Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627893 | 5mf3 RC | 34065 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 1H1 ACE 1 -0.514 0.000 -0.890
2 H2 ACE 1 2H1 ACE 1 1.028 0.000 0.000
3 H3 ACE 1 3H1 ACE 1 -0.514 0.000 0.890
4 H AIB 2 HN AIB 2 2.062 1.771 0.171
5 HB11 AIB 2 1HB1 AIB 2 3.018 5.316 0.514
6 HB12 AIB 2 2HB1 AIB 2 3.318 3.638 1.137
7 HB13 AIB 2 3HB1 AIB 2 3.452 3.985 -0.639
8 HB21 AIB 2 1HB2 AIB 2 0.089 5.413 0.929
9 HB22 AIB 2 2HB2 AIB 2 -0.110 3.760 1.652
10 HB23 AIB 2 3HB2 AIB 2 1.322 4.782 2.101
11 H ASN 3 HN ASN 3 0.765 2.735 -2.119
12 HA ASN 3 HA ASN 3 0.736 5.153 -3.684
13 HB2 ASN 3 2HB ASN 3 0.683 2.278 -4.192
14 HB3 ASN 3 3HB ASN 3 -0.408 3.171 -5.247
15 HD21 ASN 3 1HD2 ASN 3 2.813 3.768 -3.877
16 HD22 ASN 3 2HD2 ASN 3 3.566 4.155 -5.383
17 H ILE 4 HN ILE 4 -1.527 3.373 -1.843
18 HA ILE 4 HA ILE 4 -3.868 4.235 -3.284
19 HB ILE 4 HB ILE 4 -3.720 3.088 -0.495
20 HG12 ILE 4 2HG1 ILE 4 -2.650 1.570 -2.085
21 HG13 ILE 4 3HG1 ILE 4 -4.197 0.915 -1.560
22 HG21 ILE 4 1HG2 ILE 4 -5.910 3.774 -2.361
23 HG22 ILE 4 2HG2 ILE 4 -6.074 2.270 -1.457
24 HG23 ILE 4 3HG2 ILE 4 -5.871 3.796 -0.598
25 HD11 ILE 4 1HD1 ILE 4 -4.698 2.440 -3.871
26 HD12 ILE 4 2HD1 ILE 4 -3.276 1.447 -4.197
27 HD13 ILE 4 3HD1 ILE 4 -4.781 0.689 -3.675
28 H ILE 5 HN ILE 5 -1.967 5.366 -0.589
29 HA ILE 5 HA ILE 5 -3.872 7.162 0.496
30 HB ILE 5 HB ILE 5 -0.858 7.150 0.656
31 HG12 ILE 5 2HG1 ILE 5 -3.016 6.309 2.604
32 HG13 ILE 5 3HG1 ILE 5 -1.934 5.235 1.724
33 HG21 ILE 5 1HG2 ILE 5 -1.617 9.411 0.992
34 HG22 ILE 5 2HG2 ILE 5 -2.850 8.867 2.128
35 HG23 ILE 5 3HG2 ILE 5 -1.143 8.724 2.546
36 HD11 ILE 5 1HD1 ILE 5 -0.870 5.299 3.725
37 HD12 ILE 5 2HD1 ILE 5 -0.094 6.679 2.948
38 HD13 ILE 5 3HD1 ILE 5 -1.413 6.937 4.090
39 H AIB 6 HN AIB 6 -1.694 7.226 -2.222
40 HB11 AIB 6 1HB1 AIB 6 -0.977 7.666 -4.160
41 HB12 AIB 6 2HB1 AIB 6 -1.573 9.037 -5.189
42 HB13 AIB 6 3HB1 AIB 6 -0.078 9.242 -4.180
43 HB21 AIB 6 1HB2 AIB 6 -1.977 11.029 -1.788
44 HB22 AIB 6 2HB2 AIB 6 -0.416 10.106 -1.758
45 HB23 AIB 6 3HB2 AIB 6 -0.834 11.138 -3.191
46 HA PRO 7 HA PRO 7 -5.322 10.068 -5.424
47 HB2 PRO 7 2HB PRO 7 -6.836 7.819 -5.568
48 HB3 PRO 7 3HB PRO 7 -5.479 8.135 -6.656
49 HG2 PRO 7 2HG PRO 7 -5.580 6.424 -4.201
50 HG3 PRO 7 3HG PRO 7 -4.819 6.090 -5.767
51 HD2 PRO 7 2HD PRO 7 -3.411 6.928 -3.612
52 HD3 PRO 7 3HD PRO 7 -2.957 7.356 -5.274
53 H LEU 8 HN LEU 8 -5.230 8.555 -2.343
54 HA LEU 8 HA LEU 8 -7.912 8.655 -1.570
55 HB2 LEU 8 2HB LEU 8 -5.388 8.204 -0.338
56 HB3 LEU 8 3HB LEU 8 -6.294 9.341 0.658
57 HG LEU 8 HG LEU 8 -7.129 6.555 -0.137
58 HD11 LEU 8 1HD1 LEU 8 -7.128 6.258 2.354
59 HD12 LEU 8 2HD1 LEU 8 -6.323 7.822 2.471
60 HD13 LEU 8 3HD1 LEU 8 -5.538 6.488 1.626
61 HD21 LEU 8 1HD2 LEU 8 -8.704 8.853 0.676
62 HD22 LEU 8 2HD2 LEU 8 -8.887 7.489 1.780
63 HD23 LEU 8 3HD2 LEU 8 -9.225 7.284 0.061
64 H LEU 9 HN LEU 9 -5.379 11.124 -1.394
65 HA LEU 9 HA LEU 9 -7.465 13.104 -0.750
66 HB2 LEU 9 2HB LEU 9 -5.593 14.466 0.201
67 HB3 LEU 9 3HB LEU 9 -5.981 12.993 1.087
68 HG LEU 9 HG LEU 9 -3.942 12.280 -0.695
69 HD11 LEU 9 1HD1 LEU 9 -2.164 13.905 0.023
70 HD12 LEU 9 2HD1 LEU 9 -3.460 14.968 0.568
71 HD13 LEU 9 3HD1 LEU 9 -3.337 14.530 -1.136
72 HD21 LEU 9 1HD2 LEU 9 -2.672 11.903 1.322
73 HD22 LEU 9 2HD2 LEU 9 -4.351 11.436 1.590
74 HD23 LEU 9 3HD2 LEU 9 -3.746 12.962 2.236
