Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1041 | 1a1p RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ILE 1 HT1 ILE 1 -7.004 5.202 1.622
2 2H ILE 1 HT3 ILE 1 -7.724 6.220 0.473
3 3H ILE 1 HT2 ILE 1 -7.664 4.545 0.202
4 HA ILE 1 HA ILE 1 -5.922 5.226 -1.115
5 HB ILE 1 HB ILE 1 -6.312 7.583 -0.421
6 1HG1 ILE 1 HG12 ILE 1 -3.398 6.742 -0.252
7 2HG1 ILE 1 HG11 ILE 1 -4.300 6.968 -1.752
8 1HG2 ILE 1 HG21 ILE 1 -5.992 6.778 2.099
9 2HG2 ILE 1 HG23 ILE 1 -4.322 7.252 1.789
10 3HG2 ILE 1 HG22 ILE 1 -5.620 8.434 1.618
11 1HD1 ILE 1 HD12 ILE 1 -4.711 9.301 -0.187
12 2HD1 ILE 1 HD11 ILE 1 -2.982 8.952 -0.142
13 3HD1 ILE 1 HD13 ILE 1 -3.800 9.159 -1.690
14 H CYS 2 HN CYS 2 -3.879 4.251 -1.090
15 HA CYS 2 HA CYS 2 -2.341 3.827 1.331
16 1HB CYS 2 HB2 CYS 2 -2.747 1.217 1.040
17 2HB CYS 2 HB1 CYS 2 -3.846 2.190 2.010
18 H VAL 3 HN VAL 3 -0.361 4.062 0.392
19 HA VAL 3 HA VAL 3 0.328 2.301 -1.908
20 HB VAL 3 HB VAL 3 0.521 5.294 -1.670
21 1HG1 VAL 3 HG12 VAL 3 2.170 3.407 -3.335
22 2HG1 VAL 3 HG11 VAL 3 1.767 5.004 -3.964
23 3HG1 VAL 3 HG13 VAL 3 2.680 4.852 -2.463
24 1HG2 VAL 3 HG22 VAL 3 -1.449 3.913 -2.728
25 2HG2 VAL 3 HG21 VAL 3 -0.839 5.335 -3.575
26 3HG2 VAL 3 HG23 VAL 3 -0.338 3.723 -4.084
27 H VAL 4 HN VAL 4 0.979 3.022 1.098
28 HA VAL 4 HA VAL 4 3.802 3.579 1.159
29 HB VAL 4 HB VAL 4 2.653 4.016 3.148
30 1HG1 VAL 4 HG12 VAL 4 1.247 1.452 2.542
31 2HG1 VAL 4 HG11 VAL 4 1.353 1.959 4.228
32 3HG1 VAL 4 HG13 VAL 4 0.577 3.006 3.040
33 1HG2 VAL 4 HG22 VAL 4 4.763 2.729 3.535
34 2HG2 VAL 4 HG21 VAL 4 3.587 2.545 4.837
35 3HG2 VAL 4 HG23 VAL 4 3.795 1.258 3.648
36 H GLN 5 HN GLN 5 5.433 2.000 1.954
37 HA GLN 5 HA GLN 5 6.675 0.040 1.489
38 1HB GLN 5 HB2 GLN 5 3.965 -0.735 2.464
39 2HB GLN 5 HB1 GLN 5 5.019 -2.009 1.851
40 1HG GLN 5 HG2 GLN 5 6.503 -1.810 3.579
41 2HG GLN 5 HG1 GLN 5 6.292 -0.063 3.690
42 1HE2 GLN 5 HE22 GLN 5 4.632 -1.963 6.595
43 2HE2 GLN 5 HE21 GLN 5 6.156 -2.191 5.862
44 H ASP 6 HN ASP 6 7.093 0.265 -0.679
45 HA ASP 6 HA ASP 6 5.213 -0.356 -2.812
46 1HB ASP 6 HB2 ASP 6 7.335 1.181 -2.670
47 2HB ASP 6 HB1 ASP 6 8.206 -0.309 -3.040
48 H TRP 7 HN TRP 7 7.975 -2.000 -1.317
49 HA TRP 7 HA TRP 7 7.817 -4.327 -3.074
50 1HB TRP 7 HB2 TRP 7 9.469 -5.191 -1.309
51 2HB TRP 7 HB1 TRP 7 9.945 -3.731 -2.170
52 HD1 TRP 7 HD1 TRP 7 10.682 -1.803 -0.711
53 HE1 TRP 7 HE1 TRP 7 10.386 -1.122 1.757
54 HE3 TRP 7 HE3 TRP 7 7.547 -5.505 0.857
55 HZ2 TRP 7 HZ2 TRP 7 8.996 -2.028 4.088
56 HZ3 TRP 7 HZ3 TRP 7 6.750 -5.580 3.202
57 HH2 TRP 7 HH2 TRP 7 7.471 -3.845 4.819
58 H GLY 8 HN GLY 8 6.189 -3.307 -0.241
59 1HA GLY 8 HA2 GLY 8 5.018 -6.031 0.041
60 2HA GLY 8 HA1 GLY 8 5.570 -5.167 1.476
61 H HIS 9 HN HIS 9 3.240 -5.079 -1.169
62 HA HIS 9 HA HIS 9 1.739 -2.843 0.011
63 1HB HIS 9 HB2 HIS 9 1.629 -4.624 -2.391
64 2HB HIS 9 HB1 HIS 9 0.130 -3.828 -1.899
65 HD1 HIS 9 HD1 HIS 9 -0.174 -1.641 -3.029
66 HD2 HIS 9 HD2 HIS 9 3.861 -2.454 -2.363
67 HE1 HIS 9 HE1 HIS 9 1.115 0.337 -3.947
68 H HIS 10 HN HIS 10 -0.842 -3.482 0.027
69 HA HIS 10 HA HIS 10 -1.072 -5.962 1.695
70 1HB HIS 10 HB2 HIS 10 -2.534 -3.332 2.077
71 2HB HIS 10 HB1 HIS 10 -2.509 -4.703 3.184
72 HD1 HIS 10 HD1 HIS 10 -0.493 -4.934 4.735
73 HD2 HIS 10 HD2 HIS 10 -0.026 -1.887 1.928
74 HE1 HIS 10 HE1 HIS 10 1.580 -3.646 5.413
75 H ARG 11 HN ARG 11 -3.626 -3.702 0.707
76 HA ARG 11 HA ARG 11 -4.579 -5.192 -1.552
77 1HB ARG 11 HB2 ARG 11 -6.383 -6.434 -0.466
78 2HB ARG 11 HB1 ARG 11 -4.852 -6.869 0.295
79 1HG ARG 11 HG2 ARG 11 -5.635 -4.681 1.775
80 2HG ARG 11 HG1 ARG 11 -7.175 -5.472 1.434
81 1HD ARG 11 HD2 ARG 11 -6.715 -7.016 3.022
82 2HD ARG 11 HD1 ARG 11 -5.266 -7.502 2.121
83 HE ARG 11 HE ARG 11 -3.971 -6.140 3.563
84 1HH1 ARG 11 HH21 ARG 11 -4.765 -3.516 3.530
85 2HH1 ARG 11 HH22 ARG 11 -5.708 -3.249 4.958
86 1HH2 ARG 11 HH11 ARG 11 -6.303 -6.624 5.512
87 2HH2 ARG 11 HH12 ARG 11 -6.587 -5.004 6.077
88 H CYS 12 HN CYS 12 -4.632 -2.727 -1.881
89 HA CYS 12 HA CYS 12 -6.589 -1.122 -0.494
90 1HB CYS 12 HB2 CYS 12 -5.147 -0.889 -3.154
91 2HB CYS 12 HB1 CYS 12 -6.118 0.408 -2.453
92 H THR 13 HN THR 13 -7.373 -0.372 -3.568
93 HA THR 13 HA THR 13 -9.764 -2.181 -3.550
94 HB THR 13 HB THR 13 -10.201 0.154 -5.107
95 HG1 THR 13 HG1 THR 13 -8.960 1.548 -4.182
96 1HG2 THR 13 HG23 THR 13 -11.153 -1.012 -2.534
97 2HG2 THR 13 HG22 THR 13 -11.577 0.665 -2.878
98 3HG2 THR 13 HG21 THR 13 -12.061 -0.614 -3.992
99 1HN NH2 14 HT1 NH2 14 -10.717 -1.770 -6.116
100 2HN NH2 14 HT2 NH2 14 -9.573 -2.269 -7.277
No H/Q in entry = 100
Start of MODEL 2
1 1H ILE 1 HT1 ILE 1 -6.209 4.365 -0.532
2 2H ILE 1 HT3 ILE 1 -7.071 5.476 0.414
3 3H ILE 1 HT2 ILE 1 -7.010 5.669 -1.271
4 HA ILE 1 HA ILE 1 -4.865 6.465 -1.263
5 HB ILE 1 HB ILE 1 -5.966 7.192 1.470
6 1HG1 ILE 1 HG12 ILE 1 -6.611 8.515 -1.177
7 2HG1 ILE 1 HG11 ILE 1 -7.635 7.265 -0.469
8 1HG2 ILE 1 HG22 ILE 1 -4.267 8.694 -0.545
9 2HG2 ILE 1 HG21 ILE 1 -4.914 9.389 0.940
10 3HG2 ILE 1 HG23 ILE 1 -3.731 8.082 1.020
11 1HD1 ILE 1 HD12 ILE 1 -6.853 9.484 1.342
12 2HD1 ILE 1 HD11 ILE 1 -7.969 9.902 0.042
13 3HD1 ILE 1 HD13 ILE 1 -8.394 8.638 1.197
14 H CYS 2 HN CYS 2 -3.757 4.280 -1.036
15 HA CYS 2 HA CYS 2 -2.018 4.324 1.352
16 1HB CYS 2 HB2 CYS 2 -2.579 1.669 1.318
17 2HB CYS 2 HB1 CYS 2 -3.425 2.815 2.349
18 H VAL 3 HN VAL 3 -0.090 4.397 0.312
19 HA VAL 3 HA VAL 3 0.464 2.324 -1.763
20 HB VAL 3 HB VAL 3 1.065 5.280 -1.719
21 1HG1 VAL 3 HG13 VAL 3 2.434 3.047 -3.121
22 2HG1 VAL 3 HG12 VAL 3 2.063 4.465 -4.102
23 3HG1 VAL 3 HG11 VAL 3 3.055 4.629 -2.651
24 1HG2 VAL 3 HG21 VAL 3 -0.807 3.496 -3.124
25 2HG2 VAL 3 HG23 VAL 3 -0.896 5.240 -2.868
26 3HG2 VAL 3 HG22 VAL 3 0.064 4.591 -4.197
27 H VAL 4 HN VAL 4 1.112 3.183 1.206
28 HA VAL 4 HA VAL 4 3.893 3.562 1.503
29 HB VAL 4 HB VAL 4 2.531 3.767 3.412
30 1HG1 VAL 4 HG12 VAL 4 1.211 1.417 2.269
31 2HG1 VAL 4 HG11 VAL 4 1.398 1.306 4.019
32 3HG1 VAL 4 HG13 VAL 4 0.547 2.678 3.308
33 1HG2 VAL 4 HG23 VAL 4 4.663 2.600 3.899
34 2HG2 VAL 4 HG22 VAL 4 3.385 2.121 5.011
35 3HG2 VAL 4 HG21 VAL 4 3.846 1.051 3.687
36 H GLN 5 HN GLN 5 5.407 1.822 2.380
37 HA GLN 5 HA GLN 5 6.678 -0.097 1.852
38 1HB GLN 5 HB2 GLN 5 3.818 -0.947 2.171
39 2HB GLN 5 HB1 GLN 5 5.029 -2.134 1.689
40 1HG GLN 5 HG2 GLN 5 6.165 -2.006 3.705
41 2HG GLN 5 HG1 GLN 5 5.650 -0.347 4.008
42 1HE2 GLN 5 HE22 GLN 5 3.218 -1.587 6.244
43 2HE2 GLN 5 HE21 GLN 5 4.513 -0.510 5.975
44 H ASP 6 HN ASP 6 7.447 0.403 -0.187
45 HA ASP 6 HA ASP 6 5.964 0.319 -2.647
46 1HB ASP 6 HB2 ASP 6 8.882 0.107 -1.882
47 2HB ASP 6 HB1 ASP 6 8.358 0.126 -3.566
48 H TRP 7 HN TRP 7 7.441 -2.134 -0.683
49 HA TRP 7 HA TRP 7 7.024 -4.168 -2.841
50 1HB TRP 7 HB2 TRP 7 8.576 -5.466 -1.149
51 2HB TRP 7 HB1 TRP 7 9.275 -4.262 -2.225
52 HD1 TRP 7 HD1 TRP 7 10.541 -2.350 -1.148
53 HE1 TRP 7 HE1 TRP 7 10.874 -1.474 1.251
54 HE3 TRP 7 HE3 TRP 7 7.178 -5.274 1.307
55 HZ2 TRP 7 HZ2 TRP 7 9.840 -1.957 3.873
56 HZ3 TRP 7 HZ3 TRP 7 6.865 -5.054 3.759
57 HH2 TRP 7 HH2 TRP 7 8.192 -3.397 5.042
58 H GLY 8 HN GLY 8 6.030 -3.091 0.285
59 1HA GLY 8 HA2 GLY 8 4.768 -5.681 0.935
60 2HA GLY 8 HA1 GLY 8 4.822 -4.264 1.986
61 H HIS 9 HN HIS 9 3.558 -4.968 -1.305
62 HA HIS 9 HA HIS 9 1.321 -3.121 -0.930
63 1HB HIS 9 HB2 HIS 9 2.205 -5.104 -3.038
64 2HB HIS 9 HB1 HIS 9 0.720 -4.160 -3.204
65 HD1 HIS 9 HD1 HIS 9 2.792 -3.565 -5.273
66 HD2 HIS 9 HD2 HIS 9 2.784 -1.638 -1.576
67 HE1 HIS 9 HE1 HIS 9 4.085 -1.411 -5.586
68 H HIS 10 HN HIS 10 -0.637 -3.667 -0.043
69 HA HIS 10 HA HIS 10 -1.215 -6.548 0.475
70 1HB HIS 10 HB2 HIS 10 -2.322 -3.932 1.547
71 2HB HIS 10 HB1 HIS 10 -2.890 -5.522 2.058
72 HD1 HIS 10 HD1 HIS 10 -1.287 -6.965 3.504
73 HD2 HIS 10 HD2 HIS 10 0.269 -3.230 2.500
74 HE1 HIS 10 HE1 HIS 10 0.757 -6.626 4.960
75 H ARG 11 HN ARG 11 -3.732 -4.131 0.322
76 HA ARG 11 HA ARG 11 -4.621 -4.534 -2.375
77 1HB ARG 11 HB2 ARG 11 -6.418 -6.174 -1.907
78 2HB ARG 11 HB1 ARG 11 -4.836 -6.856 -1.532
79 1HG ARG 11 HG2 ARG 11 -5.650 -5.550 0.820
80 2HG ARG 11 HG1 ARG 11 -7.086 -6.392 0.236
81 1HD ARG 11 HD2 ARG 11 -5.755 -8.492 0.046
82 2HD ARG 11 HD1 ARG 11 -4.355 -7.637 0.725
83 HE ARG 11 HE ARG 11 -6.462 -8.674 2.297
84 1HH1 ARG 11 HH11 ARG 11 -7.611 -6.066 2.571
85 2HH1 ARG 11 HH12 ARG 11 -6.654 -5.293 3.799
86 1HH2 ARG 11 HH21 ARG 11 -4.011 -7.519 3.507
87 2HH2 ARG 11 HH22 ARG 11 -4.615 -6.118 4.326
88 H CYS 12 HN CYS 12 -4.922 -2.206 -1.823
89 HA CYS 12 HA CYS 12 -6.786 -1.353 0.210
90 1HB CYS 12 HB2 CYS 12 -5.633 -0.103 -2.301
91 2HB CYS 12 HB1 CYS 12 -6.642 0.789 -1.159
92 H THR 13 HN THR 13 -7.182 -2.661 -2.968
93 HA THR 13 HA THR 13 -10.124 -2.183 -2.795
94 HB THR 13 HB THR 13 -8.340 -1.648 -5.195
95 HG1 THR 13 HG1 THR 13 -9.678 0.017 -3.343
96 1HG2 THR 13 HG23 THR 13 -11.329 -1.414 -4.765
97 2HG2 THR 13 HG22 THR 13 -10.482 -0.656 -6.112
98 3HG2 THR 13 HG21 THR 13 -10.490 -2.412 -5.955
99 1HN NH2 14 HT1 NH2 14 -9.607 -4.644 -2.147
100 2HN NH2 14 HT2 NH2 14 -9.590 -5.752 -3.444
No H/Q in entry = 100
Start of MODEL 3
1 1H ILE 1 HT1 ILE 1 -4.211 5.112 -2.763
2 2H ILE 1 HT3 ILE 1 -5.814 4.729 -2.363
3 3H ILE 1 HT2 ILE 1 -5.471 6.158 -3.213
4 HA ILE 1 HA ILE 1 -4.667 7.246 -1.376
5 HB ILE 1 HB ILE 1 -6.998 5.487 -1.065
6 1HG1 ILE 1 HG12 ILE 1 -6.635 8.306 -0.053
7 2HG1 ILE 1 HG11 ILE 1 -6.795 7.965 -1.775
8 1HG2 ILE 1 HG21 ILE 1 -5.836 4.991 1.092
9 2HG2 ILE 1 HG23 ILE 1 -5.806 6.719 1.443
10 3HG2 ILE 1 HG22 ILE 1 -7.348 5.868 1.321
11 1HD1 ILE 1 HD11 ILE 1 -8.779 7.080 0.339
12 2HD1 ILE 1 HD13 ILE 1 -8.983 8.493 -0.701
13 3HD1 ILE 1 HD12 ILE 1 -8.944 6.876 -1.405
14 H CYS 2 HN CYS 2 -4.578 3.729 -0.900
15 HA CYS 2 HA CYS 2 -2.550 4.119 1.262
16 1HB CYS 2 HB2 CYS 2 -3.090 1.746 1.773
17 2HB CYS 2 HB1 CYS 2 -4.526 2.767 1.794
18 H VAL 3 HN VAL 3 -0.495 4.059 0.506
19 HA VAL 3 HA VAL 3 0.174 2.129 -1.683
20 HB VAL 3 HB VAL 3 0.396 4.979 -1.379
21 1HG1 VAL 3 HG12 VAL 3 2.696 4.475 -0.577
22 2HG1 VAL 3 HG11 VAL 3 3.004 3.588 -2.069
23 3HG1 VAL 3 HG13 VAL 3 2.705 5.325 -2.122
24 1HG2 VAL 3 HG21 VAL 3 -0.331 3.411 -3.349
25 2HG2 VAL 3 HG23 VAL 3 0.480 4.933 -3.718
26 3HG2 VAL 3 HG22 VAL 3 1.389 3.420 -3.750
27 H VAL 4 HN VAL 4 0.405 2.469 1.434
28 HA VAL 4 HA VAL 4 2.900 2.539 2.502
29 HB VAL 4 HB VAL 4 1.391 1.850 4.067
30 1HG1 VAL 4 HG13 VAL 4 0.185 0.287 1.814
31 2HG1 VAL 4 HG12 VAL 4 -0.222 -0.169 3.467
32 3HG1 VAL 4 HG11 VAL 4 -0.573 1.460 2.892
33 1HG2 VAL 4 HG21 VAL 4 3.247 0.204 4.205
34 2HG2 VAL 4 HG23 VAL 4 1.719 -0.473 4.761
35 3HG2 VAL 4 HG22 VAL 4 2.336 -0.886 3.161
36 H GLN 5 HN GLN 5 4.706 1.181 2.695
37 HA GLN 5 HA GLN 5 6.423 -0.079 1.680
38 1HB GLN 5 HB2 GLN 5 4.066 -1.981 1.611
39 2HB GLN 5 HB1 GLN 5 5.757 -2.451 1.458
40 1HG GLN 5 HG2 GLN 5 6.269 -1.690 3.672
41 2HG GLN 5 HG1 GLN 5 4.693 -0.915 3.836
42 1HE2 GLN 5 HE22 GLN 5 4.884 -4.498 5.315
43 2HE2 GLN 5 HE21 GLN 5 6.072 -3.274 5.330
44 H ASP 6 HN ASP 6 6.864 0.927 -0.214
45 HA ASP 6 HA ASP 6 5.444 1.290 -2.552
46 1HB ASP 6 HB2 ASP 6 8.286 0.866 -1.800
47 2HB ASP 6 HB1 ASP 6 7.925 0.692 -3.519
48 H TRP 7 HN TRP 7 6.799 -1.693 -1.341
49 HA TRP 7 HA TRP 7 5.724 -3.166 -3.722
50 1HB TRP 7 HB2 TRP 7 7.545 -4.837 -2.892
51 2HB TRP 7 HB1 TRP 7 8.069 -3.387 -3.742
52 HD1 TRP 7 HD1 TRP 7 9.793 -1.970 -2.558
53 HE1 TRP 7 HE1 TRP 7 10.700 -1.777 -0.158
54 HE3 TRP 7 HE3 TRP 7 6.627 -5.170 -0.165
55 HZ2 TRP 7 HZ2 TRP 7 10.158 -2.840 2.437
56 HZ3 TRP 7 HZ3 TRP 7 6.846 -5.569 2.272
57 HH2 TRP 7 HH2 TRP 7 8.605 -4.404 3.577
58 H GLY 8 HN GLY 8 5.588 -2.696 -0.347
59 1HA GLY 8 HA2 GLY 8 4.639 -5.369 0.341
60 2HA GLY 8 HA1 GLY 8 4.676 -3.976 1.418
61 H HIS 9 HN HIS 9 3.018 -4.737 -1.667
62 HA HIS 9 HA HIS 9 0.624 -3.275 -0.813
