Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586919 | 2mxh RC | 25409 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 1.469 -0.419 -2.018
3 HB VAL 1 HB VAL 1 3.229 1.358 -2.444
4 HG11 VAL 1 1HG1 VAL 1 0.381 1.728 -1.823
5 HG12 VAL 1 2HG1 VAL 1 1.335 3.212 -1.879
6 HG13 VAL 1 3HG1 VAL 1 1.290 2.138 -3.277
7 HG21 VAL 1 3HG2 VAL 1 2.347 2.716 0.043
8 HG22 VAL 1 1HG2 VAL 1 3.576 1.459 0.186
9 HG23 VAL 1 2HG2 VAL 1 3.861 2.859 -0.849
10 H ALA 2 H ALA 2 2.313 -2.309 -0.222
11 HA ALA 2 HA ALA 2 5.206 -2.480 -0.769
12 HB1 ALA 2 1HB ALA 2 5.039 -4.148 1.272
13 HB2 ALA 2 2HB ALA 2 5.237 -2.412 1.513
14 HB3 ALA 2 3HB ALA 2 3.642 -3.148 1.669
15 H ARG 3 H ARG 3 4.413 -3.415 -2.836
16 HA ARG 3 HA ARG 3 3.293 -6.096 -2.647
17 HB2 ARG 3 2HB ARG 3 2.407 -4.621 -4.369
18 HB3 ARG 3 3HB ARG 3 4.017 -4.397 -5.040
19 HG2 ARG 3 2HG ARG 3 2.571 -5.979 -6.307
20 HG3 ARG 3 3HG ARG 3 4.110 -6.659 -5.775
21 HD2 ARG 3 2HD ARG 3 3.120 -8.010 -4.194
22 HD3 ARG 3 3HD ARG 3 1.705 -6.971 -4.041
23 HE ARG 3 HE ARG 3 2.023 -9.168 -5.821
24 HH11 ARG 3 1HH1 ARG 3 0.545 -6.032 -5.502
25 HH12 ARG 3 2HH1 ARG 3 -0.736 -6.378 -6.616
26 HH21 ARG 3 1HH2 ARG 3 0.342 -9.635 -7.290
27 HH22 ARG 3 2HH2 ARG 3 -0.851 -8.428 -7.632
28 H GLY 4 H GLY 4 6.332 -4.650 -2.688
29 HA2 GLY 4 2HA GLY 4 7.857 -6.400 -4.256
30 HA3 GLY 4 3HA GLY 4 8.460 -5.485 -2.883
31 H TRP 5 H TRP 5 6.170 -7.037 -1.388
32 HA TRP 5 HA TRP 5 7.903 -8.986 -0.255
33 HB2 TRP 5 2HB TRP 5 6.105 -9.512 1.214
34 HB3 TRP 5 3HB TRP 5 6.018 -7.776 0.930
35 HD1 TRP 5 HD1 TRP 5 4.253 -7.259 -1.367
36 HE1 TRP 5 HE1 TRP 5 1.847 -8.144 -1.592
37 HE3 TRP 5 HE3 TRP 5 4.525 -11.185 1.896
38 HZ2 TRP 5 HZ2 TRP 5 0.272 -10.231 -0.527
39 HZ3 TRP 5 HZ3 TRP 5 2.524 -12.576 2.237
40 HH2 TRP 5 HH2 TRP 5 0.442 -12.107 1.050
41 H LYS 6 H LYS 6 5.265 -9.105 -2.582
42 HA LYS 6 HA LYS 6 5.129 -11.955 -2.686
43 HB2 LYS 6 2HB LYS 6 3.173 -10.805 -3.349
44 HB3 LYS 6 3HB LYS 6 4.064 -9.753 -4.442
45 HG2 LYS 6 2HG LYS 6 4.144 -12.658 -5.002
46 HG3 LYS 6 3HG LYS 6 2.619 -11.816 -5.287
47 HD2 LYS 6 2HD LYS 6 4.665 -10.189 -6.348
48 HD3 LYS 6 3HD LYS 6 4.994 -11.838 -6.884
49 HE2 LYS 6 2HE LYS 6 2.248 -10.649 -7.091
50 HE3 LYS 6 3HE LYS 6 3.465 -10.355 -8.332
51 HZ1 LYS 6 3HZ LYS 6 2.841 -12.270 -9.226
52 HZ2 LYS 6 1HZ LYS 6 1.866 -12.663 -7.900
53 HZ3 LYS 6 2HZ LYS 6 3.508 -13.069 -7.892
54 H ARG 7 H ARG 7 7.222 -9.617 -4.034
55 HA ARG 7 HA ARG 7 7.981 -10.923 -6.416
56 HB2 ARG 7 2HB ARG 7 9.121 -8.783 -4.697
57 HB3 ARG 7 3HB ARG 7 10.219 -9.581 -5.815
58 HG2 ARG 7 2HG ARG 7 7.665 -8.155 -6.526
59 HG3 ARG 7 3HG ARG 7 9.310 -7.588 -6.822
60 HD2 ARG 7 2HD ARG 7 9.383 -10.019 -8.013
61 HD3 ARG 7 3HD ARG 7 7.696 -9.577 -8.271
62 HE ARG 7 HE ARG 7 8.396 -8.070 -9.829
63 HH11 ARG 7 1HH1 ARG 7 11.064 -8.792 -7.712
64 HH12 ARG 7 2HH1 ARG 7 12.206 -7.854 -8.617
65 HH21 ARG 7 1HH2 ARG 7 9.889 -6.831 -11.028
66 HH22 ARG 7 2HH2 ARG 7 11.536 -6.738 -10.502
67 H LYS 8 H LYS 8 10.297 -10.485 -3.790
68 HA LYS 8 HA LYS 8 11.283 -13.195 -4.277
69 HB2 LYS 8 2HB LYS 8 12.502 -10.913 -2.712
70 HB3 LYS 8 3HB LYS 8 13.267 -12.470 -2.997
71 HG2 LYS 8 2HG LYS 8 13.417 -12.049 -5.341
72 HG3 LYS 8 3HG LYS 8 12.437 -10.588 -5.193
73 HD2 LYS 8 2HD LYS 8 14.146 -9.400 -4.151
74 HD3 LYS 8 3HD LYS 8 15.006 -10.866 -3.675
75 HE2 LYS 8 2HE LYS 8 16.280 -9.993 -5.431
76 HE3 LYS 8 3HE LYS 8 15.325 -11.271 -6.180
77 HZ1 LYS 8 3HZ LYS 8 14.936 -9.621 -7.658
78 HZ2 LYS 8 1HZ LYS 8 15.161 -8.380 -6.530
79 HZ3 LYS 8 2HZ LYS 8 13.702 -9.235 -6.567
80 H CYS 9 H CYS 9 11.298 -11.265 -1.299
81 HA CYS 9 HA CYS 9 10.267 -13.620 0.127
82 HB2 CYS 9 2HB CYS 9 12.117 -11.399 0.891
83 HB3 CYS 9 3HB CYS 9 11.166 -12.179 2.148
84 HG CYS 9 HG CYS 9 13.783 -13.365 0.394
85 HA PRO 10 HA PRO 10 6.486 -11.427 0.794
86 HB2 PRO 10 2HB PRO 10 5.463 -13.072 2.696
87 HB3 PRO 10 3HB PRO 10 5.509 -13.498 0.981
88 HG2 PRO 10 2HG PRO 10 7.360 -14.317 3.187
89 HG3 PRO 10 3HG PRO 10 6.676 -15.298 1.878
90 HD2 PRO 10 2HD PRO 10 9.202 -14.326 1.802
91 HD3 PRO 10 3HD PRO 10 8.221 -14.550 0.340
92 H LEU 11 H LEU 11 9.017 -11.757 3.015
93 HA LEU 11 HA LEU 11 7.748 -10.578 5.293
94 HB2 LEU 11 2HB LEU 11 9.810 -10.702 6.342
95 HB3 LEU 11 3HB LEU 11 9.842 -12.059 5.218
96 HG LEU 11 HG LEU 11 11.042 -10.221 3.690
97 HD11 LEU 11 1HD1 LEU 11 12.702 -9.253 5.599
98 HD12 LEU 11 2HD1 LEU 11 11.150 -9.180 6.433
99 HD13 LEU 11 3HD1 LEU 11 11.362 -8.352 4.890
100 HD21 LEU 11 3HD2 LEU 11 12.095 -12.139 5.718
101 HD22 LEU 11 1HD2 LEU 11 13.220 -11.105 4.836
102 HD23 LEU 11 2HD2 LEU 11 12.163 -12.210 3.956
103 H PHE 12 H PHE 12 8.495 -9.319 2.359
104 HA PHE 12 HA PHE 12 9.480 -6.747 3.269
105 HB2 PHE 12 2HB PHE 12 9.546 -8.176 0.832
106 HB3 PHE 12 3HB PHE 12 8.608 -6.717 0.531
107 HD1 PHE 12 HD2 PHE 12 11.591 -7.405 2.661
108 HD2 PHE 12 HD1 PHE 12 9.919 -5.184 -0.562
109 HE1 PHE 12 HE2 PHE 12 13.675 -6.110 2.477
110 HE2 PHE 12 HE1 PHE 12 12.000 -3.885 -0.751
111 HZ PHE 12 HZ PHE 12 13.881 -4.346 0.770
112 H GLY 13 H GLY 13 6.670 -7.993 3.773
113 HA2 GLY 13 2HA GLY 13 4.687 -6.536 2.511
114 HA3 GLY 13 3HA GLY 13 4.580 -7.124 4.164
115 H LYS 14 H LYS 14 7.014 -5.437 4.818
116 HA LYS 14 HA LYS 14 5.518 -3.067 5.536
117 HB2 LYS 14 2HB LYS 14 8.421 -3.686 6.094
118 HB3 LYS 14 3HB LYS 14 7.416 -2.494 6.907
119 HG2 LYS 14 2HG LYS 14 6.164 -4.149 8.014
120 HG3 LYS 14 3HG LYS 14 6.785 -5.428 6.968
121 HD2 LYS 14 2HD LYS 14 9.068 -4.940 7.908
122 HD3 LYS 14 3HD LYS 14 8.278 -3.889 9.086
123 HE2 LYS 14 2HE LYS 14 6.870 -5.868 9.743
124 HE3 LYS 14 3HE LYS 14 7.917 -6.858 8.727
125 HZ1 LYS 14 3HZ LYS 14 9.783 -5.783 10.142
126 HZ2 LYS 14 1HZ LYS 14 8.892 -7.073 10.778
127 HZ3 LYS 14 2HZ LYS 14 8.541 -5.488 11.252
128 H GLY 15 H GLY 15 8.676 -3.619 3.955
129 HA2 GLY 15 2HA GLY 15 8.917 -0.962 3.009
130 HA3 GLY 15 3HA GLY 15 9.840 -2.345 2.439
131 H GLY 16 H GLY 16 9.185 -3.447 0.601
132 HA2 GLY 16 2HA GLY 16 7.085 -3.753 -0.860
133 HA3 GLY 16 3HA GLY 16 7.184 -2.004 -1.006
Start of MODEL 2
1 H1 VAL 1 H VAL 1 3.528 0.423 1.217
2 HA VAL 1 HA VAL 1 1.830 -1.241 0.047
3 HB VAL 1 HB VAL 1 2.737 0.564 -2.197
4 HG11 VAL 1 1HG1 VAL 1 2.435 -1.650 -2.988
5 HG12 VAL 1 2HG1 VAL 1 0.943 -1.850 -2.068
6 HG13 VAL 1 3HG1 VAL 1 0.988 -0.753 -3.449
7 HG21 VAL 1 3HG2 VAL 1 0.014 0.740 -2.145
8 HG22 VAL 1 1HG2 VAL 1 0.410 0.717 -0.427
9 HG23 VAL 1 2HG2 VAL 1 1.119 1.943 -1.478
10 H ALA 2 H ALA 2 3.422 -2.647 0.751
11 HA ALA 2 HA ALA 2 5.966 -2.643 -0.715
12 HB1 ALA 2 1HB ALA 2 6.696 -4.252 1.064
13 HB2 ALA 2 2HB ALA 2 6.300 -2.632 1.641
14 HB3 ALA 2 3HB ALA 2 5.156 -3.955 1.871
15 H ARG 3 H ARG 3 3.767 -3.491 -2.164
16 HA ARG 3 HA ARG 3 3.038 -6.127 -2.136
17 HB2 ARG 3 2HB ARG 3 2.008 -4.727 -3.734
18 HB3 ARG 3 3HB ARG 3 3.550 -4.256 -4.436
19 HG2 ARG 3 2HG ARG 3 3.794 -6.689 -5.136
20 HG3 ARG 3 3HG ARG 3 2.085 -6.856 -4.727
21 HD2 ARG 3 2HD ARG 3 2.314 -4.531 -6.296
22 HD3 ARG 3 3HD ARG 3 3.287 -5.768 -7.090
23 HE ARG 3 HE ARG 3 0.772 -6.826 -6.354
24 HH11 ARG 3 1HH1 ARG 3 2.268 -4.681 -8.652
25 HH12 ARG 3 2HH1 ARG 3 1.074 -4.952 -9.878
26 HH21 ARG 3 1HH2 ARG 3 -0.806 -7.190 -7.960
27 HH22 ARG 3 2HH2 ARG 3 -0.674 -6.379 -9.483
28 H GLY 4 H GLY 4 6.137 -4.795 -2.908
29 HA2 GLY 4 2HA GLY 4 7.292 -6.722 -4.506
30 HA3 GLY 4 3HA GLY 4 8.162 -5.815 -3.278
31 H TRP 5 H TRP 5 6.169 -7.087 -1.291
32 HA TRP 5 HA TRP 5 7.855 -9.041 -0.269
33 HB2 TRP 5 2HB TRP 5 6.039 -9.654 1.205
34 HB3 TRP 5 3HB TRP 5 6.029 -7.906 0.991
35 HD1 TRP 5 HD1 TRP 5 3.843 -6.831 0.100
36 HE1 TRP 5 HE1 TRP 5 1.559 -7.746 -0.656
37 HE3 TRP 5 HE3 TRP 5 4.973 -11.815 -0.042
38 HZ2 TRP 5 HZ2 TRP 5 0.391 -10.250 -1.235
39 HZ3 TRP 5 HZ3 TRP 5 3.216 -13.404 -0.707
40 HH2 TRP 5 HH2 TRP 5 0.973 -12.636 -1.290
41 H LYS 6 H LYS 6 5.237 -9.309 -2.589
42 HA LYS 6 HA LYS 6 5.239 -12.186 -2.591
43 HB2 LYS 6 2HB LYS 6 3.171 -11.164 -3.140
44 HB3 LYS 6 3HB LYS 6 3.923 -10.103 -4.325
45 HG2 LYS 6 2HG LYS 6 4.147 -13.016 -4.795
46 HG3 LYS 6 3HG LYS 6 2.555 -12.281 -5.000
47 HD2 LYS 6 2HD LYS 6 4.519 -10.616 -6.239
48 HD3 LYS 6 3HD LYS 6 4.731 -12.275 -6.805
49 HE2 LYS 6 2HE LYS 6 2.009 -11.030 -6.710
50 HE3 LYS 6 3HE LYS 6 3.096 -10.703 -8.059
51 HZ1 LYS 6 3HZ LYS 6 3.084 -13.460 -7.606
52 HZ2 LYS 6 1HZ LYS 6 2.494 -12.620 -8.951
53 HZ3 LYS 6 2HZ LYS 6 1.472 -12.947 -7.643
54 H ARG 7 H ARG 7 7.176 -9.789 -3.982
55 HA ARG 7 HA ARG 7 7.868 -11.161 -6.398
56 HB2 ARG 7 2HB ARG 7 9.287 -8.928 -4.934
57 HB3 ARG 7 3HB ARG 7 9.677 -9.486 -6.556
58 HG2 ARG 7 2HG ARG 7 7.452 -8.816 -7.319
59 HG3 ARG 7 3HG ARG 7 7.074 -8.243 -5.693
60 HD2 ARG 7 2HD ARG 7 7.777 -6.270 -6.545
61 HD3 ARG 7 3HD ARG 7 9.361 -6.911 -6.112
62 HE ARG 7 HE ARG 7 9.860 -7.109 -8.342
63 HH11 ARG 7 1HH1 ARG 7 6.442 -6.564 -7.963
64 HH12 ARG 7 2HH1 ARG 7 6.160 -6.330 -9.657
65 HH21 ARG 7 1HH2 ARG 7 9.501 -6.803 -10.573
66 HH22 ARG 7 2HH2 ARG 7 7.900 -6.467 -11.140
67 H LYS 8 H LYS 8 10.111 -10.223 -3.810
68 HA LYS 8 HA LYS 8 11.605 -12.687 -4.267
69 HB2 LYS 8 2HB LYS 8 12.256 -10.217 -2.651
70 HB3 LYS 8 3HB LYS 8 13.319 -11.609 -2.806
71 HG2 LYS 8 2HG LYS 8 13.589 -11.231 -5.148
72 HG3 LYS 8 3HG LYS 8 12.351 -9.972 -5.138
73 HD2 LYS 8 2HD LYS 8 14.425 -8.840 -5.154
74 HD3 LYS 8 3HD LYS 8 13.827 -8.726 -3.497
75 HE2 LYS 8 2HE LYS 8 15.335 -10.365 -2.732
76 HE3 LYS 8 3HE LYS 8 15.709 -10.900 -4.370
77 HZ1 LYS 8 3HZ LYS 8 16.300 -8.132 -3.972
78 HZ2 LYS 8 1HZ LYS 8 17.291 -9.371 -4.558
79 HZ3 LYS 8 2HZ LYS 8 17.150 -9.119 -2.892
80 H CYS 9 H CYS 9 11.231 -10.916 -1.228
81 HA CYS 9 HA CYS 9 10.406 -13.442 0.042
82 HB2 CYS 9 2HB CYS 9 11.744 -11.100 1.402
83 HB3 CYS 9 3HB CYS 9 11.480 -12.710 2.060
84 HG CYS 9 HG CYS 9 13.199 -13.820 -0.044
85 HA PRO 10 HA PRO 10 6.546 -11.453 0.895
86 HB2 PRO 10 2HB PRO 10 5.591 -13.304 2.637
87 HB3 PRO 10 3HB PRO 10 5.644 -13.566 0.889
88 HG2 PRO 10 2HG PRO 10 7.534 -14.521 3.006
89 HG3 PRO 10 3HG PRO 10 6.879 -15.399 1.612
90 HD2 PRO 10 2HD PRO 10 9.368 -14.335 1.624
91 HD3 PRO 10 3HD PRO 10 8.389 -14.456 0.148
92 H LEU 11 H LEU 11 9.070 -11.982 3.119
93 HA LEU 11 HA LEU 11 7.804 -11.081 5.497
94 HB2 LEU 11 2HB LEU 11 10.071 -10.830 6.370
95 HB3 LEU 11 3HB LEU 11 9.842 -12.384 5.570
96 HG LEU 11 HG LEU 11 10.888 -10.934 3.540
97 HD11 LEU 11 1HD1 LEU 11 12.720 -9.596 4.374
98 HD12 LEU 11 2HD1 LEU 11 12.240 -9.925 6.038
99 HD13 LEU 11 3HD1 LEU 11 11.191 -8.969 4.992
100 HD21 LEU 11 3HD2 LEU 11 11.679 -13.101 4.141
101 HD22 LEU 11 1HD2 LEU 11 12.300 -12.512 5.683
102 HD23 LEU 11 2HD2 LEU 11 13.061 -12.005 4.175
103 H PHE 12 H PHE 12 8.615 -9.474 2.681
104 HA PHE 12 HA PHE 12 9.353 -6.948 3.846
105 HB2 PHE 12 2HB PHE 12 8.719 -7.869 1.053
106 HB3 PHE 12 3HB PHE 12 8.916 -6.159 1.422
107 HD1 PHE 12 HD1 PHE 12 10.668 -9.410 1.939
108 HD2 PHE 12 HD2 PHE 12 11.005 -5.231 1.201
109 HE1 PHE 12 HE1 PHE 12 13.107 -9.649 1.714
110 HE2 PHE 12 HE2 PHE 12 13.443 -5.464 0.975
111 HZ PHE 12 HZ PHE 12 14.498 -7.675 1.231
112 H GLY 13 H GLY 13 7.204 -7.433 5.211
113 HA2 GLY 13 2HA GLY 13 4.711 -6.785 4.061
114 HA3 GLY 13 3HA GLY 13 5.102 -6.701 5.772
115 H LYS 14 H LYS 14 7.358 -4.801 5.053
116 HA LYS 14 HA LYS 14 5.687 -2.407 4.644
117 HB2 LYS 14 2HB LYS 14 7.496 -1.262 6.069
118 HB3 LYS 14 3HB LYS 14 6.323 -2.280 6.893
119 HG2 LYS 14 2HG LYS 14 8.747 -3.678 6.027
120 HG3 LYS 14 3HG LYS 14 9.010 -2.416 7.233
121 HD2 LYS 14 2HD LYS 14 6.698 -4.055 7.855
122 HD3 LYS 14 3HD LYS 14 8.173 -5.015 7.714
123 HE2 LYS 14 2HE LYS 14 8.183 -2.481 9.299
124 HE3 LYS 14 3HE LYS 14 7.520 -3.955 10.004
125 HZ1 LYS 14 3HZ LYS 14 10.257 -3.228 9.521
126 HZ2 LYS 14 1HZ LYS 14 9.877 -4.778 8.959
127 HZ3 LYS 14 2HZ LYS 14 9.616 -4.379 10.582
128 H GLY 15 H GLY 15 8.614 -4.105 3.864
129 HA2 GLY 15 2HA GLY 15 10.061 -2.027 2.642
130 HA3 GLY 15 3HA GLY 15 10.232 -3.738 2.279
131 H GLY 16 H GLY 16 9.355 -4.558 0.434
132 HA2 GLY 16 2HA GLY 16 7.526 -4.351 -1.239
133 HA3 GLY 16 3HA GLY 16 7.889 -2.632 -1.264
Start of MODEL 3
1 H1 VAL 1 H VAL 1 -0.006 -1.067 -0.296
2 HA VAL 1 HA VAL 1 1.324 -1.141 -2.257
3 HB VAL 1 HB VAL 1 2.776 0.886 -2.170
4 HG11 VAL 1 1HG1 VAL 1 -0.072 0.725 -1.646
5 HG12 VAL 1 2HG1 VAL 1 0.627 2.242 -1.075
6 HG13 VAL 1 3HG1 VAL 1 0.815 1.763 -2.762
7 HG21 VAL 1 3HG2 VAL 1 3.495 0.609 0.183
8 HG22 VAL 1 1HG2 VAL 1 2.870 2.222 -0.161
9 HG23 VAL 1 2HG2 VAL 1 1.870 1.054 0.703
10 H ALA 2 H ALA 2 2.312 -3.141 -0.404
11 HA ALA 2 HA ALA 2 5.197 -2.967 -0.991
12 HB1 ALA 2 1HB ALA 2 3.754 -3.986 1.416
13 HB2 ALA 2 2HB ALA 2 5.320 -4.670 0.979
14 HB3 ALA 2 3HB ALA 2 5.174 -2.945 1.313
15 H ARG 3 H ARG 3 3.849 -3.886 -3.034
16 HA ARG 3 HA ARG 3 3.060 -6.566 -3.068
17 HB2 ARG 3 2HB ARG 3 2.833 -6.305 -5.321
18 HB3 ARG 3 3HB ARG 3 2.976 -4.608 -4.882
19 HG2 ARG 3 2HG ARG 3 5.398 -4.730 -5.381
20 HG3 ARG 3 3HG ARG 3 5.162 -6.389 -5.935
21 HD2 ARG 3 2HD ARG 3 3.220 -4.810 -7.231
22 HD3 ARG 3 3HD ARG 3 4.745 -3.933 -7.345
23 HE ARG 3 HE ARG 3 5.544 -5.560 -8.753
24 HH11 ARG 3 1HH1 ARG 3 2.621 -6.676 -7.226
25 HH12 ARG 3 2HH1 ARG 3 2.479 -8.081 -8.229
26 HH21 ARG 3 1HH2 ARG 3 5.368 -7.407 -10.080
27 HH22 ARG 3 2HH2 ARG 3 4.043 -8.497 -9.851
28 H GLY 4 H GLY 4 6.193 -5.161 -2.896
29 HA2 GLY 4 2HA GLY 4 7.799 -7.084 -4.099
30 HA3 GLY 4 3HA GLY 4 8.281 -6.098 -2.727
31 H TRP 5 H TRP 5 5.921 -7.329 -1.224
32 HA TRP 5 HA TRP 5 7.386 -9.298 0.149
33 HB2 TRP 5 2HB TRP 5 5.476 -9.589 1.498
34 HB3 TRP 5 3HB TRP 5 5.401 -7.906 0.984
35 HD1 TRP 5 HD1 TRP 5 3.957 -7.952 -1.689
36 HE1 TRP 5 HE1 TRP 5 1.547 -8.820 -1.942
37 HE3 TRP 5 HE3 TRP 5 3.705 -10.877 2.497
38 HZ2 TRP 5 HZ2 TRP 5 -0.226 -10.520 -0.551
39 HZ3 TRP 5 HZ3 TRP 5 1.616 -12.091 2.963
40 HH2 TRP 5 HH2 TRP 5 -0.308 -11.914 1.470
41 H LYS 6 H LYS 6 5.338 -9.454 -2.634
42 HA LYS 6 HA LYS 6 5.129 -12.363 -2.485
43 HB2 LYS 6 2HB LYS 6 3.387 -12.218 -3.949
44 HB3 LYS 6 3HB LYS 6 3.309 -10.588 -3.294
45 HG2 LYS 6 2HG LYS 6 4.889 -9.990 -5.258
46 HG3 LYS 6 3HG LYS 6 4.320 -11.512 -5.948
47 HD2 LYS 6 2HD LYS 6 2.452 -9.367 -4.964
48 HD3 LYS 6 3HD LYS 6 3.047 -9.429 -6.624
49 HE2 LYS 6 2HE LYS 6 2.105 -12.016 -5.912
50 HE3 LYS 6 3HE LYS 6 0.872 -10.837 -5.465
51 HZ1 LYS 6 3HZ LYS 6 1.491 -11.815 -8.013
52 HZ2 LYS 6 1HZ LYS 6 1.852 -10.162 -7.996
53 HZ3 LYS 6 2HZ LYS 6 0.300 -10.693 -7.583
54 H ARG 7 H ARG 7 7.206 -10.034 -3.730
55 HA ARG 7 HA ARG 7 8.018 -11.497 -6.084
56 HB2 ARG 7 2HB ARG 7 9.295 -9.122 -4.714
57 HB3 ARG 7 3HB ARG 7 9.752 -9.761 -6.287
58 HG2 ARG 7 2HG ARG 7 7.558 -9.197 -7.173
59 HG3 ARG 7 3HG ARG 7 7.065 -8.594 -5.589
60 HD2 ARG 7 2HD ARG 7 7.671 -6.687 -6.829
61 HD3 ARG 7 3HD ARG 7 9.028 -6.997 -5.747
62 HE ARG 7 HE ARG 7 10.340 -7.309 -7.583
63 HH11 ARG 7 1HH1 ARG 7 7.014 -7.754 -8.511
64 HH12 ARG 7 2HH1 ARG 7 7.373 -7.938 -10.196
65 HH21 ARG 7 1HH2 ARG 7 10.825 -7.550 -9.799
66 HH22 ARG 7 2HH2 ARG 7 9.541 -7.823 -10.927
67 H LYS 8 H LYS 8 10.187 -10.250 -3.585