75 H AIB 10 HN AIB 10 -6.437 11.974 -3.356
76 HB11 AIB 10 1HB1 AIB 10 -4.926 12.140 -6.059
77 HB12 AIB 10 2HB1 AIB 10 -6.611 11.744 -5.514
78 HB13 AIB 10 3HB1 AIB 10 -6.339 13.033 -6.763
79 HB21 AIB 10 1HB2 AIB 10 -4.037 14.327 -5.745
80 HB22 AIB 10 2HB2 AIB 10 -4.381 15.125 -4.152
81 HB23 AIB 10 3HB2 AIB 10 -3.725 13.433 -4.198
82 HA PRO 11 HA PRO 11 -8.858 16.076 -6.269
83 HB2 PRO 11 2HB PRO 11 -11.225 15.338 -5.163
84 HB3 PRO 11 3HB PRO 11 -10.551 14.558 -6.598
85 HG2 PRO 11 2HG PRO 11 -10.478 13.660 -3.743
86 HG3 PRO 11 3HG PRO 11 -10.792 12.710 -5.207
87 HD2 PRO 11 2HD PRO 11 -8.386 12.719 -3.965
88 HD3 PRO 11 3HD PRO 11 -8.552 12.529 -5.722
89 HN1 DCL 12 HN DCL 12 -8.215 15.200 -3.004
90 HA DCL 12 HA DCL 12 -9.761 17.360 -1.638
91 HC1 DCL 12 2HB1 DCL 12 -6.837 18.038 -1.430
92 HC2 DCL 12 3HB1 DCL 12 -7.557 18.343 -3.068
93 HB1 DCL 12 2HB DCL 12 -7.444 15.508 -0.876
94 HB2 DCL 12 3HB DCL 12 -7.924 16.880 0.210
95 HG DCL 12 HG DCL 12 -9.849 14.717 -0.826
96 HD11 DCL 12 1HD1 DCL 12 -10.941 15.766 1.480
97 HD12 DCL 12 2HD1 DCL 12 -10.007 17.211 0.902
98 HD13 DCL 12 3HD1 DCL 12 -11.266 16.456 -0.166
99 HD21 DCL 12 1HD2 DCL 12 -9.272 14.743 2.080
100 HD22 DCL 12 2HD2 DCL 12 -9.307 13.361 0.904
101 HD23 DCL 12 3HD2 DCL 12 -7.806 14.367 1.081
102 HXT DCL 12 4H1 DCL 12 -8.569 20.146 -2.116
Start of MODEL 2
1 H1 ACE 1 1H1 ACE 1 0.439 0.074 -1.180
2 H2 ACE 1 2H1 ACE 1 0.849 0.090 0.552
3 H3 ACE 1 3H1 ACE 1 -0.856 0.091 0.041
4 H AIB 2 HN AIB 2 2.216 1.850 -0.110
5 HB11 AIB 2 1HB1 AIB 2 3.588 4.042 -0.984
6 HB12 AIB 2 2HB1 AIB 2 3.195 5.395 0.159
7 HB13 AIB 2 3HB1 AIB 2 3.507 3.726 0.801
8 HB21 AIB 2 1HB2 AIB 2 0.281 5.506 0.675
9 HB22 AIB 2 2HB2 AIB 2 0.101 3.862 1.420
10 HB23 AIB 2 3HB2 AIB 2 1.549 4.883 1.812
11 H ASN 3 HN ASN 3 0.849 2.796 -2.366
12 HA ASN 3 HA ASN 3 0.777 5.198 -3.954
13 HB2 ASN 3 2HB ASN 3 0.334 2.283 -4.476
14 HB3 ASN 3 3HB ASN 3 -0.242 3.462 -5.651
15 HD21 ASN 3 1HD2 ASN 3 2.478 1.871 -4.305
16 HD22 ASN 3 2HD2 ASN 3 3.675 2.561 -5.342
17 H ILE 4 HN ILE 4 -1.431 3.446 -2.023
18 HA ILE 4 HA ILE 4 -3.814 4.301 -3.396
19 HB ILE 4 HB ILE 4 -3.563 3.168 -0.608
20 HG12 ILE 4 2HG1 ILE 4 -4.099 1.740 -3.223
21 HG13 ILE 4 3HG1 ILE 4 -2.592 1.668 -2.317
22 HG21 ILE 4 1HG2 ILE 4 -5.910 3.381 -2.490
23 HG22 ILE 4 2HG2 ILE 4 -5.918 2.526 -0.948
24 HG23 ILE 4 3HG2 ILE 4 -5.682 4.273 -0.985
25 HD11 ILE 4 1HD1 ILE 4 -5.070 0.205 -1.940
26 HD12 ILE 4 2HD1 ILE 4 -3.438 -0.156 -1.375
27 HD13 ILE 4 3HD1 ILE 4 -4.469 0.937 -0.452
28 H ILE 5 HN ILE 5 -1.823 5.452 -0.775
29 HA ILE 5 HA ILE 5 -3.686 7.266 0.353
30 HB ILE 5 HB ILE 5 -0.669 7.244 0.416
31 HG12 ILE 5 2HG1 ILE 5 -2.765 6.430 2.440
32 HG13 ILE 5 3HG1 ILE 5 -1.716 5.344 1.536
33 HG21 ILE 5 1HG2 ILE 5 -1.409 9.512 0.755
34 HG22 ILE 5 2HG2 ILE 5 -2.607 8.982 1.935
35 HG23 ILE 5 3HG2 ILE 5 -0.887 8.837 2.298
36 HD11 ILE 5 1HD1 ILE 5 -0.471 5.410 3.392
37 HD12 ILE 5 2HD1 ILE 5 0.110 6.938 2.729
38 HD13 ILE 5 3HD1 ILE 5 -1.175 6.933 3.936
39 H AIB 6 HN AIB 6 -1.596 7.295 -2.435
40 HB11 AIB 6 1HB1 AIB 6 -1.514 9.157 -5.423
41 HB12 AIB 6 2HB1 AIB 6 -0.008 9.210 -4.412
42 HB13 AIB 6 3HB1 AIB 6 -1.023 7.705 -4.452
43 HB21 AIB 6 1HB2 AIB 6 -1.849 11.098 -2.023
44 HB22 AIB 6 2HB2 AIB 6 -0.288 10.174 -2.047
45 HB23 AIB 6 3HB2 AIB 6 -0.760 11.197 -3.470
