Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
546119 | 2ls1 RC | 18405 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 -0.207 1.127 -4.405
2 HA CYS 1 HA CYS 1 -2.156 3.171 -3.618
3 HB2 CYS 1 2HB CYS 1 -0.988 2.740 -6.444
4 HB3 CYS 1 1HB CYS 1 -2.483 3.681 -6.116
5 H VAL 2 H VAL 2 -2.838 0.853 -2.775
6 HA VAL 2 HA VAL 2 -4.882 0.100 -4.713
7 HB VAL 2 HB VAL 2 -4.895 -2.260 -3.829
8 HG11 VAL 2 1HG1 VAL 2 -3.956 -1.679 -6.066
9 HG12 VAL 2 2HG1 VAL 2 -3.076 -3.051 -5.298
10 HG13 VAL 2 3HG1 VAL 2 -2.332 -1.413 -5.323
11 HG21 VAL 2 3HG2 VAL 2 -2.819 -3.121 -2.737
12 HG22 VAL 2 1HG2 VAL 2 -3.554 -1.834 -1.718
13 HG23 VAL 2 2HG2 VAL 2 -2.110 -1.476 -2.743
14 H TRP 3 H TRP 3 -6.424 -1.438 -2.875
15 HA TRP 3 HA TRP 3 -6.410 0.120 -0.426
16 HB2 TRP 3 2HB TRP 3 -8.082 1.212 -2.026
17 HB3 TRP 3 1HB TRP 3 -8.995 -0.334 -2.028
18 HD1 TRP 3 HD TRP 3 -10.816 -0.428 -0.057
19 HE1 TRP 3 1HE TRP 3 -11.238 0.878 2.120
20 HE3 TRP 3 3HE TRP 3 -6.627 2.483 -0.109
21 HZ2 TRP 3 2HZ TRP 3 -9.895 2.888 3.658
22 HZ3 TRP 3 3HZ TRP 3 -6.220 4.050 1.754
23 HH2 TRP 3 HH TRP 3 -7.831 4.253 3.613
24 H GLY 4 H GLY 4 -7.106 -1.064 1.337
25 HA2 GLY 4 2HA GLY 4 -7.775 -2.817 2.504
26 HA3 GLY 4 1HA GLY 4 -8.169 -3.715 0.984
27 H GLY 5 H GLY 5 -5.250 -2.241 2.568
28 HA2 GLY 5 2HA GLY 5 -3.850 -4.790 2.250
29 HA3 GLY 5 1HA GLY 5 -3.197 -3.227 1.603
30 H ASP 6 H ASP 6 -1.624 -4.542 3.309
31 HA ASP 6 HA ASP 6 -2.253 -3.930 6.052
32 HB2 ASP 6 2HB ASP 6 0.190 -5.321 4.767
33 HB3 ASP 6 1HB ASP 6 -0.170 -5.249 6.534
34 H CYS 7 H CYS 7 0.014 -2.908 3.461
35 HA CYS 7 HA CYS 7 1.341 -1.115 5.381
36 HB2 CYS 7 2HB CYS 7 3.397 -1.318 3.994
37 HB3 CYS 7 1HB CYS 7 2.908 -2.816 4.815
38 H THR 8 H THR 8 2.705 -0.040 2.765
39 HA THR 8 HA THR 8 0.485 1.641 1.866
40 HB THR 8 HB THR 8 3.145 2.667 3.009
41 HG1 THR 8 1HG THR 8 1.849 1.985 4.645
42 HG21 THR 8 3HG2 THR 8 2.007 4.919 2.835
43 HG22 THR 8 1HG2 THR 8 0.589 4.143 2.040
44 HG23 THR 8 2HG2 THR 8 2.197 4.160 1.225
45 H ASP 9 H ASP 9 0.838 2.403 -0.323
46 HA ASP 9 HA ASP 9 3.304 1.464 -1.582
47 HB2 ASP 9 2HB ASP 9 2.354 2.408 -3.744
48 HB3 ASP 9 1HB ASP 9 1.642 0.909 -3.087
49 H PHE 10 H PHE 10 1.725 4.441 -2.513
50 HA PHE 10 HA PHE 10 3.847 6.070 -1.318
51 HB2 PHE 10 2HB PHE 10 1.586 6.675 -3.345
52 HB3 PHE 10 1HB PHE 10 2.635 7.951 -2.625
53 HD1 PHE 10 2HD PHE 10 5.077 7.960 -3.111
54 HD2 PHE 10 1HD PHE 10 2.436 5.166 -5.034
55 HE1 PHE 10 2HE PHE 10 6.807 7.497 -4.819
56 HE2 PHE 10 1HE PHE 10 4.165 4.708 -6.743
57 HZ PHE 10 HZ PHE 10 6.355 5.871 -6.638
58 H LEU 11 H LEU 11 3.232 7.728 0.190
59 HA LEU 11 HA LEU 11 0.931 6.965 1.744
60 HB2 LEU 11 2HB LEU 11 3.140 7.495 2.824
61 HB3 LEU 11 1HB LEU 11 3.018 9.170 2.204
62 HG LEU 11 HG LEU 11 0.922 9.497 3.572
63 HD11 LEU 11 1HD1 LEU 11 0.102 7.155 3.769
64 HD12 LEU 11 2HD1 LEU 11 0.365 7.870 5.397
65 HD13 LEU 11 3HD1 LEU 11 1.564 6.704 4.724
66 HD21 LEU 11 3HD2 LEU 11 3.385 8.589 5.187
67 HD22 LEU 11 1HD2 LEU 11 2.061 9.666 5.770
68 HD23 LEU 11 2HD2 LEU 11 3.141 10.209 4.431
69 H GLY 12 H GLY 12 -1.023 7.929 1.612
70 HA2 GLY 12 2HA GLY 12 -2.375 9.793 1.481
71 HA3 GLY 12 1HA GLY 12 -1.239 10.558 0.305
72 H CYS 13 H CYS 13 -0.901 7.733 -0.913
73 HA CYS 13 HA CYS 13 -2.985 8.071 -2.862
74 HB2 CYS 13 2HB CYS 13 -0.542 7.627 -3.417
75 HB3 CYS 13 1HB CYS 13 -0.723 5.979 -2.752
76 H GLY 14 H GLY 14 -1.645 5.186 -1.085
77 HA2 GLY 14 2HA GLY 14 -4.101 4.458 0.029
78 HA3 GLY 14 1HA GLY 14 -3.817 3.571 -1.534
79 H THR 15 H THR 15 -3.777 1.568 0.062
80 HA THR 15 HA THR 15 -1.502 1.360 1.661
81 HB THR 15 HB THR 15 -2.628 -0.878 2.006
82 HG1 THR 15 1HG THR 15 -4.585 -1.208 1.170
83 HG21 THR 15 3HG2 THR 15 -4.505 0.062 3.332
84 HG22 THR 15 1HG2 THR 15 -4.417 1.611 2.417
85 HG23 THR 15 2HG2 THR 15 -3.054 1.117 3.490
86 H ALA 16 H ALA 16 -0.615 -1.131 1.356
87 HA ALA 16 HA ALA 16 -0.598 -1.971 -1.400
88 HB1 ALA 16 1HB ALA 16 1.563 -0.747 -1.380
89 HB2 ALA 16 2HB ALA 16 1.879 -2.517 -1.348
90 HB3 ALA 16 3HB ALA 16 2.014 -1.538 0.166
91 H TRP 17 H TRP 17 0.176 -4.286 -1.441
92 HA TRP 17 HA TRP 17 -1.076 -5.557 0.852
93 HB2 TRP 17 2HB TRP 17 -0.250 -6.634 -1.906
94 HB3 TRP 17 1HB TRP 17 -1.083 -7.586 -0.623
95 HD1 TRP 17 HD TRP 17 -3.337 -5.442 0.227
96 HE1 TRP 17 1HE TRP 17 -5.220 -4.821 -1.379
97 HE3 TRP 17 3HE TRP 17 -1.089 -6.902 -4.108
98 HZ2 TRP 17 2HZ TRP 17 -5.717 -4.996 -4.204
99 HZ3 TRP 17 3HZ TRP 17 -2.311 -6.647 -6.240
100 HH2 TRP 17 HH TRP 17 -4.592 -5.709 -6.290
101 H ILE 18 H ILE 18 1.705 -6.549 -1.251
102 HA ILE 18 HA ILE 18 3.083 -7.470 1.149
103 HB ILE 18 HB ILE 18 3.870 -7.848 -1.783
104 HG12 ILE 18 2HG1 ILE 18 3.252 -10.348 -0.957
105 HG13 ILE 18 1HG1 ILE 18 2.082 -9.470 0.077
106 HG21 ILE 18 1HG2 ILE 18 5.807 -7.946 -0.214
107 HG22 ILE 18 2HG2 ILE 18 5.396 -9.595 -0.789
108 HG23 ILE 18 3HG2 ILE 18 4.902 -9.076 0.865
109 HD11 ILE 18 3HD1 ILE 18 1.067 -10.213 -2.095
110 HD12 ILE 18 1HD1 ILE 18 2.324 -9.304 -3.013
111 HD13 ILE 18 2HD1 ILE 18 1.104 -8.415 -2.034
112 H CYS 19 H CYS 19 4.701 -6.272 2.029
113 HA CYS 19 HA CYS 19 6.171 -4.415 0.299
114 HB2 CYS 19 2HB CYS 19 5.339 -3.921 3.229
115 HB3 CYS 19 1HB CYS 19 6.567 -2.959 2.338
116 H VAL 20 H VAL 20 8.400 -4.087 1.214
117 HA VAL 20 HA VAL 20 9.447 -6.628 2.013
118 HB VAL 20 HB VAL 20 10.579 -5.406 0.286
119 HG11 VAL 20 1HG1 VAL 20 11.136 -3.195 2.374
120 HG12 VAL 20 2HG1 VAL 20 10.002 -3.061 0.975
121 HG13 VAL 20 3HG1 VAL 20 11.763 -3.280 0.694
122 HG21 VAL 20 3HG2 VAL 20 11.844 -6.941 1.809
123 HG22 VAL 20 1HG2 VAL 20 12.257 -5.549 2.881
124 HG23 VAL 20 2HG2 VAL 20 12.872 -5.595 1.191
Start of MODEL 2
1 H1 CYS 1 H CYS 1 -0.530 1.187 -4.352
2 HA CYS 1 HA CYS 1 -2.363 2.882 -2.950
3 HB2 CYS 1 2HB CYS 1 -1.123 4.393 -4.677
4 HB3 CYS 1 1HB CYS 1 -1.991 3.492 -5.950
5 H VAL 2 H VAL 2 -2.973 0.632 -2.565
6 HA VAL 2 HA VAL 2 -5.013 -0.067 -4.556
7 HB VAL 2 HB VAL 2 -4.861 -2.458 -3.812
8 HG11 VAL 2 1HG1 VAL 2 -2.912 -3.020 -5.219
9 HG12 VAL 2 2HG1 VAL 2 -2.297 -1.331 -5.111
10 HG13 VAL 2 3HG1 VAL 2 -3.853 -1.674 -5.958
11 HG21 VAL 2 3HG2 VAL 2 -2.232 -1.495 -2.496
12 HG22 VAL 2 1HG2 VAL 2 -2.747 -3.201 -2.671
13 HG23 VAL 2 2HG2 VAL 2 -3.688 -2.092 -1.610
14 H TRP 3 H TRP 3 -6.547 -1.708 -3.008
15 HA TRP 3 HA TRP 3 -6.991 -0.201 -0.518
16 HB2 TRP 3 2HB TRP 3 -8.813 0.235 -2.183
17 HB3 TRP 3 1HB TRP 3 -9.065 -1.531 -2.368
18 HD1 TRP 3 HD TRP 3 -9.246 1.145 0.559
19 HE1 TRP 3 1HE TRP 3 -11.134 0.441 2.149
20 HE3 TRP 3 3HE TRP 3 -10.523 -3.240 -1.705
21 HZ2 TRP 3 2HZ TRP 3 -12.926 -1.773 2.431
22 HZ3 TRP 3 3HZ TRP 3 -12.303 -4.636 -0.712
23 HH2 TRP 3 HH TRP 3 -13.492 -3.913 1.325
24 H GLY 4 H GLY 4 -7.194 -1.443 1.298
25 HA2 GLY 4 2HA GLY 4 -7.485 -3.180 2.591
26 HA3 GLY 4 1HA GLY 4 -7.860 -4.201 1.148
27 H GLY 5 H GLY 5 -5.031 -2.381 2.514
28 HA2 GLY 5 2HA GLY 5 -3.396 -4.803 2.226
29 HA3 GLY 5 1HA GLY 5 -2.902 -3.181 1.588
30 H ASP 6 H ASP 6 -1.239 -4.357 3.392
31 HA ASP 6 HA ASP 6 -2.017 -3.602 6.071
32 HB2 ASP 6 2HB ASP 6 -0.973 -5.854 5.555
33 HB3 ASP 6 1HB ASP 6 0.516 -5.016 5.015
34 H CYS 7 H CYS 7 0.366 -2.737 3.498
35 HA CYS 7 HA CYS 7 1.600 -0.825 5.361
36 HB2 CYS 7 2HB CYS 7 3.637 -0.972 3.916
37 HB3 CYS 7 1HB CYS 7 3.209 -2.455 4.792
38 H THR 8 H THR 8 2.867 0.129 2.566
39 HA THR 8 HA THR 8 0.666 1.882 1.783
40 HB THR 8 HB THR 8 3.409 2.840 2.789
41 HG1 THR 8 1HG THR 8 2.315 3.662 4.482
42 HG21 THR 8 3HG2 THR 8 2.464 4.317 0.990
43 HG22 THR 8 1HG2 THR 8 2.355 5.132 2.580
44 HG23 THR 8 2HG2 THR 8 0.883 4.391 1.853
45 H ASP 9 H ASP 9 0.911 2.534 -0.430
46 HA ASP 9 HA ASP 9 3.287 1.543 -1.810
47 HB2 ASP 9 2HB ASP 9 2.154 2.361 -3.937
48 HB3 ASP 9 1HB ASP 9 1.467 0.917 -3.133
49 H PHE 10 H PHE 10 1.631 4.447 -2.786
50 HA PHE 10 HA PHE 10 3.794 6.196 -1.928
51 HB2 PHE 10 2HB PHE 10 1.162 6.713 -3.489
52 HB3 PHE 10 1HB PHE 10 2.402 7.970 -3.131
53 HD1 PHE 10 2HD PHE 10 4.782 7.580 -4.035
54 HD2 PHE 10 1HD PHE 10 1.389 5.297 -5.363
55 HE1 PHE 10 2HE PHE 10 6.027 6.909 -6.067
56 HE2 PHE 10 1HE PHE 10 2.635 4.628 -7.394
57 HZ PHE 10 HZ PHE 10 4.957 5.431 -7.749
58 H LEU 11 H LEU 11 3.391 7.829 -0.336
59 HA LEU 11 HA LEU 11 1.347 7.082 1.537
60 HB2 LEU 11 2HB LEU 11 3.670 7.690 2.276
61 HB3 LEU 11 1HB LEU 11 3.422 9.342 1.634
62 HG LEU 11 HG LEU 11 1.538 9.674 3.280
63 HD11 LEU 11 1HD1 LEU 11 0.809 7.324 3.659
64 HD12 LEU 11 2HD1 LEU 11 1.283 8.098 5.211
65 HD13 LEU 11 3HD1 LEU 11 2.401 6.931 4.411
66 HD21 LEU 11 3HD2 LEU 11 2.980 9.932 5.285
67 HD22 LEU 11 1HD2 LEU 11 3.842 10.451 3.789
68 HD23 LEU 11 2HD2 LEU 11 4.229 8.859 4.546
69 H GLY 12 H GLY 12 -0.635 7.970 1.652
70 HA2 GLY 12 2HA GLY 12 -2.000 9.839 1.760
71 HA3 GLY 12 1HA GLY 12 -1.103 10.587 0.384
72 H CYS 13 H CYS 13 -0.936 7.859 -0.957
73 HA CYS 13 HA CYS 13 -3.385 8.200 -2.408
74 HB2 CYS 13 2HB CYS 13 -1.067 7.911 -3.432
75 HB3 CYS 13 1HB CYS 13 -1.132 6.186 -2.966
76 H GLY 14 H GLY 14 -1.671 5.247 -1.054
77 HA2 GLY 14 2HA GLY 14 -3.984 4.429 0.332
78 HA3 GLY 14 1HA GLY 14 -3.833 3.591 -1.270
79 H THR 15 H THR 15 -3.651 1.558 0.204
80 HA THR 15 HA THR 15 -1.303 1.313 1.694
81 HB THR 15 HB THR 15 -2.442 -0.922 2.073
82 HG1 THR 15 1HG THR 15 -3.651 -1.079 0.256
83 HG21 THR 15 3HG2 THR 15 -4.213 0.040 3.523
84 HG22 THR 15 1HG2 THR 15 -4.138 1.602 2.628
85 HG23 THR 15 2HG2 THR 15 -2.729 1.054 3.609
86 H ALA 16 H ALA 16 -0.491 -1.248 1.327
87 HA ALA 16 HA ALA 16 -0.473 -1.903 -1.490
88 HB1 ALA 16 1HB ALA 16 1.659 -0.658 -1.372
89 HB2 ALA 16 2HB ALA 16 1.992 -2.417 -1.508
90 HB3 ALA 16 3HB ALA 16 2.146 -1.581 0.085
91 H TRP 17 H TRP 17 0.003 -4.112 -1.848
92 HA TRP 17 HA TRP 17 -0.886 -5.747 0.371
93 HB2 TRP 17 2HB TRP 17 -0.364 -6.396 -2.599
94 HB3 TRP 17 1HB TRP 17 -1.033 -7.545 -1.390
95 HD1 TRP 17 HD TRP 17 -3.223 -5.454 -0.062
96 HE1 TRP 17 1HE TRP 17 -5.340 -4.945 -1.413
97 HE3 TRP 17 3HE TRP 17 -1.454 -6.653 -4.693
98 HZ2 TRP 17 2HZ TRP 17 -6.148 -5.004 -4.155
99 HZ3 TRP 17 3HZ TRP 17 -2.931 -6.377 -6.654
100 HH2 TRP 17 HH TRP 17 -5.246 -5.564 -6.391
101 H ILE 18 H ILE 18 1.822 -5.511 -2.012
102 HA ILE 18 HA ILE 18 3.361 -7.484 -0.585
103 HB ILE 18 HB ILE 18 4.195 -5.637 -2.873
104 HG12 ILE 18 2HG1 ILE 18 2.296 -6.973 -3.636
105 HG13 ILE 18 1HG1 ILE 18 3.819 -7.531 -4.385
106 HG21 ILE 18 1HG2 ILE 18 6.133 -6.534 -1.614
107 HG22 ILE 18 2HG2 ILE 18 5.998 -7.381 -3.192
108 HG23 ILE 18 3HG2 ILE 18 5.456 -8.202 -1.681
109 HD11 ILE 18 3HD1 ILE 18 2.339 -8.943 -2.062
110 HD12 ILE 18 1HD1 ILE 18 3.893 -9.492 -2.797
111 HD13 ILE 18 2HD1 ILE 18 2.388 -9.458 -3.783
112 H CYS 19 H CYS 19 4.512 -6.990 1.184
113 HA CYS 19 HA CYS 19 5.283 -4.185 1.640
114 HB2 CYS 19 2HB CYS 19 4.348 -6.275 3.700
115 HB3 CYS 19 1HB CYS 19 4.858 -4.592 4.068
116 H VAL 20 H VAL 20 7.096 -4.067 3.272
117 HA VAL 20 HA VAL 20 9.154 -5.903 2.435
118 HB VAL 20 HB VAL 20 9.365 -3.570 4.406
119 HG11 VAL 20 1HG1 VAL 20 11.200 -5.260 4.613
120 HG12 VAL 20 2HG1 VAL 20 11.807 -3.761 3.827
121 HG13 VAL 20 3HG1 VAL 20 11.457 -5.220 2.827
122 HG21 VAL 20 3HG2 VAL 20 10.295 -2.338 2.409
123 HG22 VAL 20 1HG2 VAL 20 8.560 -2.746 2.195
124 HG23 VAL 20 2HG2 VAL 20 9.825 -3.717 1.347
Start of MODEL 3
1 H1 CYS 1 H CYS 1 -0.227 1.124 -4.319
2 HA CYS 1 HA CYS 1 -2.174 3.182 -3.576
3 HB2 CYS 1 2HB CYS 1 -0.918 2.780 -6.368
4 HB3 CYS 1 1HB CYS 1 -2.416 3.726 -6.079
5 H VAL 2 H VAL 2 -2.787 0.776 -2.808
6 HA VAL 2 HA VAL 2 -4.851 0.077 -4.746
7 HB VAL 2 HB VAL 2 -4.783 -2.325 -3.958
8 HG11 VAL 2 1HG1 VAL 2 -3.944 -1.623 -6.199
9 HG12 VAL 2 2HG1 VAL 2 -2.997 -3.000 -5.523
10 HG13 VAL 2 3HG1 VAL 2 -2.302 -1.342 -5.504
11 HG21 VAL 2 3HG2 VAL 2 -1.975 -1.517 -2.941
12 HG22 VAL 2 1HG2 VAL 2 -2.656 -3.175 -2.971
13 HG23 VAL 2 2HG2 VAL 2 -3.376 -1.940 -1.878
14 H TRP 3 H TRP 3 -6.363 -1.545 -2.995
15 HA TRP 3 HA TRP 3 -6.340 -0.117 -0.465
16 HB2 TRP 3 2HB TRP 3 -8.026 1.018 -2.023
17 HB3 TRP 3 1HB TRP 3 -8.934 -0.530 -2.054
18 HD1 TRP 3 HD TRP 3 -10.697 -0.709 -0.032
19 HE1 TRP 3 1HE TRP 3 -11.068 0.520 2.200
20 HE3 TRP 3 3HE TRP 3 -6.556 2.266 -0.124
21 HZ2 TRP 3 2HZ TRP 3 -9.710 2.506 3.754
22 HZ3 TRP 3 3HZ TRP 3 -6.112 3.780 1.775
23 HH2 TRP 3 HH TRP 3 -7.668 3.902 3.687
24 H GLY 4 H GLY 4 -7.150 -1.348 1.245
25 HA2 GLY 4 2HA GLY 4 -7.854 -3.151 2.319
26 HA3 GLY 4 1HA GLY 4 -8.076 -4.035 0.757
27 H GLY 5 H GLY 5 -5.263 -2.333 2.261
28 HA2 GLY 5 2HA GLY 5 -3.723 -4.834 2.078
29 HA3 GLY 5 1HA GLY 5 -3.156 -3.201 1.552
30 H ASP 6 H ASP 6 -1.608 -4.558 3.269
31 HA ASP 6 HA ASP 6 -2.351 -4.001 6.007
32 HB2 ASP 6 2HB ASP 6 0.119 -5.397 4.784
33 HB3 ASP 6 1HB ASP 6 -0.287 -5.334 6.541
34 H CYS 7 H CYS 7 -0.018 -2.974 3.484
35 HA CYS 7 HA CYS 7 1.287 -1.209 5.445
36 HB2 CYS 7 2HB CYS 7 3.360 -1.392 4.086
37 HB3 CYS 7 1HB CYS 7 2.859 -2.907 4.868
38 H THR 8 H THR 8 2.692 -0.076 2.880
39 HA THR 8 HA THR 8 0.459 1.587 1.967
40 HB THR 8 HB THR 8 3.107 2.666 3.072
41 HG1 THR 8 1HG THR 8 1.952 3.319 4.797
42 HG21 THR 8 3HG2 THR 8 0.462 4.034 2.183
43 HG22 THR 8 1HG2 THR 8 2.052 4.148 1.339
44 HG23 THR 8 2HG2 THR 8 1.847 4.874 2.966
45 H ASP 9 H ASP 9 0.805 2.388 -0.215
46 HA ASP 9 HA ASP 9 3.275 1.471 -1.479
47 HB2 ASP 9 2HB ASP 9 2.334 2.393 -3.639
48 HB3 ASP 9 1HB ASP 9 1.611 0.900 -2.979
49 H PHE 10 H PHE 10 1.685 4.414 -2.427
50 HA PHE 10 HA PHE 10 3.912 6.044 -1.481
51 HB2 PHE 10 2HB PHE 10 1.553 6.494 -3.424
52 HB3 PHE 10 1HB PHE 10 2.589 7.850 -2.859
53 HD1 PHE 10 1HD PHE 10 2.454 4.754 -4.903
54 HD2 PHE 10 2HD PHE 10 4.943 7.981 -3.538
55 HE1 PHE 10 1HE PHE 10 4.130 4.192 -6.631
56 HE2 PHE 10 2HE PHE 10 6.622 7.415 -5.266
57 HZ PHE 10 HZ PHE 10 6.219 5.519 -6.815
58 H LEU 11 H LEU 11 3.359 8.095 -0.391
59 HA LEU 11 HA LEU 11 1.495 7.560 1.717
60 HB2 LEU 11 2HB LEU 11 3.229 10.043 1.193
61 HB3 LEU 11 1HB LEU 11 2.347 9.674 2.716
62 HG LEU 11 HG LEU 11 4.671 8.042 1.518