68 HA LYS 8 HA LYS 8 11.643 -12.790 -3.669
69 HB2 LYS 8 2HB LYS 8 12.437 -10.081 -2.586
70 HB3 LYS 8 3HB LYS 8 13.457 -11.513 -2.541
71 HG2 LYS 8 2HG LYS 8 13.633 -11.565 -4.909
72 HG3 LYS 8 3HG LYS 8 12.383 -10.332 -5.089
73 HD2 LYS 8 2HD LYS 8 13.788 -8.636 -4.268
74 HD3 LYS 8 3HD LYS 8 14.937 -9.796 -3.597
75 HE2 LYS 8 2HE LYS 8 16.111 -9.711 -5.478
76 HE3 LYS 8 3HE LYS 8 14.716 -10.310 -6.374
77 HZ1 LYS 8 3HZ LYS 8 15.675 -8.117 -7.119
78 HZ2 LYS 8 1HZ LYS 8 15.048 -7.448 -5.698
79 HZ3 LYS 8 2HZ LYS 8 14.007 -8.137 -6.838
80 H CYS 9 H CYS 9 11.432 -10.436 -1.034
81 HA CYS 9 HA CYS 9 11.354 -12.456 0.953
82 HB2 CYS 9 2HB CYS 9 11.517 -9.571 0.856
83 HB3 CYS 9 3HB CYS 9 10.398 -10.086 2.113
84 HG CYS 9 HG CYS 9 13.453 -9.700 2.545
85 HA PRO 10 HA PRO 10 6.993 -13.323 0.632
86 HB2 PRO 10 2HB PRO 10 6.940 -15.174 2.617
87 HB3 PRO 10 3HB PRO 10 7.559 -15.519 0.998
88 HG2 PRO 10 2HG PRO 10 9.063 -14.852 3.499
89 HG3 PRO 10 3HG PRO 10 9.421 -16.082 2.272
90 HD2 PRO 10 2HD PRO 10 10.694 -13.693 2.354
91 HD3 PRO 10 3HD PRO 10 10.372 -14.552 0.834
92 H LEU 11 H LEU 11 8.709 -11.947 3.242
93 HA LEU 11 HA LEU 11 6.174 -11.251 4.575
94 HB2 LEU 11 2HB LEU 11 7.784 -10.896 6.597
95 HB3 LEU 11 3HB LEU 11 7.180 -12.504 6.202
96 HG LEU 11 HG LEU 11 9.717 -11.890 4.901
97 HD11 LEU 11 1HD1 LEU 11 9.537 -11.838 7.906
98 HD12 LEU 11 2HD1 LEU 11 10.213 -10.604 6.842
99 HD13 LEU 11 3HD1 LEU 11 11.026 -12.160 7.015
100 HD21 LEU 11 3HD2 LEU 11 9.170 -14.091 6.854
101 HD22 LEU 11 1HD2 LEU 11 10.196 -14.097 5.419
102 HD23 LEU 11 2HD2 LEU 11 8.441 -14.114 5.248
103 H PHE 12 H PHE 12 7.736 -9.905 2.411
104 HA PHE 12 HA PHE 12 8.890 -7.562 3.602
105 HB2 PHE 12 2HB PHE 12 9.248 -8.733 1.212
106 HB3 PHE 12 3HB PHE 12 8.055 -7.524 0.752
107 HD1 PHE 12 HD1 PHE 12 8.966 -5.415 2.777
108 HD2 PHE 12 HD2 PHE 12 11.073 -7.842 -0.014
109 HE1 PHE 12 HE1 PHE 12 10.740 -3.715 2.643
110 HE2 PHE 12 HE2 PHE 12 12.850 -6.147 -0.151
111 HZ PHE 12 HZ PHE 12 12.686 -4.081 1.178
112 H GLY 13 H GLY 13 6.564 -7.604 4.798
113 HA2 GLY 13 2HA GLY 13 4.630 -6.017 3.286
114 HA3 GLY 13 3HA GLY 13 4.372 -6.738 4.868
115 H LYS 14 H LYS 14 7.263 -4.927 4.231
116 HA LYS 14 HA LYS 14 6.193 -2.712 5.855
117 HB2 LYS 14 2HB LYS 14 8.603 -2.408 6.601
118 HB3 LYS 14 3HB LYS 14 7.767 -3.822 7.227
119 HG2 LYS 14 2HG LYS 14 9.139 -5.257 6.183
120 HG3 LYS 14 3HG LYS 14 9.241 -4.263 4.727
121 HD2 LYS 14 2HD LYS 14 11.400 -4.155 5.571
122 HD3 LYS 14 3HD LYS 14 10.665 -2.680 6.204
123 HE2 LYS 14 2HE LYS 14 10.269 -3.763 8.338
124 HE3 LYS 14 3HE LYS 14 10.905 -5.283 7.711
125 HZ1 LYS 14 3HZ LYS 14 13.041 -4.079 7.336
126 HZ2 LYS 14 1HZ LYS 14 12.613 -4.257 8.963
127 HZ3 LYS 14 2HZ LYS 14 12.400 -2.768 8.191
128 H GLY 15 H GLY 15 8.165 -3.673 3.127
129 HA2 GLY 15 2HA GLY 15 8.348 -0.829 2.341
130 HA3 GLY 15 3HA GLY 15 9.586 -2.016 1.959
131 H GLY 16 H GLY 16 9.190 -3.569 0.335
132 HA2 GLY 16 2HA GLY 16 7.239 -4.416 -1.121
133 HA3 GLY 16 3HA GLY 16 7.097 -2.718 -1.552
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.573 -1.431 1.465
2 HA VAL 1 HA VAL 1 0.879 -1.203 -1.201
3 HB VAL 1 HB VAL 1 2.128 0.850 -1.877
4 HG11 VAL 1 1HG1 VAL 1 0.301 2.291 -1.595
5 HG12 VAL 1 2HG1 VAL 1 -0.398 0.672 -1.534
6 HG13 VAL 1 3HG1 VAL 1 -0.135 1.577 -0.043
7 HG21 VAL 1 3HG2 VAL 1 3.483 1.141 0.121
8 HG22 VAL 1 1HG2 VAL 1 2.518 2.586 -0.183
9 HG23 VAL 1 2HG2 VAL 1 2.035 1.452 1.079
10 H ALA 2 H ALA 2 2.404 -2.890 0.460
11 HA ALA 2 HA ALA 2 5.106 -2.586 -0.677
12 HB1 ALA 2 1HB ALA 2 4.591 -4.366 1.656
13 HB2 ALA 2 2HB ALA 2 6.048 -3.472 1.217
14 HB3 ALA 2 3HB ALA 2 4.666 -2.621 1.908
15 H ARG 3 H ARG 3 3.791 -3.585 -2.561
16 HA ARG 3 HA ARG 3 3.059 -6.316 -2.443
17 HB2 ARG 3 2HB ARG 3 2.199 -4.820 -4.173
18 HB3 ARG 3 3HB ARG 3 3.821 -4.607 -4.818
19 HG2 ARG 3 2HG ARG 3 3.118 -7.401 -4.674
20 HG3 ARG 3 3HG ARG 3 1.935 -6.483 -5.608
21 HD2 ARG 3 2HD ARG 3 4.214 -5.447 -6.591
22 HD3 ARG 3 3HD ARG 3 4.772 -7.067 -6.177
23 HE ARG 3 HE ARG 3 2.416 -7.421 -7.552
24 HH11 ARG 3 1HH1 ARG 3 5.511 -5.955 -8.182
25 HH12 ARG 3 2HH1 ARG 3 5.461 -6.273 -9.884
26 HH21 ARG 3 1HH2 ARG 3 2.339 -7.845 -9.792
27 HH22 ARG 3 2HH2 ARG 3 3.656 -7.348 -10.799
28 H GLY 4 H GLY 4 6.080 -4.820 -2.431
29 HA2 GLY 4 2HA GLY 4 7.661 -6.537 -3.971
30 HA3 GLY 4 3HA GLY 4 8.222 -5.628 -2.576
31 H TRP 5 H TRP 5 5.925 -7.222 -1.141
32 HA TRP 5 HA TRP 5 7.659 -9.161 0.007
33 HB2 TRP 5 2HB TRP 5 5.847 -9.715 1.440
34 HB3 TRP 5 3HB TRP 5 5.722 -7.982 1.153
35 HD1 TRP 5 HD1 TRP 5 4.001 -7.529 -1.202
36 HE1 TRP 5 HE1 TRP 5 1.619 -8.468 -1.466
37 HE3 TRP 5 HE3 TRP 5 4.282 -11.401 2.124
38 HZ2 TRP 5 HZ2 TRP 5 0.065 -10.572 -0.405
39 HZ3 TRP 5 HZ3 TRP 5 2.304 -12.829 2.441
40 HH2 TRP 5 HH2 TRP 5 0.240 -12.421 1.202
41 H LYS 6 H LYS 6 5.071 -9.292 -2.375
42 HA LYS 6 HA LYS 6 4.995 -12.148 -2.512
43 HB2 LYS 6 2HB LYS 6 3.017 -11.033 -3.173
44 HB3 LYS 6 3HB LYS 6 3.892 -9.948 -4.247
45 HG2 LYS 6 2HG LYS 6 4.042 -12.844 -4.841
46 HG3 LYS 6 3HG LYS 6 2.500 -12.033 -5.128
47 HD2 LYS 6 2HD LYS 6 4.610 -10.395 -6.136
48 HD3 LYS 6 3HD LYS 6 4.813 -12.034 -6.759
49 HE2 LYS 6 2HE LYS 6 2.719 -12.024 -7.793
50 HE3 LYS 6 3HE LYS 6 2.143 -10.670 -6.822
51 HZ1 LYS 6 3HZ LYS 6 4.162 -9.507 -8.062
52 HZ2 LYS 6 1HZ LYS 6 2.603 -9.560 -8.717
53 HZ3 LYS 6 2HZ LYS 6 3.775 -10.664 -9.234
54 H ARG 7 H ARG 7 7.046 -9.743 -3.804
55 HA ARG 7 HA ARG 7 7.853 -10.998 -6.199
56 HB2 ARG 7 2HB ARG 7 8.922 -8.849 -4.446
57 HB3 ARG 7 3HB ARG 7 10.051 -9.606 -5.562
58 HG2 ARG 7 2HG ARG 7 7.469 -8.236 -6.280
59 HG3 ARG 7 3HG ARG 7 9.102 -7.628 -6.558
60 HD2 ARG 7 2HD ARG 7 9.233 -10.052 -7.769
61 HD3 ARG 7 3HD ARG 7 7.543 -9.629 -8.045
62 HE ARG 7 HE ARG 7 8.905 -7.386 -8.756
63 HH11 ARG 7 1HH1 ARG 7 9.094 -10.740 -9.669
64 HH12 ARG 7 2HH1 ARG 7 9.650 -10.406 -11.276
65 HH21 ARG 7 1HH2 ARG 7 9.636 -6.933 -10.868
66 HH22 ARG 7 2HH2 ARG 7 9.959 -8.240 -11.956
67 H LYS 8 H LYS 8 10.130 -10.535 -3.541
68 HA LYS 8 HA LYS 8 11.199 -13.207 -4.059
69 HB2 LYS 8 2HB LYS 8 12.328 -10.917 -2.438
70 HB3 LYS 8 3HB LYS 8 13.142 -12.448 -2.735
71 HG2 LYS 8 2HG LYS 8 13.316 -11.984 -5.070
72 HG3 LYS 8 3HG LYS 8 12.291 -10.555 -4.914
73 HD2 LYS 8 2HD LYS 8 13.950 -9.345 -3.796
74 HD3 LYS 8 3HD LYS 8 14.861 -10.800 -3.384
75 HE2 LYS 8 2HE LYS 8 15.904 -9.436 -5.181
76 HE3 LYS 8 3HE LYS 8 15.541 -11.092 -5.664
77 HZ1 LYS 8 3HZ LYS 8 14.216 -10.364 -7.269
78 HZ2 LYS 8 1HZ LYS 8 14.775 -8.797 -6.962
79 HZ3 LYS 8 2HZ LYS 8 13.361 -9.351 -6.218
80 H CYS 9 H CYS 9 11.120 -11.333 -1.046
81 HA CYS 9 HA CYS 9 10.120 -13.738 0.318
82 HB2 CYS 9 2HB CYS 9 11.807 -11.428 1.265
83 HB3 CYS 9 3HB CYS 9 11.010 -12.518 2.393
84 HG CYS 9 HG CYS 9 12.978 -13.879 -0.006
85 HA PRO 10 HA PRO 10 6.303 -11.606 0.992
86 HB2 PRO 10 2HB PRO 10 5.275 -13.318 2.832
87 HB3 PRO 10 3HB PRO 10 5.348 -13.693 1.106
88 HG2 PRO 10 2HG PRO 10 7.180 -14.555 3.310
89 HG3 PRO 10 3HG PRO 10 6.524 -15.506 1.965
90 HD2 PRO 10 2HD PRO 10 9.039 -14.503 1.950
91 HD3 PRO 10 3HD PRO 10 8.080 -14.695 0.469
92 H LEU 11 H LEU 11 8.802 -11.997 3.250
93 HA LEU 11 HA LEU 11 7.517 -10.933 5.558
94 HB2 LEU 11 2HB LEU 11 9.678 -10.831 6.531
95 HB3 LEU 11 3HB LEU 11 9.602 -12.303 5.564
96 HG LEU 11 HG LEU 11 10.733 -10.716 3.757
97 HD11 LEU 11 1HD1 LEU 11 10.898 -9.223 6.237
98 HD12 LEU 11 2HD1 LEU 11 11.257 -8.719 4.586
99 HD13 LEU 11 3HD1 LEU 11 12.486 -9.546 5.542
100 HD21 LEU 11 3HD2 LEU 11 11.858 -12.662 4.248
101 HD22 LEU 11 1HD2 LEU 11 11.905 -12.326 5.979
102 HD23 LEU 11 2HD2 LEU 11 12.973 -11.450 4.882
103 H PHE 12 H PHE 12 8.284 -9.530 2.658
104 HA PHE 12 HA PHE 12 9.071 -6.940 3.687
105 HB2 PHE 12 2HB PHE 12 9.502 -8.218 1.300
106 HB3 PHE 12 3HB PHE 12 8.216 -7.091 0.881
107 HD1 PHE 12 HD1 PHE 12 11.260 -6.928 3.039
108 HD2 PHE 12 HD2 PHE 12 9.011 -5.205 -0.138
109 HE1 PHE 12 HE1 PHE 12 12.915 -5.116 2.854
110 HE2 PHE 12 HE2 PHE 12 10.663 -3.392 -0.328
111 HZ PHE 12 HZ PHE 12 12.618 -3.346 1.168
112 H GLY 13 H GLY 13 6.693 -7.638 4.822
113 HA2 GLY 13 2HA GLY 13 4.480 -6.547 3.324
114 HA3 GLY 13 3HA GLY 13 4.442 -7.104 4.991
115 H LYS 14 H LYS 14 6.981 -5.179 5.093
116 HA LYS 14 HA LYS 14 5.378 -2.763 5.624
117 HB2 LYS 14 2HB LYS 14 7.482 -2.332 7.201
118 HB3 LYS 14 3HB LYS 14 6.075 -3.237 7.744
119 HG2 LYS 14 2HG LYS 14 8.100 -4.377 8.390
120 HG3 LYS 14 3HG LYS 14 7.226 -5.333 7.192
121 HD2 LYS 14 2HD LYS 14 8.860 -5.129 5.653
122 HD3 LYS 14 3HD LYS 14 9.197 -3.451 6.087
123 HE2 LYS 14 2HE LYS 14 9.965 -5.125 8.259
124 HE3 LYS 14 3HE LYS 14 10.656 -5.782 6.776
125 HZ1 LYS 14 3HZ LYS 14 11.849 -3.898 8.158
126 HZ2 LYS 14 1HZ LYS 14 10.876 -2.901 7.197
127 HZ3 LYS 14 2HZ LYS 14 11.964 -3.974 6.472
128 H GLY 15 H GLY 15 8.052 -4.119 3.964
129 HA2 GLY 15 2HA GLY 15 9.668 -1.852 3.589
130 HA3 GLY 15 3HA GLY 15 9.587 -3.233 2.506
131 H GLY 16 H GLY 16 8.404 -3.106 0.635
132 HA2 GLY 16 2HA GLY 16 7.047 -2.168 -0.993
133 HA3 GLY 16 3HA GLY 16 6.583 -0.923 0.158
Start of MODEL 5
1 H1 VAL 1 H VAL 1 -0.273 -0.434 -0.162
2 HA VAL 1 HA VAL 1 0.817 -1.135 -2.171
3 HB VAL 1 HB VAL 1 2.317 0.724 -2.750
4 HG11 VAL 1 1HG1 VAL 1 -0.147 1.531 -1.211
5 HG12 VAL 1 2HG1 VAL 1 0.715 2.561 -2.355
6 HG13 VAL 1 3HG1 VAL 1 -0.068 1.082 -2.914
7 HG21 VAL 1 3HG2 VAL 1 2.566 0.885 0.141
8 HG22 VAL 1 1HG2 VAL 1 3.616 1.527 -1.122
9 HG23 VAL 1 2HG2 VAL 1 2.206 2.447 -0.595
10 H ALA 2 H ALA 2 1.795 -2.891 -0.225
11 HA ALA 2 HA ALA 2 4.664 -2.984 -0.901
12 HB1 ALA 2 1HB ALA 2 4.639 -4.515 1.265
13 HB2 ALA 2 2HB ALA 2 4.821 -2.763 1.358
14 HB3 ALA 2 3HB ALA 2 3.248 -3.502 1.653
15 H ARG 3 H ARG 3 3.799 -4.098 -2.855
16 HA ARG 3 HA ARG 3 2.857 -6.820 -2.398
17 HB2 ARG 3 2HB ARG 3 1.853 -6.623 -4.387
18 HB3 ARG 3 3HB ARG 3 2.334 -4.932 -4.367
19 HG2 ARG 3 2HG ARG 3 4.503 -5.691 -5.446
20 HG3 ARG 3 3HG ARG 3 3.698 -7.238 -5.715
21 HD2 ARG 3 2HD ARG 3 2.020 -5.037 -6.531
22 HD3 ARG 3 3HD ARG 3 3.588 -4.967 -7.334
23 HE ARG 3 HE ARG 3 2.659 -7.591 -7.501
24 HH11 ARG 3 1HH1 ARG 3 1.804 -4.422 -8.663
25 HH12 ARG 3 2HH1 ARG 3 1.058 -5.012 -10.111
26 HH21 ARG 3 1HH2 ARG 3 1.680 -8.379 -9.404
27 HH22 ARG 3 2HH2 ARG 3 0.988 -7.263 -10.531
28 H GLY 4 H GLY 4 5.772 -5.178 -2.843
29 HA2 GLY 4 2HA GLY 4 7.315 -6.827 -4.433
30 HA3 GLY 4 3HA GLY 4 7.931 -5.933 -3.052
31 H TRP 5 H TRP 5 6.057 -7.461 -1.263
32 HA TRP 5 HA TRP 5 7.845 -9.403 -0.367
33 HB2 TRP 5 2HB TRP 5 6.091 -10.140 1.114
34 HB3 TRP 5 3HB TRP 5 6.001 -8.386 0.978
35 HD1 TRP 5 HD1 TRP 5 4.150 -7.669 -1.186
36 HE1 TRP 5 HE1 TRP 5 1.737 -8.537 -1.403
37 HE3 TRP 5 HE3 TRP 5 4.539 -11.879 1.689
38 HZ2 TRP 5 HZ2 TRP 5 0.201 -10.717 -0.478
39 HZ3 TRP 5 HZ3 TRP 5 2.552 -13.301 1.973
40 HH2 TRP 5 HH2 TRP 5 0.428 -12.730 0.911
41 H LYS 6 H LYS 6 5.294 -9.581 -2.739
42 HA LYS 6 HA LYS 6 5.223 -12.445 -2.858
43 HB2 LYS 6 2HB LYS 6 4.242 -10.436 -4.893
44 HB3 LYS 6 3HB LYS 6 3.796 -12.135 -4.805
45 HG2 LYS 6 2HG LYS 6 2.253 -11.770 -3.233
46 HG3 LYS 6 3HG LYS 6 3.288 -10.656 -2.338
47 HD2 LYS 6 2HD LYS 6 1.421 -9.399 -3.099
48 HD3 LYS 6 3HD LYS 6 2.791 -8.941 -4.114
49 HE2 LYS 6 2HE LYS 6 1.150 -11.195 -5.082
50 HE3 LYS 6 3HE LYS 6 0.368 -9.615 -5.079
51 HZ1 LYS 6 3HZ LYS 6 1.392 -9.290 -7.010
52 HZ2 LYS 6 1HZ LYS 6 2.408 -10.629 -6.808
53 HZ3 LYS 6 2HZ LYS 6 2.833 -9.136 -6.137
54 H ARG 7 H ARG 7 7.353 -10.090 -4.012
55 HA ARG 7 HA ARG 7 8.171 -11.347 -6.434
56 HB2 ARG 7 2HB ARG 7 9.648 -9.380 -4.674
57 HB3 ARG 7 3HB ARG 7 10.106 -9.826 -6.312
58 HG2 ARG 7 2HG ARG 7 8.036 -8.876 -7.167
59 HG3 ARG 7 3HG ARG 7 7.542 -8.458 -5.525
60 HD2 ARG 7 2HD ARG 7 8.480 -6.472 -5.995
61 HD3 ARG 7 3HD ARG 7 9.992 -7.306 -5.638
62 HE ARG 7 HE ARG 7 9.006 -6.511 -8.252
63 HH11 ARG 7 1HH1 ARG 7 11.329 -8.336 -6.409
64 HH12 ARG 7 2HH1 ARG 7 12.469 -8.446 -7.710
65 HH21 ARG 7 1HH2 ARG 7 10.498 -6.649 -9.971
66 HH22 ARG 7 2HH2 ARG 7 11.996 -7.485 -9.735
67 H LYS 8 H LYS 8 10.338 -10.778 -3.694
68 HA LYS 8 HA LYS 8 11.503 -13.428 -4.147
69 HB2 LYS 8 2HB LYS 8 12.547 -11.040 -2.616
70 HB3 LYS 8 3HB LYS 8 13.395 -12.572 -2.778
71 HG2 LYS 8 2HG LYS 8 13.676 -12.265 -5.115
72 HG3 LYS 8 3HG LYS 8 12.581 -10.881 -5.127
73 HD2 LYS 8 2HD LYS 8 14.126 -9.510 -4.013
74 HD3 LYS 8 3HD LYS 8 15.098 -10.886 -3.487
75 HE2 LYS 8 2HE LYS 8 15.882 -11.268 -5.712
76 HE3 LYS 8 3HE LYS 8 14.749 -10.089 -6.372
77 HZ1 LYS 8 3HZ LYS 8 16.779 -8.979 -6.284
78 HZ2 LYS 8 1HZ LYS 8 17.178 -9.599 -4.761
79 HZ3 LYS 8 2HZ LYS 8 15.967 -8.427 -4.906
80 H CYS 9 H CYS 9 11.420 -11.500 -1.177
81 HA CYS 9 HA CYS 9 10.481 -13.883 0.254
82 HB2 CYS 9 2HB CYS 9 11.307 -12.731 2.286
83 HB3 CYS 9 3HB CYS 9 12.570 -12.963 1.082
84 HG CYS 9 HG CYS 9 13.302 -10.511 1.018
85 HA PRO 10 HA PRO 10 6.503 -12.008 0.730
86 HB2 PRO 10 2HB PRO 10 5.544 -13.716 2.609
87 HB3 PRO 10 3HB PRO 10 5.695 -14.152 0.903
88 HG2 PRO 10 2HG PRO 10 7.517 -14.794 3.190
89 HG3 PRO 10 3HG PRO 10 6.971 -15.840 1.866
90 HD2 PRO 10 2HD PRO 10 9.408 -14.660 1.880
91 HD3 PRO 10 3HD PRO 10 8.510 -14.978 0.382
92 H LEU 11 H LEU 11 8.959 -12.112 3.058
93 HA LEU 11 HA LEU 11 7.463 -10.952 5.228
94 HB2 LEU 11 2HB LEU 11 9.420 -11.040 6.458
95 HB3 LEU 11 3HB LEU 11 9.578 -12.409 5.359
96 HG LEU 11 HG LEU 11 10.850 -10.453 3.959
97 HD11 LEU 11 1HD1 LEU 11 10.539 -9.319 6.461
98 HD12 LEU 11 2HD1 LEU 11 11.697 -8.830 5.223
99 HD13 LEU 11 3HD1 LEU 11 12.182 -9.961 6.486
100 HD21 LEU 11 3HD2 LEU 11 12.897 -11.561 4.616
101 HD22 LEU 11 1HD2 LEU 11 11.614 -12.754 4.410
102 HD23 LEU 11 2HD2 LEU 11 12.102 -12.255 6.030
103 H PHE 12 H PHE 12 8.367 -9.741 2.344
104 HA PHE 12 HA PHE 12 9.275 -7.141 3.271
105 HB2 PHE 12 2HB PHE 12 9.745 -8.583 0.973
106 HB3 PHE 12 3HB PHE 12 8.575 -7.381 0.437
107 HD1 PHE 12 HD1 PHE 12 11.867 -7.814 2.064
108 HD2 PHE 12 HD2 PHE 12 9.207 -5.150 0.079
109 HE1 PHE 12 HE1 PHE 12 13.667 -6.146 1.898
110 HE2 PHE 12 HE2 PHE 12 11.003 -3.477 -0.091
111 HZ PHE 12 HZ PHE 12 13.237 -3.974 0.819
112 H GLY 13 H GLY 13 6.723 -7.832 4.202
113 HA2 GLY 13 2HA GLY 13 4.717 -6.606 2.537
114 HA3 GLY 13 3HA GLY 13 4.500 -7.180 4.183
115 H LYS 14 H LYS 14 7.053 -5.422 4.691
116 HA LYS 14 HA LYS 14 5.498 -3.018 5.305
117 HB2 LYS 14 2HB LYS 14 7.471 -2.467 6.773
118 HB3 LYS 14 3HB LYS 14 6.584 -3.917 7.226
119 HG2 LYS 14 2HG LYS 14 8.329 -5.269 6.822
120 HG3 LYS 14 3HG LYS 14 8.843 -4.357 5.401
121 HD2 LYS 14 2HD LYS 14 10.323 -3.160 6.579
122 HD3 LYS 14 3HD LYS 14 9.175 -2.874 7.888
123 HE2 LYS 14 2HE LYS 14 11.072 -4.122 8.719
124 HE3 LYS 14 3HE LYS 14 9.632 -5.138 8.748
125 HZ1 LYS 14 3HZ LYS 14 11.265 -5.278 6.344
126 HZ2 LYS 14 1HZ LYS 14 10.455 -6.507 7.177
127 HZ3 LYS 14 2HZ LYS 14 11.944 -5.940 7.744
128 H GLY 15 H GLY 15 8.246 -4.137 3.463
129 HA2 GLY 15 2HA GLY 15 9.418 -1.631 2.898
130 HA3 GLY 15 3HA GLY 15 9.605 -3.090 1.937
131 H GLY 16 H GLY 16 8.354 -3.393 0.113
132 HA2 GLY 16 2HA GLY 16 6.607 -2.883 -1.393
