.083
95 HG21 ILE 13 HG21 ILE 13 14.760 -0.801 2.503
96 HG22 ILE 13 HG22 ILE 13 16.516 -0.873 2.655
97 HG23 ILE 13 HG23 ILE 13 15.766 -0.908 1.058
98 HD11 ILE 13 HD11 ILE 13 18.398 2.515 1.042
99 HD12 ILE 13 HD12 ILE 13 17.040 3.102 2.004
100 HD13 ILE 13 HD13 ILE 13 17.111 3.449 0.276
101 H ASN 14 HN ASN 14 14.757 2.927 3.990
102 HA ASN 14 HA ASN 14 13.522 1.240 5.892
103 HB2 ASN 14 HB2 ASN 14 14.379 4.119 5.887
104 HB3 ASN 14 HB1 ASN 14 13.538 3.426 7.273
105 HD21 ASN 14 HD21 ASN 14 16.455 4.302 6.953
106 HD22 ASN 14 HD22 ASN 14 17.354 2.937 7.415
107 H VAL 15 HN VAL 15 12.386 4.088 4.114
108 HA VAL 15 HA VAL 15 9.796 3.480 3.697
109 HB VAL 15 HB VAL 15 9.392 2.979 6.024
110 HG11 VAL 15 HG11 VAL 15 9.792 4.681 7.777
111 HG12 VAL 15 HG12 VAL 15 10.483 5.755 6.562
112 HG13 VAL 15 HG13 VAL 15 11.289 4.237 6.956
113 HG21 VAL 15 HG21 VAL 15 7.811 4.591 4.598
114 HG22 VAL 15 HG22 VAL 15 8.247 5.734 5.867
115 HG23 VAL 15 HG23 VAL 15 7.456 4.215 6.284
116 H CYS 16 HN CYS 16 12.126 5.342 3.171
117 HA CYS 16 HA CYS 16 10.704 7.919 3.243
118 HB2 CYS 16 HB2 CYS 16 12.715 8.969 3.404
119 HB3 CYS 16 HB1 CYS 16 13.226 7.404 4.037
Start of MODEL 11
1 H1 PHE 1 HT1 PHE 1 9.821 -2.096 8.285
2 H2 PHE 1 HT2 PHE 1 11.355 -2.105 9.015
3 H3 PHE 1 HT3 PHE 1 10.479 -3.552 8.854
4 HA PHE 1 HA PHE 1 12.238 -2.293 7.005
5 HB2 PHE 1 HB2 PHE 1 11.964 -4.758 7.889
6 HB3 PHE 1 HB1 PHE 1 10.789 -4.890 6.579
7 HD1 PHE 1 HD1 PHE 1 14.308 -3.850 7.300
8 HD2 PHE 1 HD2 PHE 1 11.501 -5.243 4.362
9 HE1 PHE 1 HE1 PHE 1 16.154 -4.130 5.669
10 HE2 PHE 1 HE2 PHE 1 13.348 -5.522 2.730
11 HZ PHE 1 HZ PHE 1 15.674 -4.966 3.384
12 H PHE 2 HN PHE 2 11.724 -1.193 5.213
13 HA PHE 2 HA PHE 2 8.973 -1.445 4.157
14 HB2 PHE 2 HB2 PHE 2 9.413 0.806 4.904
15 HB3 PHE 2 HB1 PHE 2 10.942 0.842 4.026
16 HD1 PHE 2 HD1 PHE 2 8.135 -0.875 2.468
17 HD2 PHE 2 HD2 PHE 2 10.153 2.896 2.855
18 HE1 PHE 2 HE1 PHE 2 6.967 -0.042 0.444
19 HE2 PHE 2 HE2 PHE 2 8.986 3.729 0.837
20 HZ PHE 2 HZ PHE 2 7.390 2.264 -0.369
21 H CYS 3 HN CYS 3 8.937 -2.759 2.440
22 HA CYS 3 HA CYS 3 11.077 -2.445 0.427
23 HB2 CYS 3 HB2 CYS 3 10.279 -4.817 1.864
24 HB3 CYS 3 HB1 CYS 3 9.996 -5.029 0.137
25 H VAL 4 HN VAL 4 10.406 -2.054 -1.601
26 HA VAL 4 HA VAL 4 7.518 -2.335 -2.160
27 HB VAL 4 HB VAL 4 7.963 -0.530 -3.896
28 HG11 VAL 4 HG11 VAL 4 7.198 -0.364 -1.302
29 HG12 VAL 4 HG12 VAL 4 7.319 1.042 -2.361
30 HG13 VAL 4 HG13 VAL 4 8.639 0.650 -1.262
31 HG21 VAL 4 HG21 VAL 4 9.981 0.893 -3.361
32 HG22 VAL 4 HG22 VAL 4 10.378 -0.683 -4.046
33 HG23 VAL 4 HG23 VAL 4 10.548 -0.405 -2.311
34 H GLN 5 HN GLN 5 7.273 -4.169 -3.284
35 HA GLN 5 HA GLN 5 7.317 -5.505 -5.173
36 HB2 GLN 5 HB2 GLN 5 9.572 -3.765 -6.186
37 HB3 GLN 5 HB1 GLN 5 8.523 -4.827 -7.125
38 HG2 GLN 5 HG2 GLN 5 7.601 -2.387 -5.578
39 HG3 GLN 5 HG1 GLN 5 7.824 -2.459 -7.326
40 HE21 GLN 5 HE21 GLN 5 5.419 -2.558 -5.080
41 HE22 GLN 5 HE22 GLN 5 4.310 -3.572 -5.882
42 H GLY 6 HN GLY 6 8.561 -6.330 -2.892
43 HA2 GLY 6 HA2 GLY 6 9.976 -8.027 -2.219
44 HA3 GLY 6 HA1 GLY 6 10.477 -8.205 -3.898
45 H DBB 7 HN DBB 7 10.677 -5.098 -2.363
46 HA DBB 7 HA DBB 7 13.537 -5.431 -1.786
47 HB2 DBB 7 HB2 DBB 7 11.523 -3.282 -1.142
48 HG1 DBB 7 HG1 DBB 7 14.272 -2.888 -1.643
49 HG2 DBB 7 HG2 DBB 7 14.102 -2.910 0.112
50 HG3 DBB 7 HG3 DBB 7 13.166 -1.767 -0.850
51 H ALA 8 HN ALA 8 11.823 -2.569 -2.962
52 HA ALA 8 HA ALA 8 13.949 -2.130 -4.926
53 HB1 ALA 8 HB1 ALA 8 11.221 -1.697 -5.982
54 HB2 ALA 8 HB2 ALA 8 11.709 -3.381 -5.797
55 HB3 ALA 8 HB3 ALA 8 12.666 -2.291 -6.799
56 H ASN 9 HN ASN 9 13.240 -0.816 -2.456
57 HA ASN 9 HA ASN 9 11.698 1.512 -2.886
58 HB2 ASN 9 HB2 ASN 9 13.702 0.635 -0.866
59 HB3 ASN 9 HB1 ASN 9 13.343 2.355 -0.968
60 HD21 ASN 9 HD21 ASN 9 12.610 0.936 1.355
61 HD22 ASN 9 HD22 ASN 9 10.914 0.805 1.416
62 H ARG 10 HN ARG 10 15.220 1.459 -2.405
63 HA ARG 10 HA ARG 10 16.925 2.543 -3.504
64 HB2 ARG 10 HB2 ARG 10 14.729 2.922 -5.496
65 HB3 ARG 10 HB1 ARG 10 16.181 3.907 -5.637
66 HG2 ARG 10 HG2 ARG 10 16.390 1.827 -6.945
67 HG3 ARG 10 HG1 ARG 10 17.564 1.867 -5.628
68 HD2 ARG 10 HD2 ARG 10 16.142 0.451 -4.255
69 HD3 ARG 10 HD1 ARG 10 14.869 0.493 -5.472
70 HE ARG 10 HE ARG 10 16.145 -0.978 -6.812
71 HH11 ARG 10 HH11 ARG 10 17.758 -0.021 -3.902
72 HH12 ARG 10 HH12 ARG 10 18.974 -1.249 -4.012
73 HH21 ARG 10 HH21 ARG 10 17.744 -2.573 -6.973
74 HH22 ARG 10 HH22 ARG 10 18.966 -2.695 -5.752
75 H PHE 11 HN PHE 11 13.957 4.122 -2.661
76 HA PHE 11 HA PHE 11 15.333 6.719 -2.417
77 HB2 PHE 11 HB2 PHE 11 12.979 7.573 -1.996
78 HB3 PHE 11 HB1 PHE 11 13.278 6.934 -3.614
79 HD1 PHE 11 HD1 PHE 11 11.519 6.427 -0.444
80 HD2 PHE 11 HD2 PHE 11 12.462 4.708 -4.255
81 HE1 PHE 11 HE1 PHE 11 9.736 4.733 -0.120
82 HE2 PHE 11 HE2 PHE 11 10.688 3.012 -3.938
83 HZ PHE 11 HZ PHE 11 9.324 3.019 -1.868
84 H DBB 12 HN DBB 12 13.136 4.612 -0.567
85 HA DBB 12 HA DBB 12 12.602 4.671 1.699
86 HB2 DBB 12 HB2 DBB 12 13.346 6.289 3.142
87 HG1 DBB 12 HG1 DBB 12 15.701 7.437 2.147
88 HG2 DBB 12 HG2 DBB 12 15.917 5.697 1.970
89 HG3 DBB 12 HG3 DBB 12 15.538 6.382 3.550
90 H ILE 13 HN ILE 13 14.347 2.881 0.283
91 HA ILE 13 HA ILE 13 15.546 0.997 0.842
92 HB ILE 13 HB ILE 13 17.379 2.852 2.347
93 HG12 ILE 13 HG12 ILE 13 16.812 4.068 0.329
94 HG13 ILE 13 HG11 ILE 13 18.400 3.341 0.089
95 HG21 ILE 13 HG21 ILE 13 18.754 1.176 0.575
96 HG22 ILE 13 HG22 ILE 13 17.460 0.171 1.226
97 HG23 ILE 13 HG23 ILE 13 18.602 0.956 2.318
98 HD11 ILE 13 HD11 ILE 13 17.579 2.388 -1.774
99 HD12 ILE 13 HD12 ILE 13 15.939 2.898 -1.373
100 HD13 ILE 13 HD13 ILE 13 16.572 1.381 -0.733
101 H ASN 14 HN ASN 14 13.616 2.296 2.913
102 HA ASN 14 HA ASN 14 13.632 0.273 4.817
103 HB2 ASN 14 HB2 ASN 14 15.851 1.419 5.406
104 HB3 ASN 14 HB1 ASN 14 14.869 2.756 6.000
105 HD21 ASN 14 HD21 ASN 14 15.274 2.440 8.258
106 HD22 ASN 14 HD22 ASN 14 14.772 1.050 9.093
107 H VAL 15 HN VAL 15 13.122 3.731 4.304
108 HA VAL 15 HA VAL 15 10.380 3.756 4.496
109 HB VAL 15 HB VAL 15 10.427 4.865 6.961
110 HG11 VAL 15 HG11 VAL 15 8.883 3.255 7.221
111 HG12 VAL 15 HG12 VAL 15 10.143 2.023 7.292
112 HG13 VAL 15 HG13 VAL 15 9.463 2.500 5.737
113 HG21 VAL 15 HG21 VAL 15 12.051 2.463 7.546
114 HG22 VAL 15 HG22 VAL 15 12.045 4.037 8.343
115 HG23 VAL 15 HG23 VAL 15 12.944 3.811 6.841
116 H CYS 16 HN CYS 16 10.806 5.358 2.935
117 HA CYS 16 HA CYS 16 12.275 7.745 3.641
118 HB2 CYS 16 HB2 CYS 16 11.069 6.597 1.230
119 HB3 CYS 16 HB1 CYS 16 10.906 8.349 1.336
Start of MODEL 12
1 H1 PHE 1 HT1 PHE 1 11.249 -1.906 5.946
2 H2 PHE 1 HT2 PHE 1 11.411 -3.403 5.161
3 H3 PHE 1 HT3 PHE 1 11.769 -3.266 6.816
4 HA PHE 1 HA PHE 1 9.600 -4.336 6.369
5 HB2 PHE 1 HB2 PHE 1 10.030 -3.218 8.509
6 HB3 PHE 1 HB1 PHE 1 9.579 -1.665 7.807
7 HD1 PHE 1 HD1 PHE 1 8.265 -5.109 8.448