63 HD11 LEU 11 1HD1 LEU 11 4.638 9.966 3.926
64 HD12 LEU 11 2HD1 LEU 11 5.396 10.279 2.318
65 HD13 LEU 11 3HD1 LEU 11 6.034 8.966 3.376
66 HD21 LEU 11 3HD2 LEU 11 3.222 7.723 4.226
67 HD22 LEU 11 1HD2 LEU 11 4.731 6.867 3.735
68 HD23 LEU 11 2HD2 LEU 11 3.200 6.560 2.847
69 H GLY 12 H GLY 12 -0.583 8.214 1.757
70 HA2 GLY 12 2HA GLY 12 -2.270 9.662 1.619
71 HA3 GLY 12 1HA GLY 12 -1.342 10.705 0.479
72 H CYS 13 H CYS 13 -0.910 7.673 -0.725
73 HA CYS 13 HA CYS 13 -2.939 8.098 -2.742
74 HB2 CYS 13 2HB CYS 13 -0.503 7.630 -3.281
75 HB3 CYS 13 1HB CYS 13 -0.699 5.987 -2.612
76 H GLY 14 H GLY 14 -1.643 5.158 -1.052
77 HA2 GLY 14 2HA GLY 14 -4.110 4.480 0.107
78 HA3 GLY 14 1HA GLY 14 -3.842 3.586 -1.456
79 H THR 15 H THR 15 -3.817 1.590 0.176
80 HA THR 15 HA THR 15 -1.498 1.360 1.709
81 HB THR 15 HB THR 15 -2.636 -0.880 2.067
82 HG1 THR 15 1HG THR 15 -3.813 -1.040 0.243
83 HG21 THR 15 3HG2 THR 15 -4.343 1.640 2.606
84 HG22 THR 15 1HG2 THR 15 -2.944 1.098 3.604
85 HG23 THR 15 2HG2 THR 15 -4.426 0.080 3.501
86 H ALA 16 H ALA 16 -0.536 -1.049 1.381
87 HA ALA 16 HA ALA 16 -0.626 -1.919 -1.384
88 HB1 ALA 16 1HB ALA 16 1.577 -0.763 -1.341
89 HB2 ALA 16 2HB ALA 16 1.829 -2.541 -1.330
90 HB3 ALA 16 3HB ALA 16 1.993 -1.589 0.195
91 H TRP 17 H TRP 17 0.037 -4.268 -1.431
92 HA TRP 17 HA TRP 17 -1.344 -5.469 0.802
93 HB2 TRP 17 2HB TRP 17 -0.309 -6.641 -1.852
94 HB3 TRP 17 1HB TRP 17 -1.264 -7.540 -0.621
95 HD1 TRP 17 HD TRP 17 -3.546 -5.357 -0.014
96 HE1 TRP 17 1HE TRP 17 -5.293 -4.774 -1.775
97 HE3 TRP 17 3HE TRP 17 -0.966 -6.927 -4.116
98 HZ2 TRP 17 2HZ TRP 17 -5.560 -5.008 -4.628
99 HZ3 TRP 17 3HZ TRP 17 -2.008 -6.712 -6.347
100 HH2 TRP 17 HH TRP 17 -4.274 -5.767 -6.601
101 H ILE 18 H ILE 18 1.575 -6.551 -1.050
102 HA ILE 18 HA ILE 18 2.831 -7.246 1.504
103 HB ILE 18 HB ILE 18 4.518 -8.430 0.134
104 HG12 ILE 18 2HG1 ILE 18 2.583 -7.872 -2.215
105 HG13 ILE 18 1HG1 ILE 18 4.202 -7.122 -2.008
106 HG21 ILE 18 1HG2 ILE 18 2.533 -9.508 1.237
107 HG22 ILE 18 2HG2 ILE 18 3.032 -10.373 -0.257
108 HG23 ILE 18 3HG2 ILE 18 1.581 -9.304 -0.283
109 HD11 ILE 18 3HD1 ILE 18 4.361 -8.980 -3.601
110 HD12 ILE 18 1HD1 ILE 18 3.640 -10.130 -2.418
111 HD13 ILE 18 2HD1 ILE 18 5.265 -9.408 -2.100
112 H CYS 19 H CYS 19 4.900 -6.446 2.014
113 HA CYS 19 HA CYS 19 6.068 -4.433 0.281
114 HB2 CYS 19 2HB CYS 19 5.365 -3.959 3.253
115 HB3 CYS 19 1HB CYS 19 6.569 -2.986 2.346
116 H VAL 20 H VAL 20 8.344 -4.018 1.053
117 HA VAL 20 HA VAL 20 9.527 -6.521 1.776
118 HB VAL 20 HB VAL 20 10.502 -5.261 -0.019
119 HG11 VAL 20 1HG1 VAL 20 9.890 -2.938 0.713
120 HG12 VAL 20 2HG1 VAL 20 11.634 -3.096 0.316
121 HG13 VAL 20 3HG1 VAL 20 11.118 -3.031 2.033
122 HG21 VAL 20 3HG2 VAL 20 12.348 -5.345 2.460
123 HG22 VAL 20 1HG2 VAL 20 12.854 -5.371 0.733
124 HG23 VAL 20 2HG2 VAL 20 11.916 -6.752 1.414
Start of MODEL 4
1 H1 CYS 1 H CYS 1 0.071 0.965 -4.229
2 HA CYS 1 HA CYS 1 -1.972 2.970 -3.605
3 HB2 CYS 1 2HB CYS 1 -0.705 2.445 -6.369
4 HB3 CYS 1 1HB CYS 1 -2.235 3.354 -6.129
5 H VAL 2 H VAL 2 -2.624 0.686 -2.668
6 HA VAL 2 HA VAL 2 -4.542 -0.260 -4.653
7 HB VAL 2 HB VAL 2 -4.492 -2.568 -3.638
8 HG11 VAL 2 1HG1 VAL 2 -3.496 -2.065 -5.869
9 HG12 VAL 2 2HG1 VAL 2 -2.595 -3.359 -4.994
10 HG13 VAL 2 3HG1 VAL 2 -1.912 -1.694 -5.084
11 HG21 VAL 2 3HG2 VAL 2 -1.791 -1.593 -2.496
12 HG22 VAL 2 1HG2 VAL 2 -2.419 -3.270 -2.432
13 HG23 VAL 2 2HG2 VAL 2 -3.255 -1.973 -1.508
14 H TRP 3 H TRP 3 -6.070 -1.804 -2.788
15 HA TRP 3 HA TRP 3 -6.288 -0.101 -0.449
16 HB2 TRP 3 2HB TRP 3 -7.916 0.805 -2.199
17 HB3 TRP 3 1HB TRP 3 -8.743 -0.788 -2.168
18 HD1 TRP 3 HD TRP 3 -10.681 -0.879 -0.312
19 HE1 TRP 3 1HE TRP 3 -11.309 0.511 1.758
20 HE3 TRP 3 3HE TRP 3 -6.658 2.257 -0.271
21 HZ2 TRP 3 2HZ TRP 3 -10.179 2.674 3.259
22 HZ3 TRP 3 3HZ TRP 3 -6.457 3.942 1.522
23 HH2 TRP 3 HH TRP 3 -8.194 4.151 3.263
24 H GLY 4 H GLY 4 -7.025 -1.207 1.343
25 HA2 GLY 4 2HA GLY 4 -7.741 -2.904 2.571
26 HA3 GLY 4 1HA GLY 4 -7.960 -3.922 1.093
27 H GLY 5 H GLY 5 -5.221 -2.176 2.723
28 HA2 GLY 5 2HA GLY 5 -3.704 -4.683 2.759
29 HA3 GLY 5 1HA GLY 5 -3.081 -3.164 1.995
30 H ASP 6 H ASP 6 -1.658 -4.338 4.034
31 HA ASP 6 HA ASP 6 -2.475 -3.200 6.554
32 HB2 ASP 6 2HB ASP 6 -0.597 -4.503 7.517
33 HB3 ASP 6 1HB ASP 6 -1.727 -5.534 6.583
34 H CYS 7 H CYS 7 -0.080 -2.701 3.984
35 HA CYS 7 HA CYS 7 1.362 -0.763 5.661
36 HB2 CYS 7 2HB CYS 7 3.333 -1.270 4.081
37 HB3 CYS 7 1HB CYS 7 2.851 -2.512 5.255
38 H THR 8 H THR 8 2.716 0.239 3.123
39 HA THR 8 HA THR 8 0.474 1.770 2.025
40 HB THR 8 HB THR 8 3.033 2.945 3.252
41 HG1 THR 8 1HG THR 8 1.677 2.276 4.845
42 HG21 THR 8 3HG2 THR 8 2.125 4.324 1.358
43 HG22 THR 8 1HG2 THR 8 1.827 5.142 2.923
44 HG23 THR 8 2HG2 THR 8 0.480 4.282 2.093
45 H ASP 9 H ASP 9 0.903 2.457 -0.173
46 HA ASP 9 HA ASP 9 3.450 1.548 -1.280
47 HB2 ASP 9 2HB ASP 9 2.567 2.340 -3.522
48 HB3 ASP 9 1HB ASP 9 1.861 0.860 -2.812
49 H PHE 10 H PHE 10 1.817 4.423 -2.415
50 HA PHE 10 HA PHE 10 3.831 6.178 -1.207
51 HB2 PHE 10 2HB PHE 10 1.642 6.616 -3.353
52 HB3 PHE 10 1HB PHE 10 2.621 7.956 -2.650
53 HD1 PHE 10 1HD PHE 10 5.088 8.008 -3.022
54 HD2 PHE 10 2HD PHE 10 2.602 5.077 -4.948
55 HE1 PHE 10 1HE PHE 10 6.902 7.525 -4.634
56 HE2 PHE 10 2HE PHE 10 4.416 4.598 -6.560
57 HZ PHE 10 HZ PHE 10 6.570 5.820 -6.405
58 H LEU 11 H LEU 11 3.097 7.874 0.200
59 HA LEU 11 HA LEU 11 0.752 7.100 1.682
60 HB2 LEU 11 2HB LEU 11 2.890 7.754 2.836
61 HB3 LEU 11 1HB LEU 11 2.742 9.394 2.136
62 HG LEU 11 HG LEU 11 0.574 9.705 3.393
63 HD11 LEU 11 1HD1 LEU 11 1.258 6.989 4.698
64 HD12 LEU 11 2HD1 LEU 11 -0.173 7.346 3.659
65 HD13 LEU 11 3HD1 LEU 11 -0.010 8.140 5.263
66 HD21 LEU 11 3HD2 LEU 11 2.991 8.956 5.154
67 HD22 LEU 11 1HD2 LEU 11 1.607 10.010 5.631
68 HD23 LEU 11 2HD2 LEU 11 2.726 10.532 4.318
69 H GLY 12 H GLY 12 -1.224 7.983 1.418
70 HA2 GLY 12 2HA GLY 12 -2.630 9.795 1.144
71 HA3 GLY 12 1HA GLY 12 -1.468 10.546 -0.014
72 H CYS 13 H CYS 13 -0.979 7.689 -1.092
73 HA CYS 13 HA CYS 13 -2.987 7.868 -3.138
74 HB2 CYS 13 2HB CYS 13 -0.508 7.488 -3.572
75 HB3 CYS 13 1HB CYS 13 -0.665 5.864 -2.842
76 H GLY 14 H GLY 14 -1.631 5.113 -1.176
77 HA2 GLY 14 2HA GLY 14 -4.114 4.340 -0.153
78 HA3 GLY 14 1HA GLY 14 -3.717 3.398 -1.657
79 H THR 15 H THR 15 -3.697 1.477 0.030
80 HA THR 15 HA THR 15 -1.508 1.421 1.756
81 HB THR 15 HB THR 15 -2.594 -0.821 2.171
82 HG1 THR 15 1HG THR 15 -3.552 -1.191 0.255
83 HG21 THR 15 3HG2 THR 15 -3.163 1.242 3.502
84 HG22 THR 15 1HG2 THR 15 -4.574 0.139 3.321
85 HG23 THR 15 2HG2 THR 15 -4.470 1.632 2.321
86 H ALA 16 H ALA 16 -0.622 -1.158 1.585
87 HA ALA 16 HA ALA 16 -0.199 -1.869 -1.201
88 HB1 ALA 16 1HB ALA 16 1.919 -0.700 -0.739
89 HB2 ALA 16 2HB ALA 16 2.216 -2.470 -0.755
90 HB3 ALA 16 3HB ALA 16 2.102 -1.583 0.814
91 H TRP 17 H TRP 17 0.413 -4.132 -1.372
92 HA TRP 17 HA TRP 17 -0.629 -5.713 0.877
93 HB2 TRP 17 2HB TRP 17 -0.286 -6.424 -2.107
94 HB3 TRP 17 1HB TRP 17 -0.903 -7.528 -0.829
95 HD1 TRP 17 HD TRP 17 -2.982 -5.258 0.510
96 HE1 TRP 17 1HE TRP 17 -5.130 -4.733 -0.778
97 HE3 TRP 17 3HE TRP 17 -1.503 -6.869 -4.102
98 HZ2 TRP 17 2HZ TRP 17 -6.085 -4.961 -3.462
99 HZ3 TRP 17 3HZ TRP 17 -3.070 -6.672 -6.002
100 HH2 TRP 17 HH TRP 17 -5.329 -5.732 -5.690
101 H ILE 18 H ILE 18 1.718 -6.020 -1.859
102 HA ILE 18 HA ILE 18 3.632 -7.315 -0.097
103 HB ILE 18 HB ILE 18 3.804 -6.675 -3.083
104 HG12 ILE 18 2HG1 ILE 18 3.065 -9.297 -1.636
105 HG13 ILE 18 1HG1 ILE 18 1.931 -8.252 -2.555
106 HG21 ILE 18 1HG2 ILE 18 6.043 -6.888 -1.945
107 HG22 ILE 18 2HG2 ILE 18 5.741 -8.291 -3.010
108 HG23 ILE 18 3HG2 ILE 18 5.533 -8.460 -1.228
109 HD11 ILE 18 3HD1 ILE 18 3.277 -8.645 -4.655
110 HD12 ILE 18 1HD1 ILE 18 2.563 -10.146 -3.959
111 HD13 ILE 18 2HD1 ILE 18 4.316 -9.805 -3.743
112 H CYS 19 H CYS 19 5.222 -6.148 0.874
113 HA CYS 19 HA CYS 19 6.072 -3.605 -0.202
114 HB2 CYS 19 2HB CYS 19 5.697 -2.504 2.114
115 HB3 CYS 19 1HB CYS 19 4.269 -2.709 1.052
116 H VAL 20 H VAL 20 6.098 -5.957 2.526
117 HA VAL 20 HA VAL 20 8.956 -5.519 2.876
118 HB VAL 20 HB VAL 20 8.632 -7.009 4.890
119 HG11 VAL 20 1HG1 VAL 20 7.002 -4.386 4.716
120 HG12 VAL 20 2HG1 VAL 20 8.784 -4.516 4.974
121 HG13 VAL 20 3HG1 VAL 20 7.644 -5.151 6.216
122 HG21 VAL 20 3HG2 VAL 20 5.620 -6.536 4.279
123 HG22 VAL 20 1HG2 VAL 20 6.318 -7.341 5.723
124 HG23 VAL 20 2HG2 VAL 20 6.463 -8.120 4.110
Start of MODEL 5
1 H1 CYS 1 H CYS 1 -0.290 1.155 -4.320
2 HA CYS 1 HA CYS 1 -2.212 2.877 -3.065
3 HB2 CYS 1 2HB CYS 1 -0.804 4.353 -4.683
4 HB3 CYS 1 1HB CYS 1 -1.591 3.470 -6.022
5 H VAL 2 H VAL 2 -2.843 0.617 -2.734
6 HA VAL 2 HA VAL 2 -4.867 0.047 -4.769
7 HB VAL 2 HB VAL 2 -4.885 -2.352 -3.965
8 HG11 VAL 2 1HG1 VAL 2 -3.882 -1.670 -6.144
9 HG12 VAL 2 2HG1 VAL 2 -2.991 -3.049 -5.398
10 HG13 VAL 2 3HG1 VAL 2 -2.292 -1.391 -5.336
11 HG21 VAL 2 3HG2 VAL 2 -2.827 -3.216 -2.833
12 HG22 VAL 2 1HG2 VAL 2 -3.624 -1.983 -1.791
13 HG23 VAL 2 2HG2 VAL 2 -2.150 -1.562 -2.746
14 H TRP 3 H TRP 3 -6.422 -1.603 -2.968
15 HA TRP 3 HA TRP 3 -6.516 -0.051 -0.514
16 HB2 TRP 3 2HB TRP 3 -8.199 0.969 -2.147
17 HB3 TRP 3 1HB TRP 3 -9.044 -0.615 -2.173
18 HD1 TRP 3 HD TRP 3 -10.915 -0.783 -0.255
19 HE1 TRP 3 1HE TRP 3 -11.451 0.502 1.908
20 HE3 TRP 3 3HE TRP 3 -6.845 2.292 -0.187
21 HZ2 TRP 3 2HZ TRP 3 -10.235 2.562 3.484
22 HZ3 TRP 3 3HZ TRP 3 -6.557 3.875 1.685
23 HH2 TRP 3 HH TRP 3 -8.229 4.012 3.496
24 H GLY 4 H GLY 4 -7.215 -1.251 1.236
25 HA2 GLY 4 2HA GLY 4 -7.830 -3.026 2.399
26 HA3 GLY 4 1HA GLY 4 -8.155 -3.945 0.875
27 H GLY 5 H GLY 5 -5.308 -2.312 2.426
28 HA2 GLY 5 2HA GLY 5 -3.790 -4.806 2.136
29 HA3 GLY 5 1HA GLY 5 -3.205 -3.196 1.549
30 H ASP 6 H ASP 6 -1.647 -4.551 3.275
31 HA ASP 6 HA ASP 6 -2.339 -3.963 6.012
32 HB2 ASP 6 2HB ASP 6 0.127 -5.340 4.759
33 HB3 ASP 6 1HB ASP 6 -0.255 -5.279 6.521
34 H CYS 7 H CYS 7 -0.047 -2.919 3.460
35 HA CYS 7 HA CYS 7 1.270 -1.147 5.408
36 HB2 CYS 7 2HB CYS 7 3.344 -1.350 4.049
37 HB3 CYS 7 1HB CYS 7 2.836 -2.855 4.845
38 H THR 8 H THR 8 2.677 -0.038 2.839
39 HA THR 8 HA THR 8 0.459 1.614 1.885
40 HB THR 8 HB THR 8 3.059 2.690 3.113
41 HG1 THR 8 1HG THR 8 1.733 1.963 4.705
42 HG21 THR 8 3HG2 THR 8 2.143 4.177 1.316
43 HG22 THR 8 1HG2 THR 8 1.844 4.912 2.924
44 HG23 THR 8 2HG2 THR 8 0.498 4.093 2.057
45 H ASP 9 H ASP 9 0.846 2.383 -0.278
46 HA ASP 9 HA ASP 9 3.333 1.466 -1.504
47 HB2 ASP 9 2HB ASP 9 2.355 2.343 -3.683
48 HB3 ASP 9 1HB ASP 9 1.628 0.870 -2.977
49 H PHE 10 H PHE 10 1.733 4.372 -2.522
50 HA PHE 10 HA PHE 10 3.922 6.080 -1.658
51 HB2 PHE 10 2HB PHE 10 1.388 6.544 -3.382
52 HB3 PHE 10 1HB PHE 10 2.569 7.844 -2.980
53 HD1 PHE 10 2HD PHE 10 4.996 7.536 -3.705
54 HD2 PHE 10 1HD PHE 10 1.826 5.019 -5.152
55 HE1 PHE 10 2HE PHE 10 6.418 6.832 -5.605
56 HE2 PHE 10 1HE PHE 10 3.248 4.318 -7.050
57 HZ PHE 10 HZ PHE 10 5.547 5.222 -7.281
58 H LEU 11 H LEU 11 3.401 8.055 -0.454
59 HA LEU 11 HA LEU 11 1.582 7.461 1.675
60 HB2 LEU 11 2HB LEU 11 3.262 9.988 1.183
61 HB3 LEU 11 1HB LEU 11 2.435 9.542 2.716
62 HG LEU 11 HG LEU 11 4.765 8.025 1.384
63 HD11 LEU 11 1HD1 LEU 11 4.736 9.823 3.889
64 HD12 LEU 11 2HD1 LEU 11 5.445 10.240 2.282
65 HD13 LEU 11 3HD1 LEU 11 6.148 8.893 3.255
66 HD21 LEU 11 3HD2 LEU 11 3.385 7.521 4.101
67 HD22 LEU 11 1HD2 LEU 11 4.917 6.747 3.541
68 HD23 LEU 11 2HD2 LEU 11 3.382 6.428 2.664
69 H GLY 12 H GLY 12 -0.508 8.094 1.771
70 HA2 GLY 12 2HA GLY 12 -2.146 9.622 1.768
71 HA3 GLY 12 1HA GLY 12 -1.287 10.616 0.538
72 H CYS 13 H CYS 13 -0.893 7.791 -0.891
73 HA CYS 13 HA CYS 13 -3.176 8.218 -2.580
74 HB2 CYS 13 2HB CYS 13 -0.780 7.868 -3.383
75 HB3 CYS 13 1HB CYS 13 -0.933 6.145 -2.931
76 H GLY 14 H GLY 14 -1.672 5.227 -1.096
77 HA2 GLY 14 2HA GLY 14 -4.115 4.461 0.086
78 HA3 GLY 14 1HA GLY 14 -3.832 3.608 -1.494
79 H THR 15 H THR 15 -3.792 1.583 0.045
80 HA THR 15 HA THR 15 -1.536 1.339 1.672
81 HB THR 15 HB THR 15 -2.690 -0.896 1.985
82 HG1 THR 15 1HG THR 15 -4.656 -1.182 1.149
83 HG21 THR 15 3HG2 THR 15 -4.434 1.618 2.440
84 HG22 THR 15 1HG2 THR 15 -3.078 1.084 3.501
85 HG23 THR 15 2HG2 THR 15 -4.549 0.058 3.334
86 H ALA 16 H ALA 16 -0.643 -1.138 1.367
87 HA ALA 16 HA ALA 16 -0.629 -1.974 -1.393
88 HB1 ALA 16 1HB ALA 16 1.979 -1.538 0.186
89 HB2 ALA 16 2HB ALA 16 1.529 -0.737 -1.354
90 HB3 ALA 16 3HB ALA 16 1.856 -2.504 -1.337
91 H TRP 17 H TRP 17 0.148 -4.281 -1.455
92 HA TRP 17 HA TRP 17 -1.109 -5.581 0.808
93 HB2 TRP 17 2HB TRP 17 -0.209 -6.632 -1.938
94 HB3 TRP 17 1HB TRP 17 -1.050 -7.605 -0.677
95 HD1 TRP 17 HD TRP 17 -3.355 -5.503 0.140
96 HE1 TRP 17 1HE TRP 17 -5.227 -4.928 -1.497
97 HE3 TRP 17 3HE TRP 17 -1.003 -6.905 -4.156
98 HZ2 TRP 17 2HZ TRP 17 -5.668 -5.102 -4.331
99 HZ3 TRP 17 3HZ TRP 17 -2.190 -6.665 -6.311
100 HH2 TRP 17 HH TRP 17 -4.491 -5.778 -6.398
101 H ILE 18 H ILE 18 1.712 -6.572 -1.236
102 HA ILE 18 HA ILE 18 3.060 -7.452 1.197
103 HB ILE 18 HB ILE 18 3.882 -7.875 -1.719
104 HG12 ILE 18 2HG1 ILE 18 3.267 -10.363 -0.856
105 HG13 ILE 18 1HG1 ILE 18 2.083 -9.474 0.150
106 HG21 ILE 18 1HG2 ILE 18 5.405 -9.600 -0.679
107 HG22 ILE 18 2HG2 ILE 18 4.894 -9.051 0.959
108 HG23 ILE 18 3HG2 ILE 18 5.804 -7.939 -0.133
109 HD11 ILE 18 3HD1 ILE 18 1.092 -10.258 -2.017
110 HD12 ILE 18 1HD1 ILE 18 2.354 -9.360 -2.939
111 HD13 ILE 18 2HD1 ILE 18 1.120 -8.460 -1.987
112 H CYS 19 H CYS 19 4.665 -6.239 2.076
113 HA CYS 19 HA CYS 19 6.140 -4.389 0.339
114 HB2 CYS 19 2HB CYS 19 5.312 -3.896 3.268
115 HB3 CYS 19 1HB CYS 19 6.533 -2.931 2.372
116 H VAL 20 H VAL 20 8.368 -4.054 1.247
117 HA VAL 20 HA VAL 20 9.404 -6.605 2.094
118 HB VAL 20 HB VAL 20 11.627 -5.572 1.750
119 HG11 VAL 20 1HG1 VAL 20 9.639 -5.237 -0.599
120 HG12 VAL 20 2HG1 VAL 20 10.402 -6.785 -0.068
121 HG13 VAL 20 3HG1 VAL 20 11.422 -5.450 -0.719
122 HG21 VAL 20 3HG2 VAL 20 11.032 -3.197 2.349