133 HA3 GLY 16 3HA GLY 16 6.323 -1.384 -0.520
Start of MODEL 6
1 H1 VAL 1 H VAL 1 0.799 -1.435 0.489
2 HA VAL 1 HA VAL 1 1.605 -0.917 -1.662
3 HB VAL 1 HB VAL 1 3.412 0.777 -1.941
4 HG11 VAL 1 1HG1 VAL 1 1.312 1.620 -2.431
5 HG12 VAL 1 2HG1 VAL 1 0.755 1.484 -0.762
6 HG13 VAL 1 3HG1 VAL 1 1.897 2.751 -1.212
7 HG21 VAL 1 3HG2 VAL 1 4.423 0.678 0.249
8 HG22 VAL 1 1HG2 VAL 1 3.845 2.317 -0.052
9 HG23 VAL 1 2HG2 VAL 1 2.929 1.239 1.001
10 H ALA 2 H ALA 2 2.278 -3.039 -0.038
11 HA ALA 2 HA ALA 2 5.157 -3.373 -0.584
12 HB1 ALA 2 1HB ALA 2 3.548 -4.019 1.791
13 HB2 ALA 2 2HB ALA 2 4.678 -5.273 1.279
14 HB3 ALA 2 3HB ALA 2 5.267 -3.651 1.646
15 H ARG 3 H ARG 3 4.268 -4.006 -2.748
16 HA ARG 3 HA ARG 3 3.014 -6.637 -2.827
17 HB2 ARG 3 2HB ARG 3 2.053 -5.134 -4.375
18 HB3 ARG 3 3HB ARG 3 3.625 -4.560 -4.916
19 HG2 ARG 3 2HG ARG 3 3.999 -6.934 -5.778
20 HG3 ARG 3 3HG ARG 3 2.263 -7.153 -5.545
21 HD2 ARG 3 2HD ARG 3 2.821 -4.682 -6.924
22 HD3 ARG 3 3HD ARG 3 3.549 -6.051 -7.764
23 HE ARG 3 HE ARG 3 1.446 -6.813 -8.294
24 HH11 ARG 3 1HH1 ARG 3 1.212 -4.285 -5.912
25 HH12 ARG 3 2HH1 ARG 3 -0.509 -4.139 -6.045
26 HH21 ARG 3 1HH2 ARG 3 -0.820 -6.631 -8.479
27 HH22 ARG 3 2HH2 ARG 3 -1.664 -5.475 -7.505
28 H GLY 4 H GLY 4 6.111 -5.157 -3.194
29 HA2 GLY 4 2HA GLY 4 7.412 -6.993 -4.852
30 HA3 GLY 4 3HA GLY 4 8.193 -6.030 -3.606
31 H TRP 5 H TRP 5 6.145 -7.461 -1.730
32 HA TRP 5 HA TRP 5 7.937 -9.292 -0.623
33 HB2 TRP 5 2HB TRP 5 6.190 -9.918 0.857
34 HB3 TRP 5 3HB TRP 5 5.918 -8.218 0.487
35 HD1 TRP 5 HD1 TRP 5 4.087 -7.935 -1.749
36 HE1 TRP 5 HE1 TRP 5 1.813 -9.118 -1.983
37 HE3 TRP 5 HE3 TRP 5 4.859 -11.821 1.481
38 HZ2 TRP 5 HZ2 TRP 5 0.517 -11.396 -0.935
39 HZ3 TRP 5 HZ3 TRP 5 3.051 -13.459 1.809
40 HH2 TRP 5 HH2 TRP 5 0.926 -13.248 0.626
41 H LYS 6 H LYS 6 5.285 -9.767 -2.904
42 HA LYS 6 HA LYS 6 5.528 -12.621 -2.938
43 HB2 LYS 6 2HB LYS 6 3.780 -12.615 -4.468
44 HB3 LYS 6 3HB LYS 6 3.479 -11.146 -3.549
45 HG2 LYS 6 2HG LYS 6 4.868 -10.002 -5.423
46 HG3 LYS 6 3HG LYS 6 4.482 -11.459 -6.342
47 HD2 LYS 6 2HD LYS 6 2.407 -9.757 -4.971
48 HD3 LYS 6 3HD LYS 6 2.889 -9.538 -6.655
49 HE2 LYS 6 2HE LYS 6 1.270 -11.007 -7.127
50 HE3 LYS 6 3HE LYS 6 2.388 -12.229 -6.525
51 HZ1 LYS 6 3HZ LYS 6 -0.091 -11.793 -5.562
52 HZ2 LYS 6 1HZ LYS 6 0.858 -10.926 -4.462
53 HZ3 LYS 6 2HZ LYS 6 1.149 -12.572 -4.716
54 H ARG 7 H ARG 7 7.252 -10.073 -4.368
55 HA ARG 7 HA ARG 7 8.039 -11.355 -6.786
56 HB2 ARG 7 2HB ARG 7 8.459 -8.835 -5.525
57 HB3 ARG 7 3HB ARG 7 10.033 -9.506 -5.931
58 HG2 ARG 7 2HG ARG 7 9.634 -9.443 -8.187
59 HG3 ARG 7 3HG ARG 7 7.883 -9.532 -7.989
60 HD2 ARG 7 2HD ARG 7 7.672 -7.287 -7.619
61 HD3 ARG 7 3HD ARG 7 9.284 -7.141 -6.922
62 HE ARG 7 HE ARG 7 9.362 -7.761 -9.708
63 HH11 ARG 7 1HH1 ARG 7 8.951 -5.177 -7.412
64 HH12 ARG 7 2HH1 ARG 7 9.503 -3.947 -8.500
65 HH21 ARG 7 1HH2 ARG 7 10.091 -6.151 -11.150
66 HH22 ARG 7 2HH2 ARG 7 10.151 -4.502 -10.626
67 H LYS 8 H LYS 8 10.296 -10.383 -4.233
68 HA LYS 8 HA LYS 8 11.831 -12.818 -4.726
69 HB2 LYS 8 2HB LYS 8 13.180 -10.873 -4.777
70 HB3 LYS 8 3HB LYS 8 12.444 -10.228 -3.316
71 HG2 LYS 8 2HG LYS 8 13.623 -12.765 -2.737
72 HG3 LYS 8 3HG LYS 8 14.803 -11.735 -3.551
73 HD2 LYS 8 2HD LYS 8 13.252 -10.343 -1.502
74 HD3 LYS 8 3HD LYS 8 14.213 -11.683 -0.870
75 HE2 LYS 8 2HE LYS 8 15.518 -9.822 -2.780
76 HE3 LYS 8 3HE LYS 8 15.201 -9.231 -1.150
77 HZ1 LYS 8 3HZ LYS 8 17.146 -11.145 -2.058
78 HZ2 LYS 8 1HZ LYS 8 16.273 -11.670 -0.708
79 HZ3 LYS 8 2HZ LYS 8 17.125 -10.210 -0.648
80 H CYS 9 H CYS 9 11.427 -10.997 -1.709
81 HA CYS 9 HA CYS 9 10.785 -13.539 -0.369
82 HB2 CYS 9 2HB CYS 9 12.554 -11.289 0.336
83 HB3 CYS 9 3HB CYS 9 11.557 -11.887 1.657
84 HG CYS 9 HG CYS 9 12.885 -14.452 0.105
85 HA PRO 10 HA PRO 10 6.807 -11.766 0.445
86 HB2 PRO 10 2HB PRO 10 5.946 -13.681 2.165
87 HB3 PRO 10 3HB PRO 10 6.021 -13.924 0.416
88 HG2 PRO 10 2HG PRO 10 7.950 -14.795 2.533
89 HG3 PRO 10 3HG PRO 10 7.350 -15.695 1.128
90 HD2 PRO 10 2HD PRO 10 9.778 -14.497 1.162
91 HD3 PRO 10 3HD PRO 10 8.813 -14.658 -0.320
92 H LEU 11 H LEU 11 9.359 -12.135 2.653
93 HA LEU 11 HA LEU 11 8.091 -11.414 5.070
94 HB2 LEU 11 2HB LEU 11 10.257 -11.071 5.946
95 HB3 LEU 11 3HB LEU 11 10.375 -12.416 4.814
96 HG LEU 11 HG LEU 11 11.103 -10.446 3.172
97 HD11 LEU 11 1HD1 LEU 11 11.157 -8.531 4.373
98 HD12 LEU 11 2HD1 LEU 11 12.759 -9.128 4.805
99 HD13 LEU 11 3HD1 LEU 11 11.403 -9.367 5.907
100 HD21 LEU 11 3HD2 LEU 11 12.404 -12.436 3.606
101 HD22 LEU 11 1HD2 LEU 11 12.877 -11.818 5.189
102 HD23 LEU 11 2HD2 LEU 11 13.440 -11.013 3.724
103 H PHE 12 H PHE 12 8.641 -9.644 2.265
104 HA PHE 12 HA PHE 12 9.032 -7.069 3.474
105 HB2 PHE 12 2HB PHE 12 8.605 -8.089 0.702
106 HB3 PHE 12 3HB PHE 12 8.292 -6.386 1.020
107 HD1 PHE 12 HD1 PHE 12 10.300 -5.444 2.720
108 HD2 PHE 12 HD2 PHE 12 10.630 -8.422 -0.303
109 HE1 PHE 12 HE1 PHE 12 12.704 -4.962 2.512
110 HE2 PHE 12 HE2 PHE 12 13.034 -7.946 -0.515
111 HZ PHE 12 HZ PHE 12 14.075 -6.215 0.894
112 H GLY 13 H GLY 13 7.007 -7.876 4.877
113 HA2 GLY 13 2HA GLY 13 4.417 -7.566 3.813
114 HA3 GLY 13 3HA GLY 13 4.845 -7.439 5.513
115 H LYS 14 H LYS 14 6.780 -5.235 4.801
116 HA LYS 14 HA LYS 14 4.783 -3.098 4.424
117 HB2 LYS 14 2HB LYS 14 6.389 -1.717 5.863
118 HB3 LYS 14 3HB LYS 14 5.419 -2.935 6.681
119 HG2 LYS 14 2HG LYS 14 7.211 -4.104 7.320
120 HG3 LYS 14 3HG LYS 14 8.011 -3.916 5.757
121 HD2 LYS 14 2HD LYS 14 9.221 -2.166 6.465
122 HD3 LYS 14 3HD LYS 14 7.844 -1.435 7.292
123 HE2 LYS 14 2HE LYS 14 8.437 -2.294 9.275
124 HE3 LYS 14 3HE LYS 14 8.830 -3.865 8.578
125 HZ1 LYS 14 3HZ LYS 14 10.599 -1.932 9.465
126 HZ2 LYS 14 1HZ LYS 14 10.739 -1.940 7.779
127 HZ3 LYS 14 2HZ LYS 14 10.973 -3.368 8.653
128 H GLY 15 H GLY 15 7.944 -4.331 3.649
129 HA2 GLY 15 2HA GLY 15 9.051 -2.055 2.426
130 HA3 GLY 15 3HA GLY 15 9.487 -3.719 2.065
131 H GLY 16 H GLY 16 8.738 -4.674 0.225
132 HA2 GLY 16 2HA GLY 16 6.984 -4.802 -1.490
133 HA3 GLY 16 3HA GLY 16 6.925 -3.046 -1.446
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.527 1.007 0.596
2 HA VAL 1 HA VAL 1 1.069 -1.255 -0.966
3 HB VAL 1 HB VAL 1 2.960 1.005 -1.626
4 HG11 VAL 1 1HG1 VAL 1 1.462 -0.962 -3.349
5 HG12 VAL 1 2HG1 VAL 1 2.305 0.461 -3.964
6 HG13 VAL 1 3HG1 VAL 1 3.210 -0.822 -3.161
7 HG21 VAL 1 3HG2 VAL 1 1.172 2.331 -1.518
8 HG22 VAL 1 1HG2 VAL 1 0.541 1.450 -2.910
9 HG23 VAL 1 2HG2 VAL 1 0.085 0.963 -1.278
10 H ALA 2 H ALA 2 2.129 -2.963 0.208
11 HA ALA 2 HA ALA 2 5.026 -3.091 -0.326
12 HB1 ALA 2 1HB ALA 2 3.442 -3.942 2.051
13 HB2 ALA 2 2HB ALA 2 4.905 -4.831 1.627
14 HB3 ALA 2 3HB ALA 2 4.991 -3.103 1.969
15 H ARG 3 H ARG 3 4.211 -3.921 -2.446
16 HA ARG 3 HA ARG 3 3.153 -6.635 -2.377
17 HB2 ARG 3 2HB ARG 3 2.360 -6.232 -4.444
18 HB3 ARG 3 3HB ARG 3 2.720 -4.548 -4.088
19 HG2 ARG 3 2HG ARG 3 5.032 -5.025 -5.069
20 HG3 ARG 3 3HG ARG 3 4.306 -6.498 -5.716
21 HD2 ARG 3 2HD ARG 3 2.734 -4.070 -6.179
22 HD3 ARG 3 3HD ARG 3 4.314 -4.069 -6.960
23 HE ARG 3 HE ARG 3 3.268 -6.505 -7.577
24 HH11 ARG 3 1HH1 ARG 3 2.187 -3.216 -7.944
25 HH12 ARG 3 2HH1 ARG 3 1.266 -3.541 -9.375
26 HH21 ARG 3 1HH2 ARG 3 2.059 -6.945 -9.461
27 HH22 ARG 3 2HH2 ARG 3 1.193 -5.663 -10.236
28 H GLY 4 H GLY 4 6.152 -5.087 -2.454
29 HA2 GLY 4 2HA GLY 4 7.662 -6.755 -4.133
30 HA3 GLY 4 3HA GLY 4 8.296 -5.837 -2.775
31 H TRP 5 H TRP 5 6.119 -7.496 -1.215
32 HA TRP 5 HA TRP 5 7.954 -9.368 -0.140
33 HB2 TRP 5 2HB TRP 5 6.186 -10.042 1.312
34 HB3 TRP 5 3HB TRP 5 6.004 -8.306 1.072
35 HD1 TRP 5 HD1 TRP 5 4.205 -7.813 -1.192
36 HE1 TRP 5 HE1 TRP 5 1.855 -8.831 -1.453
37 HE3 TRP 5 HE3 TRP 5 4.714 -11.838 1.918
38 HZ2 TRP 5 HZ2 TRP 5 0.408 -11.046 -0.469
39 HZ3 TRP 5 HZ3 TRP 5 2.799 -13.358 2.204
40 HH2 TRP 5 HH2 TRP 5 0.692 -12.968 1.034
41 H LYS 6 H LYS 6 5.298 -9.631 -2.442
42 HA LYS 6 HA LYS 6 5.367 -12.479 -2.604
43 HB2 LYS 6 2HB LYS 6 3.755 -12.281 -4.304
44 HB3 LYS 6 3HB LYS 6 3.432 -10.925 -3.231
45 HG2 LYS 6 2HG LYS 6 5.121 -9.751 -4.960
46 HG3 LYS 6 3HG LYS 6 4.381 -10.954 -6.018
47 HD2 LYS 6 2HD LYS 6 2.584 -9.368 -4.264
48 HD3 LYS 6 3HD LYS 6 3.317 -8.546 -5.644
49 HE2 LYS 6 2HE LYS 6 1.847 -9.488 -7.015
50 HE3 LYS 6 3HE LYS 6 2.358 -11.093 -6.494
51 HZ1 LYS 6 3HZ LYS 6 0.071 -9.500 -5.631
52 HZ2 LYS 6 1HZ LYS 6 0.830 -10.450 -4.454
53 HZ3 LYS 6 2HZ LYS 6 0.205 -11.172 -5.849
54 H ARG 7 H ARG 7 7.204 -9.937 -4.017
55 HA ARG 7 HA ARG 7 8.049 -11.152 -6.396
56 HB2 ARG 7 2HB ARG 7 9.029 -8.962 -4.657
57 HB3 ARG 7 3HB ARG 7 10.208 -9.675 -5.749
58 HG2 ARG 7 2HG ARG 7 7.580 -8.424 -6.514
59 HG3 ARG 7 3HG ARG 7 9.190 -7.755 -6.782
60 HD2 ARG 7 2HD ARG 7 9.442 -10.174 -7.968
61 HD3 ARG 7 3HD ARG 7 7.733 -9.846 -8.253
62 HE ARG 7 HE ARG 7 9.008 -7.542 -8.977
63 HH11 ARG 7 1HH1 ARG 7 9.256 -10.892 -9.890
64 HH12 ARG 7 2HH1 ARG 7 9.768 -10.548 -11.509
65 HH21 ARG 7 1HH2 ARG 7 9.683 -7.076 -11.105
66 HH22 ARG 7 2HH2 ARG 7 10.012 -8.377 -12.199
67 H LYS 8 H LYS 8 10.357 -10.624 -3.777
68 HA LYS 8 HA LYS 8 11.533 -13.238 -4.354
69 HB2 LYS 8 2HB LYS 8 12.583 -10.920 -2.721
70 HB3 LYS 8 3HB LYS 8 13.458 -12.412 -3.038
71 HG2 LYS 8 2HG LYS 8 13.586 -11.926 -5.371
72 HG3 LYS 8 3HG LYS 8 12.503 -10.544 -5.194
73 HD2 LYS 8 2HD LYS 8 14.120 -9.273 -4.078
74 HD3 LYS 8 3HD LYS 8 15.102 -10.691 -3.700
75 HE2 LYS 8 2HE LYS 8 16.219 -10.536 -5.625
76 HE3 LYS 8 3HE LYS 8 14.732 -10.358 -6.555
77 HZ1 LYS 8 3HZ LYS 8 16.516 -8.438 -6.378
78 HZ2 LYS 8 1HZ LYS 8 15.617 -8.054 -4.997
79 HZ3 LYS 8 2HZ LYS 8 14.861 -8.111 -6.509
80 H CYS 9 H CYS 9 11.441 -11.425 -1.306
81 HA CYS 9 HA CYS 9 10.559 -13.890 0.031
82 HB2 CYS 9 2HB CYS 9 11.977 -11.483 1.193
83 HB3 CYS 9 3HB CYS 9 11.540 -12.941 2.075
84 HG CYS 9 HG CYS 9 14.360 -12.376 0.851
85 HA PRO 10 HA PRO 10 6.676 -11.918 0.809
86 HB2 PRO 10 2HB PRO 10 5.741 -13.710 2.621
87 HB3 PRO 10 3HB PRO 10 5.799 -14.041 0.886
88 HG2 PRO 10 2HG PRO 10 7.698 -14.888 3.040
89 HG3 PRO 10 3HG PRO 10 7.056 -15.829 1.681
90 HD2 PRO 10 2HD PRO 10 9.532 -14.734 1.653
91 HD3 PRO 10 3HD PRO 10 8.556 -14.925 0.182
92 H LEU 11 H LEU 11 9.225 -12.263 3.014
93 HA LEU 11 HA LEU 11 7.939 -11.306 5.369
94 HB2 LEU 11 2HB LEU 11 10.046 -11.280 6.350
95 HB3 LEU 11 3HB LEU 11 10.139 -12.587 5.171
96 HG LEU 11 HG LEU 11 11.131 -10.598 3.680
97 HD11 LEU 11 1HD1 LEU 11 11.822 -8.810 4.793
98 HD12 LEU 11 2HD1 LEU 11 12.659 -9.807 5.982
99 HD13 LEU 11 3HD1 LEU 11 10.954 -9.413 6.205
100 HD21 LEU 11 3HD2 LEU 11 13.332 -11.456 4.208
101 HD22 LEU 11 1HD2 LEU 11 12.168 -12.781 4.162
102 HD23 LEU 11 2HD2 LEU 11 12.728 -12.153 5.713
103 H PHE 12 H PHE 12 8.575 -9.806 2.494
104 HA PHE 12 HA PHE 12 9.261 -7.207 3.597
105 HB2 PHE 12 2HB PHE 12 9.765 -8.422 1.172
106 HB3 PHE 12 3HB PHE 12 8.478 -7.287 0.778
107 HD1 PHE 12 HD1 PHE 12 11.437 -7.148 3.048
108 HD2 PHE 12 HD2 PHE 12 9.323 -5.401 -0.207
109 HE1 PHE 12 HE1 PHE 12 13.082 -5.319 2.965
110 HE2 PHE 12 HE2 PHE 12 10.965 -3.571 -0.296
111 HZ PHE 12 HZ PHE 12 12.847 -3.528 1.291
112 H GLY 13 H GLY 13 6.811 -8.246 4.525
113 HA2 GLY 13 2HA GLY 13 4.600 -7.208 3.059
114 HA3 GLY 13 3HA GLY 13 4.579 -7.728 4.738
115 H LYS 14 H LYS 14 6.972 -5.684 4.926
116 HA LYS 14 HA LYS 14 5.228 -3.341 5.326
117 HB2 LYS 14 2HB LYS 14 7.009 -2.682 7.046
118 HB3 LYS 14 3HB LYS 14 5.922 -3.998 7.471
119 HG2 LYS 14 2HG LYS 14 7.575 -5.510 7.545
120 HG3 LYS 14 3HG LYS 14 8.398 -4.832 6.138
121 HD2 LYS 14 2HD LYS 14 9.778 -4.587 8.122
122 HD3 LYS 14 3HD LYS 14 9.255 -3.004 7.543
123 HE2 LYS 14 2HE LYS 14 7.488 -2.971 9.233
124 HE3 LYS 14 3HE LYS 14 8.000 -4.558 9.804
125 HZ1 LYS 14 3HZ LYS 14 9.061 -3.160 11.261
126 HZ2 LYS 14 1HZ LYS 14 9.339 -1.959 10.103
127 HZ3 LYS 14 2HZ LYS 14 10.269 -3.371 10.097
128 H GLY 15 H GLY 15 8.213 -4.548 4.006
129 HA2 GLY 15 2HA GLY 15 9.663 -2.234 3.577
130 HA3 GLY 15 3HA GLY 15 9.674 -3.620 2.496
131 H GLY 16 H GLY 16 8.308 -3.637 0.676
132 HA2 GLY 16 2HA GLY 16 7.010 -2.729 -1.003
133 HA3 GLY 16 3HA GLY 16 6.543 -1.452 0.110
Start of MODEL 8
1 H1 VAL 1 H VAL 1 1.969 1.184 -0.152
2 HA VAL 1 HA VAL 1 0.845 -1.533 -0.110
3 HB VAL 1 HB VAL 1 1.562 0.106 -2.542
4 HG11 VAL 1 1HG1 VAL 1 0.006 -2.444 -2.151
5 HG12 VAL 1 2HG1 VAL 1 0.014 -1.519 -3.654
6 HG13 VAL 1 3HG1 VAL 1 1.511 -2.226 -3.044
7 HG21 VAL 1 3HG2 VAL 1 -0.192 1.374 -1.918
8 HG22 VAL 1 1HG2 VAL 1 -1.144 0.023 -2.532
9 HG23 VAL 1 2HG2 VAL 1 -0.811 0.155 -0.805
10 H ALA 2 H ALA 2 2.547 -2.717 0.689
11 HA ALA 2 HA ALA 2 5.152 -2.490 -0.621
12 HB1 ALA 2 1HB ALA 2 4.655 -2.714 1.965
13 HB2 ALA 2 2HB ALA 2 4.673 -4.434 1.575
14 HB3 ALA 2 3HB ALA 2 6.087 -3.437 1.232
15 H ARG 3 H ARG 3 3.614 -3.397 -2.497
16 HA ARG 3 HA ARG 3 2.926 -6.091 -2.594
17 HB2 ARG 3 2HB ARG 3 2.397 -5.689 -4.757
18 HB3 ARG 3 3HB ARG 3 2.681 -4.014 -4.305
19 HG2 ARG 3 2HG ARG 3 5.009 -4.235 -5.112
20 HG3 ARG 3 3HG ARG 3 4.625 -5.869 -5.660
21 HD2 ARG 3 2HD ARG 3 2.833 -3.686 -6.551
22 HD3 ARG 3 3HD ARG 3 4.453 -3.728 -7.247
23 HE ARG 3 HE ARG 3 3.379 -6.298 -7.411
24 HH11 ARG 3 1HH1 ARG 3 2.812 -3.120 -8.714
25 HH12 ARG 3 2HH1 ARG 3 2.137 -3.706 -10.198
26 HH21 ARG 3 1HH2 ARG 3 2.493 -7.082 -9.360
27 HH22 ARG 3 2HH2 ARG 3 1.955 -5.960 -10.564
28 H GLY 4 H GLY 4 6.023 -4.597 -2.684
29 HA2 GLY 4 2HA GLY 4 7.553 -6.398 -4.136
30 HA3 GLY 4 3HA GLY 4 8.140 -5.485 -2.754
31 H TRP 5 H TRP 5 5.980 -6.868 -1.104
32 HA TRP 5 HA TRP 5 7.633 -8.923 -0.077
33 HB2 TRP 5 2HB TRP 5 5.958 -9.271 1.541
34 HB3 TRP 5 3HB TRP 5 5.840 -7.558 1.149
35 HD1 TRP 5 HD1 TRP 5 4.023 -7.537 -1.348
36 HE1 TRP 5 HE1 TRP 5 1.571 -8.309 -1.226
37 HE3 TRP 5 HE3 TRP 5 4.290 -10.428 2.860
38 HZ2 TRP 5 HZ2 TRP 5 -0.038 -9.928 0.434
39 HZ3 TRP 5 HZ3 TRP 5 2.249 -11.553 3.649
40 HH2 TRP 5 HH2 TRP 5 0.131 -11.307 2.460
41 H LYS 6 H LYS 6 5.299 -8.849 -2.589
42 HA LYS 6 HA LYS 6 4.859 -11.727 -2.537
43 HB2 LYS 6 2HB LYS 6 2.920 -10.456 -3.078
44 HB3 LYS 6 3HB LYS 6 3.792 -9.500 -4.269
45 HG2 LYS 6 2HG LYS 6 3.708 -12.412 -4.739
46 HG3 LYS 6 3HG LYS 6 2.181 -11.540 -4.901
47 HD2 LYS 6 2HD LYS 6 2.840 -10.494 -6.783
48 HD3 LYS 6 3HD LYS 6 4.481 -10.240 -6.185
49 HE2 LYS 6 2HE LYS 6 5.237 -11.998 -7.321
50 HE3 LYS 6 3HE LYS 6 3.981 -13.040 -6.655
51 HZ1 LYS 6 3HZ LYS 6 2.479 -12.325 -8.368
52 HZ2 LYS 6 1HZ LYS 6 3.906 -12.876 -9.092
53 HZ3 LYS 6 2HZ LYS 6 3.607 -11.216 -8.968
54 H ARG 7 H ARG 7 7.053 -9.531 -3.871
55 HA ARG 7 HA ARG 7 7.621 -10.987 -6.286
56 HB2 ARG 7 2HB ARG 7 8.807 -8.623 -4.890
57 HB3 ARG 7 3HB ARG 7 9.753 -9.447 -6.123
58 HG2 ARG 7 2HG ARG 7 7.040 -8.193 -6.485
59 HG3 ARG 7 3HG ARG 7 8.579 -7.578 -7.090
60 HD2 ARG 7 2HD ARG 7 8.588 -10.085 -8.116
61 HD3 ARG 7 3HD ARG 7 6.860 -9.732 -8.118
62 HE ARG 7 HE ARG 7 7.992 -7.520 -9.229
63 HH11 ARG 7 1HH1 ARG 7 8.122 -10.933 -9.906
64 HH12 ARG 7 2HH1 ARG 7 8.365 -10.719 -11.608
65 HH21 ARG 7 1HH2 ARG 7 8.311 -7.225 -11.468
66 HH22 ARG 7 2HH2 ARG 7 8.473 -8.609 -12.495
67 H LYS 8 H LYS 8 10.115 -10.063 -3.981