63 1HB HIS 9 HB2 HIS 9 1.552 -4.868 -3.197
64 2HB HIS 9 HB1 HIS 9 -0.159 -4.453 -3.044
65 HD1 HIS 9 HD1 HIS 9 0.359 -2.908 -5.224
66 HD2 HIS 9 HD2 HIS 9 2.117 -1.686 -1.649
67 HE1 HIS 9 HE1 HIS 9 1.055 -0.496 -5.559
68 H HIS 10 HN HIS 10 -0.187 -4.398 1.037
69 HA HIS 10 HA HIS 10 -0.663 -7.305 0.865
70 1HB HIS 10 HB2 HIS 10 -0.185 -5.317 2.853
71 2HB HIS 10 HB1 HIS 10 -1.733 -6.084 3.212
72 HD1 HIS 10 HD1 HIS 10 -0.639 -7.340 5.255
73 HD2 HIS 10 HD2 HIS 10 0.999 -8.325 1.550
74 HE1 HIS 10 HE1 HIS 10 0.752 -9.425 5.618
75 H ARG 11 HN ARG 11 -2.724 -4.482 1.692
76 HA ARG 11 HA ARG 11 -4.970 -5.818 0.255
77 1HB ARG 11 HB2 ARG 11 -6.390 -5.493 2.260
78 2HB ARG 11 HB1 ARG 11 -5.003 -6.527 2.612
79 1HG ARG 11 HG2 ARG 11 -4.154 -3.857 3.047
80 2HG ARG 11 HG1 ARG 11 -5.724 -4.026 3.831
81 1HD ARG 11 HD2 ARG 11 -4.457 -6.402 4.498
82 2HD ARG 11 HD1 ARG 11 -3.150 -5.204 4.592
83 HE ARG 11 HE ARG 11 -4.807 -3.819 5.982
84 1HH1 ARG 11 HH21 ARG 11 -7.088 -5.747 5.741
85 2HH1 ARG 11 HH22 ARG 11 -6.975 -6.629 7.228
86 1HH2 ARG 11 HH11 ARG 11 -3.727 -5.595 7.898
87 2HH2 ARG 11 HH12 ARG 11 -5.071 -6.543 8.456
88 H CYS 12 HN CYS 12 -4.660 -4.055 -1.265
89 HA CYS 12 HA CYS 12 -5.879 -1.488 -0.330
90 1HB CYS 12 HB2 CYS 12 -3.316 -2.099 -1.712
91 2HB CYS 12 HB1 CYS 12 -4.196 -0.676 -2.276
92 H THR 13 HN THR 13 -7.068 -0.360 -2.047
93 HA THR 13 HA THR 13 -8.068 -2.240 -4.135
94 HB THR 13 HB THR 13 -9.459 -0.932 -2.338
95 HG1 THR 13 HG1 THR 13 -10.545 -2.016 -3.873
96 1HG2 THR 13 HG21 THR 13 -8.319 1.264 -3.050
97 2HG2 THR 13 HG23 THR 13 -9.368 1.203 -4.467
98 3HG2 THR 13 HG22 THR 13 -10.071 1.297 -2.853
99 1HN NH2 14 HT1 NH2 14 -5.892 0.367 -3.829
100 2HN NH2 14 HT2 NH2 14 -5.908 0.892 -5.450
No H/Q in entry = 100
Start of MODEL 4
1 1H ILE 1 HT1 ILE 1 -4.450 5.664 -1.749
2 2H ILE 1 HT3 ILE 1 -6.072 5.656 -1.253
3 3H ILE 1 HT2 ILE 1 -5.344 7.108 -1.748
4 HA ILE 1 HA ILE 1 -4.388 7.480 0.231
5 HB ILE 1 HB ILE 1 -6.734 5.670 0.480
6 1HG1 ILE 1 HG12 ILE 1 -6.826 8.161 0.216
7 2HG1 ILE 1 HG11 ILE 1 -7.628 7.588 1.679
8 1HG2 ILE 1 HG22 ILE 1 -4.768 6.130 2.714
9 2HG2 ILE 1 HG21 ILE 1 -6.492 5.995 3.065
10 3HG2 ILE 1 HG23 ILE 1 -5.642 4.657 2.292
11 1HD1 ILE 1 HD13 ILE 1 -4.732 8.226 1.915
12 2HD1 ILE 1 HD12 ILE 1 -5.827 9.593 1.713
13 3HD1 ILE 1 HD11 ILE 1 -6.039 8.485 3.070
14 H CYS 2 HN CYS 2 -4.477 4.010 -0.502
15 HA CYS 2 HA CYS 2 -2.305 3.491 1.450
16 1HB CYS 2 HB2 CYS 2 -2.719 1.143 0.767
17 2HB CYS 2 HB1 CYS 2 -4.210 1.949 1.252
18 H VAL 3 HN VAL 3 -0.294 3.980 0.729
19 HA VAL 3 HA VAL 3 0.564 2.972 -1.927
20 HB VAL 3 HB VAL 3 0.618 5.805 -0.907
21 1HG1 VAL 3 HG12 VAL 3 2.253 4.507 -3.087
22 2HG1 VAL 3 HG11 VAL 3 1.908 6.237 -3.096
23 3HG1 VAL 3 HG13 VAL 3 2.812 5.523 -1.759
24 1HG2 VAL 3 HG23 VAL 3 -0.620 4.352 -3.232
25 2HG2 VAL 3 HG22 VAL 3 -1.368 5.486 -2.108
26 3HG2 VAL 3 HG21 VAL 3 -0.280 6.078 -3.362
27 H VAL 4 HN VAL 4 1.058 2.864 1.176
28 HA VAL 4 HA VAL 4 3.922 3.446 1.381
29 HB VAL 4 HB VAL 4 2.128 3.603 3.190
30 1HG1 VAL 4 HG13 VAL 4 2.517 0.606 3.134
31 2HG1 VAL 4 HG12 VAL 4 1.714 1.480 4.437
32 3HG1 VAL 4 HG11 VAL 4 1.015 1.476 2.818
33 1HG2 VAL 4 HG22 VAL 4 4.772 3.317 3.408
34 2HG2 VAL 4 HG21 VAL 4 3.724 3.388 4.824
35 3HG2 VAL 4 HG23 VAL 4 4.280 1.829 4.218
36 H GLN 5 HN GLN 5 5.126 1.438 2.531
37 HA GLN 5 HA GLN 5 6.273 -0.567 1.920
38 1HB GLN 5 HB2 GLN 5 3.347 -1.003 2.241
39 2HB GLN 5 HB1 GLN 5 4.318 -2.350 1.662
40 1HG GLN 5 HG2 GLN 5 4.044 -2.209 4.192
41 2HG GLN 5 HG1 GLN 5 5.700 -2.320 3.605
42 1HE2 GLN 5 HE22 GLN 5 4.761 0.778 5.896
43 2HE2 GLN 5 HE21 GLN 5 3.879 -0.679 5.824
44 H ASP 6 HN ASP 6 5.976 1.089 -0.298
45 HA ASP 6 HA ASP 6 4.687 0.377 -2.607
46 1HB ASP 6 HB2 ASP 6 7.640 0.974 -2.256
47 2HB ASP 6 HB1 ASP 6 6.750 1.143 -3.769
48 H TRP 7 HN TRP 7 7.147 -1.510 -0.982
49 HA TRP 7 HA TRP 7 7.255 -3.432 -3.263
50 1HB TRP 7 HB2 TRP 7 9.084 -4.389 -1.637
51 2HB TRP 7 HB1 TRP 7 9.425 -2.925 -2.553
52 HD1 TRP 7 HD1 TRP 7 10.259 -0.982 -1.195
53 HE1 TRP 7 HE1 TRP 7 10.217 -0.274 1.282
54 HE3 TRP 7 HE3 TRP 7 7.383 -4.714 0.715
55 HZ2 TRP 7 HZ2 TRP 7 9.095 -1.181 3.753
56 HZ3 TRP 7 HZ3 TRP 7 6.830 -4.774 3.129
57 HH2 TRP 7 HH2 TRP 7 7.682 -3.013 4.651
58 H GLY 8 HN GLY 8 5.753 -2.973 -0.255
59 1HA GLY 8 HA2 GLY 8 5.072 -5.871 -0.135
60 2HA GLY 8 HA1 GLY 8 5.373 -4.926 1.322
61 H HIS 9 HN HIS 9 3.195 -5.154 -1.485
62 HA HIS 9 HA HIS 9 1.226 -3.315 -0.367
63 1HB HIS 9 HB2 HIS 9 1.080 -5.391 -2.579
64 2HB HIS 9 HB1 HIS 9 -0.062 -4.070 -2.336
65 HD1 HIS 9 HD1 HIS 9 1.259 -3.999 -4.987
66 HD2 HIS 9 HD2 HIS 9 3.069 -2.295 -1.640
67 HE1 HIS 9 HE1 HIS 9 2.915 -2.295 -5.859
68 H HIS 10 HN HIS 10 -0.961 -3.988 0.292
69 HA HIS 10 HA HIS 10 -1.025 -6.737 1.500
70 1HB HIS 10 HB2 HIS 10 -2.284 -4.113 2.357
71 2HB HIS 10 HB1 HIS 10 -2.490 -5.647 3.201
72 HD1 HIS 10 HD1 HIS 10 0.041 -6.821 3.751
73 HD2 HIS 10 HD2 HIS 10 -0.213 -2.669 3.447
74 HE1 HIS 10 HE1 HIS 10 2.086 -5.890 4.919
75 H ARG 11 HN ARG 11 -3.457 -4.224 0.816
76 HA ARG 11 HA ARG 11 -4.795 -5.608 -1.307
77 1HB ARG 11 HB2 ARG 11 -6.755 -6.387 0.150
78 2HB ARG 11 HB1 ARG 11 -5.263 -7.314 0.307
79 1HG ARG 11 HG2 ARG 11 -5.016 -5.210 2.156
80 2HG ARG 11 HG1 ARG 11 -6.678 -5.782 2.321
81 1HD ARG 11 HD2 ARG 11 -5.954 -8.035 2.760
82 2HD ARG 11 HD1 ARG 11 -4.285 -7.650 2.298
83 HE ARG 11 HE ARG 11 -3.988 -6.619 4.409
84 1HH1 ARG 11 HH21 ARG 11 -7.008 -8.088 4.282
85 2HH1 ARG 11 HH22 ARG 11 -7.703 -7.165 5.572
86 1HH2 ARG 11 HH11 ARG 11 -5.011 -4.992 5.826
87 2HH2 ARG 11 HH12 ARG 11 -6.578 -5.416 6.448
88 H CYS 12 HN CYS 12 -4.900 -3.369 -1.992
89 HA CYS 12 HA CYS 12 -6.371 -1.409 -0.373
90 1HB CYS 12 HB2 CYS 12 -5.106 -1.483 -3.124
91 2HB CYS 12 HB1 CYS 12 -5.969 -0.063 -2.526
92 H THR 13 HN THR 13 -6.953 -1.662 -3.812
93 HA THR 13 HA THR 13 -9.612 -2.881 -3.523
94 HB THR 13 HB THR 13 -9.115 0.076 -3.877
95 HG1 THR 13 HG1 THR 13 -9.614 -0.778 -1.818
96 1HG2 THR 13 HG21 THR 13 -11.439 -1.566 -4.874
97 2HG2 THR 13 HG23 THR 13 -11.639 0.131 -4.437
98 3HG2 THR 13 HG22 THR 13 -10.526 -0.323 -5.729
99 1HN NH2 14 HT1 NH2 14 -9.953 -3.973 -5.485
100 2HN NH2 14 HT2 NH2 14 -9.256 -3.543 -6.981
No H/Q in entry = 100
Start of MODEL 5
1 1H ILE 1 HT3 ILE 1 -5.077 5.677 -2.160
2 2H ILE 1 HT2 ILE 1 -6.167 5.733 -0.858
3 3H ILE 1 HT1 ILE 1 -6.207 6.937 -2.056
4 HA ILE 1 HA ILE 1 -4.104 7.808 -1.380
5 HB ILE 1 HB ILE 1 -6.454 8.053 -0.126
6 1HG1 ILE 1 HG12 ILE 1 -4.805 9.841 -0.346
7 2HG1 ILE 1 HG11 ILE 1 -5.377 9.775 1.323
8 1HG2 ILE 1 HG23 ILE 1 -5.579 6.061 1.401
9 2HG2 ILE 1 HG22 ILE 1 -4.758 7.372 2.247
10 3HG2 ILE 1 HG21 ILE 1 -6.515 7.387 2.092
11 1HD1 ILE 1 HD13 ILE 1 -3.373 8.278 1.815
12 2HD1 ILE 1 HD12 ILE 1 -2.761 8.730 0.223
13 3HD1 ILE 1 HD11 ILE 1 -2.997 9.965 1.460
14 H CYS 2 HN CYS 2 -4.609 4.558 -0.519
15 HA CYS 2 HA CYS 2 -2.465 4.430 1.492
16 1HB CYS 2 HB2 CYS 2 -3.136 2.164 1.704
17 2HB CYS 2 HB1 CYS 2 -4.631 3.007 1.301
18 H VAL 3 HN VAL 3 -0.338 4.178 0.986
19 HA VAL 3 HA VAL 3 0.428 2.818 -1.533
20 HB VAL 3 HB VAL 3 1.158 5.644 -0.755
21 1HG1 VAL 3 HG12 VAL 3 2.186 3.781 -2.884
22 2HG1 VAL 3 HG11 VAL 3 2.216 5.527 -3.135
23 3HG1 VAL 3 HG13 VAL 3 3.099 4.815 -1.785
24 1HG2 VAL 3 HG23 VAL 3 -0.497 4.480 -3.012
25 2HG2 VAL 3 HG22 VAL 3 -1.052 5.560 -1.733
26 3HG2 VAL 3 HG21 VAL 3 0.051 6.155 -2.975
27 H VAL 4 HN VAL 4 0.728 2.834 1.562
28 HA VAL 4 HA VAL 4 3.469 3.152 2.238
29 HB VAL 4 HB VAL 4 2.016 2.943 4.031
30 1HG1 VAL 4 HG12 VAL 4 0.720 0.844 2.354
31 2HG1 VAL 4 HG11 VAL 4 0.559 0.689 4.103
32 3HG1 VAL 4 HG13 VAL 4 -0.020 2.143 3.291
33 1HG2 VAL 4 HG23 VAL 4 4.024 1.136 3.916
34 2HG2 VAL 4 HG22 VAL 4 2.978 1.333 5.317
35 3HG2 VAL 4 HG21 VAL 4 2.646 0.064 4.144
36 H GLN 5 HN GLN 5 5.118 1.565 2.482
37 HA GLN 5 HA GLN 5 6.498 -0.130 1.571
38 1HB GLN 5 HB2 GLN 5 3.861 -1.614 1.615
39 2HB GLN 5 HB1 GLN 5 5.476 -2.316 1.708
40 1HG GLN 5 HG2 GLN 5 5.412 -0.399 3.752
41 2HG GLN 5 HG1 GLN 5 3.845 -1.196 3.832
42 1HE2 GLN 5 HE22 GLN 5 5.989 -3.322 5.910
43 2HE2 GLN 5 HE21 GLN 5 5.217 -1.803 6.003
44 H ASP 6 HN ASP 6 6.964 0.692 -0.447
45 HA ASP 6 HA ASP 6 5.260 0.770 -2.737
46 1HB ASP 6 HB2 ASP 6 8.213 0.751 -2.173
47 2HB ASP 6 HB1 ASP 6 7.655 0.669 -3.846
48 H TRP 7 HN TRP 7 6.984 -1.815 -1.207
49 HA TRP 7 HA TRP 7 6.387 -3.629 -3.519
50 1HB TRP 7 HB2 TRP 7 8.305 -4.944 -2.351
51 2HB TRP 7 HB1 TRP 7 8.728 -3.495 -3.254
52 HD1 TRP 7 HD1 TRP 7 10.068 -1.737 -1.985
53 HE1 TRP 7 HE1 TRP 7 10.619 -1.273 0.487
54 HE3 TRP 7 HE3 TRP 7 7.145 -5.265 0.234
55 HZ2 TRP 7 HZ2 TRP 7 9.915 -2.271 3.070
56 HZ3 TRP 7 HZ3 TRP 7 7.104 -5.497 2.703
57 HH2 TRP 7 HH2 TRP 7 8.485 -4.004 4.122
58 H GLY 8 HN GLY 8 5.795 -2.931 -0.220
59 1HA GLY 8 HA2 GLY 8 4.930 -5.679 0.413
60 2HA GLY 8 HA1 GLY 8 4.993 -4.332 1.550
61 H HIS 9 HN HIS 9 3.300 -5.220 -1.465
62 HA HIS 9 HA HIS 9 0.987 -3.553 -0.823
63 1HB HIS 9 HB2 HIS 9 1.596 -5.667 -2.911
64 2HB HIS 9 HB1 HIS 9 0.115 -4.705 -2.898
65 HD1 HIS 9 HD1 HIS 9 0.776 -3.479 -5.108
66 HD2 HIS 9 HD2 HIS 9 3.476 -2.928 -1.982
67 HE1 HIS 9 HE1 HIS 9 2.292 -1.570 -5.799
68 H HIS 10 HN HIS 10 -0.703 -4.185 0.454
69 HA HIS 10 HA HIS 10 -0.906 -7.040 1.259
70 1HB HIS 10 HB2 HIS 10 -1.079 -4.569 2.548
71 2HB HIS 10 HB1 HIS 10 -2.746 -5.143 2.480
72 HD1 HIS 10 HD1 HIS 10 -3.206 -6.219 4.684
73 HD2 HIS 10 HD2 HIS 10 0.551 -7.269 3.220
74 HE1 HIS 10 HE1 HIS 10 -2.250 -7.906 6.313
75 H ARG 11 HN ARG 11 -3.462 -4.585 0.850
76 HA ARG 11 HA ARG 11 -4.734 -5.821 -1.419
77 1HB ARG 11 HB2 ARG 11 -6.514 -7.019 -0.198
78 2HB ARG 11 HB1 ARG 11 -4.926 -7.650 0.235
79 1HG ARG 11 HG2 ARG 11 -5.410 -5.507 2.007
80 2HG ARG 11 HG1 ARG 11 -6.912 -6.433 1.941
81 1HD ARG 11 HD2 ARG 11 -4.144 -7.503 2.591
82 2HD ARG 11 HD1 ARG 11 -5.554 -7.439 3.667
83 HE ARG 11 HE ARG 11 -6.679 -9.041 2.110
84 1HH1 ARG 11 HH21 ARG 11 -3.507 -9.465 2.988
85 2HH1 ARG 11 HH22 ARG 11 -3.101 -10.576 1.725
86 1HH2 ARG 11 HH11 ARG 11 -6.064 -10.098 -0.017
87 2HH2 ARG 11 HH12 ARG 11 -4.539 -10.928 0.018
88 H CYS 12 HN CYS 12 -4.543 -3.227 -1.283
89 HA CYS 12 HA CYS 12 -6.549 -1.831 0.288
90 1HB CYS 12 HB2 CYS 12 -4.596 -1.269 -1.887
91 2HB CYS 12 HB1 CYS 12 -5.926 -0.127 -1.704
92 H THR 13 HN THR 13 -6.339 -1.742 -3.250
93 HA THR 13 HA THR 13 -9.194 -2.592 -3.467
94 HB THR 13 HB THR 13 -8.282 -0.196 -5.007
95 HG1 THR 13 HG1 THR 13 -9.185 0.094 -2.360
96 1HG2 THR 13 HG21 THR 13 -10.825 -1.101 -3.640
97 2HG2 THR 13 HG23 THR 13 -10.642 0.505 -4.347
98 3HG2 THR 13 HG22 THR 13 -10.535 -0.926 -5.371
99 1HN NH2 14 HT1 NH2 14 -9.552 -3.767 -5.419
100 2HN NH2 14 HT2 NH2 14 -8.367 -3.981 -6.627
No H/Q in entry = 100
Start of MODEL 6
1 1H ILE 1 HT2 ILE 1 -6.630 5.051 1.440
2 2H ILE 1 HT1 ILE 1 -7.718 4.825 0.155
3 3H ILE 1 HT3 ILE 1 -6.990 3.484 0.894
4 HA ILE 1 HA ILE 1 -5.845 3.810 -1.141
5 HB ILE 1 HB ILE 1 -6.462 5.940 -1.825
6 1HG1 ILE 1 HG12 ILE 1 -3.880 5.540 -1.877
7 2HG1 ILE 1 HG11 ILE 1 -4.494 7.156 -2.218
8 1HG2 ILE 1 HG22 ILE 1 -5.745 6.888 0.961
9 2HG2 ILE 1 HG21 ILE 1 -6.241 7.967 -0.345
10 3HG2 ILE 1 HG23 ILE 1 -7.359 6.745 0.265
11 1HD1 ILE 1 HD11 ILE 1 -4.086 6.748 0.638
12 2HD1 ILE 1 HD13 ILE 1 -2.603 6.476 -0.274
13 3HD1 ILE 1 HD12 ILE 1 -3.452 8.016 -0.410
14 H CYS 2 HN CYS 2 -3.708 3.154 -1.096
15 HA CYS 2 HA CYS 2 -2.009 4.004 1.213
16 1HB CYS 2 HB2 CYS 2 -2.184 1.139 0.281
17 2HB CYS 2 HB1 CYS 2 -1.592 1.754 1.821
18 H VAL 3 HN VAL 3 -0.230 4.893 0.221
19 HA VAL 3 HA VAL 3 0.758 3.625 -2.296
20 HB VAL 3 HB VAL 3 0.888 6.386 -1.104
21 1HG1 VAL 3 HG13 VAL 3 2.599 5.131 -3.227
22 2HG1 VAL 3 HG12 VAL 3 2.147 6.830 -3.383
23 3HG1 VAL 3 HG11 VAL 3 3.050 6.281 -1.969
24 1HG2 VAL 3 HG23 VAL 3 -0.317 5.120 -3.563