123 HG22 VAL 20 1HG2 VAL 20 9.992 -3.081 0.879
124 HG23 VAL 20 2HG2 VAL 20 11.767 -3.305 0.714
Start of MODEL 6
1 H1 CYS 1 H CYS 1 -0.105 0.873 -4.228
2 HA CYS 1 HA CYS 1 -1.936 3.017 -3.439
3 HB2 CYS 1 2HB CYS 1 -0.831 2.524 -6.281
4 HB3 CYS 1 1HB CYS 1 -2.262 3.551 -5.927
5 H VAL 2 H VAL 2 -2.748 0.727 -2.589
6 HA VAL 2 HA VAL 2 -4.744 -0.012 -4.592
7 HB VAL 2 HB VAL 2 -4.793 -2.371 -3.773
8 HG11 VAL 2 1HG1 VAL 2 -2.885 -3.150 -5.124
9 HG12 VAL 2 2HG1 VAL 2 -2.125 -1.521 -5.065
10 HG13 VAL 2 3HG1 VAL 2 -3.694 -1.754 -5.926
11 HG21 VAL 2 3HG2 VAL 2 -2.788 -3.262 -2.566
12 HG22 VAL 2 1HG2 VAL 2 -3.614 -2.014 -1.565
13 HG23 VAL 2 2HG2 VAL 2 -2.102 -1.608 -2.468
14 H TRP 3 H TRP 3 -6.380 -1.522 -2.991
15 HA TRP 3 HA TRP 3 -6.737 0.065 -0.545
16 HB2 TRP 3 2HB TRP 3 -8.447 0.752 -2.258
17 HB3 TRP 3 1HB TRP 3 -8.933 -0.963 -2.448
18 HD1 TRP 3 HD TRP 3 -8.766 1.687 0.500
19 HE1 TRP 3 1HE TRP 3 -10.769 1.264 2.050
20 HE3 TRP 3 3HE TRP 3 -10.664 -2.422 -1.845
21 HZ2 TRP 3 2HZ TRP 3 -12.887 -0.650 2.272
22 HZ3 TRP 3 3HZ TRP 3 -12.655 -3.540 -0.901
23 HH2 TRP 3 HH TRP 3 -13.753 -2.667 1.128
24 H GLY 4 H GLY 4 -7.240 -1.158 1.242
25 HA2 GLY 4 2HA GLY 4 -7.733 -2.874 2.499
26 HA3 GLY 4 1HA GLY 4 -8.177 -3.824 1.027
27 H GLY 5 H GLY 5 -5.228 -2.378 2.569
28 HA2 GLY 5 2HA GLY 5 -3.835 -4.929 2.189
29 HA3 GLY 5 1HA GLY 5 -3.173 -3.347 1.605
30 H ASP 6 H ASP 6 -1.613 -4.701 3.291
31 HA ASP 6 HA ASP 6 -2.307 -4.228 6.036
32 HB2 ASP 6 2HB ASP 6 0.236 -5.447 4.774
33 HB3 ASP 6 1HB ASP 6 -0.198 -5.480 6.524
34 H CYS 7 H CYS 7 0.032 -2.991 3.579
35 HA CYS 7 HA CYS 7 1.171 -1.237 5.656
36 HB2 CYS 7 2HB CYS 7 2.593 -2.515 3.268
37 HB3 CYS 7 1HB CYS 7 3.327 -1.377 4.459
38 H THR 8 H THR 8 2.653 -0.317 2.890
39 HA THR 8 HA THR 8 0.568 1.512 2.015
40 HB THR 8 HB THR 8 3.287 2.361 3.162
41 HG1 THR 8 1HG THR 8 0.674 2.690 4.188
42 HG21 THR 8 3HG2 THR 8 2.354 4.694 2.935
43 HG22 THR 8 1HG2 THR 8 0.883 4.030 2.132
44 HG23 THR 8 2HG2 THR 8 2.499 3.889 1.342
45 H ASP 9 H ASP 9 1.013 2.200 -0.188
46 HA ASP 9 HA ASP 9 3.417 1.046 -1.391
47 HB2 ASP 9 2HB ASP 9 2.540 1.985 -3.591
48 HB3 ASP 9 1HB ASP 9 1.725 0.558 -2.892
49 H PHE 10 H PHE 10 2.053 4.084 -2.441
50 HA PHE 10 HA PHE 10 4.257 5.628 -1.297
51 HB2 PHE 10 2HB PHE 10 1.988 6.277 -3.301
52 HB3 PHE 10 1HB PHE 10 3.087 7.535 -2.626
53 HD1 PHE 10 2HD PHE 10 5.516 7.464 -3.154
54 HD2 PHE 10 1HD PHE 10 2.769 4.690 -4.954
55 HE1 PHE 10 2HE PHE 10 7.206 6.903 -4.873
56 HE2 PHE 10 1HE PHE 10 4.458 4.132 -6.672
57 HZ PHE 10 HZ PHE 10 6.681 5.237 -6.635
58 H LEU 11 H LEU 11 3.740 7.392 0.145
59 HA LEU 11 HA LEU 11 1.500 6.741 1.821
60 HB2 LEU 11 2HB LEU 11 3.763 7.282 2.772
61 HB3 LEU 11 1HB LEU 11 3.629 8.934 2.092
62 HG LEU 11 HG LEU 11 1.608 9.340 3.548
63 HD11 LEU 11 1HD1 LEU 11 2.275 6.585 4.776
64 HD12 LEU 11 2HD1 LEU 11 0.773 7.019 3.876
65 HD13 LEU 11 3HD1 LEU 11 1.124 7.793 5.461
66 HD21 LEU 11 3HD2 LEU 11 2.857 9.580 5.680
67 HD22 LEU 11 1HD2 LEU 11 3.875 10.055 4.269
68 HD23 LEU 11 2HD2 LEU 11 4.138 8.461 5.074
69 H GLY 12 H GLY 12 -0.445 7.725 1.769
70 HA2 GLY 12 2HA GLY 12 -1.813 9.550 1.649
71 HA3 GLY 12 1HA GLY 12 -0.701 10.349 0.474
72 H CYS 13 H CYS 13 -0.451 7.466 -0.755
73 HA CYS 13 HA CYS 13 -2.516 7.921 -2.707
74 HB2 CYS 13 2HB CYS 13 -0.093 7.408 -3.275
75 HB3 CYS 13 1HB CYS 13 -0.323 5.759 -2.632
76 H GLY 14 H GLY 14 -1.278 4.941 -1.010
77 HA2 GLY 14 2HA GLY 14 -3.798 4.284 0.051
78 HA3 GLY 14 1HA GLY 14 -3.474 3.401 -1.506
79 H THR 15 H THR 15 -3.590 1.413 0.096
80 HA THR 15 HA THR 15 -1.395 1.104 1.793
81 HB THR 15 HB THR 15 -2.656 -1.076 2.092
82 HG1 THR 15 1HG THR 15 -4.619 -1.268 1.211
83 HG21 THR 15 3HG2 THR 15 -4.279 1.526 2.479
84 HG22 THR 15 1HG2 THR 15 -2.981 0.931 3.581
85 HG23 THR 15 2HG2 THR 15 -4.498 -0.019 3.383
86 H ALA 16 H ALA 16 -0.710 -1.531 1.507
87 HA ALA 16 HA ALA 16 -0.535 -2.248 -1.265
88 HB1 ALA 16 1HB ALA 16 1.889 -2.757 -1.271
89 HB2 ALA 16 2HB ALA 16 2.065 -2.003 0.361
90 HB3 ALA 16 3HB ALA 16 1.622 -0.997 -1.064
91 H TRP 17 H TRP 17 -0.158 -4.486 -1.516
92 HA TRP 17 HA TRP 17 -1.168 -5.965 0.749
93 HB2 TRP 17 2HB TRP 17 -0.527 -6.838 -2.142
94 HB3 TRP 17 1HB TRP 17 -1.370 -7.834 -0.903
95 HD1 TRP 17 HD TRP 17 -3.511 -5.622 0.132
96 HE1 TRP 17 1HE TRP 17 -5.418 -4.888 -1.406
97 HE3 TRP 17 3HE TRP 17 -1.415 -6.961 -4.319
98 HZ2 TRP 17 2HZ TRP 17 -5.974 -4.899 -4.217
99 HZ3 TRP 17 3HZ TRP 17 -2.674 -6.565 -6.409
100 HH2 TRP 17 HH TRP 17 -4.921 -5.549 -6.360
101 H ILE 18 H ILE 18 1.548 -6.207 -1.632
102 HA ILE 18 HA ILE 18 3.187 -7.648 0.287
103 HB ILE 18 HB ILE 18 3.846 -6.580 -2.505
104 HG12 ILE 18 2HG1 ILE 18 3.093 -9.422 -1.574
105 HG13 ILE 18 1HG1 ILE 18 2.050 -8.324 -2.538
106 HG21 ILE 18 1HG2 ILE 18 5.368 -8.503 -0.606
107 HG22 ILE 18 2HG2 ILE 18 5.861 -6.816 -1.012
108 HG23 ILE 18 3HG2 ILE 18 5.871 -8.072 -2.284
109 HD11 ILE 18 3HD1 ILE 18 3.765 -8.327 -4.390
110 HD12 ILE 18 1HD1 ILE 18 3.073 -9.955 -4.040
111 HD13 ILE 18 2HD1 ILE 18 4.727 -9.543 -3.465
112 H CYS 19 H CYS 19 4.565 -6.534 1.659
113 HA CYS 19 HA CYS 19 4.098 -3.705 1.745
114 HB2 CYS 19 2HB CYS 19 5.608 -5.613 3.613
115 HB3 CYS 19 1HB CYS 19 5.370 -3.861 3.935
116 H VAL 20 H VAL 20 5.706 -2.101 1.958
117 HA VAL 20 HA VAL 20 7.926 -2.551 0.183
118 HB VAL 20 HB VAL 20 8.241 -0.096 0.339
119 HG11 VAL 20 1HG1 VAL 20 6.154 0.472 -0.886
120 HG12 VAL 20 2HG1 VAL 20 5.353 -1.020 -0.280
121 HG13 VAL 20 3HG1 VAL 20 6.770 -1.148 -1.389
122 HG21 VAL 20 3HG2 VAL 20 6.526 1.273 1.545
123 HG22 VAL 20 1HG2 VAL 20 7.442 0.243 2.700
124 HG23 VAL 20 2HG2 VAL 20 5.768 -0.214 2.212
Start of MODEL 7
1 H1 CYS 1 H CYS 1 -0.342 1.194 -4.381
2 HA CYS 1 HA CYS 1 -2.303 2.838 -3.082
3 HB2 CYS 1 2HB CYS 1 -0.983 4.378 -4.715
4 HB3 CYS 1 1HB CYS 1 -1.755 3.472 -6.047
5 H VAL 2 H VAL 2 -2.799 0.531 -2.774
6 HA VAL 2 HA VAL 2 -4.891 -0.080 -4.721
7 HB VAL 2 HB VAL 2 -4.772 -2.495 -3.946
8 HG11 VAL 2 1HG1 VAL 2 -2.313 -1.415 -5.468
9 HG12 VAL 2 2HG1 VAL 2 -3.938 -1.751 -6.176
10 HG13 VAL 2 3HG1 VAL 2 -2.946 -3.099 -5.507
11 HG21 VAL 2 3HG2 VAL 2 -2.621 -3.290 -2.954
12 HG22 VAL 2 1HG2 VAL 2 -3.389 -2.094 -1.853
13 HG23 VAL 2 2HG2 VAL 2 -1.994 -1.615 -2.895
14 H TRP 3 H TRP 3 -6.330 -1.783 -2.895
15 HA TRP 3 HA TRP 3 -6.301 -0.301 -0.396
16 HB2 TRP 3 2HB TRP 3 -8.082 0.726 -1.920
17 HB3 TRP 3 1HB TRP 3 -8.919 -0.863 -1.897
18 HD1 TRP 3 HD TRP 3 -10.620 -1.077 0.168
19 HE1 TRP 3 1HE TRP 3 -10.988 0.173 2.389
20 HE3 TRP 3 3HE TRP 3 -6.608 2.063 -0.072
21 HZ2 TRP 3 2HZ TRP 3 -9.672 2.236 3.880
22 HZ3 TRP 3 3HZ TRP 3 -6.180 3.621 1.792
23 HH2 TRP 3 HH TRP 3 -7.692 3.713 3.742
24 H GLY 4 H GLY 4 -7.015 -1.520 1.362
25 HA2 GLY 4 2HA GLY 4 -7.581 -3.336 2.497
26 HA3 GLY 4 1HA GLY 4 -7.774 -4.276 0.964
27 H GLY 5 H GLY 5 -5.053 -2.336 2.360
28 HA2 GLY 5 2HA GLY 5 -3.348 -4.729 2.216
29 HA3 GLY 5 1HA GLY 5 -2.905 -3.083 1.615
30 H ASP 6 H ASP 6 -1.318 -4.389 3.456
31 HA ASP 6 HA ASP 6 -2.089 -3.592 6.120
32 HB2 ASP 6 2HB ASP 6 -1.105 -5.881 5.579
33 HB3 ASP 6 1HB ASP 6 0.415 -5.072 5.077
34 H CYS 7 H CYS 7 0.232 -2.751 3.510
35 HA CYS 7 HA CYS 7 1.579 -0.883 5.345
36 HB2 CYS 7 2HB CYS 7 3.593 -1.083 3.930
37 HB3 CYS 7 1HB CYS 7 3.126 -2.594 4.742
38 H THR 8 H THR 8 2.873 0.191 2.706
39 HA THR 8 HA THR 8 0.603 1.809 1.812
40 HB THR 8 HB THR 8 3.246 2.933 2.889
41 HG1 THR 8 1HG THR 8 0.649 2.974 4.007
42 HG21 THR 8 3HG2 THR 8 2.034 5.145 2.719
43 HG22 THR 8 1HG2 THR 8 0.628 4.318 1.958
44 HG23 THR 8 2HG2 THR 8 2.220 4.375 1.112
45 H ASP 9 H ASP 9 0.868 2.506 -0.383
46 HA ASP 9 HA ASP 9 3.347 1.670 -1.687
47 HB2 ASP 9 2HB ASP 9 2.263 2.526 -3.835
48 HB3 ASP 9 1HB ASP 9 1.642 1.010 -3.123
49 H PHE 10 H PHE 10 1.601 4.528 -2.648
50 HA PHE 10 HA PHE 10 3.713 6.311 -1.721
51 HB2 PHE 10 2HB PHE 10 1.168 6.786 -3.428
52 HB3 PHE 10 1HB PHE 10 2.372 8.061 -3.009
53 HD1 PHE 10 1HD PHE 10 4.813 7.674 -3.750
54 HD2 PHE 10 2HD PHE 10 1.519 5.380 -5.290
55 HE1 PHE 10 1HE PHE 10 6.187 7.003 -5.696
56 HE2 PHE 10 2HE PHE 10 2.894 4.711 -7.233
57 HZ PHE 10 HZ PHE 10 5.232 5.519 -7.439
58 H LEU 11 H LEU 11 3.172 8.053 -0.276
59 HA LEU 11 HA LEU 11 1.119 7.322 1.613
60 HB2 LEU 11 2HB LEU 11 3.216 9.565 1.577
61 HB3 LEU 11 1HB LEU 11 1.935 9.431 2.828
62 HG LEU 11 HG LEU 11 2.772 7.167 3.464
63 HD11 LEU 11 1HD1 LEU 11 4.050 6.421 1.486
64 HD12 LEU 11 2HD1 LEU 11 5.148 6.537 2.900
65 HD13 LEU 11 3HD1 LEU 11 5.175 7.825 1.638
66 HD21 LEU 11 3HD2 LEU 11 4.687 8.031 4.790
67 HD22 LEU 11 1HD2 LEU 11 3.334 9.222 4.740
68 HD23 LEU 11 2HD2 LEU 11 4.797 9.478 3.716
69 H GLY 12 H GLY 12 -0.897 8.154 1.628
70 HA2 GLY 12 2HA GLY 12 -2.348 9.928 1.565
71 HA3 GLY 12 1HA GLY 12 -1.405 10.692 0.233
72 H CYS 13 H CYS 13 -1.083 7.944 -1.062
73 HA CYS 13 HA CYS 13 -3.447 8.209 -2.658
74 HB2 CYS 13 2HB CYS 13 -1.066 7.926 -3.534
75 HB3 CYS 13 1HB CYS 13 -1.138 6.213 -3.030
76 H GLY 14 H GLY 14 -1.778 5.323 -1.119
77 HA2 GLY 14 2HA GLY 14 -4.149 4.496 0.147
78 HA3 GLY 14 1HA GLY 14 -3.892 3.617 -1.421
79 H THR 15 H THR 15 -3.739 1.639 0.176
80 HA THR 15 HA THR 15 -1.379 1.480 1.666
81 HB THR 15 HB THR 15 -2.491 -0.771 2.106
82 HG1 THR 15 1HG THR 15 -3.751 -0.957 0.335
83 HG21 THR 15 3HG2 THR 15 -4.225 0.213 3.597
84 HG22 THR 15 1HG2 THR 15 -4.175 1.761 2.677
85 HG23 THR 15 2HG2 THR 15 -2.737 1.228 3.628
86 H ALA 16 H ALA 16 -0.414 -0.945 1.361
87 HA ALA 16 HA ALA 16 -0.567 -1.840 -1.391
88 HB1 ALA 16 1HB ALA 16 2.107 -1.350 0.051
89 HB2 ALA 16 2HB ALA 16 1.562 -0.558 -1.463
90 HB3 ALA 16 3HB ALA 16 1.922 -2.318 -1.464
91 H TRP 17 H TRP 17 0.266 -4.122 -1.488
92 HA TRP 17 HA TRP 17 -0.857 -5.461 0.817
93 HB2 TRP 17 2HB TRP 17 0.034 -6.508 -1.937
94 HB3 TRP 17 1HB TRP 17 -0.753 -7.492 -0.652
95 HD1 TRP 17 HD TRP 17 -3.143 -5.473 0.156
96 HE1 TRP 17 1HE TRP 17 -5.064 -5.055 -1.481
97 HE3 TRP 17 3HE TRP 17 -0.755 -6.841 -4.135
98 HZ2 TRP 17 2HZ TRP 17 -5.509 -5.287 -4.303
99 HZ3 TRP 17 3HZ TRP 17 -1.968 -6.704 -6.284
100 HH2 TRP 17 HH TRP 17 -4.312 -5.938 -6.368
101 H ILE 18 H ILE 18 1.938 -6.315 -1.314
102 HA ILE 18 HA ILE 18 3.385 -7.196 1.064
103 HB ILE 18 HB ILE 18 4.036 -7.581 -1.896
104 HG12 ILE 18 2HG1 ILE 18 2.738 -9.503 0.139
105 HG13 ILE 18 1HG1 ILE 18 1.905 -8.720 -1.245
106 HG21 ILE 18 1HG2 ILE 18 5.693 -9.261 -0.998
107 HG22 ILE 18 2HG2 ILE 18 5.226 -8.823 0.686
108 HG23 ILE 18 3HG2 ILE 18 6.052 -7.624 -0.376
109 HD11 ILE 18 3HD1 ILE 18 3.456 -9.904 -2.846
110 HD12 ILE 18 1HD1 ILE 18 2.441 -11.019 -1.859
111 HD13 ILE 18 2HD1 ILE 18 4.178 -10.794 -1.451
112 H CYS 19 H CYS 19 4.913 -5.901 1.917
113 HA CYS 19 HA CYS 19 6.340 -4.039 0.145
114 HB2 CYS 19 2HB CYS 19 5.567 -3.563 3.099
115 HB3 CYS 19 1HB CYS 19 6.756 -2.592 2.166
116 H VAL 20 H VAL 20 6.240 -5.891 3.236
117 HA VAL 20 HA VAL 20 9.114 -6.293 3.117
118 HB VAL 20 HB VAL 20 7.112 -7.359 5.173
119 HG11 VAL 20 1HG1 VAL 20 9.237 -8.672 5.025
120 HG12 VAL 20 2HG1 VAL 20 9.208 -7.681 6.526
121 HG13 VAL 20 3HG1 VAL 20 10.201 -7.149 5.119
122 HG21 VAL 20 3HG2 VAL 20 8.892 -4.826 5.174
123 HG22 VAL 20 1HG2 VAL 20 7.998 -5.475 6.598
124 HG23 VAL 20 2HG2 VAL 20 7.088 -4.866 5.174
Start of MODEL 8
1 H1 CYS 1 H CYS 1 -0.265 1.261 -4.326
2 HA CYS 1 HA CYS 1 -2.282 3.221 -3.516
3 HB2 CYS 1 2HB CYS 1 -1.170 2.847 -6.371
4 HB3 CYS 1 1HB CYS 1 -2.686 3.733 -5.994
5 H VAL 2 H VAL 2 -2.787 0.836 -2.667
6 HA VAL 2 HA VAL 2 -4.787 -0.087 -4.587
7 HB VAL 2 HB VAL 2 -4.549 -2.442 -3.726
8 HG11 VAL 2 1HG1 VAL 2 -3.711 -1.749 -5.971
9 HG12 VAL 2 2HG1 VAL 2 -2.684 -3.032 -5.230
10 HG13 VAL 2 3HG1 VAL 2 -2.111 -1.326 -5.251
11 HG21 VAL 2 3HG2 VAL 2 -2.384 -3.098 -2.676
12 HG22 VAL 2 1HG2 VAL 2 -3.224 -1.898 -1.632
13 HG23 VAL 2 2HG2 VAL 2 -1.837 -1.392 -2.676
14 H TRP 3 H TRP 3 -6.131 -1.806 -2.770
15 HA TRP 3 HA TRP 3 -6.313 -0.279 -0.307
16 HB2 TRP 3 2HB TRP 3 -8.080 0.648 -1.899
17 HB3 TRP 3 1HB TRP 3 -8.805 -0.992 -1.964
18 HD1 TRP 3 HD TRP 3 -10.686 -1.319 -0.082
19 HE1 TRP 3 1HE TRP 3 -11.312 -0.144 2.116
20 HE3 TRP 3 3HE TRP 3 -6.804 1.987 0.131
21 HZ2 TRP 3 2HZ TRP 3 -10.234 1.929 3.773
22 HZ3 TRP 3 3HZ TRP 3 -6.627 3.517 2.058
23 HH2 TRP 3 HH TRP 3 -8.320 3.494 3.856
24 H GLY 4 H GLY 4 -6.902 -1.549 1.437
25 HA2 GLY 4 2HA GLY 4 -7.405 -3.376 2.577
26 HA3 GLY 4 1HA GLY 4 -7.659 -4.299 1.043
27 H GLY 5 H GLY 5 -4.936 -2.468 2.590
28 HA2 GLY 5 2HA GLY 5 -3.236 -4.845 2.337
29 HA3 GLY 5 1HA GLY 5 -2.774 -3.222 1.674
30 H ASP 6 H ASP 6 -1.075 -4.275 3.486
31 HA ASP 6 HA ASP 6 -1.932 -3.619 6.171
32 HB2 ASP 6 2HB ASP 6 0.723 -4.820 5.165
33 HB3 ASP 6 1HB ASP 6 0.173 -4.729 6.878
34 H CYS 7 H CYS 7 0.408 -2.545 3.660
35 HA CYS 7 HA CYS 7 1.459 -0.553 5.553
36 HB2 CYS 7 2HB CYS 7 3.562 -0.575 4.210
37 HB3 CYS 7 1HB CYS 7 3.207 -2.086 5.070
38 H THR 8 H THR 8 2.773 0.490 2.845
39 HA THR 8 HA THR 8 0.465 2.025 1.910
40 HB THR 8 HB THR 8 3.086 3.217 2.984
41 HG1 THR 8 1HG THR 8 1.884 3.960 4.639
42 HG21 THR 8 3HG2 THR 8 1.847 5.412 2.716
43 HG22 THR 8 1HG2 THR 8 0.466 4.536 1.956
44 HG23 THR 8 2HG2 THR 8 2.073 4.589 1.141
45 H ASP 9 H ASP 9 0.794 2.727 -0.312
46 HA ASP 9 HA ASP 9 3.281 1.821 -1.549
47 HB2 ASP 9 2HB ASP 9 2.271 2.618 -3.742
48 HB3 ASP 9 1HB ASP 9 1.610 1.132 -3.002
49 H PHE 10 H PHE 10 1.586 4.661 -2.628
50 HA PHE 10 HA PHE 10 3.665 6.462 -1.665
51 HB2 PHE 10 2HB PHE 10 1.228 6.749 -3.545
52 HB3 PHE 10 1HB PHE 10 2.158 8.175 -2.967
53 HD1 PHE 10 1HD PHE 10 4.483 8.517 -3.693
54 HD2 PHE 10 2HD PHE 10 2.225 5.141 -5.105
55 HE1 PHE 10 1HE PHE 10 6.155 8.142 -5.478
56 HE2 PHE 10 2HE PHE 10 3.896 4.771 -6.890
57 HZ PHE 10 HZ PHE 10 5.865 6.269 -7.079
58 H LEU 11 H LEU 11 3.108 8.217 -0.268
59 HA LEU 11 HA LEU 11 1.060 7.505 1.613
60 HB2 LEU 11 2HB LEU 11 3.400 8.267 2.202
61 HB3 LEU 11 1HB LEU 11 2.971 9.915 1.665
62 HG LEU 11 HG LEU 11 1.405 8.373 3.828