8 HD2 PHE 1 HD2 PHE 1 7.333 -0.965 7.807
9 HE1 PHE 1 HE1 PHE 1 5.884 -5.565 8.966
10 HE2 PHE 1 HE2 PHE 1 4.951 -1.421 8.325
11 HZ PHE 1 HZ PHE 1 4.226 -3.721 8.905
12 H PHE 2 HN PHE 2 9.827 -0.906 5.457
13 HA PHE 2 HA PHE 2 7.219 -0.792 4.281
14 HB2 PHE 2 HB2 PHE 2 8.104 1.286 4.965
15 HB3 PHE 2 HB1 PHE 2 9.647 0.986 4.167
16 HD1 PHE 2 HD1 PHE 2 6.001 1.466 3.473
17 HD2 PHE 2 HD2 PHE 2 10.015 1.696 1.958
18 HE1 PHE 2 HE1 PHE 2 5.161 2.549 1.406
19 HE2 PHE 2 HE2 PHE 2 9.175 2.780 -0.107
20 HZ PHE 2 HZ PHE 2 6.747 3.208 -0.383
21 H CYS 3 HN CYS 3 10.322 -1.859 3.233
22 HA CYS 3 HA CYS 3 10.811 -1.626 0.729
23 HB2 CYS 3 HB2 CYS 3 10.414 -4.140 2.246
24 HB3 CYS 3 HB1 CYS 3 10.552 -4.291 0.494
25 H VAL 4 HN VAL 4 9.510 -0.861 -0.804
26 HA VAL 4 HA VAL 4 6.794 -1.546 -1.125
27 HB VAL 4 HB VAL 4 7.173 -0.513 -3.457
28 HG11 VAL 4 HG11 VAL 4 6.216 0.961 -1.943
29 HG12 VAL 4 HG12 VAL 4 7.765 1.761 -2.208
30 HG13 VAL 4 HG13 VAL 4 7.521 0.766 -0.772
31 HG21 VAL 4 HG21 VAL 4 9.796 0.290 -2.181
32 HG22 VAL 4 HG22 VAL 4 9.263 0.574 -3.838
33 HG23 VAL 4 HG23 VAL 4 9.680 -1.057 -3.314
34 H GLN 5 HN GLN 5 9.739 -2.723 -2.717
35 HA GLN 5 HA GLN 5 8.202 -5.062 -3.638
36 HB2 GLN 5 HB2 GLN 5 10.271 -4.062 -5.506
37 HB3 GLN 5 HB1 GLN 5 8.709 -4.803 -5.844
38 HG2 GLN 5 HG2 GLN 5 7.596 -2.683 -5.134
39 HG3 GLN 5 HG1 GLN 5 9.184 -1.950 -4.936
40 HE21 GLN 5 HE21 GLN 5 7.955 -0.516 -6.723
41 HE22 GLN 5 HE22 GLN 5 8.287 -0.963 -8.333
42 H GLY 6 HN GLY 6 9.252 -6.152 -1.879
43 HA2 GLY 6 HA2 GLY 6 10.935 -7.374 -0.879
44 HA3 GLY 6 HA1 GLY 6 11.488 -7.647 -2.530
45 H DBB 7 HN DBB 7 11.305 -4.394 -1.462
46 HA DBB 7 HA DBB 7 14.141 -4.305 -0.705
47 HB2 DBB 7 HB2 DBB 7 11.907 -2.274 -0.533
48 HG1 DBB 7 HG1 DBB 7 14.811 -2.064 0.309
49 HG2 DBB 7 HG2 DBB 7 13.550 -0.897 0.715
50 HG3 DBB 7 HG3 DBB 7 14.033 -1.127 -0.967
51 H ALA 8 HN ALA 8 11.853 -2.915 -3.034
52 HA ALA 8 HA ALA 8 14.146 -2.231 -4.762
53 HB1 ALA 8 HB1 ALA 8 11.300 -2.418 -5.697
54 HB2 ALA 8 HB2 ALA 8 12.283 -3.871 -5.504
55 HB3 ALA 8 HB3 ALA 8 12.787 -2.608 -6.627
56 H ASN 9 HN ASN 9 13.751 -0.371 -2.824
57 HA ASN 9 HA ASN 9 12.492 1.824 -4.337
58 HB2 ASN 9 HB2 ASN 9 12.101 2.754 -1.886
59 HB3 ASN 9 HB1 ASN 9 10.933 1.691 -2.667
60 HD21 ASN 9 HD21 ASN 9 12.189 2.107 0.275
61 HD22 ASN 9 HD22 ASN 9 12.340 0.494 0.795
62 H ARG 10 HN ARG 10 14.175 2.993 -5.041
63 HA ARG 10 HA ARG 10 16.685 3.183 -3.732
64 HB2 ARG 10 HB2 ARG 10 15.376 4.830 -5.895
65 HB3 ARG 10 HB1 ARG 10 17.003 5.163 -5.303
66 HG2 ARG 10 HG2 ARG 10 17.342 3.738 -7.162
67 HG3 ARG 10 HG1 ARG 10 17.482 2.671 -5.765
68 HD2 ARG 10 HD2 ARG 10 15.152 1.966 -6.043
69 HD3 ARG 10 HD1 ARG 10 14.964 3.071 -7.403
70 HE ARG 10 HE ARG 10 17.118 1.439 -8.037
71 HH11 ARG 10 HH11 ARG 10 13.764 1.097 -7.262
72 HH12 ARG 10 HH12 ARG 10 13.544 -0.324 -8.228
73 HH21 ARG 10 HH21 ARG 10 16.838 -0.420 -9.308
74 HH22 ARG 10 HH22 ARG 10 15.285 -1.182 -9.388
75 H PHE 11 HN PHE 11 13.807 5.231 -3.738
76 HA PHE 11 HA PHE 11 14.865 7.439 -2.359
77 HB2 PHE 11 HB2 PHE 11 12.467 7.861 -1.726
78 HB3 PHE 11 HB1 PHE 11 12.732 7.616 -3.454
79 HD1 PHE 11 HD1 PHE 11 11.304 6.197 -0.380
80 HD2 PHE 11 HD2 PHE 11 12.080 5.520 -4.550
81 HE1 PHE 11 HE1 PHE 11 9.742 4.271 -0.359
82 HE2 PHE 11 HE2 PHE 11 10.518 3.597 -4.529
83 HZ PHE 11 HZ PHE 11 9.351 2.969 -2.434
84 H DBB 12 HN DBB 12 13.170 4.566 -1.144
85 HA DBB 12 HA DBB 12 12.710 3.936 1.047
86 HB2 DBB 12 HB2 DBB 12 13.244 5.196 2.907
87 HG1 DBB 12 HG1 DBB 12 15.780 5.620 1.507
88 HG2 DBB 12 HG2 DBB 12 15.448 5.550 3.237
89 HG3 DBB 12 HG3 DBB 12 15.208 7.058 2.354
90 H ILE 13 HN ILE 13 14.122 2.416 -0.448
91 HA ILE 13 HA ILE 13 15.794 0.842 -0.577
92 HB ILE 13 HB ILE 13 17.358 2.563 1.356
93 HG12 ILE 13 HG12 ILE 13 18.236 2.955 -1.303
94 HG13 ILE 13 HG11 ILE 13 16.481 3.124 -1.343
95 HG21 ILE 13 HG21 ILE 13 19.273 1.443 0.425
96 HG22 ILE 13 HG22 ILE 13 18.297 0.700 -0.841
97 HG23 ILE 13 HG23 ILE 13 18.104 0.189 0.837
98 HD11 ILE 13 HD11 ILE 13 18.305 5.069 -0.515
99 HD12 ILE 13 HD12 ILE 13 17.627 4.440 0.987
100 HD13 ILE 13 HD13 ILE 13 16.561 5.096 -0.256
101 H ASN 14 HN ASN 14 15.216 2.157 2.666
102 HA ASN 14 HA ASN 14 15.074 -0.619 3.669
103 HB2 ASN 14 HB2 ASN 14 15.986 0.124 5.791
104 HB3 ASN 14 HB1 ASN 14 17.100 0.565 4.499
105 HD21 ASN 14 HD21 ASN 14 17.414 2.045 6.765
106 HD22 ASN 14 HD22 ASN 14 16.743 3.595 6.588
107 H VAL 15 HN VAL 15 13.711 2.558 3.499
108 HA VAL 15 HA VAL 15 11.121 2.062 3.881
109 HB VAL 15 HB VAL 15 11.365 0.852 5.907
110 HG11 VAL 15 HG11 VAL 15 13.610 2.583 6.260
111 HG12 VAL 15 HG12 VAL 15 13.174 1.163 7.211
112 HG13 VAL 15 HG13 VAL 15 12.570 2.754 7.673
113 HG21 VAL 15 HG21 VAL 15 9.800 3.061 5.756
114 HG22 VAL 15 HG22 VAL 15 10.768 3.470 7.174
115 HG23 VAL 15 HG23 VAL 15 9.815 1.985 7.155
116 H CYS 16 HN CYS 16 10.900 3.970 2.779
117 HA CYS 16 HA CYS 16 11.977 6.441 3.879
118 HB2 CYS 16 HB2 CYS 16 10.840 5.552 1.315
119 HB3 CYS 16 HB1 CYS 16 10.371 7.186 1.787
Start of MODEL 13
1 H1 PHE 1 HT1 PHE 1 9.539 -4.101 7.927
2 H2 PHE 1 HT2 PHE 1 10.414 -2.674 7.634
3 H3 PHE 1 HT3 PHE 1 11.206 -4.052 8.237
4 HA PHE 1 HA PHE 1 11.765 -4.004 5.982
5 HB2 PHE 1 HB2 PHE 1 9.403 -5.843 6.457
6 HB3 PHE 1 HB1 PHE 1 10.472 -5.960 5.060
7 HD1 PHE 1 HD1 PHE 1 10.094 -6.603 8.628
8 HD2 PHE 1 HD2 PHE 1 12.899 -6.472 5.376
9 HE1 PHE 1 HE1 PHE 1 11.718 -7.905 9.976
10 HE2 PHE 1 HE2 PHE 1 14.522 -7.774 6.725
11 HZ PHE 1 HZ PHE 1 13.932 -8.491 9.025
12 H PHE 2 HN PHE 2 11.085 -1.792 5.373
13 HA PHE 2 HA PHE 2 8.511 -1.165 4.409
14 HB2 PHE 2 HB2 PHE 2 10.233 0.542 4.900
15 HB3 PHE 2 HB1 PHE 2 11.188 -0.036 3.538
16 HD1 PHE 2 HD1 PHE 2 10.790 2.613 3.139
17 HD2 PHE 2 HD2 PHE 2 7.825 -0.450 2.647
18 HE1 PHE 2 HE1 PHE 2 9.514 4.091 1.613
19 HE2 PHE 2 HE2 PHE 2 6.556 1.017 1.106
20 HZ PHE 2 HZ PHE 2 7.400 3.294 0.595
21 H CYS 3 HN CYS 3 11.437 -2.274 2.719
22 HA CYS 3 HA CYS 3 11.406 -2.412 0.266
23 HB2 CYS 3 HB2 CYS 3 11.184 -4.760 1.996
24 HB3 CYS 3 HB1 CYS 3 10.677 -5.080 0.338
25 H VAL 4 HN VAL 4 9.777 -1.295 -0.758
26 HA VAL 4 HA VAL 4 7.034 -1.897 -0.618
27 HB VAL 4 HB VAL 4 6.859 -0.571 -2.710
28 HG11 VAL 4 HG11 VAL 4 8.595 0.407 -0.441
29 HG12 VAL 4 HG12 VAL 4 6.886 0.733 -0.732
30 HG13 VAL 4 HG13 VAL 4 8.113 1.477 -1.758
31 HG21 VAL 4 HG21 VAL 4 8.943 0.367 -3.668
32 HG22 VAL 4 HG22 VAL 4 8.912 -1.391 -3.799
33 HG23 VAL 4 HG23 VAL 4 9.891 -0.617 -2.554
34 H GLN 5 HN GLN 5 9.519 -2.918 -2.961
35 HA GLN 5 HA GLN 5 7.828 -5.221 -3.641
36 HB2 GLN 5 HB2 GLN 5 9.081 -3.482 -5.770
37 HB3 GLN 5 HB1 GLN 5 7.974 -4.837 -6.000
38 HG2 GLN 5 HG2 GLN 5 7.264 -2.296 -4.504
39 HG3 GLN 5 HG1 GLN 5 6.862 -2.592 -6.195
40 HE21 GLN 5 HE21 GLN 5 5.130 -2.374 -3.628
41 HE22 GLN 5 HE22 GLN 5 4.152 -3.767 -3.693