25 2HG2 VAL 3 HG22 VAL 3 -1.108 6.109 -2.337
26 3HG2 VAL 3 HG21 VAL 3 -0.014 6.855 -3.503
27 H VAL 4 HN VAL 4 1.323 3.358 0.805
28 HA VAL 4 HA VAL 4 4.290 3.575 0.734
29 HB VAL 4 HB VAL 4 3.298 4.517 2.679
30 1HG1 VAL 4 HG12 VAL 4 1.536 2.098 2.543
31 2HG1 VAL 4 HG11 VAL 4 1.780 2.895 4.097
32 3HG1 VAL 4 HG13 VAL 4 1.085 3.792 2.747
33 1HG2 VAL 4 HG21 VAL 4 5.225 3.018 3.162
34 2HG2 VAL 4 HG23 VAL 4 4.092 3.102 4.510
35 3HG2 VAL 4 HG22 VAL 4 4.092 1.696 3.450
36 H GLN 5 HN GLN 5 5.428 1.675 1.848
37 HA GLN 5 HA GLN 5 5.934 -0.640 1.924
38 1HB GLN 5 HB2 GLN 5 3.099 -0.273 2.334
39 2HB GLN 5 HB1 GLN 5 3.397 -1.774 1.468
40 1HG GLN 5 HG2 GLN 5 4.095 -2.749 3.377
41 2HG GLN 5 HG1 GLN 5 5.365 -1.533 3.528
42 1HE2 GLN 5 HE22 GLN 5 2.125 -1.316 5.943
43 2HE2 GLN 5 HE21 GLN 5 2.355 -2.614 4.861
44 H ASP 6 HN ASP 6 5.940 0.855 -0.540
45 HA ASP 6 HA ASP 6 4.813 -0.177 -2.837
46 1HB ASP 6 HB2 ASP 6 7.611 0.712 -2.139
47 2HB ASP 6 HB1 ASP 6 7.167 0.316 -3.799
48 H TRP 7 HN TRP 7 7.243 -1.682 -0.802
49 HA TRP 7 HA TRP 7 7.593 -3.955 -2.691
50 1HB TRP 7 HB2 TRP 7 9.187 -4.634 -0.736
51 2HB TRP 7 HB1 TRP 7 9.641 -3.277 -1.759
52 HD1 TRP 7 HD1 TRP 7 10.241 -1.162 -0.538
53 HE1 TRP 7 HE1 TRP 7 9.858 -0.188 1.814
54 HE3 TRP 7 HE3 TRP 7 7.187 -4.745 1.394
55 HZ2 TRP 7 HZ2 TRP 7 8.436 -0.849 4.203
56 HZ3 TRP 7 HZ3 TRP 7 6.325 -4.554 3.711
57 HH2 TRP 7 HH2 TRP 7 6.946 -2.610 5.118
58 H GLY 8 HN GLY 8 5.743 -3.071 0.018
59 1HA GLY 8 HA2 GLY 8 4.976 -5.921 0.445
60 2HA GLY 8 HA1 GLY 8 5.104 -4.778 1.783
61 H HIS 9 HN HIS 9 3.347 -5.348 -1.260
62 HA HIS 9 HA HIS 9 1.339 -3.322 -0.680
63 1HB HIS 9 HB2 HIS 9 1.746 -5.535 -2.688
64 2HB HIS 9 HB1 HIS 9 0.224 -4.640 -2.639
65 HD1 HIS 9 HD1 HIS 9 2.394 -4.444 -4.982
66 HD2 HIS 9 HD2 HIS 9 1.895 -1.710 -1.877
67 HE1 HIS 9 HE1 HIS 9 3.362 -2.249 -5.799
68 H HIS 10 HN HIS 10 -0.995 -3.925 -0.529
69 HA HIS 10 HA HIS 10 -1.452 -6.464 0.995
70 1HB HIS 10 HB2 HIS 10 -2.335 -3.621 1.602
71 2HB HIS 10 HB1 HIS 10 -2.895 -5.038 2.491
72 HD1 HIS 10 HD1 HIS 10 -0.536 -6.638 3.120
73 HD2 HIS 10 HD2 HIS 10 -0.275 -2.478 3.027
74 HE1 HIS 10 HE1 HIS 10 1.494 -6.017 4.499
75 H ARG 11 HN ARG 11 -3.866 -3.972 0.590
76 HA ARG 11 HA ARG 11 -4.988 -4.854 -1.909
77 1HB ARG 11 HB2 ARG 11 -6.857 -6.181 -0.962
78 2HB ARG 11 HB1 ARG 11 -5.297 -6.908 -0.574
79 1HG ARG 11 HG2 ARG 11 -5.656 -5.181 1.533
80 2HG ARG 11 HG1 ARG 11 -7.306 -5.719 1.217
81 1HD ARG 11 HD2 ARG 11 -6.700 -8.032 1.485
82 2HD ARG 11 HD1 ARG 11 -4.969 -7.636 1.500
83 HE ARG 11 HE ARG 11 -5.374 -6.409 3.636
84 1HH1 ARG 11 HH11 ARG 11 -8.459 -6.884 2.806
85 2HH1 ARG 11 HH12 ARG 11 -8.929 -7.838 4.181
86 1HH2 ARG 11 HH21 ARG 11 -5.674 -8.363 5.256
87 2HH2 ARG 11 HH22 ARG 11 -7.349 -8.678 5.561
88 H CYS 12 HN CYS 12 -4.631 -2.311 -1.038
89 HA CYS 12 HA CYS 12 -6.970 -1.254 0.367
90 1HB CYS 12 HB2 CYS 12 -4.610 -0.089 -1.136
91 2HB CYS 12 HB1 CYS 12 -5.846 0.924 -0.383
92 H THR 13 HN THR 13 -6.702 -2.545 -2.640
93 HA THR 13 HA THR 13 -9.060 -1.108 -3.643
94 HB THR 13 HB THR 13 -6.270 -0.761 -4.739
95 HG1 THR 13 HG1 THR 13 -7.033 0.835 -3.381
96 1HG2 THR 13 HG23 THR 13 -8.819 -0.933 -6.239
97 2HG2 THR 13 HG22 THR 13 -7.817 0.472 -6.605
98 3HG2 THR 13 HG21 THR 13 -7.161 -1.153 -6.802
99 1HN NH2 14 HT1 NH2 14 -10.264 -2.834 -4.486
100 2HN NH2 14 HT2 NH2 14 -9.614 -4.162 -5.337
No H/Q in entry = 100
Start of MODEL 7
1 1H ILE 1 HT1 ILE 1 -5.301 4.971 -1.367
2 2H ILE 1 HT3 ILE 1 -6.489 5.660 -0.371
3 3H ILE 1 HT2 ILE 1 -6.039 6.435 -1.815
4 HA ILE 1 HA ILE 1 -4.169 7.328 -0.945
5 HB ILE 1 HB ILE 1 -6.451 7.412 0.578
6 1HG1 ILE 1 HG12 ILE 1 -4.824 9.240 -0.072
7 2HG1 ILE 1 HG11 ILE 1 -5.515 9.400 1.544
8 1HG2 ILE 1 HG22 ILE 1 -5.390 5.624 2.071
9 2HG2 ILE 1 HG21 ILE 1 -4.235 6.863 2.560
10 3HG2 ILE 1 HG23 ILE 1 -5.955 7.084 2.885
11 1HD1 ILE 1 HD11 ILE 1 -3.016 7.818 1.378
12 2HD1 ILE 1 HD13 ILE 1 -2.846 9.538 1.034
13 3HD1 ILE 1 HD12 ILE 1 -3.516 9.009 2.577
14 H CYS 2 HN CYS 2 -4.905 4.156 0.328
15 HA CYS 2 HA CYS 2 -2.512 3.822 1.931
16 1HB CYS 2 HB2 CYS 2 -3.187 1.405 1.734
17 2HB CYS 2 HB1 CYS 2 -4.497 2.460 2.262
18 H VAL 3 HN VAL 3 -0.528 3.983 0.945
19 HA VAL 3 HA VAL 3 -0.021 2.291 -1.452
20 HB VAL 3 HB VAL 3 0.516 5.237 -1.085
21 1HG1 VAL 3 HG13 VAL 3 1.876 3.216 -2.766
22 2HG1 VAL 3 HG12 VAL 3 1.389 4.688 -3.609
23 3HG1 VAL 3 HG11 VAL 3 2.452 4.784 -2.203
24 1HG2 VAL 3 HG22 VAL 3 -1.692 4.052 -2.095
25 2HG2 VAL 3 HG21 VAL 3 -1.084 5.589 -2.703
26 3HG2 VAL 3 HG23 VAL 3 -0.701 4.091 -3.550
27 H VAL 4 HN VAL 4 0.742 2.777 1.560
28 HA VAL 4 HA VAL 4 3.526 3.250 1.761
29 HB VAL 4 HB VAL 4 2.350 3.195 3.774
30 1HG1 VAL 4 HG11 VAL 4 1.027 0.784 2.589
31 2HG1 VAL 4 HG13 VAL 4 1.050 0.958 4.344
32 3HG1 VAL 4 HG12 VAL 4 0.297 2.200 3.344
33 1HG2 VAL 4 HG23 VAL 4 3.671 0.479 3.546
34 2HG2 VAL 4 HG22 VAL 4 4.432 1.976 4.086
35 3HG2 VAL 4 HG21 VAL 4 3.175 1.222 5.067
36 H GLN 5 HN GLN 5 5.214 1.592 2.237
37 HA GLN 5 HA GLN 5 6.566 -0.125 1.339
38 1HB GLN 5 HB2 GLN 5 3.915 -1.354 2.065
39 2HB GLN 5 HB1 GLN 5 5.251 -2.340 1.472
40 1HG GLN 5 HG2 GLN 5 6.663 -1.126 3.291
41 2HG GLN 5 HG1 GLN 5 5.104 -0.702 3.997
42 1HE2 GLN 5 HE22 GLN 5 6.334 -4.065 5.305
43 2HE2 GLN 5 HE21 GLN 5 7.107 -2.550 5.175
44 H ASP 6 HN ASP 6 6.918 0.448 -0.761
45 HA ASP 6 HA ASP 6 5.045 0.292 -2.931
46 1HB ASP 6 HB2 ASP 6 8.064 0.299 -2.712
47 2HB ASP 6 HB1 ASP 6 7.228 0.369 -4.262
48 H TRP 7 HN TRP 7 7.541 -1.937 -1.765
49 HA TRP 7 HA TRP 7 6.715 -3.997 -3.737
50 1HB TRP 7 HB2 TRP 7 8.662 -5.209 -2.550
51 2HB TRP 7 HB1 TRP 7 9.062 -3.774 -3.487
52 HD1 TRP 7 HD1 TRP 7 10.369 -1.967 -2.269
53 HE1 TRP 7 HE1 TRP 7 10.938 -1.443 0.191
54 HE3 TRP 7 HE3 TRP 7 7.521 -5.496 0.056
55 HZ2 TRP 7 HZ2 TRP 7 10.271 -2.403 2.804
56 HZ3 TRP 7 HZ3 TRP 7 7.503 -5.676 2.529
57 HH2 TRP 7 HH2 TRP 7 8.873 -4.134 3.905
58 H GLY 8 HN GLY 8 6.134 -3.091 -0.489
59 1HA GLY 8 HA2 GLY 8 4.990 -5.787 0.099
60 2HA GLY 8 HA1 GLY 8 5.584 -4.685 1.342
61 H HIS 9 HN HIS 9 3.144 -4.843 -1.263
62 HA HIS 9 HA HIS 9 1.520 -2.718 -0.072
63 1HB HIS 9 HB2 HIS 9 1.443 -4.586 -2.407
64 2HB HIS 9 HB1 HIS 9 -0.091 -3.883 -1.883
65 HD1 HIS 9 HD1 HIS 9 0.850 -2.973 -4.575
66 HD2 HIS 9 HD2 HIS 9 2.058 -1.062 -1.073
67 HE1 HIS 9 HE1 HIS 9 1.553 -0.634 -5.243
68 H HIS 10 HN HIS 10 -1.014 -3.492 0.059
69 HA HIS 10 HA HIS 10 -1.064 -5.921 1.822
70 1HB HIS 10 HB2 HIS 10 -2.337 -3.189 2.092
71 2HB HIS 10 HB1 HIS 10 -2.872 -4.574 3.046
72 HD1 HIS 10 HD1 HIS 10 0.333 -5.571 2.998
73 HD2 HIS 10 HD2 HIS 10 -1.332 -2.115 4.631
74 HE1 HIS 10 HE1 HIS 10 1.956 -4.761 4.763
75 H ARG 11 HN ARG 11 -3.981 -4.136 1.292
76 HA ARG 11 HA ARG 11 -4.813 -5.744 -1.040
77 1HB ARG 11 HB2 ARG 11 -6.755 -6.646 0.402
78 2HB ARG 11 HB1 ARG 11 -5.164 -7.359 0.674
79 1HG ARG 11 HG2 ARG 11 -4.845 -6.209 2.688
80 2HG ARG 11 HG1 ARG 11 -6.034 -4.969 2.279
81 1HD ARG 11 HD2 ARG 11 -7.419 -6.176 3.649
82 2HD ARG 11 HD1 ARG 11 -7.576 -7.256 2.252
83 HE ARG 11 HE ARG 11 -5.177 -7.895 3.689
84 1HH1 ARG 11 HH21 ARG 11 -8.135 -7.514 5.124
85 2HH1 ARG 11 HH22 ARG 11 -8.364 -9.174 5.555
86 1HH2 ARG 11 HH11 ARG 11 -5.667 -10.306 3.691
87 2HH2 ARG 11 HH12 ARG 11 -6.967 -10.755 4.752
88 H CYS 12 HN CYS 12 -4.725 -3.119 -1.242
89 HA CYS 12 HA CYS 12 -7.078 -1.721 -0.223
90 1HB CYS 12 HB2 CYS 12 -4.907 -1.145 -2.260
91 2HB CYS 12 HB1 CYS 12 -6.164 0.026 -1.845
92 H THR 13 HN THR 13 -6.356 -1.320 -3.603
93 HA THR 13 HA THR 13 -8.711 -2.933 -4.434
94 HB THR 13 HB THR 13 -9.116 -0.422 -3.693
95 HG1 THR 13 HG1 THR 13 -10.935 -0.874 -4.594
96 1HG2 THR 13 HG22 THR 13 -7.313 0.375 -5.308
97 2HG2 THR 13 HG21 THR 13 -8.430 -0.038 -6.610
98 3HG2 THR 13 HG23 THR 13 -8.869 1.198 -5.429
99 1HN NH2 14 HT1 NH2 14 -5.537 -2.123 -5.010
100 2HN NH2 14 HT2 NH2 14 -5.484 -2.331 -6.697
No H/Q in entry = 100
Start of MODEL 8
1 1H ILE 1 HT2 ILE 1 -5.995 3.855 -1.425
2 2H ILE 1 HT1 ILE 1 -6.610 4.445 0.043
3 3H ILE 1 HT3 ILE 1 -7.194 5.058 -1.425
4 HA ILE 1 HA ILE 1 -5.105 6.119 -1.905
5 HB ILE 1 HB ILE 1 -6.857 7.124 -0.376
6 1HG1 ILE 1 HG12 ILE 1 -5.416 8.922 0.397
7 2HG1 ILE 1 HG11 ILE 1 -4.004 7.869 0.331
8 1HG2 ILE 1 HG23 ILE 1 -5.454 5.425 1.504
9 2HG2 ILE 1 HG22 ILE 1 -5.417 7.100 2.050
10 3HG2 ILE 1 HG21 ILE 1 -6.961 6.311 1.726
11 1HD1 ILE 1 HD12 ILE 1 -5.502 8.007 -2.198
12 2HD1 ILE 1 HD11 ILE 1 -4.795 9.545 -1.699
13 3HD1 ILE 1 HD13 ILE 1 -3.765 8.128 -1.910
14 H CYS 2 HN CYS 2 -4.964 3.621 0.438
15 HA CYS 2 HA CYS 2 -2.424 4.249 1.647
16 1HB CYS 2 HB2 CYS 2 -2.483 1.661 2.051
17 2HB CYS 2 HB1 CYS 2 -3.696 2.674 2.821
18 H VAL 3 HN VAL 3 -0.604 4.479 0.479
19 HA VAL 3 HA VAL 3 -0.051 2.530 -1.725
20 HB VAL 3 HB VAL 3 0.569 5.457 -1.325
21 1HG1 VAL 3 HG13 VAL 3 1.789 3.461 -3.230
22 2HG1 VAL 3 HG12 VAL 3 1.690 5.172 -3.649
23 3HG1 VAL 3 HG11 VAL 3 2.599 4.665 -2.226
24 1HG2 VAL 3 HG23 VAL 3 -1.230 3.832 -3.039
25 2HG2 VAL 3 HG22 VAL 3 -1.442 5.470 -2.415
26 3HG2 VAL 3 HG21 VAL 3 -0.431 5.191 -3.834
27 H VAL 4 HN VAL 4 0.638 2.991 1.303
28 HA VAL 4 HA VAL 4 3.415 3.332 1.646
29 HB VAL 4 HB VAL 4 2.054 3.308 3.562
30 1HG1 VAL 4 HG12 VAL 4 0.861 0.858 2.307
31 2HG1 VAL 4 HG11 VAL 4 0.722 1.081 4.051
32 3HG1 VAL 4 HG13 VAL 4 0.051 2.284 2.950
33 1HG2 VAL 4 HG22 VAL 4 4.159 2.059 3.931
34 2HG2 VAL 4 HG21 VAL 4 2.858 1.450 4.951
35 3HG2 VAL 4 HG23 VAL 4 3.334 0.560 3.506
36 H GLN 5 HN GLN 5 4.924 1.500 2.327
37 HA GLN 5 HA GLN 5 6.242 -0.289 1.514
38 1HB GLN 5 HB2 GLN 5 3.432 -1.348 1.788
39 2HB GLN 5 HB1 GLN 5 4.813 -2.388 1.444
40 1HG GLN 5 HG2 GLN 5 5.780 -2.036 3.527
41 2HG GLN 5 HG1 GLN 5 4.995 -0.468 3.737
42 1HE2 GLN 5 HE22 GLN 5 3.297 -3.587 5.478
43 2HE2 GLN 5 HE21 GLN 5 4.942 -3.476 5.037
44 H ASP 6 HN ASP 6 6.812 0.438 -0.546
45 HA ASP 6 HA ASP 6 5.084 0.174 -2.886
46 1HB ASP 6 HB2 ASP 6 7.581 1.338 -2.108
47 2HB ASP 6 HB1 ASP 6 7.864 0.337 -3.531
48 H TRP 7 HN TRP 7 7.214 -1.866 -1.129
49 HA TRP 7 HA TRP 7 7.318 -3.873 -3.354
50 1HB TRP 7 HB2 TRP 7 9.145 -4.761 -1.626
51 2HB TRP 7 HB1 TRP 7 9.528 -3.465 -2.753
52 HD1 TRP 7 HD1 TRP 7 10.225 -1.229 -1.769
53 HE1 TRP 7 HE1 TRP 7 10.349 -0.213 0.594
54 HE3 TRP 7 HE3 TRP 7 7.831 -4.869 0.841
55 HZ2 TRP 7 HZ2 TRP 7 9.530 -0.873 3.254
56 HZ3 TRP 7 HZ3 TRP 7 7.508 -4.663 3.291
57 HH2 TRP 7 HH2 TRP 7 8.353 -2.669 4.500
58 H GLY 8 HN GLY 8 5.967 -3.145 -0.318
59 1HA GLY 8 HA2 GLY 8 5.152 -5.988 0.028
60 2HA GLY 8 HA1 GLY 8 5.532 -4.948 1.401
61 H HIS 9 HN HIS 9 3.290 -5.266 -1.348
62 HA HIS 9 HA HIS 9 1.451 -3.242 -0.329
63 1HB HIS 9 HB2 HIS 9 0.798 -5.453 -2.279
64 2HB HIS 9 HB1 HIS 9 0.208 -3.791 -2.265
65 HD1 HIS 9 HD1 HIS 9 1.658 -5.171 -4.733
66 HD2 HIS 9 HD2 HIS 9 3.475 -2.601 -2.001
67 HE1 HIS 9 HE1 HIS 9 3.672 -4.189 -5.909
68 H HIS 10 HN HIS 10 -1.010 -4.206 -0.272
69 HA HIS 10 HA HIS 10 -1.126 -6.731 1.289
70 1HB HIS 10 HB2 HIS 10 -1.024 -4.115 2.421
71 2HB HIS 10 HB1 HIS 10 -2.668 -4.717 2.639
72 HD1 HIS 10 HD1 HIS 10 -3.029 -6.510 4.385
73 HD2 HIS 10 HD2 HIS 10 1.012 -5.899 3.559
74 HE1 HIS 10 HE1 HIS 10 -1.735 -7.879 6.081
75 H ARG 11 HN ARG 11 -3.353 -3.990 0.987
76 HA ARG 11 HA ARG 11 -4.975 -5.151 -1.103
77 1HB ARG 11 HB2 ARG 11 -6.875 -5.787 0.426
78 2HB ARG 11 HB1 ARG 11 -5.439 -6.791 0.637
79 1HG ARG 11 HG2 ARG 11 -5.296 -4.430 2.311
80 2HG ARG 11 HG1 ARG 11 -6.773 -5.337 2.634
81 1HD ARG 11 HD2 ARG 11 -3.941 -6.443 2.667
82 2HD ARG 11 HD1 ARG 11 -5.013 -6.230 4.066
83 HE ARG 11 HE ARG 11 -6.554 -7.756 2.394
84 1HH1 ARG 11 HH21 ARG 11 -4.753 -9.201 0.919
85 2HH1 ARG 11 HH22 ARG 11 -4.062 -10.389 1.971
86 1HH2 ARG 11 HH11 ARG 11 -5.039 -8.770 4.878
87 2HH2 ARG 11 HH12 ARG 11 -4.216 -10.143 4.208