63 HD11 LEU 11 1HD1 LEU 11 3.796 8.413 4.496
64 HD12 LEU 11 2HD1 LEU 11 2.806 9.482 5.558
65 HD13 LEU 11 3HD1 LEU 11 3.846 10.203 4.273
66 HD21 LEU 11 3HD2 LEU 11 0.839 10.669 4.706
67 HD22 LEU 11 1HD2 LEU 11 0.202 10.405 3.050
68 HD23 LEU 11 2HD2 LEU 11 1.682 11.407 3.292
69 H GLY 12 H GLY 12 -0.991 8.188 1.410
70 HA2 GLY 12 2HA GLY 12 -2.665 9.647 1.173
71 HA3 GLY 12 1HA GLY 12 -1.571 10.834 0.361
72 H CYS 13 H CYS 13 -2.011 7.343 -0.339
73 HA CYS 13 HA CYS 13 -3.448 7.976 -2.794
74 HB2 CYS 13 2HB CYS 13 -0.939 7.778 -3.309
75 HB3 CYS 13 1HB CYS 13 -0.993 6.098 -2.704
76 H GLY 14 H GLY 14 -1.847 5.181 -1.117
77 HA2 GLY 14 2HA GLY 14 -4.259 4.237 -0.023
78 HA3 GLY 14 1HA GLY 14 -3.849 3.383 -1.576
79 H THR 15 H THR 15 -3.704 1.416 0.080
80 HA THR 15 HA THR 15 -1.446 1.403 1.711
81 HB THR 15 HB THR 15 -2.422 -0.890 2.105
82 HG1 THR 15 1HG THR 15 -4.339 -1.382 1.239
83 HG21 THR 15 3HG2 THR 15 -3.024 1.115 3.514
84 HG22 THR 15 1HG2 THR 15 -4.390 -0.049 3.363
85 HG23 THR 15 2HG2 THR 15 -4.396 1.471 2.399
86 H ALA 16 H ALA 16 -0.474 -1.154 1.426
87 HA ALA 16 HA ALA 16 -0.259 -1.823 -1.371
88 HB1 ALA 16 1HB ALA 16 1.807 -0.494 -1.180
89 HB2 ALA 16 2HB ALA 16 2.222 -2.241 -1.249
90 HB3 ALA 16 3HB ALA 16 2.256 -1.358 0.325
91 H TRP 17 H TRP 17 0.226 -4.028 -1.661
92 HA TRP 17 HA TRP 17 -0.725 -5.615 0.563
93 HB2 TRP 17 2HB TRP 17 -0.087 -6.341 -2.367
94 HB3 TRP 17 1HB TRP 17 -0.820 -7.450 -1.155
95 HD1 TRP 17 HD TRP 17 -3.062 -5.342 0.015
96 HE1 TRP 17 1HE TRP 17 -5.097 -4.818 -1.448
97 HE3 TRP 17 3HE TRP 17 -1.078 -6.638 -4.501
98 HZ2 TRP 17 2HZ TRP 17 -5.778 -4.943 -4.225
99 HZ3 TRP 17 3HZ TRP 17 -2.462 -6.406 -6.535
100 HH2 TRP 17 HH TRP 17 -4.779 -5.571 -6.401
101 H ILE 18 H ILE 18 2.053 -5.479 -1.749
102 HA ILE 18 HA ILE 18 3.566 -7.360 -0.179
103 HB ILE 18 HB ILE 18 4.426 -5.650 -2.560
104 HG12 ILE 18 2HG1 ILE 18 3.436 -8.569 -2.435
105 HG13 ILE 18 1HG1 ILE 18 2.527 -7.180 -3.121
106 HG21 ILE 18 1HG2 ILE 18 6.334 -6.425 -1.103
107 HG22 ILE 18 2HG2 ILE 18 6.336 -7.295 -2.664
108 HG23 ILE 18 3HG2 ILE 18 5.712 -8.115 -1.186
109 HD11 ILE 18 3HD1 ILE 18 4.345 -6.844 -4.840
110 HD12 ILE 18 1HD1 ILE 18 3.527 -8.445 -4.955
111 HD13 ILE 18 2HD1 ILE 18 5.167 -8.330 -4.226
112 H CYS 19 H CYS 19 4.677 -6.754 1.579
113 HA CYS 19 HA CYS 19 5.421 -3.925 1.911
114 HB2 CYS 19 2HB CYS 19 4.428 -5.904 4.062
115 HB3 CYS 19 1HB CYS 19 4.960 -4.209 4.344
116 H VAL 20 H VAL 20 5.948 -7.363 2.866
117 HA VAL 20 HA VAL 20 8.675 -6.816 3.596
118 HB VAL 20 HB VAL 20 7.438 -8.360 4.953
119 HG11 VAL 20 1HG1 VAL 20 5.810 -9.219 3.248
120 HG12 VAL 20 2HG1 VAL 20 6.643 -10.546 4.129
121 HG13 VAL 20 3HG1 VAL 20 7.136 -10.148 2.448
122 HG21 VAL 20 3HG2 VAL 20 9.911 -8.626 4.654
123 HG22 VAL 20 1HG2 VAL 20 9.629 -9.793 3.306
124 HG23 VAL 20 2HG2 VAL 20 9.090 -10.199 4.975
Start of MODEL 9
1 H1 CYS 1 H CYS 1 -0.243 1.204 -4.445
2 HA CYS 1 HA CYS 1 -2.246 3.189 -3.646
3 HB2 CYS 1 2HB CYS 1 -1.089 2.787 -6.480
4 HB3 CYS 1 1HB CYS 1 -2.611 3.681 -6.142
5 H VAL 2 H VAL 2 -2.819 0.837 -2.795
6 HA VAL 2 HA VAL 2 -4.876 0.009 -4.686
7 HB VAL 2 HB VAL 2 -4.751 -2.360 -3.813
8 HG11 VAL 2 1HG1 VAL 2 -2.301 -1.384 -5.415
9 HG12 VAL 2 2HG1 VAL 2 -3.942 -1.723 -6.085
10 HG13 VAL 2 3HG1 VAL 2 -2.964 -3.055 -5.367
11 HG21 VAL 2 3HG2 VAL 2 -3.334 -1.869 -1.760
12 HG22 VAL 2 1HG2 VAL 2 -1.953 -1.455 -2.852
13 HG23 VAL 2 2HG2 VAL 2 -2.596 -3.128 -2.815
14 H TRP 3 H TRP 3 -6.296 -1.612 -2.824
15 HA TRP 3 HA TRP 3 -6.291 -0.071 -0.365
16 HB2 TRP 3 2HB TRP 3 -8.037 0.954 -1.928
17 HB3 TRP 3 1HB TRP 3 -8.889 -0.626 -1.908
18 HD1 TRP 3 HD TRP 3 -10.652 -0.792 0.111
19 HE1 TRP 3 1HE TRP 3 -11.069 0.498 2.299
20 HE3 TRP 3 3HE TRP 3 -6.590 2.291 -0.054
21 HZ2 TRP 3 2HZ TRP 3 -9.770 2.565 3.799
22 HZ3 TRP 3 3HZ TRP 3 -6.198 3.874 1.796
23 HH2 TRP 3 HH TRP 3 -7.768 4.014 3.697
24 H GLY 4 H GLY 4 -6.962 -1.276 1.408
25 HA2 GLY 4 2HA GLY 4 -7.565 -3.054 2.574
26 HA3 GLY 4 1HA GLY 4 -7.893 -3.975 1.053
27 H GLY 5 H GLY 5 -5.027 -2.296 2.505
28 HA2 GLY 5 2HA GLY 5 -3.503 -4.793 2.258
29 HA3 GLY 5 1HA GLY 5 -2.943 -3.191 1.630
30 H ASP 6 H ASP 6 -1.304 -4.450 3.315
31 HA ASP 6 HA ASP 6 -1.936 -3.856 6.066
32 HB2 ASP 6 2HB ASP 6 0.535 -5.176 4.764
33 HB3 ASP 6 1HB ASP 6 0.198 -5.100 6.535
34 H CYS 7 H CYS 7 0.267 -2.777 3.445
35 HA CYS 7 HA CYS 7 1.551 -0.924 5.339
36 HB2 CYS 7 2HB CYS 7 3.599 -1.060 3.941
37 HB3 CYS 7 1HB CYS 7 3.172 -2.576 4.761
38 H THR 8 H THR 8 2.851 0.189 2.710
39 HA THR 8 HA THR 8 0.553 1.782 1.832
40 HB THR 8 HB THR 8 3.209 2.908 2.879
41 HG1 THR 8 1HG THR 8 2.065 3.590 4.601
42 HG21 THR 8 3HG2 THR 8 1.975 5.116 2.731
43 HG22 THR 8 1HG2 THR 8 0.558 4.274 2.001
44 HG23 THR 8 2HG2 THR 8 2.129 4.349 1.120
45 H ASP 9 H ASP 9 0.832 2.540 -0.377
46 HA ASP 9 HA ASP 9 3.303 1.670 -1.682
47 HB2 ASP 9 2HB ASP 9 2.285 2.571 -3.829
48 HB3 ASP 9 1HB ASP 9 1.634 1.052 -3.153
49 H PHE 10 H PHE 10 1.611 4.586 -2.602
50 HA PHE 10 HA PHE 10 3.700 6.293 -1.460
51 HB2 PHE 10 2HB PHE 10 1.387 6.802 -3.453
52 HB3 PHE 10 1HB PHE 10 2.404 8.120 -2.762
53 HD1 PHE 10 1HD PHE 10 4.831 8.215 -3.295
54 HD2 PHE 10 2HD PHE 10 2.266 5.299 -5.135
55 HE1 PHE 10 1HE PHE 10 6.549 7.793 -5.025
56 HE2 PHE 10 2HE PHE 10 3.983 4.880 -6.865
57 HZ PHE 10 HZ PHE 10 6.128 6.125 -6.813
58 H LEU 11 H LEU 11 3.060 7.949 0.039
59 HA LEU 11 HA LEU 11 0.820 7.124 1.649
60 HB2 LEU 11 2HB LEU 11 3.034 7.744 2.675
61 HB3 LEU 11 1HB LEU 11 2.835 9.407 2.044
62 HG LEU 11 HG LEU 11 0.758 9.665 3.457
63 HD11 LEU 11 1HD1 LEU 11 0.037 7.296 3.694
64 HD12 LEU 11 2HD1 LEU 11 0.311 8.036 5.310
65 HD13 LEU 11 3HD1 LEU 11 1.538 6.912 4.618
66 HD21 LEU 11 3HD2 LEU 11 2.967 10.473 4.258
67 HD22 LEU 11 1HD2 LEU 11 3.294 8.870 5.019
68 HD23 LEU 11 2HD2 LEU 11 1.942 9.901 5.627
69 H GLY 12 H GLY 12 -1.169 8.016 1.554
70 HA2 GLY 12 2HA GLY 12 -2.594 9.823 1.437
71 HA3 GLY 12 1HA GLY 12 -1.507 10.631 0.245
72 H CYS 13 H CYS 13 -1.094 7.805 -0.971
73 HA CYS 13 HA CYS 13 -3.215 8.073 -2.893
74 HB2 CYS 13 2HB CYS 13 -0.768 7.698 -3.481
75 HB3 CYS 13 1HB CYS 13 -0.890 6.052 -2.801
76 H GLY 14 H GLY 14 -1.763 5.241 -1.123
77 HA2 GLY 14 2HA GLY 14 -4.174 4.450 0.042
78 HA3 GLY 14 1HA GLY 14 -3.890 3.553 -1.517
79 H THR 15 H THR 15 -3.748 1.569 0.103
80 HA THR 15 HA THR 15 -1.417 1.455 1.633
81 HB THR 15 HB THR 15 -2.449 -0.824 2.018
82 HG1 THR 15 1HG THR 15 -4.420 -1.228 1.252
83 HG21 THR 15 3HG2 THR 15 -2.894 1.158 3.515
84 HG22 THR 15 1HG2 THR 15 -4.310 0.051 3.411
85 HG23 THR 15 2HG2 THR 15 -4.312 1.599 2.490
86 H ALA 16 H ALA 16 -0.387 -0.941 1.319
87 HA ALA 16 HA ALA 16 -0.472 -1.842 -1.430
88 HB1 ALA 16 1HB ALA 16 2.165 -1.400 0.092
89 HB2 ALA 16 2HB ALA 16 1.694 -0.622 -1.452
90 HB3 ALA 16 3HB ALA 16 2.002 -2.392 -1.408
91 H TRP 17 H TRP 17 0.251 -4.171 -1.445
92 HA TRP 17 HA TRP 17 -1.029 -5.370 0.854
93 HB2 TRP 17 2HB TRP 17 -0.079 -6.549 -1.829
94 HB3 TRP 17 1HB TRP 17 -0.953 -7.459 -0.545
95 HD1 TRP 17 HD TRP 17 -3.243 -5.313 0.156
96 HE1 TRP 17 1HE TRP 17 -5.088 -4.775 -1.512
97 HE3 TRP 17 3HE TRP 17 -0.862 -6.895 -4.059
98 HZ2 TRP 17 2HZ TRP 17 -5.510 -5.062 -4.346
99 HZ3 TRP 17 3HZ TRP 17 -2.028 -6.729 -6.232
100 HH2 TRP 17 HH TRP 17 -4.319 -5.827 -6.375
101 H ILE 18 H ILE 18 1.851 -6.393 -1.095
102 HA ILE 18 HA ILE 18 3.215 -7.022 1.419
103 HB ILE 18 HB ILE 18 4.913 -8.128 0.003
104 HG12 ILE 18 2HG1 ILE 18 2.894 -7.653 -2.294
105 HG13 ILE 18 1HG1 ILE 18 4.484 -6.833 -2.126
106 HG21 ILE 18 1HG2 ILE 18 3.507 -10.134 -0.354
107 HG22 ILE 18 2HG2 ILE 18 2.009 -9.134 -0.339
108 HG23 ILE 18 3HG2 ILE 18 3.008 -9.293 1.155
109 HD11 ILE 18 3HD1 ILE 18 5.645 -9.068 -2.252
110 HD12 ILE 18 1HD1 ILE 18 4.686 -8.680 -3.728
111 HD13 ILE 18 2HD1 ILE 18 4.048 -9.861 -2.530
112 H CYS 19 H CYS 19 5.253 -6.142 1.871
113 HA CYS 19 HA CYS 19 6.303 -4.086 0.114
114 HB2 CYS 19 2HB CYS 19 5.660 -3.622 3.106
115 HB3 CYS 19 1HB CYS 19 6.839 -2.647 2.167
116 H VAL 20 H VAL 20 6.519 -5.895 3.227
117 HA VAL 20 HA VAL 20 9.376 -6.180 2.907
118 HB VAL 20 HB VAL 20 9.268 -7.393 5.067
119 HG11 VAL 20 1HG1 VAL 20 7.866 -4.634 5.032
120 HG12 VAL 20 2HG1 VAL 20 9.645 -4.920 4.922
121 HG13 VAL 20 3HG1 VAL 20 8.746 -5.377 6.416
122 HG21 VAL 20 3HG2 VAL 20 7.124 -7.411 6.345
123 HG22 VAL 20 1HG2 VAL 20 6.950 -8.362 4.831
124 HG23 VAL 20 2HG2 VAL 20 6.242 -6.708 4.947
Start of MODEL 10
1 H1 CYS 1 H CYS 1 -0.354 1.196 -4.398
2 HA CYS 1 HA CYS 1 -2.315 2.838 -3.097
3 HB2 CYS 1 2HB CYS 1 -0.991 4.385 -4.721
4 HB3 CYS 1 1HB CYS 1 -1.755 3.481 -6.058
5 H VAL 2 H VAL 2 -2.768 0.504 -2.815
6 HA VAL 2 HA VAL 2 -4.888 -0.092 -4.736
7 HB VAL 2 HB VAL 2 -4.748 -2.513 -3.975
8 HG11 VAL 2 1HG1 VAL 2 -2.949 -3.098 -5.576
9 HG12 VAL 2 2HG1 VAL 2 -2.326 -1.409 -5.540
10 HG13 VAL 2 3HG1 VAL 2 -3.963 -1.752 -6.217
11 HG21 VAL 2 3HG2 VAL 2 -1.952 -1.625 -2.973
12 HG22 VAL 2 1HG2 VAL 2 -2.575 -3.303 -3.029
13 HG23 VAL 2 2HG2 VAL 2 -3.326 -2.114 -1.906
14 H TRP 3 H TRP 3 -6.306 -1.807 -2.907
15 HA TRP 3 HA TRP 3 -6.254 -0.333 -0.401
16 HB2 TRP 3 2HB TRP 3 -8.043 0.699 -1.915
17 HB3 TRP 3 1HB TRP 3 -8.883 -0.887 -1.886
18 HD1 TRP 3 HD TRP 3 -10.575 -1.093 0.186
19 HE1 TRP 3 1HE TRP 3 -10.923 0.153 2.411
20 HE3 TRP 3 3HE TRP 3 -6.550 2.029 -0.071
21 HZ2 TRP 3 2HZ TRP 3 -9.588 2.206 3.900
22 HZ3 TRP 3 3HZ TRP 3 -6.100 3.579 1.796
23 HH2 TRP 3 HH TRP 3 -7.600 3.671 3.754
24 H GLY 4 H GLY 4 -7.001 -1.539 1.358
25 HA2 GLY 4 2HA GLY 4 -7.570 -3.353 2.496
26 HA3 GLY 4 1HA GLY 4 -7.732 -4.304 0.967
27 H GLY 5 H GLY 5 -5.028 -2.311 2.309
28 HA2 GLY 5 2HA GLY 5 -3.299 -4.692 2.191
29 HA3 GLY 5 1HA GLY 5 -2.879 -3.030 1.618
30 H ASP 6 H ASP 6 -1.284 -4.353 3.442
31 HA ASP 6 HA ASP 6 -2.054 -3.568 6.112
32 HB2 ASP 6 2HB ASP 6 -1.078 -5.862 5.565
33 HB3 ASP 6 1HB ASP 6 0.443 -5.055 5.060
34 H CYS 7 H CYS 7 0.256 -2.730 3.495
35 HA CYS 7 HA CYS 7 1.618 -0.867 5.323
36 HB2 CYS 7 2HB CYS 7 3.625 -1.074 3.901
37 HB3 CYS 7 1HB CYS 7 3.157 -2.585 4.711
38 H THR 8 H THR 8 2.902 0.201 2.678
39 HA THR 8 HA THR 8 0.638 1.843 1.807
40 HB THR 8 HB THR 8 3.313 2.928 2.852
41 HG1 THR 8 1HG THR 8 2.175 3.651 4.560
42 HG21 THR 8 3HG2 THR 8 2.269 4.371 1.072
43 HG22 THR 8 1HG2 THR 8 2.126 5.157 2.674
44 HG23 THR 8 2HG2 THR 8 0.694 4.337 1.950
45 H ASP 9 H ASP 9 0.878 2.510 -0.401
46 HA ASP 9 HA ASP 9 3.346 1.668 -1.725
47 HB2 ASP 9 2HB ASP 9 2.249 2.534 -3.865
48 HB3 ASP 9 1HB ASP 9 1.637 1.013 -3.156
49 H PHE 10 H PHE 10 1.596 4.533 -2.670
50 HA PHE 10 HA PHE 10 3.692 6.316 -1.695
51 HB2 PHE 10 2HB PHE 10 1.164 6.826 -3.421
52 HB3 PHE 10 1HB PHE 10 2.387 8.077 -2.983
53 HD1 PHE 10 2HD PHE 10 4.822 7.665 -3.732
54 HD2 PHE 10 1HD PHE 10 1.494 5.434 -5.294
55 HE1 PHE 10 2HE PHE 10 6.185 6.996 -5.686
56 HE2 PHE 10 1HE PHE 10 2.859 4.767 -7.246
57 HZ PHE 10 HZ PHE 10 5.206 5.545 -7.444
58 H LEU 11 H LEU 11 3.168 7.894 -0.093
59 HA LEU 11 HA LEU 11 0.971 7.114 1.591
60 HB2 LEU 11 2HB LEU 11 3.230 7.674 2.540
61 HB3 LEU 11 1HB LEU 11 3.054 9.345 1.922
62 HG LEU 11 HG LEU 11 1.036 9.655 3.409
63 HD11 LEU 11 1HD1 LEU 11 0.605 8.031 5.269
64 HD12 LEU 11 2HD1 LEU 11 1.778 6.875 4.535
65 HD13 LEU 11 3HD1 LEU 11 0.259 7.304 3.662
66 HD21 LEU 11 3HD2 LEU 11 3.294 10.395 4.133
67 HD22 LEU 11 1HD2 LEU 11 3.602 8.781 4.879
68 HD23 LEU 11 2HD2 LEU 11 2.303 9.847 5.537
69 H GLY 12 H GLY 12 -1.009 8.018 1.525
70 HA2 GLY 12 2HA GLY 12 -2.335 9.942 1.547
71 HA3 GLY 12 1HA GLY 12 -1.333 10.643 0.219
72 H CYS 13 H CYS 13 -1.089 7.940 -1.088
73 HA CYS 13 HA CYS 13 -3.455 8.226 -2.678
74 HB2 CYS 13 2HB CYS 13 -1.081 7.942 -3.567
75 HB3 CYS 13 1HB CYS 13 -1.149 6.228 -3.059
76 H GLY 14 H GLY 14 -1.784 5.352 -1.123
77 HA2 GLY 14 2HA GLY 14 -4.147 4.527 0.150
78 HA3 GLY 14 1HA GLY 14 -3.894 3.635 -1.413
79 H THR 15 H THR 15 -3.730 1.672 0.194
80 HA THR 15 HA THR 15 -1.347 1.517 1.656
81 HB THR 15 HB THR 15 -2.465 -0.735 2.114
82 HG1 THR 15 1HG THR 15 -3.765 -0.903 0.373
83 HG21 THR 15 3HG2 THR 15 -4.113 1.812 2.729
84 HG22 THR 15 1HG2 THR 15 -2.661 1.265 3.647
85 HG23 THR 15 2HG2 THR 15 -4.157 0.263 3.648
86 H ALA 16 H ALA 16 -0.354 -0.877 1.340
87 HA ALA 16 HA ALA 16 -0.577 -1.802 -1.405
88 HB1 ALA 16 1HB ALA 16 1.902 -2.313 -1.500
89 HB2 ALA 16 2HB ALA 16 2.118 -1.346 0.011
90 HB3 ALA 16 3HB ALA 16 1.571 -0.548 -1.499
91 H TRP 17 H TRP 17 0.226 -4.099 -1.491
92 HA TRP 17 HA TRP 17 -0.923 -5.399 0.819
93 HB2 TRP 17 2HB TRP 17 -0.006 -6.492 -1.911
94 HB3 TRP 17 1HB TRP 17 -0.816 -7.453 -0.624
95 HD1 TRP 17 HD TRP 17 -3.205 -5.405 0.121
96 HE1 TRP 17 1HE TRP 17 -5.101 -5.006 -1.548
97 HE3 TRP 17 3HE TRP 17 -0.765 -6.857 -4.113
98 HZ2 TRP 17 2HZ TRP 17 -5.509 -5.285 -4.370
99 HZ3 TRP 17 3HZ TRP 17 -1.949 -6.754 -6.278
100 HH2 TRP 17 HH TRP 17 -4.288 -5.979 -6.407
101 H ILE 18 H ILE 18 1.895 -6.287 -1.271
102 HA ILE 18 HA ILE 18 3.316 -7.137 1.140
103 HB ILE 18 HB ILE 18 3.984 -7.605 -1.804
104 HG12 ILE 18 2HG1 ILE 18 1.868 -8.732 -1.319
105 HG13 ILE 18 1HG1 ILE 18 3.201 -9.909 -1.499
106 HG21 ILE 18 1HG2 ILE 18 5.991 -7.698 -0.351
107 HG22 ILE 18 2HG2 ILE 18 5.530 -9.363 -0.840
108 HG23 ILE 18 3HG2 ILE 18 5.142 -8.773 0.819
109 HD11 ILE 18 3HD1 ILE 18 1.692 -10.575 0.349
110 HD12 ILE 18 1HD1 ILE 18 1.954 -9.007 1.187
111 HD13 ILE 18 2HD1 ILE 18 3.319 -10.175 1.008
112 H CYS 19 H CYS 19 4.909 -5.890 1.933
113 HA CYS 19 HA CYS 19 6.324 -4.068 0.116
114 HB2 CYS 19 2HB CYS 19 5.597 -3.531 3.071
115 HB3 CYS 19 1HB CYS 19 6.781 -2.589 2.102
116 H VAL 20 H VAL 20 6.244 -5.862 3.240
117 HA VAL 20 HA VAL 20 9.113 -6.313 3.074
118 HB VAL 20 HB VAL 20 7.141 -7.265 5.213
119 HG11 VAL 20 1HG1 VAL 20 10.232 -7.122 5.076
120 HG12 VAL 20 2HG1 VAL 20 9.236 -8.627 5.059
121 HG13 VAL 20 3HG1 VAL 20 9.266 -7.585 6.525
122 HG21 VAL 20 3HG2 VAL 20 8.973 -4.772 5.084
123 HG22 VAL 20 1HG2 VAL 20 8.103 -5.353 6.552