68 HA LYS 8 HA LYS 8 11.203 -12.777 -4.153
69 HB2 LYS 8 2HB LYS 8 12.459 -10.214 -3.152
70 HB3 LYS 8 3HB LYS 8 13.274 -11.770 -3.254
71 HG2 LYS 8 2HG LYS 8 13.158 -11.764 -5.631
72 HG3 LYS 8 3HG LYS 8 12.097 -10.353 -5.632
73 HD2 LYS 8 2HD LYS 8 14.258 -9.558 -6.185
74 HD3 LYS 8 3HD LYS 8 13.978 -9.095 -4.504
75 HE2 LYS 8 2HE LYS 8 15.371 -10.837 -3.702
76 HE3 LYS 8 3HE LYS 8 15.437 -11.608 -5.286
77 HZ1 LYS 8 3HZ LYS 8 17.273 -9.872 -4.280
78 HZ2 LYS 8 1HZ LYS 8 16.373 -8.903 -5.336
79 HZ3 LYS 8 2HZ LYS 8 17.117 -10.312 -5.906
80 H CYS 9 H CYS 9 11.470 -10.376 -1.555
81 HA CYS 9 HA CYS 9 11.414 -12.323 0.487
82 HB2 CYS 9 2HB CYS 9 11.209 -9.330 0.437
83 HB3 CYS 9 3HB CYS 9 10.929 -10.205 1.938
84 HG CYS 9 HG CYS 9 13.765 -9.310 0.588
85 HA PRO 10 HA PRO 10 6.984 -12.958 0.417
86 HB2 PRO 10 2HB PRO 10 6.990 -14.931 2.282
87 HB3 PRO 10 3HB PRO 10 7.445 -15.202 0.596
88 HG2 PRO 10 2HG PRO 10 9.197 -14.785 2.987
89 HG3 PRO 10 3HG PRO 10 9.373 -15.949 1.661
90 HD2 PRO 10 2HD PRO 10 10.790 -13.645 1.774
91 HD3 PRO 10 3HD PRO 10 10.288 -14.382 0.240
92 H LEU 11 H LEU 11 8.994 -11.822 2.920
93 HA LEU 11 HA LEU 11 6.635 -11.117 4.541
94 HB2 LEU 11 2HB LEU 11 8.461 -10.915 6.395
95 HB3 LEU 11 3HB LEU 11 7.761 -12.481 5.989
96 HG LEU 11 HG LEU 11 10.176 -11.858 4.467
97 HD11 LEU 11 1HD1 LEU 11 11.682 -12.304 6.398
98 HD12 LEU 11 2HD1 LEU 11 10.304 -12.055 7.470
99 HD13 LEU 11 3HD1 LEU 11 10.882 -10.733 6.456
100 HD21 LEU 11 3HD2 LEU 11 10.595 -14.110 4.742
101 HD22 LEU 11 1HD2 LEU 11 8.833 -14.061 4.815
102 HD23 LEU 11 2HD2 LEU 11 9.774 -14.182 6.302
103 H PHE 12 H PHE 12 8.007 -9.702 2.294
104 HA PHE 12 HA PHE 12 9.317 -7.441 3.511
105 HB2 PHE 12 2HB PHE 12 9.474 -8.540 1.040
106 HB3 PHE 12 3HB PHE 12 8.353 -7.219 0.723
107 HD1 PHE 12 HD2 PHE 12 11.401 -7.568 2.851
108 HD2 PHE 12 HD1 PHE 12 9.424 -5.458 -0.273
109 HE1 PHE 12 HE2 PHE 12 13.294 -6.002 2.715
110 HE2 PHE 12 HE1 PHE 12 11.314 -3.889 -0.415
111 HZ PHE 12 HZ PHE 12 13.252 -4.159 1.081
112 H GLY 13 H GLY 13 6.898 -7.668 4.710
113 HA2 GLY 13 2HA GLY 13 4.823 -6.176 3.468
114 HA3 GLY 13 3HA GLY 13 4.937 -6.561 5.179
115 H LYS 14 H LYS 14 7.333 -5.300 5.816
116 HA LYS 14 HA LYS 14 6.435 -2.558 5.927
117 HB2 LYS 14 2HB LYS 14 8.146 -2.216 7.536
118 HB3 LYS 14 3HB LYS 14 7.487 -3.815 7.857
119 HG2 LYS 14 2HG LYS 14 9.482 -4.500 6.216
120 HG3 LYS 14 3HG LYS 14 10.163 -3.020 6.896
121 HD2 LYS 14 2HD LYS 14 8.941 -5.024 8.735
122 HD3 LYS 14 3HD LYS 14 10.541 -5.348 8.063
123 HE2 LYS 14 2HE LYS 14 11.451 -3.993 9.567
124 HE3 LYS 14 3HE LYS 14 10.489 -2.651 8.949
125 HZ1 LYS 14 3HZ LYS 14 8.731 -3.204 10.454
126 HZ2 LYS 14 1HZ LYS 14 10.166 -3.078 11.342
127 HZ3 LYS 14 2HZ LYS 14 9.531 -4.601 10.972
128 H GLY 15 H GLY 15 8.901 -4.412 4.273
129 HA2 GLY 15 2HA GLY 15 10.655 -2.445 3.452
130 HA3 GLY 15 3HA GLY 15 10.250 -3.863 2.496
131 H GLY 16 H GLY 16 8.611 -3.719 0.912
132 HA2 GLY 16 2HA GLY 16 8.587 -1.419 -0.622
133 HA3 GLY 16 3HA GLY 16 7.369 -2.682 -0.719
Start of MODEL 9
1 H1 VAL 1 H VAL 1 3.594 2.165 -0.941
2 HA VAL 1 HA VAL 1 1.869 -0.153 -0.389
3 HB VAL 1 HB VAL 1 3.136 0.610 -3.022
4 HG11 VAL 1 1HG1 VAL 1 0.852 -0.949 -3.409
5 HG12 VAL 1 2HG1 VAL 1 2.532 -1.442 -3.628
6 HG13 VAL 1 3HG1 VAL 1 1.724 -1.718 -2.084
7 HG21 VAL 1 3HG2 VAL 1 1.630 2.346 -2.650
8 HG22 VAL 1 1HG2 VAL 1 0.681 1.180 -3.572
9 HG23 VAL 1 2HG2 VAL 1 0.476 1.299 -1.824
10 H ALA 2 H ALA 2 2.729 -2.104 -0.024
11 HA ALA 2 HA ALA 2 5.622 -2.445 -0.484
12 HB1 ALA 2 1HB ALA 2 5.183 -2.285 1.885
13 HB2 ALA 2 2HB ALA 2 3.950 -3.542 1.773
14 HB3 ALA 2 3HB ALA 2 5.643 -3.939 1.480
15 H ARG 3 H ARG 3 4.802 -3.225 -2.621
16 HA ARG 3 HA ARG 3 3.538 -5.849 -2.575
17 HB2 ARG 3 2HB ARG 3 2.750 -4.258 -4.235
18 HB3 ARG 3 3HB ARG 3 4.379 -4.070 -4.869
19 HG2 ARG 3 2HG ARG 3 2.901 -5.517 -6.245
20 HG3 ARG 3 3HG ARG 3 4.389 -6.301 -5.710
21 HD2 ARG 3 2HD ARG 3 3.296 -7.767 -4.377
22 HD3 ARG 3 3HD ARG 3 2.053 -6.599 -3.934
23 HE ARG 3 HE ARG 3 1.755 -7.341 -6.640
24 HH11 ARG 3 1HH1 ARG 3 1.318 -8.580 -3.416
25 HH12 ARG 3 2HH1 ARG 3 0.042 -9.662 -3.865
26 HH21 ARG 3 1HH2 ARG 3 0.076 -8.762 -7.243
27 HH22 ARG 3 2HH2 ARG 3 -0.663 -9.766 -6.042
28 H GLY 4 H GLY 4 6.650 -4.562 -2.518
29 HA2 GLY 4 2HA GLY 4 8.095 -6.330 -4.145
30 HA3 GLY 4 3HA GLY 4 8.736 -5.491 -2.740
31 H TRP 5 H TRP 5 6.353 -6.980 -1.317
32 HA TRP 5 HA TRP 5 7.973 -9.034 -0.216
33 HB2 TRP 5 2HB TRP 5 6.110 -9.548 1.179
34 HB3 TRP 5 3HB TRP 5 6.102 -7.800 0.960
35 HD1 TRP 5 HD1 TRP 5 4.422 -7.112 -1.346
36 HE1 TRP 5 HE1 TRP 5 1.993 -7.895 -1.682
37 HE3 TRP 5 HE3 TRP 5 4.455 -11.198 1.726
38 HZ2 TRP 5 HZ2 TRP 5 0.313 -9.970 -0.765
39 HZ3 TRP 5 HZ3 TRP 5 2.396 -12.528 1.941
40 HH2 TRP 5 HH2 TRP 5 0.369 -11.925 0.721
41 H LYS 6 H LYS 6 5.383 -8.988 -2.603
42 HA LYS 6 HA LYS 6 5.164 -11.827 -2.812
43 HB2 LYS 6 2HB LYS 6 3.261 -10.594 -3.480
44 HB3 LYS 6 3HB LYS 6 4.210 -9.533 -4.512
45 HG2 LYS 6 2HG LYS 6 4.216 -12.416 -5.177
46 HG3 LYS 6 3HG LYS 6 2.725 -11.518 -5.467
47 HD2 LYS 6 2HD LYS 6 4.945 -9.977 -6.399
48 HD3 LYS 6 3HD LYS 6 5.051 -11.607 -7.069
49 HE2 LYS 6 2HE LYS 6 2.856 -11.440 -7.999
50 HE3 LYS 6 3HE LYS 6 2.553 -9.924 -7.152
51 HZ1 LYS 6 3HZ LYS 6 4.818 -9.452 -8.601
52 HZ2 LYS 6 1HZ LYS 6 3.257 -8.935 -8.996
53 HZ3 LYS 6 2HZ LYS 6 3.862 -10.372 -9.650
54 H ARG 7 H ARG 7 7.339 -9.495 -4.061
55 HA ARG 7 HA ARG 7 8.119 -10.748 -6.458
56 HB2 ARG 7 2HB ARG 7 9.258 -8.690 -4.653
57 HB3 ARG 7 3HB ARG 7 10.390 -9.502 -5.726
58 HG2 ARG 7 2HG ARG 7 7.923 -7.977 -6.534
59 HG3 ARG 7 3HG ARG 7 9.601 -7.475 -6.754
60 HD2 ARG 7 2HD ARG 7 9.642 -9.882 -7.978
61 HD3 ARG 7 3HD ARG 7 7.975 -9.397 -8.285
62 HE ARG 7 HE ARG 7 9.702 -7.261 -8.896
63 HH11 ARG 7 1HH1 ARG 7 8.782 -10.408 -10.066
64 HH12 ARG 7 2HH1 ARG 7 9.142 -10.042 -11.721
65 HH21 ARG 7 1HH2 ARG 7 10.180 -6.767 -11.071
66 HH22 ARG 7 2HH2 ARG 7 9.939 -7.971 -12.291
67 H LYS 8 H LYS 8 10.367 -10.486 -3.746
68 HA LYS 8 HA LYS 8 11.281 -13.208 -4.314
69 HB2 LYS 8 2HB LYS 8 13.075 -12.313 -2.525
70 HB3 LYS 8 3HB LYS 8 13.210 -12.012 -4.253
71 HG2 LYS 8 2HG LYS 8 11.712 -10.071 -2.566
72 HG3 LYS 8 3HG LYS 8 13.476 -10.070 -2.522
73 HD2 LYS 8 2HD LYS 8 12.431 -10.204 -5.232
74 HD3 LYS 8 3HD LYS 8 11.880 -8.767 -4.367
75 HE2 LYS 8 2HE LYS 8 13.841 -7.912 -5.074
76 HE3 LYS 8 3HE LYS 8 14.486 -8.773 -3.677
77 HZ1 LYS 8 3HZ LYS 8 14.446 -9.733 -6.486
78 HZ2 LYS 8 1HZ LYS 8 14.943 -10.666 -5.165
79 HZ3 LYS 8 2HZ LYS 8 15.807 -9.276 -5.590
80 H CYS 9 H CYS 9 11.323 -11.382 -1.272
81 HA CYS 9 HA CYS 9 10.188 -13.742 0.060
82 HB2 CYS 9 2HB CYS 9 11.655 -11.432 1.342
83 HB3 CYS 9 3HB CYS 9 11.234 -12.969 2.087
84 HG CYS 9 HG CYS 9 12.939 -14.398 0.237
85 HA PRO 10 HA PRO 10 6.449 -11.460 0.685
86 HB2 PRO 10 2HB PRO 10 5.310 -13.163 2.467
87 HB3 PRO 10 3HB PRO 10 5.403 -13.505 0.736
88 HG2 PRO 10 2HG PRO 10 7.150 -14.491 2.958
89 HG3 PRO 10 3HG PRO 10 6.482 -15.384 1.579
90 HD2 PRO 10 2HD PRO 10 9.038 -14.491 1.637
91 HD3 PRO 10 3HD PRO 10 8.102 -14.612 0.133
92 H LEU 11 H LEU 11 8.883 -11.998 2.980
93 HA LEU 11 HA LEU 11 7.586 -10.910 5.278
94 HB2 LEU 11 2HB LEU 11 9.866 -10.765 6.206
95 HB3 LEU 11 3HB LEU 11 9.475 -12.358 5.563
96 HG LEU 11 HG LEU 11 10.709 -11.363 3.424
97 HD11 LEU 11 1HD1 LEU 11 12.780 -10.174 4.517
98 HD12 LEU 11 2HD1 LEU 11 11.587 -9.684 5.719
99 HD13 LEU 11 3HD1 LEU 11 11.358 -9.253 4.025
100 HD21 LEU 11 3HD2 LEU 11 11.852 -12.658 5.877
101 HD22 LEU 11 1HD2 LEU 11 12.848 -12.327 4.459
102 HD23 LEU 11 2HD2 LEU 11 11.445 -13.388 4.323
103 H PHE 12 H PHE 12 8.506 -9.509 2.428
104 HA PHE 12 HA PHE 12 9.412 -6.986 3.534
105 HB2 PHE 12 2HB PHE 12 9.912 -8.241 1.164
106 HB3 PHE 12 3HB PHE 12 8.675 -7.084 0.683
107 HD1 PHE 12 HD2 PHE 12 11.595 -6.976 3.009
108 HD2 PHE 12 HD1 PHE 12 9.581 -5.236 -0.313
109 HE1 PHE 12 HE2 PHE 12 13.299 -5.204 2.907
110 HE2 PHE 12 HE1 PHE 12 11.283 -3.463 -0.421
111 HZ PHE 12 HZ PHE 12 13.144 -3.444 1.192
112 H GLY 13 H GLY 13 6.930 -7.596 4.527
113 HA2 GLY 13 2HA GLY 13 4.845 -6.384 2.964
114 HA3 GLY 13 3HA GLY 13 4.727 -6.904 4.638
115 H LYS 14 H LYS 14 7.311 -5.161 4.951
116 HA LYS 14 HA LYS 14 5.831 -2.646 5.350
117 HB2 LYS 14 2HB LYS 14 7.628 -2.168 7.068
118 HB3 LYS 14 3HB LYS 14 6.515 -3.470 7.467
119 HG2 LYS 14 2HG LYS 14 8.915 -4.352 6.049
120 HG3 LYS 14 3HG LYS 14 9.230 -3.615 7.622
121 HD2 LYS 14 2HD LYS 14 7.189 -5.789 7.192
122 HD3 LYS 14 3HD LYS 14 8.866 -6.109 7.641
123 HE2 LYS 14 2HE LYS 14 7.711 -4.093 9.347
124 HE3 LYS 14 3HE LYS 14 6.724 -5.553 9.349
125 HZ1 LYS 14 3HZ LYS 14 8.604 -6.846 9.999
126 HZ2 LYS 14 1HZ LYS 14 8.493 -5.531 11.058
127 HZ3 LYS 14 2HZ LYS 14 9.653 -5.530 9.827
128 H GLY 15 H GLY 15 8.693 -4.115 4.001
129 HA2 GLY 15 2HA GLY 15 10.324 -1.929 3.553
130 HA3 GLY 15 3HA GLY 15 10.218 -3.317 2.480
131 H GLY 16 H GLY 16 8.843 -3.233 0.667
132 HA2 GLY 16 2HA GLY 16 7.659 -2.232 -1.037
133 HA3 GLY 16 3HA GLY 16 7.228 -0.953 0.089
Start of MODEL 10
1 H1 VAL 1 H VAL 1 2.017 1.695 0.084
2 HA VAL 1 HA VAL 1 1.136 -1.035 -0.211
3 HB VAL 1 HB VAL 1 2.101 0.844 -2.368
4 HG11 VAL 1 1HG1 VAL 1 2.027 -1.248 -3.344
5 HG12 VAL 1 2HG1 VAL 1 0.669 -1.780 -2.350
6 HG13 VAL 1 3HG1 VAL 1 0.405 -0.637 -3.668
7 HG21 VAL 1 3HG2 VAL 1 -0.585 0.544 -1.063
8 HG22 VAL 1 1HG2 VAL 1 0.338 2.014 -1.375
9 HG23 VAL 1 2HG2 VAL 1 -0.423 1.151 -2.711
10 H ALA 2 H ALA 2 2.642 -2.496 0.410
11 HA ALA 2 HA ALA 2 5.301 -2.312 -0.852
12 HB1 ALA 2 1HB ALA 2 6.187 -3.581 1.023
13 HB2 ALA 2 2HB ALA 2 5.386 -2.114 1.588
14 HB3 ALA 2 3HB ALA 2 4.578 -3.674 1.740
15 H ARG 3 H ARG 3 3.917 -3.342 -2.643
16 HA ARG 3 HA ARG 3 3.090 -6.041 -2.375
17 HB2 ARG 3 2HB ARG 3 2.193 -4.581 -4.119
18 HB3 ARG 3 3HB ARG 3 3.787 -4.456 -4.853
19 HG2 ARG 3 2HG ARG 3 2.976 -7.213 -4.548
20 HG3 ARG 3 3HG ARG 3 1.801 -6.282 -5.480
21 HD2 ARG 3 2HD ARG 3 4.544 -5.687 -6.231
22 HD3 ARG 3 3HD ARG 3 4.146 -7.393 -6.433
23 HE ARG 3 HE ARG 3 2.118 -5.728 -7.522
24 HH11 ARG 3 1HH1 ARG 3 5.316 -6.961 -8.133
25 HH12 ARG 3 2HH1 ARG 3 5.170 -6.854 -9.856
26 HH21 ARG 3 1HH2 ARG 3 1.913 -5.583 -9.789
27 HH22 ARG 3 2HH2 ARG 3 3.234 -6.070 -10.797
28 H GLY 4 H GLY 4 6.148 -4.646 -2.547
29 HA2 GLY 4 2HA GLY 4 7.616 -6.441 -4.103
30 HA3 GLY 4 3HA GLY 4 8.256 -5.531 -2.742
31 H TRP 5 H TRP 5 5.976 -7.018 -1.187
32 HA TRP 5 HA TRP 5 7.692 -9.025 -0.114
33 HB2 TRP 5 2HB TRP 5 5.963 -9.453 1.456
34 HB3 TRP 5 3HB TRP 5 5.910 -7.720 1.144
35 HD1 TRP 5 HD1 TRP 5 4.062 -7.249 -1.132
36 HE1 TRP 5 HE1 TRP 5 1.615 -8.046 -1.189
37 HE3 TRP 5 HE3 TRP 5 4.346 -10.988 2.343
38 HZ2 TRP 5 HZ2 TRP 5 0.017 -10.001 0.073
39 HZ3 TRP 5 HZ3 TRP 5 2.313 -12.273 2.861
40 HH2 TRP 5 HH2 TRP 5 0.194 -11.788 1.749
41 H LYS 6 H LYS 6 4.972 -9.028 -2.338
42 HA LYS 6 HA LYS 6 4.690 -11.874 -2.405
43 HB2 LYS 6 2HB LYS 6 2.761 -10.633 -2.985
44 HB3 LYS 6 3HB LYS 6 3.648 -9.636 -4.130
45 HG2 LYS 6 2HG LYS 6 3.564 -12.546 -4.661
46 HG3 LYS 6 3HG LYS 6 2.069 -11.634 -4.884
47 HD2 LYS 6 2HD LYS 6 2.841 -10.591 -6.720
48 HD3 LYS 6 3HD LYS 6 4.448 -10.359 -6.029
49 HE2 LYS 6 2HE LYS 6 5.260 -12.207 -7.007
50 HE3 LYS 6 3HE LYS 6 3.812 -13.146 -6.647
51 HZ1 LYS 6 3HZ LYS 6 3.634 -13.036 -8.889
52 HZ2 LYS 6 1HZ LYS 6 4.461 -11.565 -9.014
53 HZ3 LYS 6 2HZ LYS 6 2.842 -11.587 -8.523
54 H ARG 7 H ARG 7 6.850 -9.658 -3.829
55 HA ARG 7 HA ARG 7 7.432 -10.995 -6.248
56 HB2 ARG 7 2HB ARG 7 8.758 -8.920 -4.582
57 HB3 ARG 7 3HB ARG 7 9.756 -9.768 -5.756
58 HG2 ARG 7 2HG ARG 7 7.246 -8.208 -6.332
59 HG3 ARG 7 3HG ARG 7 8.901 -7.726 -6.711
60 HD2 ARG 7 2HD ARG 7 8.768 -10.166 -7.901
61 HD3 ARG 7 3HD ARG 7 7.110 -9.599 -8.092
62 HE ARG 7 HE ARG 7 7.851 -8.077 -9.628
63 HH11 ARG 7 1HH1 ARG 7 10.567 -9.240 -7.786
64 HH12 ARG 7 2HH1 ARG 7 11.745 -8.441 -8.773
65 HH21 ARG 7 1HH2 ARG 7 9.393 -7.019 -10.935
66 HH22 ARG 7 2HH2 ARG 7 11.076 -7.177 -10.563
67 H LYS 8 H LYS 8 9.869 -10.677 -3.714
68 HA LYS 8 HA LYS 8 10.678 -13.444 -4.226
69 HB2 LYS 8 2HB LYS 8 12.631 -12.512 -2.631
70 HB3 LYS 8 3HB LYS 8 12.633 -12.301 -4.377
71 HG2 LYS 8 2HG LYS 8 11.320 -10.239 -2.679
72 HG3 LYS 8 3HG LYS 8 13.082 -10.283 -2.777
73 HD2 LYS 8 2HD LYS 8 11.880 -10.535 -5.393
74 HD3 LYS 8 3HD LYS 8 11.326 -9.073 -4.574
75 HE2 LYS 8 2HE LYS 8 14.231 -9.829 -4.721
76 HE3 LYS 8 3HE LYS 8 13.440 -8.892 -5.988
77 HZ1 LYS 8 3HZ LYS 8 14.625 -7.629 -4.140
78 HZ2 LYS 8 1HZ LYS 8 13.316 -8.055 -3.158
79 HZ3 LYS 8 2HZ LYS 8 13.063 -7.123 -4.546
80 H CYS 9 H CYS 9 10.987 -11.468 -1.294
81 HA CYS 9 HA CYS 9 9.926 -13.738 0.243
82 HB2 CYS 9 2HB CYS 9 11.578 -11.398 1.218
83 HB3 CYS 9 3HB CYS 9 11.105 -12.804 2.163
84 HG CYS 9 HG CYS 9 12.549 -14.274 -0.164
85 HA PRO 10 HA PRO 10 6.281 -11.376 1.067
86 HB2 PRO 10 2HB PRO 10 5.310 -12.923 3.075
87 HB3 PRO 10 3HB PRO 10 5.238 -13.400 1.374
88 HG2 PRO 10 2HG PRO 10 7.183 -14.229 3.493
89 HG3 PRO 10 3HG PRO 10 6.386 -15.219 2.257
90 HD2 PRO 10 2HD PRO 10 8.938 -14.352 2.005
91 HD3 PRO 10 3HD PRO 10 7.865 -14.578 0.609
92 H LEU 11 H LEU 11 8.920 -11.756 3.155
93 HA LEU 11 HA LEU 11 7.824 -10.434 5.450
94 HB2 LEU 11 2HB LEU 11 9.918 -10.653 6.415
95 HB3 LEU 11 3HB LEU 11 9.816 -12.047 5.342
96 HG LEU 11 HG LEU 11 11.051 -10.296 3.711
97 HD11 LEU 11 1HD1 LEU 11 11.547 -8.465 4.928
98 HD12 LEU 11 2HD1 LEU 11 12.896 -9.457 5.477
99 HD13 LEU 11 3HD1 LEU 11 11.442 -9.322 6.465
100 HD21 LEU 11 3HD2 LEU 11 12.884 -11.651 3.932
101 HD22 LEU 11 1HD2 LEU 11 11.649 -12.666 4.677
102 HD23 LEU 11 2HD2 LEU 11 12.752 -11.732 5.689
103 H PHE 12 H PHE 12 8.545 -9.332 2.439
104 HA PHE 12 HA PHE 12 9.776 -6.827 3.157
105 HB2 PHE 12 2HB PHE 12 9.647 -8.281 0.834
106 HB3 PHE 12 3HB PHE 12 8.489 -6.992 0.522
107 HD1 PHE 12 HD2 PHE 12 11.804 -7.160 2.233
108 HD2 PHE 12 HD1 PHE 12 9.399 -5.339 -0.770
109 HE1 PHE 12 HE2 PHE 12 13.656 -5.638 1.677
110 HE2 PHE 12 HE1 PHE 12 11.248 -3.815 -1.332
111 HZ PHE 12 HZ PHE 12 13.379 -3.963 -0.106
112 H GLY 13 H GLY 13 6.806 -7.940 3.733
113 HA2 GLY 13 2HA GLY 13 4.942 -6.175 2.742
114 HA3 GLY 13 3HA GLY 13 4.851 -6.894 4.343
115 H LYS 14 H LYS 14 7.371 -5.582 5.176
116 HA LYS 14 HA LYS 14 6.179 -3.063 5.979
117 HB2 LYS 14 2HB LYS 14 8.193 -2.867 7.425
118 HB3 LYS 14 3HB LYS 14 7.281 -4.347 7.695
119 HG2 LYS 14 2HG LYS 14 9.235 -4.883 5.714
120 HG3 LYS 14 3HG LYS 14 10.025 -4.044 7.052
121 HD2 LYS 14 2HD LYS 14 8.232 -6.447 7.378
122 HD3 LYS 14 3HD LYS 14 9.992 -6.530 7.276
123 HE2 LYS 14 2HE LYS 14 9.469 -4.589 9.207
124 HE3 LYS 14 3HE LYS 14 8.302 -5.871 9.525
125 HZ1 LYS 14 3HZ LYS 14 11.250 -6.169 9.348
126 HZ2 LYS 14 1HZ LYS 14 10.167 -7.458 9.518
127 HZ3 LYS 14 2HZ LYS 14 10.303 -6.299 10.743
128 H GLY 15 H GLY 15 8.746 -4.226 3.903
129 HA2 GLY 15 2HA GLY 15 10.002 -1.690 3.516
130 HA3 GLY 15 3HA GLY 15 10.230 -3.125 2.527
131 H GLY 16 H GLY 16 9.100 -3.356 0.632
132 HA2 GLY 16 2HA GLY 16 7.483 -2.834 -0.984