42 H GLY 6 HN GLY 6 9.114 -6.901 -3.168
43 HA2 GLY 6 HA2 GLY 6 11.068 -8.120 -2.822
44 HA3 GLY 6 HA1 GLY 6 11.259 -7.795 -4.542
45 H DBB 7 HN DBB 7 11.242 -5.122 -2.367
46 HA DBB 7 HA DBB 7 14.118 -5.020 -2.000
47 HB2 DBB 7 HB2 DBB 7 11.800 -3.264 -1.234
48 HG1 DBB 7 HG1 DBB 7 14.702 -2.573 -1.407
49 HG2 DBB 7 HG2 DBB 7 13.833 -2.058 0.040
50 HG3 DBB 7 HG3 DBB 7 13.290 -1.524 -1.551
51 H ALA 8 HN ALA 8 11.653 -3.174 -3.779
52 HA ALA 8 HA ALA 8 13.712 -2.334 -5.697
53 HB1 ALA 8 HB1 ALA 8 10.742 -2.635 -5.773
54 HB2 ALA 8 HB2 ALA 8 11.956 -3.170 -6.936
55 HB3 ALA 8 HB3 ALA 8 11.497 -1.469 -6.859
56 H ASN 9 HN ASN 9 12.315 -1.171 -2.933
57 HA ASN 9 HA ASN 9 11.423 1.334 -3.155
58 HB2 ASN 9 HB2 ASN 9 12.060 0.252 -1.011
59 HB3 ASN 9 HB1 ASN 9 13.751 0.611 -1.360
60 HD21 ASN 9 HD21 ASN 9 11.709 1.681 0.746
61 HD22 ASN 9 HD22 ASN 9 11.892 3.371 0.632
62 H ARG 10 HN ARG 10 14.902 1.256 -2.540
63 HA ARG 10 HA ARG 10 16.640 2.464 -3.442
64 HB2 ARG 10 HB2 ARG 10 14.845 1.981 -5.784
65 HB3 ARG 10 HB1 ARG 10 16.225 3.066 -5.971
66 HG2 ARG 10 HG2 ARG 10 16.873 0.771 -6.558
67 HG3 ARG 10 HG1 ARG 10 17.715 1.281 -5.092
68 HD2 ARG 10 HD2 ARG 10 16.113 0.095 -3.702
69 HD3 ARG 10 HD1 ARG 10 15.139 -0.316 -5.109
70 HE ARG 10 HE ARG 10 17.401 -1.479 -5.812
71 HH11 ARG 10 HH11 ARG 10 15.937 -1.266 -2.679
72 HH12 ARG 10 HH12 ARG 10 16.585 -2.772 -2.125
73 HH21 ARG 10 HH21 ARG 10 18.233 -3.464 -5.095
74 HH22 ARG 10 HH22 ARG 10 17.882 -4.018 -3.492
75 H PHE 11 HN PHE 11 15.058 3.944 -1.865
76 HA PHE 11 HA PHE 11 15.582 6.582 -2.517
77 HB2 PHE 11 HB2 PHE 11 13.359 7.446 -3.171
78 HB3 PHE 11 HB1 PHE 11 14.002 6.326 -4.375
79 HD1 PHE 11 HD1 PHE 11 12.092 6.102 -1.145
80 HD2 PHE 11 HD2 PHE 11 12.476 4.787 -5.217
81 HE1 PHE 11 HE1 PHE 11 10.119 4.636 -0.853
82 HE2 PHE 11 HE2 PHE 11 10.496 3.323 -4.927
83 HZ PHE 11 HZ PHE 11 9.319 3.244 -2.747
84 H DBB 12 HN DBB 12 14.612 4.265 -0.503
85 HA DBB 12 HA DBB 12 12.802 5.628 1.235
86 HB2 DBB 12 HB2 DBB 12 14.556 5.725 3.128
87 HG1 DBB 12 HG1 DBB 12 16.168 4.844 0.934
88 HG2 DBB 12 HG2 DBB 12 16.677 5.185 2.587
89 HG3 DBB 12 HG3 DBB 12 16.694 6.468 1.377
90 H ILE 13 HN ILE 13 15.448 3.287 1.093
91 HA ILE 13 HA ILE 13 14.050 0.973 1.332
92 HB ILE 13 HB ILE 13 16.539 1.210 2.969
93 HG12 ILE 13 HG12 ILE 13 17.189 2.656 1.204
94 HG13 ILE 13 HG11 ILE 13 17.765 1.072 0.688
95 HG21 ILE 13 HG21 ILE 13 15.826 -0.700 0.737
96 HG22 ILE 13 HG22 ILE 13 15.255 -0.943 2.389
97 HG23 ILE 13 HG23 ILE 13 16.985 -0.938 2.045
98 HD11 ILE 13 HD11 ILE 13 16.584 1.354 -1.212
99 HD12 ILE 13 HD12 ILE 13 15.810 2.808 -0.578
100 HD13 ILE 13 HD13 ILE 13 15.116 1.221 -0.242
101 H ASN 14 HN ASN 14 15.386 2.777 4.108
102 HA ASN 14 HA ASN 14 14.105 1.194 6.080
103 HB2 ASN 14 HB2 ASN 14 15.332 3.941 6.081
104 HB3 ASN 14 HB1 ASN 14 14.533 3.297 7.514
105 HD21 ASN 14 HD21 ASN 14 17.342 3.816 7.542
106 HD22 ASN 14 HD22 ASN 14 18.162 2.331 7.626
107 H VAL 15 HN VAL 15 13.219 4.204 4.454
108 HA VAL 15 HA VAL 15 10.558 3.983 4.232
109 HB VAL 15 HB VAL 15 10.175 3.418 6.515
110 HG11 VAL 15 HG11 VAL 15 11.027 5.471 8.125
111 HG12 VAL 15 HG12 VAL 15 12.325 5.394 6.933
112 HG13 VAL 15 HG13 VAL 15 11.912 3.965 7.881
113 HG21 VAL 15 HG21 VAL 15 8.532 4.957 6.965
114 HG22 VAL 15 HG22 VAL 15 8.945 5.527 5.349
115 HG23 VAL 15 HG23 VAL 15 9.621 6.330 6.767
116 H CYS 16 HN CYS 16 11.972 5.405 2.714
117 HA CYS 16 HA CYS 16 11.224 8.164 3.256
118 HB2 CYS 16 HB2 CYS 16 13.308 9.091 3.361
119 HB3 CYS 16 HB1 CYS 16 13.699 7.513 4.045
Start of MODEL 14
1 H1 PHE 1 HT1 PHE 1 11.738 -2.847 5.901
2 H2 PHE 1 HT2 PHE 1 11.511 -3.415 7.486
3 H3 PHE 1 HT3 PHE 1 10.903 -1.895 7.028
4 HA PHE 1 HA PHE 1 10.005 -4.486 5.892
5 HB2 PHE 1 HB2 PHE 1 8.792 -2.676 8.001
6 HB3 PHE 1 HB1 PHE 1 7.914 -3.980 7.201
7 HD1 PHE 1 HD1 PHE 1 10.343 -3.123 9.758
8 HD2 PHE 1 HD2 PHE 1 8.745 -6.352 7.419
9 HE1 PHE 1 HE1 PHE 1 11.317 -4.757 11.348
10 HE2 PHE 1 HE2 PHE 1 9.720 -7.987 9.010
11 HZ PHE 1 HZ PHE 1 11.005 -7.189 10.975
12 H PHE 2 HN PHE 2 10.528 -1.230 5.442
13 HA PHE 2 HA PHE 2 8.152 -0.320 4.241
14 HB2 PHE 2 HB2 PHE 2 10.061 1.137 4.886
15 HB3 PHE 2 HB1 PHE 2 10.986 0.472 3.539
16 HD1 PHE 2 HD1 PHE 2 8.446 2.848 4.540
17 HD2 PHE 2 HD2 PHE 2 10.092 0.735 1.182
18 HE1 PHE 2 HE1 PHE 2 7.370 4.463 2.996
19 HE2 PHE 2 HE2 PHE 2 9.015 2.348 -0.363
20 HZ PHE 2 HZ PHE 2 7.654 4.214 0.545
21 H CYS 3 HN CYS 3 11.009 -1.911 2.854
22 HA CYS 3 HA CYS 3 11.110 -2.058 0.364
23 HB2 CYS 3 HB2 CYS 3 10.406 -4.367 2.097
24 HB3 CYS 3 HB1 CYS 3 10.362 -4.620 0.353
25 H VAL 4 HN VAL 4 9.775 -1.139 -1.058
26 HA VAL 4 HA VAL 4 6.952 -1.329 -1.015
27 HB VAL 4 HB VAL 4 7.161 -0.463 -3.397
28 HG11 VAL 4 HG11 VAL 4 7.510 0.775 -0.934
29 HG12 VAL 4 HG12 VAL 4 7.238 1.599 -2.469
30 HG13 VAL 4 HG13 VAL 4 8.881 1.354 -1.878
31 HG21 VAL 4 HG21 VAL 4 10.101 -0.448 -2.638
32 HG22 VAL 4 HG22 VAL 4 9.405 0.223 -4.112
33 HG23 VAL 4 HG23 VAL 4 9.375 -1.519 -3.836
34 H GLN 5 HN GLN 5 9.449 -3.089 -2.803
35 HA GLN 5 HA GLN 5 7.702 -5.359 -3.129
36 HB2 GLN 5 HB2 GLN 5 8.292 -5.182 -5.744
37 HB3 GLN 5 HB1 GLN 5 6.805 -4.525 -5.059
38 HG2 GLN 5 HG2 GLN 5 7.900 -2.324 -4.798
39 HG3 GLN 5 HG1 GLN 5 9.378 -2.982 -5.500
40 HE21 GLN 5 HE21 GLN 5 8.426 -0.882 -6.906
41 HE22 GLN 5 HE22 GLN 5 7.608 -1.381 -8.316
42 H GLY 6 HN GLY 6 9.196 -6.717 -2.276
43 HA2 GLY 6 HA2 GLY 6 11.112 -7.978 -2.094
44 HA3 GLY 6 HA1 GLY 6 11.256 -7.767 -3.837
45 H DBB 7 HN DBB 7 11.375 -5.298 -1.291
46 HA DBB 7 HA DBB 7 14.130 -4.990 -1.056
47 HB2 DBB 7 HB2 DBB 7 11.908 -2.963 -0.866
48 HG1 DBB 7 HG1 DBB 7 14.799 -2.694 0.007
49 HG2 DBB 7 HG2 DBB 7 13.525 -1.499 0.250
50 HG3 DBB 7 HG3 DBB 7 14.085 -1.874 -1.381
51 H ALA 8 HN ALA 8 12.133 -2.649 -2.846
52 HA ALA 8 HA ALA 8 14.385 -2.265 -4.707
53 HB1 ALA 8 HB1 ALA 8 12.940 -3.736 -5.922
54 HB2 ALA 8 HB2 ALA 8 12.679 -2.117 -6.571
55 HB3 ALA 8 HB3 ALA 8 11.508 -2.817 -5.453
56 H ASN 9 HN ASN 9 13.482 -0.687 -2.462
57 HA ASN 9 HA ASN 9 12.335 1.677 -3.800
58 HB2 ASN 9 HB2 ASN 9 11.773 2.480 -1.573
59 HB3 ASN 9 HB1 ASN 9 11.141 0.849 -1.792
60 HD21 ASN 9 HD21 ASN 9 11.582 1.797 0.828
61 HD22 ASN 9 HD22 ASN 9 12.908 0.968 1.504
62 H ARG 10 HN ARG 10 14.087 2.659 -4.721
63 HA ARG 10 HA ARG 10 16.640 2.894 -3.501
64 HB2 ARG 10 HB2 ARG 10 15.638 4.903 -5.485
65 HB3 ARG 10 HB1 ARG 10 17.236 4.168 -5.346
66 HG2 ARG 10 HG2 ARG 10 14.698 2.893 -6.385
67 HG3 ARG 10 HG1 ARG 10 16.213 3.147 -7.250
68 HD2 ARG 10 HD2 ARG 10 17.325 1.620 -5.574
69 HD3 ARG 10 HD1 ARG 10 15.721 1.252 -4.941
70 HE ARG 10 HE ARG 10 15.337 -0.071 -6.809
71 HH11 ARG 10 HH11 ARG 10 18.072 1.998 -7.277
72 HH12 ARG 10 HH12 ARG 10 18.557 1.250 -8.763
73 HH21 ARG 10 HH21 ARG 10 15.967 -1.055 -8.757
74 HH22 ARG 10 HH22 ARG 10 17.366 -0.477 -9.600