88 H CYS 12 HN CYS 12 -4.817 -2.880 -1.742
89 HA CYS 12 HA CYS 12 -6.254 -0.938 0.001
90 1HB CYS 12 HB2 CYS 12 -4.278 -0.806 -2.269
91 2HB CYS 12 HB1 CYS 12 -5.211 0.623 -1.815
92 H THR 13 HN THR 13 -5.975 -1.246 -3.542
93 HA THR 13 HA THR 13 -8.908 -0.685 -3.756
94 HB THR 13 HB THR 13 -7.168 -0.667 -6.149
95 HG1 THR 13 HG1 THR 13 -5.680 0.530 -5.331
96 1HG2 THR 13 HG23 THR 13 -9.298 1.024 -4.891
97 2HG2 THR 13 HG22 THR 13 -8.233 1.752 -6.094
98 3HG2 THR 13 HG21 THR 13 -9.219 0.353 -6.521
99 1HN NH2 14 HT1 NH2 14 -10.037 -2.678 -3.895
100 2HN NH2 14 HT2 NH2 14 -9.582 -3.972 -4.911
No H/Q in entry = 100
Start of MODEL 9
1 1H ILE 1 HT2 ILE 1 -7.141 4.425 0.747
2 2H ILE 1 HT1 ILE 1 -7.884 5.756 0.000
3 3H ILE 1 HT3 ILE 1 -7.646 4.319 -0.870
4 HA ILE 1 HA ILE 1 -5.790 5.289 -1.657
5 HB ILE 1 HB ILE 1 -6.667 7.426 -0.863
6 1HG1 ILE 1 HG12 ILE 1 -3.843 7.322 0.185
7 2HG1 ILE 1 HG11 ILE 1 -4.166 7.064 -1.530
8 1HG2 ILE 1 HG22 ILE 1 -5.521 6.533 1.800
9 2HG2 ILE 1 HG21 ILE 1 -6.045 8.184 1.464
10 3HG2 ILE 1 HG23 ILE 1 -7.212 6.864 1.425
11 1HD1 ILE 1 HD13 ILE 1 -5.473 9.409 -0.224
12 2HD1 ILE 1 HD12 ILE 1 -3.741 9.514 -0.539
13 3HD1 ILE 1 HD11 ILE 1 -4.863 9.235 -1.870
14 H CYS 2 HN CYS 2 -3.686 4.509 -1.464
15 HA CYS 2 HA CYS 2 -2.361 4.151 1.102
16 1HB CYS 2 HB2 CYS 2 -2.401 1.633 0.945
17 2HB CYS 2 HB1 CYS 2 -3.982 2.349 1.255
18 H VAL 3 HN VAL 3 -0.271 4.575 0.503
19 HA VAL 3 HA VAL 3 0.763 3.338 -2.020
20 HB VAL 3 HB VAL 3 1.065 6.107 -0.867
21 1HG1 VAL 3 HG11 VAL 3 2.771 4.612 -2.825
22 2HG1 VAL 3 HG13 VAL 3 2.503 6.336 -3.083
23 3HG1 VAL 3 HG12 VAL 3 3.248 5.774 -1.587
24 1HG2 VAL 3 HG22 VAL 3 -0.219 4.879 -3.276
25 2HG2 VAL 3 HG21 VAL 3 -0.806 6.178 -2.238
26 3HG2 VAL 3 HG23 VAL 3 0.450 6.502 -3.432
27 H VAL 4 HN VAL 4 0.912 2.997 1.069
28 HA VAL 4 HA VAL 4 3.697 3.333 1.790
29 HB VAL 4 HB VAL 4 2.104 3.272 3.537
30 1HG1 VAL 4 HG12 VAL 4 0.912 1.169 1.875
31 2HG1 VAL 4 HG11 VAL 4 0.871 0.803 3.597
32 3HG1 VAL 4 HG13 VAL 4 0.134 2.286 2.996
33 1HG2 VAL 4 HG22 VAL 4 4.151 1.982 4.052
34 2HG2 VAL 4 HG21 VAL 4 2.749 1.329 4.897
35 3HG2 VAL 4 HG23 VAL 4 3.365 0.518 3.458
36 H GLN 5 HN GLN 5 5.039 1.413 2.453
37 HA GLN 5 HA GLN 5 6.359 -0.375 1.596
38 1HB GLN 5 HB2 GLN 5 3.525 -1.317 1.911
39 2HB GLN 5 HB1 GLN 5 4.802 -2.422 1.410
40 1HG GLN 5 HG2 GLN 5 6.119 -1.685 3.434
41 2HG GLN 5 HG1 GLN 5 4.682 -0.815 3.972
42 1HE2 GLN 5 HE22 GLN 5 4.914 -4.626 4.955
43 2HE2 GLN 5 HE21 GLN 5 6.233 -3.591 4.644
44 H ASP 6 HN ASP 6 6.911 0.474 -0.441
45 HA ASP 6 HA ASP 6 5.259 0.274 -2.805
46 1HB ASP 6 HB2 ASP 6 7.494 1.604 -2.047
47 2HB ASP 6 HB1 ASP 6 8.224 0.304 -2.990
48 H TRP 7 HN TRP 7 7.235 -1.968 -1.075
49 HA TRP 7 HA TRP 7 7.161 -3.886 -3.381
50 1HB TRP 7 HB2 TRP 7 9.114 -4.876 -1.945
51 2HB TRP 7 HB1 TRP 7 9.415 -3.438 -2.912
52 HD1 TRP 7 HD1 TRP 7 10.379 -1.450 -1.673
53 HE1 TRP 7 HE1 TRP 7 10.629 -0.746 0.793
54 HE3 TRP 7 HE3 TRP 7 7.735 -5.176 0.549
55 HZ2 TRP 7 HZ2 TRP 7 9.800 -1.656 3.380
56 HZ3 TRP 7 HZ3 TRP 7 7.470 -5.247 3.013
57 HH2 TRP 7 HH2 TRP 7 8.499 -3.490 4.430
58 H GLY 8 HN GLY 8 6.023 -3.211 -0.264
59 1HA GLY 8 HA2 GLY 8 5.279 -6.062 0.167
60 2HA GLY 8 HA1 GLY 8 5.602 -4.942 1.492
61 H HIS 9 HN HIS 9 3.398 -5.594 -1.187
62 HA HIS 9 HA HIS 9 1.466 -3.550 -0.428
63 1HB HIS 9 HB2 HIS 9 0.972 -6.004 -2.123
64 2HB HIS 9 HB1 HIS 9 0.260 -4.398 -2.289
65 HD1 HIS 9 HD1 HIS 9 1.857 -5.878 -4.595
66 HD2 HIS 9 HD2 HIS 9 3.426 -2.962 -2.062
67 HE1 HIS 9 HE1 HIS 9 3.830 -4.857 -5.811
68 H HIS 10 HN HIS 10 -0.746 -4.040 0.279
69 HA HIS 10 HA HIS 10 -0.934 -6.499 1.992
70 1HB HIS 10 HB2 HIS 10 -0.944 -3.764 2.653
71 2HB HIS 10 HB1 HIS 10 -2.627 -4.275 2.780
72 HD1 HIS 10 HD1 HIS 10 -2.614 -4.260 5.372
73 HD2 HIS 10 HD2 HIS 10 0.224 -6.815 3.701
74 HE1 HIS 10 HE1 HIS 10 -1.757 -5.710 7.262
75 H ARG 11 HN ARG 11 -3.335 -4.034 1.079
76 HA ARG 11 HA ARG 11 -4.689 -5.557 -0.889
77 1HB ARG 11 HB2 ARG 11 -6.039 -6.936 0.330
78 2HB ARG 11 HB1 ARG 11 -4.857 -6.688 1.605
79 1HG ARG 11 HG2 ARG 11 -7.086 -4.711 1.389
80 2HG ARG 11 HG1 ARG 11 -7.458 -6.304 2.011
81 1HD ARG 11 HD2 ARG 11 -6.303 -5.967 3.951
82 2HD ARG 11 HD1 ARG 11 -5.012 -5.060 3.139
83 HE ARG 11 HE ARG 11 -7.714 -3.885 3.693
84 1HH1 ARG 11 HH21 ARG 11 -4.601 -3.379 2.469
85 2HH1 ARG 11 HH22 ARG 11 -4.354 -1.863 3.268
86 1HH2 ARG 11 HH11 ARG 11 -7.282 -2.053 5.117
87 2HH2 ARG 11 HH12 ARG 11 -5.874 -1.103 4.753
88 H CYS 12 HN CYS 12 -5.360 -3.819 -1.984
89 HA CYS 12 HA CYS 12 -6.862 -1.671 -0.542
90 1HB CYS 12 HB2 CYS 12 -4.459 -1.629 -2.309
91 2HB CYS 12 HB1 CYS 12 -5.613 -0.306 -2.493
92 H THR 13 HN THR 13 -7.715 -0.144 -2.590
93 HA THR 13 HA THR 13 -9.218 -2.049 -4.358
94 HB THR 13 HB THR 13 -10.967 -0.296 -4.299
95 HG1 THR 13 HG1 THR 13 -9.573 1.068 -2.316
96 1HG2 THR 13 HG22 THR 13 -9.840 -1.202 -1.645
97 2HG2 THR 13 HG21 THR 13 -11.402 -0.397 -1.797
98 3HG2 THR 13 HG23 THR 13 -11.131 -1.953 -2.582
99 1HN NH2 14 HT1 NH2 14 -10.151 0.555 -5.774
100 2HN NH2 14 HT2 NH2 14 -8.875 0.917 -6.844
No H/Q in entry = 100
Start of MODEL 10
1 1H ILE 1 HT3 ILE 1 -6.535 3.292 -0.666
2 2H ILE 1 HT2 ILE 1 -7.229 4.347 0.470
3 3H ILE 1 HT1 ILE 1 -7.706 4.415 -1.159
4 HA ILE 1 HA ILE 1 -5.557 5.219 -1.831
5 HB ILE 1 HB ILE 1 -7.411 6.694 -0.976
6 1HG1 ILE 1 HG12 ILE 1 -5.267 7.590 -1.954
7 2HG1 ILE 1 HG11 ILE 1 -6.038 8.688 -0.810
8 1HG2 ILE 1 HG22 ILE 1 -6.553 5.757 1.509
9 2HG2 ILE 1 HG21 ILE 1 -6.016 7.437 1.470
10 3HG2 ILE 1 HG23 ILE 1 -7.719 7.050 1.226
11 1HD1 ILE 1 HD13 ILE 1 -4.517 7.528 0.964
12 2HD1 ILE 1 HD12 ILE 1 -3.577 6.995 -0.430
13 3HD1 ILE 1 HD11 ILE 1 -3.794 8.715 -0.119
14 H CYS 2 HN CYS 2 -3.793 3.816 -1.299
15 HA CYS 2 HA CYS 2 -2.203 4.716 1.020
16 1HB CYS 2 HB2 CYS 2 -1.990 1.957 1.258
17 2HB CYS 2 HB1 CYS 2 -2.939 2.999 2.309
18 H VAL 3 HN VAL 3 -0.151 4.923 0.297
19 HA VAL 3 HA VAL 3 0.737 3.217 -1.996
20 HB VAL 3 HB VAL 3 1.194 6.075 -1.181
21 1HG1 VAL 3 HG13 VAL 3 2.941 4.295 -2.840
22 2HG1 VAL 3 HG12 VAL 3 2.746 5.978 -3.333
23 3HG1 VAL 3 HG11 VAL 3 3.393 5.595 -1.738
24 1HG2 VAL 3 HG23 VAL 3 -0.671 5.068 -2.803
25 2HG2 VAL 3 HG22 VAL 3 0.103 6.613 -3.153
26 3HG2 VAL 3 HG21 VAL 3 0.646 5.147 -3.973
27 H VAL 4 HN VAL 4 1.019 3.325 1.148
28 HA VAL 4 HA VAL 4 3.830 3.487 1.719
29 HB VAL 4 HB VAL 4 2.348 3.656 3.541
30 1HG1 VAL 4 HG12 VAL 4 1.005 1.300 2.257
31 2HG1 VAL 4 HG11 VAL 4 0.767 1.594 3.979
32 3HG1 VAL 4 HG13 VAL 4 0.298 2.822 2.804
33 1HG2 VAL 4 HG22 VAL 4 4.286 2.223 4.079
34 2HG2 VAL 4 HG21 VAL 4 2.865 1.740 5.004
35 3HG2 VAL 4 HG23 VAL 4 3.362 0.799 3.598
36 H GLN 5 HN GLN 5 5.081 1.535 2.517
37 HA GLN 5 HA GLN 5 6.223 -0.435 1.889
38 1HB GLN 5 HB2 GLN 5 3.328 -0.977 2.155
39 2HB GLN 5 HB1 GLN 5 4.286 -2.225 1.360
40 1HG GLN 5 HG2 GLN 5 5.740 -2.451 3.239
41 2HG GLN 5 HG1 GLN 5 5.100 -0.991 3.992
42 1HE2 GLN 5 HE22 GLN 5 3.006 -3.145 5.871
43 2HE2 GLN 5 HE21 GLN 5 4.296 -2.029 5.911
44 H ASP 6 HN ASP 6 7.117 0.267 -0.059
45 HA ASP 6 HA ASP 6 5.734 0.150 -2.620
46 1HB ASP 6 HB2 ASP 6 8.452 0.684 -1.518
47 2HB ASP 6 HB1 ASP 6 8.363 0.215 -3.217
48 H TRP 7 HN TRP 7 7.288 -2.095 -0.551
49 HA TRP 7 HA TRP 7 7.495 -4.124 -2.747
50 1HB TRP 7 HB2 TRP 7 9.050 -5.166 -0.909
51 2HB TRP 7 HB1 TRP 7 9.648 -3.819 -1.870
52 HD1 TRP 7 HD1 TRP 7 10.544 -1.856 -0.574
53 HE1 TRP 7 HE1 TRP 7 10.403 -1.005 1.851
54 HE3 TRP 7 HE3 TRP 7 7.187 -5.182 1.303
55 HZ2 TRP 7 HZ2 TRP 7 9.033 -1.656 4.277
56 HZ3 TRP 7 HZ3 TRP 7 6.475 -5.055 3.677
57 HH2 TRP 7 HH2 TRP 7 7.393 -3.294 5.164
58 H GLY 8 HN GLY 8 5.906 -3.203 0.117
59 1HA GLY 8 HA2 GLY 8 4.927 -5.976 0.574
60 2HA GLY 8 HA1 GLY 8 4.911 -4.697 1.792
61 H HIS 9 HN HIS 9 3.572 -5.492 -1.407
62 HA HIS 9 HA HIS 9 1.453 -3.497 -1.214
63 1HB HIS 9 HB2 HIS 9 1.453 -5.905 -3.025
64 2HB HIS 9 HB1 HIS 9 0.891 -4.270 -3.365
65 HD1 HIS 9 HD1 HIS 9 3.011 -5.842 -5.122
66 HD2 HIS 9 HD2 HIS 9 3.920 -2.973 -2.237
67 HE1 HIS 9 HE1 HIS 9 5.302 -4.939 -5.709
68 H HIS 10 HN HIS 10 -0.585 -3.794 -0.381
69 HA HIS 10 HA HIS 10 -1.317 -6.545 0.558
70 1HB HIS 10 HB2 HIS 10 -1.869 -3.744 1.558
71 2HB HIS 10 HB1 HIS 10 -2.796 -5.131 2.133
72 HD1 HIS 10 HD1 HIS 10 -1.492 -4.286 4.455
73 HD2 HIS 10 HD2 HIS 10 0.779 -6.265 1.574
74 HE1 HIS 10 HE1 HIS 10 0.604 -5.097 5.626
75 H ARG 11 HN ARG 11 -3.838 -4.266 0.742
76 HA ARG 11 HA ARG 11 -4.846 -4.717 -1.995
77 1HB ARG 11 HB2 ARG 11 -6.938 -5.455 -0.131
78 2HB ARG 11 HB1 ARG 11 -6.300 -6.376 -1.484
79 1HG ARG 11 HG2 ARG 11 -5.940 -7.741 0.422
80 2HG ARG 11 HG1 ARG 11 -4.368 -7.034 0.083
81 1HD ARG 11 HD2 ARG 11 -5.103 -5.161 1.758
82 2HD ARG 11 HD1 ARG 11 -6.302 -6.356 2.290
83 HE ARG 11 HE ARG 11 -3.658 -7.526 2.021
84 1HH1 ARG 11 HH11 ARG 11 -6.053 -6.215 4.101
85 2HH1 ARG 11 HH12 ARG 11 -5.112 -6.429 5.544
86 1HH2 ARG 11 HH21 ARG 11 -2.304 -7.575 3.868
87 2HH2 ARG 11 HH22 ARG 11 -2.996 -7.193 5.410
88 H CYS 12 HN CYS 12 -4.592 -2.314 -1.841
89 HA CYS 12 HA CYS 12 -6.123 -0.762 0.062
90 1HB CYS 12 HB2 CYS 12 -4.741 -0.263 -2.578
91 2HB CYS 12 HB1 CYS 12 -5.635 1.025 -1.765
92 H THR 13 HN THR 13 -7.045 -2.593 -2.655
93 HA THR 13 HA THR 13 -9.712 -1.244 -2.675
94 HB THR 13 HB THR 13 -8.730 -2.214 -5.282
95 HG1 THR 13 HG1 THR 13 -7.091 -0.870 -5.481
96 1HG2 THR 13 HG23 THR 13 -10.643 -0.441 -4.282
97 2HG2 THR 13 HG22 THR 13 -9.433 0.597 -5.036
98 3HG2 THR 13 HG21 THR 13 -10.217 -0.674 -5.976
99 1HN NH2 14 HT1 NH2 14 -11.027 -2.951 -1.921
100 2HN NH2 14 HT2 NH2 14 -10.964 -4.553 -2.506
No H/Q in entry = 100
Start of MODEL 11
1 1H ILE 1 HT3 ILE 1 -4.128 6.552 -1.746
2 2H ILE 1 HT2 ILE 1 -5.539 5.608 -1.656
3 3H ILE 1 HT1 ILE 1 -5.651 7.299 -1.775
4 HA ILE 1 HA ILE 1 -4.855 7.627 0.403
5 HB ILE 1 HB ILE 1 -7.197 6.489 -0.248
6 1HG1 ILE 1 HG12 ILE 1 -6.615 8.094 1.639
7 2HG1 ILE 1 HG11 ILE 1 -7.940 6.979 1.976
8 1HG2 ILE 1 HG22 ILE 1 -6.199 4.181 0.042
9 2HG2 ILE 1 HG21 ILE 1 -6.058 4.530 1.765
10 3HG2 ILE 1 HG23 ILE 1 -7.648 4.479 1.001
11 1HD1 ILE 1 HD13 ILE 1 -6.368 5.475 3.150
12 2HD1 ILE 1 HD12 ILE 1 -5.053 6.605 2.832
13 3HD1 ILE 1 HD11 ILE 1 -6.385 7.078 3.887
14 H CYS 2 HN CYS 2 -4.291 4.365 -0.803
15 HA CYS 2 HA CYS 2 -2.400 3.911 1.483
16 1HB CYS 2 HB2 CYS 2 -2.846 1.507 1.022
17 2HB CYS 2 HB1 CYS 2 -4.316 2.391 1.441
18 H VAL 3 HN VAL 3 -0.405 4.390 0.698
19 HA VAL 3 HA VAL 3 0.461 3.064 -1.822
20 HB VAL 3 HB VAL 3 0.266 5.909 -1.105
21 1HG1 VAL 3 HG12 VAL 3 2.793 4.807 -2.360
22 2HG1 VAL 3 HG11 VAL 3 2.298 6.493 -2.515
23 3HG1 VAL 3 HG13 VAL 3 2.664 5.823 -0.924
24 1HG2 VAL 3 HG21 VAL 3 -0.639 4.377 -3.136
25 2HG2 VAL 3 HG23 VAL 3 -0.368 6.112 -3.304
26 3HG2 VAL 3 HG22 VAL 3 0.852 4.972 -3.869
27 H VAL 4 HN VAL 4 0.867 3.252 1.337
28 HA VAL 4 HA VAL 4 3.692 3.590 1.713
29 HB VAL 4 HB VAL 4 2.404 3.756 3.649
30 1HG1 VAL 4 HG13 VAL 4 0.901 1.476 2.469
31 2HG1 VAL 4 HG12 VAL 4 0.929 1.588 4.229
32 3HG1 VAL 4 HG11 VAL 4 0.294 2.926 3.271
33 1HG2 VAL 4 HG22 VAL 4 4.411 2.112 3.794
34 2HG2 VAL 4 HG21 VAL 4 3.268 2.158 5.135
35 3HG2 VAL 4 HG23 VAL 4 3.173 0.863 3.941
36 H GLN 5 HN GLN 5 5.240 1.921 2.161
37 HA GLN 5 HA GLN 5 6.425 -0.015 1.522
38 1HB GLN 5 HB2 GLN 5 3.620 -0.873 2.134
39 2HB GLN 5 HB1 GLN 5 4.797 -2.054 1.563
40 1HG GLN 5 HG2 GLN 5 6.177 -1.788 3.432
41 2HG GLN 5 HG1 GLN 5 5.521 -0.196 3.808
42 1HE2 GLN 5 HE22 GLN 5 4.033 -2.605 6.233
43 2HE2 GLN 5 HE21 GLN 5 5.608 -2.060 5.872
44 H ASP 6 HN ASP 6 6.988 0.432 -0.590
45 HA ASP 6 HA ASP 6 5.165 0.168 -2.856
46 1HB ASP 6 HB2 ASP 6 7.754 1.181 -2.235
47 2HB ASP 6 HB1 ASP 6 7.950 0.015 -3.542
48 H TRP 7 HN TRP 7 7.247 -1.917 -1.054
49 HA TRP 7 HA TRP 7 7.022 -4.070 -3.123
50 1HB TRP 7 HB2 TRP 7 8.903 -5.023 -1.565