46 HA PRO 7 HA PRO 7 -5.315 10.120 -5.547
47 HB2 PRO 7 2HB PRO 7 -6.841 7.876 -5.619
48 HB3 PRO 7 3HB PRO 7 -5.519 8.175 -6.753
49 HG2 PRO 7 2HG PRO 7 -5.548 6.489 -4.280
50 HG3 PRO 7 3HG PRO 7 -4.838 6.136 -5.866
51 HD2 PRO 7 2HD PRO 7 -3.358 6.990 -3.765
52 HD3 PRO 7 3HD PRO 7 -2.957 7.400 -5.445
53 H LEU 8 HN LEU 8 -5.129 8.638 -2.455
54 HA LEU 8 HA LEU 8 -7.784 8.756 -1.597
55 HB2 LEU 8 2HB LEU 8 -5.223 8.308 -0.442
56 HB3 LEU 8 3HB LEU 8 -6.092 9.459 0.570
57 HG LEU 8 HG LEU 8 -6.962 6.667 -0.168
58 HD11 LEU 8 1HD1 LEU 8 -6.991 6.904 2.552
59 HD12 LEU 8 2HD1 LEU 8 -5.587 7.874 2.110
60 HD13 LEU 8 3HD1 LEU 8 -5.687 6.188 1.604
61 HD21 LEU 8 1HD2 LEU 8 -9.018 7.611 -0.044
62 HD22 LEU 8 2HD2 LEU 8 -8.455 8.982 0.912
63 HD23 LEU 8 3HD2 LEU 8 -8.733 7.421 1.686
64 H LEU 9 HN LEU 9 -5.238 11.217 -1.528
65 HA LEU 9 HA LEU 9 -7.295 13.211 -0.838
66 HB2 LEU 9 2HB LEU 9 -4.372 13.658 -0.391
67 HB3 LEU 9 3HB LEU 9 -5.749 14.436 0.387
68 HG LEU 9 HG LEU 9 -4.802 11.612 0.876
69 HD11 LEU 9 1HD1 LEU 9 -4.502 12.747 3.224
70 HD12 LEU 9 2HD1 LEU 9 -4.350 14.212 2.254
71 HD13 LEU 9 3HD1 LEU 9 -3.244 12.863 1.993
72 HD21 LEU 9 1HD2 LEU 9 -7.276 12.009 1.069
73 HD22 LEU 9 2HD2 LEU 9 -6.919 13.160 2.357
74 HD23 LEU 9 3HD2 LEU 9 -6.484 11.460 2.546
75 H AIB 10 HN AIB 10 -6.356 12.051 -3.464
76 HB11 AIB 10 1HB1 AIB 10 -6.605 11.801 -5.614
77 HB12 AIB 10 2HB1 AIB 10 -6.363 13.075 -6.883
78 HB13 AIB 10 3HB1 AIB 10 -4.934 12.179 -6.211
79 HB21 AIB 10 1HB2 AIB 10 -4.307 15.162 -4.319
80 HB22 AIB 10 2HB2 AIB 10 -3.660 13.472 -4.450
81 HB23 AIB 10 3HB2 AIB 10 -4.045 14.416 -5.951
82 HA PRO 11 HA PRO 11 -8.856 16.132 -6.339
83 HB2 PRO 11 2HB PRO 11 -11.188 15.415 -5.148
84 HB3 PRO 11 3HB PRO 11 -10.564 14.617 -6.597
85 HG2 PRO 11 2HG PRO 11 -10.401 13.749 -3.736
86 HG3 PRO 11 3HG PRO 11 -10.766 12.785 -5.179
87 HD2 PRO 11 2HD PRO 11 -8.321 12.798 -4.016
88 HD3 PRO 11 3HD PRO 11 -8.545 12.590 -5.765
89 HN1 DCL 12 HN DCL 12 -8.092 15.296 -3.094
90 HA DCL 12 HA DCL 12 -9.590 17.480 -1.703
91 HC1 DCL 12 2HB1 DCL 12 -6.641 18.114 -1.614
92 HC2 DCL 12 3HB1 DCL 12 -7.443 18.446 -3.208
93 HB1 DCL 12 2HB DCL 12 -7.270 15.613 -0.987
94 HB2 DCL 12 3HB DCL 12 -7.705 17.001 0.097
95 HG DCL 12 HG DCL 12 -9.679 14.845 -0.861
96 HD11 DCL 12 1HD1 DCL 12 -11.022 16.663 -0.203
97 HD12 DCL 12 2HD1 DCL 12 -10.748 15.899 1.421
98 HD13 DCL 12 3HD1 DCL 12 -9.753 17.330 0.909
99 HD21 DCL 12 1HD2 DCL 12 -7.601 14.671 1.150
100 HD22 DCL 12 2HD2 DCL 12 -9.206 14.755 1.993
101 HD23 DCL 12 3HD2 DCL 12 -8.901 13.472 0.745
102 HXT DCL 12 4H1 DCL 12 -8.375 20.254 -2.186
Start of MODEL 3
1 H1 ACE 1 1H1 ACE 1 -0.116 0.028 -1.108
2 H2 ACE 1 2H1 ACE 1 0.883 0.037 0.365
3 H3 ACE 1 3H1 ACE 1 -0.889 0.151 0.491
4 H AIB 2 HN AIB 2 2.129 1.718 -0.038
5 HB11 AIB 2 1HB1 AIB 2 3.316 5.200 0.097
6 HB12 AIB 2 2HB1 AIB 2 3.554 3.516 0.728
7 HB13 AIB 2 3HB1 AIB 2 3.600 3.831 -1.059
8 HB21 AIB 2 1HB2 AIB 2 1.654 4.713 1.825
9 HB22 AIB 2 2HB2 AIB 2 0.550 5.570 0.668
10 HB23 AIB 2 3HB2 AIB 2 0.077 3.955 1.349
11 H ASN 3 HN ASN 3 0.817 2.669 -2.345
12 HA ASN 3 HA ASN 3 0.806 5.036 -3.987
13 HB2 ASN 3 2HB ASN 3 0.690 2.165 -4.399
14 HB3 ASN 3 3HB ASN 3 -0.499 3.004 -5.392
15 HD21 ASN 3 1HD2 ASN 3 2.879 2.572 -4.709
16 HD22 ASN 3 2HD2 ASN 3 3.473 3.330 -6.143
17 H ILE 4 HN ILE 4 -1.437 3.395 -1.996