124 HG23 VAL 20 2HG2 VAL 20 7.168 -4.774 5.132
Start of MODEL 11
1 H1 CYS 1 H CYS 1 -0.132 0.993 -4.154
2 HA CYS 1 HA CYS 1 -2.105 2.721 -2.995
3 HB2 CYS 1 2HB CYS 1 -0.718 4.160 -4.667
4 HB3 CYS 1 1HB CYS 1 -1.469 3.200 -5.972
5 H VAL 2 H VAL 2 -2.729 0.481 -2.562
6 HA VAL 2 HA VAL 2 -4.607 -0.303 -4.672
7 HB VAL 2 HB VAL 2 -4.523 -2.662 -3.794
8 HG11 VAL 2 1HG1 VAL 2 -3.410 -1.982 -5.921
9 HG12 VAL 2 2HG1 VAL 2 -2.510 -3.292 -5.072
10 HG13 VAL 2 3HG1 VAL 2 -1.897 -1.599 -5.016
11 HG21 VAL 2 3HG2 VAL 2 -1.944 -1.659 -2.410
12 HG22 VAL 2 1HG2 VAL 2 -2.494 -3.358 -2.503
13 HG23 VAL 2 2HG2 VAL 2 -3.451 -2.166 -1.555
14 H TRP 3 H TRP 3 -6.164 -1.973 -3.008
15 HA TRP 3 HA TRP 3 -6.776 -0.271 -0.695
16 HB2 TRP 3 2HB TRP 3 -8.440 0.179 -2.531
17 HB3 TRP 3 1HB TRP 3 -8.799 -1.577 -2.620
18 HD1 TRP 3 HD TRP 3 -8.950 1.277 0.132
19 HE1 TRP 3 1HE TRP 3 -10.988 0.820 1.627
20 HE3 TRP 3 3HE TRP 3 -10.454 -3.111 -1.984
21 HZ2 TRP 3 2HZ TRP 3 -12.980 -1.219 1.900
22 HZ3 TRP 3 3HZ TRP 3 -12.406 -4.297 -1.044
23 HH2 TRP 3 HH TRP 3 -13.654 -3.366 0.869
24 H GLY 4 H GLY 4 -7.247 -1.406 1.143
25 HA2 GLY 4 2HA GLY 4 -7.777 -3.069 2.464
26 HA3 GLY 4 1HA GLY 4 -7.977 -4.160 1.038
27 H GLY 5 H GLY 5 -5.279 -2.273 2.572
28 HA2 GLY 5 2HA GLY 5 -3.696 -4.740 2.702
29 HA3 GLY 5 1HA GLY 5 -3.098 -3.200 1.960
30 H ASP 6 H ASP 6 -1.680 -4.268 4.035
31 HA ASP 6 HA ASP 6 -2.632 -3.130 6.527
32 HB2 ASP 6 2HB ASP 6 -1.737 -5.516 6.363
33 HB3 ASP 6 1HB ASP 6 -0.141 -4.846 5.889
34 H CYS 7 H CYS 7 -0.134 -2.748 4.005
35 HA CYS 7 HA CYS 7 1.295 -0.790 5.667
36 HB2 CYS 7 2HB CYS 7 3.271 -1.301 4.125
37 HB3 CYS 7 1HB CYS 7 2.752 -2.570 5.252
38 H THR 8 H THR 8 2.678 0.192 3.124
39 HA THR 8 HA THR 8 0.464 1.756 2.018
40 HB THR 8 HB THR 8 3.008 2.919 3.288
41 HG1 THR 8 1HG THR 8 1.626 2.241 4.857
42 HG21 THR 8 3HG2 THR 8 0.476 4.246 2.075
43 HG22 THR 8 1HG2 THR 8 2.146 4.316 1.395
44 HG23 THR 8 2HG2 THR 8 1.779 5.117 2.958
45 H ASP 9 H ASP 9 0.903 2.435 -0.158
46 HA ASP 9 HA ASP 9 3.428 1.494 -1.278
47 HB2 ASP 9 2HB ASP 9 2.486 2.214 -3.522
48 HB3 ASP 9 1HB ASP 9 1.742 0.790 -2.735
49 H PHE 10 H PHE 10 1.813 4.312 -2.488
50 HA PHE 10 HA PHE 10 3.942 6.110 -1.665
51 HB2 PHE 10 2HB PHE 10 1.416 6.434 -3.434
52 HB3 PHE 10 1HB PHE 10 2.559 7.779 -3.080
53 HD1 PHE 10 1HD PHE 10 5.004 7.497 -3.763
54 HD2 PHE 10 2HD PHE 10 1.908 4.848 -5.134
55 HE1 PHE 10 1HE PHE 10 6.464 6.745 -5.615
56 HE2 PHE 10 2HE PHE 10 3.369 4.098 -6.985
57 HZ PHE 10 HZ PHE 10 5.649 5.045 -7.229
58 H LEU 11 H LEU 11 3.366 8.113 -0.543
59 HA LEU 11 HA LEU 11 1.536 7.559 1.587
60 HB2 LEU 11 2HB LEU 11 3.162 10.104 1.019
61 HB3 LEU 11 1HB LEU 11 2.333 9.694 2.561
62 HG LEU 11 HG LEU 11 4.709 8.188 1.301
63 HD11 LEU 11 1HD1 LEU 11 6.053 9.152 3.153
64 HD12 LEU 11 2HD1 LEU 11 4.614 10.068 3.743
65 HD13 LEU 11 3HD1 LEU 11 5.327 10.447 2.129
66 HD21 LEU 11 3HD2 LEU 11 3.316 7.741 4.021
67 HD22 LEU 11 1HD2 LEU 11 4.871 6.988 3.503
68 HD23 LEU 11 2HD2 LEU 11 3.353 6.601 2.621
69 H GLY 12 H GLY 12 -0.570 8.139 1.634
70 HA2 GLY 12 2HA GLY 12 -2.244 9.626 1.563
71 HA3 GLY 12 1HA GLY 12 -1.395 10.600 0.309
72 H CYS 13 H CYS 13 -0.920 7.731 -1.013
73 HA CYS 13 HA CYS 13 -3.190 8.049 -2.745
74 HB2 CYS 13 2HB CYS 13 -0.783 7.720 -3.512
75 HB3 CYS 13 1HB CYS 13 -0.900 6.015 -2.994
76 H GLY 14 H GLY 14 -1.644 5.134 -1.150
77 HA2 GLY 14 2HA GLY 14 -4.094 4.360 0.020
78 HA3 GLY 14 1HA GLY 14 -3.766 3.464 -1.525
79 H THR 15 H THR 15 -3.711 1.481 0.040
80 HA THR 15 HA THR 15 -1.527 1.341 1.770
81 HB THR 15 HB THR 15 -2.639 -0.910 2.108
82 HG1 THR 15 1HG THR 15 -4.562 -1.272 1.194
83 HG21 THR 15 3HG2 THR 15 -4.452 1.581 2.392
84 HG22 THR 15 1HG2 THR 15 -3.141 1.102 3.536
85 HG23 THR 15 2HG2 THR 15 -4.587 0.048 3.327
86 H ALA 16 H ALA 16 -0.620 -1.197 1.560
87 HA ALA 16 HA ALA 16 -0.250 -1.890 -1.241
88 HB1 ALA 16 1HB ALA 16 2.181 -2.465 -0.850
89 HB2 ALA 16 2HB ALA 16 2.088 -1.608 0.737
90 HB3 ALA 16 3HB ALA 16 1.869 -0.700 -0.795
91 H TRP 17 H TRP 17 0.486 -4.151 -1.403
92 HA TRP 17 HA TRP 17 -0.547 -5.757 0.836
93 HB2 TRP 17 2HB TRP 17 -0.207 -6.451 -2.152
94 HB3 TRP 17 1HB TRP 17 -0.788 -7.575 -0.873
95 HD1 TRP 17 HD TRP 17 -2.916 -5.363 0.493
96 HE1 TRP 17 1HE TRP 17 -5.087 -4.898 -0.776
97 HE3 TRP 17 3HE TRP 17 -1.416 -6.886 -4.144
98 HZ2 TRP 17 2HZ TRP 17 -6.048 -5.119 -3.459
99 HZ3 TRP 17 3HZ TRP 17 -2.995 -6.703 -6.037
100 HH2 TRP 17 HH TRP 17 -5.279 -5.832 -5.700
101 H ILE 18 H ILE 18 1.802 -5.986 -1.911
102 HA ILE 18 HA ILE 18 3.736 -7.275 -0.171
103 HB ILE 18 HB ILE 18 3.914 -6.558 -3.138
104 HG12 ILE 18 2HG1 ILE 18 3.216 -9.230 -1.764
105 HG13 ILE 18 1HG1 ILE 18 2.068 -8.182 -2.662
106 HG21 ILE 18 1HG2 ILE 18 6.148 -6.758 -1.987
107 HG22 ILE 18 2HG2 ILE 18 5.881 -8.140 -3.089
108 HG23 ILE 18 3HG2 ILE 18 5.661 -8.357 -1.313
109 HD11 ILE 18 3HD1 ILE 18 2.742 -10.025 -4.112
110 HD12 ILE 18 1HD1 ILE 18 4.485 -9.658 -3.877
111 HD13 ILE 18 2HD1 ILE 18 3.430 -8.492 -4.763
112 H CYS 19 H CYS 19 5.267 -6.092 0.861
113 HA CYS 19 HA CYS 19 6.097 -3.515 -0.146
114 HB2 CYS 19 2HB CYS 19 5.649 -2.484 2.202
115 HB3 CYS 19 1HB CYS 19 4.266 -2.653 1.077
116 H VAL 20 H VAL 20 6.066 -5.647 2.762
117 HA VAL 20 HA VAL 20 8.932 -5.369 3.024
118 HB VAL 20 HB VAL 20 8.650 -6.761 5.058
119 HG11 VAL 20 1HG1 VAL 20 8.537 -4.257 5.107
120 HG12 VAL 20 2HG1 VAL 20 7.480 -5.004 6.360
121 HG13 VAL 20 3HG1 VAL 20 6.751 -4.324 4.861
122 HG21 VAL 20 3HG2 VAL 20 6.345 -7.291 5.860
123 HG22 VAL 20 1HG2 VAL 20 6.666 -8.125 4.301
124 HG23 VAL 20 2HG2 VAL 20 5.630 -6.648 4.342
Start of MODEL 12
1 H1 CYS 1 H CYS 1 -0.438 0.974 -3.976
2 HA CYS 1 HA CYS 1 -2.014 3.382 -3.327
3 HB2 CYS 1 2HB CYS 1 -1.064 2.314 -6.045
4 HB3 CYS 1 1HB CYS 1 -2.464 3.427 -5.903
5 H VAL 2 H VAL 2 -1.986 -0.016 -3.507
6 HA VAL 2 HA VAL 2 -4.643 -0.232 -4.644
7 HB VAL 2 HB VAL 2 -4.446 -2.649 -4.095
8 HG11 VAL 2 1HG1 VAL 2 -3.737 -1.708 -6.299
9 HG12 VAL 2 2HG1 VAL 2 -2.721 -3.115 -5.814
10 HG13 VAL 2 3HG1 VAL 2 -2.068 -1.443 -5.661
11 HG21 VAL 2 3HG2 VAL 2 -2.236 -3.527 -3.312
12 HG22 VAL 2 1HG2 VAL 2 -2.965 -2.462 -2.061
13 HG23 VAL 2 2HG2 VAL 2 -1.617 -1.855 -3.100
14 H TRP 3 H TRP 3 -6.333 -1.525 -3.231
15 HA TRP 3 HA TRP 3 -6.193 -0.385 -0.522
16 HB2 TRP 3 2HB TRP 3 -7.786 0.790 -2.151
17 HB3 TRP 3 1HB TRP 3 -8.756 -0.720 -2.159
18 HD1 TRP 3 HD TRP 3 -10.603 -0.699 -0.188
19 HE1 TRP 3 1HE TRP 3 -10.927 0.591 2.008
20 HE3 TRP 3 3HE TRP 3 -6.242 1.958 -0.227
21 HZ2 TRP 3 2HZ TRP 3 -9.463 2.498 3.565
22 HZ3 TRP 3 3HZ TRP 3 -5.738 3.473 1.653
23 HH2 TRP 3 HH TRP 3 -7.324 3.744 3.524
24 H GLY 4 H GLY 4 -7.158 -1.559 1.142
25 HA2 GLY 4 2HA GLY 4 -8.028 -3.349 2.152
26 HA3 GLY 4 1HA GLY 4 -7.969 -4.297 0.613
27 H GLY 5 H GLY 5 -5.414 -2.339 2.252
28 HA2 GLY 5 2HA GLY 5 -3.790 -4.782 2.527
29 HA3 GLY 5 1HA GLY 5 -3.226 -3.185 1.885
30 H ASP 6 H ASP 6 -1.855 -4.228 3.977
31 HA ASP 6 HA ASP 6 -2.958 -3.098 6.434
32 HB2 ASP 6 2HB ASP 6 -2.179 -5.531 6.357
33 HB3 ASP 6 1HB ASP 6 -0.526 -4.948 5.971
34 H CYS 7 H CYS 7 -0.264 -2.940 4.086
35 HA CYS 7 HA CYS 7 1.188 -1.069 5.804
36 HB2 CYS 7 2HB CYS 7 3.152 -1.590 4.252
37 HB3 CYS 7 1HB CYS 7 2.559 -2.887 5.307
38 H THR 8 H THR 8 2.582 -0.226 3.066
39 HA THR 8 HA THR 8 0.508 1.631 2.183
40 HB THR 8 HB THR 8 3.249 2.508 3.249
41 HG1 THR 8 1HG THR 8 2.157 3.345 4.935
42 HG21 THR 8 3HG2 THR 8 2.198 4.819 3.043
43 HG22 THR 8 1HG2 THR 8 0.752 4.077 2.269
44 HG23 THR 8 2HG2 THR 8 2.360 4.011 1.452
45 H ASP 9 H ASP 9 0.875 2.287 -0.018
46 HA ASP 9 HA ASP 9 3.229 1.119 -1.293
47 HB2 ASP 9 2HB ASP 9 2.260 1.988 -3.468
48 HB3 ASP 9 1HB ASP 9 1.435 0.611 -2.685
49 H PHE 10 H PHE 10 1.847 4.101 -2.371
50 HA PHE 10 HA PHE 10 4.155 5.673 -1.534
51 HB2 PHE 10 2HB PHE 10 1.757 6.124 -3.432
52 HB3 PHE 10 1HB PHE 10 2.843 7.472 -2.952
53 HD1 PHE 10 2HD PHE 10 5.211 7.465 -3.664
54 HD2 PHE 10 1HD PHE 10 2.529 4.345 -4.905
55 HE1 PHE 10 2HE PHE 10 6.817 6.779 -5.418
56 HE2 PHE 10 1HE PHE 10 4.133 3.664 -6.660
57 HZ PHE 10 HZ PHE 10 6.282 4.879 -6.919
58 H LEU 11 H LEU 11 3.667 7.809 -0.535
59 HA LEU 11 HA LEU 11 1.856 7.406 1.645
60 HB2 LEU 11 2HB LEU 11 3.583 9.852 0.948
61 HB3 LEU 11 1HB LEU 11 2.748 9.555 2.513
62 HG LEU 11 HG LEU 11 5.033 7.869 1.316
63 HD11 LEU 11 1HD1 LEU 11 5.779 10.136 2.003
64 HD12 LEU 11 2HD1 LEU 11 6.450 8.867 3.094
65 HD13 LEU 11 3HD1 LEU 11 5.069 9.889 3.644
66 HD21 LEU 11 3HD2 LEU 11 3.607 6.440 2.745
67 HD22 LEU 11 1HD2 LEU 11 3.663 7.659 4.075
68 HD23 LEU 11 2HD2 LEU 11 5.161 6.787 3.576
69 H GLY 12 H GLY 12 -0.232 8.030 1.663
70 HA2 GLY 12 2HA GLY 12 -1.915 9.481 1.526
71 HA3 GLY 12 1HA GLY 12 -1.004 10.499 0.353
72 H CYS 13 H CYS 13 -0.613 7.447 -0.825
73 HA CYS 13 HA CYS 13 -2.675 7.874 -2.803
74 HB2 CYS 13 2HB CYS 13 -0.239 7.344 -3.349
75 HB3 CYS 13 1HB CYS 13 -0.502 5.699 -2.706
76 H GLY 14 H GLY 14 -1.434 5.033 -0.887
77 HA2 GLY 14 2HA GLY 14 -3.936 4.446 0.211
78 HA3 GLY 14 1HA GLY 14 -3.660 3.450 -1.285
79 H THR 15 H THR 15 -3.755 1.552 0.442
80 HA THR 15 HA THR 15 -1.467 1.278 2.010
81 HB THR 15 HB THR 15 -2.774 -0.889 2.438
82 HG1 THR 15 1HG THR 15 -4.019 -0.958 0.658
83 HG21 THR 15 3HG2 THR 15 -2.846 1.135 3.955
84 HG22 THR 15 1HG2 THR 15 -4.426 0.277 3.903
85 HG23 THR 15 2HG2 THR 15 -4.200 1.804 2.973
86 H ALA 16 H ALA 16 -0.863 -1.415 1.716
87 HA ALA 16 HA ALA 16 -0.689 -2.002 -1.119
88 HB1 ALA 16 1HB ALA 16 1.756 -2.616 -0.975
89 HB2 ALA 16 2HB ALA 16 1.813 -1.849 0.659
90 HB3 ALA 16 3HB ALA 16 1.478 -0.855 -0.799
91 H TRP 17 H TRP 17 0.017 -4.223 -1.478
92 HA TRP 17 HA TRP 17 -0.885 -5.978 0.691
93 HB2 TRP 17 2HB TRP 17 -0.523 -6.521 -2.326
94 HB3 TRP 17 1HB TRP 17 -1.128 -7.694 -1.103
95 HD1 TRP 17 HD TRP 17 -3.293 -5.638 0.335
96 HE1 TRP 17 1HE TRP 17 -5.407 -4.990 -0.958
97 HE3 TRP 17 3HE TRP 17 -1.663 -6.754 -4.371
98 HZ2 TRP 17 2HZ TRP 17 -6.284 -4.963 -3.679
99 HZ3 TRP 17 3HZ TRP 17 -3.178 -6.384 -6.286
100 HH2 TRP 17 HH TRP 17 -5.457 -5.503 -5.948
101 H ILE 18 H ILE 18 1.440 -6.046 -2.083
102 HA ILE 18 HA ILE 18 3.403 -7.399 -0.432
103 HB ILE 18 HB ILE 18 3.519 -6.576 -3.373
104 HG12 ILE 18 2HG1 ILE 18 2.843 -9.293 -2.077
105 HG13 ILE 18 1HG1 ILE 18 1.681 -8.211 -2.915
106 HG21 ILE 18 1HG2 ILE 18 5.305 -8.443 -1.657
107 HG22 ILE 18 2HG2 ILE 18 5.778 -6.819 -2.281
108 HG23 ILE 18 3HG2 ILE 18 5.484 -8.158 -3.427
109 HD11 ILE 18 3HD1 ILE 18 2.999 -8.455 -5.053
110 HD12 ILE 18 1HD1 ILE 18 2.320 -10.008 -4.440
111 HD13 ILE 18 2HD1 ILE 18 4.071 -9.653 -4.228
112 H CYS 19 H CYS 19 4.884 -6.231 0.677
113 HA CYS 19 HA CYS 19 5.811 -3.678 -0.302
114 HB2 CYS 19 2HB CYS 19 5.282 -2.570 1.965
115 HB3 CYS 19 1HB CYS 19 3.876 -2.878 0.901
116 H VAL 20 H VAL 20 7.576 -2.892 1.278
117 HA VAL 20 HA VAL 20 9.248 -5.128 1.878
118 HB VAL 20 HB VAL 20 10.213 -3.203 0.820
119 HG11 VAL 20 1HG1 VAL 20 9.486 -1.588 3.353
120 HG12 VAL 20 2HG1 VAL 20 8.705 -1.416 1.733
121 HG13 VAL 20 3HG1 VAL 20 10.447 -1.021 1.945
122 HG21 VAL 20 3HG2 VAL 20 12.173 -2.950 2.304
123 HG22 VAL 20 1HG2 VAL 20 11.586 -4.654 2.332
124 HG23 VAL 20 2HG2 VAL 20 11.235 -3.552 3.718
Start of MODEL 13
1 H1 CYS 1 H CYS 1 -0.222 1.276 -4.404
2 HA CYS 1 HA CYS 1 -2.295 3.183 -3.599
3 HB2 CYS 1 2HB CYS 1 -1.202 2.774 -6.457
4 HB3 CYS 1 1HB CYS 1 -2.758 3.593 -6.095
5 H VAL 2 H VAL 2 -2.783 0.864 -2.665
6 HA VAL 2 HA VAL 2 -4.784 -0.146 -4.524
7 HB VAL 2 HB VAL 2 -4.517 -2.478 -3.575
8 HG11 VAL 2 1HG1 VAL 2 -3.782 -1.869 -5.879
9 HG12 VAL 2 2HG1 VAL 2 -2.723 -3.124 -5.133
10 HG13 VAL 2 3HG1 VAL 2 -2.151 -1.420 -5.244
11 HG21 VAL 2 3HG2 VAL 2 -2.301 -3.084 -2.599
12 HG22 VAL 2 1HG2 VAL 2 -3.106 -1.852 -1.563
13 HG23 VAL 2 2HG2 VAL 2 -1.768 -1.377 -2.682
14 H TRP 3 H TRP 3 -6.077 -1.822 -2.597
15 HA TRP 3 HA TRP 3 -6.202 -0.195 -0.198
16 HB2 TRP 3 2HB TRP 3 -7.996 0.675 -1.797
17 HB3 TRP 3 1HB TRP 3 -8.741 -0.956 -1.760
18 HD1 TRP 3 HD TRP 3 -10.535 -1.198 0.224
19 HE1 TRP 3 1HE TRP 3 -11.091 0.111 2.368
20 HE3 TRP 3 3HE TRP 3 -6.679 2.139 0.080
21 HZ2 TRP 3 2HZ TRP 3 -9.968 2.293 3.848
22 HZ3 TRP 3 3HZ TRP 3 -6.442 3.791 1.898
23 HH2 TRP 3 HH TRP 3 -8.064 3.871 3.756
24 H GLY 4 H GLY 4 -6.686 -1.393 1.607
25 HA2 GLY 4 2HA GLY 4 -7.141 -3.158 2.854
26 HA3 GLY 4 1HA GLY 4 -7.555 -4.122 1.381
27 H GLY 5 H GLY 5 -4.685 -2.430 2.821
28 HA2 GLY 5 2HA GLY 5 -3.076 -4.832 2.327
29 HA3 GLY 5 1HA GLY 5 -2.613 -3.195 1.707
30 H ASP 6 H ASP 6 -0.760 -4.252 3.225
31 HA ASP 6 HA ASP 6 -1.304 -3.943 6.029
32 HB2 ASP 6 2HB ASP 6 1.290 -4.774 4.572
33 HB3 ASP 6 1HB ASP 6 0.987 -4.875 6.345
34 H CYS 7 H CYS 7 0.716 -2.345 3.468
35 HA CYS 7 HA CYS 7 1.595 -0.419 5.517
36 HB2 CYS 7 2HB CYS 7 3.192 -1.502 3.144
37 HB3 CYS 7 1HB CYS 7 3.753 -0.255 4.319
38 H THR 8 H THR 8 2.902 0.626 2.692
39 HA THR 8 HA THR 8 0.561 2.137 1.834
40 HB THR 8 HB THR 8 3.190 3.367 2.845
41 HG1 THR 8 1HG THR 8 2.018 4.104 4.524
42 HG21 THR 8 3HG2 THR 8 2.111 4.716 1.022
43 HG22 THR 8 1HG2 THR 8 1.923 5.543 2.596
44 HG23 THR 8 2HG2 THR 8 0.529 4.651 1.883
45 H ASP 9 H ASP 9 0.834 2.822 -0.404
46 HA ASP 9 HA ASP 9 3.327 1.972 -1.675
47 HB2 ASP 9 2HB ASP 9 2.271 2.728 -3.858
48 HB3 ASP 9 1HB ASP 9 1.668 1.225 -3.104
49 H PHE 10 H PHE 10 1.535 4.773 -2.734
50 HA PHE 10 HA PHE 10 3.546 6.624 -1.701
51 HB2 PHE 10 2HB PHE 10 1.141 6.917 -3.628
52 HB3 PHE 10 1HB PHE 10 2.085 8.325 -3.019
53 HD1 PHE 10 1HD PHE 10 4.471 8.582 -3.647
54 HD2 PHE 10 2HD PHE 10 2.082 5.398 -5.269
55 HE1 PHE 10 1HE PHE 10 6.160 8.213 -5.421
56 HE2 PHE 10 2HE PHE 10 3.768 5.034 -7.042
57 HZ PHE 10 HZ PHE 10 5.811 6.440 -7.119
58 H LEU 11 H LEU 11 2.862 8.327 -0.264
59 HA LEU 11 HA LEU 11 0.782 7.435 1.502
60 HB2 LEU 11 2HB LEU 11 2.989 8.281 2.359
61 HB3 LEU 11 1HB LEU 11 2.622 9.886 1.657
62 HG LEU 11 HG LEU 11 0.616 10.063 3.179
63 HD11 LEU 11 1HD1 LEU 11 0.404 8.511 5.136