51 2HB TRP 7 HB1 TRP 7 9.297 -3.698 -2.656
52 HD1 TRP 7 HD1 TRP 7 10.365 -1.669 -1.591
53 HE1 TRP 7 HE1 TRP 7 10.605 -0.733 0.799
54 HE3 TRP 7 HE3 TRP 7 7.472 -5.008 0.950
55 HZ2 TRP 7 HZ2 TRP 7 9.688 -1.327 3.439
56 HZ3 TRP 7 HZ3 TRP 7 7.165 -4.802 3.403
57 HH2 TRP 7 HH2 TRP 7 8.272 -2.967 4.649
58 H GLY 8 HN GLY 8 6.038 -3.047 -0.004
59 1HA GLY 8 HA2 GLY 8 5.163 -5.799 0.723
60 2HA GLY 8 HA1 GLY 8 5.359 -4.468 1.866
61 H HIS 9 HN HIS 9 3.485 -5.270 -1.068
62 HA HIS 9 HA HIS 9 1.310 -3.455 -0.207
63 1HB HIS 9 HB2 HIS 9 2.068 -5.045 -2.644
64 2HB HIS 9 HB1 HIS 9 0.421 -4.427 -2.486
65 HD1 HIS 9 HD1 HIS 9 0.189 -2.228 -3.616
66 HD2 HIS 9 HD2 HIS 9 3.974 -2.675 -1.932
67 HE1 HIS 9 HE1 HIS 9 1.444 -0.081 -4.092
68 H HIS 10 HN HIS 10 -0.810 -4.196 0.288
69 HA HIS 10 HA HIS 10 -1.018 -7.126 0.890
70 1HB HIS 10 HB2 HIS 10 -3.021 -5.447 2.161
71 2HB HIS 10 HB1 HIS 10 -1.836 -6.508 2.910
72 HD1 HIS 10 HD1 HIS 10 0.482 -5.456 3.549
73 HD2 HIS 10 HD2 HIS 10 -2.296 -2.707 2.099
74 HE1 HIS 10 HE1 HIS 10 1.404 -3.159 4.076
75 H ARG 11 HN ARG 11 -3.493 -4.601 0.572
76 HA ARG 11 HA ARG 11 -4.532 -5.427 -1.978
77 1HB ARG 11 HB2 ARG 11 -6.500 -6.705 -1.062
78 2HB ARG 11 HB1 ARG 11 -4.954 -7.517 -0.801
79 1HG ARG 11 HG2 ARG 11 -5.477 -5.699 1.377
80 2HG ARG 11 HG1 ARG 11 -6.853 -6.783 1.164
81 1HD ARG 11 HD2 ARG 11 -4.555 -8.406 0.867
82 2HD ARG 11 HD1 ARG 11 -4.255 -7.382 2.287
83 HE ARG 11 HE ARG 11 -6.628 -8.087 3.010
84 1HH1 ARG 11 HH11 ARG 11 -6.740 -9.786 0.385
85 2HH1 ARG 11 HH12 ARG 11 -6.544 -11.376 1.059
86 1HH2 ARG 11 HH21 ARG 11 -5.453 -10.223 4.143
87 2HH2 ARG 11 HH22 ARG 11 -5.809 -11.619 3.182
88 H CYS 12 HN CYS 12 -4.756 -3.070 -2.038
89 HA CYS 12 HA CYS 12 -6.387 -1.648 -0.103
90 1HB CYS 12 HB2 CYS 12 -5.239 -1.108 -2.845
91 2HB CYS 12 HB1 CYS 12 -6.256 0.086 -2.029
92 H THR 13 HN THR 13 -7.219 -1.225 -3.460
93 HA THR 13 HA THR 13 -9.897 -2.465 -2.940
94 HB THR 13 HB THR 13 -10.896 -0.549 -4.029
95 HG1 THR 13 HG1 THR 13 -8.364 0.612 -4.376
96 1HG2 THR 13 HG22 THR 13 -9.292 -0.343 -1.686
97 2HG2 THR 13 HG21 THR 13 -9.120 1.166 -2.581
98 3HG2 THR 13 HG23 THR 13 -10.722 0.599 -2.110
99 1HN NH2 14 HT1 NH2 14 -7.149 -2.198 -5.038
100 2HN NH2 14 HT2 NH2 14 -7.800 -3.048 -6.367
No H/Q in entry = 100
Start of MODEL 12
1 1H ILE 1 HT1 ILE 1 -5.503 5.141 -0.979
2 2H ILE 1 HT3 ILE 1 -6.286 5.562 0.465
3 3H ILE 1 HT2 ILE 1 -6.301 6.634 -0.852
4 HA ILE 1 HA ILE 1 -4.005 7.114 -0.633
5 HB ILE 1 HB ILE 1 -5.846 7.994 0.976
6 1HG1 ILE 1 HG12 ILE 1 -3.613 9.056 0.576
7 2HG1 ILE 1 HG11 ILE 1 -4.204 9.296 2.220
8 1HG2 ILE 1 HG22 ILE 1 -5.659 5.791 2.338
9 2HG2 ILE 1 HG21 ILE 1 -4.224 6.527 3.051
10 3HG2 ILE 1 HG23 ILE 1 -5.796 7.307 3.228
11 1HD1 ILE 1 HD12 ILE 1 -2.838 6.933 2.472
12 2HD1 ILE 1 HD11 ILE 1 -1.866 7.774 1.265
13 3HD1 ILE 1 HD13 ILE 1 -2.158 8.518 2.837
14 H CYS 2 HN CYS 2 -5.000 4.161 0.919
15 HA CYS 2 HA CYS 2 -2.493 3.635 2.303
16 1HB CYS 2 HB2 CYS 2 -3.481 1.362 2.483
17 2HB CYS 2 HB1 CYS 2 -4.618 2.621 2.962
18 H VAL 3 HN VAL 3 -0.707 3.589 0.999
19 HA VAL 3 HA VAL 3 -0.526 1.451 -1.026
20 HB VAL 3 HB VAL 3 -0.330 4.406 -1.562
21 1HG1 VAL 3 HG11 VAL 3 0.929 2.105 -2.954
22 2HG1 VAL 3 HG13 VAL 3 0.134 3.290 -3.990
23 3HG1 VAL 3 HG12 VAL 3 1.427 3.795 -2.900
24 1HG2 VAL 3 HG21 VAL 3 -2.054 2.149 -2.608
25 2HG2 VAL 3 HG23 VAL 3 -2.576 3.625 -1.793
26 3HG2 VAL 3 HG22 VAL 3 -1.939 3.702 -3.436
27 H VAL 4 HN VAL 4 0.759 2.710 1.524
28 HA VAL 4 HA VAL 4 3.429 3.473 0.963
29 HB VAL 4 HB VAL 4 2.477 3.760 3.135
30 1HG1 VAL 4 HG12 VAL 4 1.317 1.251 2.649
31 2HG1 VAL 4 HG11 VAL 4 2.365 1.012 4.046
32 3HG1 VAL 4 HG13 VAL 4 1.107 2.246 4.089
33 1HG2 VAL 4 HG22 VAL 4 4.899 3.242 3.100
34 2HG2 VAL 4 HG21 VAL 4 4.129 2.713 4.596
35 3HG2 VAL 4 HG23 VAL 4 4.517 1.538 3.341
36 H GLN 5 HN GLN 5 5.349 2.009 1.603
37 HA GLN 5 HA GLN 5 6.683 0.150 0.990
38 1HB GLN 5 HB2 GLN 5 4.065 -1.301 1.440
39 2HB GLN 5 HB1 GLN 5 5.685 -1.984 1.549
40 1HG GLN 5 HG2 GLN 5 5.938 0.060 3.303
41 2HG GLN 5 HG1 GLN 5 4.217 -0.281 3.489
42 1HE2 GLN 5 HE22 GLN 5 6.024 -2.528 5.851
43 2HE2 GLN 5 HE21 GLN 5 5.828 -0.843 5.680
44 H ASP 6 HN ASP 6 6.983 0.649 -1.196
45 HA ASP 6 HA ASP 6 5.124 0.292 -3.329
46 1HB ASP 6 HB2 ASP 6 7.866 0.985 -2.871
47 2HB ASP 6 HB1 ASP 6 7.809 -0.195 -4.178
48 H TRP 7 HN TRP 7 7.032 -1.948 -1.520
49 HA TRP 7 HA TRP 7 6.433 -4.155 -3.460
50 1HB TRP 7 HB2 TRP 7 8.308 -5.237 -1.987
51 2HB TRP 7 HB1 TRP 7 8.766 -4.015 -3.170
52 HD1 TRP 7 HD1 TRP 7 10.142 -2.089 -2.277
53 HE1 TRP 7 HE1 TRP 7 10.639 -1.079 0.041
54 HE3 TRP 7 HE3 TRP 7 7.037 -4.926 0.589
55 HZ2 TRP 7 HZ2 TRP 7 9.815 -1.428 2.757
56 HZ3 TRP 7 HZ3 TRP 7 6.902 -4.571 3.038
57 HH2 TRP 7 HH2 TRP 7 8.288 -2.827 4.126
58 H GLY 8 HN GLY 8 5.700 -2.849 -0.410
59 1HA GLY 8 HA2 GLY 8 4.738 -5.453 0.638
60 2HA GLY 8 HA1 GLY 8 5.003 -4.006 1.611
61 H HIS 9 HN HIS 9 3.008 -5.171 -1.094
62 HA HIS 9 HA HIS 9 0.962 -3.126 -0.687
63 1HB HIS 9 HB2 HIS 9 1.225 -5.661 -2.325
64 2HB HIS 9 HB1 HIS 9 -0.215 -4.639 -2.386
65 HD1 HIS 9 HD1 HIS 9 1.490 -4.918 -4.918
66 HD2 HIS 9 HD2 HIS 9 2.078 -1.911 -2.092
67 HE1 HIS 9 HE1 HIS 9 2.685 -3.034 -6.116
68 H HIS 10 HN HIS 10 -0.966 -3.356 0.450
69 HA HIS 10 HA HIS 10 -1.245 -5.780 2.157
70 1HB HIS 10 HB2 HIS 10 -1.896 -2.908 2.271
71 2HB HIS 10 HB1 HIS 10 -3.158 -3.954 2.919
72 HD1 HIS 10 HD1 HIS 10 -1.545 -6.167 4.221
73 HD2 HIS 10 HD2 HIS 10 -0.493 -2.144 4.537
74 HE1 HIS 10 HE1 HIS 10 -0.093 -5.966 6.287
75 H ARG 11 HN ARG 11 -3.803 -3.641 0.971
76 HA ARG 11 HA ARG 11 -4.915 -5.535 -0.927
77 1HB ARG 11 HB2 ARG 11 -6.870 -6.148 0.524
78 2HB ARG 11 HB1 ARG 11 -5.336 -6.764 1.140
79 1HG ARG 11 HG2 ARG 11 -5.239 -4.568 2.511
80 2HG ARG 11 HG1 ARG 11 -6.959 -4.430 2.144
81 1HD ARG 11 HD2 ARG 11 -6.926 -5.611 4.203
82 2HD ARG 11 HD1 ARG 11 -7.086 -6.907 2.999
83 HE ARG 11 HE ARG 11 -4.408 -6.745 3.121
84 1HH1 ARG 11 HH11 ARG 11 -4.903 -5.180 5.741
85 2HH1 ARG 11 HH12 ARG 11 -4.681 -6.449 6.908
86 1HH2 ARG 11 HH21 ARG 11 -4.912 -9.000 4.569
87 2HH2 ARG 11 HH22 ARG 11 -4.691 -8.608 6.241
88 H CYS 12 HN CYS 12 -4.447 -2.820 -1.201
89 HA CYS 12 HA CYS 12 -6.933 -1.338 -0.639
90 1HB CYS 12 HB2 CYS 12 -4.317 -0.673 -2.024
91 2HB CYS 12 HB1 CYS 12 -5.599 0.498 -1.707
92 H THR 13 HN THR 13 -4.997 -1.809 -3.605
93 HA THR 13 HA THR 13 -7.414 -1.443 -5.263
94 HB THR 13 HB THR 13 -5.025 -2.194 -6.700
95 HG1 THR 13 HG1 THR 13 -3.547 -1.290 -5.544
96 1HG2 THR 13 HG23 THR 13 -6.882 0.112 -6.435
97 2HG2 THR 13 HG22 THR 13 -5.295 0.448 -7.127
98 3HG2 THR 13 HG21 THR 13 -6.350 -0.748 -7.880
99 1HN NH2 14 HT1 NH2 14 -6.478 -4.047 -3.566
100 2HN NH2 14 HT2 NH2 14 -6.805 -5.303 -4.675
No H/Q in entry = 100
Start of MODEL 13
1 1H ILE 1 HT1 ILE 1 -5.721 3.784 -2.124
2 2H ILE 1 HT3 ILE 1 -6.714 3.931 -0.757
3 3H ILE 1 HT2 ILE 1 -7.155 4.693 -2.210
4 HA ILE 1 HA ILE 1 -5.299 6.201 -2.057
5 HB ILE 1 HB ILE 1 -7.478 6.660 -0.994
6 1HG1 ILE 1 HG12 ILE 1 -5.159 8.023 -0.616
7 2HG1 ILE 1 HG11 ILE 1 -6.711 8.571 0.006
8 1HG2 ILE 1 HG21 ILE 1 -6.207 5.150 1.283
9 2HG2 ILE 1 HG23 ILE 1 -7.514 6.298 1.571
10 3HG2 ILE 1 HG22 ILE 1 -7.783 4.896 0.534
11 1HD1 ILE 1 HD11 ILE 1 -4.881 6.777 1.613
12 2HD1 ILE 1 HD13 ILE 1 -4.772 8.536 1.678
13 3HD1 ILE 1 HD12 ILE 1 -6.250 7.723 2.186
14 H CYS 2 HN CYS 2 -4.797 3.323 -0.493
15 HA CYS 2 HA CYS 2 -2.480 4.426 1.060
16 1HB CYS 2 HB2 CYS 2 -2.868 1.924 2.098
17 2HB CYS 2 HB1 CYS 2 -3.578 3.383 2.772
18 H VAL 3 HN VAL 3 -0.610 4.039 0.002
19 HA VAL 3 HA VAL 3 -0.323 1.476 -1.522
20 HB VAL 3 HB VAL 3 0.375 4.335 -2.072
21 1HG1 VAL 3 HG11 VAL 3 1.771 1.913 -3.235
22 2HG1 VAL 3 HG13 VAL 3 1.788 3.497 -4.010
23 3HG1 VAL 3 HG12 VAL 3 2.511 3.288 -2.416
24 1HG2 VAL 3 HG22 VAL 3 -1.637 2.752 -2.952
25 2HG2 VAL 3 HG21 VAL 3 -0.974 4.074 -3.911
26 3HG2 VAL 3 HG23 VAL 3 -0.432 2.419 -4.196
27 H VAL 4 HN VAL 4 0.466 2.674 1.241
28 HA VAL 4 HA VAL 4 3.147 3.037 1.696
29 HB VAL 4 HB VAL 4 1.773 2.960 3.579
30 1HG1 VAL 4 HG12 VAL 4 0.671 0.511 2.274
31 2HG1 VAL 4 HG11 VAL 4 0.563 0.610 4.031
32 3HG1 VAL 4 HG13 VAL 4 -0.181 1.856 3.029
33 1HG2 VAL 4 HG23 VAL 4 3.914 1.810 4.036
34 2HG2 VAL 4 HG22 VAL 4 2.610 1.158 5.029
35 3HG2 VAL 4 HG21 VAL 4 3.169 0.269 3.611
36 H GLN 5 HN GLN 5 4.876 1.524 2.295
37 HA GLN 5 HA GLN 5 6.323 -0.262 1.774
38 1HB GLN 5 HB2 GLN 5 3.567 -1.468 1.706
39 2HB GLN 5 HB1 GLN 5 4.979 -2.440 1.299
40 1HG GLN 5 HG2 GLN 5 5.983 -2.016 3.456
41 2HG GLN 5 HG1 GLN 5 4.726 -0.847 3.861
42 1HE2 GLN 5 HE22 GLN 5 4.051 -4.480 5.087
43 2HE2 GLN 5 HE21 GLN 5 5.552 -3.681 4.962
44 H ASP 6 HN ASP 6 7.291 0.327 -0.098
45 HA ASP 6 HA ASP 6 5.983 0.494 -2.685
46 1HB ASP 6 HB2 ASP 6 8.672 0.784 -1.464
47 2HB ASP 6 HB1 ASP 6 8.653 0.402 -3.185
48 H TRP 7 HN TRP 7 7.574 -2.044 -0.908
49 HA TRP 7 HA TRP 7 7.592 -3.769 -3.358
50 1HB TRP 7 HB2 TRP 7 9.258 -5.063 -1.847
51 2HB TRP 7 HB1 TRP 7 9.792 -3.532 -2.533
52 HD1 TRP 7 HD1 TRP 7 10.717 -1.844 -0.879
53 HE1 TRP 7 HE1 TRP 7 10.627 -1.515 1.676
54 HE3 TRP 7 HE3 TRP 7 7.501 -5.587 0.366
55 HZ2 TRP 7 HZ2 TRP 7 9.347 -2.694 3.953
56 HZ3 TRP 7 HZ3 TRP 7 6.855 -5.972 2.728
57 HH2 TRP 7 HH2 TRP 7 7.773 -4.528 4.524
58 H GLY 8 HN GLY 8 6.206 -3.312 -0.245
59 1HA GLY 8 HA2 GLY 8 4.979 -6.029 -0.426
60 2HA GLY 8 HA1 GLY 8 5.528 -5.374 1.115
61 H HIS 9 HN HIS 9 3.256 -4.710 -1.559
62 HA HIS 9 HA HIS 9 1.721 -2.804 0.046
63 1HB HIS 9 HB2 HIS 9 0.849 -4.228 -2.478
64 2HB HIS 9 HB1 HIS 9 0.424 -2.605 -1.937
65 HD1 HIS 9 HD1 HIS 9 3.030 -4.515 -3.773
66 HD2 HIS 9 HD2 HIS 9 2.543 -0.655 -2.276
67 HE1 HIS 9 HE1 HIS 9 4.850 -3.102 -4.828
68 H HIS 10 HN HIS 10 -0.699 -3.277 0.391
69 HA HIS 10 HA HIS 10 -0.998 -6.085 1.378
70 1HB HIS 10 HB2 HIS 10 -1.904 -3.368 2.212
71 2HB HIS 10 HB1 HIS 10 -2.987 -4.714 2.560
72 HD1 HIS 10 HD1 HIS 10 -1.839 -3.488 5.002
73 HD2 HIS 10 HD2 HIS 10 0.229 -6.424 2.890
74 HE1 HIS 10 HE1 HIS 10 -0.170 -4.495 6.622
75 H ARG 11 HN ARG 11 -3.684 -3.896 0.883
76 HA ARG 11 HA ARG 11 -4.534 -4.809 -1.710
77 1HB ARG 11 HB2 ARG 11 -6.186 -6.466 -0.999
78 2HB ARG 11 HB1 ARG 11 -4.601 -6.935 -0.379
79 1HG ARG 11 HG2 ARG 11 -5.972 -5.148 1.462
80 2HG ARG 11 HG1 ARG 11 -6.931 -6.591 1.133
81 1HD ARG 11 HD2 ARG 11 -4.087 -7.199 1.532
82 2HD ARG 11 HD1 ARG 11 -4.850 -6.466 2.957
83 HE ARG 11 HE ARG 11 -6.371 -8.615 1.604
84 1HH1 ARG 11 HH21 ARG 11 -3.767 -8.208 3.738
85 2HH1 ARG 11 HH22 ARG 11 -4.406 -9.245 4.970
86 1HH2 ARG 11 HH11 ARG 11 -7.463 -9.683 3.385
87 2HH2 ARG 11 HH12 ARG 11 -6.499 -10.076 4.778
88 H CYS 12 HN CYS 12 -4.648 -2.289 -0.909
89 HA CYS 12 HA CYS 12 -6.994 -1.520 0.609
90 1HB CYS 12 HB2 CYS 12 -4.975 -0.195 -1.194
91 2HB CYS 12 HB1 CYS 12 -6.369 0.716 -0.602
92 H THR 13 HN THR 13 -6.531 -0.166 -2.590
93 HA THR 13 HA THR 13 -9.370 -0.656 -3.228
94 HB THR 13 HB THR 13 -7.610 0.623 -5.216
95 HG1 THR 13 HG1 THR 13 -6.723 2.056 -3.954
96 1HG2 THR 13 HG21 THR 13 -10.183 0.698 -4.934
97 2HG2 THR 13 HG23 THR 13 -9.865 1.863 -3.647
98 3HG2 THR 13 HG22 THR 13 -9.352 2.211 -5.297
99 1HN NH2 14 HT1 NH2 14 -9.910 -1.530 -5.484
100 2HN NH2 14 HT2 NH2 14 -8.917 -2.753 -6.139
No H/Q in entry = 100
Start of MODEL 14
1 1H ILE 1 HT2 ILE 1 -5.054 3.967 -2.334
2 2H ILE 1 HT1 ILE 1 -6.217 4.079 -1.100
3 3H ILE 1 HT3 ILE 1 -6.472 4.870 -2.578
4 HA ILE 1 HA ILE 1 -4.760 6.436 -2.163
5 HB ILE 1 HB ILE 1 -7.113 6.087 -0.730
6 1HG1 ILE 1 HG12 ILE 1 -6.191 8.102 -1.971
7 2HG1 ILE 1 HG11 ILE 1 -7.061 8.470 -0.484
8 1HG2 ILE 1 HG22 ILE 1 -5.792 5.348 1.253
9 2HG2 ILE 1 HG21 ILE 1 -4.950 6.897 1.236
10 3HG2 ILE 1 HG23 ILE 1 -6.685 6.839 1.548
11 1HD1 ILE 1 HD12 ILE 1 -4.195 7.975 -0.074
12 2HD1 ILE 1 HD11 ILE 1 -4.531 9.374 -1.089