18 HA ILE 4 HA ILE 4 -3.802 4.319 -3.360
19 HB ILE 4 HB ILE 4 -3.511 3.137 -0.595
20 HG12 ILE 4 2HG1 ILE 4 -4.424 1.802 -3.150
21 HG13 ILE 4 3HG1 ILE 4 -2.791 1.671 -2.505
22 HG21 ILE 4 1HG2 ILE 4 -6.055 2.610 -1.539
23 HG22 ILE 4 2HG2 ILE 4 -5.617 3.812 -0.327
24 HG23 ILE 4 3HG2 ILE 4 -5.762 4.281 -2.021
25 HD11 ILE 4 1HD1 ILE 4 -4.403 -0.225 -2.012
26 HD12 ILE 4 2HD1 ILE 4 -3.509 0.445 -0.648
27 HD13 ILE 4 3HD1 ILE 4 -5.197 0.889 -0.900
28 H ILE 5 HN ILE 5 -1.746 5.416 -0.769
29 HA ILE 5 HA ILE 5 -3.523 7.288 0.387
30 HB ILE 5 HB ILE 5 -0.505 7.231 0.351
31 HG12 ILE 5 2HG1 ILE 5 -1.684 5.324 1.466
32 HG13 ILE 5 3HG1 ILE 5 -0.684 6.278 2.556
33 HG21 ILE 5 1HG2 ILE 5 -1.048 9.470 0.800
34 HG22 ILE 5 2HG2 ILE 5 -2.434 9.023 1.794
35 HG23 ILE 5 3HG2 ILE 5 -0.797 8.739 2.386
36 HD11 ILE 5 1HD1 ILE 5 -2.418 6.712 3.856
37 HD12 ILE 5 2HD1 ILE 5 -3.369 7.298 2.491
38 HD13 ILE 5 3HD1 ILE 5 -3.355 5.579 2.883
39 H AIB 6 HN AIB 6 -1.502 7.256 -2.454
40 HB11 AIB 6 1HB1 AIB 6 0.040 9.247 -4.541
41 HB12 AIB 6 2HB1 AIB 6 -0.829 7.659 -4.409
42 HB13 AIB 6 3HB1 AIB 6 -1.506 8.982 -5.452
43 HB21 AIB 6 1HB2 AIB 6 -1.713 11.074 -2.078
44 HB22 AIB 6 2HB2 AIB 6 -0.164 10.131 -2.098
45 HB23 AIB 6 3HB2 AIB 6 -0.631 11.139 -3.532
46 HA PRO 7 HA PRO 7 -5.230 10.088 -5.538
47 HB2 PRO 7 2HB PRO 7 -6.772 7.854 -5.578
48 HB3 PRO 7 3HB PRO 7 -5.462 8.138 -6.730
49 HG2 PRO 7 2HG PRO 7 -5.471 6.467 -4.246
50 HG3 PRO 7 3HG PRO 7 -4.784 6.100 -5.839
51 HD2 PRO 7 2HD PRO 7 -3.272 6.956 -3.763
52 HD3 PRO 7 3HD PRO 7 -2.889 7.353 -5.450
53 H LEU 8 HN LEU 8 -5.017 8.620 -2.440
54 HA LEU 8 HA LEU 8 -7.660 8.765 -1.551
55 HB2 LEU 8 2HB LEU 8 -5.089 8.297 -0.426
56 HB3 LEU 8 3HB LEU 8 -5.936 9.459 0.593
57 HG LEU 8 HG LEU 8 -6.840 6.673 -0.125
58 HD11 LEU 8 1HD1 LEU 8 -5.413 6.296 1.595
59 HD12 LEU 8 2HD1 LEU 8 -6.832 6.751 2.537
60 HD13 LEU 8 3HD1 LEU 8 -5.563 7.935 2.228
61 HD21 LEU 8 1HD2 LEU 8 -8.820 7.932 -0.075
62 HD22 LEU 8 2HD2 LEU 8 -8.258 8.924 1.271
63 HD23 LEU 8 3HD2 LEU 8 -8.685 7.233 1.538
64 H LEU 9 HN LEU 9 -5.092 11.202 -1.528
65 HA LEU 9 HA LEU 9 -7.121 13.218 -0.815
66 HB2 LEU 9 2HB LEU 9 -4.268 12.895 -0.029
67 HB3 LEU 9 3HB LEU 9 -4.921 14.525 -0.181
68 HG LEU 9 HG LEU 9 -6.543 14.093 1.542
69 HD11 LEU 9 1HD1 LEU 9 -7.184 11.859 1.201
70 HD12 LEU 9 2HD1 LEU 9 -6.398 11.879 2.780
71 HD13 LEU 9 3HD1 LEU 9 -5.530 11.270 1.370
72 HD21 LEU 9 1HD2 LEU 9 -4.193 14.715 2.156
73 HD22 LEU 9 2HD2 LEU 9 -3.897 13.008 2.488
74 HD23 LEU 9 3HD2 LEU 9 -5.101 13.893 3.425
75 H AIB 10 HN AIB 10 -6.228 12.037 -3.450
76 HB11 AIB 10 1HB1 AIB 10 -4.833 12.227 -6.301
77 HB12 AIB 10 2HB1 AIB 10 -6.410 11.724 -5.557
78 HB13 AIB 10 3HB1 AIB 10 -6.378 13.017 -6.830
79 HB21 AIB 10 1HB2 AIB 10 -3.916 14.324 -5.982
80 HB22 AIB 10 2HB2 AIB 10 -4.181 15.156 -4.393
81 HB23 AIB 10 3HB2 AIB 10 -3.544 13.458 -4.433
82 HA PRO 11 HA PRO 11 -8.739 16.120 -6.312
83 HB2 PRO 11 2HB PRO 11 -11.061 15.421 -5.090
84 HB3 PRO 11 3HB PRO 11 -10.459 14.614 -6.543
85 HG2 PRO 11 2HG PRO 11 -10.267 13.755 -3.682
86 HG3 PRO 11 3HG PRO 11 -10.655 12.788 -5.117
87 HD2 PRO 11 2HD PRO 11 -8.196 12.791 -3.984
88 HD3 PRO 11 3HD PRO 11 -8.443 12.578 -5.729
89 HN1 DCL 12 HN DCL 12 -8.121 15.213 -3.016
90 HA DCL 12 HA DCL 12 -9.504 17.528 -1.710
91 HC1 DCL 12 2HB1 DCL 12 -6.451 17.771 -1.627