75 H PHE 11 HN PHE 11 13.795 4.992 -3.586
76 HA PHE 11 HA PHE 11 14.931 7.259 -2.368
77 HB2 PHE 11 HB2 PHE 11 12.517 7.703 -1.647
78 HB3 PHE 11 HB1 PHE 11 12.795 7.518 -3.380
79 HD1 PHE 11 HD1 PHE 11 11.250 6.077 -0.400
80 HD2 PHE 11 HD2 PHE 11 12.205 5.394 -4.528
81 HE1 PHE 11 HE1 PHE 11 9.659 4.178 -0.448
82 HE2 PHE 11 HE2 PHE 11 10.612 3.498 -4.585
83 HZ PHE 11 HZ PHE 11 9.349 2.883 -2.548
84 H DBB 12 HN DBB 12 13.038 4.608 -0.899
85 HA DBB 12 HA DBB 12 12.694 4.147 1.351
86 HB2 DBB 12 HB2 DBB 12 13.322 5.610 3.021
87 HG1 DBB 12 HG1 DBB 12 15.833 5.590 1.600
88 HG2 DBB 12 HG2 DBB 12 15.521 6.015 3.284
89 HG3 DBB 12 HG3 DBB 12 15.386 7.242 2.025
90 H ILE 13 HN ILE 13 14.242 2.618 -0.231
91 HA ILE 13 HA ILE 13 15.738 0.888 -0.095
92 HB ILE 13 HB ILE 13 17.483 2.708 1.556
93 HG12 ILE 13 HG12 ILE 13 18.124 2.931 -1.196
94 HG13 ILE 13 HG11 ILE 13 16.385 3.199 -1.064
95 HG21 ILE 13 HG21 ILE 13 19.105 1.473 -0.181
96 HG22 ILE 13 HG22 ILE 13 17.804 0.282 -0.153
97 HG23 ILE 13 HG23 ILE 13 18.631 0.719 1.342
98 HD11 ILE 13 HD11 ILE 13 17.746 4.551 1.093
99 HD12 ILE 13 HD12 ILE 13 16.717 5.234 -0.167
100 HD13 ILE 13 HD13 ILE 13 18.447 5.033 -0.452
101 H ASN 14 HN ASN 14 13.940 1.873 2.347
102 HA ASN 14 HA ASN 14 13.899 -0.374 3.872
103 HB2 ASN 14 HB2 ASN 14 15.849 -0.503 4.971
104 HB3 ASN 14 HB1 ASN 14 16.364 1.056 4.334
105 HD21 ASN 14 HD21 ASN 14 16.644 2.647 5.902
106 HD22 ASN 14 HD22 ASN 14 15.886 2.658 7.420
107 H VAL 15 HN VAL 15 13.534 3.001 3.553
108 HA VAL 15 HA VAL 15 11.303 2.960 5.439
109 HB VAL 15 HB VAL 15 12.061 5.129 6.432
110 HG11 VAL 15 HG11 VAL 15 13.509 2.532 6.778
111 HG12 VAL 15 HG12 VAL 15 12.432 3.369 7.895
112 HG13 VAL 15 HG13 VAL 15 14.084 3.942 7.666
113 HG21 VAL 15 HG21 VAL 15 14.826 4.984 6.068
114 HG22 VAL 15 HG22 VAL 15 13.747 6.172 5.336
115 HG23 VAL 15 HG23 VAL 15 14.171 4.704 4.455
116 H CYS 16 HN CYS 16 12.066 6.102 4.918
117 HA CYS 16 HA CYS 16 10.164 7.260 3.721
118 HB2 CYS 16 HB2 CYS 16 11.550 8.750 2.658
119 HB3 CYS 16 HB1 CYS 16 12.747 7.909 3.643
Start of MODEL 15
1 H1 PHE 1 HT1 PHE 1 12.982 -2.652 5.574
2 H2 PHE 1 HT2 PHE 1 13.573 -3.611 6.846
3 H3 PHE 1 HT3 PHE 1 13.007 -2.039 7.154
4 HA PHE 1 HA PHE 1 11.513 -4.507 6.704
5 HB2 PHE 1 HB2 PHE 1 11.090 -1.995 8.351
6 HB3 PHE 1 HB1 PHE 1 10.025 -3.401 8.370
7 HD1 PHE 1 HD1 PHE 1 13.128 -1.973 9.582
8 HD2 PHE 1 HD2 PHE 1 10.948 -5.642 9.096
9 HE1 PHE 1 HE1 PHE 1 14.608 -3.073 11.240
10 HE2 PHE 1 HE2 PHE 1 12.429 -6.742 10.754
11 HZ PHE 1 HZ PHE 1 14.260 -5.457 11.826
12 H PHE 2 HN PHE 2 11.905 -1.465 5.259
13 HA PHE 2 HA PHE 2 9.138 -1.397 4.254
14 HB2 PHE 2 HB2 PHE 2 9.847 0.734 5.070
15 HB3 PHE 2 HB1 PHE 2 11.379 0.629 4.204
16 HD1 PHE 2 HD1 PHE 2 8.165 -0.474 2.762
17 HD2 PHE 2 HD2 PHE 2 11.093 2.659 2.927
18 HE1 PHE 2 HE1 PHE 2 7.129 0.599 0.781
19 HE2 PHE 2 HE2 PHE 2 10.062 3.734 0.946
20 HZ PHE 2 HZ PHE 2 8.077 2.703 -0.129
21 H CYS 3 HN CYS 3 9.343 -3.187 2.828
22 HA CYS 3 HA CYS 3 11.193 -2.808 0.568
23 HB2 CYS 3 HB2 CYS 3 10.238 -5.114 2.010
24 HB3 CYS 3 HB1 CYS 3 9.833 -5.263 0.301
25 H VAL 4 HN VAL 4 10.468 -2.324 -1.422
26 HA VAL 4 HA VAL 4 7.542 -2.339 -1.856
27 HB VAL 4 HB VAL 4 7.971 -0.450 -3.452
28 HG11 VAL 4 HG11 VAL 4 7.583 1.018 -1.759
29 HG12 VAL 4 HG12 VAL 4 9.069 0.580 -0.917
30 HG13 VAL 4 HG13 VAL 4 7.623 -0.412 -0.730
31 HG21 VAL 4 HG21 VAL 4 10.133 -0.157 -4.055
32 HG22 VAL 4 HG22 VAL 4 10.715 -1.125 -2.702
33 HG23 VAL 4 HG23 VAL 4 10.365 0.588 -2.474
34 H GLN 5 HN GLN 5 6.825 -3.546 -3.494
35 HA GLN 5 HA GLN 5 6.949 -5.180 -5.138
36 HB2 GLN 5 HB2 GLN 5 8.194 -4.103 -7.216
37 HB3 GLN 5 HB1 GLN 5 6.633 -3.489 -6.673
38 HG2 GLN 5 HG2 GLN 5 7.790 -1.774 -5.312
39 HG3 GLN 5 HG1 GLN 5 9.342 -2.374 -5.894
40 HE21 GLN 5 HE21 GLN 5 8.127 -2.900 -8.641
41 HE22 GLN 5 HE22 GLN 5 8.023 -1.363 -9.359
42 H GLY 6 HN GLY 6 8.458 -6.410 -3.649
43 HA2 GLY 6 HA2 GLY 6 10.267 -7.818 -3.451
44 HA3 GLY 6 HA1 GLY 6 10.593 -7.495 -5.151
45 H DBB 7 HN DBB 7 11.036 -6.196 -1.882
46 HA DBB 7 HA DBB 7 13.607 -5.727 -1.663
47 HB2 DBB 7 HB2 DBB 7 11.396 -3.763 -1.104
48 HG1 DBB 7 HG1 DBB 7 13.706 -3.101 0.402
49 HG2 DBB 7 HG2 DBB 7 12.902 -2.115 -0.819
50 HG3 DBB 7 HG3 DBB 7 14.212 -3.200 -1.285
51 H ALA 8 HN ALA 8 11.557 -3.502 -3.556
52 HA ALA 8 HA ALA 8 13.934 -2.824 -5.167
53 HB1 ALA 8 HB1 ALA 8 11.736 -1.791 -6.489
54 HB2 ALA 8 HB2 ALA 8 11.115 -3.285 -5.788
55 HB3 ALA 8 HB3 ALA 8 12.522 -3.329 -6.850
56 H ASN 9 HN ASN 9 13.106 -1.664 -2.519
57 HA ASN 9 HA ASN 9 12.324 1.063 -3.194
58 HB2 ASN 9 HB2 ASN 9 11.477 -0.114 -1.139
59 HB3 ASN 9 HB1 ASN 9 13.120 -0.064 -0.508
60 HD21 ASN 9 HD21 ASN 9 12.247 1.336 1.261
61 HD22 ASN 9 HD22 ASN 9 11.998 2.991 0.958
62 H ARG 10 HN ARG 10 13.874 2.306 -4.049
63 HA ARG 10 HA ARG 10 16.542 2.271 -2.772
64 HB2 ARG 10 HB2 ARG 10 15.726 2.430 -5.643
65 HB3 ARG 10 HB1 ARG 10 17.191 3.264 -5.126
66 HG2 ARG 10 HG2 ARG 10 17.559 0.888 -5.917
67 HG3 ARG 10 HG1 ARG 10 18.148 1.214 -4.286
68 HD2 ARG 10 HD2 ARG 10 16.444 0.002 -3.280
69 HD3 ARG 10 HD1 ARG 10 15.336 0.239 -4.628
70 HE ARG 10 HE ARG 10 17.176 -1.928 -4.313
71 HH11 ARG 10 HH11 ARG 10 15.718 0.202 -6.616
72 HH12 ARG 10 HH12 ARG 10 15.841 -0.915 -7.934
73 HH21 ARG 10 HH21 ARG 10 17.341 -3.399 -6.036
74 HH22 ARG 10 HH22 ARG 10 16.759 -2.954 -7.606
75 H PHE 11 HN PHE 11 13.916 3.903 -2.503
76 HA PHE 11 HA PHE 11 15.170 6.565 -2.796
77 HB2 PHE 11 HB2 PHE 11 12.775 7.399 -2.808
78 HB3 PHE 11 HB1 PHE 11 13.286 6.505 -4.240
79 HD1 PHE 11 HD1 PHE 11 11.502 6.164 -0.983
80 HD2 PHE 11 HD2 PHE 11 12.229 4.476 -4.861
81 HE1 PHE 11 HE1 PHE 11 9.697 4.517 -0.599
82 HE2 PHE 11 HE2 PHE 11 10.425 2.830 -4.489
83 HZ PHE 11 HZ PHE 11 9.150 2.844 -2.362
84 H DBB 12 HN DBB 12 13.705 4.287 -0.668
85 HA DBB 12 HA DBB 12 12.627 5.657 1.408
86 HB2 DBB 12 HB2 DBB 12 14.845 5.855 2.854
87 HG1 DBB 12 HG1 DBB 12 16.099 7.049 0.505
88 HG2 DBB 12 HG2 DBB 12 15.900 5.306 0.322
89 HG3 DBB 12 HG3 DBB 12 16.791 5.950 1.701
90 H ILE 13 HN ILE 13 15.607 3.712 1.221
91 HA ILE 13 HA ILE 13 14.578 1.210 1.663
92 HB ILE 13 HB ILE 13 17.072 1.902 3.138
93 HG12 ILE 13 HG12 ILE 13 17.392 3.380 1.301
94 HG13 ILE 13 HG11 ILE 13 18.228 1.899 0.832
95 HG21 ILE 13 HG21 ILE 13 15.967 -0.433 2.480
96 HG22 ILE 13 HG22 ILE 13 17.718 -0.220 2.467
97 HG23 ILE 13 HG23 ILE 13 16.807 -0.132 0.958
98 HD11 ILE 13 HD11 ILE 13 16.953 1.828 -1.020
99 HD12 ILE 13 HD12 ILE 13 16.006 3.210 -0.466
100 HD13 ILE 13 HD13 ILE 13 15.544 1.576 0.009
101 H ASN 14 HN ASN 14 15.134 3.757 4.012
102 HA ASN 14 HA ASN 14 14.157 1.996 6.164
103 HB2 ASN 14 HB2 ASN 14 16.299 3.182 6.549
104 HB3 ASN 14 HB1 ASN 14 15.459 4.719 6.353
105 HD21 ASN 14 HD21 ASN 14 16.000 2.026 8.547
106 HD22 ASN 14 HD22 ASN 14 15.129 2.675 9.852