13 3HD1 ILE 1 HD13 ILE 1 -5.207 9.281 0.538
14 H CYS 2 HN CYS 2 -4.268 3.455 -0.690
15 HA CYS 2 HA CYS 2 -2.248 4.423 1.242
16 1HB CYS 2 HB2 CYS 2 -2.350 2.242 2.097
17 2HB CYS 2 HB1 CYS 2 -3.974 2.454 1.454
18 H VAL 3 HN VAL 3 -0.088 4.485 0.794
19 HA VAL 3 HA VAL 3 0.888 3.114 -1.682
20 HB VAL 3 HB VAL 3 1.413 5.860 -0.547
21 1HG1 VAL 3 HG12 VAL 3 2.949 4.226 -2.533
22 2HG1 VAL 3 HG11 VAL 3 2.822 5.966 -2.788
23 3HG1 VAL 3 HG13 VAL 3 3.545 5.342 -1.304
24 1HG2 VAL 3 HG21 VAL 3 -0.385 4.823 -2.506
25 2HG2 VAL 3 HG23 VAL 3 -0.145 6.504 -2.038
26 3HG2 VAL 3 HG22 VAL 3 0.812 5.808 -3.345
27 H VAL 4 HN VAL 4 0.965 2.845 1.432
28 HA VAL 4 HA VAL 4 3.644 3.067 2.345
29 HB VAL 4 HB VAL 4 1.961 2.724 3.955
30 1HG1 VAL 4 HG12 VAL 4 1.025 0.622 2.042
31 2HG1 VAL 4 HG11 VAL 4 0.610 0.446 3.748
32 3HG1 VAL 4 HG13 VAL 4 0.101 1.882 2.859
33 1HG2 VAL 4 HG23 VAL 4 3.284 0.018 3.592
34 2HG2 VAL 4 HG22 VAL 4 3.965 1.382 4.479
35 3HG2 VAL 4 HG21 VAL 4 2.508 0.585 5.068
36 H GLN 5 HN GLN 5 5.020 1.151 2.933
37 HA GLN 5 HA GLN 5 6.530 -0.440 2.036
38 1HB GLN 5 HB2 GLN 5 3.748 -1.543 2.062
39 2HB GLN 5 HB1 GLN 5 5.071 -2.524 1.439
40 1HG GLN 5 HG2 GLN 5 5.934 -2.885 3.500
41 2HG GLN 5 HG1 GLN 5 5.740 -1.193 3.960
42 1HE2 GLN 5 HE22 GLN 5 3.090 -2.104 6.093
43 2HE2 GLN 5 HE21 GLN 5 4.542 -1.235 5.877
44 H ASP 6 HN ASP 6 7.235 0.616 0.178
45 HA ASP 6 HA ASP 6 6.091 0.949 -2.339
46 1HB ASP 6 HB2 ASP 6 8.664 0.047 -2.938
47 2HB ASP 6 HB1 ASP 6 8.221 1.712 -2.573
48 H TRP 7 HN TRP 7 7.529 -2.000 -1.028
49 HA TRP 7 HA TRP 7 6.544 -3.517 -3.417
50 1HB TRP 7 HB2 TRP 7 8.297 -5.183 -2.429
51 2HB TRP 7 HB1 TRP 7 8.879 -3.745 -3.263
52 HD1 TRP 7 HD1 TRP 7 10.557 -2.356 -1.984
53 HE1 TRP 7 HE1 TRP 7 11.272 -2.097 0.477
54 HE3 TRP 7 HE3 TRP 7 7.155 -5.408 0.226
55 HZ2 TRP 7 HZ2 TRP 7 10.491 -3.066 3.056
56 HZ3 TRP 7 HZ3 TRP 7 7.146 -5.732 2.683
57 HH2 TRP 7 HH2 TRP 7 8.810 -4.562 4.101
58 H GLY 8 HN GLY 8 6.079 -3.015 -0.084
59 1HA GLY 8 HA2 GLY 8 4.954 -5.708 0.365
60 2HA GLY 8 HA1 GLY 8 5.171 -4.465 1.597
61 H HIS 9 HN HIS 9 3.366 -4.890 -1.460
62 HA HIS 9 HA HIS 9 1.249 -3.065 -0.600
63 1HB HIS 9 HB2 HIS 9 1.917 -4.814 -2.938
64 2HB HIS 9 HB1 HIS 9 0.245 -4.272 -2.762
65 HD1 HIS 9 HD1 HIS 9 1.056 -2.925 -5.073
66 HD2 HIS 9 HD2 HIS 9 2.516 -1.543 -1.421
67 HE1 HIS 9 HE1 HIS 9 1.864 -0.557 -5.473
68 H HIS 10 HN HIS 10 -1.067 -3.844 -0.462
69 HA HIS 10 HA HIS 10 -1.235 -6.638 0.610
70 1HB HIS 10 HB2 HIS 10 -1.647 -4.043 1.856
71 2HB HIS 10 HB1 HIS 10 -3.082 -5.056 1.989
72 HD1 HIS 10 HD1 HIS 10 0.472 -6.374 1.966
73 HD2 HIS 10 HD2 HIS 10 -2.701 -5.914 4.631
74 HE1 HIS 10 HE1 HIS 10 1.127 -7.603 4.084
75 H ARG 11 HN ARG 11 -3.791 -4.189 0.423
76 HA ARG 11 HA ARG 11 -4.985 -5.213 -2.007
77 1HB ARG 11 HB2 ARG 11 -6.568 -6.704 -1.128
78 2HB ARG 11 HB1 ARG 11 -5.122 -7.057 -0.191
79 1HG ARG 11 HG2 ARG 11 -7.326 -5.199 0.742
80 2HG ARG 11 HG1 ARG 11 -7.211 -6.888 1.184
81 1HD ARG 11 HD2 ARG 11 -5.283 -6.550 2.488
82 2HD ARG 11 HD1 ARG 11 -4.892 -5.025 1.676
83 HE ARG 11 HE ARG 11 -6.653 -3.938 2.903
84 1HH1 ARG 11 HH11 ARG 11 -8.939 -5.297 3.309
85 2HH1 ARG 11 HH12 ARG 11 -8.805 -6.141 4.823
86 1HH2 ARG 11 HH21 ARG 11 -5.349 -5.894 4.952
87 2HH2 ARG 11 HH22 ARG 11 -6.771 -6.483 5.744
88 H CYS 12 HN CYS 12 -4.527 -2.574 -1.104
89 HA CYS 12 HA CYS 12 -6.831 -1.366 0.143
90 1HB CYS 12 HB2 CYS 12 -4.705 -0.307 -1.747
91 2HB CYS 12 HB1 CYS 12 -5.812 0.706 -0.821
92 H THR 13 HN THR 13 -8.099 -3.010 -1.625
93 HA THR 13 HA THR 13 -9.542 -1.152 -3.345
94 HB THR 13 HB THR 13 -7.647 -3.216 -4.505
95 HG1 THR 13 HG1 THR 13 -7.893 -0.482 -5.145
96 1HG2 THR 13 HG22 THR 13 -10.184 -2.278 -5.499
97 2HG2 THR 13 HG21 THR 13 -8.888 -1.704 -6.550
98 3HG2 THR 13 HG23 THR 13 -9.068 -3.431 -6.233
99 1HN NH2 14 HT1 NH2 14 -9.072 -4.530 -4.271
100 2HN NH2 14 HT2 NH2 14 -10.582 -5.094 -3.712
No H/Q in entry = 100
Start of MODEL 15
1 1H ILE 1 HT1 ILE 1 -3.978 6.109 -2.118
2 2H ILE 1 HT3 ILE 1 -5.604 5.659 -2.290
3 3H ILE 1 HT2 ILE 1 -5.167 7.300 -2.349
4 HA ILE 1 HA ILE 1 -4.995 7.503 -0.113
5 HB ILE 1 HB ILE 1 -7.193 6.336 -1.049
6 1HG1 ILE 1 HG12 ILE 1 -6.941 7.858 0.947
7 2HG1 ILE 1 HG11 ILE 1 -8.202 6.639 1.125
8 1HG2 ILE 1 HG23 ILE 1 -6.011 4.046 -0.633
9 2HG2 ILE 1 HG22 ILE 1 -6.444 4.312 1.055
10 3HG2 ILE 1 HG21 ILE 1 -7.704 4.219 -0.175
11 1HD1 ILE 1 HD12 ILE 1 -5.725 5.520 2.033
12 2HD1 ILE 1 HD11 ILE 1 -5.955 7.085 2.814
13 3HD1 ILE 1 HD13 ILE 1 -7.191 5.836 2.962
14 H CYS 2 HN CYS 2 -4.132 4.282 -1.237
15 HA CYS 2 HA CYS 2 -2.536 3.902 1.276
16 1HB CYS 2 HB2 CYS 2 -2.898 1.443 0.778
17 2HB CYS 2 HB1 CYS 2 -4.369 2.330 1.173
18 H VAL 3 HN VAL 3 -0.396 4.109 0.826
19 HA VAL 3 HA VAL 3 0.666 2.945 -1.704
20 HB VAL 3 HB VAL 3 1.002 5.712 -0.561
21 1HG1 VAL 3 HG13 VAL 3 2.717 4.208 -2.533
22 2HG1 VAL 3 HG12 VAL 3 2.601 5.967 -2.594
23 3HG1 VAL 3 HG11 VAL 3 3.223 5.174 -1.146
24 1HG2 VAL 3 HG21 VAL 3 -0.712 4.660 -2.490
25 2HG2 VAL 3 HG23 VAL 3 -0.326 6.368 -2.274
26 3HG2 VAL 3 HG22 VAL 3 0.579 5.400 -3.437
27 H VAL 4 HN VAL 4 0.721 2.719 1.439
28 HA VAL 4 HA VAL 4 3.433 2.989 2.300
29 HB VAL 4 HB VAL 4 1.758 2.735 3.946
30 1HG1 VAL 4 HG12 VAL 4 0.817 0.538 2.150
31 2HG1 VAL 4 HG11 VAL 4 0.439 0.423 3.868
32 3HG1 VAL 4 HG13 VAL 4 -0.112 1.815 2.934
33 1HG2 VAL 4 HG23 VAL 4 3.098 0.027 3.703
34 2HG2 VAL 4 HG22 VAL 4 3.782 1.443 4.504
35 3HG2 VAL 4 HG21 VAL 4 2.342 0.664 5.162
36 H GLN 5 HN GLN 5 4.804 1.047 2.919
37 HA GLN 5 HA GLN 5 6.200 -0.665 2.066
38 1HB GLN 5 HB2 GLN 5 3.381 -1.693 1.672
39 2HB GLN 5 HB1 GLN 5 4.826 -2.700 1.586
40 1HG GLN 5 HG2 GLN 5 5.152 -2.665 3.845
41 2HG GLN 5 HG1 GLN 5 4.636 -0.985 3.989
42 1HE2 GLN 5 HE22 GLN 5 1.663 -2.204 5.474
43 2HE2 GLN 5 HE21 GLN 5 3.065 -1.250 5.660
44 H ASP 6 HN ASP 6 7.096 0.313 0.283
45 HA ASP 6 HA ASP 6 5.798 0.588 -2.300
46 1HB ASP 6 HB2 ASP 6 7.614 2.010 -1.391
47 2HB ASP 6 HB1 ASP 6 8.701 0.619 -1.434
48 H TRP 7 HN TRP 7 7.627 -1.919 -0.714
49 HA TRP 7 HA TRP 7 7.964 -3.392 -3.296
50 1HB TRP 7 HB2 TRP 7 9.422 -4.825 -1.703
51 2HB TRP 7 HB1 TRP 7 10.011 -3.226 -2.143
52 HD1 TRP 7 HD1 TRP 7 10.728 -1.791 -0.198
53 HE1 TRP 7 HE1 TRP 7 10.279 -1.724 2.338
54 HE3 TRP 7 HE3 TRP 7 7.285 -5.513 0.170
55 HZ2 TRP 7 HZ2 TRP 7 8.659 -3.080 4.270
56 HZ3 TRP 7 HZ3 TRP 7 6.296 -6.113 2.358
57 HH2 TRP 7 HH2 TRP 7 6.979 -4.901 4.411
58 H GLY 8 HN GLY 8 5.933 -3.259 -0.609
59 1HA GLY 8 HA2 GLY 8 4.848 -5.917 -1.277
60 2HA GLY 8 HA1 GLY 8 5.347 -5.648 0.390
61 H HIS 9 HN HIS 9 2.975 -4.873 -2.036
62 HA HIS 9 HA HIS 9 1.494 -2.941 -0.419
63 1HB HIS 9 HB2 HIS 9 0.674 -4.593 -2.835
64 2HB HIS 9 HB1 HIS 9 -0.092 -3.106 -2.273
65 HD1 HIS 9 HD1 HIS 9 0.806 -2.806 -5.030
66 HD2 HIS 9 HD2 HIS 9 3.491 -2.295 -1.885
67 HE1 HIS 9 HE1 HIS 9 2.721 -1.424 -5.943
68 H HIS 10 HN HIS 10 -0.845 -3.457 0.206
69 HA HIS 10 HA HIS 10 -0.992 -6.237 1.313
70 1HB HIS 10 HB2 HIS 10 -1.675 -3.501 2.237
71 2HB HIS 10 HB1 HIS 10 -2.809 -4.766 2.708
72 HD1 HIS 10 HD1 HIS 10 -1.404 -3.737 5.053
73 HD2 HIS 10 HD2 HIS 10 0.379 -6.618 2.626
74 HE1 HIS 10 HE1 HIS 10 0.380 -4.850 6.462
75 H ARG 11 HN ARG 11 -3.787 -4.147 1.252
76 HA ARG 11 HA ARG 11 -4.890 -5.294 -1.201
77 1HB ARG 11 HB2 ARG 11 -6.532 -6.680 -0.186
78 2HB ARG 11 HB1 ARG 11 -5.022 -7.061 0.631
79 1HG ARG 11 HG2 ARG 11 -7.258 -5.305 1.651
80 2HG ARG 11 HG1 ARG 11 -6.734 -6.847 2.303
81 1HD ARG 11 HD2 ARG 11 -4.410 -5.657 2.565
82 2HD ARG 11 HD1 ARG 11 -5.381 -4.172 2.503
83 HE ARG 11 HE ARG 11 -6.213 -6.362 4.349
84 1HH1 ARG 11 HH11 ARG 11 -7.350 -3.504 4.161
85 2HH1 ARG 11 HH12 ARG 11 -6.650 -2.794 5.585
86 1HH2 ARG 11 HH21 ARG 11 -4.310 -5.319 6.007
87 2HH2 ARG 11 HH22 ARG 11 -4.920 -3.819 6.622
88 H CYS 12 HN CYS 12 -5.254 -3.143 -1.818
89 HA CYS 12 HA CYS 12 -6.789 -1.323 -0.089
90 1HB CYS 12 HB2 CYS 12 -5.631 -1.188 -2.886
91 2HB CYS 12 HB1 CYS 12 -6.464 0.163 -2.116
92 H THR 13 HN THR 13 -7.259 -2.140 -3.523
93 HA THR 13 HA THR 13 -10.062 -2.942 -3.040
94 HB THR 13 HB THR 13 -10.080 -0.896 -5.052
95 HG1 THR 13 HG1 THR 13 -9.382 0.268 -2.640
96 1HG2 THR 13 HG21 THR 13 -11.293 -1.333 -2.336
97 2HG2 THR 13 HG23 THR 13 -11.549 0.188 -3.194
98 3HG2 THR 13 HG22 THR 13 -12.079 -1.331 -3.915
99 1HN NH2 14 HT1 NH2 14 -9.260 -4.953 -4.105
100 2HN NH2 14 HT2 NH2 14 -9.001 -4.989 -5.790
No H/Q in entry = 100
Start of MODEL 16
1 1H ILE 1 HT1 ILE 1 -6.803 5.233 0.386
2 2H ILE 1 HT3 ILE 1 -6.609 6.529 1.463
3 3H ILE 1 HT2 ILE 1 -7.245 6.804 -0.087
4 HA ILE 1 HA ILE 1 -5.183 6.382 -1.135
5 HB ILE 1 HB ILE 1 -5.683 8.561 0.065
6 1HG1 ILE 1 HG12 ILE 1 -3.721 8.212 -1.459
7 2HG1 ILE 1 HG11 ILE 1 -3.442 9.434 -0.219
8 1HG2 ILE 1 HG23 ILE 1 -5.060 7.160 2.336
9 2HG2 ILE 1 HG22 ILE 1 -3.566 8.052 2.050
10 3HG2 ILE 1 HG21 ILE 1 -5.091 8.920 2.223
11 1HD1 ILE 1 HD12 ILE 1 -2.441 7.499 1.181
12 2HD1 ILE 1 HD11 ILE 1 -2.376 6.617 -0.345
13 3HD1 ILE 1 HD13 ILE 1 -1.480 8.124 -0.158
14 H CYS 2 HN CYS 2 -4.641 4.076 -0.779
15 HA CYS 2 HA CYS 2 -2.720 3.670 1.487
16 1HB CYS 2 HB2 CYS 2 -3.419 1.343 1.432
17 2HB CYS 2 HB1 CYS 2 -4.862 2.353 1.478
18 H VAL 3 HN VAL 3 -0.637 3.651 0.777
19 HA VAL 3 HA VAL 3 0.029 2.144 -1.690
20 HB VAL 3 HB VAL 3 0.929 4.977 -1.173
21 1HG1 VAL 3 HG12 VAL 3 1.874 2.963 -2.901
22 2HG1 VAL 3 HG11 VAL 3 0.948 4.060 -3.925
23 3HG1 VAL 3 HG13 VAL 3 2.284 4.678 -2.954
24 1HG2 VAL 3 HG23 VAL 3 -1.303 3.931 -2.938
25 2HG2 VAL 3 HG22 VAL 3 -1.465 5.033 -1.572
26 3HG2 VAL 3 HG21 VAL 3 -0.652 5.565 -3.042
27 H VAL 4 HN VAL 4 0.553 2.399 1.387
28 HA VAL 4 HA VAL 4 3.272 2.888 1.902
29 HB VAL 4 HB VAL 4 1.902 2.491 3.755
30 1HG1 VAL 4 HG13 VAL 4 0.825 0.289 2.071
31 2HG1 VAL 4 HG12 VAL 4 0.802 0.026 3.816
32 3HG1 VAL 4 HG11 VAL 4 -0.030 1.419 3.123
33 1HG2 VAL 4 HG23 VAL 4 4.067 1.355 4.029
34 2HG2 VAL 4 HG22 VAL 4 2.793 0.484 4.881
35 3HG2 VAL 4 HG21 VAL 4 3.386 -0.114 3.332
36 H GLN 5 HN GLN 5 5.022 1.324 2.210
37 HA GLN 5 HA GLN 5 6.529 -0.183 1.170
38 1HB GLN 5 HB2 GLN 5 4.088 -1.488 2.128
39 2HB GLN 5 HB1 GLN 5 4.970 -2.424 0.925
40 1HG GLN 5 HG2 GLN 5 6.124 -3.113 2.791
41 2HG GLN 5 HG1 GLN 5 7.050 -1.659 2.420
42 1HE2 GLN 5 HE22 GLN 5 5.289 -1.861 5.964
43 2HE2 GLN 5 HE21 GLN 5 5.672 -3.203 4.983
44 H ASP 6 HN ASP 6 6.836 0.608 -0.871
45 HA ASP 6 HA ASP 6 5.076 0.577 -3.089
46 1HB ASP 6 HB2 ASP 6 8.080 0.169 -3.133
47 2HB ASP 6 HB1 ASP 6 7.094 0.945 -4.371
48 H TRP 7 HN TRP 7 7.043 -1.981 -1.694
49 HA TRP 7 HA TRP 7 6.145 -3.824 -3.880
50 1HB TRP 7 HB2 TRP 7 8.164 -5.154 -2.939
51 2HB TRP 7 HB1 TRP 7 8.499 -3.711 -3.890
52 HD1 TRP 7 HD1 TRP 7 10.072 -2.054 -2.819
53 HE1 TRP 7 HE1 TRP 7 10.917 -1.557 -0.436
54 HE3 TRP 7 HE3 TRP 7 7.242 -5.373 -0.178
55 HZ2 TRP 7 HZ2 TRP 7 10.450 -2.452 2.240
56 HZ3 TRP 7 HZ3 TRP 7 7.461 -5.536 2.283
57 HH2 TRP 7 HH2 TRP 7 9.061 -4.081 3.496
58 H GLY 8 HN GLY 8 5.871 -3.086 -0.558
59 1HA GLY 8 HA2 GLY 8 4.841 -5.830 0.011
60 2HA GLY 8 HA1 GLY 8 5.534 -4.771 1.238
61 H HIS 9 HN HIS 9 2.831 -4.835 -1.116
62 HA HIS 9 HA HIS 9 1.300 -2.867 0.419
63 1HB HIS 9 HB2 HIS 9 0.410 -4.743 -1.792
64 2HB HIS 9 HB1 HIS 9 -0.313 -3.196 -1.347
65 HD1 HIS 9 HD1 HIS 9 1.524 -4.383 -4.002
66 HD2 HIS 9 HD2 HIS 9 2.219 -1.204 -1.392
67 HE1 HIS 9 HE1 HIS 9 3.126 -2.818 -5.187
68 H HIS 10 HN HIS 10 -0.973 -3.498 1.187
69 HA HIS 10 HA HIS 10 -0.884 -6.216 2.453
70 1HB HIS 10 HB2 HIS 10 -0.751 -4.028 3.821
71 2HB HIS 10 HB1 HIS 10 -2.450 -3.814 3.399
72 HD1 HIS 10 HD1 HIS 10 -2.846 -7.082 3.486
73 HD2 HIS 10 HD2 HIS 10 -1.550 -4.571 6.550
74 HE1 HIS 10 HE1 HIS 10 -3.318 -8.300 5.657
75 H ARG 11 HN ARG 11 -3.066 -3.779 1.049
76 HA ARG 11 HA ARG 11 -4.642 -5.709 -0.371