92 HC2 DCL 12 3HB1 DCL 12 -7.345 18.442 -3.057
93 HB1 DCL 12 2HB DCL 12 -7.389 15.482 -0.836
94 HB2 DCL 12 3HB DCL 12 -7.855 16.876 0.227
95 HG DCL 12 HG DCL 12 -9.831 14.836 -0.955
96 HD11 DCL 12 1HD1 DCL 12 -11.183 16.663 -0.396
97 HD12 DCL 12 2HD1 DCL 12 -11.026 15.950 1.266
98 HD13 DCL 12 3HD1 DCL 12 -9.965 17.337 0.767
99 HD21 DCL 12 1HD2 DCL 12 -8.529 13.575 0.598
100 HD22 DCL 12 2HD2 DCL 12 -8.402 14.968 1.755
101 HD23 DCL 12 3HD2 DCL 12 -9.988 14.112 1.533
102 HXT DCL 12 4H1 DCL 12 -7.927 20.165 -1.687
Start of MODEL 4
1 H1 ACE 1 1H1 ACE 1 -0.844 0.006 -0.319
2 H2 ACE 1 2H1 ACE 1 0.894 -0.016 -0.703
3 H3 ACE 1 3H1 ACE 1 0.358 0.018 0.994
4 H AIB 2 HN AIB 2 2.219 1.756 0.048
5 HB11 AIB 2 1HB1 AIB 2 3.684 3.378 -0.301
6 HB12 AIB 2 2HB1 AIB 2 3.315 5.151 -0.423
7 HB13 AIB 2 3HB1 AIB 2 3.336 4.337 1.199
8 HB21 AIB 2 1HB2 AIB 2 -0.258 4.522 0.922
9 HB22 AIB 2 2HB2 AIB 2 1.017 3.943 2.076
10 HB23 AIB 2 3HB2 AIB 2 1.173 5.573 1.291
11 H ASN 3 HN ASN 3 0.823 2.685 -2.194
12 HA ASN 3 HA ASN 3 0.839 5.047 -3.838
13 HB2 ASN 3 2HB ASN 3 0.288 2.141 -4.280
14 HB3 ASN 3 3HB ASN 3 -0.276 3.303 -5.477
15 HD21 ASN 3 1HD2 ASN 3 1.779 1.211 -5.636
16 HD22 ASN 3 2HD2 ASN 3 3.225 2.016 -6.131
17 H ILE 4 HN ILE 4 -1.435 3.435 -1.860
18 HA ILE 4 HA ILE 4 -3.784 4.368 -3.244
19 HB ILE 4 HB ILE 4 -3.606 3.303 -0.426
20 HG12 ILE 4 2HG1 ILE 4 -2.627 1.682 -1.962
21 HG13 ILE 4 3HG1 ILE 4 -4.199 1.113 -1.411
22 HG21 ILE 4 1HG2 ILE 4 -5.830 3.876 -2.325
23 HG22 ILE 4 2HG2 ILE 4 -6.000 2.555 -1.171
24 HG23 ILE 4 3HG2 ILE 4 -5.716 4.197 -0.595
25 HD11 ILE 4 1HD1 ILE 4 -5.180 1.931 -3.528
26 HD12 ILE 4 2HD1 ILE 4 -3.557 2.349 -4.075
27 HD13 ILE 4 3HD1 ILE 4 -3.972 0.667 -3.750
28 H ILE 5 HN ILE 5 -1.716 5.496 -0.682
29 HA ILE 5 HA ILE 5 -3.474 7.378 0.477
30 HB ILE 5 HB ILE 5 -0.461 7.274 0.383
31 HG12 ILE 5 2HG1 ILE 5 -1.792 5.514 1.651
32 HG13 ILE 5 3HG1 ILE 5 -0.597 6.403 2.589
33 HG21 ILE 5 1HG2 ILE 5 -0.849 9.544 0.711
34 HG22 ILE 5 2HG2 ILE 5 -2.300 9.257 1.670
35 HG23 ILE 5 3HG2 ILE 5 -0.710 8.915 2.353
36 HD11 ILE 5 1HD1 ILE 5 -3.264 7.596 2.613
37 HD12 ILE 5 2HD1 ILE 5 -3.173 5.986 3.329
38 HD13 ILE 5 3HD1 ILE 5 -2.142 7.282 3.937
39 H AIB 6 HN AIB 6 -1.496 7.327 -2.400
40 HB11 AIB 6 1HB1 AIB 6 -0.027 9.349 -4.553
41 HB12 AIB 6 2HB1 AIB 6 -0.806 7.723 -4.343
42 HB13 AIB 6 3HB1 AIB 6 -1.576 8.968 -5.418
43 HB21 AIB 6 1HB2 AIB 6 -0.729 11.221 -3.545
44 HB22 AIB 6 2HB2 AIB 6 -1.778 11.137 -2.067
45 HB23 AIB 6 3HB2 AIB 6 -0.202 10.238 -2.115
46 HA PRO 7 HA PRO 7 -5.305 10.029 -5.497
47 HB2 PRO 7 2HB PRO 7 -6.795 7.759 -5.493
48 HB3 PRO 7 3HB PRO 7 -5.500 8.056 -6.659
49 HG2 PRO 7 2HG PRO 7 -5.452 6.422 -4.152
50 HG3 PRO 7 3HG PRO 7 -4.768 6.047 -5.745
51 HD2 PRO 7 2HD PRO 7 -3.262 6.968 -3.692
52 HD3 PRO 7 3HD PRO 7 -2.900 7.349 -5.388
53 H LEU 8 HN LEU 8 -5.033 8.615 -2.380
54 HA LEU 8 HA LEU 8 -7.672 8.706 -1.470
55 HB2 LEU 8 2HB LEU 8 -5.080 8.327 -0.359
56 HB3 LEU 8 3HB LEU 8 -5.950 9.484 0.647
57 HG LEU 8 HG LEU 8 -6.783 6.663 -0.015
58 HD11 LEU 8 1HD1 LEU 8 -5.038 6.834 1.675
59 HD12 LEU 8 2HD1 LEU 8 -6.564 6.323 2.394
60 HD13 LEU 8 3HD1 LEU 8 -6.015 7.988 2.583
61 HD21 LEU 8 1HD2 LEU 8 -8.802 7.843 0.033
62 HD22 LEU 8 2HD2 LEU 8 -8.255 8.909 1.328
63 HD23 LEU 8 3HD2 LEU 8 -8.623 7.218 1.672
64 H LEU 9 HN LEU 9 -5.168 11.211 -1.503
65 HA LEU 9 HA LEU 9 -7.247 13.184 -0.815