107 H VAL 15 HN VAL 15 12.295 2.884 4.252
108 HA VAL 15 HA VAL 15 10.153 3.729 4.219
109 HB VAL 15 HB VAL 15 10.611 4.653 7.058
110 HG11 VAL 15 HG11 VAL 15 8.487 5.358 6.756
111 HG12 VAL 15 HG12 VAL 15 8.026 3.657 6.682
112 HG13 VAL 15 HG13 VAL 15 8.370 4.544 5.197
113 HG21 VAL 15 HG21 VAL 15 11.120 2.126 6.394
114 HG22 VAL 15 HG22 VAL 15 9.359 2.011 6.401
115 HG23 VAL 15 HG23 VAL 15 10.218 2.511 7.859
116 H CYS 16 HN CYS 16 11.677 5.226 2.840
117 HA CYS 16 HA CYS 16 10.952 7.962 3.573
118 HB2 CYS 16 HB2 CYS 16 13.041 8.743 3.861
119 HB3 CYS 16 HB1 CYS 16 13.519 7.056 4.043
Start of MODEL 16
1 H1 PHE 1 HT1 PHE 1 14.545 -2.413 7.269
2 H2 PHE 1 HT2 PHE 1 13.106 -1.748 7.881
3 H3 PHE 1 HT3 PHE 1 13.551 -1.474 6.265
4 HA PHE 1 HA PHE 1 13.461 -4.009 6.023
5 HB2 PHE 1 HB2 PHE 1 11.824 -3.511 8.528
6 HB3 PHE 1 HB1 PHE 1 11.772 -5.000 7.584
7 HD1 PHE 1 HD1 PHE 1 13.616 -3.063 10.040
8 HD2 PHE 1 HD2 PHE 1 13.865 -6.381 7.322
9 HE1 PHE 1 HE1 PHE 1 15.625 -3.893 11.235
10 HE2 PHE 1 HE2 PHE 1 15.874 -7.210 8.518
11 HZ PHE 1 HZ PHE 1 16.754 -5.965 10.474
12 H PHE 2 HN PHE 2 12.643 -1.571 4.865
13 HA PHE 2 HA PHE 2 9.741 -1.962 4.470
14 HB2 PHE 2 HB2 PHE 2 10.174 0.275 5.187
15 HB3 PHE 2 HB1 PHE 2 11.519 0.443 4.061
16 HD1 PHE 2 HD1 PHE 2 8.153 -1.060 3.463
17 HD2 PHE 2 HD2 PHE 2 10.844 2.180 2.621
18 HE1 PHE 2 HE1 PHE 2 6.598 -0.219 1.723
19 HE2 PHE 2 HE2 PHE 2 9.291 3.021 0.883
20 HZ PHE 2 HZ PHE 2 7.166 1.822 0.433
21 H CYS 3 HN CYS 3 9.137 -2.908 2.639
22 HA CYS 3 HA CYS 3 10.775 -2.484 0.234
23 HB2 CYS 3 HB2 CYS 3 10.126 -5.057 1.547
24 HB3 CYS 3 HB1 CYS 3 9.950 -5.008 -0.208
25 H VAL 4 HN VAL 4 9.466 -1.360 -1.033
26 HA VAL 4 HA VAL 4 6.642 -1.443 -0.953
27 HB VAL 4 HB VAL 4 6.975 -0.316 -3.292
28 HG11 VAL 4 HG11 VAL 4 8.343 1.150 -1.069
29 HG12 VAL 4 HG12 VAL 4 6.674 0.637 -0.823
30 HG13 VAL 4 HG13 VAL 4 7.079 1.710 -2.164
31 HG21 VAL 4 HG21 VAL 4 9.753 0.078 -2.196
32 HG22 VAL 4 HG22 VAL 4 9.161 0.356 -3.835
33 HG23 VAL 4 HG23 VAL 4 9.412 -1.291 -3.255
34 H GLN 5 HN GLN 5 9.012 -3.039 -3.068
35 HA GLN 5 HA GLN 5 7.195 -5.181 -3.624
36 HB2 GLN 5 HB2 GLN 5 7.451 -4.591 -6.218
37 HB3 GLN 5 HB1 GLN 5 6.091 -4.012 -5.255
38 HG2 GLN 5 HG2 GLN 5 7.297 -1.905 -4.813
39 HG3 GLN 5 HG1 GLN 5 8.656 -2.480 -5.777
40 HE21 GLN 5 HE21 GLN 5 8.133 -0.458 -7.117
41 HE22 GLN 5 HE22 GLN 5 6.928 -0.595 -8.314
42 H GLY 6 HN GLY 6 8.822 -6.589 -3.096
43 HA2 GLY 6 HA2 GLY 6 10.616 -7.976 -3.518
44 HA3 GLY 6 HA1 GLY 6 10.712 -7.254 -5.121
45 H DBB 7 HN DBB 7 10.833 -5.245 -2.286
46 HA DBB 7 HA DBB 7 13.622 -5.207 -1.848
47 HB2 DBB 7 HB2 DBB 7 11.406 -3.249 -1.289
48 HG1 DBB 7 HG1 DBB 7 12.910 -1.593 -1.053
49 HG2 DBB 7 HG2 DBB 7 14.224 -2.686 -1.487
50 HG3 DBB 7 HG3 DBB 7 13.713 -2.546 0.195
51 H ALA 8 HN ALA 8 11.510 -3.142 -3.816
52 HA ALA 8 HA ALA 8 13.744 -2.544 -5.593
53 HB1 ALA 8 HB1 ALA 8 11.458 -1.160 -6.452
54 HB2 ALA 8 HB2 ALA 8 10.868 -2.699 -5.826
55 HB3 ALA 8 HB3 ALA 8 12.089 -2.675 -7.098
56 H ASN 9 HN ASN 9 12.776 -1.285 -2.764
57 HA ASN 9 HA ASN 9 12.765 1.530 -3.471
58 HB2 ASN 9 HB2 ASN 9 11.425 0.602 -1.576
59 HB3 ASN 9 HB1 ASN 9 12.933 0.251 -0.735
60 HD21 ASN 9 HD21 ASN 9 11.111 2.042 0.450
61 HD22 ASN 9 HD22 ASN 9 11.750 3.619 0.385
62 H ARG 10 HN ARG 10 14.679 2.240 -4.232
63 HA ARG 10 HA ARG 10 17.154 1.531 -2.804
64 HB2 ARG 10 HB2 ARG 10 16.503 2.478 -5.557
65 HB3 ARG 10 HB1 ARG 10 18.069 2.925 -4.878
66 HG2 ARG 10 HG2 ARG 10 18.200 0.788 -6.121
67 HG3 ARG 10 HG1 ARG 10 18.555 0.560 -4.407
68 HD2 ARG 10 HD2 ARG 10 16.521 -0.493 -3.985
69 HD3 ARG 10 HD1 ARG 10 15.729 0.260 -5.367
70 HE ARG 10 HE ARG 10 16.640 -1.408 -6.756
71 HH11 ARG 10 HH11 ARG 10 17.816 -1.578 -3.506
72 HH12 ARG 10 HH12 ARG 10 18.505 -3.156 -3.692
73 HH21 ARG 10 HH21 ARG 10 17.537 -3.478 -7.005
74 HH22 ARG 10 HH22 ARG 10 18.347 -4.232 -5.673
75 H PHE 11 HN PHE 11 14.852 3.700 -2.405
76 HA PHE 11 HA PHE 11 16.702 5.935 -1.847
77 HB2 PHE 11 HB2 PHE 11 14.540 7.334 -1.890
78 HB3 PHE 11 HB1 PHE 11 15.148 6.751 -3.439
79 HD1 PHE 11 HD1 PHE 11 12.274 7.024 -1.437
80 HD2 PHE 11 HD2 PHE 11 14.274 4.289 -4.079
81 HE1 PHE 11 HE1 PHE 11 10.147 5.800 -1.783
82 HE2 PHE 11 HE2 PHE 11 12.146 3.068 -4.425
83 HZ PHE 11 HZ PHE 11 10.091 3.813 -3.267
84 H DBB 12 HN DBB 12 13.430 5.129 -0.708
85 HA DBB 12 HA DBB 12 12.532 4.829 1.342
86 HB2 DBB 12 HB2 DBB 12 13.189 6.328 3.103
87 HG1 DBB 12 HG1 DBB 12 15.253 7.406 3.272
88 HG2 DBB 12 HG2 DBB 12 15.595 7.232 1.550
89 HG3 DBB 12 HG3 DBB 12 15.725 5.837 2.619
90 H ILE 13 HN ILE 13 13.909 2.769 0.554
91 HA ILE 13 HA ILE 13 14.687 0.783 1.377
92 HB ILE 13 HB ILE 13 16.844 2.430 2.691
93 HG12 ILE 13 HG12 ILE 13 17.373 1.670 -0.072
94 HG13 ILE 13 HG11 ILE 13 15.992 2.762 0.041
95 HG21 ILE 13 HG21 ILE 13 17.962 0.468 2.745
96 HG22 ILE 13 HG22 ILE 13 17.572 0.123 1.060
97 HG23 ILE 13 HG23 ILE 13 16.431 -0.307 2.334
98 HD11 ILE 13 HD11 ILE 13 17.896 4.182 -0.131
99 HD12 ILE 13 HD12 ILE 13 18.810 3.221 1.031
100 HD13 ILE 13 HD13 ILE 13 17.451 4.206 1.576
101 H ASN 14 HN ASN 14 13.060 2.721 3.206
102 HA ASN 14 HA ASN 14 12.882 0.947 5.432
103 HB2 ASN 14 HB2 ASN 14 14.351 3.553 5.772
104 HB3 ASN 14 HB1 ASN 14 13.472 2.822 7.113
105 HD21 ASN 14 HD21 ASN 14 14.037 0.039 6.337
106 HD22 ASN 14 HD22 ASN 14 15.687 -0.221 6.633
107 H VAL 15 HN VAL 15 12.204 4.093 4.008
108 HA VAL 15 HA VAL 15 9.399 3.821 4.550
109 HB VAL 15 HB VAL 15 9.738 4.628 6.703
110 HG11 VAL 15 HG11 VAL 15 12.202 5.577 5.573
111 HG12 VAL 15 HG12 VAL 15 11.778 5.384 7.274
112 HG13 VAL 15 HG13 VAL 15 11.429 6.901 6.444
113 HG21 VAL 15 HG21 VAL 15 8.442 6.481 6.591
114 HG22 VAL 15 HG22 VAL 15 8.581 6.337 4.838
115 HG23 VAL 15 HG23 VAL 15 9.685 7.387 5.728
116 H CYS 16 HN CYS 16 11.072 6.912 4.487
117 HA CYS 16 HA CYS 16 11.183 8.577 2.913
118 HB2 CYS 16 HB2 CYS 16 11.224 6.103 1.309
119 HB3 CYS 16 HB1 CYS 16 10.696 7.545 0.445
Start of MODEL 17
1 H1 PHE 1 HT1 PHE 1 11.614 -2.368 8.915
2 H2 PHE 1 HT2 PHE 1 10.548 -1.370 8.047
3 H3 PHE 1 HT3 PHE 1 12.197 -1.412 7.643
4 HA PHE 1 HA PHE 1 12.058 -3.396 6.569
5 HB2 PHE 1 HB2 PHE 1 11.235 -4.661 8.480
6 HB3 PHE 1 HB1 PHE 1 9.634 -3.941 8.306
7 HD1 PHE 1 HD1 PHE 1 12.168 -5.951 6.416
8 HD2 PHE 1 HD2 PHE 1 8.019 -4.980 6.960
9 HE1 PHE 1 HE1 PHE 1 11.540 -7.725 4.801
10 HE2 PHE 1 HE2 PHE 1 7.392 -6.754 5.345
11 HZ PHE 1 HZ PHE 1 9.153 -8.127 4.265
12 H PHE 2 HN PHE 2 11.541 -1.317 5.253
13 HA PHE 2 HA PHE 2 8.787 -1.448 4.197
14 HB2 PHE 2 HB2 PHE 2 9.275 0.768 4.907
15 HB3 PHE 2 HB1 PHE 2 10.872 0.733 4.159
16 HD1 PHE 2 HD1 PHE 2 7.644 -0.478 2.744
17 HD2 PHE 2 HD2 PHE 2 10.758 2.476 2.562
18 HE1 PHE 2 HE1 PHE 2 6.683 0.411 0.635
19 HE2 PHE 2 HE2 PHE 2 9.798 3.368 0.466
20 HZ PHE 2 HZ PHE 2 7.756 2.337 -0.500
21 H CYS 3 HN CYS 3 8.552 -2.569 2.388