77 1HB ARG 11 HB2 ARG 11 -6.663 -5.542 1.157
78 2HB ARG 11 HB1 ARG 11 -5.304 -6.441 1.833
79 1HG ARG 11 HG2 ARG 11 -4.726 -3.863 2.608
80 2HG ARG 11 HG1 ARG 11 -6.486 -3.896 2.714
81 1HD ARG 11 HD2 ARG 11 -5.416 -6.359 3.783
82 2HD ARG 11 HD1 ARG 11 -4.667 -4.969 4.593
83 HE ARG 11 HE ARG 11 -6.981 -4.115 5.020
84 1HH1 ARG 11 HH11 ARG 11 -7.281 -6.893 3.178
85 2HH1 ARG 11 HH12 ARG 11 -8.454 -7.663 4.204
86 1HH2 ARG 11 HH21 ARG 11 -8.177 -5.310 6.732
87 2HH2 ARG 11 HH22 ARG 11 -8.958 -6.765 6.211
88 H CYS 12 HN CYS 12 -4.128 -3.775 -1.792
89 HA CYS 12 HA CYS 12 -5.991 -1.482 -1.299
90 1HB CYS 12 HB2 CYS 12 -3.347 -1.843 -2.711
91 2HB CYS 12 HB1 CYS 12 -4.367 -0.440 -3.036
92 H THR 13 HN THR 13 -7.316 -0.798 -3.074
93 HA THR 13 HA THR 13 -7.846 -2.917 -5.092
94 HB THR 13 HB THR 13 -9.581 -0.622 -5.226
95 HG1 THR 13 HG1 THR 13 -10.267 -1.184 -2.892
96 1HG2 THR 13 HG23 THR 13 -9.674 -3.515 -4.866
97 2HG2 THR 13 HG22 THR 13 -10.913 -2.688 -3.921
98 3HG2 THR 13 HG21 THR 13 -10.829 -2.448 -5.667
99 1HN NH2 14 HT1 NH2 14 -7.620 -2.497 -7.365
100 2HN NH2 14 HT2 NH2 14 -6.927 -1.068 -7.988
No H/Q in entry = 100
Start of MODEL 17
1 1H ILE 1 HT3 ILE 1 -5.661 5.200 -1.557
2 2H ILE 1 HT2 ILE 1 -6.594 5.424 -0.155
3 3H ILE 1 HT1 ILE 1 -6.696 6.537 -1.435
4 HA ILE 1 HA ILE 1 -4.533 7.378 -1.030
5 HB ILE 1 HB ILE 1 -6.424 8.095 0.412
6 1HG1 ILE 1 HG12 ILE 1 -3.850 8.724 0.724
7 2HG1 ILE 1 HG11 ILE 1 -5.074 9.321 1.841
8 1HG2 ILE 1 HG21 ILE 1 -5.496 5.731 2.039
9 2HG2 ILE 1 HG23 ILE 1 -6.358 7.068 2.798
10 3HG2 ILE 1 HG22 ILE 1 -7.130 6.138 1.516
11 1HD1 ILE 1 HD12 ILE 1 -3.799 6.676 2.429
12 2HD1 ILE 1 HD11 ILE 1 -2.867 8.140 2.742
13 3HD1 ILE 1 HD13 ILE 1 -4.417 7.892 3.545
14 H CYS 2 HN CYS 2 -5.013 4.171 -0.047
15 HA CYS 2 HA CYS 2 -2.645 3.945 1.681
16 1HB CYS 2 HB2 CYS 2 -3.296 1.535 1.609
17 2HB CYS 2 HB1 CYS 2 -4.645 2.585 2.040
18 H VAL 3 HN VAL 3 -0.640 3.958 0.757
19 HA VAL 3 HA VAL 3 -0.142 2.193 -1.565
20 HB VAL 3 HB VAL 3 0.252 5.171 -1.435
21 1HG1 VAL 3 HG11 VAL 3 1.586 3.133 -3.226
22 2HG1 VAL 3 HG13 VAL 3 1.410 4.822 -3.703
23 3HG1 VAL 3 HG12 VAL 3 2.348 4.403 -2.268
24 1HG2 VAL 3 HG21 VAL 3 -1.323 3.234 -3.093
25 2HG2 VAL 3 HG23 VAL 3 -1.815 4.793 -2.430
26 3HG2 VAL 3 HG22 VAL 3 -0.772 4.726 -3.852
27 H VAL 4 HN VAL 4 0.672 2.939 1.402
28 HA VAL 4 HA VAL 4 3.459 3.437 1.501
29 HB VAL 4 HB VAL 4 2.320 3.526 3.548
30 1HG1 VAL 4 HG12 VAL 4 1.021 0.991 2.600
31 2HG1 VAL 4 HG11 VAL 4 1.049 1.356 4.324
32 3HG1 VAL 4 HG13 VAL 4 0.271 2.470 3.200
33 1HG2 VAL 4 HG21 VAL 4 3.652 0.801 3.513
34 2HG2 VAL 4 HG23 VAL 4 4.437 2.340 3.878
35 3HG2 VAL 4 HG22 VAL 4 3.214 1.690 4.970
36 H GLN 5 HN GLN 5 5.111 1.728 2.189
37 HA GLN 5 HA GLN 5 6.414 -0.106 1.485
38 1HB GLN 5 HB2 GLN 5 3.624 -1.122 1.945
39 2HB GLN 5 HB1 GLN 5 4.899 -2.220 1.415
40 1HG GLN 5 HG2 GLN 5 6.279 -1.586 3.339
41 2HG GLN 5 HG1 GLN 5 5.044 -0.440 3.863
42 1HE2 GLN 5 HE22 GLN 5 4.534 -3.661 5.720
43 2HE2 GLN 5 HE21 GLN 5 5.826 -2.555 5.583
44 H ASP 6 HN ASP 6 7.028 0.438 -0.563
45 HA ASP 6 HA ASP 6 5.319 0.285 -2.907
46 1HB ASP 6 HB2 ASP 6 8.173 0.777 -2.196
47 2HB ASP 6 HB1 ASP 6 7.814 0.372 -3.874
48 H TRP 7 HN TRP 7 7.372 -1.951 -1.192
49 HA TRP 7 HA TRP 7 7.132 -3.931 -3.428
50 1HB TRP 7 HB2 TRP 7 9.034 -5.006 -2.028
51 2HB TRP 7 HB1 TRP 7 9.409 -3.547 -2.939
52 HD1 TRP 7 HD1 TRP 7 10.478 -1.660 -1.617
53 HE1 TRP 7 HE1 TRP 7 10.729 -1.054 0.875
54 HE3 TRP 7 HE3 TRP 7 7.620 -5.324 0.465
55 HZ2 TRP 7 HZ2 TRP 7 9.833 -2.005 3.421
56 HZ3 TRP 7 HZ3 TRP 7 7.335 -5.462 2.925
57 HH2 TRP 7 HH2 TRP 7 8.436 -3.804 4.404
58 H GLY 8 HN GLY 8 6.155 -3.188 -0.226
59 1HA GLY 8 HA2 GLY 8 5.222 -5.995 0.173
60 2HA GLY 8 HA1 GLY 8 5.624 -4.904 1.499
61 H HIS 9 HN HIS 9 3.401 -5.200 -1.266
62 HA HIS 9 HA HIS 9 1.535 -3.243 -0.159
63 1HB HIS 9 HB2 HIS 9 1.350 -5.282 -2.403
64 2HB HIS 9 HB1 HIS 9 0.196 -3.977 -2.124
65 HD1 HIS 9 HD1 HIS 9 0.933 -3.071 -4.533
66 HD2 HIS 9 HD2 HIS 9 3.889 -2.943 -1.597
67 HE1 HIS 9 HE1 HIS 9 2.742 -1.528 -5.405
68 H HIS 10 HN HIS 10 -0.873 -4.050 0.006
69 HA HIS 10 HA HIS 10 -0.983 -6.725 1.338
70 1HB HIS 10 HB2 HIS 10 -2.748 -5.018 2.738
71 2HB HIS 10 HB1 HIS 10 -1.231 -5.683 3.329
72 HD1 HIS 10 HD1 HIS 10 0.592 -4.037 3.833
73 HD2 HIS 10 HD2 HIS 10 -2.352 -2.388 1.383
74 HE1 HIS 10 HE1 HIS 10 1.172 -1.587 3.566
75 H ARG 11 HN ARG 11 -3.562 -4.314 1.235
76 HA ARG 11 HA ARG 11 -4.846 -5.537 -1.095
77 1HB ARG 11 HB2 ARG 11 -5.696 -7.201 0.213
78 2HB ARG 11 HB1 ARG 11 -5.303 -6.347 1.700
79 1HG ARG 11 HG2 ARG 11 -7.319 -5.106 1.648
80 2HG ARG 11 HG1 ARG 11 -7.628 -5.520 -0.041
81 1HD ARG 11 HD2 ARG 11 -7.725 -7.978 0.760
82 2HD ARG 11 HD1 ARG 11 -7.865 -7.302 2.396
83 HE ARG 11 HE ARG 11 -9.953 -6.253 1.750
84 1HH1 ARG 11 HH21 ARG 11 -10.661 -5.356 -0.522
85 2HH1 ARG 11 HH22 ARG 11 -11.088 -6.632 -1.611
86 1HH2 ARG 11 HH11 ARG 11 -9.557 -9.110 0.279
87 2HH2 ARG 11 HH12 ARG 11 -10.465 -8.761 -1.160
88 H CYS 12 HN CYS 12 -4.973 -3.376 -1.882
89 HA CYS 12 HA CYS 12 -6.411 -1.368 -0.218
90 1HB CYS 12 HB2 CYS 12 -4.550 -1.390 -2.562
91 2HB CYS 12 HB1 CYS 12 -5.648 -0.016 -2.394
92 H THR 13 HN THR 13 -6.508 -1.216 -3.706
93 HA THR 13 HA THR 13 -9.324 -2.190 -3.781
94 HB THR 13 HB THR 13 -8.576 0.513 -4.895
95 HG1 THR 13 HG1 THR 13 -9.307 -0.178 -2.253
96 1HG2 THR 13 HG21 THR 13 -10.726 -0.677 -5.498
97 2HG2 THR 13 HG23 THR 13 -11.194 -0.542 -3.802
98 3HG2 THR 13 HG22 THR 13 -10.944 0.913 -4.767
99 1HN NH2 14 HT1 NH2 14 -7.172 -3.524 -5.006
100 2HN NH2 14 HT2 NH2 14 -7.223 -3.285 -6.694
No H/Q in entry = 100
Start of MODEL 18
1 1H ILE 1 HT2 ILE 1 -6.001 4.436 -0.895
2 2H ILE 1 HT1 ILE 1 -6.479 5.771 -1.828
3 3H ILE 1 HT3 ILE 1 -5.076 4.909 -2.235
4 HA ILE 1 HA ILE 1 -4.510 6.999 -1.138
5 HB ILE 1 HB ILE 1 -6.580 7.236 0.103
6 1HG1 ILE 1 HG12 ILE 1 -4.123 6.867 1.837
7 2HG1 ILE 1 HG11 ILE 1 -4.756 8.372 1.167
8 1HG2 ILE 1 HG21 ILE 1 -5.684 4.707 1.516
9 2HG2 ILE 1 HG23 ILE 1 -7.023 5.716 2.059
10 3HG2 ILE 1 HG22 ILE 1 -7.111 4.902 0.498
11 1HD1 ILE 1 HD11 ILE 1 -6.235 6.647 3.176
12 2HD1 ILE 1 HD13 ILE 1 -5.292 8.076 3.599
13 3HD1 ILE 1 HD12 ILE 1 -6.727 8.235 2.585
14 H CYS 2 HN CYS 2 -4.742 3.738 0.232
15 HA CYS 2 HA CYS 2 -2.313 3.880 1.784
16 1HB CYS 2 HB2 CYS 2 -2.566 1.351 1.681
17 2HB CYS 2 HB1 CYS 2 -3.969 2.220 2.294
18 H VAL 3 HN VAL 3 -0.423 4.352 0.738
19 HA VAL 3 HA VAL 3 0.285 2.678 -1.629
20 HB VAL 3 HB VAL 3 0.642 5.626 -1.110
21 1HG1 VAL 3 HG12 VAL 3 2.080 3.789 -3.015
22 2HG1 VAL 3 HG11 VAL 3 1.816 5.480 -3.441
23 3HG1 VAL 3 HG13 VAL 3 2.744 5.068 -1.999
24 1HG2 VAL 3 HG23 VAL 3 -1.040 3.931 -2.837
25 2HG2 VAL 3 HG22 VAL 3 -1.299 5.590 -2.300
26 3HG2 VAL 3 HG21 VAL 3 -0.261 5.265 -3.688
27 H VAL 4 HN VAL 4 0.925 3.119 1.448
28 HA VAL 4 HA VAL 4 3.725 3.600 1.672
29 HB VAL 4 HB VAL 4 2.465 3.636 3.653
30 1HG1 VAL 4 HG13 VAL 4 1.232 1.167 2.521
31 2HG1 VAL 4 HG12 VAL 4 1.275 1.320 4.277
32 3HG1 VAL 4 HG11 VAL 4 0.461 2.544 3.304
33 1HG2 VAL 4 HG21 VAL 4 4.650 2.365 3.826
34 2HG2 VAL 4 HG23 VAL 4 3.479 2.016 5.096
35 3HG2 VAL 4 HG22 VAL 4 3.699 0.880 3.765
36 H GLN 5 HN GLN 5 5.372 1.918 2.192
37 HA GLN 5 HA GLN 5 6.658 0.106 1.373
38 1HB GLN 5 HB2 GLN 5 3.933 -1.149 1.794
39 2HB GLN 5 HB1 GLN 5 5.444 -2.040 1.625
40 1HG GLN 5 HG2 GLN 5 6.178 -1.471 3.721
41 2HG GLN 5 HG1 GLN 5 5.404 0.114 3.674
42 1HE2 GLN 5 HE22 GLN 5 3.552 -2.313 5.982
43 2HE2 GLN 5 HE21 GLN 5 5.214 -1.962 5.834
44 H ASP 6 HN ASP 6 7.043 0.731 -0.748
45 HA ASP 6 HA ASP 6 5.262 0.705 -2.954
46 1HB ASP 6 HB2 ASP 6 7.964 1.171 -2.405
47 2HB ASP 6 HB1 ASP 6 7.981 -0.145 -3.581
48 H TRP 7 HN TRP 7 6.784 -1.885 -1.242
49 HA TRP 7 HA TRP 7 5.908 -3.849 -3.330
50 1HB TRP 7 HB2 TRP 7 7.685 -5.256 -2.030
51 2HB TRP 7 HB1 TRP 7 8.253 -3.986 -3.110
52 HD1 TRP 7 HD1 TRP 7 9.829 -2.273 -2.089
53 HE1 TRP 7 HE1 TRP 7 10.497 -1.563 0.297
54 HE3 TRP 7 HE3 TRP 7 6.566 -5.106 0.600
55 HZ2 TRP 7 HZ2 TRP 7 9.741 -2.134 3.003
56 HZ3 TRP 7 HZ3 TRP 7 6.553 -5.015 3.079
57 HH2 TRP 7 HH2 TRP 7 8.135 -3.531 4.282
58 H GLY 8 HN GLY 8 5.518 -2.740 -0.105
59 1HA GLY 8 HA2 GLY 8 4.513 -5.246 0.993
60 2HA GLY 8 HA1 GLY 8 4.427 -3.665 1.772
61 H HIS 9 HN HIS 9 3.120 -4.967 -1.298
62 HA HIS 9 HA HIS 9 0.579 -3.546 -0.836
63 1HB HIS 9 HB2 HIS 9 1.895 -5.160 -3.007
64 2HB HIS 9 HB1 HIS 9 0.157 -4.851 -3.094
65 HD1 HIS 9 HD1 HIS 9 0.584 -3.275 -5.171
66 HD2 HIS 9 HD2 HIS 9 2.335 -1.975 -1.617
67 HE1 HIS 9 HE1 HIS 9 1.237 -0.855 -5.537
68 H HIS 10 HN HIS 10 -0.699 -4.566 0.716
69 HA HIS 10 HA HIS 10 -0.961 -7.538 0.554
70 1HB HIS 10 HB2 HIS 10 -0.903 -5.493 2.685
71 2HB HIS 10 HB1 HIS 10 -2.079 -6.785 2.923
72 HD1 HIS 10 HD1 HIS 10 -1.098 -9.282 2.836
73 HD2 HIS 10 HD2 HIS 10 1.743 -6.249 3.151
74 HE1 HIS 10 HE1 HIS 10 1.056 -10.393 3.569
75 H ARG 11 HN ARG 11 -2.933 -4.583 1.040
76 HA ARG 11 HA ARG 11 -5.103 -5.715 -0.527
77 1HB ARG 11 HB2 ARG 11 -5.849 -6.933 1.253
78 2HB ARG 11 HB1 ARG 11 -4.880 -6.012 2.399
79 1HG ARG 11 HG2 ARG 11 -6.527 -4.245 2.460
80 2HG ARG 11 HG1 ARG 11 -7.458 -5.001 1.169
81 1HD ARG 11 HD2 ARG 11 -8.621 -6.084 2.797
82 2HD ARG 11 HD1 ARG 11 -7.141 -6.999 3.139
83 HE ARG 11 HE ARG 11 -8.179 -5.123 4.927
84 1HH1 ARG 11 HH11 ARG 11 -5.372 -6.645 4.695
85 2HH1 ARG 11 HH12 ARG 11 -4.328 -5.322 5.118
86 1HH2 ARG 11 HH21 ARG 11 -6.800 -2.914 4.763
87 2HH2 ARG 11 HH22 ARG 11 -5.141 -3.214 5.159
88 H CYS 12 HN CYS 12 -5.200 -3.776 -1.659
89 HA CYS 12 HA CYS 12 -5.962 -1.340 -0.092
90 1HB CYS 12 HB2 CYS 12 -3.955 -1.845 -2.235
91 2HB CYS 12 HB1 CYS 12 -4.837 -0.318 -2.323
92 H THR 13 HN THR 13 -5.833 -1.350 -3.578
93 HA THR 13 HA THR 13 -8.810 -1.670 -3.701
94 HB THR 13 HB THR 13 -8.416 0.685 -3.683
95 HG1 THR 13 HG1 THR 13 -8.853 1.243 -5.892
96 1HG2 THR 13 HG22 THR 13 -5.963 0.538 -4.000
97 2HG2 THR 13 HG21 THR 13 -6.218 0.180 -5.708
98 3HG2 THR 13 HG23 THR 13 -6.685 1.751 -5.058
99 1HN NH2 14 HT1 NH2 14 -9.514 -2.068 -6.075
100 2HN NH2 14 HT2 NH2 14 -8.447 -2.944 -7.078
No H/Q in entry = 100
Start of MODEL 19
1 1H ILE 1 HT2 ILE 1 -6.623 4.455 -0.064
2 2H ILE 1 HT1 ILE 1 -7.261 5.696 -1.034
3 3H ILE 1 HT3 ILE 1 -5.829 4.912 -1.497
4 HA ILE 1 HA ILE 1 -5.246 7.040 -0.584
5 HB ILE 1 HB ILE 1 -7.588 6.685 0.747
6 1HG1 ILE 1 HG12 ILE 1 -5.286 8.511 1.487
7 2HG1 ILE 1 HG11 ILE 1 -6.592 8.850 0.349
8 1HG2 ILE 1 HG22 ILE 1 -6.328 5.088 2.328
9 2HG2 ILE 1 HG21 ILE 1 -5.539 6.533 2.963
10 3HG2 ILE 1 HG23 ILE 1 -7.294 6.361 3.076
11 1HD1 ILE 1 HD13 ILE 1 -7.924 8.131 2.685
12 2HD1 ILE 1 HD12 ILE 1 -6.565 9.095 3.262
13 3HD1 ILE 1 HD11 ILE 1 -7.697 9.776 2.093
14 H CYS 2 HN CYS 2 -4.621 3.938 -0.359
15 HA CYS 2 HA CYS 2 -2.399 4.296 1.618
16 1HB CYS 2 HB2 CYS 2 -2.803 1.767 1.991
17 2HB CYS 2 HB1 CYS 2 -3.979 2.887 2.679
18 H VAL 3 HN VAL 3 -0.551 4.307 0.413
19 HA VAL 3 HA VAL 3 -0.230 2.204 -1.678
20 HB VAL 3 HB VAL 3 0.238 5.173 -1.785
21 1HG1 VAL 3 HG12 VAL 3 1.529 2.993 -3.426
22 2HG1 VAL 3 HG11 VAL 3 1.295 4.610 -4.087
23 3HG1 VAL 3 HG13 VAL 3 2.296 4.379 -2.655
24 1HG2 VAL 3 HG21 VAL 3 -1.578 3.222 -3.009
25 2HG2 VAL 3 HG23 VAL 3 -1.744 4.973 -2.878
26 3HG2 VAL 3 HG22 VAL 3 -0.807 4.272 -4.197
27 H VAL 4 HN VAL 4 0.743 3.112 1.173
28 HA VAL 4 HA VAL 4 3.546 3.524 1.118
29 HB VAL 4 HB VAL 4 2.303 3.810 3.128
30 1HG1 VAL 4 HG12 VAL 4 1.289 1.081 2.455
31 2HG1 VAL 4 HG11 VAL 4 1.351 1.548 4.156
32 3HG1 VAL 4 HG13 VAL 4 0.399 2.499 3.014
33 1HG2 VAL 4 HG22 VAL 4 4.580 2.892 3.472
34 2HG2 VAL 4 HG21 VAL 4 3.470 2.377 4.740
35 3HG2 VAL 4 HG23 VAL 4 3.908 1.262 3.449
36 H GLN 5 HN GLN 5 5.125 1.761 1.938
37 HA GLN 5 HA GLN 5 6.281 -0.236 1.371
38 1HB GLN 5 HB2 GLN 5 3.388 -1.058 1.610