66 HB2 LEU 9 2HB LEU 9 -4.324 13.691 -0.434
67 HB3 LEU 9 3HB LEU 9 -5.699 14.461 0.354
68 HG LEU 9 HG LEU 9 -4.692 11.666 0.884
69 HD11 LEU 9 1HD1 LEU 9 -3.294 13.619 1.690
70 HD12 LEU 9 2HD1 LEU 9 -3.833 12.476 2.919
71 HD13 LEU 9 3HD1 LEU 9 -4.651 14.028 2.740
72 HD21 LEU 9 1HD2 LEU 9 -7.170 12.022 1.113
73 HD22 LEU 9 2HD2 LEU 9 -6.811 13.204 2.372
74 HD23 LEU 9 3HD2 LEU 9 -6.341 11.516 2.585
75 H AIB 10 HN AIB 10 -6.337 11.984 -3.434
76 HB11 AIB 10 1HB1 AIB 10 -6.622 11.685 -5.572
77 HB12 AIB 10 2HB1 AIB 10 -6.429 12.936 -6.872
78 HB13 AIB 10 3HB1 AIB 10 -4.971 12.080 -6.212
79 HB21 AIB 10 1HB2 AIB 10 -3.697 13.463 -4.434
80 HB22 AIB 10 2HB2 AIB 10 -4.085 14.263 -6.016
81 HB23 AIB 10 3HB2 AIB 10 -4.375 15.145 -4.456
82 HA PRO 11 HA PRO 11 -8.960 15.963 -6.343
83 HB2 PRO 11 2HB PRO 11 -11.257 15.234 -5.093
84 HB3 PRO 11 3HB PRO 11 -10.647 14.416 -6.536
85 HG2 PRO 11 2HG PRO 11 -10.415 13.610 -3.662
86 HG3 PRO 11 3HG PRO 11 -10.792 12.610 -5.077
87 HD2 PRO 11 2HD PRO 11 -8.325 12.688 -3.963
88 HD3 PRO 11 3HD PRO 11 -8.580 12.440 -5.702
89 HN1 DCL 12 HN DCL 12 -8.123 15.207 -3.097
90 HA DCL 12 HA DCL 12 -9.629 17.396 -1.722
91 HC1 DCL 12 2HB1 DCL 12 -6.611 17.940 -2.047
92 HC2 DCL 12 3HB1 DCL 12 -7.817 18.601 -3.231
93 HB1 DCL 12 2HB DCL 12 -7.264 15.583 -1.014
94 HB2 DCL 12 3HB DCL 12 -7.703 16.985 0.050
95 HG DCL 12 HG DCL 12 -9.658 14.778 -0.825
96 HD11 DCL 12 1HD1 DCL 12 -9.727 17.256 0.980
97 HD12 DCL 12 2HD1 DCL 12 -10.967 16.661 -0.205
98 HD13 DCL 12 3HD1 DCL 12 -10.766 15.827 1.396
99 HD21 DCL 12 1HD2 DCL 12 -8.708 13.452 0.735
100 HD22 DCL 12 2HD2 DCL 12 -7.567 14.771 1.237
101 HD23 DCL 12 3HD2 DCL 12 -9.216 14.661 1.989
102 HXT DCL 12 4H1 DCL 12 -8.275 20.173 -1.651
Start of MODEL 5
1 H1 ACE 1 1H1 ACE 1 -0.445 -0.016 0.766
2 H2 ACE 1 2H1 ACE 1 -0.325 -0.016 -1.010
3 H3 ACE 1 3H1 ACE 1 1.153 -0.028 -0.018
4 H AIB 2 HN AIB 2 2.206 1.734 0.053
5 HB11 AIB 2 1HB1 AIB 2 3.282 4.341 1.273
6 HB12 AIB 2 2HB1 AIB 2 3.676 3.343 -0.190
7 HB13 AIB 2 3HB1 AIB 2 3.318 5.114 -0.368
8 HB21 AIB 2 1HB2 AIB 2 -0.295 4.480 0.916
9 HB22 AIB 2 2HB2 AIB 2 0.953 3.883 2.089
10 HB23 AIB 2 3HB2 AIB 2 1.125 5.527 1.338
11 H ASN 3 HN ASN 3 0.865 2.701 -2.206
12 HA ASN 3 HA ASN 3 0.917 5.093 -3.806
13 HB2 ASN 3 2HB ASN 3 0.754 2.222 -4.267
14 HB3 ASN 3 3HB ASN 3 -0.347 3.122 -5.306
15 HD21 ASN 3 1HD2 ASN 3 1.029 2.325 -7.021
16 HD22 ASN 3 2HD2 ASN 3 2.481 3.180 -7.406
17 H ILE 4 HN ILE 4 -1.403 3.443 -1.914
18 HA ILE 4 HA ILE 4 -3.718 4.397 -3.338
19 HB ILE 4 HB ILE 4 -3.553 3.233 -0.556
20 HG12 ILE 4 2HG1 ILE 4 -4.205 1.865 -3.175
21 HG13 ILE 4 3HG1 ILE 4 -2.674 1.718 -2.318
22 HG21 ILE 4 1HG2 ILE 4 -5.891 3.575 -2.429
23 HG22 ILE 4 2HG2 ILE 4 -5.936 2.756 -0.869
24 HG23 ILE 4 3HG2 ILE 4 -5.602 4.485 -0.946
25 HD11 ILE 4 1HD1 ILE 4 -3.823 0.690 -0.435
26 HD12 ILE 4 2HD1 ILE 4 -5.363 0.854 -1.279
27 HD13 ILE 4 3HD1 ILE 4 -4.109 -0.203 -1.928
28 H ILE 5 HN ILE 5 -1.715 5.482 -0.707
29 HA ILE 5 HA ILE 5 -3.504 7.342 0.443
30 HB ILE 5 HB ILE 5 -0.490 7.242 0.421
31 HG12 ILE 5 2HG1 ILE 5 -1.848 5.458 1.623
32 HG13 ILE 5 3HG1 ILE 5 -0.678 6.331 2.607
33 HG21 ILE 5 1HG2 ILE 5 -0.751 9.470 0.856
34 HG22 ILE 5 2HG2 ILE 5 -2.358 9.259 1.548
35 HG23 ILE 5 3HG2 ILE 5 -0.930 8.823 2.487
36 HD11 ILE 5 1HD1 ILE 5 -3.585 7.069 2.487