64 HD12 LEU 11 2HD1 LEU 11 1.676 7.447 4.430
65 HD13 LEU 11 3HD1 LEU 11 0.100 7.663 3.580
66 HD21 LEU 11 3HD2 LEU 11 1.898 10.510 5.257
67 HD22 LEU 11 1HD2 LEU 11 2.795 11.081 3.800
68 HD23 LEU 11 2HD2 LEU 11 3.290 9.553 4.623
69 H GLY 12 H GLY 12 -1.274 8.161 1.500
70 HA2 GLY 12 2HA GLY 12 -2.865 9.799 1.395
71 HA3 GLY 12 1HA GLY 12 -1.906 10.697 0.160
72 H CYS 13 H CYS 13 -1.332 7.840 -1.011
73 HA CYS 13 HA CYS 13 -3.513 7.966 -2.885
74 HB2 CYS 13 2HB CYS 13 -1.067 7.754 -3.542
75 HB3 CYS 13 1HB CYS 13 -1.058 6.106 -2.855
76 H GLY 14 H GLY 14 -1.832 5.223 -1.171
77 HA2 GLY 14 2HA GLY 14 -4.185 4.281 0.033
78 HA3 GLY 14 1HA GLY 14 -3.847 3.412 -1.528
79 H THR 15 H THR 15 -3.612 1.447 0.089
80 HA THR 15 HA THR 15 -1.320 1.452 1.672
81 HB THR 15 HB THR 15 -2.261 -0.843 2.083
82 HG1 THR 15 1HG THR 15 -4.184 -1.366 1.255
83 HG21 THR 15 3HG2 THR 15 -4.217 -0.032 3.373
84 HG22 THR 15 1HG2 THR 15 -4.268 1.485 2.404
85 HG23 THR 15 2HG2 THR 15 -2.870 1.156 3.496
86 H ALA 16 H ALA 16 -0.302 -1.077 1.374
87 HA ALA 16 HA ALA 16 -0.119 -1.737 -1.437
88 HB1 ALA 16 1HB ALA 16 1.972 -0.407 -1.171
89 HB2 ALA 16 2HB ALA 16 2.337 -2.155 -1.368
90 HB3 ALA 16 3HB ALA 16 2.418 -1.393 0.263
91 H TRP 17 H TRP 17 0.221 -3.948 -1.744
92 HA TRP 17 HA TRP 17 -0.638 -5.523 0.520
93 HB2 TRP 17 2HB TRP 17 -0.129 -6.257 -2.435
94 HB3 TRP 17 1HB TRP 17 -0.806 -7.367 -1.195
95 HD1 TRP 17 HD TRP 17 -2.960 -5.182 0.063
96 HE1 TRP 17 1HE TRP 17 -5.070 -4.686 -1.292
97 HE3 TRP 17 3HE TRP 17 -1.258 -6.673 -4.504
98 HZ2 TRP 17 2HZ TRP 17 -5.921 -4.920 -4.019
99 HZ3 TRP 17 3HZ TRP 17 -2.759 -6.508 -6.461
100 HH2 TRP 17 HH TRP 17 -5.059 -5.644 -6.224
101 H ILE 18 H ILE 18 2.052 -5.417 -1.893
102 HA ILE 18 HA ILE 18 3.590 -7.330 -0.388
103 HB ILE 18 HB ILE 18 4.398 -5.627 -2.791
104 HG12 ILE 18 2HG1 ILE 18 3.344 -8.523 -2.645
105 HG13 ILE 18 1HG1 ILE 18 2.444 -7.110 -3.291
106 HG21 ILE 18 1HG2 ILE 18 6.337 -6.455 -1.406
107 HG22 ILE 18 2HG2 ILE 18 6.263 -7.317 -2.971
108 HG23 ILE 18 3HG2 ILE 18 5.673 -8.129 -1.473
109 HD11 ILE 18 3HD1 ILE 18 3.347 -8.386 -5.165
110 HD12 ILE 18 1HD1 ILE 18 5.015 -8.311 -4.497
111 HD13 ILE 18 2HD1 ILE 18 4.206 -6.803 -5.072
112 H CYS 19 H CYS 19 4.707 -6.739 1.371
113 HA CYS 19 HA CYS 19 6.002 -4.152 1.490
114 HB2 CYS 19 2HB CYS 19 3.728 -3.802 2.536
115 HB3 CYS 19 1HB CYS 19 4.033 -5.165 3.655
116 H VAL 20 H VAL 20 5.123 -7.249 3.124
117 HA VAL 20 HA VAL 20 7.738 -7.467 4.291
118 HB VAL 20 HB VAL 20 5.849 -8.141 5.612
119 HG11 VAL 20 1HG1 VAL 20 5.264 -10.288 3.465
120 HG12 VAL 20 2HG1 VAL 20 4.267 -8.815 3.785
121 HG13 VAL 20 3HG1 VAL 20 4.437 -10.085 5.046
122 HG21 VAL 20 3HG2 VAL 20 7.572 -10.563 4.757
123 HG22 VAL 20 1HG2 VAL 20 6.703 -10.351 6.318
124 HG23 VAL 20 2HG2 VAL 20 8.074 -9.258 5.899
Start of MODEL 14
1 H1 CYS 1 H CYS 1 -0.337 1.287 -4.492
2 HA CYS 1 HA CYS 1 -2.332 3.239 -3.598
3 HB2 CYS 1 2HB CYS 1 -1.282 2.887 -6.480
4 HB3 CYS 1 1HB CYS 1 -2.795 3.765 -6.068
5 H VAL 2 H VAL 2 -2.871 0.871 -2.757
6 HA VAL 2 HA VAL 2 -4.966 0.054 -4.609
7 HB VAL 2 HB VAL 2 -4.807 -2.325 -3.788
8 HG11 VAL 2 1HG1 VAL 2 -3.058 -2.987 -5.392
9 HG12 VAL 2 2HG1 VAL 2 -2.396 -1.313 -5.423
10 HG13 VAL 2 3HG1 VAL 2 -4.052 -1.641 -6.064
11 HG21 VAL 2 3HG2 VAL 2 -1.995 -1.428 -2.872
12 HG22 VAL 2 1HG2 VAL 2 -2.631 -3.106 -2.854
13 HG23 VAL 2 2HG2 VAL 2 -3.346 -1.872 -1.757
14 H TRP 3 H TRP 3 -6.271 -1.660 -2.701
15 HA TRP 3 HA TRP 3 -6.274 -0.105 -0.250
16 HB2 TRP 3 2HB TRP 3 -8.085 0.863 -1.765
17 HB3 TRP 3 1HB TRP 3 -8.876 -0.750 -1.756
18 HD1 TRP 3 HD TRP 3 -10.635 -0.986 0.254
19 HE1 TRP 3 1HE TRP 3 -11.083 0.253 2.464
20 HE3 TRP 3 3HE TRP 3 -6.655 2.205 0.141
21 HZ2 TRP 3 2HZ TRP 3 -9.839 2.326 4.000
22 HZ3 TRP 3 3HZ TRP 3 -6.306 3.768 2.019
23 HH2 TRP 3 HH TRP 3 -7.877 3.834 3.921
24 H GLY 4 H GLY 4 -6.852 -1.326 1.539
25 HA2 GLY 4 2HA GLY 4 -7.466 -3.104 2.709
26 HA3 GLY 4 1HA GLY 4 -7.728 -4.054 1.193
27 H GLY 5 H GLY 5 -4.944 -2.280 2.713
28 HA2 GLY 5 2HA GLY 5 -3.397 -4.763 2.703
29 HA3 GLY 5 1HA GLY 5 -2.807 -3.256 1.883
30 H ASP 6 H ASP 6 -1.307 -4.343 3.925
31 HA ASP 6 HA ASP 6 -2.051 -3.042 6.417
32 HB2 ASP 6 2HB ASP 6 0.310 -4.889 5.673
33 HB3 ASP 6 1HB ASP 6 -0.059 -4.291 7.335
34 H CYS 7 H CYS 7 0.200 -2.810 3.685
35 HA CYS 7 HA CYS 7 1.907 -0.932 5.147
36 HB2 CYS 7 2HB CYS 7 2.324 -2.533 2.578
37 HB3 CYS 7 1HB CYS 7 3.547 -1.410 3.284
38 H THR 8 H THR 8 2.897 0.221 2.544
39 HA THR 8 HA THR 8 0.591 1.831 1.756
40 HB THR 8 HB THR 8 3.271 2.932 2.770
41 HG1 THR 8 1HG THR 8 2.155 3.610 4.513
42 HG21 THR 8 3HG2 THR 8 0.621 4.326 1.936
43 HG22 THR 8 1HG2 THR 8 2.184 4.397 1.040
44 HG23 THR 8 2HG2 THR 8 2.051 5.149 2.659
45 H ASP 9 H ASP 9 0.837 2.612 -0.448
46 HA ASP 9 HA ASP 9 3.276 1.750 -1.814
47 HB2 ASP 9 2HB ASP 9 2.201 2.672 -3.930
48 HB3 ASP 9 1HB ASP 9 1.582 1.139 -3.261
49 H PHE 10 H PHE 10 1.557 4.662 -2.684
50 HA PHE 10 HA PHE 10 3.657 6.379 -1.582
51 HB2 PHE 10 2HB PHE 10 1.270 6.878 -3.490
52 HB3 PHE 10 1HB PHE 10 2.290 8.202 -2.821
53 HD1 PHE 10 1HD PHE 10 4.698 8.337 -3.430
54 HD2 PHE 10 2HD PHE 10 2.112 5.405 -5.217
55 HE1 PHE 10 1HE PHE 10 6.363 7.957 -5.222
56 HE2 PHE 10 2HE PHE 10 3.775 5.029 -7.008
57 HZ PHE 10 HZ PHE 10 5.905 6.304 -7.014
58 H LEU 11 H LEU 11 3.042 8.032 -0.061
59 HA LEU 11 HA LEU 11 0.898 7.157 1.641
60 HB2 LEU 11 2HB LEU 11 3.137 7.842 2.565
61 HB3 LEU 11 1HB LEU 11 2.864 9.497 1.939
62 HG LEU 11 HG LEU 11 0.846 9.703 3.445
63 HD11 LEU 11 1HD1 LEU 11 0.531 8.071 5.321
64 HD12 LEU 11 2HD1 LEU 11 1.759 6.979 4.580
65 HD13 LEU 11 3HD1 LEU 11 0.207 7.314 3.723
66 HD21 LEU 11 3HD2 LEU 11 3.065 10.578 4.139
67 HD22 LEU 11 1HD2 LEU 11 3.473 8.990 4.891
68 HD23 LEU 11 2HD2 LEU 11 2.122 9.984 5.557
69 H GLY 12 H GLY 12 -1.117 7.994 1.645
70 HA2 GLY 12 2HA GLY 12 -2.605 9.740 1.600
71 HA3 GLY 12 1HA GLY 12 -1.589 10.611 0.390
72 H CYS 13 H CYS 13 -1.151 7.802 -0.890
73 HA CYS 13 HA CYS 13 -3.334 8.074 -2.743
74 HB2 CYS 13 2HB CYS 13 -0.901 7.770 -3.416
75 HB3 CYS 13 1HB CYS 13 -0.965 6.104 -2.775
76 H GLY 14 H GLY 14 -1.773 5.220 -1.102
77 HA2 GLY 14 2HA GLY 14 -4.147 4.346 0.095
78 HA3 GLY 14 1HA GLY 14 -3.871 3.505 -1.494
79 H THR 15 H THR 15 -3.689 1.488 0.080
80 HA THR 15 HA THR 15 -1.353 1.369 1.594
81 HB THR 15 HB THR 15 -2.371 -0.892 1.994
82 HG1 THR 15 1HG THR 15 -4.317 -1.346 1.190
83 HG21 THR 15 3HG2 THR 15 -4.292 -0.026 3.316
84 HG22 THR 15 1HG2 THR 15 -4.289 1.505 2.373
85 HG23 THR 15 2HG2 THR 15 -2.895 1.103 3.445
86 H ALA 16 H ALA 16 -0.331 -1.090 1.223
87 HA ALA 16 HA ALA 16 -0.443 -1.865 -1.544
88 HB1 ALA 16 1HB ALA 16 1.614 -0.520 -1.677
89 HB2 ALA 16 2HB ALA 16 2.005 -2.268 -1.781
90 HB3 ALA 16 3HB ALA 16 2.296 -1.361 -0.251
91 H TRP 17 H TRP 17 0.091 -4.079 -1.806
92 HA TRP 17 HA TRP 17 -0.669 -5.552 0.570
93 HB2 TRP 17 2HB TRP 17 -0.361 -6.423 -2.372
94 HB3 TRP 17 1HB TRP 17 -0.999 -7.445 -1.036
95 HD1 TRP 17 HD TRP 17 -3.081 -5.311 0.269
96 HE1 TRP 17 1HE TRP 17 -5.209 -4.704 -1.023
97 HE3 TRP 17 3HE TRP 17 -1.519 -6.636 -4.403
98 HZ2 TRP 17 2HZ TRP 17 -6.124 -4.797 -3.730
99 HZ3 TRP 17 3HZ TRP 17 -3.060 -6.350 -6.312
100 HH2 TRP 17 HH TRP 17 -5.332 -5.445 -5.984
101 H ILE 18 H ILE 18 1.798 -5.736 -2.080
102 HA ILE 18 HA ILE 18 3.324 -7.651 -0.591
103 HB ILE 18 HB ILE 18 3.992 -6.239 -3.214
104 HG12 ILE 18 2HG1 ILE 18 2.653 -8.966 -2.682
105 HG13 ILE 18 1HG1 ILE 18 1.840 -7.509 -3.345
106 HG21 ILE 18 1HG2 ILE 18 5.995 -7.190 -2.007
107 HG22 ILE 18 2HG2 ILE 18 5.621 -8.150 -3.467
108 HG23 ILE 18 3HG2 ILE 18 5.145 -8.773 -1.844
109 HD11 ILE 18 3HD1 ILE 18 3.383 -7.558 -5.341
110 HD12 ILE 18 1HD1 ILE 18 2.347 -9.025 -5.186
111 HD13 ILE 18 2HD1 ILE 18 4.084 -9.106 -4.728
112 H CYS 19 H CYS 19 4.580 -7.016 1.048
113 HA CYS 19 HA CYS 19 6.462 -4.888 0.674
114 HB2 CYS 19 2HB CYS 19 5.905 -3.872 2.979
115 HB3 CYS 19 1HB CYS 19 4.775 -3.476 1.648
116 H VAL 20 H VAL 20 8.032 -4.957 2.562
117 HA VAL 20 HA VAL 20 8.546 -7.722 3.207
118 HB VAL 20 HB VAL 20 10.152 -5.243 4.010
119 HG11 VAL 20 1HG1 VAL 20 10.577 -7.249 5.445
120 HG12 VAL 20 2HG1 VAL 20 11.965 -6.957 4.341
121 HG13 VAL 20 3HG1 VAL 20 10.790 -8.274 3.975
122 HG21 VAL 20 3HG2 VAL 20 11.627 -5.921 2.075
123 HG22 VAL 20 1HG2 VAL 20 9.999 -5.393 1.525
124 HG23 VAL 20 2HG2 VAL 20 10.404 -7.152 1.585
Start of MODEL 15
1 H1 CYS 1 H CYS 1 0.058 0.975 -4.238
2 HA CYS 1 HA CYS 1 -1.990 2.968 -3.592
3 HB2 CYS 1 2HB CYS 1 -0.707 2.489 -6.359
4 HB3 CYS 1 1HB CYS 1 -2.248 3.380 -6.116
5 H VAL 2 H VAL 2 -2.634 0.679 -2.686
6 HA VAL 2 HA VAL 2 -4.559 -0.241 -4.672
7 HB VAL 2 HB VAL 2 -4.507 -2.563 -3.676
8 HG11 VAL 2 1HG1 VAL 2 -2.625 -3.345 -5.058
9 HG12 VAL 2 2HG1 VAL 2 -1.941 -1.681 -5.142
10 HG13 VAL 2 3HG1 VAL 2 -3.534 -2.044 -5.913
11 HG21 VAL 2 3HG2 VAL 2 -3.246 -1.986 -1.553
12 HG22 VAL 2 1HG2 VAL 2 -1.790 -1.603 -2.555
13 HG23 VAL 2 2HG2 VAL 2 -2.424 -3.279 -2.497
14 H TRP 3 H TRP 3 -6.101 -1.782 -2.829
15 HA TRP 3 HA TRP 3 -6.252 -0.133 -0.448
16 HB2 TRP 3 2HB TRP 3 -7.892 0.838 -2.152
17 HB3 TRP 3 1HB TRP 3 -8.752 -0.737 -2.131
18 HD1 TRP 3 HD TRP 3 -10.633 -0.837 -0.216
19 HE1 TRP 3 1HE TRP 3 -11.175 0.521 1.901
20 HE3 TRP 3 3HE TRP 3 -6.566 2.241 -0.243
21 HZ2 TRP 3 2HZ TRP 3 -9.967 2.638 3.405
22 HZ3 TRP 3 3HZ TRP 3 -6.282 3.884 1.577
23 HH2 TRP 3 HH TRP 3 -7.960 4.085 3.375
24 H GLY 4 H GLY 4 -7.003 -1.266 1.327
25 HA2 GLY 4 2HA GLY 4 -7.744 -2.987 2.513
26 HA3 GLY 4 1HA GLY 4 -7.933 -3.983 1.015
27 H GLY 5 H GLY 5 -5.222 -2.228 2.691
28 HA2 GLY 5 2HA GLY 5 -3.706 -4.734 2.764
29 HA3 GLY 5 1HA GLY 5 -3.065 -3.219 2.000
30 H ASP 6 H ASP 6 -1.646 -4.304 4.061
31 HA ASP 6 HA ASP 6 -2.539 -3.152 6.562
32 HB2 ASP 6 2HB ASP 6 -1.656 -5.542 6.375
33 HB3 ASP 6 1HB ASP 6 -0.063 -4.874 5.889
34 H CYS 7 H CYS 7 -0.071 -2.778 4.009
35 HA CYS 7 HA CYS 7 1.371 -0.807 5.645
36 HB2 CYS 7 2HB CYS 7 3.332 -1.318 4.076
37 HB3 CYS 7 1HB CYS 7 2.842 -2.568 5.238
38 H THR 8 H THR 8 2.725 0.195 3.114
39 HA THR 8 HA THR 8 0.483 1.737 2.025
40 HB THR 8 HB THR 8 3.053 2.909 3.226
41 HG1 THR 8 1HG THR 8 1.786 3.630 4.840
42 HG21 THR 8 3HG2 THR 8 2.103 4.298 1.356
43 HG22 THR 8 1HG2 THR 8 1.813 5.101 2.929
44 HG23 THR 8 2HG2 THR 8 0.467 4.227 2.113
45 H ASP 9 H ASP 9 0.896 2.431 -0.170
46 HA ASP 9 HA ASP 9 3.445 1.541 -1.293
47 HB2 ASP 9 2HB ASP 9 2.551 2.346 -3.526
48 HB3 ASP 9 1HB ASP 9 1.851 0.860 -2.825
49 H PHE 10 H PHE 10 1.799 4.408 -2.411
50 HA PHE 10 HA PHE 10 3.850 6.163 -1.284
51 HB2 PHE 10 2HB PHE 10 1.606 6.557 -3.378
52 HB3 PHE 10 1HB PHE 10 2.585 7.921 -2.724
53 HD1 PHE 10 2HD PHE 10 5.016 8.035 -3.191
54 HD2 PHE 10 1HD PHE 10 2.577 4.944 -4.915
55 HE1 PHE 10 2HE PHE 10 6.803 7.536 -4.830
56 HE2 PHE 10 1HE PHE 10 4.362 4.448 -6.552
57 HZ PHE 10 HZ PHE 10 6.479 5.742 -6.513
58 H LEU 11 H LEU 11 3.150 7.991 -0.005
59 HA LEU 11 HA LEU 11 0.939 7.286 1.712
60 HB2 LEU 11 2HB LEU 11 3.017 9.547 1.810
61 HB3 LEU 11 1HB LEU 11 1.628 9.430 2.942
62 HG LEU 11 HG LEU 11 2.420 7.186 3.703
63 HD11 LEU 11 1HD1 LEU 11 4.978 7.834 2.098
64 HD12 LEU 11 2HD1 LEU 11 3.886 6.412 1.871
65 HD13 LEU 11 3HD1 LEU 11 4.844 6.572 3.381
66 HD21 LEU 11 3HD2 LEU 11 4.193 8.102 5.184
67 HD22 LEU 11 1HD2 LEU 11 2.838 9.273 4.981
68 HD23 LEU 11 2HD2 LEU 11 4.388 9.526 4.094
69 H GLY 12 H GLY 12 -1.068 8.117 1.543
70 HA2 GLY 12 2HA GLY 12 -2.571 9.797 1.233
71 HA3 GLY 12 1HA GLY 12 -1.480 10.606 0.046
72 H CYS 13 H CYS 13 -0.978 7.680 -0.999
73 HA CYS 13 HA CYS 13 -3.002 7.872 -3.035
74 HB2 CYS 13 2HB CYS 13 -0.532 7.485 -3.496
75 HB3 CYS 13 1HB CYS 13 -0.682 5.861 -2.763
76 H GLY 14 H GLY 14 -1.633 5.078 -1.146
77 HA2 GLY 14 2HA GLY 14 -4.108 4.325 -0.068
78 HA3 GLY 14 1HA GLY 14 -3.743 3.395 -1.589
79 H THR 15 H THR 15 -3.704 1.449 0.077
80 HA THR 15 HA THR 15 -1.494 1.371 1.770
81 HB THR 15 HB THR 15 -2.579 -0.875 2.179
82 HG1 THR 15 1HG THR 15 -3.555 -1.220 0.260
83 HG21 THR 15 3HG2 THR 15 -4.549 0.078 3.354
84 HG22 THR 15 1HG2 THR 15 -4.450 1.579 2.366
85 HG23 THR 15 2HG2 THR 15 -3.133 1.176 3.532
86 H ALA 16 H ALA 16 -0.605 -1.195 1.565
87 HA ALA 16 HA ALA 16 -0.219 -1.885 -1.233
88 HB1 ALA 16 1HB ALA 16 1.909 -0.730 -0.766
89 HB2 ALA 16 2HB ALA 16 2.193 -2.500 -0.817
90 HB3 ALA 16 3HB ALA 16 2.100 -1.641 0.770
91 H TRP 17 H TRP 17 0.347 -4.155 -1.436
92 HA TRP 17 HA TRP 17 -0.749 -5.733 0.782
93 HB2 TRP 17 2HB TRP 17 -0.308 -6.428 -2.188
94 HB3 TRP 17 1HB TRP 17 -0.955 -7.549 -0.939
95 HD1 TRP 17 HD TRP 17 -3.054 -5.281 0.379
96 HE1 TRP 17 1HE TRP 17 -5.181 -4.750 -0.941
97 HE3 TRP 17 3HE TRP 17 -1.500 -6.873 -4.213
98 HZ2 TRP 17 2HZ TRP 17 -6.091 -4.967 -3.642
99 HZ3 TRP 17 3HZ TRP 17 -3.035 -6.667 -6.139
100 HH2 TRP 17 HH TRP 17 -5.299 -5.728 -5.859
101 H ILE 18 H ILE 18 1.689 -6.206 -1.858
102 HA ILE 18 HA ILE 18 3.542 -7.297 0.086
103 HB ILE 18 HB ILE 18 3.326 -8.510 -2.005
104 HG12 ILE 18 2HG1 ILE 18 5.699 -8.580 -2.736
105 HG13 ILE 18 1HG1 ILE 18 6.057 -7.091 -1.807
106 HG21 ILE 18 1HG2 ILE 18 4.281 -5.935 -3.415
107 HG22 ILE 18 2HG2 ILE 18 2.608 -6.612 -3.472
108 HG23 ILE 18 3HG2 ILE 18 3.980 -7.536 -4.174
109 HD11 ILE 18 3HD1 ILE 18 5.521 -8.286 0.338
110 HD12 ILE 18 1HD1 ILE 18 6.764 -9.184 -0.602
111 HD13 ILE 18 2HD1 ILE 18 5.055 -9.759 -0.595
112 H CYS 19 H CYS 19 5.294 -6.188 0.841
113 HA CYS 19 HA CYS 19 6.012 -3.620 -0.242
114 HB2 CYS 19 2HB CYS 19 5.754 -2.571 2.146
115 HB3 CYS 19 1HB CYS 19 4.315 -2.691 1.090
116 H VAL 20 H VAL 20 6.218 -5.558 2.791
117 HA VAL 20 HA VAL 20 9.110 -5.350 2.729
118 HB VAL 20 HB VAL 20 7.337 -6.840 4.733
119 HG11 VAL 20 1HG1 VAL 20 9.413 -6.685 6.149
120 HG12 VAL 20 2HG1 VAL 20 10.302 -5.940 4.767
121 HG13 VAL 20 3HG1 VAL 20 9.709 -7.641 4.654
122 HG21 VAL 20 3HG2 VAL 20 7.738 -4.806 6.175
123 HG22 VAL 20 1HG2 VAL 20 6.752 -4.418 4.727
124 HG23 VAL 20 2HG2 VAL 20 8.501 -3.971 4.772