133 HA3 GLY 16 3HA GLY 16 6.983 -1.460 -0.008
Start of MODEL 11
1 H1 VAL 1 H VAL 1 0.938 -4.418 2.416
2 HA VAL 1 HA VAL 1 0.353 -5.403 0.233
3 HB VAL 1 HB VAL 1 0.152 -2.504 -0.597
4 HG11 VAL 1 1HG1 VAL 1 0.117 -5.087 -2.090
5 HG12 VAL 1 2HG1 VAL 1 -0.849 -3.732 -2.678
6 HG13 VAL 1 3HG1 VAL 1 0.898 -3.561 -2.501
7 HG21 VAL 1 3HG2 VAL 1 -2.250 -3.149 -1.052
8 HG22 VAL 1 1HG2 VAL 1 -1.947 -4.600 -0.097
9 HG23 VAL 1 2HG2 VAL 1 -1.798 -3.008 0.647
10 H ALA 2 H ALA 2 2.449 -6.160 0.469
11 HA ALA 2 HA ALA 2 4.628 -4.362 -0.330
12 HB1 ALA 2 1HB ALA 2 5.238 -5.346 1.676
13 HB2 ALA 2 2HB ALA 2 4.535 -6.905 1.243
14 HB3 ALA 2 3HB ALA 2 6.037 -6.374 0.486
15 H ARG 3 H ARG 3 3.629 -4.614 -2.562
16 HA ARG 3 HA ARG 3 3.755 -7.033 -3.977
17 HB2 ARG 3 2HB ARG 3 2.612 -5.627 -5.307
18 HB3 ARG 3 3HB ARG 3 3.374 -4.208 -4.602
19 HG2 ARG 3 2HG ARG 3 5.217 -4.348 -6.076
20 HG3 ARG 3 3HG ARG 3 4.747 -5.961 -6.617
21 HD2 ARG 3 2HD ARG 3 2.937 -5.147 -7.851
22 HD3 ARG 3 3HD ARG 3 2.933 -3.605 -6.996
23 HE ARG 3 HE ARG 3 5.326 -3.580 -8.222
24 HH11 ARG 3 1HH1 ARG 3 2.106 -4.246 -9.367
25 HH12 ARG 3 2HH1 ARG 3 2.415 -3.664 -10.970
26 HH21 ARG 3 1HH2 ARG 3 5.745 -2.811 -10.329
27 HH22 ARG 3 2HH2 ARG 3 4.485 -2.849 -11.516
28 H GLY 4 H GLY 4 6.052 -4.297 -4.008
29 HA2 GLY 4 2HA GLY 4 7.999 -5.365 -5.632
30 HA3 GLY 4 3HA GLY 4 8.332 -4.264 -4.303
31 H TRP 5 H TRP 5 7.203 -6.288 -2.385
32 HA TRP 5 HA TRP 5 9.667 -7.842 -2.127
33 HB2 TRP 5 2HB TRP 5 7.476 -7.679 -0.069
34 HB3 TRP 5 3HB TRP 5 9.181 -8.052 0.170
35 HD1 TRP 5 HD1 TRP 5 7.083 -4.999 -1.018
36 HE1 TRP 5 HE1 TRP 5 8.203 -2.872 -0.097
37 HE3 TRP 5 HE3 TRP 5 11.112 -7.137 1.292
38 HZ2 TRP 5 HZ2 TRP 5 10.492 -2.191 1.408
39 HZ3 TRP 5 HZ3 TRP 5 12.720 -5.678 2.450
40 HH2 TRP 5 HH2 TRP 5 12.415 -3.256 2.505
41 H LYS 6 H LYS 6 6.250 -8.207 -2.666
42 HA LYS 6 HA LYS 6 5.772 -10.822 -1.978
43 HB2 LYS 6 2HB LYS 6 4.092 -9.231 -2.901
44 HB3 LYS 6 3HB LYS 6 4.788 -9.470 -4.498
45 HG2 LYS 6 2HG LYS 6 2.731 -10.786 -4.083
46 HG3 LYS 6 3HG LYS 6 4.132 -11.769 -4.515
47 HD2 LYS 6 2HD LYS 6 4.088 -12.857 -2.563
48 HD3 LYS 6 3HD LYS 6 3.901 -11.361 -1.645
49 HE2 LYS 6 2HE LYS 6 1.650 -12.709 -3.125
50 HE3 LYS 6 3HE LYS 6 2.009 -12.997 -1.423
51 HZ1 LYS 6 3HZ LYS 6 1.883 -10.370 -1.395
52 HZ2 LYS 6 1HZ LYS 6 0.508 -11.337 -1.200
53 HZ3 LYS 6 2HZ LYS 6 0.850 -10.647 -2.706
54 H ARG 7 H ARG 7 7.426 -9.592 -4.838
55 HA ARG 7 HA ARG 7 7.597 -11.959 -6.305
56 HB2 ARG 7 2HB ARG 7 9.724 -9.818 -6.179
57 HB3 ARG 7 3HB ARG 7 9.406 -10.927 -7.506
58 HG2 ARG 7 2HG ARG 7 7.429 -9.820 -8.105
59 HG3 ARG 7 3HG ARG 7 7.357 -8.948 -6.573
60 HD2 ARG 7 2HD ARG 7 9.573 -7.886 -7.290
61 HD3 ARG 7 3HD ARG 7 9.206 -8.511 -8.897
62 HE ARG 7 HE ARG 7 7.964 -6.281 -7.578
63 HH11 ARG 7 1HH1 ARG 7 7.582 -8.744 -10.009
64 HH12 ARG 7 2HH1 ARG 7 6.397 -7.857 -10.908
65 HH21 ARG 7 1HH2 ARG 7 6.404 -5.103 -8.754
66 HH22 ARG 7 2HH2 ARG 7 5.728 -5.785 -10.194
67 H LYS 8 H LYS 8 10.022 -10.567 -4.088
68 HA LYS 8 HA LYS 8 11.576 -12.993 -4.109
69 HB2 LYS 8 2HB LYS 8 11.833 -10.511 -2.401
70 HB3 LYS 8 3HB LYS 8 13.011 -11.814 -2.486
71 HG2 LYS 8 2HG LYS 8 13.422 -11.325 -4.825
72 HG3 LYS 8 3HG LYS 8 12.193 -10.059 -4.792
73 HD2 LYS 8 2HD LYS 8 13.532 -8.601 -3.681
74 HD3 LYS 8 3HD LYS 8 14.335 -9.875 -2.761
75 HE2 LYS 8 2HE LYS 8 16.049 -9.862 -4.174
76 HE3 LYS 8 3HE LYS 8 14.969 -10.168 -5.533
77 HZ1 LYS 8 3HZ LYS 8 15.694 -8.163 -6.192
78 HZ2 LYS 8 1HZ LYS 8 16.157 -7.681 -4.637
79 HZ3 LYS 8 2HZ LYS 8 14.537 -7.572 -5.109
80 H CYS 9 H CYS 9 10.449 -11.174 -1.273
81 HA CYS 9 HA CYS 9 9.580 -13.730 -0.092
82 HB2 CYS 9 2HB CYS 9 11.481 -11.787 0.871
83 HB3 CYS 9 3HB CYS 9 10.140 -11.930 2.001
84 HG CYS 9 HG CYS 9 11.231 -14.904 1.000
85 HA PRO 10 HA PRO 10 5.670 -11.559 -0.063
86 HB2 PRO 10 2HB PRO 10 4.226 -13.660 0.871
87 HB3 PRO 10 3HB PRO 10 4.740 -13.521 -0.815
88 HG2 PRO 10 2HG PRO 10 5.959 -15.106 1.412
89 HG3 PRO 10 3HG PRO 10 5.678 -15.579 -0.273
90 HD2 PRO 10 2HD PRO 10 8.103 -14.784 0.631
91 HD3 PRO 10 3HD PRO 10 7.554 -14.473 -1.028
92 H LEU 11 H LEU 11 7.376 -13.002 2.564
93 HA LEU 11 HA LEU 11 5.499 -12.138 4.588
94 HB2 LEU 11 2HB LEU 11 6.813 -13.255 6.118
95 HB3 LEU 11 3HB LEU 11 7.056 -14.195 4.647
96 HG LEU 11 HG LEU 11 9.124 -12.397 4.545
97 HD11 LEU 11 1HD1 LEU 11 9.788 -11.716 6.555
98 HD12 LEU 11 2HD1 LEU 11 9.567 -13.320 7.253
99 HD13 LEU 11 3HD1 LEU 11 8.202 -12.209 7.149
100 HD21 LEU 11 3HD2 LEU 11 9.534 -14.963 5.991
101 HD22 LEU 11 1HD2 LEU 11 10.445 -14.256 4.656
102 HD23 LEU 11 2HD2 LEU 11 8.884 -15.018 4.351
103 H PHE 12 H PHE 12 7.452 -10.454 2.680
104 HA PHE 12 HA PHE 12 8.554 -8.702 4.748
105 HB2 PHE 12 2HB PHE 12 9.284 -9.381 2.022
106 HB3 PHE 12 3HB PHE 12 9.208 -7.638 2.251
107 HD1 PHE 12 HD1 PHE 12 10.199 -7.120 4.846
108 HD2 PHE 12 HD2 PHE 12 11.450 -10.116 2.093
109 HE1 PHE 12 HE1 PHE 12 12.419 -7.162 5.906
110 HE2 PHE 12 HE2 PHE 12 13.672 -10.164 3.150
111 HZ PHE 12 HZ PHE 12 14.158 -8.687 5.059
112 H GLY 13 H GLY 13 6.165 -8.226 5.203
113 HA2 GLY 13 2HA GLY 13 4.792 -6.524 3.338
114 HA3 GLY 13 3HA GLY 13 4.303 -6.871 4.990
115 H LYS 14 H LYS 14 7.086 -5.263 3.440
116 HA LYS 14 HA LYS 14 6.942 -3.174 5.483
117 HB2 LYS 14 2HB LYS 14 9.123 -4.235 5.061
118 HB3 LYS 14 3HB LYS 14 9.051 -3.714 3.383
119 HG2 LYS 14 2HG LYS 14 10.494 -2.316 4.863
120 HG3 LYS 14 3HG LYS 14 9.239 -1.428 3.996
121 HD2 LYS 14 2HD LYS 14 8.220 -0.805 5.892
122 HD3 LYS 14 3HD LYS 14 8.375 -2.411 6.607
123 HE2 LYS 14 2HE LYS 14 10.810 -0.714 6.353
124 HE3 LYS 14 3HE LYS 14 9.640 -0.329 7.615
125 HZ1 LYS 14 3HZ LYS 14 10.621 -3.089 7.302
126 HZ2 LYS 14 1HZ LYS 14 9.999 -2.326 8.679
127 HZ3 LYS 14 2HZ LYS 14 11.554 -1.948 8.132
128 H GLY 15 H GLY 15 7.894 -2.996 2.060
129 HA2 GLY 15 2HA GLY 15 6.277 -0.548 1.839
130 HA3 GLY 15 3HA GLY 15 7.633 -0.972 0.805
131 H GLY 16 H GLY 16 7.173 -1.752 -1.147
132 HA2 GLY 16 2HA GLY 16 5.603 -3.663 -2.058
133 HA3 GLY 16 3HA GLY 16 4.389 -2.436 -1.729
Start of MODEL 12
1 H1 VAL 1 H VAL 1 0.864 -1.074 0.843
2 HA VAL 1 HA VAL 1 1.543 -1.144 -1.380
3 HB VAL 1 HB VAL 1 2.792 0.887 -1.953
4 HG11 VAL 1 1HG1 VAL 1 1.259 2.517 -0.945
5 HG12 VAL 1 2HG1 VAL 1 0.411 1.066 -1.485
6 HG13 VAL 1 3HG1 VAL 1 0.751 1.304 0.230
7 HG21 VAL 1 3HG2 VAL 1 3.397 2.396 0.038
8 HG22 VAL 1 1HG2 VAL 1 3.360 0.913 0.992
9 HG23 VAL 1 2HG2 VAL 1 4.487 1.067 -0.356
10 H ALA 2 H ALA 2 3.166 -2.908 0.338
11 HA ALA 2 HA ALA 2 5.765 -2.741 -1.031
12 HB1 ALA 2 1HB ALA 2 6.459 -4.419 0.755
13 HB2 ALA 2 2HB ALA 2 6.140 -2.767 1.286
14 HB3 ALA 2 3HB ALA 2 4.936 -4.027 1.553
15 H ARG 3 H ARG 3 4.206 -3.593 -2.841
16 HA ARG 3 HA ARG 3 3.363 -6.278 -2.802
17 HB2 ARG 3 2HB ARG 3 2.502 -5.735 -4.792
18 HB3 ARG 3 3HB ARG 3 3.208 -4.138 -4.582
19 HG2 ARG 3 2HG ARG 3 5.299 -5.050 -5.652
20 HG3 ARG 3 3HG ARG 3 4.357 -6.485 -6.063
21 HD2 ARG 3 2HD ARG 3 3.497 -3.703 -6.816
22 HD3 ARG 3 3HD ARG 3 4.533 -4.690 -7.847
23 HE ARG 3 HE ARG 3 2.352 -6.261 -7.266
24 HH11 ARG 3 1HH1 ARG 3 2.904 -3.170 -8.771
25 HH12 ARG 3 2HH1 ARG 3 1.530 -3.290 -9.821
26 HH21 ARG 3 1HH2 ARG 3 0.541 -6.429 -8.643
27 HH22 ARG 3 2HH2 ARG 3 0.186 -5.143 -9.746
28 H GLY 4 H GLY 4 6.469 -4.922 -2.996
29 HA2 GLY 4 2HA GLY 4 7.828 -6.738 -4.638
30 HA3 GLY 4 3HA GLY 4 8.550 -5.834 -3.316
31 H TRP 5 H TRP 5 6.326 -7.275 -1.642
32 HA TRP 5 HA TRP 5 8.025 -9.227 -0.531
33 HB2 TRP 5 2HB TRP 5 6.228 -9.764 0.925
34 HB3 TRP 5 3HB TRP 5 6.089 -8.038 0.605
35 HD1 TRP 5 HD1 TRP 5 4.321 -7.593 -1.685
36 HE1 TRP 5 HE1 TRP 5 1.955 -8.573 -1.936
37 HE3 TRP 5 HE3 TRP 5 4.717 -11.516 1.569
38 HZ2 TRP 5 HZ2 TRP 5 0.454 -10.724 -0.893
39 HZ3 TRP 5 HZ3 TRP 5 2.770 -12.987 1.885
40 HH2 TRP 5 HH2 TRP 5 0.683 -12.597 0.679
41 H LYS 6 H LYS 6 5.405 -9.424 -2.878
42 HA LYS 6 HA LYS 6 5.387 -12.287 -2.969
43 HB2 LYS 6 2HB LYS 6 3.429 -10.836 -3.554
44 HB3 LYS 6 3HB LYS 6 4.289 -10.344 -5.007
45 HG2 LYS 6 2HG LYS 6 2.584 -12.140 -5.337
46 HG3 LYS 6 3HG LYS 6 4.207 -12.540 -5.903
47 HD2 LYS 6 2HD LYS 6 4.428 -14.220 -4.430
48 HD3 LYS 6 3HD LYS 6 3.703 -13.287 -3.118
49 HE2 LYS 6 2HE LYS 6 2.071 -14.846 -3.359
50 HE3 LYS 6 3HE LYS 6 1.514 -13.702 -4.580
51 HZ1 LYS 6 3HZ LYS 6 3.317 -15.959 -5.229
52 HZ2 LYS 6 1HZ LYS 6 2.410 -15.007 -6.294
53 HZ3 LYS 6 2HZ LYS 6 1.633 -16.106 -5.270
54 H ARG 7 H ARG 7 7.407 -9.897 -4.257
55 HA ARG 7 HA ARG 7 8.148 -11.205 -6.684
56 HB2 ARG 7 2HB ARG 7 9.603 -9.100 -5.072
57 HB3 ARG 7 3HB ARG 7 10.030 -9.604 -6.702
58 HG2 ARG 7 2HG ARG 7 7.824 -8.829 -7.486
59 HG3 ARG 7 3HG ARG 7 7.479 -8.250 -5.854
60 HD2 ARG 7 2HD ARG 7 8.268 -6.325 -6.802
61 HD3 ARG 7 3HD ARG 7 9.772 -6.999 -6.176
62 HE ARG 7 HE ARG 7 10.509 -7.216 -8.324
63 HH11 ARG 7 1HH1 ARG 7 7.042 -6.904 -8.359
64 HH12 ARG 7 2HH1 ARG 7 6.936 -6.824 -10.086
65 HH21 ARG 7 1HH2 ARG 7 10.383 -7.111 -10.599
66 HH22 ARG 7 2HH2 ARG 7 8.837 -6.943 -11.359
67 H LYS 8 H LYS 8 10.364 -10.463 -4.015
68 HA LYS 8 HA LYS 8 11.692 -13.028 -4.482
69 HB2 LYS 8 2HB LYS 8 13.305 -11.815 -2.711
70 HB3 LYS 8 3HB LYS 8 13.410 -11.542 -4.445
71 HG2 LYS 8 2HG LYS 8 11.607 -9.814 -2.825
72 HG3 LYS 8 3HG LYS 8 13.349 -9.538 -2.764
73 HD2 LYS 8 2HD LYS 8 12.366 -9.901 -5.478
74 HD3 LYS 8 3HD LYS 8 11.602 -8.539 -4.656
75 HE2 LYS 8 2HE LYS 8 14.576 -8.921 -4.599
76 HE3 LYS 8 3HE LYS 8 13.787 -8.129 -5.961
77 HZ1 LYS 8 3HZ LYS 8 14.290 -7.141 -3.306
78 HZ2 LYS 8 1HZ LYS 8 12.703 -6.874 -3.830
79 HZ3 LYS 8 2HZ LYS 8 14.004 -6.291 -4.740
80 H CYS 9 H CYS 9 11.488 -11.152 -1.487
81 HA CYS 9 HA CYS 9 10.603 -13.600 -0.117
82 HB2 CYS 9 2HB CYS 9 12.558 -11.538 0.525
83 HB3 CYS 9 3HB CYS 9 11.420 -11.805 1.840
84 HG CYS 9 HG CYS 9 12.472 -14.698 0.660
85 HA PRO 10 HA PRO 10 6.710 -11.583 0.531
86 HB2 PRO 10 2HB PRO 10 5.686 -13.413 2.255
87 HB3 PRO 10 3HB PRO 10 5.800 -13.693 0.514
88 HG2 PRO 10 2HG PRO 10 7.609 -14.634 2.706
89 HG3 PRO 10 3HG PRO 10 7.000 -15.524 1.298
90 HD2 PRO 10 2HD PRO 10 9.492 -14.468 1.389
91 HD3 PRO 10 3HD PRO 10 8.566 -14.601 -0.119
92 H LEU 11 H LEU 11 9.166 -12.057 2.826
93 HA LEU 11 HA LEU 11 7.847 -11.191 5.176
94 HB2 LEU 11 2HB LEU 11 9.940 -11.143 6.177
95 HB3 LEU 11 3HB LEU 11 10.101 -12.380 4.932
96 HG LEU 11 HG LEU 11 11.030 -10.290 3.555
97 HD11 LEU 11 1HD1 LEU 11 10.999 -8.528 5.002
98 HD12 LEU 11 2HD1 LEU 11 12.598 -9.177 5.363
99 HD13 LEU 11 3HD1 LEU 11 11.238 -9.544 6.424
100 HD21 LEU 11 3HD2 LEU 11 13.043 -11.325 3.702
101 HD22 LEU 11 1HD2 LEU 11 12.062 -12.575 4.466
102 HD23 LEU 11 2HD2 LEU 11 12.980 -11.444 5.461
103 H PHE 12 H PHE 12 8.647 -9.550 2.364
104 HA PHE 12 HA PHE 12 9.229 -6.990 3.532
105 HB2 PHE 12 2HB PHE 12 8.637 -7.910 0.724
106 HB3 PHE 12 3HB PHE 12 8.837 -6.207 1.122
107 HD1 PHE 12 HD1 PHE 12 10.599 -9.431 1.794
108 HD2 PHE 12 HD2 PHE 12 10.908 -5.322 0.726
109 HE1 PHE 12 HE1 PHE 12 13.038 -9.674 1.577
110 HE2 PHE 12 HE2 PHE 12 13.347 -5.559 0.507
111 HZ PHE 12 HZ PHE 12 14.415 -7.737 0.932
112 H GLY 13 H GLY 13 7.081 -7.590 4.862
113 HA2 GLY 13 2HA GLY 13 4.586 -7.024 3.649
114 HA3 GLY 13 3HA GLY 13 4.922 -6.996 5.374
115 H LYS 14 H LYS 14 7.090 -4.979 4.922
116 HA LYS 14 HA LYS 14 5.350 -2.639 4.488
117 HB2 LYS 14 2HB LYS 14 6.984 -1.478 6.079
118 HB3 LYS 14 3HB LYS 14 5.849 -2.621 6.785
119 HG2 LYS 14 2HG LYS 14 8.406 -3.799 5.979
120 HG3 LYS 14 3HG LYS 14 8.522 -2.585 7.255
121 HD2 LYS 14 2HD LYS 14 6.475 -4.768 7.400
122 HD3 LYS 14 3HD LYS 14 8.140 -5.060 7.907
123 HE2 LYS 14 2HE LYS 14 7.016 -2.591 8.981
124 HE3 LYS 14 3HE LYS 14 6.132 -4.032 9.478
125 HZ1 LYS 14 3HZ LYS 14 7.700 -4.280 11.013
126 HZ2 LYS 14 1HZ LYS 14 8.699 -3.108 10.314
127 HZ3 LYS 14 2HZ LYS 14 8.764 -4.708 9.769
128 H GLY 15 H GLY 15 8.423 -4.155 3.867
129 HA2 GLY 15 2HA GLY 15 9.867 -1.997 2.836
130 HA3 GLY 15 3HA GLY 15 10.087 -3.675 2.362
131 H GLY 16 H GLY 16 9.207 -4.417 0.458
132 HA2 GLY 16 2HA GLY 16 7.590 -4.164 -1.346
133 HA3 GLY 16 3HA GLY 16 7.748 -2.424 -1.159
Start of MODEL 13
1 H1 VAL 1 H VAL 1 0.034 -0.354 0.945
2 HA VAL 1 HA VAL 1 1.365 -0.508 -1.058
3 HB VAL 1 HB VAL 1 2.979 1.337 -0.808
4 HG11 VAL 1 1HG1 VAL 1 0.453 1.646 -1.004
5 HG12 VAL 1 2HG1 VAL 1 0.490 2.050 0.713
6 HG13 VAL 1 3HG1 VAL 1 1.396 3.027 -0.444
7 HG21 VAL 1 3HG2 VAL 1 2.332 1.052 2.122
8 HG22 VAL 1 1HG2 VAL 1 3.908 0.887 1.346
9 HG23 VAL 1 2HG2 VAL 1 3.123 2.465 1.422
10 H ALA 2 H ALA 2 2.051 -2.796 0.537
11 HA ALA 2 HA ALA 2 4.962 -2.893 0.072
12 HB1 ALA 2 1HB ALA 2 5.046 -4.635 1.841
13 HB2 ALA 2 2HB ALA 2 4.549 -3.049 2.432
14 HB3 ALA 2 3HB ALA 2 3.345 -4.313 2.183
15 H ARG 3 H ARG 3 4.212 -3.470 -2.149
16 HA ARG 3 HA ARG 3 3.119 -6.156 -2.424
17 HB2 ARG 3 2HB ARG 3 2.271 -4.367 -3.883
18 HB3 ARG 3 3HB ARG 3 3.889 -4.126 -4.528
19 HG2 ARG 3 2HG ARG 3 3.182 -6.877 -4.795
20 HG3 ARG 3 3HG ARG 3 1.888 -5.873 -5.453
21 HD2 ARG 3 2HD ARG 3 3.996 -4.599 -6.496
22 HD3 ARG 3 3HD ARG 3 4.685 -6.216 -6.359
23 HE ARG 3 HE ARG 3 2.092 -6.158 -7.602
24 HH11 ARG 3 1HH1 ARG 3 5.525 -5.878 -8.112
25 HH12 ARG 3 2HH1 ARG 3 5.444 -6.323 -9.785
26 HH21 ARG 3 1HH2 ARG 3 1.973 -6.746 -9.802
27 HH22 ARG 3 2HH2 ARG 3 3.424 -6.815 -10.745
28 H GLY 4 H GLY 4 6.140 -4.677 -2.197
29 HA2 GLY 4 2HA GLY 4 7.697 -6.162 -3.997
30 HA3 GLY 4 3HA GLY 4 8.284 -5.434 -2.509
31 H TRP 5 H TRP 5 6.006 -7.223 -1.266
32 HA TRP 5 HA TRP 5 7.765 -9.266 -0.374
33 HB2 TRP 5 2HB TRP 5 5.944 -10.047 0.949
34 HB3 TRP 5 3HB TRP 5 5.817 -8.291 0.914
35 HD1 TRP 5 HD1 TRP 5 4.096 -7.487 -1.330
36 HE1 TRP 5 HE1 TRP 5 1.723 -8.389 -1.754
37 HE3 TRP 5 HE3 TRP 5 4.397 -11.843 1.329
38 HZ2 TRP 5 HZ2 TRP 5 0.182 -10.648 -1.053
39 HZ3 TRP 5 HZ3 TRP 5 2.429 -13.318 1.403
40 HH2 TRP 5 HH2 TRP 5 0.366 -12.731 0.236
41 H LYS 6 H LYS 6 5.147 -9.159 -2.736
42 HA LYS 6 HA LYS 6 5.121 -11.962 -3.247
43 HB2 LYS 6 2HB LYS 6 3.251 -10.323 -3.734
44 HB3 LYS 6 3HB LYS 6 4.193 -9.781 -5.116
45 HG2 LYS 6 2HG LYS 6 2.405 -11.445 -5.635
46 HG3 LYS 6 3HG LYS 6 4.024 -11.899 -6.172
47 HD2 LYS 6 2HD LYS 6 4.102 -13.682 -4.807
48 HD3 LYS 6 3HD LYS 6 3.353 -12.809 -3.468
49 HE2 LYS 6 2HE LYS 6 1.638 -14.218 -3.887
50 HE3 LYS 6 3HE LYS 6 1.242 -13.016 -5.114
51 HZ1 LYS 6 3HZ LYS 6 2.416 -15.684 -5.439
52 HZ2 LYS 6 1HZ LYS 6 2.822 -14.482 -6.558
53 HZ3 LYS 6 2HZ LYS 6 1.204 -14.924 -6.342
54 H ARG 7 H ARG 7 7.105 -9.352 -4.292
55 HA ARG 7 HA ARG 7 7.981 -10.309 -6.774
56 HB2 ARG 7 2HB ARG 7 9.009 -8.401 -4.747
57 HB3 ARG 7 3HB ARG 7 10.173 -9.017 -5.912
58 HG2 ARG 7 2HG ARG 7 7.607 -7.572 -6.539
59 HG3 ARG 7 3HG ARG 7 9.244 -6.929 -6.685
60 HD2 ARG 7 2HD ARG 7 9.446 -9.173 -8.184
61 HD3 ARG 7 3HD ARG 7 7.755 -8.752 -8.452
62 HE ARG 7 HE ARG 7 9.222 -6.429 -8.803
63 HH11 ARG 7 1HH1 ARG 7 8.992 -9.578 -10.269
64 HH12 ARG 7 2HH1 ARG 7 9.457 -9.023 -11.843
65 HH21 ARG 7 1HH2 ARG 7 9.835 -5.686 -10.871
66 HH22 ARG 7 2HH2 ARG 7 9.937 -6.809 -12.184
67 H LYS 8 H LYS 8 10.234 -10.195 -4.062