22 HA CYS 3 HA CYS 3 10.612 -2.331 0.312
23 HB2 CYS 3 HB2 CYS 3 9.845 -4.782 1.748
24 HB3 CYS 3 HB1 CYS 3 9.826 -4.924 -0.009
25 H VAL 4 HN VAL 4 9.420 -1.212 -1.144
26 HA VAL 4 HA VAL 4 6.647 -1.556 -1.595
27 HB VAL 4 HB VAL 4 7.303 -0.416 -3.862
28 HG11 VAL 4 HG11 VAL 4 6.446 1.273 -2.646
29 HG12 VAL 4 HG12 VAL 4 8.065 1.574 -2.011
30 HG13 VAL 4 HG13 VAL 4 6.963 0.501 -1.147
31 HG21 VAL 4 HG21 VAL 4 9.469 0.568 -3.928
32 HG22 VAL 4 HG22 VAL 4 9.752 -1.108 -3.457
33 HG23 VAL 4 HG23 VAL 4 9.788 0.169 -2.239
34 H GLN 5 HN GLN 5 9.498 -2.816 -3.299
35 HA GLN 5 HA GLN 5 7.825 -4.984 -4.359
36 HB2 GLN 5 HB2 GLN 5 9.707 -3.373 -6.102
37 HB3 GLN 5 HB1 GLN 5 8.662 -4.701 -6.610
38 HG2 GLN 5 HG2 GLN 5 7.670 -2.097 -5.416
39 HG3 GLN 5 HG1 GLN 5 7.701 -2.456 -7.142
40 HE21 GLN 5 HE21 GLN 5 5.416 -2.132 -5.010
41 HE22 GLN 5 HE22 GLN 5 4.426 -3.479 -5.316
42 H GLY 6 HN GLY 6 8.802 -6.684 -3.416
43 HA2 GLY 6 HA2 GLY 6 10.496 -8.030 -2.568
44 HA3 GLY 6 HA1 GLY 6 11.103 -7.863 -4.213
45 H DBB 7 HN DBB 7 10.863 -5.000 -2.310
46 HA DBB 7 HA DBB 7 13.608 -5.140 -1.342
47 HB2 DBB 7 HB2 DBB 7 11.375 -3.146 -1.073
48 HG1 DBB 7 HG1 DBB 7 13.419 -2.284 0.595
49 HG2 DBB 7 HG2 DBB 7 12.949 -1.522 -0.925
50 HG3 DBB 7 HG3 DBB 7 14.266 -2.694 -0.898
51 H ALA 8 HN ALA 8 11.695 -3.294 -3.691
52 HA ALA 8 HA ALA 8 14.185 -2.595 -5.083
53 HB1 ALA 8 HB1 ALA 8 11.560 -1.906 -6.271
54 HB2 ALA 8 HB2 ALA 8 11.902 -3.627 -6.085
55 HB3 ALA 8 HB3 ALA 8 12.991 -2.608 -7.025
56 H ASN 9 HN ASN 9 13.225 -1.248 -2.615
57 HA ASN 9 HA ASN 9 12.368 1.387 -3.525
58 HB2 ASN 9 HB2 ASN 9 11.470 0.409 -1.433
59 HB3 ASN 9 HB1 ASN 9 13.096 0.431 -0.751
60 HD21 ASN 9 HD21 ASN 9 11.650 1.909 0.818
61 HD22 ASN 9 HD22 ASN 9 11.703 3.571 0.464
62 H ARG 10 HN ARG 10 13.986 2.420 -4.585
63 HA ARG 10 HA ARG 10 16.635 2.562 -3.290
64 HB2 ARG 10 HB2 ARG 10 16.366 3.744 -5.958
65 HB3 ARG 10 HB1 ARG 10 17.553 2.595 -5.353
66 HG2 ARG 10 HG2 ARG 10 14.716 1.892 -6.159
67 HG3 ARG 10 HG1 ARG 10 16.150 1.609 -7.149
68 HD2 ARG 10 HD2 ARG 10 15.693 0.464 -4.381
69 HD3 ARG 10 HD1 ARG 10 15.477 -0.421 -5.887
70 HE ARG 10 HE ARG 10 17.998 0.252 -4.625
71 HH11 ARG 10 HH11 ARG 10 16.327 -0.557 -7.544
72 HH12 ARG 10 HH12 ARG 10 17.730 -1.190 -8.338
73 HH21 ARG 10 HH21 ARG 10 19.846 -0.577 -5.659
74 HH22 ARG 10 HH22 ARG 10 19.722 -1.201 -7.270
75 H PHE 11 HN PHE 11 14.459 4.039 -2.250
76 HA PHE 11 HA PHE 11 15.547 6.725 -2.503
77 HB2 PHE 11 HB2 PHE 11 13.264 7.695 -2.852
78 HB3 PHE 11 HB1 PHE 11 13.903 6.818 -4.244
79 HD1 PHE 11 HD1 PHE 11 11.749 6.384 -1.211
80 HD2 PHE 11 HD2 PHE 11 12.714 5.014 -5.166
81 HE1 PHE 11 HE1 PHE 11 9.799 4.857 -1.144
82 HE2 PHE 11 HE2 PHE 11 10.773 3.486 -5.118
83 HZ PHE 11 HZ PHE 11 9.308 3.395 -3.115
84 H DBB 12 HN DBB 12 13.914 4.280 -0.818
85 HA DBB 12 HA DBB 12 12.408 5.315 1.140
86 HB2 DBB 12 HB2 DBB 12 14.272 5.741 2.958
87 HG1 DBB 12 HG1 DBB 12 15.828 7.179 0.975
88 HG2 DBB 12 HG2 DBB 12 15.825 5.453 0.620
89 HG3 DBB 12 HG3 DBB 12 16.382 6.028 2.193
90 H ILE 13 HN ILE 13 15.281 3.443 0.486
91 HA ILE 13 HA ILE 13 14.448 0.960 0.919
92 HB ILE 13 HB ILE 13 17.016 1.615 2.295
93 HG12 ILE 13 HG12 ILE 13 17.883 1.681 -0.224
94 HG13 ILE 13 HG11 ILE 13 16.272 2.335 -0.515
95 HG21 ILE 13 HG21 ILE 13 16.845 -0.252 0.011
96 HG22 ILE 13 HG22 ILE 13 15.838 -0.683 1.392
97 HG23 ILE 13 HG23 ILE 13 17.578 -0.483 1.598
98 HD11 ILE 13 HD11 ILE 13 18.546 3.512 1.008
99 HD12 ILE 13 HD12 ILE 13 16.923 3.812 1.628
100 HD13 ILE 13 HD13 ILE 13 17.346 4.306 -0.011
101 H ASN 14 HN ASN 14 15.557 3.068 3.565
102 HA ASN 14 HA ASN 14 15.055 1.238 5.654
103 HB2 ASN 14 HB2 ASN 14 15.198 4.254 5.597
104 HB3 ASN 14 HB1 ASN 14 14.995 3.329 7.085
105 HD21 ASN 14 HD21 ASN 14 17.334 4.921 6.642
106 HD22 ASN 14 HD22 ASN 14 18.664 3.878 6.477
107 H VAL 15 HN VAL 15 13.043 3.723 4.146
108 HA VAL 15 HA VAL 15 10.602 2.597 4.289
109 HB VAL 15 HB VAL 15 10.753 2.119 6.626
110 HG11 VAL 15 HG11 VAL 15 11.024 4.264 8.152
111 HG12 VAL 15 HG12 VAL 15 11.838 4.910 6.727
112 HG13 VAL 15 HG13 VAL 15 12.446 3.447 7.502
113 HG21 VAL 15 HG21 VAL 15 8.636 3.280 5.656
114 HG22 VAL 15 HG22 VAL 15 9.166 4.679 6.591
115 HG23 VAL 15 HG23 VAL 15 8.797 3.160 7.408
116 H CYS 16 HN CYS 16 12.511 5.069 3.672
117 HA CYS 16 HA CYS 16 10.542 7.215 3.884
118 HB2 CYS 16 HB2 CYS 16 12.300 8.651 3.728
119 HB3 CYS 16 HB1 CYS 16 13.235 7.228 4.186
Start of MODEL 18
1 H1 PHE 1 HT1 PHE 1 12.322 -1.514 8.210
2 H2 PHE 1 HT2 PHE 1 11.837 -2.752 9.268
3 H3 PHE 1 HT3 PHE 1 10.672 -1.793 8.487
4 HA PHE 1 HA PHE 1 12.552 -3.250 6.795
5 HB2 PHE 1 HB2 PHE 1 10.280 -4.526 8.342
6 HB3 PHE 1 HB1 PHE 1 11.048 -5.263 6.936
7 HD1 PHE 1 HD1 PHE 1 11.346 -4.523 10.486
8 HD2 PHE 1 HD2 PHE 1 13.486 -5.840 7.003
9 HE1 PHE 1 HE1 PHE 1 13.161 -5.397 11.932
10 HE2 PHE 1 HE2 PHE 1 15.303 -6.713 8.449
11 HZ PHE 1 HZ PHE 1 15.139 -6.492 10.913
12 H PHE 2 HN PHE 2 11.916 -1.567 5.340
13 HA PHE 2 HA PHE 2 9.100 -1.753 4.450
14 HB2 PHE 2 HB2 PHE 2 9.530 0.468 5.251
15 HB3 PHE 2 HB1 PHE 2 11.041 0.562 4.347
16 HD1 PHE 2 HD1 PHE 2 7.826 -0.879 3.147
17 HD2 PHE 2 HD2 PHE 2 10.589 2.400 2.902
18 HE1 PHE 2 HE1 PHE 2 6.591 0.015 1.190
19 HE2 PHE 2 HE2 PHE 2 9.355 3.294 0.947
20 HZ PHE 2 HZ PHE 2 7.356 2.103 0.092
21 H CYS 3 HN CYS 3 9.007 -3.043 2.725
22 HA CYS 3 HA CYS 3 11.039 -2.677 0.606
23 HB2 CYS 3 HB2 CYS 3 10.227 -5.075 1.994
24 HB3 CYS 3 HB1 CYS 3 9.862 -5.211 0.273
25 H VAL 4 HN VAL 4 10.301 -2.258 -1.398
26 HA VAL 4 HA VAL 4 7.381 -2.425 -1.839
27 HB VAL 4 HB VAL 4 7.780 -0.527 -3.480
28 HG11 VAL 4 HG11 VAL 4 6.836 -0.279 -1.155
29 HG12 VAL 4 HG12 VAL 4 7.678 1.155 -1.744
30 HG13 VAL 4 HG13 VAL 4 8.469 0.078 -0.594
31 HG21 VAL 4 HG21 VAL 4 10.309 -0.976 -3.478
32 HG22 VAL 4 HG22 VAL 4 10.341 -0.164 -1.912
33 HG23 VAL 4 HG23 VAL 4 9.814 0.713 -3.350
34 H GLN 5 HN GLN 5 6.727 -3.624 -3.514
35 HA GLN 5 HA GLN 5 6.953 -5.257 -5.151
36 HB2 GLN 5 HB2 GLN 5 8.222 -4.076 -7.192
37 HB3 GLN 5 HB1 GLN 5 6.581 -3.631 -6.721
38 HG2 GLN 5 HG2 GLN 5 7.458 -1.803 -5.328
39 HG3 GLN 5 HG1 GLN 5 9.107 -2.257 -5.754
40 HE21 GLN 5 HE21 GLN 5 7.824 0.336 -6.357
41 HE22 GLN 5 HE22 GLN 5 7.812 0.480 -8.051
42 H GLY 6 HN GLY 6 8.492 -6.444 -3.670
43 HA2 GLY 6 HA2 GLY 6 10.368 -7.757 -3.442
44 HA3 GLY 6 HA1 GLY 6 10.689 -7.426 -5.140
45 H DBB 7 HN DBB 7 11.037 -6.054 -1.882
46 HA DBB 7 HA DBB 7 13.600 -5.491 -1.652
47 HB2 DBB 7 HB2 DBB 7 11.290 -3.649 -1.106
48 HG1 DBB 7 HG1 DBB 7 14.147 -2.996 -1.192
49 HG2 DBB 7 HG2 DBB 7 13.401 -2.650 0.368
50 HG3 DBB 7 HG3 DBB 7 12.751 -1.923 -1.102
51 H ALA 8 HN ALA 8 11.461 -3.333 -3.523
52 HA ALA 8 HA ALA 8 13.809 -2.545 -5.135
53 HB1 ALA 8 HB1 ALA 8 12.450 -2.398 -6.990
54 HB2 ALA 8 HB2 ALA 8 11.015 -2.014 -6.039