Start of MODEL 16
1 H1 CYS 1 H CYS 1 -0.329 1.177 -4.392
2 HA CYS 1 HA CYS 1 -2.226 3.242 -3.542
3 HB2 CYS 1 2HB CYS 1 -1.153 2.822 -6.407
4 HB3 CYS 1 1HB CYS 1 -2.608 3.799 -6.014
5 H VAL 2 H VAL 2 -2.924 0.900 -2.714
6 HA VAL 2 HA VAL 2 -4.959 0.137 -4.663
7 HB VAL 2 HB VAL 2 -4.889 -2.247 -3.878
8 HG11 VAL 2 1HG1 VAL 2 -3.044 -2.925 -5.361
9 HG12 VAL 2 2HG1 VAL 2 -2.344 -1.269 -5.316
10 HG13 VAL 2 3HG1 VAL 2 -3.954 -1.546 -6.082
11 HG21 VAL 2 3HG2 VAL 2 -3.574 -1.853 -1.739
12 HG22 VAL 2 1HG2 VAL 2 -2.135 -1.423 -2.745
13 HG23 VAL 2 2HG2 VAL 2 -2.803 -3.085 -2.799
14 H TRP 3 H TRP 3 -6.464 -1.482 -3.012
15 HA TRP 3 HA TRP 3 -6.765 0.045 -0.524
16 HB2 TRP 3 2HB TRP 3 -8.543 0.763 -2.157
17 HB3 TRP 3 1HB TRP 3 -9.031 -0.951 -2.361
18 HD1 TRP 3 HD TRP 3 -8.732 1.637 0.634
19 HE1 TRP 3 1HE TRP 3 -10.655 1.173 2.270
20 HE3 TRP 3 3HE TRP 3 -10.741 -2.417 -1.714
21 HZ2 TRP 3 2HZ TRP 3 -12.760 -0.747 2.548
22 HZ3 TRP 3 3HZ TRP 3 -12.683 -3.559 -0.698
23 HH2 TRP 3 HH TRP 3 -13.681 -2.737 1.402
24 H GLY 4 H GLY 4 -7.296 -1.227 1.241
25 HA2 GLY 4 2HA GLY 4 -7.770 -2.991 2.442
26 HA3 GLY 4 1HA GLY 4 -8.109 -3.934 0.937
27 H GLY 5 H GLY 5 -5.251 -2.283 2.435
28 HA2 GLY 5 2HA GLY 5 -3.730 -4.780 2.153
29 HA3 GLY 5 1HA GLY 5 -3.154 -3.168 1.565
30 H ASP 6 H ASP 6 -1.576 -4.517 3.271
31 HA ASP 6 HA ASP 6 -2.239 -3.934 6.016
32 HB2 ASP 6 2HB ASP 6 0.223 -5.294 4.733
33 HB3 ASP 6 1HB ASP 6 -0.139 -5.234 6.500
34 H CYS 7 H CYS 7 0.011 -2.874 3.435
35 HA CYS 7 HA CYS 7 1.336 -1.085 5.361
36 HB2 CYS 7 2HB CYS 7 3.397 -1.285 3.980
37 HB3 CYS 7 1HB CYS 7 2.908 -2.783 4.799
38 H THR 8 H THR 8 2.705 -0.023 2.733
39 HA THR 8 HA THR 8 0.491 1.678 1.851
40 HB THR 8 HB THR 8 3.180 2.665 2.961
41 HG1 THR 8 1HG THR 8 2.026 3.405 4.651
42 HG21 THR 8 3HG2 THR 8 2.237 4.170 1.182
43 HG22 THR 8 1HG2 THR 8 2.074 4.937 2.792
44 HG23 THR 8 2HG2 THR 8 0.637 4.178 2.011
45 H ASP 9 H ASP 9 0.832 2.441 -0.341
46 HA ASP 9 HA ASP 9 3.254 1.448 -1.640
47 HB2 ASP 9 2HB ASP 9 2.277 2.401 -3.786
48 HB3 ASP 9 1HB ASP 9 1.546 0.919 -3.110
49 H PHE 10 H PHE 10 1.717 4.447 -2.561
50 HA PHE 10 HA PHE 10 3.885 6.050 -1.415
51 HB2 PHE 10 2HB PHE 10 1.585 6.672 -3.392
52 HB3 PHE 10 1HB PHE 10 2.660 7.942 -2.699
53 HD1 PHE 10 2HD PHE 10 5.092 7.929 -3.235
54 HD2 PHE 10 1HD PHE 10 2.387 5.154 -5.096
55 HE1 PHE 10 2HE PHE 10 6.781 7.447 -4.977
56 HE2 PHE 10 1HE PHE 10 4.076 4.676 -6.838
57 HZ PHE 10 HZ PHE 10 6.277 5.820 -6.782
58 H LEU 11 H LEU 11 3.323 7.741 0.085
59 HA LEU 11 HA LEU 11 1.087 6.989 1.729
60 HB2 LEU 11 2HB LEU 11 3.335 7.547 2.712
61 HB3 LEU 11 1HB LEU 11 3.171 9.214 2.081
62 HG LEU 11 HG LEU 11 1.130 9.535 3.534
63 HD11 LEU 11 1HD1 LEU 11 0.345 7.187 3.788
64 HD12 LEU 11 2HD1 LEU 11 0.669 7.921 5.397
65 HD13 LEU 11 3HD1 LEU 11 1.852 6.761 4.685
66 HD21 LEU 11 3HD2 LEU 11 2.362 9.738 5.680
67 HD22 LEU 11 1HD2 LEU 11 3.377 10.278 4.290
68 HD23 LEU 11 2HD2 LEU 11 3.670 8.668 5.050
69 H GLY 12 H GLY 12 -0.878 7.936 1.679
70 HA2 GLY 12 2HA GLY 12 -2.268 9.757 1.595
71 HA3 GLY 12 1HA GLY 12 -1.170 10.579 0.424
72 H CYS 13 H CYS 13 -0.856 7.743 -0.851
73 HA CYS 13 HA CYS 13 -2.953 8.151 -2.777
74 HB2 CYS 13 2HB CYS 13 -0.522 7.701 -3.370
75 HB3 CYS 13 1HB CYS 13 -0.705 6.043 -2.732
76 H GLY 14 H GLY 14 -1.619 5.210 -1.092
77 HA2 GLY 14 2HA GLY 14 -4.090 4.480 0.011
78 HA3 GLY 14 1HA GLY 14 -3.783 3.607 -1.557
79 H THR 15 H THR 15 -3.778 1.606 0.041
80 HA THR 15 HA THR 15 -1.502 1.370 1.644
81 HB THR 15 HB THR 15 -2.643 -0.866 1.965
82 HG1 THR 15 1HG THR 15 -4.655 0.357 0.424
83 HG21 THR 15 3HG2 THR 15 -4.476 0.060 3.356
84 HG22 THR 15 1HG2 THR 15 -4.376 1.634 2.484
85 HG23 THR 15 2HG2 THR 15 -3.000 1.081 3.509
86 H ALA 16 H ALA 16 -0.611 -1.105 1.336
87 HA ALA 16 HA ALA 16 -0.622 -1.961 -1.415
88 HB1 ALA 16 1HB ALA 16 1.851 -2.507 -1.389
89 HB2 ALA 16 2HB ALA 16 2.007 -1.536 0.127
90 HB3 ALA 16 3HB ALA 16 1.544 -0.737 -1.412
91 H TRP 17 H TRP 17 0.132 -4.278 -1.453
92 HA TRP 17 HA TRP 17 -1.148 -5.520 0.829
93 HB2 TRP 17 2HB TRP 17 -0.223 -6.655 -1.879
94 HB3 TRP 17 1HB TRP 17 -1.112 -7.571 -0.609
95 HD1 TRP 17 HD TRP 17 -3.390 -5.453 0.130
96 HE1 TRP 17 1HE TRP 17 -5.209 -4.820 -1.542
97 HE3 TRP 17 3HE TRP 17 -0.967 -6.860 -4.125
98 HZ2 TRP 17 2HZ TRP 17 -5.592 -4.964 -4.387
99 HZ3 TRP 17 3HZ TRP 17 -2.098 -6.577 -6.303
100 HH2 TRP 17 HH TRP 17 -4.378 -5.644 -6.434
101 H ILE 18 H ILE 18 1.708 -6.483 -1.174
102 HA ILE 18 HA ILE 18 3.017 -7.389 1.283
103 HB ILE 18 HB ILE 18 3.765 -7.869 -1.640
104 HG12 ILE 18 2HG1 ILE 18 1.604 -8.938 -1.224
105 HG13 ILE 18 1HG1 ILE 18 2.907 -10.152 -1.364
106 HG21 ILE 18 1HG2 ILE 18 5.225 -9.679 -0.631
107 HG22 ILE 18 2HG2 ILE 18 4.815 -9.069 1.015
108 HG23 ILE 18 3HG2 ILE 18 5.726 -8.027 -0.139
109 HD11 ILE 18 3HD1 ILE 18 1.325 -10.777 0.434
110 HD12 ILE 18 1HD1 ILE 18 1.600 -9.217 1.282
111 HD13 ILE 18 2HD1 ILE 18 2.938 -10.422 1.146
112 H CYS 19 H CYS 19 4.675 -6.229 2.115
113 HA CYS 19 HA CYS 19 6.177 -4.442 0.341
114 HB2 CYS 19 2HB CYS 19 5.352 -3.861 3.256
115 HB3 CYS 19 1HB CYS 19 6.585 -2.936 2.337
116 H VAL 20 H VAL 20 8.410 -4.121 1.258
117 HA VAL 20 HA VAL 20 9.392 -6.669 2.179
118 HB VAL 20 HB VAL 20 11.637 -5.686 1.825
119 HG11 VAL 20 1HG1 VAL 20 10.404 -6.927 0.033
120 HG12 VAL 20 2HG1 VAL 20 11.454 -5.631 -0.648
121 HG13 VAL 20 3HG1 VAL 20 9.672 -5.383 -0.548
122 HG21 VAL 20 3HG2 VAL 20 11.078 -3.284 2.352
123 HG22 VAL 20 1HG2 VAL 20 10.053 -3.191 0.871
124 HG23 VAL 20 2HG2 VAL 20 11.826 -3.451 0.727
Start of MODEL 17
1 H1 CYS 1 H CYS 1 -0.503 1.251 -4.329
2 HA CYS 1 HA CYS 1 -2.393 2.902 -2.961
3 HB2 CYS 1 2HB CYS 1 -1.134 4.454 -4.641
4 HB3 CYS 1 1HB CYS 1 -1.985 3.569 -5.939
5 H VAL 2 H VAL 2 -2.967 0.643 -2.616
6 HA VAL 2 HA VAL 2 -5.023 -0.016 -4.586
7 HB VAL 2 HB VAL 2 -4.848 -2.435 -3.845
8 HG11 VAL 2 1HG1 VAL 2 -4.019 -1.640 -6.056
9 HG12 VAL 2 2HG1 VAL 2 -3.005 -2.977 -5.399
10 HG13 VAL 2 3HG1 VAL 2 -2.405 -1.279 -5.335
11 HG21 VAL 2 3HG2 VAL 2 -3.490 -2.033 -1.736
12 HG22 VAL 2 1HG2 VAL 2 -2.101 -1.498 -2.761
13 HG23 VAL 2 2HG2 VAL 2 -2.682 -3.189 -2.853
14 H TRP 3 H TRP 3 -6.371 -1.829 -2.776
15 HA TRP 3 HA TRP 3 -6.474 -0.366 -0.271
16 HB2 TRP 3 2HB TRP 3 -8.279 0.609 -1.791
17 HB3 TRP 3 1HB TRP 3 -9.017 -1.024 -1.871
18 HD1 TRP 3 HD TRP 3 -10.837 -1.391 0.064
19 HE1 TRP 3 1HE TRP 3 -11.391 -0.259 2.305
20 HE3 TRP 3 3HE TRP 3 -6.942 1.902 0.222
21 HZ2 TRP 3 2HZ TRP 3 -10.256 1.780 3.968
22 HZ3 TRP 3 3HZ TRP 3 -6.701 3.394 2.173
23 HH2 TRP 3 HH TRP 3 -8.336 3.337 4.021
24 H GLY 4 H GLY 4 -7.021 -1.669 1.456
25 HA2 GLY 4 2HA GLY 4 -7.532 -3.519 2.561
26 HA3 GLY 4 1HA GLY 4 -7.791 -4.413 1.010
27 H GLY 5 H GLY 5 -5.037 -2.560 2.474
28 HA2 GLY 5 2HA GLY 5 -3.350 -4.953 2.234
29 HA3 GLY 5 1HA GLY 5 -2.889 -3.322 1.590
30 H ASP 6 H ASP 6 -1.232 -4.481 3.428
31 HA ASP 6 HA ASP 6 -2.050 -3.726 6.092
32 HB2 ASP 6 2HB ASP 6 -0.935 -5.952 5.578
33 HB3 ASP 6 1HB ASP 6 0.537 -5.063 5.068
34 H CYS 7 H CYS 7 0.310 -2.798 3.532
35 HA CYS 7 HA CYS 7 1.501 -0.855 5.391
36 HB2 CYS 7 2HB CYS 7 3.544 -0.962 3.964
37 HB3 CYS 7 1HB CYS 7 3.141 -2.466 4.813
38 H THR 8 H THR 8 2.770 0.212 2.685
39 HA THR 8 HA THR 8 0.495 1.829 1.827
40 HB THR 8 HB THR 8 3.134 2.951 2.930
41 HG1 THR 8 1HG THR 8 1.944 3.667 4.603
42 HG21 THR 8 3HG2 THR 8 2.163 4.391 1.130
43 HG22 THR 8 1HG2 THR 8 1.901 5.168 2.725
44 HG23 THR 8 2HG2 THR 8 0.537 4.320 1.914
45 H ASP 9 H ASP 9 0.791 2.558 -0.366
46 HA ASP 9 HA ASP 9 3.234 1.644 -1.677
47 HB2 ASP 9 2HB ASP 9 2.156 2.464 -3.829
48 HB3 ASP 9 1HB ASP 9 1.473 1.001 -3.060
49 H PHE 10 H PHE 10 1.554 4.516 -2.678
50 HA PHE 10 HA PHE 10 3.787 6.235 -2.106
51 HB2 PHE 10 2HB PHE 10 2.332 6.290 -4.281
52 HB3 PHE 10 1HB PHE 10 0.987 6.891 -3.276
53 HD1 PHE 10 1HD PHE 10 4.606 7.639 -4.096
54 HD2 PHE 10 2HD PHE 10 0.769 9.218 -2.965
55 HE1 PHE 10 1HE PHE 10 5.485 9.942 -4.318
56 HE2 PHE 10 2HE PHE 10 1.649 11.516 -3.191
57 HZ PHE 10 HZ PHE 10 4.008 11.884 -3.866
58 H LEU 11 H LEU 11 3.571 8.093 -0.688
59 HA LEU 11 HA LEU 11 1.919 7.588 1.589
60 HB2 LEU 11 2HB LEU 11 3.722 9.997 0.961
61 HB3 LEU 11 1HB LEU 11 2.999 9.602 2.560
62 HG LEU 11 HG LEU 11 5.080 7.922 1.025
63 HD11 LEU 11 1HD1 LEU 11 6.006 10.071 1.858
64 HD12 LEU 11 2HD1 LEU 11 6.687 8.668 2.764
65 HD13 LEU 11 3HD1 LEU 11 5.415 9.699 3.521
66 HD21 LEU 11 3HD2 LEU 11 3.697 6.425 2.424
67 HD22 LEU 11 1HD2 LEU 11 3.915 7.506 3.854
68 HD23 LEU 11 2HD2 LEU 11 5.325 6.622 3.160
69 H GLY 12 H GLY 12 -0.207 8.071 1.506
70 HA2 GLY 12 2HA GLY 12 -1.962 9.436 1.539
71 HA3 GLY 12 1HA GLY 12 -1.018 10.736 0.716
72 H CYS 13 H CYS 13 -1.834 7.280 -0.049
73 HA CYS 13 HA CYS 13 -3.505 8.170 -2.221
74 HB2 CYS 13 2HB CYS 13 -1.150 7.922 -3.201
75 HB3 CYS 13 1HB CYS 13 -1.214 6.182 -2.801
76 H GLY 14 H GLY 14 -1.845 5.086 -1.186
77 HA2 GLY 14 2HA GLY 14 -4.182 4.278 0.253
78 HA3 GLY 14 1HA GLY 14 -3.963 3.458 -1.350
79 H THR 15 H THR 15 -3.755 1.410 0.133
80 HA THR 15 HA THR 15 -1.443 1.247 1.680
81 HB THR 15 HB THR 15 -2.487 -1.021 2.031
82 HG1 THR 15 1HG THR 15 -4.449 -1.417 1.216
83 HG21 THR 15 3HG2 THR 15 -4.367 1.395 2.477
84 HG22 THR 15 1HG2 THR 15 -2.971 0.953 3.528
85 HG23 THR 15 2HG2 THR 15 -4.380 -0.158 3.388
86 H ALA 16 H ALA 16 -0.528 -1.285 1.296
87 HA ALA 16 HA ALA 16 -0.453 -1.897 -1.532
88 HB1 ALA 16 1HB ALA 16 2.131 -1.567 0.101
89 HB2 ALA 16 2HB ALA 16 1.663 -0.632 -1.357
90 HB3 ALA 16 3HB ALA 16 2.018 -2.388 -1.502
91 H TRP 17 H TRP 17 -0.005 -4.106 -1.898
92 HA TRP 17 HA TRP 17 -0.921 -5.743 0.308
93 HB2 TRP 17 2HB TRP 17 -0.401 -6.383 -2.664
94 HB3 TRP 17 1HB TRP 17 -1.087 -7.530 -1.461
95 HD1 TRP 17 HD TRP 17 -3.251 -5.414 -0.126
96 HE1 TRP 17 1HE TRP 17 -5.356 -4.863 -1.478
97 HE3 TRP 17 3HE TRP 17 -1.502 -6.645 -4.757
98 HZ2 TRP 17 2HZ TRP 17 -6.172 -4.926 -4.218
99 HZ3 TRP 17 3HZ TRP 17 -2.982 -6.360 -6.716
100 HH2 TRP 17 HH TRP 17 -5.284 -5.515 -6.453
101 H ILE 18 H ILE 18 1.800 -5.536 -2.062
102 HA ILE 18 HA ILE 18 3.327 -7.506 -0.619
103 HB ILE 18 HB ILE 18 4.152 -5.679 -2.926
104 HG12 ILE 18 2HG1 ILE 18 3.143 -8.594 -2.933
105 HG13 ILE 18 1HG1 ILE 18 2.230 -7.167 -3.526
106 HG21 ILE 18 1HG2 ILE 18 6.084 -6.542 -1.551
107 HG22 ILE 18 2HG2 ILE 18 6.047 -7.329 -3.156
108 HG23 ILE 18 3HG2 ILE 18 5.448 -8.222 -1.710
109 HD11 ILE 18 3HD1 ILE 18 4.015 -6.751 -5.263
110 HD12 ILE 18 1HD1 ILE 18 3.183 -8.339 -5.444
111 HD13 ILE 18 2HD1 ILE 18 4.838 -8.272 -4.745
112 H CYS 19 H CYS 19 4.467 -6.991 1.164
113 HA CYS 19 HA CYS 19 5.207 -4.178 1.616
114 HB2 CYS 19 2HB CYS 19 4.269 -6.275 3.667
115 HB3 CYS 19 1HB CYS 19 4.782 -4.594 4.048
116 H VAL 20 H VAL 20 7.009 -4.023 3.257
117 HA VAL 20 HA VAL 20 9.087 -5.850 2.467
118 HB VAL 20 HB VAL 20 10.585 -4.343 3.745
119 HG11 VAL 20 1HG1 VAL 20 8.702 -2.940 1.729
120 HG12 VAL 20 2HG1 VAL 20 10.088 -4.018 1.311
121 HG13 VAL 20 3HG1 VAL 20 10.382 -2.452 2.153
122 HG21 VAL 20 3HG2 VAL 20 9.672 -2.202 4.646
123 HG22 VAL 20 1HG2 VAL 20 8.943 -3.599 5.509
124 HG23 VAL 20 2HG2 VAL 20 7.993 -2.713 4.257
Start of MODEL 18
1 H1 CYS 1 H CYS 1 0.063 0.927 -4.264
2 HA CYS 1 HA CYS 1 -1.937 2.961 -3.585
3 HB2 CYS 1 2HB CYS 1 -0.691 2.471 -6.365
4 HB3 CYS 1 1HB CYS 1 -2.206 3.398 -6.102
5 H VAL 2 H VAL 2 -2.632 0.683 -2.689
6 HA VAL 2 HA VAL 2 -4.593 -0.175 -4.669
7 HB VAL 2 HB VAL 2 -4.600 -2.499 -3.678
8 HG11 VAL 2 1HG1 VAL 2 -2.029 -1.686 -5.172
9 HG12 VAL 2 2HG1 VAL 2 -3.641 -1.999 -5.924
10 HG13 VAL 2 3HG1 VAL 2 -2.758 -3.329 -5.085
11 HG21 VAL 2 3HG2 VAL 2 -3.298 -1.966 -1.568
12 HG22 VAL 2 1HG2 VAL 2 -1.844 -1.622 -2.586
13 HG23 VAL 2 2HG2 VAL 2 -2.525 -3.278 -2.526
14 H TRP 3 H TRP 3 -6.147 -1.699 -2.785
15 HA TRP 3 HA TRP 3 -6.263 -0.008 -0.433
16 HB2 TRP 3 2HB TRP 3 -7.863 0.991 -2.163
17 HB3 TRP 3 1HB TRP 3 -8.772 -0.556 -2.124
18 HD1 TRP 3 HD TRP 3 -10.664 -0.574 -0.218
19 HE1 TRP 3 1HE TRP 3 -11.193 0.852 1.857
20 HE3 TRP 3 3HE TRP 3 -6.516 2.393 -0.276
21 HZ2 TRP 3 2HZ TRP 3 -9.942 2.972 3.325
22 HZ3 TRP 3 3HZ TRP 3 -6.207 4.075 1.504
23 HH2 TRP 3 HH TRP 3 -7.897 4.365 3.279
24 H GLY 4 H GLY 4 -7.037 -1.095 1.354
25 HA2 GLY 4 2HA GLY 4 -7.850 -2.765 2.562
26 HA3 GLY 4 1HA GLY 4 -8.097 -3.764 1.077
27 H GLY 5 H GLY 5 -5.288 -2.138 2.720
28 HA2 GLY 5 2HA GLY 5 -3.917 -4.722 2.838
29 HA3 GLY 5 1HA GLY 5 -3.191 -3.263 2.046
30 H ASP 6 H ASP 6 -1.811 -4.351 4.109
31 HA ASP 6 HA ASP 6 -2.638 -3.115 6.597
32 HB2 ASP 6 2HB ASP 6 -1.865 -5.546 6.457
33 HB3 ASP 6 1HB ASP 6 -0.248 -4.962 5.939
34 H CYS 7 H CYS 7 -0.180 -2.911 4.017
35 HA CYS 7 HA CYS 7 1.383 -0.989 5.595
36 HB2 CYS 7 2HB CYS 7 3.261 -1.599 3.941
37 HB3 CYS 7 1HB CYS 7 2.765 -2.805 5.146
38 H THR 8 H THR 8 2.717 -0.005 3.077
39 HA THR 8 HA THR 8 0.516 1.612 2.013
40 HB THR 8 HB THR 8 3.119 2.689 3.232
41 HG1 THR 8 1HG THR 8 1.867 3.432 4.850
42 HG21 THR 8 3HG2 THR 8 1.965 4.926 2.957
43 HG22 THR 8 1HG2 THR 8 0.585 4.113 2.133
44 HG23 THR 8 2HG2 THR 8 2.221 4.128 1.374
45 H ASP 9 H ASP 9 0.942 2.316 -0.177
46 HA ASP 9 HA ASP 9 3.463 1.374 -1.317
47 HB2 ASP 9 2HB ASP 9 2.589 2.230 -3.539
48 HB3 ASP 9 1HB ASP 9 1.853 0.752 -2.856
49 H PHE 10 H PHE 10 1.889 4.301 -2.392
50 HA PHE 10 HA PHE 10 3.950 5.992 -1.178
51 HB2 PHE 10 2HB PHE 10 1.743 6.506 -3.289
52 HB3 PHE 10 1HB PHE 10 2.754 7.816 -2.578
53 HD1 PHE 10 1HD PHE 10 5.213 7.837 -2.985
54 HD2 PHE 10 2HD PHE 10 2.659 4.965 -4.910
55 HE1 PHE 10 1HE PHE 10 6.999 7.345 -4.626
56 HE2 PHE 10 2HE PHE 10 4.446 4.475 -6.549
57 HZ PHE 10 HZ PHE 10 6.619 5.664 -6.410
58 H LEU 11 H LEU 11 3.271 7.684 0.262
59 HA LEU 11 HA LEU 11 0.937 6.937 1.770
60 HB2 LEU 11 2HB LEU 11 3.107 7.533 2.896
61 HB3 LEU 11 1HB LEU 11 2.975 9.188 2.224
62 HG LEU 11 HG LEU 11 0.835 9.516 3.522
63 HD11 LEU 11 1HD1 LEU 11 1.498 6.771 4.776
64 HD12 LEU 11 2HD1 LEU 11 0.054 7.165 3.768