39 2HB GLN 5 HB1 GLN 5 4.661 -2.225 1.271
40 1HG GLN 5 HG2 GLN 5 5.754 -1.811 3.337
41 2HG GLN 5 HG1 GLN 5 4.837 -0.332 3.616
42 1HE2 GLN 5 HE22 GLN 5 2.139 -2.013 5.167
43 2HE2 GLN 5 HE21 GLN 5 2.830 -0.519 4.717
44 H ASP 6 HN ASP 6 6.958 0.388 -0.690
45 HA ASP 6 HA ASP 6 5.312 0.305 -3.062
46 1HB ASP 6 HB2 ASP 6 8.307 0.279 -2.596
47 2HB ASP 6 HB1 ASP 6 7.531 0.650 -4.135
48 H TRP 7 HN TRP 7 7.176 -2.044 -1.305
49 HA TRP 7 HA TRP 7 6.866 -4.027 -3.538
50 1HB TRP 7 HB2 TRP 7 8.790 -5.125 -2.165
51 2HB TRP 7 HB1 TRP 7 9.171 -3.690 -3.115
52 HD1 TRP 7 HD1 TRP 7 10.293 -1.794 -1.848
53 HE1 TRP 7 HE1 TRP 7 10.566 -1.123 0.626
54 HE3 TRP 7 HE3 TRP 7 7.438 -5.390 0.355
55 HZ2 TRP 7 HZ2 TRP 7 9.694 -2.008 3.205
56 HZ3 TRP 7 HZ3 TRP 7 7.177 -5.467 2.816
57 HH2 TRP 7 HH2 TRP 7 8.300 -3.780 4.246
58 H GLY 8 HN GLY 8 5.964 -3.225 -0.328
59 1HA GLY 8 HA2 GLY 8 4.996 -6.018 0.115
60 2HA GLY 8 HA1 GLY 8 5.559 -4.984 1.426
61 H HIS 9 HN HIS 9 3.084 -5.095 -1.138
62 HA HIS 9 HA HIS 9 1.398 -3.152 0.285
63 1HB HIS 9 HB2 HIS 9 1.273 -4.787 -2.244
64 2HB HIS 9 HB1 HIS 9 -0.152 -3.911 -1.672
65 HD1 HIS 9 HD1 HIS 9 -0.248 -1.445 -2.174
66 HD2 HIS 9 HD2 HIS 9 3.596 -2.986 -2.677
67 HE1 HIS 9 HE1 HIS 9 1.153 0.422 -3.162
68 H HIS 10 HN HIS 10 -1.108 -4.075 0.174
69 HA HIS 10 HA HIS 10 -1.157 -6.777 1.442
70 1HB HIS 10 HB2 HIS 10 -1.479 -4.173 2.676
71 2HB HIS 10 HB1 HIS 10 -2.946 -5.132 2.869
72 HD1 HIS 10 HD1 HIS 10 -1.404 -7.930 2.928
73 HD2 HIS 10 HD2 HIS 10 -0.543 -4.618 5.306
74 HE1 HIS 10 HE1 HIS 10 -0.200 -8.812 4.974
75 H ARG 11 HN ARG 11 -3.671 -4.291 1.268
76 HA ARG 11 HA ARG 11 -4.985 -5.516 -1.047
77 1HB ARG 11 HB2 ARG 11 -7.005 -6.112 0.446
78 2HB ARG 11 HB1 ARG 11 -5.598 -7.171 0.550
79 1HG ARG 11 HG2 ARG 11 -4.830 -6.011 2.560
80 2HG ARG 11 HG1 ARG 11 -6.161 -4.863 2.434
81 1HD ARG 11 HD2 ARG 11 -7.704 -6.364 3.248
82 2HD ARG 11 HD1 ARG 11 -6.910 -7.750 2.476
83 HE ARG 11 HE ARG 11 -6.086 -6.511 5.051
84 1HH1 ARG 11 HH21 ARG 11 -4.530 -8.023 2.523
85 2HH1 ARG 11 HH22 ARG 11 -3.954 -9.376 3.439
86 1HH2 ARG 11 HH11 ARG 11 -5.812 -8.604 6.263
87 2HH2 ARG 11 HH12 ARG 11 -4.670 -9.704 5.550
88 H CYS 12 HN CYS 12 -4.644 -3.123 -1.496
89 HA CYS 12 HA CYS 12 -6.564 -1.340 -0.075
90 1HB CYS 12 HB2 CYS 12 -4.137 -1.025 -1.823
91 2HB CYS 12 HB1 CYS 12 -5.272 0.322 -1.672
92 H THR 13 HN THR 13 -5.546 -1.080 -3.444
93 HA THR 13 HA THR 13 -8.408 -1.441 -4.277
94 HB THR 13 HB THR 13 -6.320 0.526 -5.268
95 HG1 THR 13 HG1 THR 13 -7.584 2.023 -4.198
96 1HG2 THR 13 HG21 THR 13 -8.322 -0.489 -6.757
97 2HG2 THR 13 HG23 THR 13 -9.206 0.794 -5.929
98 3HG2 THR 13 HG22 THR 13 -7.785 1.186 -6.900
99 1HN NH2 14 HT1 NH2 14 -7.069 -3.747 -4.523
100 2HN NH2 14 HT2 NH2 14 -6.488 -4.011 -6.105
No H/Q in entry = 100
Start of MODEL 20
1 1H ILE 1 HT1 ILE 1 -6.035 2.965 -0.910
2 2H ILE 1 HT3 ILE 1 -6.974 3.877 -1.988
3 3H ILE 1 HT2 ILE 1 -5.410 3.381 -2.433
4 HA ILE 1 HA ILE 1 -5.143 5.623 -1.864
5 HB ILE 1 HB ILE 1 -7.529 5.401 -0.801
6 1HG1 ILE 1 HG12 ILE 1 -5.394 7.275 0.257
7 2HG1 ILE 1 HG11 ILE 1 -6.458 7.550 -1.124
8 1HG2 ILE 1 HG22 ILE 1 -6.253 3.967 1.100
9 2HG2 ILE 1 HG21 ILE 1 -6.134 5.573 1.819
10 3HG2 ILE 1 HG23 ILE 1 -7.715 4.898 1.426
11 1HD1 ILE 1 HD13 ILE 1 -8.210 6.951 0.960
12 2HD1 ILE 1 HD12 ILE 1 -6.978 7.958 1.721
13 3HD1 ILE 1 HD11 ILE 1 -7.869 8.560 0.323
14 H CYS 2 HN CYS 2 -4.033 2.831 -0.980
15 HA CYS 2 HA CYS 2 -2.251 3.903 1.182
16 1HB CYS 2 HB2 CYS 2 -2.252 1.042 1.162
17 2HB CYS 2 HB1 CYS 2 -2.840 2.112 2.426
18 H VAL 3 HN VAL 3 -0.329 4.340 0.200
19 HA VAL 3 HA VAL 3 0.702 2.398 -1.825
20 HB VAL 3 HB VAL 3 0.885 5.372 -1.455
21 1HG1 VAL 3 HG11 VAL 3 2.765 3.603 -3.040
22 2HG1 VAL 3 HG13 VAL 3 2.581 5.327 -3.356
23 3HG1 VAL 3 HG12 VAL 3 3.189 4.777 -1.794
24 1HG2 VAL 3 HG22 VAL 3 -0.378 3.495 -3.284
25 2HG2 VAL 3 HG21 VAL 3 -0.666 5.224 -3.091
26 3HG2 VAL 3 HG23 VAL 3 0.622 4.658 -4.156
27 H VAL 4 HN VAL 4 0.989 3.013 1.271
28 HA VAL 4 HA VAL 4 3.713 3.521 1.833
29 HB VAL 4 HB VAL 4 2.405 3.492 3.731
30 1HG1 VAL 4 HG12 VAL 4 0.977 1.285 2.337
31 2HG1 VAL 4 HG11 VAL 4 0.919 1.278 4.100
32 3HG1 VAL 4 HG13 VAL 4 0.322 2.676 3.204
33 1HG2 VAL 4 HG22 VAL 4 4.399 1.778 3.812
34 2HG2 VAL 4 HG21 VAL 4 3.273 1.889 5.162
35 3HG2 VAL 4 HG23 VAL 4 3.105 0.592 3.977
36 H GLN 5 HN GLN 5 5.477 2.132 2.174
37 HA GLN 5 HA GLN 5 6.929 0.438 1.346
38 1HB GLN 5 HB2 GLN 5 4.575 -0.742 2.751
39 2HB GLN 5 HB1 GLN 5 5.714 -1.835 1.967
40 1HG GLN 5 HG2 GLN 5 6.389 -1.472 4.302
41 2HG GLN 5 HG1 GLN 5 7.578 -0.768 3.210
42 1HE2 GLN 5 HE22 GLN 5 6.845 2.597 4.145
43 2HE2 GLN 5 HE21 GLN 5 7.538 1.616 2.935
44 H ASP 6 HN ASP 6 6.866 0.762 -0.861
45 HA ASP 6 HA ASP 6 4.827 0.030 -2.705
46 1HB ASP 6 HB2 ASP 6 7.716 0.696 -2.696
47 2HB ASP 6 HB1 ASP 6 7.130 -0.145 -4.131
48 H TRP 7 HN TRP 7 7.683 -1.773 -1.605
49 HA TRP 7 HA TRP 7 7.025 -4.139 -3.209
50 1HB TRP 7 HB2 TRP 7 8.922 -5.073 -1.701
51 2HB TRP 7 HB1 TRP 7 9.329 -3.765 -2.807
52 HD1 TRP 7 HD1 TRP 7 10.499 -1.779 -1.773
53 HE1 TRP 7 HE1 TRP 7 10.814 -0.841 0.606
54 HE3 TRP 7 HE3 TRP 7 7.501 -4.978 0.828
55 HZ2 TRP 7 HZ2 TRP 7 9.907 -1.380 3.263
56 HZ3 TRP 7 HZ3 TRP 7 7.237 -4.744 3.280
57 HH2 TRP 7 HH2 TRP 7 8.436 -2.950 4.499
58 H GLY 8 HN GLY 8 6.106 -2.893 -0.159
59 1HA GLY 8 HA2 GLY 8 5.098 -5.578 0.672
60 2HA GLY 8 HA1 GLY 8 5.527 -4.301 1.809
61 H HIS 9 HN HIS 9 3.311 -4.907 -0.927
62 HA HIS 9 HA HIS 9 1.397 -2.919 0.188
63 1HB HIS 9 HB2 HIS 9 1.895 -4.344 -2.395
64 2HB HIS 9 HB1 HIS 9 0.246 -3.812 -2.062
65 HD1 HIS 9 HD1 HIS 9 1.452 -2.381 -4.336
66 HD2 HIS 9 HD2 HIS 9 2.133 -1.116 -0.423
67 HE1 HIS 9 HE1 HIS 9 2.138 0.050 -4.482
68 H HIS 10 HN HIS 10 -0.904 -3.606 0.396
69 HA HIS 10 HA HIS 10 -1.110 -6.447 1.311
70 1HB HIS 10 HB2 HIS 10 -2.614 -3.907 2.021
71 2HB HIS 10 HB1 HIS 10 -3.000 -5.498 2.678
72 HD1 HIS 10 HD1 HIS 10 -0.363 -6.675 3.401
73 HD2 HIS 10 HD2 HIS 10 -1.152 -2.620 3.974
74 HE1 HIS 10 HE1 HIS 10 1.268 -5.869 5.165
75 H ARG 11 HN ARG 11 -3.751 -4.241 0.570
76 HA ARG 11 HA ARG 11 -4.395 -5.190 -2.050
77 1HB ARG 11 HB2 ARG 11 -6.222 -6.776 -1.379
78 2HB ARG 11 HB1 ARG 11 -4.619 -7.343 -0.914
79 1HG ARG 11 HG2 ARG 11 -5.161 -6.036 1.323
80 2HG ARG 11 HG1 ARG 11 -6.830 -6.289 0.808
81 1HD ARG 11 HD2 ARG 11 -6.242 -8.757 0.506
82 2HD ARG 11 HD1 ARG 11 -4.726 -8.403 1.357
83 HE ARG 11 HE ARG 11 -5.967 -8.123 3.355
84 1HH1 ARG 11 HH11 ARG 11 -7.988 -8.123 0.552
85 2HH1 ARG 11 HH12 ARG 11 -9.466 -8.087 1.464
86 1HH2 ARG 11 HH21 ARG 11 -7.885 -8.047 4.546
87 2HH2 ARG 11 HH22 ARG 11 -9.405 -8.040 3.714
88 H CYS 12 HN CYS 12 -4.607 -2.695 -1.455
89 HA CYS 12 HA CYS 12 -6.984 -1.839 -0.042
90 1HB CYS 12 HB2 CYS 12 -5.232 -0.459 -2.106
91 2HB CYS 12 HB1 CYS 12 -6.345 0.347 -0.998
92 H THR 13 HN THR 13 -8.354 -0.137 -1.574
93 HA THR 13 HA THR 13 -9.638 -1.887 -3.613
94 HB THR 13 HB THR 13 -10.607 0.753 -2.505
95 HG1 THR 13 HG1 THR 13 -11.059 -1.810 -1.392
96 1HG2 THR 13 HG21 THR 13 -11.629 -1.081 -4.364
97 2HG2 THR 13 HG23 THR 13 -12.541 -1.378 -2.884
98 3HG2 THR 13 HG22 THR 13 -12.511 0.237 -3.592
99 1HN NH2 14 HT1 NH2 14 -7.109 -0.544 -4.331
100 2HN NH2 14 HT2 NH2 14 -7.471 0.596 -5.546
No H/Q in entry = 100
Start of MODEL 21
1 1H ILE 1 HT2 ILE 1 -6.402 5.094 -0.997
2 2H ILE 1 HT1 ILE 1 -6.754 6.421 -1.996
3 3H ILE 1 HT3 ILE 1 -5.296 5.578 -2.195
4 HA ILE 1 HA ILE 1 -4.813 7.606 -1.046
5 HB ILE 1 HB ILE 1 -7.387 7.436 -0.325
6 1HG1 ILE 1 HG12 ILE 1 -6.129 9.486 -0.186
7 2HG1 ILE 1 HG11 ILE 1 -6.890 9.228 1.385
8 1HG2 ILE 1 HG21 ILE 1 -6.962 5.563 1.265
9 2HG2 ILE 1 HG23 ILE 1 -5.914 6.630 2.200
10 3HG2 ILE 1 HG22 ILE 1 -7.635 6.987 2.059
11 1HD1 ILE 1 HD13 ILE 1 -4.765 8.193 2.193
12 2HD1 ILE 1 HD12 ILE 1 -4.018 8.599 0.649
13 3HD1 ILE 1 HD11 ILE 1 -4.567 9.882 1.726
14 H CYS 2 HN CYS 2 -4.643 4.374 -0.705
15 HA CYS 2 HA CYS 2 -2.613 4.565 1.490
16 1HB CYS 2 HB2 CYS 2 -3.477 2.296 2.208
17 2HB CYS 2 HB1 CYS 2 -4.634 3.610 2.437
18 H VAL 3 HN VAL 3 -0.683 3.961 0.583
19 HA VAL 3 HA VAL 3 -0.619 1.607 -1.225
20 HB VAL 3 HB VAL 3 0.371 4.394 -1.819
21 1HG1 VAL 3 HG13 VAL 3 1.046 1.747 -2.972
22 2HG1 VAL 3 HG12 VAL 3 0.692 3.019 -4.142
23 3HG1 VAL 3 HG11 VAL 3 1.984 3.241 -2.962
24 1HG2 VAL 3 HG23 VAL 3 -1.881 2.674 -2.841
25 2HG2 VAL 3 HG22 VAL 3 -1.920 4.364 -2.336
26 3HG2 VAL 3 HG21 VAL 3 -1.181 3.921 -3.874
27 H VAL 4 HN VAL 4 0.410 2.730 1.471
28 HA VAL 4 HA VAL 4 3.146 3.076 1.649
29 HB VAL 4 HB VAL 4 1.920 3.073 3.647
30 1HG1 VAL 4 HG11 VAL 4 0.521 0.886 2.365
31 2HG1 VAL 4 HG13 VAL 4 0.920 0.465 4.030
32 3HG1 VAL 4 HG12 VAL 4 -0.017 1.920 3.690
33 1HG2 VAL 4 HG22 VAL 4 3.353 0.400 3.596
34 2HG2 VAL 4 HG21 VAL 4 4.086 1.958 3.981
35 3HG2 VAL 4 HG23 VAL 4 2.869 1.267 5.052
36 H GLN 5 HN GLN 5 4.816 1.401 2.306
37 HA GLN 5 HA GLN 5 6.173 -0.394 1.605
38 1HB GLN 5 HB2 GLN 5 3.404 -1.598 1.763
39 2HB GLN 5 HB1 GLN 5 4.870 -2.552 1.542
40 1HG GLN 5 HG2 GLN 5 5.528 -2.283 3.701
41 2HG GLN 5 HG1 GLN 5 5.024 -0.593 3.738
42 1HE2 GLN 5 HE22 GLN 5 2.758 -2.644 5.955
43 2HE2 GLN 5 HE21 GLN 5 4.448 -2.432 5.886
44 H ASP 6 HN ASP 6 6.822 0.295 -0.414
45 HA ASP 6 HA ASP 6 5.167 0.011 -2.818
46 1HB ASP 6 HB2 ASP 6 8.053 0.707 -2.225
47 2HB ASP 6 HB1 ASP 6 7.380 0.726 -3.856
48 H TRP 7 HN TRP 7 7.422 -1.891 -1.047
49 HA TRP 7 HA TRP 7 7.810 -3.809 -3.300
50 1HB TRP 7 HB2 TRP 7 9.325 -4.784 -1.297
51 2HB TRP 7 HB1 TRP 7 9.894 -3.496 -2.350
52 HD1 TRP 7 HD1 TRP 7 10.353 -1.217 -1.310
53 HE1 TRP 7 HE1 TRP 7 10.224 -0.235 1.068
54 HE3 TRP 7 HE3 TRP 7 7.818 -4.953 1.008
55 HZ2 TRP 7 HZ2 TRP 7 9.166 -0.953 3.627
56 HZ3 TRP 7 HZ3 TRP 7 7.251 -4.792 3.421
57 HH2 TRP 7 HH2 TRP 7 7.920 -2.794 4.730
58 H GLY 8 HN GLY 8 5.958 -3.286 -0.493
59 1HA GLY 8 HA2 GLY 8 5.000 -6.090 -0.614
60 2HA GLY 8 HA1 GLY 8 5.446 -5.397 0.944
61 H HIS 9 HN HIS 9 3.179 -5.081 -1.758
62 HA HIS 9 HA HIS 9 1.548 -3.062 -0.405
63 1HB HIS 9 HB2 HIS 9 1.323 -4.779 -2.883
64 2HB HIS 9 HB1 HIS 9 0.010 -3.708 -2.378
65 HD1 HIS 9 HD1 HIS 9 2.378 -3.548 -4.805
66 HD2 HIS 9 HD2 HIS 9 1.717 -1.053 -1.531
67 HE1 HIS 9 HE1 HIS 9 3.476 -1.333 -5.358
68 H HIS 10 HN HIS 10 -0.312 -3.430 0.799
69 HA HIS 10 HA HIS 10 -0.786 -6.160 1.771
70 1HB HIS 10 HB2 HIS 10 -1.183 -3.444 2.601
71 2HB HIS 10 HB1 HIS 10 -2.729 -4.289 2.689
72 HD1 HIS 10 HD1 HIS 10 -3.076 -5.458 4.855
73 HD2 HIS 10 HD2 HIS 10 0.973 -5.228 3.884
74 HE1 HIS 10 HE1 HIS 10 -1.814 -6.529 6.775
75 H ARG 11 HN ARG 11 -3.314 -3.807 0.958
76 HA ARG 11 HA ARG 11 -4.356 -5.117 -1.360
77 1HB ARG 11 HB2 ARG 11 -6.263 -6.309 -0.151
78 2HB ARG 11 HB1 ARG 11 -4.672 -7.036 0.046
79 1HG ARG 11 HG2 ARG 11 -4.565 -5.436 2.163
80 2HG ARG 11 HG1 ARG 11 -6.322 -5.524 2.035
81 1HD ARG 11 HD2 ARG 11 -6.296 -7.930 2.234
82 2HD ARG 11 HD1 ARG 11 -4.528 -7.974 2.094
83 HE ARG 11 HE ARG 11 -4.375 -6.919 4.290
84 1HH1 ARG 11 HH11 ARG 11 -7.486 -6.217 3.427
85 2HH1 ARG 11 HH12 ARG 11 -8.233 -6.763 4.896
86 1HH2 ARG 11 HH21 ARG 11 -5.360 -8.281 6.105
87 2HH2 ARG 11 HH22 ARG 11 -7.027 -7.925 6.411
88 H CYS 12 HN CYS 12 -4.375 -2.572 -1.303
89 HA CYS 12 HA CYS 12 -6.542 -1.304 0.185
90 1HB CYS 12 HB2 CYS 12 -4.531 -0.567 -1.919
91 2HB CYS 12 HB1 CYS 12 -5.878 0.529 -1.608
92 H THR 13 HN THR 13 -6.108 -1.089 -3.326
93 HA THR 13 HA THR 13 -9.028 -1.709 -3.643
94 HB THR 13 HB THR 13 -7.368 -0.232 -5.661
95 HG1 THR 13 HG1 THR 13 -8.417 0.875 -3.270
96 1HG2 THR 13 HG22 THR 13 -9.825 -0.843 -5.934
97 2HG2 THR 13 HG21 THR 13 -10.159 0.299 -4.631
98 3HG2 THR 13 HG23 THR 13 -9.436 0.865 -6.137
99 1HN NH2 14 HT1 NH2 14 -9.578 -3.351 -5.177
100 2HN NH2 14 HT2 NH2 14 -8.428 -4.215 -6.092
No H/Q in entry = 100