37 HD12 ILE 5 2HD1 ILE 5 -2.920 5.929 3.658
38 HD13 ILE 5 3HD1 ILE 5 -2.370 7.605 3.648
39 H AIB 6 HN AIB 6 -1.456 7.344 -2.386
40 HB11 AIB 6 1HB1 AIB 6 -0.898 7.752 -4.418
41 HB12 AIB 6 2HB1 AIB 6 -1.357 9.221 -5.380
42 HB13 AIB 6 3HB1 AIB 6 0.134 9.242 -4.344
43 HB21 AIB 6 1HB2 AIB 6 -1.758 11.159 -2.009
44 HB22 AIB 6 2HB2 AIB 6 -0.188 10.250 -1.999
45 HB23 AIB 6 3HB2 AIB 6 -0.650 11.249 -3.442
46 HA PRO 7 HA PRO 7 -5.191 10.097 -5.526
47 HB2 PRO 7 2HB PRO 7 -6.678 7.826 -5.599
48 HB3 PRO 7 3HB PRO 7 -5.356 8.146 -6.727
49 HG2 PRO 7 2HG PRO 7 -5.367 6.466 -4.249
50 HG3 PRO 7 3HG PRO 7 -4.644 6.121 -5.831
51 HD2 PRO 7 2HD PRO 7 -3.189 7.007 -3.726
52 HD3 PRO 7 3HD PRO 7 -2.787 7.418 -5.406
53 H LEU 8 HN LEU 8 -4.994 8.628 -2.428
54 HA LEU 8 HA LEU 8 -7.654 8.700 -1.582
55 HB2 LEU 8 2HB LEU 8 -5.090 8.304 -0.415
56 HB3 LEU 8 3HB LEU 8 -5.986 9.442 0.590
57 HG LEU 8 HG LEU 8 -6.799 6.632 -0.143
58 HD11 LEU 8 1HD1 LEU 8 -5.468 6.228 1.621
59 HD12 LEU 8 2HD1 LEU 8 -6.847 6.807 2.554
60 HD13 LEU 8 3HD1 LEU 8 -5.516 7.901 2.177
61 HD21 LEU 8 1HD2 LEU 8 -8.672 7.171 1.528
62 HD22 LEU 8 2HD2 LEU 8 -8.827 7.783 -0.119
63 HD23 LEU 8 3HD2 LEU 8 -8.309 8.861 1.179
64 H LEU 9 HN LEU 9 -5.154 11.208 -1.508
65 HA LEU 9 HA LEU 9 -7.251 13.166 -0.837
66 HB2 LEU 9 2HB LEU 9 -4.340 13.668 -0.375
67 HB3 LEU 9 3HB LEU 9 -5.735 14.423 0.393
68 HG LEU 9 HG LEU 9 -4.748 11.615 0.894
69 HD11 LEU 9 1HD1 LEU 9 -4.762 13.830 2.898
70 HD12 LEU 9 2HD1 LEU 9 -3.430 13.684 1.752
71 HD13 LEU 9 3HD1 LEU 9 -3.791 12.357 2.856
72 HD21 LEU 9 1HD2 LEU 9 -7.223 11.972 1.089
73 HD22 LEU 9 2HD2 LEU 9 -6.887 13.151 2.358
74 HD23 LEU 9 3HD2 LEU 9 -6.425 11.462 2.577
75 H AIB 10 HN AIB 10 -6.276 12.015 -3.454
76 HB11 AIB 10 1HB1 AIB 10 -6.276 13.030 -6.879
77 HB12 AIB 10 2HB1 AIB 10 -4.843 12.155 -6.190
78 HB13 AIB 10 3HB1 AIB 10 -6.516 11.759 -5.607
79 HB21 AIB 10 1HB2 AIB 10 -3.967 14.349 -5.938
80 HB22 AIB 10 2HB2 AIB 10 -4.290 15.190 -4.364
81 HB23 AIB 10 3HB2 AIB 10 -3.612 13.507 -4.372
82 HA PRO 11 HA PRO 11 -8.831 16.043 -6.355
83 HB2 PRO 11 2HB PRO 11 -11.157 15.290 -5.175
84 HB3 PRO 11 3HB PRO 11 -10.511 14.498 -6.617
85 HG2 PRO 11 2HG PRO 11 -10.349 13.641 -3.753
86 HG3 PRO 11 3HG PRO 11 -10.689 12.667 -5.195
87 HD2 PRO 11 2HD PRO 11 -8.251 12.726 -4.019
88 HD3 PRO 11 3HD PRO 11 -8.462 12.509 -5.768
89 HN1 DCL 12 HN DCL 12 -8.068 15.233 -3.105
90 HA DCL 12 HA DCL 12 -9.611 17.396 -1.729
91 HC1 DCL 12 2HB1 DCL 12 -6.663 18.063 -1.647
92 HC2 DCL 12 3HB1 DCL 12 -7.492 18.407 -3.224
93 HB1 DCL 12 2HB DCL 12 -7.266 15.568 -0.993
94 HB2 DCL 12 3HB DCL 12 -7.731 16.952 0.085
95 HG DCL 12 HG DCL 12 -9.664 14.762 -0.880
96 HD11 DCL 12 1HD1 DCL 12 -9.781 17.217 0.950
97 HD12 DCL 12 2HD1 DCL 12 -10.998 16.620 -0.257
98 HD13 DCL 12 3HD1 DCL 12 -10.817 15.779 1.342
99 HD21 DCL 12 1HD2 DCL 12 -7.669 14.790 1.318
100 HD22 DCL 12 2HD2 DCL 12 -9.364 14.511 1.903
101 HD23 DCL 12 3HD2 DCL 12 -8.648 13.422 0.639
102 HXT DCL 12 4H1 DCL 12 -8.429 20.191 -2.165
Start of MODEL 6
1 H1 ACE 1 1H1 ACE 1 0.971 0.046 0.491
2 H2 ACE 1 2H1 ACE 1 -0.807 0.059 0.398
3 H3 ACE 1 3H1 ACE 1 0.162 0.009 -1.095
4 H AIB 2 HN AIB 2 2.192 1.792 -0.042
5 HB11 AIB 2 1HB1 AIB 2 3.506 3.676 0.815
6 HB12 AIB 2 2HB1 AIB 2 3.563 3.964 -0.976
7 HB13 AIB 2 3HB1 AIB 2 3.193 5.336 0.154
8 HB21 AIB 2 1HB2 AIB 2 0.109 3.842 1.481