68 HA LYS 8 HA LYS 8 11.297 -12.788 -4.903
69 HB2 LYS 8 2HB LYS 8 12.432 -10.712 -3.020
70 HB3 LYS 8 3HB LYS 8 13.239 -12.202 -3.489
71 HG2 LYS 8 2HG LYS 8 13.429 -11.473 -5.752
72 HG3 LYS 8 3HG LYS 8 12.406 -10.069 -5.440
73 HD2 LYS 8 2HD LYS 8 14.633 -9.270 -5.459
74 HD3 LYS 8 3HD LYS 8 14.151 -9.334 -3.762
75 HE2 LYS 8 2HE LYS 8 15.298 -11.495 -3.536
76 HE3 LYS 8 3HE LYS 8 15.798 -11.398 -5.224
77 HZ1 LYS 8 3HZ LYS 8 17.176 -9.567 -4.767
78 HZ2 LYS 8 1HZ LYS 8 17.482 -10.673 -3.524
79 HZ3 LYS 8 2HZ LYS 8 16.505 -9.323 -3.234
80 H CYS 9 H CYS 9 11.233 -11.296 -1.684
81 HA CYS 9 HA CYS 9 10.239 -13.847 -0.617
82 HB2 CYS 9 2HB CYS 9 11.684 -11.600 0.804
83 HB3 CYS 9 3HB CYS 9 11.184 -13.120 1.535
84 HG CYS 9 HG CYS 9 12.894 -14.688 -0.039
85 HA PRO 10 HA PRO 10 6.383 -11.863 0.255
86 HB2 PRO 10 2HB PRO 10 5.363 -13.794 1.867
87 HB3 PRO 10 3HB PRO 10 5.458 -13.962 0.110
88 HG2 PRO 10 2HG PRO 10 7.281 -15.053 2.219
89 HG3 PRO 10 3HG PRO 10 6.653 -15.847 0.762
90 HD2 PRO 10 2HD PRO 10 9.153 -14.815 0.896
91 HD3 PRO 10 3HD PRO 10 8.212 -14.843 -0.608
92 H LEU 11 H LEU 11 8.868 -12.471 2.474
93 HA LEU 11 HA LEU 11 7.505 -11.642 4.856
94 HB2 LEU 11 2HB LEU 11 9.798 -11.525 5.810
95 HB3 LEU 11 3HB LEU 11 9.383 -13.083 5.097
96 HG LEU 11 HG LEU 11 10.629 -11.829 3.015
97 HD11 LEU 11 1HD1 LEU 11 11.547 -9.972 3.949
98 HD12 LEU 11 2HD1 LEU 11 12.818 -11.130 4.338
99 HD13 LEU 11 3HD1 LEU 11 11.628 -10.684 5.561
100 HD21 LEU 11 3HD2 LEU 11 11.703 -13.635 5.169
101 HD22 LEU 11 1HD2 LEU 11 12.613 -13.223 3.715
102 HD23 LEU 11 2HD2 LEU 11 11.079 -14.083 3.580
103 H PHE 12 H PHE 12 8.430 -9.987 2.158
104 HA PHE 12 HA PHE 12 9.401 -7.585 3.420
105 HB2 PHE 12 2HB PHE 12 9.643 -8.597 0.902
106 HB3 PHE 12 3HB PHE 12 8.375 -7.399 0.662
107 HD1 PHE 12 HD1 PHE 12 9.229 -5.329 2.606
108 HD2 PHE 12 HD2 PHE 12 11.479 -7.648 -0.165
109 HE1 PHE 12 HE1 PHE 12 10.927 -3.552 2.503
110 HE2 PHE 12 HE2 PHE 12 13.182 -5.875 -0.271
111 HZ PHE 12 HZ PHE 12 12.908 -3.824 1.064
112 H GLY 13 H GLY 13 7.200 -7.994 4.764
113 HA2 GLY 13 2HA GLY 13 4.873 -6.813 3.531
114 HA3 GLY 13 3HA GLY 13 5.026 -7.318 5.207
115 H LYS 14 H LYS 14 7.468 -5.734 5.615
116 HA LYS 14 HA LYS 14 6.278 -3.359 6.547
117 HB2 LYS 14 2HB LYS 14 8.294 -4.316 7.558
118 HB3 LYS 14 3HB LYS 14 9.200 -3.989 6.086
119 HG2 LYS 14 2HG LYS 14 9.596 -2.358 7.913
120 HG3 LYS 14 3HG LYS 14 9.017 -1.632 6.412
121 HD2 LYS 14 2HD LYS 14 7.161 -0.858 7.390
122 HD3 LYS 14 3HD LYS 14 6.849 -2.397 8.195
123 HE2 LYS 14 2HE LYS 14 7.275 -1.192 10.056
124 HE3 LYS 14 3HE LYS 14 8.951 -1.537 9.635
125 HZ1 LYS 14 3HZ LYS 14 7.915 0.929 10.014
126 HZ2 LYS 14 1HZ LYS 14 7.890 0.795 8.328
127 HZ3 LYS 14 2HZ LYS 14 9.343 0.596 9.170
128 H GLY 15 H GLY 15 9.004 -3.422 4.263
129 HA2 GLY 15 2HA GLY 15 8.284 -0.893 3.158
130 HA3 GLY 15 3HA GLY 15 9.542 -1.965 2.562
131 H GLY 16 H GLY 16 9.172 -3.177 0.776
132 HA2 GLY 16 2HA GLY 16 8.106 -3.966 -1.098
133 HA3 GLY 16 3HA GLY 16 6.628 -3.969 -0.148
Start of MODEL 14
1 H1 VAL 1 H VAL 1 -0.899 -3.746 2.040
2 HA VAL 1 HA VAL 1 0.245 -5.545 1.007
3 HB VAL 1 HB VAL 1 -0.317 -3.623 -1.254
4 HG11 VAL 1 1HG1 VAL 1 0.335 -6.491 -1.078
5 HG12 VAL 1 2HG1 VAL 1 -0.988 -6.068 -2.167
6 HG13 VAL 1 3HG1 VAL 1 0.604 -5.342 -2.388
7 HG21 VAL 1 3HG2 VAL 1 -2.558 -4.755 -1.296
8 HG22 VAL 1 1HG2 VAL 1 -2.159 -5.450 0.275
9 HG23 VAL 1 2HG2 VAL 1 -2.282 -3.701 0.091
10 H ALA 2 H ALA 2 2.271 -6.206 0.791
11 HA ALA 2 HA ALA 2 4.342 -4.267 0.091
12 HB1 ALA 2 1HB ALA 2 5.762 -6.436 0.707
13 HB2 ALA 2 2HB ALA 2 5.140 -5.329 1.930
14 HB3 ALA 2 3HB ALA 2 4.279 -6.827 1.578
15 H ARG 3 H ARG 3 3.233 -4.483 -2.162
16 HA ARG 3 HA ARG 3 3.606 -6.746 -3.757
17 HB2 ARG 3 2HB ARG 3 2.346 -5.388 -5.018
18 HB3 ARG 3 3HB ARG 3 2.894 -3.959 -4.152
19 HG2 ARG 3 2HG ARG 3 4.788 -3.725 -5.567
20 HG3 ARG 3 3HG ARG 3 4.503 -5.302 -6.307
21 HD2 ARG 3 2HD ARG 3 2.178 -3.598 -6.521
22 HD3 ARG 3 3HD ARG 3 3.602 -2.828 -7.218
23 HE ARG 3 HE ARG 3 3.295 -5.543 -8.062
24 HH11 ARG 3 1HH1 ARG 3 2.251 -2.271 -8.633
25 HH12 ARG 3 2HH1 ARG 3 1.831 -2.556 -10.290
26 HH21 ARG 3 1HH2 ARG 3 2.746 -5.930 -10.242
27 HH22 ARG 3 2HH2 ARG 3 2.112 -4.638 -11.204
28 H GLY 4 H GLY 4 5.645 -3.826 -3.513
29 HA2 GLY 4 2HA GLY 4 7.664 -4.562 -5.250
30 HA3 GLY 4 3HA GLY 4 7.902 -3.544 -3.837
31 H TRP 5 H TRP 5 6.961 -5.852 -2.118
32 HA TRP 5 HA TRP 5 9.580 -7.140 -1.944
33 HB2 TRP 5 2HB TRP 5 7.350 -7.451 0.053
34 HB3 TRP 5 3HB TRP 5 9.084 -7.623 0.305
35 HD1 TRP 5 HD1 TRP 5 6.586 -4.782 -0.581
36 HE1 TRP 5 HE1 TRP 5 7.417 -2.624 0.549
37 HE3 TRP 5 HE3 TRP 5 10.914 -6.559 1.480
38 HZ2 TRP 5 HZ2 TRP 5 9.616 -1.785 2.107
39 HZ3 TRP 5 HZ3 TRP 5 12.325 -5.014 2.775
40 HH2 TRP 5 HH2 TRP 5 11.688 -2.677 3.081
41 H LYS 6 H LYS 6 6.207 -7.860 -2.516
42 HA LYS 6 HA LYS 6 6.038 -10.557 -2.138
43 HB2 LYS 6 2HB LYS 6 4.854 -8.744 -4.208
44 HB3 LYS 6 3HB LYS 6 4.570 -10.477 -4.307
45 HG2 LYS 6 2HG LYS 6 3.457 -10.508 -2.221
46 HG3 LYS 6 3HG LYS 6 3.986 -8.869 -1.836
47 HD2 LYS 6 2HD LYS 6 2.105 -8.094 -2.732
48 HD3 LYS 6 3HD LYS 6 2.628 -8.716 -4.299
49 HE2 LYS 6 2HE LYS 6 0.667 -9.849 -4.121
50 HE3 LYS 6 3HE LYS 6 1.704 -10.984 -3.257
51 HZ1 LYS 6 3HZ LYS 6 -0.398 -9.253 -2.244
52 HZ2 LYS 6 1HZ LYS 6 0.976 -9.390 -1.267
53 HZ3 LYS 6 2HZ LYS 6 0.108 -10.774 -1.703
54 H ARG 7 H ARG 7 7.363 -8.916 -4.996
55 HA ARG 7 HA ARG 7 7.880 -11.010 -6.659
56 HB2 ARG 7 2HB ARG 7 8.397 -8.719 -7.273
57 HB3 ARG 7 3HB ARG 7 9.677 -8.653 -6.069
58 HG2 ARG 7 2HG ARG 7 10.353 -8.991 -8.500
59 HG3 ARG 7 3HG ARG 7 11.069 -10.066 -7.298
60 HD2 ARG 7 2HD ARG 7 9.986 -11.890 -8.089
61 HD3 ARG 7 3HD ARG 7 8.540 -10.976 -8.516
62 HE ARG 7 HE ARG 7 10.572 -10.223 -10.268
63 HH11 ARG 7 1HH1 ARG 7 8.694 -13.047 -9.485
64 HH12 ARG 7 2HH1 ARG 7 8.782 -13.709 -11.084
65 HH21 ARG 7 1HH2 ARG 7 10.695 -11.084 -12.377
66 HH22 ARG 7 2HH2 ARG 7 9.921 -12.592 -12.728
67 H LYS 8 H LYS 8 10.149 -9.825 -4.172
68 HA LYS 8 HA LYS 8 11.695 -12.281 -4.402
69 HB2 LYS 8 2HB LYS 8 12.148 -9.825 -2.695
70 HB3 LYS 8 3HB LYS 8 13.266 -11.173 -2.859
71 HG2 LYS 8 2HG LYS 8 13.612 -10.671 -5.185
72 HG3 LYS 8 3HG LYS 8 12.377 -9.410 -5.132
73 HD2 LYS 8 2HD LYS 8 14.384 -8.231 -4.965
74 HD3 LYS 8 3HD LYS 8 13.831 -8.353 -3.293
75 HE2 LYS 8 2HE LYS 8 15.591 -9.597 -2.689
76 HE3 LYS 8 3HE LYS 8 15.485 -10.604 -4.132
77 HZ1 LYS 8 3HZ LYS 8 16.390 -7.985 -4.767
78 HZ2 LYS 8 1HZ LYS 8 17.127 -9.477 -5.074
79 HZ3 LYS 8 2HZ LYS 8 17.384 -8.695 -3.597
80 H CYS 9 H CYS 9 10.806 -10.436 -1.499
81 HA CYS 9 HA CYS 9 9.895 -12.961 -0.284
82 HB2 CYS 9 2HB CYS 9 11.730 -10.857 0.719
83 HB3 CYS 9 3HB CYS 9 10.594 -11.525 1.885
84 HG CYS 9 HG CYS 9 13.363 -12.675 1.665
85 HA PRO 10 HA PRO 10 6.155 -10.428 -0.166
86 HB2 PRO 10 2HB PRO 10 4.493 -12.527 0.287
87 HB3 PRO 10 3HB PRO 10 5.099 -12.111 -1.321
88 HG2 PRO 10 2HG PRO 10 6.068 -14.205 0.587
89 HG3 PRO 10 3HG PRO 10 5.832 -14.313 -1.167
90 HD2 PRO 10 2HD PRO 10 8.268 -13.938 -0.046
91 HD3 PRO 10 3HD PRO 10 7.830 -13.262 -1.628
92 H LEU 11 H LEU 11 7.665 -12.417 2.181
93 HA LEU 11 HA LEU 11 5.768 -12.090 4.284
94 HB2 LEU 11 2HB LEU 11 7.642 -12.841 5.740
95 HB3 LEU 11 3HB LEU 11 7.272 -13.927 4.402
96 HG LEU 11 HG LEU 11 9.299 -12.207 3.482
97 HD11 LEU 11 1HD1 LEU 11 10.213 -13.455 6.043
98 HD12 LEU 11 2HD1 LEU 11 9.551 -11.820 6.025
99 HD13 LEU 11 3HD1 LEU 11 10.984 -12.201 5.071
100 HD21 LEU 11 3HD2 LEU 11 10.624 -14.444 3.813
101 HD22 LEU 11 1HD2 LEU 11 9.316 -14.340 2.634
102 HD23 LEU 11 2HD2 LEU 11 9.029 -15.087 4.206
103 H PHE 12 H PHE 12 7.753 -9.909 2.775
104 HA PHE 12 HA PHE 12 8.316 -8.326 5.160
105 HB2 PHE 12 2HB PHE 12 9.082 -7.995 2.258
106 HB3 PHE 12 3HB PHE 12 9.444 -6.791 3.490
107 HD1 PHE 12 HD1 PHE 12 10.203 -8.482 5.767
108 HD2 PHE 12 HD2 PHE 12 11.144 -8.843 1.631
109 HE1 PHE 12 HE1 PHE 12 12.266 -9.693 6.345
110 HE2 PHE 12 HE2 PHE 12 13.207 -10.054 2.203
111 HZ PHE 12 HZ PHE 12 13.771 -10.482 4.562
112 H GLY 13 H GLY 13 5.888 -8.153 5.423
113 HA2 GLY 13 2HA GLY 13 4.437 -6.478 3.609
114 HA3 GLY 13 3HA GLY 13 3.906 -6.993 5.203
115 H LYS 14 H LYS 14 6.502 -4.934 3.879
116 HA LYS 14 HA LYS 14 5.958 -3.006 6.024
117 HB2 LYS 14 2HB LYS 14 8.329 -3.199 4.157
118 HB3 LYS 14 3HB LYS 14 8.157 -2.059 5.485
119 HG2 LYS 14 2HG LYS 14 8.143 -3.904 7.079
120 HG3 LYS 14 3HG LYS 14 8.296 -5.056 5.750
121 HD2 LYS 14 2HD LYS 14 10.505 -4.878 5.998
122 HD3 LYS 14 3HD LYS 14 10.362 -3.249 5.333
123 HE2 LYS 14 2HE LYS 14 10.000 -3.840 8.259
124 HE3 LYS 14 3HE LYS 14 11.577 -3.486 7.555
125 HZ1 LYS 14 3HZ LYS 14 10.524 -1.388 6.683
126 HZ2 LYS 14 1HZ LYS 14 10.748 -1.457 8.359
127 HZ3 LYS 14 2HZ LYS 14 9.211 -1.712 7.699
128 H GLY 15 H GLY 15 7.198 -2.623 2.706
129 HA2 GLY 15 2HA GLY 15 5.409 -0.306 2.411
130 HA3 GLY 15 3HA GLY 15 6.875 -0.588 1.483
131 H GLY 16 H GLY 16 6.633 -1.328 -0.522
132 HA2 GLY 16 2HA GLY 16 5.372 -3.310 -1.658
133 HA3 GLY 16 3HA GLY 16 3.978 -2.297 -1.311
Start of MODEL 15
1 H1 VAL 1 H VAL 1 4.421 1.141 -0.613
2 HA VAL 1 HA VAL 1 2.066 -0.331 -0.755
3 HB VAL 1 HB VAL 1 2.144 -1.243 -3.035
4 HG11 VAL 1 1HG1 VAL 1 1.930 1.598 -3.688
5 HG12 VAL 1 2HG1 VAL 1 0.714 0.321 -3.759
6 HG13 VAL 1 3HG1 VAL 1 1.053 1.133 -2.230
7 HG21 VAL 1 3HG2 VAL 1 3.457 0.269 -4.704
8 HG22 VAL 1 1HG2 VAL 1 4.427 0.667 -3.287
9 HG23 VAL 1 2HG2 VAL 1 4.301 -1.007 -3.827
10 H ALA 2 H ALA 2 2.424 -2.543 -0.572
11 HA ALA 2 HA ALA 2 5.256 -3.362 -0.507
12 HB1 ALA 2 1HB ALA 2 3.026 -4.126 1.369
13 HB2 ALA 2 2HB ALA 2 4.602 -4.917 1.334
14 HB3 ALA 2 3HB ALA 2 4.483 -3.207 1.749
15 H ARG 3 H ARG 3 4.828 -3.999 -2.765
16 HA ARG 3 HA ARG 3 3.184 -6.407 -3.046
17 HB2 ARG 3 2HB ARG 3 2.861 -4.575 -4.676
18 HB3 ARG 3 3HB ARG 3 4.540 -4.740 -5.172
19 HG2 ARG 3 2HG ARG 3 3.315 -7.295 -5.342
20 HG3 ARG 3 3HG ARG 3 2.269 -6.119 -6.139
21 HD2 ARG 3 2HD ARG 3 4.721 -5.369 -7.048
22 HD3 ARG 3 3HD ARG 3 4.923 -7.114 -6.900
23 HE ARG 3 HE ARG 3 2.509 -6.354 -8.255
24 HH11 ARG 3 1HH1 ARG 3 5.916 -6.968 -8.621
25 HH12 ARG 3 2HH1 ARG 3 5.798 -7.356 -10.306
26 HH21 ARG 3 1HH2 ARG 3 2.340 -6.862 -10.472
27 HH22 ARG 3 2HH2 ARG 3 3.764 -7.294 -11.358
28 H GLY 4 H GLY 4 6.369 -5.518 -2.491
29 HA2 GLY 4 2HA GLY 4 7.880 -7.264 -4.040
30 HA3 GLY 4 3HA GLY 4 8.325 -6.718 -2.430
31 H TRP 5 H TRP 5 5.554 -8.058 -1.722
32 HA TRP 5 HA TRP 5 6.356 -10.186 -0.305
33 HB2 TRP 5 2HB TRP 5 3.831 -9.857 -1.917
34 HB3 TRP 5 3HB TRP 5 4.089 -11.251 -0.872
35 HD1 TRP 5 HD1 TRP 5 4.557 -7.424 -0.316
36 HE1 TRP 5 HE1 TRP 5 3.430 -6.815 1.916
37 HE3 TRP 5 HE3 TRP 5 2.794 -12.042 0.989
38 HZ2 TRP 5 HZ2 TRP 5 1.985 -8.120 3.960
39 HZ3 TRP 5 HZ3 TRP 5 1.550 -12.276 3.099
40 HH2 TRP 5 HH2 TRP 5 1.155 -10.355 4.552
41 H LYS 6 H LYS 6 4.790 -10.930 -3.402
42 HA LYS 6 HA LYS 6 6.072 -13.439 -3.639
43 HB2 LYS 6 2HB LYS 6 4.685 -11.790 -5.761
44 HB3 LYS 6 3HB LYS 6 5.098 -13.494 -5.900
45 HG2 LYS 6 2HG LYS 6 3.381 -14.160 -4.595
46 HG3 LYS 6 3HG LYS 6 3.464 -12.730 -3.564
47 HD2 LYS 6 2HD LYS 6 2.539 -11.436 -5.550
48 HD3 LYS 6 3HD LYS 6 2.184 -13.007 -6.273
49 HE2 LYS 6 2HE LYS 6 0.705 -13.576 -4.498
50 HE3 LYS 6 3HE LYS 6 1.223 -12.192 -3.538
51 HZ1 LYS 6 3HZ LYS 6 -0.965 -12.213 -5.064
52 HZ2 LYS 6 1HZ LYS 6 0.150 -11.554 -6.152
53 HZ3 LYS 6 2HZ LYS 6 -0.118 -10.806 -4.659
54 H ARG 7 H ARG 7 6.867 -10.233 -4.762
55 HA ARG 7 HA ARG 7 8.682 -10.809 -6.785
56 HB2 ARG 7 2HB ARG 7 8.904 -8.573 -4.762
57 HB3 ARG 7 3HB ARG 7 9.644 -8.618 -6.356
58 HG2 ARG 7 2HG ARG 7 7.332 -8.720 -7.322
59 HG3 ARG 7 3HG ARG 7 6.720 -8.410 -5.696
60 HD2 ARG 7 2HD ARG 7 6.891 -6.245 -6.220
61 HD3 ARG 7 3HD ARG 7 8.628 -6.462 -6.007
62 HE ARG 7 HE ARG 7 8.081 -7.182 -8.613
63 HH11 ARG 7 1HH1 ARG 7 7.753 -4.334 -6.637
64 HH12 ARG 7 2HH1 ARG 7 7.947 -3.234 -7.961
65 HH21 ARG 7 1HH2 ARG 7 8.337 -5.743 -10.365
66 HH22 ARG 7 2HH2 ARG 7 8.278 -4.037 -10.081
67 H LYS 8 H LYS 8 9.832 -9.654 -3.637
68 HA LYS 8 HA LYS 8 12.155 -11.412 -3.903
69 HB2 LYS 8 2HB LYS 8 11.635 -9.099 -2.026
70 HB3 LYS 8 3HB LYS 8 13.130 -10.023 -2.100
71 HG2 LYS 8 2HG LYS 8 13.595 -9.233 -4.301
72 HG3 LYS 8 3HG LYS 8 12.002 -8.485 -4.427
73 HD2 LYS 8 2HD LYS 8 12.551 -6.783 -2.932
74 HD3 LYS 8 3HD LYS 8 13.908 -7.686 -2.254
75 HE2 LYS 8 2HE LYS 8 14.272 -7.260 -5.080
76 HE3 LYS 8 3HE LYS 8 13.988 -5.729 -4.254
77 HZ1 LYS 8 3HZ LYS 8 15.732 -6.723 -2.596
78 HZ2 LYS 8 1HZ LYS 8 16.230 -5.933 -4.006
79 HZ3 LYS 8 2HZ LYS 8 16.203 -7.623 -3.949
80 H CYS 9 H CYS 9 10.551 -10.224 -0.972
81 HA CYS 9 HA CYS 9 10.318 -13.018 -0.067
82 HB2 CYS 9 2HB CYS 9 11.654 -10.746 1.160
83 HB3 CYS 9 3HB CYS 9 10.446 -11.446 2.231
84 HG CYS 9 HG CYS 9 12.894 -13.308 0.737
85 HA PRO 10 HA PRO 10 6.009 -12.063 0.283
86 HB2 PRO 10 2HB PRO 10 5.277 -14.314 1.611
87 HB3 PRO 10 3HB PRO 10 5.650 -14.296 -0.117
88 HG2 PRO 10 2HG PRO 10 7.377 -15.121 2.184
89 HG3 PRO 10 3HG PRO 10 7.166 -15.904 0.607
90 HD2 PRO 10 2HD PRO 10 9.298 -14.337 1.181
91 HD3 PRO 10 3HD PRO 10 8.606 -14.448 -0.450
92 H LEU 11 H LEU 11 8.252 -12.162 2.781
93 HA LEU 11 HA LEU 11 6.228 -11.457 4.799
94 HB2 LEU 11 2HB LEU 11 8.250 -11.809 6.373
95 HB3 LEU 11 3HB LEU 11 7.403 -13.209 5.719
96 HG LEU 11 HG LEU 11 9.210 -13.346 3.969
97 HD11 LEU 11 1HD1 LEU 11 10.036 -11.061 4.150
98 HD12 LEU 11 2HD1 LEU 11 11.324 -12.226 4.453
99 HD13 LEU 11 3HD1 LEU 11 10.570 -11.375 5.801
100 HD21 LEU 11 3HD2 LEU 11 10.456 -14.737 5.283
101 HD22 LEU 11 1HD2 LEU 11 9.039 -14.543 6.315
102 HD23 LEU 11 2HD2 LEU 11 10.498 -13.606 6.637
103 H PHE 12 H PHE 12 7.907 -9.906 2.623
104 HA PHE 12 HA PHE 12 9.146 -7.892 4.319
105 HB2 PHE 12 2HB PHE 12 9.786 -8.858 1.833
106 HB3 PHE 12 3HB PHE 12 8.978 -7.344 1.438
107 HD1 PHE 12 HD2 PHE 12 9.754 -5.490 3.438
108 HD2 PHE 12 HD1 PHE 12 12.056 -8.609 1.683
109 HE1 PHE 12 HE2 PHE 12 11.817 -4.254 3.957
110 HE2 PHE 12 HE1 PHE 12 14.124 -7.379 2.199
111 HZ PHE 12 HZ PHE 12 14.006 -5.198 3.337
112 H GLY 13 H GLY 13 6.369 -8.129 4.654
113 HA2 GLY 13 2HA GLY 13 4.830 -6.361 3.116
114 HA3 GLY 13 3HA GLY 13 4.480 -6.832 4.773
115 H LYS 14 H LYS 14 7.221 -5.727 5.517
116 HA LYS 14 HA LYS 14 6.320 -3.170 6.344
117 HB2 LYS 14 2HB LYS 14 8.458 -2.913 7.368
118 HB3 LYS 14 3HB LYS 14 8.008 -4.604 7.540
119 HG2 LYS 14 2HG LYS 14 10.140 -4.902 6.859
120 HG3 LYS 14 3HG LYS 14 9.387 -4.782 5.267
121 HD2 LYS 14 2HD LYS 14 10.524 -2.925 4.794
122 HD3 LYS 14 3HD LYS 14 10.031 -2.168 6.311
123 HE2 LYS 14 2HE LYS 14 11.890 -2.948 7.452
124 HE3 LYS 14 3HE LYS 14 12.170 -4.257 6.305
125 HZ1 LYS 14 3HZ LYS 14 13.754 -2.311 6.216
126 HZ2 LYS 14 1HZ LYS 14 12.484 -1.413 5.552
127 HZ3 LYS 14 2HZ LYS 14 13.066 -2.779 4.744
128 H GLY 15 H GLY 15 8.233 -4.303 3.640
129 HA2 GLY 15 2HA GLY 15 8.508 -1.503 2.735
130 HA3 GLY 15 3HA GLY 15 9.663 -2.771 2.349
131 H GLY 16 H GLY 16 9.189 -4.267 0.732
132 HA2 GLY 16 2HA GLY 16 8.333 -4.895 -1.304