55 HB3 ALA 8 HB3 ALA 8 11.611 -3.672 -6.105
56 H ASN 9 HN ASN 9 13.576 -1.261 -2.720
57 HA ASN 9 HA ASN 9 12.031 1.150 -2.914
58 HB2 ASN 9 HB2 ASN 9 13.379 -0.197 -0.891
59 HB3 ASN 9 HB1 ASN 9 14.318 1.274 -1.117
60 HD21 ASN 9 HD21 ASN 9 12.816 0.886 1.258
61 HD22 ASN 9 HD22 ASN 9 11.536 2.006 1.278
62 H ARG 10 HN ARG 10 15.514 1.191 -2.301
63 HA ARG 10 HA ARG 10 17.207 2.440 -3.210
64 HB2 ARG 10 HB2 ARG 10 15.491 1.974 -5.640
65 HB3 ARG 10 HB1 ARG 10 17.044 2.805 -5.718
66 HG2 ARG 10 HG2 ARG 10 17.391 0.445 -6.206
67 HG3 ARG 10 HG1 ARG 10 18.107 0.814 -4.635
68 HD2 ARG 10 HD2 ARG 10 16.224 -0.129 -3.469
69 HD3 ARG 10 HD1 ARG 10 15.305 -0.287 -4.964
70 HE ARG 10 HE ARG 10 17.449 -2.039 -4.041
71 HH11 ARG 10 HH11 ARG 10 15.410 -0.946 -6.613
72 HH12 ARG 10 HH12 ARG 10 15.600 -2.382 -7.564
73 HH21 ARG 10 HH21 ARG 10 17.706 -3.932 -5.286
74 HH22 ARG 10 HH22 ARG 10 16.899 -4.072 -6.812
75 H PHE 11 HN PHE 11 15.362 3.899 -1.803
76 HA PHE 11 HA PHE 11 15.883 6.536 -2.527
77 HB2 PHE 11 HB2 PHE 11 13.774 7.314 -3.452
78 HB3 PHE 11 HB1 PHE 11 14.393 6.016 -4.476
79 HD1 PHE 11 HD1 PHE 11 12.236 6.516 -1.451
80 HD2 PHE 11 HD2 PHE 11 12.989 4.235 -5.007
81 HE1 PHE 11 HE1 PHE 11 10.195 5.184 -1.017
82 HE2 PHE 11 HE2 PHE 11 10.952 2.899 -4.583
83 HZ PHE 11 HZ PHE 11 9.550 3.365 -2.592
84 H DBB 12 HN DBB 12 14.164 4.143 -0.839
85 HA DBB 12 HA DBB 12 12.304 5.180 0.726
86 HB2 DBB 12 HB2 DBB 12 13.771 5.928 2.792
87 HG1 DBB 12 HG1 DBB 12 15.920 6.440 2.357
88 HG2 DBB 12 HG2 DBB 12 15.467 7.396 0.945
89 HG3 DBB 12 HG3 DBB 12 15.716 5.656 0.792
90 H ILE 13 HN ILE 13 15.444 3.634 0.958
91 HA ILE 13 HA ILE 13 14.623 1.101 1.546
92 HB ILE 13 HB ILE 13 17.029 2.110 2.997
93 HG12 ILE 13 HG12 ILE 13 17.216 3.413 1.003
94 HG13 ILE 13 HG11 ILE 13 18.218 1.987 0.728
95 HG21 ILE 13 HG21 ILE 13 17.926 0.005 2.362
96 HG22 ILE 13 HG22 ILE 13 16.751 -0.194 1.061
97 HG23 ILE 13 HG23 ILE 13 16.241 -0.343 2.744
98 HD11 ILE 13 HD11 ILE 13 15.578 2.715 -0.481
99 HD12 ILE 13 HD12 ILE 13 15.943 1.007 -0.236
100 HD13 ILE 13 HD13 ILE 13 17.001 1.999 -1.239
101 H ASN 14 HN ASN 14 15.465 3.569 3.993
102 HA ASN 14 HA ASN 14 14.802 1.975 6.231
103 HB2 ASN 14 HB2 ASN 14 16.128 4.195 6.110
104 HB3 ASN 14 HB1 ASN 14 14.549 4.970 6.212
105 HD21 ASN 14 HD21 ASN 14 14.936 5.788 8.390
106 HD22 ASN 14 HD22 ASN 14 14.992 4.746 9.729
107 H VAL 15 HN VAL 15 12.911 4.272 4.306
108 HA VAL 15 HA VAL 15 10.454 3.030 4.612
109 HB VAL 15 HB VAL 15 9.594 4.984 6.283
110 HG11 VAL 15 HG11 VAL 15 10.598 2.739 7.834
111 HG12 VAL 15 HG12 VAL 15 9.888 2.197 6.313
112 HG13 VAL 15 HG13 VAL 15 8.933 3.163 7.437
113 HG21 VAL 15 HG21 VAL 15 12.283 5.315 6.501
114 HG22 VAL 15 HG22 VAL 15 12.012 4.120 7.769
115 HG23 VAL 15 HG23 VAL 15 11.156 5.661 7.814
116 H CYS 16 HN CYS 16 11.886 6.279 4.807
117 HA CYS 16 HA CYS 16 11.531 8.175 3.568
118 HB2 CYS 16 HB2 CYS 16 11.247 5.946 1.699
119 HB3 CYS 16 HB1 CYS 16 10.512 7.452 1.164
Start of MODEL 19
1 H1 PHE 1 HT1 PHE 1 10.209 -5.535 6.086
2 H2 PHE 1 HT2 PHE 1 8.816 -4.579 6.254
3 H3 PHE 1 HT3 PHE 1 9.862 -4.799 7.573
4 HA PHE 1 HA PHE 1 10.797 -2.882 6.994
5 HB2 PHE 1 HB2 PHE 1 11.692 -4.607 4.665
6 HB3 PHE 1 HB1 PHE 1 12.426 -3.064 5.105
7 HD1 PHE 1 HD1 PHE 1 12.324 -6.602 5.761
8 HD2 PHE 1 HD2 PHE 1 13.368 -2.804 7.476
9 HE1 PHE 1 HE1 PHE 1 13.729 -7.752 7.452
10 HE2 PHE 1 HE2 PHE 1 14.773 -3.954 9.166
11 HZ PHE 1 HZ PHE 1 14.954 -6.427 9.154
12 H PHE 2 HN PHE 2 11.124 -1.208 5.157
13 HA PHE 2 HA PHE 2 8.561 -0.486 4.166
14 HB2 PHE 2 HB2 PHE 2 10.036 1.302 4.631
15 HB3 PHE 2 HB1 PHE 2 11.343 0.576 3.695
16 HD1 PHE 2 HD1 PHE 2 7.721 1.052 2.870
17 HD2 PHE 2 HD2 PHE 2 11.792 2.029 1.908
18 HE1 PHE 2 HE1 PHE 2 6.951 2.266 0.849
19 HE2 PHE 2 HE2 PHE 2 11.023 3.243 -0.114
20 HZ PHE 2 HZ PHE 2 8.602 3.361 -0.642
21 H CYS 3 HN CYS 3 11.096 -2.448 2.914
22 HA CYS 3 HA CYS 3 11.275 -2.386 0.305
23 HB2 CYS 3 HB2 CYS 3 10.804 -4.623 2.143
24 HB3 CYS 3 HB1 CYS 3 10.367 -4.975 0.471
25 H VAL 4 HN VAL 4 9.775 -1.289 -0.904
26 HA VAL 4 HA VAL 4 6.973 -1.599 -0.717
27 HB VAL 4 HB VAL 4 7.001 -0.529 -3.023
28 HG11 VAL 4 HG11 VAL 4 8.303 1.554 -2.013
29 HG12 VAL 4 HG12 VAL 4 8.271 0.576 -0.545
30 HG13 VAL 4 HG13 VAL 4 6.761 1.039 -1.330
31 HG21 VAL 4 HG21 VAL 4 9.149 0.257 -3.858
32 HG22 VAL 4 HG22 VAL 4 9.232 -1.493 -3.653
33 HG23 VAL 4 HG23 VAL 4 9.982 -0.429 -2.463
34 H GLN 5 HN GLN 5 9.375 -3.043 -2.902
35 HA GLN 5 HA GLN 5 7.615 -5.322 -3.334
36 HB2 GLN 5 HB2 GLN 5 8.284 -4.877 -5.929
37 HB3 GLN 5 HB1 GLN 5 6.750 -4.380 -5.213
38 HG2 GLN 5 HG2 GLN 5 7.688 -2.168 -4.699
39 HG3 GLN 5 HG1 GLN 5 9.240 -2.658 -5.377
40 HE21 GLN 5 HE21 GLN 5 8.216 -0.479 -6.614
41 HE22 GLN 5 HE22 GLN 5 7.514 -0.873 -8.107
42 H GLY 6 HN GLY 6 8.955 -6.949 -2.885
43 HA2 GLY 6 HA2 GLY 6 10.891 -8.200 -2.717
44 HA3 GLY 6 HA1 GLY 6 11.040 -7.818 -4.430
45 H DBB 7 HN DBB 7 11.092 -5.315 -2.002
46 HA DBB 7 HA DBB 7 13.923 -5.191 -1.664
47 HB2 DBB 7 HB2 DBB 7 11.649 -3.308 -1.080
48 HG1 DBB 7 HG1 DBB 7 14.016 -2.356 0.146
49 HG2 DBB 7 HG2 DBB 7 13.060 -1.553 -1.099
50 HG3 DBB 7 HG3 DBB 7 14.404 -2.599 -1.556
51 H ALA 8 HN ALA 8 11.696 -2.996 -3.398
52 HA ALA 8 HA ALA 8 13.917 -2.382 -5.253
53 HB1 ALA 8 HB1 ALA 8 11.721 -3.597 -6.054
54 HB2 ALA 8 HB2 ALA 8 12.439 -2.320 -7.035
55 HB3 ALA 8 HB3 ALA 8 11.050 -1.966 -6.008
56 H ASN 9 HN ASN 9 13.335 -1.054 -2.717
57 HA ASN 9 HA ASN 9 11.904 1.330 -2.982
58 HB2 ASN 9 HB2 ASN 9 14.253 0.516 -1.292
59 HB3 ASN 9 HB1 ASN 9 13.633 2.164 -1.234
60 HD21 ASN 9 HD21 ASN 9 13.446 0.505 1.063
61 HD22 ASN 9 HD22 ASN 9 11.815 0.124 1.330
62 H ARG 10 HN ARG 10 15.396 1.575 -2.636
63 HA ARG 10 HA ARG 10 16.962 2.846 -3.735
64 HB2 ARG 10 HB2 ARG 10 15.062 2.171 -5.966
65 HB3 ARG 10 HB1 ARG 10 16.430 3.249 -6.243
66 HG2 ARG 10 HG2 ARG 10 17.111 0.973 -6.770
67 HG3 ARG 10 HG1 ARG 10 17.943 1.490 -5.303
68 HD2 ARG 10 HD2 ARG 10 16.290 0.317 -3.924
69 HD3 ARG 10 HD1 ARG 10 15.398 -0.156 -5.368
70 HE ARG 10 HE ARG 10 17.083 -1.733 -5.853
71 HH11 ARG 10 HH11 ARG 10 17.832 0.258 -3.122
72 HH12 ARG 10 HH12 ARG 10 19.133 -0.744 -2.574
73 HH21 ARG 10 HH21 ARG 10 18.789 -3.051 -5.139
74 HH22 ARG 10 HH22 ARG 10 19.676 -2.617 -3.716
75 H PHE 11 HN PHE 11 15.356 4.287 -2.130
76 HA PHE 11 HA PHE 11 15.588 6.903 -2.937
77 HB2 PHE 11 HB2 PHE 11 13.332 7.546 -3.644
78 HB3 PHE 11 HB1 PHE 11 14.012 6.356 -4.755
79 HD1 PHE 11 HD1 PHE 11 12.144 6.348 -1.492
80 HD2 PHE 11 HD2 PHE 11 12.572 4.658 -5.417
81 HE1 PHE 11 HE1 PHE 11 10.225 4.840 -1.051
82 HE2 PHE 11 HE2 PHE 11 10.654 3.149 -4.977
83 HZ PHE 11 HZ PHE 11 9.481 3.240 -2.794
84 H DBB 12 HN DBB 12 14.702 4.557 -0.842
85 HA DBB 12 HA DBB 12 12.834 5.841 0.862
86 HB2 DBB 12 HB2 DBB 12 15.141 5.974 2.511
87 HG1 DBB 12 HG1 DBB 12 16.203 6.190 0.126