65 HD13 LEU 11 3HD1 LEU 11 0.259 7.933 5.381
66 HD21 LEU 11 3HD2 LEU 11 1.911 9.773 5.744
67 HD22 LEU 11 1HD2 LEU 11 3.015 10.296 4.419
68 HD23 LEU 11 2HD2 LEU 11 3.270 8.703 5.228
69 H GLY 12 H GLY 12 -1.027 7.863 1.551
70 HA2 GLY 12 2HA GLY 12 -2.404 9.699 1.330
71 HA3 GLY 12 1HA GLY 12 -1.242 10.457 0.176
72 H CYS 13 H CYS 13 -0.829 7.602 -0.964
73 HA CYS 13 HA CYS 13 -2.851 7.872 -2.988
74 HB2 CYS 13 2HB CYS 13 -0.388 7.438 -3.455
75 HB3 CYS 13 1HB CYS 13 -0.577 5.805 -2.753
76 H GLY 14 H GLY 14 -1.545 5.045 -1.099
77 HA2 GLY 14 2HA GLY 14 -4.032 4.320 -0.051
78 HA3 GLY 14 1HA GLY 14 -3.682 3.396 -1.579
79 H THR 15 H THR 15 -3.677 1.432 0.062
80 HA THR 15 HA THR 15 -1.472 1.298 1.757
81 HB THR 15 HB THR 15 -2.589 -0.926 2.148
82 HG1 THR 15 1HG THR 15 -4.485 -1.343 1.210
83 HG21 THR 15 3HG2 THR 15 -4.566 0.038 3.303
84 HG22 THR 15 1HG2 THR 15 -4.448 1.541 2.320
85 HG23 THR 15 2HG2 THR 15 -3.145 1.128 3.499
86 H ALA 16 H ALA 16 -0.627 -1.283 1.515
87 HA ALA 16 HA ALA 16 -0.246 -1.930 -1.299
88 HB1 ALA 16 1HB ALA 16 2.048 -1.817 0.742
89 HB2 ALA 16 2HB ALA 16 1.920 -0.876 -0.784
90 HB3 ALA 16 3HB ALA 16 2.135 -2.657 -0.855
91 H TRP 17 H TRP 17 0.312 -4.227 -1.512
92 HA TRP 17 HA TRP 17 -0.797 -5.819 0.704
93 HB2 TRP 17 2HB TRP 17 -0.595 -6.444 -2.312
94 HB3 TRP 17 1HB TRP 17 -1.204 -7.569 -1.050
95 HD1 TRP 17 HD TRP 17 -3.124 -5.224 0.440
96 HE1 TRP 17 1HE TRP 17 -5.308 -4.602 -0.741
97 HE3 TRP 17 3HE TRP 17 -1.929 -6.844 -4.251
98 HZ2 TRP 17 2HZ TRP 17 -6.398 -4.768 -3.378
99 HZ3 TRP 17 3HZ TRP 17 -3.575 -6.569 -6.074
100 HH2 TRP 17 HH TRP 17 -5.779 -5.545 -5.645
101 H ILE 18 H ILE 18 1.462 -6.115 -2.111
102 HA ILE 18 HA ILE 18 3.324 -7.624 -0.479
103 HB ILE 18 HB ILE 18 3.506 -6.765 -3.407
104 HG12 ILE 18 2HG1 ILE 18 2.634 -9.445 -2.153
105 HG13 ILE 18 1HG1 ILE 18 1.553 -8.271 -2.975
106 HG21 ILE 18 1HG2 ILE 18 5.147 -8.783 -1.717
107 HG22 ILE 18 2HG2 ILE 18 5.739 -7.188 -2.311
108 HG23 ILE 18 3HG2 ILE 18 5.353 -8.481 -3.483
109 HD11 ILE 18 3HD1 ILE 18 2.065 -10.085 -4.527
110 HD12 ILE 18 1HD1 ILE 18 3.836 -9.857 -4.310
111 HD13 ILE 18 2HD1 ILE 18 2.854 -8.575 -5.116
112 H CYS 19 H CYS 19 4.816 -6.550 0.704
113 HA CYS 19 HA CYS 19 5.969 -4.080 -0.250
114 HB2 CYS 19 2HB CYS 19 5.422 -2.893 1.956
115 HB3 CYS 19 1HB CYS 19 4.027 -3.152 0.866
116 H VAL 20 H VAL 20 7.718 -3.406 1.402
117 HA VAL 20 HA VAL 20 9.187 -5.754 2.109
118 HB VAL 20 HB VAL 20 10.344 -3.927 1.065
119 HG11 VAL 20 1HG1 VAL 20 10.698 -1.750 2.171
120 HG12 VAL 20 2HG1 VAL 20 9.634 -2.217 3.541
121 HG13 VAL 20 3HG1 VAL 20 8.942 -2.013 1.885
122 HG21 VAL 20 3HG2 VAL 20 11.532 -5.454 2.658
123 HG22 VAL 20 1HG2 VAL 20 11.205 -4.305 4.011
124 HG23 VAL 20 2HG2 VAL 20 12.250 -3.801 2.636
Start of MODEL 19
1 H1 CYS 1 H CYS 1 -0.298 1.280 -4.364
2 HA CYS 1 HA CYS 1 -2.352 3.192 -3.532
3 HB2 CYS 1 2HB CYS 1 -1.274 2.832 -6.403
4 HB3 CYS 1 1HB CYS 1 -2.820 3.660 -6.013
5 H VAL 2 H VAL 2 -2.828 0.839 -2.646
6 HA VAL 2 HA VAL 2 -4.830 -0.140 -4.527
7 HB VAL 2 HB VAL 2 -4.549 -2.488 -3.646
8 HG11 VAL 2 1HG1 VAL 2 -2.718 -3.077 -5.187
9 HG12 VAL 2 2HG1 VAL 2 -2.158 -1.367 -5.242
10 HG13 VAL 2 3HG1 VAL 2 -3.773 -1.811 -5.918
11 HG21 VAL 2 3HG2 VAL 2 -3.178 -1.908 -1.591
12 HG22 VAL 2 1HG2 VAL 2 -1.825 -1.395 -2.672
13 HG23 VAL 2 2HG2 VAL 2 -2.349 -3.107 -2.644
14 H TRP 3 H TRP 3 -6.120 -1.862 -2.667
15 HA TRP 3 HA TRP 3 -6.244 -0.332 -0.204
16 HB2 TRP 3 2HB TRP 3 -8.066 0.576 -1.746
17 HB3 TRP 3 1HB TRP 3 -8.786 -1.068 -1.773
18 HD1 TRP 3 HD TRP 3 -10.566 -1.415 0.207
19 HE1 TRP 3 1HE TRP 3 -11.106 -0.227 2.424
20 HE3 TRP 3 3HE TRP 3 -6.739 1.960 0.197
21 HZ2 TRP 3 2HZ TRP 3 -9.985 1.883 4.004
22 HZ3 TRP 3 3HZ TRP 3 -6.493 3.513 2.100
23 HH2 TRP 3 HH TRP 3 -8.095 3.478 3.977
24 H GLY 4 H GLY 4 -6.761 -1.607 1.557
25 HA2 GLY 4 2HA GLY 4 -7.228 -3.440 2.710
26 HA3 GLY 4 1HA GLY 4 -7.493 -4.372 1.183
27 H GLY 5 H GLY 5 -4.777 -2.472 2.646
28 HA2 GLY 5 2HA GLY 5 -3.024 -4.808 2.355
29 HA3 GLY 5 1HA GLY 5 -2.624 -3.177 1.677
30 H ASP 6 H ASP 6 -0.893 -4.306 3.480
31 HA ASP 6 HA ASP 6 -1.689 -3.564 6.147
32 HB2 ASP 6 2HB ASP 6 0.260 -4.812 6.925
33 HB3 ASP 6 1HB ASP 6 -0.776 -5.798 5.844
34 H CYS 7 H CYS 7 0.570 -2.449 3.602
35 HA CYS 7 HA CYS 7 1.619 -0.467 5.523
36 HB2 CYS 7 2HB CYS 7 3.055 -1.674 3.113
37 HB3 CYS 7 1HB CYS 7 3.710 -0.397 4.209
38 H THR 8 H THR 8 2.851 0.584 2.723
39 HA THR 8 HA THR 8 0.490 2.049 1.855
40 HB THR 8 HB THR 8 3.070 3.350 2.883
41 HG1 THR 8 1HG THR 8 0.484 3.266 4.022
42 HG21 THR 8 3HG2 THR 8 1.715 5.483 2.680
43 HG22 THR 8 1HG2 THR 8 0.374 4.551 1.928
44 HG23 THR 8 2HG2 THR 8 1.964 4.693 1.088
45 H ASP 9 H ASP 9 0.779 2.799 -0.366
46 HA ASP 9 HA ASP 9 3.270 1.946 -1.632
47 HB2 ASP 9 2HB ASP 9 2.216 2.686 -3.816
48 HB3 ASP 9 1HB ASP 9 1.592 1.198 -3.048
49 H PHE 10 H PHE 10 1.498 4.721 -2.719
50 HA PHE 10 HA PHE 10 3.594 6.569 -1.911
51 HB2 PHE 10 2HB PHE 10 1.091 6.743 -3.715
52 HB3 PHE 10 1HB PHE 10 2.023 8.208 -3.248
53 HD1 PHE 10 1HD PHE 10 4.321 8.528 -4.064
54 HD2 PHE 10 2HD PHE 10 2.051 5.064 -5.218
55 HE1 PHE 10 1HE PHE 10 5.939 8.070 -5.881
56 HE2 PHE 10 2HE PHE 10 3.666 4.610 -7.033
57 HZ PHE 10 HZ PHE 10 5.614 6.111 -7.368
58 H LEU 11 H LEU 11 2.967 8.550 -0.773
59 HA LEU 11 HA LEU 11 1.290 7.878 1.435
60 HB2 LEU 11 2HB LEU 11 2.725 10.523 0.812
61 HB3 LEU 11 1HB LEU 11 2.017 10.041 2.394
62 HG LEU 11 HG LEU 11 4.399 8.703 0.968
63 HD11 LEU 11 1HD1 LEU 11 4.338 10.534 3.447
64 HD12 LEU 11 2HD1 LEU 11 4.928 10.983 1.801
65 HD13 LEU 11 3HD1 LEU 11 5.791 9.718 2.755
66 HD21 LEU 11 3HD2 LEU 11 3.228 7.013 2.333
67 HD22 LEU 11 1HD2 LEU 11 3.199 8.126 3.753
68 HD23 LEU 11 2HD2 LEU 11 4.767 7.483 3.134
69 H GLY 12 H GLY 12 -0.835 8.317 1.616
70 HA2 GLY 12 2HA GLY 12 -2.664 9.581 1.614
71 HA3 GLY 12 1HA GLY 12 -1.919 10.739 0.452
72 H CYS 13 H CYS 13 -1.309 7.731 -0.813
73 HA CYS 13 HA CYS 13 -3.466 8.027 -2.721
74 HB2 CYS 13 2HB CYS 13 -1.044 7.770 -3.414
75 HB3 CYS 13 1HB CYS 13 -1.050 6.116 -2.740
76 H GLY 14 H GLY 14 -1.846 5.169 -1.179
77 HA2 GLY 14 2HA GLY 14 -4.228 4.262 0.049
78 HA3 GLY 14 1HA GLY 14 -3.879 3.412 -1.522
79 H THR 15 H THR 15 -3.674 1.430 0.113
80 HA THR 15 HA THR 15 -1.383 1.426 1.694
81 HB THR 15 HB THR 15 -2.324 -0.863 2.108
82 HG1 THR 15 1HG THR 15 -3.380 -1.242 0.239
83 HG21 THR 15 3HG2 THR 15 -2.920 1.136 3.520
84 HG22 THR 15 1HG2 THR 15 -4.277 -0.040 3.398
85 HG23 THR 15 2HG2 THR 15 -4.316 1.477 2.430
86 H ALA 16 H ALA 16 -0.363 -1.108 1.390
87 HA ALA 16 HA ALA 16 -0.198 -1.770 -1.417
88 HB1 ALA 16 1HB ALA 16 2.264 -2.142 -1.399
89 HB2 ALA 16 2HB ALA 16 2.365 -1.366 0.226
90 HB3 ALA 16 3HB ALA 16 1.866 -0.401 -1.204
91 H TRP 17 H TRP 17 0.240 -3.956 -1.740
92 HA TRP 17 HA TRP 17 -0.569 -5.588 0.505
93 HB2 TRP 17 2HB TRP 17 -0.053 -6.269 -2.462
94 HB3 TRP 17 1HB TRP 17 -0.711 -7.403 -1.234
95 HD1 TRP 17 HD TRP 17 -2.930 -5.312 0.046
96 HE1 TRP 17 1HE TRP 17 -5.039 -4.832 -1.327
97 HE3 TRP 17 3HE TRP 17 -1.138 -6.617 -4.546
98 HZ2 TRP 17 2HZ TRP 17 -5.845 -4.987 -4.066
99 HZ3 TRP 17 3HZ TRP 17 -2.617 -6.422 -6.515
100 HH2 TRP 17 HH TRP 17 -4.938 -5.618 -6.281
101 H ILE 18 H ILE 18 2.103 -5.334 -1.918
102 HA ILE 18 HA ILE 18 3.694 -7.261 -0.485
103 HB ILE 18 HB ILE 18 4.466 -5.441 -2.811
104 HG12 ILE 18 2HG1 ILE 18 2.576 -6.816 -3.527
105 HG13 ILE 18 1HG1 ILE 18 4.097 -7.367 -4.287
106 HG21 ILE 18 1HG2 ILE 18 6.437 -6.290 -1.571
107 HG22 ILE 18 2HG2 ILE 18 6.288 -7.169 -3.131
108 HG23 ILE 18 3HG2 ILE 18 5.780 -7.968 -1.596
109 HD11 ILE 18 3HD1 ILE 18 4.218 -9.297 -2.662
110 HD12 ILE 18 1HD1 ILE 18 2.702 -9.303 -3.632
111 HD13 ILE 18 2HD1 ILE 18 2.664 -8.755 -1.921
112 H CYS 19 H CYS 19 4.880 -6.733 1.248
113 HA CYS 19 HA CYS 19 6.099 -4.128 1.471
114 HB2 CYS 19 2HB CYS 19 3.792 -3.825 2.469
115 HB3 CYS 19 1HB CYS 19 4.091 -5.200 3.573
116 H VAL 20 H VAL 20 5.210 -7.259 3.022
117 HA VAL 20 HA VAL 20 7.800 -7.407 4.306
118 HB VAL 20 HB VAL 20 5.522 -9.452 4.348
119 HG11 VAL 20 1HG1 VAL 20 7.775 -10.383 4.924
120 HG12 VAL 20 2HG1 VAL 20 6.751 -10.246 6.397
121 HG13 VAL 20 3HG1 VAL 20 8.050 -9.034 6.091
122 HG21 VAL 20 3HG2 VAL 20 4.707 -7.280 5.259
123 HG22 VAL 20 1HG2 VAL 20 6.201 -7.113 6.261
124 HG23 VAL 20 2HG2 VAL 20 5.019 -8.429 6.604
Start of MODEL 20
1 H1 CYS 1 H CYS 1 -0.385 1.219 -4.409
2 HA CYS 1 HA CYS 1 -2.286 2.907 -3.075
3 HB2 CYS 1 2HB CYS 1 -1.014 4.401 -4.786
4 HB3 CYS 1 1HB CYS 1 -1.836 3.470 -6.070
5 H VAL 2 H VAL 2 -2.866 0.665 -2.661
6 HA VAL 2 HA VAL 2 -4.944 -0.018 -4.604
7 HB VAL 2 HB VAL 2 -4.834 -2.405 -3.753
8 HG11 VAL 2 1HG1 VAL 2 -3.991 -1.731 -6.001
9 HG12 VAL 2 2HG1 VAL 2 -3.005 -3.059 -5.285
10 HG13 VAL 2 3HG1 VAL 2 -2.368 -1.374 -5.298
11 HG21 VAL 2 3HG2 VAL 2 -2.679 -3.165 -2.737
12 HG22 VAL 2 1HG2 VAL 2 -3.464 -1.948 -1.668
13 HG23 VAL 2 2HG2 VAL 2 -2.065 -1.485 -2.716
14 H TRP 3 H TRP 3 -6.345 -1.714 -2.717
15 HA TRP 3 HA TRP 3 -6.443 -0.109 -0.295
16 HB2 TRP 3 2HB TRP 3 -8.208 0.804 -1.907
17 HB3 TRP 3 1HB TRP 3 -8.984 -0.814 -1.883
18 HD1 TRP 3 HD TRP 3 -10.804 -1.028 0.085
19 HE1 TRP 3 1HE TRP 3 -11.356 0.290 2.222
20 HE3 TRP 3 3HE TRP 3 -6.885 2.239 -0.018
21 HZ2 TRP 3 2HZ TRP 3 -10.213 2.452 3.713
22 HZ3 TRP 3 3HZ TRP 3 -6.642 3.891 1.800
23 HH2 TRP 3 HH TRP 3 -8.282 4.000 3.640
24 H GLY 4 H GLY 4 -6.983 -1.305 1.498
25 HA2 GLY 4 2HA GLY 4 -7.476 -3.068 2.729
26 HA3 GLY 4 1HA GLY 4 -7.901 -4.014 1.248
27 H GLY 5 H GLY 5 -4.992 -2.369 2.664
28 HA2 GLY 5 2HA GLY 5 -3.434 -4.809 2.164
29 HA3 GLY 5 1HA GLY 5 -2.931 -3.166 1.596
30 H ASP 6 H ASP 6 -1.155 -4.393 3.128
31 HA ASP 6 HA ASP 6 -1.716 -4.051 5.930
32 HB2 ASP 6 2HB ASP 6 0.812 -5.086 4.486
33 HB3 ASP 6 1HB ASP 6 0.493 -5.170 6.257
34 H CYS 7 H CYS 7 0.403 -2.623 3.368
35 HA CYS 7 HA CYS 7 1.488 -0.792 5.408
36 HB2 CYS 7 2HB CYS 7 2.929 -2.034 3.011
37 HB3 CYS 7 1HB CYS 7 3.622 -0.799 4.130
38 H THR 8 H THR 8 2.833 0.211 2.604
39 HA THR 8 HA THR 8 0.591 1.875 1.777
40 HB THR 8 HB THR 8 3.268 2.931 2.860
41 HG1 THR 8 1HG THR 8 2.105 3.706 4.527
42 HG21 THR 8 3HG2 THR 8 0.713 4.396 1.870
43 HG22 THR 8 1HG2 THR 8 2.314 4.382 1.040
44 HG23 THR 8 2HG2 THR 8 2.143 5.185 2.631
45 H ASP 9 H ASP 9 0.890 2.568 -0.428
46 HA ASP 9 HA ASP 9 3.337 1.642 -1.732
47 HB2 ASP 9 2HB ASP 9 2.261 2.452 -3.891
48 HB3 ASP 9 1HB ASP 9 1.582 0.986 -3.124
49 H PHE 10 H PHE 10 1.651 4.515 -2.745
50 HA PHE 10 HA PHE 10 3.745 6.304 -1.797
51 HB2 PHE 10 2HB PHE 10 1.173 6.776 -3.467
52 HB3 PHE 10 1HB PHE 10 2.372 8.054 -3.052
53 HD1 PHE 10 1HD PHE 10 4.794 7.716 -3.859
54 HD2 PHE 10 2HD PHE 10 1.506 5.369 -5.331
55 HE1 PHE 10 1HE PHE 10 6.135 7.075 -5.838
56 HE2 PHE 10 2HE PHE 10 2.848 4.731 -7.309
57 HZ PHE 10 HZ PHE 10 5.165 5.581 -7.565
58 H LEU 11 H LEU 11 3.246 7.915 -0.210
59 HA LEU 11 HA LEU 11 1.130 7.121 1.562
60 HB2 LEU 11 2HB LEU 11 3.408 7.757 2.412
61 HB3 LEU 11 1HB LEU 11 3.166 9.411 1.771
62 HG LEU 11 HG LEU 11 1.206 9.702 3.332
63 HD11 LEU 11 1HD1 LEU 11 2.054 6.962 4.477
64 HD12 LEU 11 2HD1 LEU 11 0.491 7.340 3.658
65 HD13 LEU 11 3HD1 LEU 11 0.884 8.105 5.236
66 HD21 LEU 11 3HD2 LEU 11 3.844 8.913 4.713
67 HD22 LEU 11 1HD2 LEU 11 2.549 9.962 5.403
68 HD23 LEU 11 2HD2 LEU 11 3.471 10.505 3.952
69 H GLY 12 H GLY 12 -0.869 7.978 1.588
70 HA2 GLY 12 2HA GLY 12 -2.263 9.830 1.644
71 HA3 GLY 12 1HA GLY 12 -1.317 10.595 0.311
72 H CYS 13 H CYS 13 -1.049 7.871 -1.022
73 HA CYS 13 HA CYS 13 -3.437 8.170 -2.581
74 HB2 CYS 13 2HB CYS 13 -1.065 7.917 -3.496
75 HB3 CYS 13 1HB CYS 13 -1.130 6.191 -3.035
76 H GLY 14 H GLY 14 -1.729 5.259 -1.133
77 HA2 GLY 14 2HA GLY 14 -4.079 4.404 0.161
78 HA3 GLY 14 1HA GLY 14 -3.847 3.556 -1.429
79 H THR 15 H THR 15 -3.677 1.541 0.084
80 HA THR 15 HA THR 15 -1.372 1.358 1.648
81 HB THR 15 HB THR 15 -2.466 -0.887 2.011
82 HG1 THR 15 1HG THR 15 -4.438 -1.242 1.209
83 HG21 THR 15 3HG2 THR 15 -2.894 1.104 3.499
84 HG22 THR 15 1HG2 THR 15 -4.330 0.026 3.370
85 HG23 THR 15 2HG2 THR 15 -4.283 1.574 2.450
86 H ALA 16 H ALA 16 -0.493 -1.189 1.309
87 HA ALA 16 HA ALA 16 -0.415 -1.862 -1.502
88 HB1 ALA 16 1HB ALA 16 2.030 -2.385 -1.487
89 HB2 ALA 16 2HB ALA 16 2.177 -1.618 0.140
90 HB3 ALA 16 3HB ALA 16 1.742 -0.623 -1.293
91 H TRP 17 H TRP 17 -0.087 -4.089 -1.819
92 HA TRP 17 HA TRP 17 -1.010 -5.639 0.438
93 HB2 TRP 17 2HB TRP 17 -0.492 -6.387 -2.513
94 HB3 TRP 17 1HB TRP 17 -1.206 -7.481 -1.277
95 HD1 TRP 17 HD TRP 17 -3.322 -5.267 -0.030
96 HE1 TRP 17 1HE TRP 17 -5.408 -4.706 -1.398
97 HE3 TRP 17 3HE TRP 17 -1.602 -6.718 -4.603
98 HZ2 TRP 17 2HZ TRP 17 -6.228 -4.866 -4.139
99 HZ3 TRP 17 3HZ TRP 17 -3.072 -6.475 -6.573
100 HH2 TRP 17 HH TRP 17 -5.354 -5.562 -6.347
101 H ILE 18 H ILE 18 1.701 -5.624 -1.959
102 HA ILE 18 HA ILE 18 3.203 -7.507 -0.403
103 HB ILE 18 HB ILE 18 3.337 -7.576 -2.820
104 HG12 ILE 18 2HG1 ILE 18 6.025 -6.734 -1.571
105 HG13 ILE 18 1HG1 ILE 18 5.229 -8.330 -1.347
106 HG21 ILE 18 1HG2 ILE 18 4.659 -4.785 -2.683
107 HG22 ILE 18 2HG2 ILE 18 2.987 -5.121 -3.271
108 HG23 ILE 18 3HG2 ILE 18 4.397 -5.791 -4.149
109 HD11 ILE 18 3HD1 ILE 18 6.208 -7.155 -4.034
110 HD12 ILE 18 1HD1 ILE 18 5.331 -8.720 -3.840
111 HD13 ILE 18 2HD1 ILE 18 6.960 -8.495 -3.099
112 H CYS 19 H CYS 19 4.820 -7.039 1.058
113 HA CYS 19 HA CYS 19 5.713 -4.314 1.391
114 HB2 CYS 19 2HB CYS 19 3.516 -4.509 2.690
115 HB3 CYS 19 1HB CYS 19 4.246 -5.832 3.652
116 H VAL 20 H VAL 20 7.591 -4.282 2.833
117 HA VAL 20 HA VAL 20 9.106 -6.701 2.636
118 HB VAL 20 HB VAL 20 10.176 -4.621 2.097
119 HG11 VAL 20 1HG1 VAL 20 8.864 -3.074 3.577
120 HG12 VAL 20 2HG1 VAL 20 10.639 -2.869 3.770
121 HG13 VAL 20 3HG1 VAL 20 9.705 -3.749 5.026
122 HG21 VAL 20 3HG2 VAL 20 12.220 -4.926 3.453
123 HG22 VAL 20 1HG2 VAL 20 11.499 -6.527 3.045
124 HG23 VAL 20 2HG2 VAL 20 11.306 -5.843 4.704