133 HA3 GLY 16 3HA GLY 16 6.765 -4.671 -0.542
Start of MODEL 16
1 H1 VAL 1 H VAL 1 0.647 -1.413 -1.530
2 HA VAL 1 HA VAL 1 2.342 -0.862 -3.148
3 HB VAL 1 HB VAL 1 4.251 0.557 -2.461
4 HG11 VAL 1 1HG1 VAL 1 2.015 2.347 -1.858
5 HG12 VAL 1 2HG1 VAL 1 3.178 2.388 -3.184
6 HG13 VAL 1 3HG1 VAL 1 1.767 1.335 -3.280
7 HG21 VAL 1 3HG2 VAL 1 4.094 1.884 -0.411
8 HG22 VAL 1 1HG2 VAL 1 2.616 1.030 0.030
9 HG23 VAL 1 2HG2 VAL 1 4.147 0.158 -0.054
10 H ALA 2 H ALA 2 1.899 -3.066 -1.473
11 HA ALA 2 HA ALA 2 4.662 -3.858 -0.811
12 HB1 ALA 2 1HB ALA 2 2.274 -5.139 0.463
13 HB2 ALA 2 2HB ALA 2 3.944 -5.081 1.027
14 HB3 ALA 2 3HB ALA 2 2.938 -3.634 1.099
15 H ARG 3 H ARG 3 4.711 -4.453 -3.130
16 HA ARG 3 HA ARG 3 3.222 -6.898 -3.759
17 HB2 ARG 3 2HB ARG 3 3.464 -6.400 -5.990
18 HB3 ARG 3 3HB ARG 3 3.463 -4.781 -5.305
19 HG2 ARG 3 2HG ARG 3 6.091 -5.292 -5.222
20 HG3 ARG 3 3HG ARG 3 5.635 -6.291 -6.604
21 HD2 ARG 3 2HD ARG 3 4.760 -4.430 -7.777
22 HD3 ARG 3 3HD ARG 3 4.817 -3.409 -6.340
23 HE ARG 3 HE ARG 3 6.956 -3.934 -8.167
24 HH11 ARG 3 1HH1 ARG 3 6.186 -3.133 -4.868
25 HH12 ARG 3 2HH1 ARG 3 7.709 -2.368 -4.560
26 HH21 ARG 3 1HH2 ARG 3 8.966 -2.929 -7.774
27 HH22 ARG 3 2HH2 ARG 3 9.290 -2.252 -6.215
28 H GLY 4 H GLY 4 6.302 -5.823 -2.780
29 HA2 GLY 4 2HA GLY 4 8.050 -7.606 -3.990
30 HA3 GLY 4 3HA GLY 4 8.259 -6.951 -2.373
31 H TRP 5 H TRP 5 5.476 -8.332 -1.907
32 HA TRP 5 HA TRP 5 6.230 -10.391 -0.323
33 HB2 TRP 5 2HB TRP 5 3.770 -10.136 -2.051
34 HB3 TRP 5 3HB TRP 5 3.979 -11.450 -0.896
35 HD1 TRP 5 HD1 TRP 5 4.357 -7.580 -0.662
36 HE1 TRP 5 HE1 TRP 5 3.183 -6.810 1.496
37 HE3 TRP 5 HE3 TRP 5 2.734 -12.118 1.043
38 HZ2 TRP 5 HZ2 TRP 5 1.758 -7.973 3.637
39 HZ3 TRP 5 HZ3 TRP 5 1.473 -12.203 3.154
40 HH2 TRP 5 HH2 TRP 5 0.997 -10.172 4.423
41 H LYS 6 H LYS 6 4.798 -11.206 -3.471
42 HA LYS 6 HA LYS 6 6.207 -13.703 -3.547
43 HB2 LYS 6 2HB LYS 6 4.704 -12.470 -5.846
44 HB3 LYS 6 3HB LYS 6 4.969 -14.176 -5.507
45 HG2 LYS 6 2HG LYS 6 3.180 -12.283 -4.001
46 HG3 LYS 6 3HG LYS 6 2.690 -13.634 -5.025
47 HD2 LYS 6 2HD LYS 6 3.771 -15.194 -3.474
48 HD3 LYS 6 3HD LYS 6 4.255 -13.839 -2.450
49 HE2 LYS 6 2HE LYS 6 2.234 -13.705 -1.504
50 HE3 LYS 6 3HE LYS 6 1.408 -13.840 -3.055
51 HZ1 LYS 6 3HZ LYS 6 1.788 -15.816 -1.063
52 HZ2 LYS 6 1HZ LYS 6 2.457 -16.338 -2.527
53 HZ3 LYS 6 2HZ LYS 6 0.831 -15.878 -2.456
54 H ARG 7 H ARG 7 6.928 -10.535 -4.507
55 HA ARG 7 HA ARG 7 8.593 -11.150 -6.752
56 HB2 ARG 7 2HB ARG 7 7.603 -8.808 -5.484
57 HB3 ARG 7 3HB ARG 7 9.356 -8.684 -5.528
58 HG2 ARG 7 2HG ARG 7 9.435 -8.634 -7.820
59 HG3 ARG 7 3HG ARG 7 7.902 -9.489 -7.998
60 HD2 ARG 7 2HD ARG 7 6.657 -7.594 -7.736
61 HD3 ARG 7 3HD ARG 7 7.857 -6.820 -6.701
62 HE ARG 7 HE ARG 7 8.784 -5.874 -8.562
63 HH11 ARG 7 1HH1 ARG 7 6.776 -8.545 -9.539
64 HH12 ARG 7 2HH1 ARG 7 6.935 -8.214 -11.232
65 HH21 ARG 7 1HH2 ARG 7 9.001 -5.429 -10.788
66 HH22 ARG 7 2HH2 ARG 7 8.202 -6.442 -11.942
67 H LYS 8 H LYS 8 9.682 -9.483 -3.822
68 HA LYS 8 HA LYS 8 12.204 -10.941 -3.978
69 HB2 LYS 8 2HB LYS 8 11.396 -8.599 -2.243
70 HB3 LYS 8 3HB LYS 8 13.012 -9.286 -2.341
71 HG2 LYS 8 2HG LYS 8 13.229 -8.603 -4.629
72 HG3 LYS 8 3HG LYS 8 11.548 -8.067 -4.671
73 HD2 LYS 8 2HD LYS 8 11.974 -6.198 -3.385
74 HD3 LYS 8 3HD LYS 8 13.407 -6.910 -2.640
75 HE2 LYS 8 2HE LYS 8 14.426 -5.452 -4.062
76 HE3 LYS 8 3HE LYS 8 14.281 -6.837 -5.142
77 HZ1 LYS 8 3HZ LYS 8 12.170 -4.777 -5.020
78 HZ2 LYS 8 1HZ LYS 8 12.506 -5.877 -6.261
79 HZ3 LYS 8 2HZ LYS 8 13.537 -4.564 -5.993
80 H CYS 9 H CYS 9 10.412 -9.784 -1.137
81 HA CYS 9 HA CYS 9 10.665 -12.485 0.012
82 HB2 CYS 9 2HB CYS 9 11.467 -9.870 1.066
83 HB3 CYS 9 3HB CYS 9 10.494 -10.811 2.190
84 HG CYS 9 HG CYS 9 13.674 -11.152 1.383
85 HA PRO 10 HA PRO 10 6.246 -12.279 0.250
86 HB2 PRO 10 2HB PRO 10 5.897 -14.536 1.718
87 HB3 PRO 10 3HB PRO 10 6.289 -14.562 -0.005
88 HG2 PRO 10 2HG PRO 10 8.096 -14.923 2.355
89 HG3 PRO 10 3HG PRO 10 8.051 -15.829 0.831
90 HD2 PRO 10 2HD PRO 10 9.866 -13.879 1.313
91 HD3 PRO 10 3HD PRO 10 9.232 -14.213 -0.311
92 H LEU 11 H LEU 11 8.430 -11.836 2.767
93 HA LEU 11 HA LEU 11 6.274 -11.344 4.710
94 HB2 LEU 11 2HB LEU 11 8.362 -11.256 6.296
95 HB3 LEU 11 3HB LEU 11 7.635 -12.791 5.826
96 HG LEU 11 HG LEU 11 9.867 -11.787 4.154
97 HD11 LEU 11 1HD1 LEU 11 10.174 -12.715 6.992
98 HD12 LEU 11 2HD1 LEU 11 10.872 -11.295 6.214
99 HD13 LEU 11 3HD1 LEU 11 11.456 -12.906 5.796
100 HD21 LEU 11 3HD2 LEU 11 8.407 -14.159 4.465
101 HD22 LEU 11 1HD2 LEU 11 10.026 -14.500 5.077
102 HD23 LEU 11 2HD2 LEU 11 9.815 -13.887 3.437
103 H PHE 12 H PHE 12 7.741 -9.686 2.468
104 HA PHE 12 HA PHE 12 8.570 -7.396 4.080
105 HB2 PHE 12 2HB PHE 12 8.966 -8.256 1.265
106 HB3 PHE 12 3HB PHE 12 8.901 -6.522 1.563
107 HD1 PHE 12 HD1 PHE 12 10.281 -9.136 3.794
108 HD2 PHE 12 HD2 PHE 12 11.115 -5.881 1.181
109 HE1 PHE 12 HE1 PHE 12 12.637 -9.175 4.503
110 HE2 PHE 12 HE2 PHE 12 13.472 -5.915 1.885
111 HZ PHE 12 HZ PHE 12 14.236 -7.564 3.547
112 H GLY 13 H GLY 13 6.136 -7.444 4.717
113 HA2 GLY 13 2HA GLY 13 4.431 -6.129 2.746
114 HA3 GLY 13 3HA GLY 13 3.931 -6.726 4.321
115 H LYS 14 H LYS 14 6.796 -4.827 4.192
116 HA LYS 14 HA LYS 14 5.300 -2.523 5.262
117 HB2 LYS 14 2HB LYS 14 7.707 -2.105 6.330
118 HB3 LYS 14 3HB LYS 14 6.490 -3.097 7.122
119 HG2 LYS 14 2HG LYS 14 8.641 -4.191 7.194
120 HG3 LYS 14 3HG LYS 14 7.528 -5.108 6.176
121 HD2 LYS 14 2HD LYS 14 8.741 -4.746 4.310
122 HD3 LYS 14 3HD LYS 14 9.134 -3.087 4.766
123 HE2 LYS 14 2HE LYS 14 10.563 -4.439 6.606
124 HE3 LYS 14 3HE LYS 14 10.593 -5.601 5.281
125 HZ1 LYS 14 3HZ LYS 14 11.340 -2.750 4.956
126 HZ2 LYS 14 1HZ LYS 14 11.588 -4.013 3.859
127 HZ3 LYS 14 2HZ LYS 14 12.462 -3.967 5.307
128 H GLY 15 H GLY 15 7.538 -3.658 2.928
129 HA2 GLY 15 2HA GLY 15 8.139 -0.872 2.143
130 HA3 GLY 15 3HA GLY 15 9.235 -2.218 1.868
131 H GLY 16 H GLY 16 8.460 -3.945 0.399
132 HA2 GLY 16 2HA GLY 16 6.809 -4.574 -1.302
133 HA3 GLY 16 3HA GLY 16 6.617 -2.860 -1.639
Start of MODEL 17
1 H1 VAL 1 H VAL 1 3.942 1.211 0.175
2 HA VAL 1 HA VAL 1 1.811 -0.392 -0.963
3 HB VAL 1 HB VAL 1 3.946 0.754 -2.767
4 HG11 VAL 1 1HG1 VAL 1 1.890 -1.357 -3.067
5 HG12 VAL 1 2HG1 VAL 1 2.146 -0.278 -4.440
6 HG13 VAL 1 3HG1 VAL 1 3.491 -1.220 -3.794
7 HG21 VAL 1 3HG2 VAL 1 2.493 2.541 -2.443
8 HG22 VAL 1 1HG2 VAL 1 1.850 1.762 -3.888
9 HG23 VAL 1 2HG2 VAL 1 1.077 1.497 -2.325
10 H ALA 2 H ALA 2 2.344 -2.325 -0.182
11 HA ALA 2 HA ALA 2 5.149 -3.200 -0.424
12 HB1 ALA 2 1HB ALA 2 4.694 -4.667 1.547
13 HB2 ALA 2 2HB ALA 2 4.666 -2.939 1.899
14 HB3 ALA 2 3HB ALA 2 3.153 -3.831 1.741
15 H ARG 3 H ARG 3 4.438 -3.920 -2.584
16 HA ARG 3 HA ARG 3 2.735 -6.303 -2.557
17 HB2 ARG 3 2HB ARG 3 2.243 -4.536 -4.215
18 HB3 ARG 3 3HB ARG 3 3.847 -4.752 -4.902
19 HG2 ARG 3 2HG ARG 3 2.568 -7.287 -4.810
20 HG3 ARG 3 3HG ARG 3 1.459 -6.122 -5.536
21 HD2 ARG 3 2HD ARG 3 3.793 -5.466 -6.759
22 HD3 ARG 3 3HD ARG 3 3.998 -7.204 -6.543
23 HE ARG 3 HE ARG 3 1.501 -6.971 -7.586
24 HH11 ARG 3 1HH1 ARG 3 4.648 -5.837 -8.550
25 HH12 ARG 3 2HH1 ARG 3 4.288 -5.880 -10.244
26 HH21 ARG 3 1HH2 ARG 3 1.015 -7.032 -9.813
27 HH22 ARG 3 2HH2 ARG 3 2.221 -6.559 -10.962
28 H GLY 4 H GLY 4 5.976 -5.464 -2.423
29 HA2 GLY 4 2HA GLY 4 7.264 -7.296 -4.069
30 HA3 GLY 4 3HA GLY 4 7.904 -6.703 -2.543
31 H TRP 5 H TRP 5 5.218 -7.954 -1.460
32 HA TRP 5 HA TRP 5 6.138 -10.045 -0.066
33 HB2 TRP 5 2HB TRP 5 3.453 -9.722 -1.393
34 HB3 TRP 5 3HB TRP 5 3.805 -11.089 -0.340
35 HD1 TRP 5 HD1 TRP 5 4.375 -7.253 0.028
36 HE1 TRP 5 HE1 TRP 5 3.527 -6.557 2.356
37 HE3 TRP 5 HE3 TRP 5 2.745 -11.804 1.692
38 HZ2 TRP 5 HZ2 TRP 5 2.326 -7.775 4.601
39 HZ3 TRP 5 HZ3 TRP 5 1.760 -11.953 3.942
40 HH2 TRP 5 HH2 TRP 5 1.556 -9.979 5.365
41 H LYS 6 H LYS 6 4.222 -10.875 -2.936
42 HA LYS 6 HA LYS 6 5.437 -13.413 -3.217
43 HB2 LYS 6 2HB LYS 6 3.259 -13.230 -4.079
44 HB3 LYS 6 3HB LYS 6 3.637 -11.760 -4.967
45 HG2 LYS 6 2HG LYS 6 5.123 -14.202 -5.725
46 HG3 LYS 6 3HG LYS 6 3.407 -14.139 -6.136
47 HD2 LYS 6 2HD LYS 6 3.753 -12.649 -7.769
48 HD3 LYS 6 3HD LYS 6 4.805 -11.660 -6.752
49 HE2 LYS 6 2HE LYS 6 6.636 -12.487 -7.713
50 HE3 LYS 6 3HE LYS 6 6.084 -14.146 -7.480
51 HZ1 LYS 6 3HZ LYS 6 4.531 -13.156 -9.512
52 HZ2 LYS 6 1HZ LYS 6 5.832 -14.226 -9.669
53 HZ3 LYS 6 2HZ LYS 6 6.080 -12.562 -9.846
54 H ARG 7 H ARG 7 6.127 -10.267 -4.562
55 HA ARG 7 HA ARG 7 7.690 -10.949 -6.752
56 HB2 ARG 7 2HB ARG 7 8.178 -8.643 -4.859
57 HB3 ARG 7 3HB ARG 7 8.720 -8.760 -6.528
58 HG2 ARG 7 2HG ARG 7 6.308 -8.857 -7.205
59 HG3 ARG 7 3HG ARG 7 5.898 -8.479 -5.530
60 HD2 ARG 7 2HD ARG 7 6.052 -6.334 -6.120
61 HD3 ARG 7 3HD ARG 7 7.797 -6.584 -6.172
62 HE ARG 7 HE ARG 7 6.505 -7.300 -8.622
63 HH11 ARG 7 1HH1 ARG 7 7.775 -4.642 -6.766
64 HH12 ARG 7 2HH1 ARG 7 8.073 -3.647 -8.153
65 HH21 ARG 7 1HH2 ARG 7 6.893 -5.999 -10.455
66 HH22 ARG 7 2HH2 ARG 7 7.570 -4.420 -10.250
67 H LYS 8 H LYS 8 9.211 -9.698 -3.804
68 HA LYS 8 HA LYS 8 11.468 -11.501 -4.271
69 HB2 LYS 8 2HB LYS 8 11.192 -9.113 -2.436
70 HB3 LYS 8 3HB LYS 8 12.657 -10.064 -2.639
71 HG2 LYS 8 2HG LYS 8 12.886 -9.366 -4.907
72 HG3 LYS 8 3HG LYS 8 11.297 -8.598 -4.886
73 HD2 LYS 8 2HD LYS 8 12.891 -6.857 -4.657
74 HD3 LYS 8 3HD LYS 8 12.179 -7.096 -3.059
75 HE2 LYS 8 2HE LYS 8 14.206 -8.738 -2.757
76 HE3 LYS 8 3HE LYS 8 14.912 -7.768 -4.048
77 HZ1 LYS 8 3HZ LYS 8 14.695 -7.154 -1.311
78 HZ2 LYS 8 1HZ LYS 8 13.821 -6.006 -2.195
79 HZ3 LYS 8 2HZ LYS 8 15.457 -6.268 -2.535
80 H CYS 9 H CYS 9 10.232 -10.186 -1.219
81 HA CYS 9 HA CYS 9 10.068 -12.943 -0.193
82 HB2 CYS 9 2HB CYS 9 11.491 -10.593 0.841
83 HB3 CYS 9 3HB CYS 9 10.500 -11.410 2.044
84 HG CYS 9 HG CYS 9 11.738 -13.913 1.637
85 HA PRO 10 HA PRO 10 5.845 -11.895 0.625
86 HB2 PRO 10 2HB PRO 10 5.240 -14.088 2.107
87 HB3 PRO 10 3HB PRO 10 5.407 -14.133 0.347
88 HG2 PRO 10 2HG PRO 10 7.381 -14.915 2.457
89 HG3 PRO 10 3HG PRO 10 6.973 -15.745 0.944
90 HD2 PRO 10 2HD PRO 10 9.182 -14.201 1.210
91 HD3 PRO 10 3HD PRO 10 8.301 -14.352 -0.324
92 H LEU 11 H LEU 11 8.366 -11.943 2.840
93 HA LEU 11 HA LEU 11 6.620 -11.228 5.093
94 HB2 LEU 11 2HB LEU 11 8.360 -11.781 6.549
95 HB3 LEU 11 3HB LEU 11 8.395 -13.033 5.309
96 HG LEU 11 HG LEU 11 10.204 -11.331 4.282
97 HD11 LEU 11 1HD1 LEU 11 9.765 -10.352 6.901
98 HD12 LEU 11 2HD1 LEU 11 10.961 -9.825 5.718
99 HD13 LEU 11 3HD1 LEU 11 11.362 -11.100 6.867
100 HD21 LEU 11 3HD2 LEU 11 10.840 -13.347 6.431
101 HD22 LEU 11 1HD2 LEU 11 11.889 -12.821 5.115
102 HD23 LEU 11 2HD2 LEU 11 10.438 -13.759 4.763
103 H PHE 12 H PHE 12 8.049 -9.720 2.629
104 HA PHE 12 HA PHE 12 9.239 -7.517 4.106
105 HB2 PHE 12 2HB PHE 12 9.087 -8.323 1.239
106 HB3 PHE 12 3HB PHE 12 9.324 -6.617 1.604
107 HD1 PHE 12 HD2 PHE 12 10.631 -9.594 3.400
108 HD2 PHE 12 HD1 PHE 12 11.522 -6.202 0.987
109 HE1 PHE 12 HE2 PHE 12 13.036 -10.001 3.720
110 HE2 PHE 12 HE1 PHE 12 13.928 -6.605 1.303
111 HZ PHE 12 HZ PHE 12 14.689 -8.506 2.672
112 H GLY 13 H GLY 13 6.883 -7.417 5.066
113 HA2 GLY 13 2HA GLY 13 5.003 -5.969 3.403
114 HA3 GLY 13 3HA GLY 13 4.776 -6.425 5.084
115 H LYS 14 H LYS 14 7.757 -4.979 4.741
116 HA LYS 14 HA LYS 14 6.688 -2.441 5.759
117 HB2 LYS 14 2HB LYS 14 9.065 -2.094 6.552
118 HB3 LYS 14 3HB LYS 14 8.189 -3.411 7.321
119 HG2 LYS 14 2HG LYS 14 9.671 -4.915 6.637
120 HG3 LYS 14 3HG LYS 14 9.636 -4.308 4.981
121 HD2 LYS 14 2HD LYS 14 11.851 -3.990 5.689
122 HD3 LYS 14 3HD LYS 14 11.101 -2.398 5.832
123 HE2 LYS 14 2HE LYS 14 11.561 -2.330 8.004
124 HE3 LYS 14 3HE LYS 14 10.729 -3.862 8.266
125 HZ1 LYS 14 3HZ LYS 14 12.806 -4.460 8.895
126 HZ2 LYS 14 1HZ LYS 14 13.575 -3.332 7.895
127 HZ3 LYS 14 2HZ LYS 14 12.971 -4.769 7.240
128 H GLY 15 H GLY 15 8.631 -3.854 3.229
129 HA2 GLY 15 2HA GLY 15 9.144 -1.160 2.141
130 HA3 GLY 15 3HA GLY 15 10.106 -2.585 1.776
131 H GLY 16 H GLY 16 9.308 -4.134 0.310
132 HA2 GLY 16 2HA GLY 16 8.296 -4.733 -1.664
133 HA3 GLY 16 3HA GLY 16 6.814 -4.207 -0.879
Start of MODEL 18
1 H1 VAL 1 H VAL 1 3.034 1.392 -0.677
2 HA VAL 1 HA VAL 1 1.563 -0.566 0.383
3 HB VAL 1 HB VAL 1 0.902 -2.125 -1.369
4 HG11 VAL 1 1HG1 VAL 1 -0.650 -0.165 -2.576
5 HG12 VAL 1 2HG1 VAL 1 -1.047 -1.076 -1.117
6 HG13 VAL 1 3HG1 VAL 1 -0.260 0.498 -0.989
7 HG21 VAL 1 3HG2 VAL 1 2.153 -0.075 -3.143
8 HG22 VAL 1 1HG2 VAL 1 2.300 -1.832 -3.176
9 HG23 VAL 1 2HG2 VAL 1 0.824 -1.059 -3.755
10 H ALA 2 H ALA 2 2.625 -2.606 0.559
11 HA ALA 2 HA ALA 2 5.419 -2.515 -0.363
12 HB1 ALA 2 1HB ALA 2 4.206 -3.906 2.021
13 HB2 ALA 2 2HB ALA 2 5.897 -4.033 1.533
14 HB3 ALA 2 3HB ALA 2 5.240 -2.477 2.039
15 H ARG 3 H ARG 3 4.068 -3.365 -2.371
16 HA ARG 3 HA ARG 3 3.254 -6.073 -2.384
17 HB2 ARG 3 2HB ARG 3 2.489 -4.505 -4.083
18 HB3 ARG 3 3HB ARG 3 4.137 -4.286 -4.656
19 HG2 ARG 3 2HG ARG 3 3.368 -7.074 -4.661
20 HG3 ARG 3 3HG ARG 3 2.268 -6.082 -5.621
21 HD2 ARG 3 2HD ARG 3 5.134 -5.515 -5.984
22 HD3 ARG 3 3HD ARG 3 4.600 -7.100 -6.540
23 HE ARG 3 HE ARG 3 4.075 -4.597 -7.778
24 HH11 ARG 3 1HH1 ARG 3 2.694 -7.734 -7.165
25 HH12 ARG 3 2HH1 ARG 3 1.674 -7.703 -8.566
26 HH21 ARG 3 1HH2 ARG 3 2.737 -4.545 -9.625
27 HH22 ARG 3 2HH2 ARG 3 1.700 -5.889 -9.965
28 H GLY 4 H GLY 4 6.318 -4.671 -2.226
29 HA2 GLY 4 2HA GLY 4 7.894 -6.385 -3.777
30 HA3 GLY 4 3HA GLY 4 8.439 -5.539 -2.336
31 H TRP 5 H TRP 5 6.048 -7.113 -1.031
32 HA TRP 5 HA TRP 5 7.690 -9.140 0.103
33 HB2 TRP 5 2HB TRP 5 5.820 -9.684 1.465
34 HB3 TRP 5 3HB TRP 5 5.758 -7.939 1.233
35 HD1 TRP 5 HD1 TRP 5 4.122 -7.354 -1.153
36 HE1 TRP 5 HE1 TRP 5 1.720 -8.207 -1.515
37 HE3 TRP 5 HE3 TRP 5 4.185 -11.339 2.048
38 HZ2 TRP 5 HZ2 TRP 5 0.071 -10.293 -0.568
39 HZ3 TRP 5 HZ3 TRP 5 2.154 -12.712 2.263
40 HH2 TRP 5 HH2 TRP 5 0.140 -12.198 0.981
41 H LYS 6 H LYS 6 5.163 -9.112 -2.349
42 HA LYS 6 HA LYS 6 4.996 -11.954 -2.586
43 HB2 LYS 6 2HB LYS 6 3.084 -10.746 -3.278
44 HB3 LYS 6 3HB LYS 6 4.034 -9.662 -4.285
45 HG2 LYS 6 2HG LYS 6 4.100 -12.541 -4.968
46 HG3 LYS 6 3HG LYS 6 2.601 -11.663 -5.282
47 HD2 LYS 6 2HD LYS 6 4.785 -10.064 -6.166
48 HD3 LYS 6 3HD LYS 6 4.985 -11.692 -6.818
49 HE2 LYS 6 2HE LYS 6 2.416 -11.414 -7.354
50 HE3 LYS 6 3HE LYS 6 2.823 -9.700 -7.289
51 HZ1 LYS 6 3HZ LYS 6 3.135 -11.349 -9.440
52 HZ2 LYS 6 1HZ LYS 6 4.705 -11.201 -8.827
53 HZ3 LYS 6 2HZ LYS 6 3.829 -9.818 -9.252
54 H ARG 7 H ARG 7 7.181 -9.593 -3.724
55 HA ARG 7 HA ARG 7 8.024 -10.801 -6.132
56 HB2 ARG 7 2HB ARG 7 9.101 -8.745 -4.279
57 HB3 ARG 7 3HB ARG 7 10.250 -9.514 -5.366
58 HG2 ARG 7 2HG ARG 7 7.754 -8.025 -6.153
59 HG3 ARG 7 3HG ARG 7 9.421 -7.481 -6.352
60 HD2 ARG 7 2HD ARG 7 9.503 -9.876 -7.619
61 HD3 ARG 7 3HD ARG 7 7.842 -9.383 -7.946
62 HE ARG 7 HE ARG 7 9.625 -7.252 -8.473
63 HH11 ARG 7 1HH1 ARG 7 8.561 -10.311 -9.749
64 HH12 ARG 7 2HH1 ARG 7 8.914 -9.895 -11.394
65 HH21 ARG 7 1HH2 ARG 7 10.093 -6.692 -10.634
66 HH22 ARG 7 2HH2 ARG 7 9.785 -7.837 -11.896
67 H LYS 8 H LYS 8 10.212 -10.511 -3.375
68 HA LYS 8 HA LYS 8 11.179 -13.218 -3.932