88 HG2 DBB 12 HG2 DBB 12 16.656 7.355 1.372
89 HG3 DBB 12 HG3 DBB 12 15.473 7.796 0.139
90 H ILE 13 HN ILE 13 15.894 4.053 1.104
91 HA ILE 13 HA ILE 13 14.707 1.531 1.562
92 HB ILE 13 HB ILE 13 17.429 2.188 2.623
93 HG12 ILE 13 HG12 ILE 13 17.546 3.406 0.597
94 HG13 ILE 13 HG11 ILE 13 18.176 1.814 0.167
95 HG21 ILE 13 HG21 ILE 13 16.587 -0.086 0.835
96 HG22 ILE 13 HG22 ILE 13 16.241 -0.128 2.564
97 HG23 ILE 13 HG23 ILE 13 17.910 -0.030 2.000
98 HD11 ILE 13 HD11 ILE 13 15.614 3.112 -0.611
99 HD12 ILE 13 HD12 ILE 13 15.558 1.377 -0.296
100 HD13 ILE 13 HD13 ILE 13 16.644 2.014 -1.530
101 H ASN 14 HN ASN 14 14.039 0.517 3.372
102 HA ASN 14 HA ASN 14 13.551 0.130 5.589
103 HB2 ASN 14 HB2 ASN 14 15.997 0.631 5.924
104 HB3 ASN 14 HB1 ASN 14 15.547 2.308 6.228
105 HD21 ASN 14 HD21 ASN 14 16.094 2.313 8.490
106 HD22 ASN 14 HD22 ASN 14 15.253 1.377 9.629
107 H VAL 15 HN VAL 15 12.118 2.044 3.949
108 HA VAL 15 HA VAL 15 10.180 3.267 4.420
109 HB VAL 15 HB VAL 15 11.317 3.906 7.140
110 HG11 VAL 15 HG11 VAL 15 8.605 3.940 5.822
111 HG12 VAL 15 HG12 VAL 15 9.423 5.237 6.693
112 HG13 VAL 15 HG13 VAL 15 8.757 3.864 7.578
113 HG21 VAL 15 HG21 VAL 15 10.783 1.842 7.940
114 HG22 VAL 15 HG22 VAL 15 10.927 1.331 6.259
115 HG23 VAL 15 HG23 VAL 15 9.343 1.722 6.930
116 H CYS 16 HN CYS 16 10.308 5.009 3.160
117 HA CYS 16 HA CYS 16 10.832 7.543 3.810
118 HB2 CYS 16 HB2 CYS 16 12.987 7.627 4.476
119 HB3 CYS 16 HB1 CYS 16 13.366 6.066 3.748
Start of MODEL 20
1 H1 PHE 1 HT1 PHE 1 10.533 -1.301 8.420
2 H2 PHE 1 HT2 PHE 1 10.006 -2.753 9.126
3 H3 PHE 1 HT3 PHE 1 8.988 -1.902 8.066
4 HA PHE 1 HA PHE 1 11.584 -2.696 7.013
5 HB2 PHE 1 HB2 PHE 1 10.918 -4.702 8.265
6 HB3 PHE 1 HB1 PHE 1 9.322 -4.654 7.515
7 HD1 PHE 1 HD1 PHE 1 12.966 -4.817 6.665
8 HD2 PHE 1 HD2 PHE 1 8.945 -5.754 5.474
9 HE1 PHE 1 HE1 PHE 1 13.837 -6.094 4.726
10 HE2 PHE 1 HE2 PHE 1 9.817 -7.030 3.535
11 HZ PHE 1 HZ PHE 1 12.263 -7.200 3.161
12 H PHE 2 HN PHE 2 11.245 -1.235 5.363
13 HA PHE 2 HA PHE 2 8.778 -1.570 3.768
14 HB2 PHE 2 HB2 PHE 2 8.983 0.698 4.542
15 HB3 PHE 2 HB1 PHE 2 10.674 0.771 4.046
16 HD1 PHE 2 HD1 PHE 2 7.652 -0.572 2.283
17 HD2 PHE 2 HD2 PHE 2 10.821 2.328 2.305
18 HE1 PHE 2 HE1 PHE 2 6.958 0.205 0.033
19 HE2 PHE 2 HE2 PHE 2 10.128 3.102 0.055
20 HZ PHE 2 HZ PHE 2 8.196 2.042 -1.082
21 H CYS 3 HN CYS 3 9.053 -2.764 1.992
22 HA CYS 3 HA CYS 3 11.578 -2.465 0.494
23 HB2 CYS 3 HB2 CYS 3 10.807 -4.792 1.865
24 HB3 CYS 3 HB1 CYS 3 10.462 -5.101 0.163
25 H VAL 4 HN VAL 4 8.885 -1.296 0.129
26 HA VAL 4 HA VAL 4 7.222 -1.123 -1.484
27 HB VAL 4 HB VAL 4 8.365 -1.260 -3.844
28 HG11 VAL 4 HG11 VAL 4 9.561 0.738 -1.940
29 HG12 VAL 4 HG12 VAL 4 7.831 0.763 -2.280
30 HG13 VAL 4 HG13 VAL 4 8.991 0.989 -3.589
31 HG21 VAL 4 HG21 VAL 4 10.310 -2.568 -3.143
32 HG22 VAL 4 HG22 VAL 4 10.716 -1.358 -1.925
33 HG23 VAL 4 HG23 VAL 4 10.841 -0.961 -3.639
34 H GLN 5 HN GLN 5 8.805 -3.027 -3.829
35 HA GLN 5 HA GLN 5 6.645 -4.975 -3.771
36 HB2 GLN 5 HB2 GLN 5 9.009 -4.865 -5.651
37 HB3 GLN 5 HB1 GLN 5 7.467 -5.683 -5.907
38 HG2 GLN 5 HG2 GLN 5 7.875 -2.691 -5.647
39 HG3 GLN 5 HG1 GLN 5 7.504 -3.562 -7.135
40 HE21 GLN 5 HE21 GLN 5 6.009 -1.632 -4.967
41 HE22 GLN 5 HE22 GLN 5 4.445 -2.305 -4.982
42 H GLY 6 HN GLY 6 10.134 -5.451 -4.304
43 HA2 GLY 6 HA2 GLY 6 10.083 -7.638 -2.313
44 HA3 GLY 6 HA1 GLY 6 10.797 -7.878 -3.904
45 H DBB 7 HN DBB 7 11.291 -4.726 -2.954
46 HA DBB 7 HA DBB 7 13.986 -5.353 -1.891
47 HB2 DBB 7 HB2 DBB 7 12.021 -3.202 -1.141
48 HG1 DBB 7 HG1 DBB 7 13.739 -1.962 -0.043
49 HG2 DBB 7 HG2 DBB 7 14.354 -2.272 -1.667
50 HG3 DBB 7 HG3 DBB 7 14.925 -3.239 -0.307
51 H ALA 8 HN ALA 8 12.007 -3.011 -3.664
52 HA ALA 8 HA ALA 8 14.396 -2.259 -5.234
53 HB1 ALA 8 HB1 ALA 8 12.227 -1.450 -6.716
54 HB2 ALA 8 HB2 ALA 8 11.640 -2.939 -5.978
55 HB3 ALA 8 HB3 ALA 8 13.108 -2.959 -6.956
56 H ASN 9 HN ASN 9 13.768 -1.058 -2.736
57 HA ASN 9 HA ASN 9 12.250 1.267 -2.817
58 HB2 ASN 9 HB2 ASN 9 14.712 0.469 -1.293
59 HB3 ASN 9 HB1 ASN 9 14.040 2.088 -1.118
60 HD21 ASN 9 HD21 ASN 9 13.008 1.981 0.908
61 HD22 ASN 9 HD22 ASN 9 11.840 0.816 1.324
62 H ARG 10 HN ARG 10 15.722 1.732 -2.592
63 HA ARG 10 HA ARG 10 17.158 3.135 -3.705
64 HB2 ARG 10 HB2 ARG 10 15.270 2.334 -5.899
65 HB3 ARG 10 HB1 ARG 10 16.594 3.461 -6.202
66 HG2 ARG 10 HG2 ARG 10 17.503 1.324 -6.698
67 HG3 ARG 10 HG1 ARG 10 18.106 1.701 -5.082
68 HD2 ARG 10 HD2 ARG 10 16.305 0.376 -4.075
69 HD3 ARG 10 HD1 ARG 10 15.643 0.034 -5.671
70 HE ARG 10 HE ARG 10 18.101 -0.948 -5.962
71 HH11 ARG 10 HH11 ARG 10 15.895 -1.124 -3.303
72 HH12 ARG 10 HH12 ARG 10 16.461 -2.668 -2.757
73 HH21 ARG 10 HH21 ARG 10 18.840 -2.977 -5.260
74 HH22 ARG 10 HH22 ARG 10 18.128 -3.717 -3.866
75 H PHE 11 HN PHE 11 15.266 4.389 -2.119
76 HA PHE 11 HA PHE 11 15.403 7.055 -2.935
77 HB2 PHE 11 HB2 PHE 11 13.076 7.526 -3.581
78 HB3 PHE 11 HB1 PHE 11 13.794 6.367 -4.704
79 HD1 PHE 11 HD1 PHE 11 12.018 6.354 -1.400
80 HD2 PHE 11 HD2 PHE 11 12.527 4.480 -5.226
81 HE1 PHE 11 HE1 PHE 11 10.292 4.693 -0.799
82 HE2 PHE 11 HE2 PHE 11 10.793 2.809 -4.637
83 HZ PHE 11 HZ PHE 11 9.672 2.910 -2.424
84 H DBB 12 HN DBB 12 13.973 4.512 -1.126
85 HA DBB 12 HA DBB 12 12.265 5.519 0.662
86 HB2 DBB 12 HB2 DBB 12 13.975 6.088 2.606
87 HG1 DBB 12 HG1 DBB 12 15.698 5.883 0.426
88 HG2 DBB 12 HG2 DBB 12 16.066 6.656 1.969
89 HG3 DBB 12 HG3 DBB 12 15.467 7.621 0.619
90 H ILE 13 HN ILE 13 15.502 4.056 0.882
91 HA ILE 13 HA ILE 13 14.589 1.440 1.282
92 HB ILE 13 HB ILE 13 17.196 2.450 2.389
93 HG12 ILE 13 HG12 ILE 13 17.623 1.691 -0.271
94 HG13 ILE 13 HG11 ILE 13 16.182 2.708 -0.332
95 HG21 ILE 13 HG21 ILE 13 16.869 0.013 0.699
96 HG22 ILE 13 HG22 ILE 13 16.172 -0.038 2.318
97 HG23 ILE 13 HG23 ILE 13 17.897 0.269 2.110
98 HD11 ILE 13 HD11 ILE 13 17.498 4.521 -0.139
99 HD12 ILE 13 HD12 ILE 13 18.925 3.502 0.057
100 HD13 ILE 13 HD13 ILE 13 17.972 3.964 1.467
101 H ASN 14 HN ASN 14 13.923 0.335 3.016
102 HA ASN 14 HA ASN 14 13.220 -0.120 5.155
103 HB2 ASN 14 HB2 ASN 14 15.694 0.045 5.570
104 HB3 ASN 14 HB1 ASN 14 15.453 1.736 6.005
105 HD21 ASN 14 HD21 ASN 14 16.455 -0.062 7.945
106 HD22 ASN 14 HD22 ASN 14 15.268 -0.313 9.133
107 H VAL 15 HN VAL 15 11.939 1.981 3.745
108 HA VAL 15 HA VAL 15 10.189 3.406 4.283
109 HB VAL 15 HB VAL 15 10.788 2.345 6.766
110 HG11 VAL 15 HG11 VAL 15 10.818 4.288 8.301
111 HG12 VAL 15 HG12 VAL 15 10.969 5.371 6.918
112 HG13 VAL 15 HG13 VAL 15 12.267 4.240 7.297
113 HG21 VAL 15 HG21 VAL 15 8.582 3.060 5.557
114 HG22 VAL 15 HG22 VAL 15 8.789 4.573 6.441
115 HG23 VAL 15 HG23 VAL 15 8.622 3.052 7.320
116 H CYS 16 HN CYS 16 10.327 5.378 3.414
117 HA CYS 16 HA CYS 16 12.790 6.894 3.765
118 HB2 CYS 16 HB2 CYS 16 11.088 6.537 1.615
119 HB3 CYS 16 HB1 CYS 16 10.738 8.178 2.163