69 HB2 LYS 8 2HB LYS 8 12.940 -12.291 -2.126
70 HB3 LYS 8 3HB LYS 8 13.090 -11.996 -3.854
71 HG2 LYS 8 2HG LYS 8 11.545 -10.069 -2.191
72 HG3 LYS 8 3HG LYS 8 13.309 -10.042 -2.130
73 HD2 LYS 8 2HD LYS 8 12.250 -10.194 -4.845
74 HD3 LYS 8 3HD LYS 8 11.742 -8.742 -3.979
75 HE2 LYS 8 2HE LYS 8 14.036 -8.170 -3.506
76 HE3 LYS 8 3HE LYS 8 14.597 -9.686 -4.210
77 HZ1 LYS 8 3HZ LYS 8 12.978 -8.109 -5.992
78 HZ2 LYS 8 1HZ LYS 8 14.472 -8.858 -6.263
79 HZ3 LYS 8 2HZ LYS 8 14.409 -7.337 -5.525
80 H CYS 9 H CYS 9 11.157 -11.382 -0.897
81 HA CYS 9 HA CYS 9 10.059 -13.758 0.435
82 HB2 CYS 9 2HB CYS 9 10.949 -12.709 2.524
83 HB3 CYS 9 3HB CYS 9 12.189 -13.097 1.338
84 HG CYS 9 HG CYS 9 12.593 -10.596 2.761
85 HA PRO 10 HA PRO 10 6.248 -11.576 0.982
86 HB2 PRO 10 2HB PRO 10 5.126 -13.300 2.753
87 HB3 PRO 10 3HB PRO 10 5.257 -13.648 1.025
88 HG2 PRO 10 2HG PRO 10 6.992 -14.575 3.281
89 HG3 PRO 10 3HG PRO 10 6.373 -15.493 1.896
90 HD2 PRO 10 2HD PRO 10 8.902 -14.530 1.993
91 HD3 PRO 10 3HD PRO 10 7.996 -14.683 0.474
92 H LEU 11 H LEU 11 8.640 -12.072 3.344
93 HA LEU 11 HA LEU 11 7.252 -10.944 5.579
94 HB2 LEU 11 2HB LEU 11 9.478 -10.860 6.623
95 HB3 LEU 11 3HB LEU 11 9.090 -12.445 5.959
96 HG LEU 11 HG LEU 11 10.461 -11.343 3.892
97 HD11 LEU 11 1HD1 LEU 11 12.471 -10.291 4.864
98 HD12 LEU 11 2HD1 LEU 11 11.664 -10.250 6.431
99 HD13 LEU 11 3HD1 LEU 11 11.015 -9.320 5.081
100 HD21 LEU 11 3HD2 LEU 11 11.687 -12.799 6.233
101 HD22 LEU 11 1HD2 LEU 11 12.299 -12.750 4.579
102 HD23 LEU 11 2HD2 LEU 11 10.774 -13.562 4.930
103 H PHE 12 H PHE 12 8.308 -9.604 2.759
104 HA PHE 12 HA PHE 12 9.375 -7.137 3.777
105 HB2 PHE 12 2HB PHE 12 9.496 -8.402 1.351
106 HB3 PHE 12 3HB PHE 12 8.325 -7.127 1.031
107 HD1 PHE 12 HD2 PHE 12 9.032 -4.739 1.853
108 HD2 PHE 12 HD1 PHE 12 11.735 -7.944 1.115
109 HE1 PHE 12 HE2 PHE 12 10.867 -3.124 1.577
110 HE2 PHE 12 HE1 PHE 12 13.574 -6.333 0.839
111 HZ PHE 12 HZ PHE 12 13.142 -3.920 1.069
112 H GLY 13 H GLY 13 7.193 -7.290 5.185
113 HA2 GLY 13 2HA GLY 13 4.985 -5.964 3.810
114 HA3 GLY 13 3HA GLY 13 4.962 -6.588 5.453
115 H LYS 14 H LYS 14 7.575 -4.577 4.342
116 HA LYS 14 HA LYS 14 6.506 -2.361 5.964
117 HB2 LYS 14 2HB LYS 14 9.447 -2.799 5.572
118 HB3 LYS 14 3HB LYS 14 8.620 -1.918 6.850
119 HG2 LYS 14 2HG LYS 14 9.010 -3.723 8.095
120 HG3 LYS 14 3HG LYS 14 7.675 -4.457 7.203
121 HD2 LYS 14 2HD LYS 14 9.141 -5.556 5.716
122 HD3 LYS 14 3HD LYS 14 10.517 -4.574 6.225
123 HE2 LYS 14 2HE LYS 14 9.533 -5.827 8.542
124 HE3 LYS 14 3HE LYS 14 9.566 -7.065 7.287
125 HZ1 LYS 14 3HZ LYS 14 11.832 -5.388 8.209
126 HZ2 LYS 14 1HZ LYS 14 11.899 -6.383 6.842
127 HZ3 LYS 14 2HZ LYS 14 11.662 -7.063 8.372
128 H GLY 15 H GLY 15 9.186 -2.813 3.649
129 HA2 GLY 15 2HA GLY 15 8.733 -0.201 2.523
130 HA3 GLY 15 3HA GLY 15 9.939 -1.368 2.003
131 H GLY 16 H GLY 16 9.575 -2.550 0.206
132 HA2 GLY 16 2HA GLY 16 8.592 -3.130 -1.788
133 HA3 GLY 16 3HA GLY 16 7.153 -3.404 -0.817
Start of MODEL 19
1 H1 VAL 1 H VAL 1 0.398 -0.019 0.026
2 HA VAL 1 HA VAL 1 0.505 -1.755 -2.151
3 HB VAL 1 HB VAL 1 1.750 0.063 -3.321
4 HG11 VAL 1 1HG1 VAL 1 -0.781 -0.038 -2.961
5 HG12 VAL 1 2HG1 VAL 1 -0.533 1.234 -1.763
6 HG13 VAL 1 3HG1 VAL 1 -0.088 1.508 -3.448
7 HG21 VAL 1 3HG2 VAL 1 1.418 1.958 -1.115
8 HG22 VAL 1 1HG2 VAL 1 2.655 0.733 -0.835
9 HG23 VAL 1 2HG2 VAL 1 2.747 1.769 -2.259
10 H ALA 2 H ALA 2 2.049 -2.856 -0.013
11 HA ALA 2 HA ALA 2 4.827 -2.661 -0.858
12 HB1 ALA 2 1HB ALA 2 4.019 -4.647 1.181
13 HB2 ALA 2 2HB ALA 2 5.392 -3.540 1.153
14 HB3 ALA 2 3HB ALA 2 3.789 -2.946 1.587
15 H ARG 3 H ARG 3 3.473 -3.606 -2.952
16 HA ARG 3 HA ARG 3 3.080 -6.391 -3.066
17 HB2 ARG 3 2HB ARG 3 2.120 -4.912 -4.734
18 HB3 ARG 3 3HB ARG 3 3.722 -4.416 -5.261
19 HG2 ARG 3 2HG ARG 3 3.414 -7.285 -5.387
20 HG3 ARG 3 3HG ARG 3 2.170 -6.452 -6.322
21 HD2 ARG 3 2HD ARG 3 4.290 -5.035 -7.102
22 HD3 ARG 3 3HD ARG 3 5.105 -6.549 -6.715
23 HE ARG 3 HE ARG 3 4.142 -7.501 -8.562
24 HH11 ARG 3 1HH1 ARG 3 2.499 -4.522 -7.819
25 HH12 ARG 3 2HH1 ARG 3 1.557 -4.527 -9.274
26 HH21 ARG 3 1HH2 ARG 3 2.907 -7.519 -10.480
27 HH22 ARG 3 2HH2 ARG 3 1.790 -6.233 -10.785
28 H GLY 4 H GLY 4 5.924 -4.575 -2.850
29 HA2 GLY 4 2HA GLY 4 7.748 -5.973 -4.415
30 HA3 GLY 4 3HA GLY 4 8.141 -5.166 -2.904
31 H TRP 5 H TRP 5 6.056 -7.036 -1.627
32 HA TRP 5 HA TRP 5 7.969 -9.055 -0.877
33 HB2 TRP 5 2HB TRP 5 6.447 -9.659 0.831
34 HB3 TRP 5 3HB TRP 5 6.308 -7.909 0.685
35 HD1 TRP 5 HD1 TRP 5 4.303 -7.764 -1.771
36 HE1 TRP 5 HE1 TRP 5 1.851 -8.477 -1.453
37 HE3 TRP 5 HE3 TRP 5 4.844 -10.708 2.374
38 HZ2 TRP 5 HZ2 TRP 5 0.344 -10.075 0.320
39 HZ3 TRP 5 HZ3 TRP 5 2.848 -11.792 3.319
40 HH2 TRP 5 HH2 TRP 5 0.645 -11.480 2.312
41 H LYS 6 H LYS 6 5.480 -8.767 -3.187
42 HA LYS 6 HA LYS 6 4.833 -11.563 -3.355
43 HB2 LYS 6 2HB LYS 6 4.262 -9.255 -5.221
44 HB3 LYS 6 3HB LYS 6 3.641 -10.886 -5.443
45 HG2 LYS 6 2HG LYS 6 2.997 -8.942 -3.247
46 HG3 LYS 6 3HG LYS 6 1.907 -9.635 -4.451
47 HD2 LYS 6 2HD LYS 6 2.660 -11.903 -3.365
48 HD3 LYS 6 3HD LYS 6 3.061 -10.871 -1.991
49 HE2 LYS 6 2HE LYS 6 0.783 -10.037 -1.923
50 HE3 LYS 6 3HE LYS 6 0.371 -10.984 -3.351
51 HZ1 LYS 6 3HZ LYS 6 -0.244 -11.921 -1.076
52 HZ2 LYS 6 1HZ LYS 6 1.401 -12.280 -0.906
53 HZ3 LYS 6 2HZ LYS 6 0.513 -12.965 -2.172
54 H ARG 7 H ARG 7 7.385 -9.621 -4.442
55 HA ARG 7 HA ARG 7 7.994 -11.132 -6.818
56 HB2 ARG 7 2HB ARG 7 9.035 -8.756 -5.463
57 HB3 ARG 7 3HB ARG 7 10.297 -9.769 -6.151
58 HG2 ARG 7 2HG ARG 7 9.721 -9.280 -8.271
59 HG3 ARG 7 3HG ARG 7 7.995 -9.231 -7.905
60 HD2 ARG 7 2HD ARG 7 8.020 -7.019 -7.471
61 HD3 ARG 7 3HD ARG 7 9.597 -7.088 -6.687
62 HE ARG 7 HE ARG 7 9.064 -6.413 -9.406
63 HH11 ARG 7 1HH1 ARG 7 11.401 -7.892 -7.292
64 HH12 ARG 7 2HH1 ARG 7 12.749 -7.543 -8.323
65 HH21 ARG 7 1HH2 ARG 7 10.830 -5.948 -10.772
66 HH22 ARG 7 2HH2 ARG 7 12.423 -6.436 -10.302
67 H LYS 8 H LYS 8 10.358 -10.457 -4.298
68 HA LYS 8 HA LYS 8 11.117 -13.293 -4.343
69 HB2 LYS 8 2HB LYS 8 13.144 -12.090 -3.011
70 HB3 LYS 8 3HB LYS 8 13.108 -12.304 -4.756
71 HG2 LYS 8 2HG LYS 8 12.490 -10.083 -5.134
72 HG3 LYS 8 3HG LYS 8 11.988 -9.845 -3.459
73 HD2 LYS 8 2HD LYS 8 14.018 -9.100 -2.949
74 HD3 LYS 8 3HD LYS 8 14.722 -10.633 -3.469
75 HE2 LYS 8 2HE LYS 8 14.736 -9.778 -5.796
76 HE3 LYS 8 3HE LYS 8 14.153 -8.227 -5.196
77 HZ1 LYS 8 3HZ LYS 8 16.801 -9.253 -5.232
78 HZ2 LYS 8 1HZ LYS 8 16.350 -8.826 -3.658
79 HZ3 LYS 8 2HZ LYS 8 16.267 -7.682 -4.901
80 H CYS 9 H CYS 9 11.693 -10.847 -1.849
81 HA CYS 9 HA CYS 9 11.420 -12.551 0.313
82 HB2 CYS 9 2HB CYS 9 11.292 -9.600 -0.050
83 HB3 CYS 9 3HB CYS 9 10.717 -10.253 1.479
84 HG CYS 9 HG CYS 9 13.024 -10.790 2.528
85 HA PRO 10 HA PRO 10 6.995 -13.264 -0.008
86 HB2 PRO 10 2HB PRO 10 6.947 -15.241 1.853
87 HB3 PRO 10 3HB PRO 10 7.470 -15.504 0.185
88 HG2 PRO 10 2HG PRO 10 9.124 -15.076 2.643
89 HG3 PRO 10 3HG PRO 10 9.361 -16.236 1.323
90 HD2 PRO 10 2HD PRO 10 10.752 -13.919 1.494
91 HD3 PRO 10 3HD PRO 10 10.315 -14.658 -0.060
92 H LEU 11 H LEU 11 8.903 -12.172 2.610
93 HA LEU 11 HA LEU 11 6.472 -11.440 4.106
94 HB2 LEU 11 2HB LEU 11 8.180 -11.310 6.069
95 HB3 LEU 11 3HB LEU 11 7.489 -12.858 5.587
96 HG LEU 11 HG LEU 11 9.993 -12.254 4.220
97 HD11 LEU 11 1HD1 LEU 11 11.366 -12.753 6.263
98 HD12 LEU 11 2HD1 LEU 11 9.932 -12.396 7.225
99 HD13 LEU 11 3HD1 LEU 11 10.647 -11.143 6.212
100 HD21 LEU 11 3HD2 LEU 11 8.629 -14.444 4.473
101 HD22 LEU 11 1HD2 LEU 11 9.445 -14.570 6.032
102 HD23 LEU 11 2HD2 LEU 11 10.390 -14.512 4.544
103 H PHE 12 H PHE 12 7.974 -10.016 1.964
104 HA PHE 12 HA PHE 12 9.304 -7.820 3.260
105 HB2 PHE 12 2HB PHE 12 9.330 -8.867 0.703
106 HB3 PHE 12 3HB PHE 12 8.441 -7.360 0.505
107 HD1 PHE 12 HD1 PHE 12 11.382 -8.383 2.563
108 HD2 PHE 12 HD2 PHE 12 9.785 -5.711 -0.340
109 HE1 PHE 12 HE1 PHE 12 13.506 -7.140 2.544
110 HE2 PHE 12 HE2 PHE 12 11.906 -4.465 -0.364
111 HZ PHE 12 HZ PHE 12 13.770 -5.179 1.078
112 H GLY 13 H GLY 13 6.191 -8.623 3.268
113 HA2 GLY 13 2HA GLY 13 4.656 -6.548 2.347
114 HA3 GLY 13 3HA GLY 13 4.299 -7.436 3.822
115 H LYS 14 H LYS 14 6.792 -6.539 5.114
116 HA LYS 14 HA LYS 14 5.784 -4.228 6.381
117 HB2 LYS 14 2HB LYS 14 7.221 -5.647 7.637
118 HB3 LYS 14 3HB LYS 14 8.487 -5.562 6.420
119 HG2 LYS 14 2HG LYS 14 7.813 -2.939 7.424
120 HG3 LYS 14 3HG LYS 14 8.282 -4.036 8.725
121 HD2 LYS 14 2HD LYS 14 10.426 -4.079 8.066
122 HD3 LYS 14 3HD LYS 14 9.993 -4.214 6.360
123 HE2 LYS 14 2HE LYS 14 10.135 -1.991 6.020
124 HE3 LYS 14 3HE LYS 14 9.430 -1.603 7.588
125 HZ1 LYS 14 3HZ LYS 14 11.777 -0.916 7.351
126 HZ2 LYS 14 1HZ LYS 14 12.219 -2.543 7.204
127 HZ3 LYS 14 2HZ LYS 14 11.526 -1.982 8.641
128 H GLY 15 H GLY 15 8.255 -4.701 3.893
129 HA2 GLY 15 2HA GLY 15 8.760 -1.831 3.763
130 HA3 GLY 15 3HA GLY 15 9.608 -3.080 2.864
131 H GLY 16 H GLY 16 8.888 -3.683 0.854
132 HA2 GLY 16 2HA GLY 16 6.745 -3.714 -0.553
133 HA3 GLY 16 3HA GLY 16 6.746 -1.983 -0.248
Start of MODEL 20
1 H1 VAL 1 H VAL 1 2.553 1.607 -1.445
2 HA VAL 1 HA VAL 1 1.161 -0.436 -0.609
3 HB VAL 1 HB VAL 1 0.610 -1.965 -2.454
4 HG11 VAL 1 1HG1 VAL 1 -1.445 -1.038 -2.891
5 HG12 VAL 1 2HG1 VAL 1 -0.936 -0.069 -1.507
6 HG13 VAL 1 3HG1 VAL 1 -0.785 0.578 -3.141
7 HG21 VAL 1 3HG2 VAL 1 0.496 -0.247 -4.669
8 HG22 VAL 1 1HG2 VAL 1 2.107 -0.050 -3.980
9 HG23 VAL 1 2HG2 VAL 1 1.540 -1.652 -4.449
10 H ALA 2 H ALA 2 2.455 -2.113 -0.058
11 HA ALA 2 HA ALA 2 5.179 -2.075 -1.122
12 HB1 ALA 2 1HB ALA 2 5.373 -2.042 1.157
13 HB2 ALA 2 2HB ALA 2 3.933 -3.030 1.406
14 HB3 ALA 2 3HB ALA 2 5.434 -3.781 0.865
15 H ARG 3 H ARG 3 3.695 -3.062 -3.046
16 HA ARG 3 HA ARG 3 3.053 -5.799 -2.945
17 HB2 ARG 3 2HB ARG 3 2.148 -4.383 -4.683
18 HB3 ARG 3 3HB ARG 3 3.761 -4.027 -5.286
19 HG2 ARG 3 2HG ARG 3 3.250 -6.873 -5.226
20 HG3 ARG 3 3HG ARG 3 2.050 -6.005 -6.186
21 HD2 ARG 3 2HD ARG 3 3.593 -5.290 -7.719
22 HD3 ARG 3 3HD ARG 3 4.918 -5.316 -6.557
23 HE ARG 3 HE ARG 3 5.381 -7.441 -7.230
24 HH11 ARG 3 1HH1 ARG 3 2.077 -6.717 -8.054
25 HH12 ARG 3 2HH1 ARG 3 1.820 -8.212 -8.890
26 HH21 ARG 3 1HH2 ARG 3 5.056 -9.414 -8.329
27 HH22 ARG 3 2HH2 ARG 3 3.515 -9.746 -9.045
28 H GLY 4 H GLY 4 6.055 -4.240 -2.972
29 HA2 GLY 4 2HA GLY 4 7.677 -5.911 -4.492
30 HA3 GLY 4 3HA GLY 4 8.206 -5.037 -3.062
31 H TRP 5 H TRP 5 6.027 -6.603 -1.561
32 HA TRP 5 HA TRP 5 7.777 -8.703 -0.690
33 HB2 TRP 5 2HB TRP 5 6.191 -9.103 1.035
34 HB3 TRP 5 3HB TRP 5 6.218 -7.358 0.794
35 HD1 TRP 5 HD1 TRP 5 4.246 -7.160 -1.685
36 HE1 TRP 5 HE1 TRP 5 1.736 -7.618 -1.351
37 HE3 TRP 5 HE3 TRP 5 4.489 -9.907 2.619
38 HZ2 TRP 5 HZ2 TRP 5 0.078 -8.965 0.494
39 HZ3 TRP 5 HZ3 TRP 5 2.395 -10.743 3.605
40 HH2 TRP 5 HH2 TRP 5 0.236 -10.280 2.563
41 H LYS 6 H LYS 6 5.420 -8.428 -3.097
42 HA LYS 6 HA LYS 6 4.631 -11.220 -3.053
43 HB2 LYS 6 2HB LYS 6 4.014 -9.022 -5.037
44 HB3 LYS 6 3HB LYS 6 3.309 -10.633 -5.056
45 HG2 LYS 6 2HG LYS 6 2.899 -8.444 -3.047
46 HG3 LYS 6 3HG LYS 6 1.699 -9.245 -4.064
47 HD2 LYS 6 2HD LYS 6 3.246 -10.528 -1.812
48 HD3 LYS 6 3HD LYS 6 1.561 -10.007 -1.741
49 HE2 LYS 6 2HE LYS 6 0.903 -11.945 -2.602
50 HE3 LYS 6 3HE LYS 6 1.911 -11.678 -4.024
51 HZ1 LYS 6 3HZ LYS 6 3.398 -13.149 -3.308
52 HZ2 LYS 6 1HZ LYS 6 2.247 -13.644 -2.172
53 HZ3 LYS 6 2HZ LYS 6 3.425 -12.509 -1.742
54 H ARG 7 H ARG 7 7.163 -9.371 -4.319
55 HA ARG 7 HA ARG 7 7.636 -10.948 -6.678
56 HB2 ARG 7 2HB ARG 7 9.418 -8.974 -5.238
57 HB3 ARG 7 3HB ARG 7 9.753 -9.680 -6.813
58 HG2 ARG 7 2HG ARG 7 7.759 -8.610 -7.724
59 HG3 ARG 7 3HG ARG 7 7.410 -7.911 -6.142
60 HD2 ARG 7 2HD ARG 7 8.475 -6.194 -7.326
61 HD3 ARG 7 3HD ARG 7 9.730 -6.862 -6.284
62 HE ARG 7 HE ARG 7 9.880 -8.201 -8.712
63 HH11 ARG 7 1HH1 ARG 7 10.284 -4.962 -7.502
64 HH12 ARG 7 2HH1 ARG 7 11.446 -4.517 -8.708
65 HH21 ARG 7 1HH2 ARG 7 11.408 -7.627 -10.305
66 HH22 ARG 7 2HH2 ARG 7 12.084 -6.033 -10.302
67 H LYS 8 H LYS 8 10.049 -10.325 -4.173
68 HA LYS 8 HA LYS 8 10.782 -13.166 -4.272
69 HB2 LYS 8 2HB LYS 8 12.803 -12.011 -2.890
70 HB3 LYS 8 3HB LYS 8 12.783 -12.180 -4.640
71 HG2 LYS 8 2HG LYS 8 12.183 -9.946 -4.967
72 HG3 LYS 8 3HG LYS 8 11.668 -9.748 -3.290
73 HD2 LYS 8 2HD LYS 8 13.721 -8.662 -3.333
74 HD3 LYS 8 3HD LYS 8 14.139 -10.264 -2.719
75 HE2 LYS 8 2HE LYS 8 14.968 -10.948 -4.841
76 HE3 LYS 8 3HE LYS 8 14.306 -9.518 -5.632
77 HZ1 LYS 8 3HZ LYS 8 15.851 -8.261 -4.018
78 HZ2 LYS 8 1HZ LYS 8 16.521 -8.990 -5.390
79 HZ3 LYS 8 2HZ LYS 8 16.662 -9.739 -3.881
80 H CYS 9 H CYS 9 11.354 -10.789 -1.711
81 HA CYS 9 HA CYS 9 10.911 -12.626 0.368
82 HB2 CYS 9 2HB CYS 9 11.117 -9.635 0.236
83 HB3 CYS 9 3HB CYS 9 10.667 -10.421 1.745
84 HG CYS 9 HG CYS 9 13.211 -12.097 0.891
85 HA PRO 10 HA PRO 10 6.438 -12.635 0.083
86 HB2 PRO 10 2HB PRO 10 6.085 -14.591 1.932
87 HB3 PRO 10 3HB PRO 10 6.566 -14.922 0.264
88 HG2 PRO 10 2HG PRO 10 8.260 -14.763 2.728
89 HG3 PRO 10 3HG PRO 10 8.322 -15.938 1.401
90 HD2 PRO 10 2HD PRO 10 10.048 -13.860 1.588
91 HD3 PRO 10 3HD PRO 10 9.508 -14.516 0.029
92 H LEU 11 H LEU 11 8.484 -11.792 2.668
93 HA LEU 11 HA LEU 11 6.185 -10.772 4.204
94 HB2 LEU 11 2HB LEU 11 7.909 -10.824 6.138
95 HB3 LEU 11 3HB LEU 11 7.086 -12.306 5.658
96 HG LEU 11 HG LEU 11 9.591 -11.966 4.241
97 HD11 LEU 11 1HD1 LEU 11 9.634 -11.933 7.249
98 HD12 LEU 11 2HD1 LEU 11 10.404 -10.799 6.139
99 HD13 LEU 11 3HD1 LEU 11 10.999 -12.455 6.262
100 HD21 LEU 11 3HD2 LEU 11 8.827 -14.113 6.197
101 HD22 LEU 11 1HD2 LEU 11 9.872 -14.231 4.782
102 HD23 LEU 11 2HD2 LEU 11 8.132 -14.030 4.578
103 H PHE 12 H PHE 12 7.806 -9.552 2.014
104 HA PHE 12 HA PHE 12 9.379 -7.495 3.274
105 HB2 PHE 12 2HB PHE 12 9.490 -8.584 0.823
106 HB3 PHE 12 3HB PHE 12 8.486 -7.185 0.458
107 HD1 PHE 12 HD2 PHE 12 11.527 -7.860 2.521
108 HD2 PHE 12 HD1 PHE 12 9.636 -5.407 -0.398
109 HE1 PHE 12 HE2 PHE 12 13.540 -6.452 2.406
110 HE2 PHE 12 HE1 PHE 12 11.647 -3.995 -0.519
111 HZ PHE 12 HZ PHE 12 13.603 -4.516 0.885
112 H GLY 13 H GLY 13 6.235 -7.934 3.405
113 HA2 GLY 13 2HA GLY 13 4.890 -5.759 2.400
114 HA3 GLY 13 3HA GLY 13 4.488 -6.531 3.926
115 H LYS 14 H LYS 14 7.114 -5.835 5.091
116 HA LYS 14 HA LYS 14 6.390 -3.393 6.293
117 HB2 LYS 14 2HB LYS 14 8.631 -3.467 7.323
118 HB3 LYS 14 3HB LYS 14 7.793 -5.008 7.446
119 HG2 LYS 14 2HG LYS 14 9.154 -5.389 5.153
120 HG3 LYS 14 3HG LYS 14 10.254 -4.298 6.000
121 HD2 LYS 14 2HD LYS 14 9.639 -6.012 7.994
122 HD3 LYS 14 3HD LYS 14 9.508 -7.088 6.600
123 HE2 LYS 14 2HE LYS 14 11.719 -7.257 6.519
124 HE3 LYS 14 3HE LYS 14 11.849 -5.516 6.279
125 HZ1 LYS 14 3HZ LYS 14 11.364 -5.794 8.950
126 HZ2 LYS 14 1HZ LYS 14 12.867 -5.484 8.239
127 HZ3 LYS 14 2HZ LYS 14 12.418 -7.072 8.607
128 H GLY 15 H GLY 15 8.575 -4.179 3.641
129 HA2 GLY 15 2HA GLY 15 9.315 -1.357 3.371
130 HA3 GLY 15 3HA GLY 15 10.058 -2.706 2.525
131 H GLY 16 H GLY 16 9.131 -3.488 0.627
132 HA2 GLY 16 2HA GLY 16 6.955 -3.409 -0.702
133 HA3 GLY 16 3HA GLY 16 7.131 -1.667 -0.550