9 HB22 AIB 2 2HB2 AIB 2 1.567 4.861 1.835
10 HB23 AIB 2 3HB2 AIB 2 0.286 5.471 0.703
11 H ASN 3 HN ASN 3 0.798 2.706 -2.296
12 HA ASN 3 HA ASN 3 0.716 5.080 -3.925
13 HB2 ASN 3 2HB ASN 3 0.208 2.161 -4.400
14 HB3 ASN 3 3HB ASN 3 -0.307 3.347 -5.596
15 HD21 ASN 3 1HD2 ASN 3 2.555 2.884 -3.543
16 HD22 ASN 3 2HD2 ASN 3 3.705 3.049 -4.822
17 H ILE 4 HN ILE 4 -1.473 3.373 -1.933
18 HA ILE 4 HA ILE 4 -3.871 4.217 -3.286
19 HB ILE 4 HB ILE 4 -3.606 3.147 -0.476
20 HG12 ILE 4 2HG1 ILE 4 -2.617 1.570 -2.053
21 HG13 ILE 4 3HG1 ILE 4 -4.155 0.949 -1.463
22 HG21 ILE 4 1HG2 ILE 4 -5.830 4.035 -2.090
23 HG22 ILE 4 2HG2 ILE 4 -6.019 2.351 -1.606
24 HG23 ILE 4 3HG2 ILE 4 -5.782 3.598 -0.382
25 HD11 ILE 4 1HD1 ILE 4 -4.118 0.497 -3.762
26 HD12 ILE 4 2HD1 ILE 4 -5.177 1.895 -3.578
27 HD13 ILE 4 3HD1 ILE 4 -3.525 2.110 -4.154
28 H ILE 5 HN ILE 5 -1.838 5.403 -0.714
29 HA ILE 5 HA ILE 5 -3.676 7.246 0.407
30 HB ILE 5 HB ILE 5 -0.658 7.210 0.429
31 HG12 ILE 5 2HG1 ILE 5 -2.730 6.439 2.495
32 HG13 ILE 5 3HG1 ILE 5 -1.698 5.334 1.595
33 HG21 ILE 5 1HG2 ILE 5 -1.385 9.486 0.739
34 HG22 ILE 5 2HG2 ILE 5 -2.567 8.982 1.946
35 HG23 ILE 5 3HG2 ILE 5 -0.843 8.836 2.286
36 HD11 ILE 5 1HD1 ILE 5 -0.605 5.459 3.601
37 HD12 ILE 5 2HD1 ILE 5 0.229 6.712 2.681
38 HD13 ILE 5 3HD1 ILE 5 -1.019 7.156 3.846
39 H AIB 6 HN AIB 6 -1.625 7.215 -2.409
40 HB11 AIB 6 1HB1 AIB 6 -1.557 9.050 -5.430
41 HB12 AIB 6 2HB1 AIB 6 -0.047 9.062 -4.425
42 HB13 AIB 6 3HB1 AIB 6 -1.104 7.587 -4.459
43 HB21 AIB 6 1HB2 AIB 6 -0.775 11.090 -3.524
44 HB22 AIB 6 2HB2 AIB 6 -1.853 11.030 -2.066
45 HB23 AIB 6 3HB2 AIB 6 -0.300 10.091 -2.086
46 HA PRO 7 HA PRO 7 -5.373 10.005 -5.518
47 HB2 PRO 7 2HB PRO 7 -6.911 7.769 -5.530
48 HB3 PRO 7 3HB PRO 7 -5.603 8.041 -6.687
49 HG2 PRO 7 2HG PRO 7 -5.606 6.399 -4.184
50 HG3 PRO 7 3HG PRO 7 -4.921 6.014 -5.774
51 HD2 PRO 7 2HD PRO 7 -3.407 6.897 -3.709
52 HD3 PRO 7 3HD PRO 7 -3.027 7.275 -5.402
53 H LEU 8 HN LEU 8 -5.151 8.577 -2.404
54 HA LEU 8 HA LEU 8 -7.793 8.723 -1.510
55 HB2 LEU 8 2HB LEU 8 -5.217 8.284 -0.384
56 HB3 LEU 8 3HB LEU 8 -6.067 9.458 0.619
57 HG LEU 8 HG LEU 8 -6.960 6.657 -0.054
58 HD11 LEU 8 1HD1 LEU 8 -6.947 6.776 2.606
59 HD12 LEU 8 2HD1 LEU 8 -5.684 7.961 2.277
60 HD13 LEU 8 3HD1 LEU 8 -5.527 6.314 1.667
61 HD21 LEU 8 1HD2 LEU 8 -8.686 7.488 1.832
62 HD22 LEU 8 2HD2 LEU 8 -9.017 7.575 0.102
63 HD23 LEU 8 3HD2 LEU 8 -8.435 9.001 0.962
64 H LEU 9 HN LEU 9 -5.235 11.173 -1.518
65 HA LEU 9 HA LEU 9 -7.275 13.189 -0.840
66 HB2 LEU 9 2HB LEU 9 -4.316 13.205 -0.271
67 HB3 LEU 9 3HB LEU 9 -5.403 14.559 0.030
68 HG LEU 9 HG LEU 9 -6.538 12.390 1.380
69 HD11 LEU 9 1HD1 LEU 9 -3.760 12.531 2.390
70 HD12 LEU 9 2HD1 LEU 9 -4.048 11.543 0.959
71 HD13 LEU 9 3HD1 LEU 9 -4.927 11.210 2.452
72 HD21 LEU 9 1HD2 LEU 9 -4.772 14.402 2.714
73 HD22 LEU 9 2HD2 LEU 9 -6.323 13.749 3.242
74 HD23 LEU 9 3HD2 LEU 9 -6.260 14.910 1.915
75 H AIB 10 HN AIB 10 -6.371 11.977 -3.456
76 HB11 AIB 10 1HB1 AIB 10 -6.630 11.678 -5.585
77 HB12 AIB 10 2HB1 AIB 10 -6.453 12.937 -6.880
78 HB13 AIB 10 3HB1 AIB 10 -4.988 12.070 -6.249
79 HB21 AIB 10 1HB2 AIB 10 -3.689 13.381 -4.455
80 HB22 AIB 10 2HB2 AIB 10 -4.059 14.228 -6.016
81 HB23 AIB 10 3HB2 AIB 10 -4.323 15.081 -4.436
82 HA PRO 11 HA PRO 11 -8.880 16.033 -6.364
83 HB2 PRO 11 2HB PRO 11 -11.201 15.360 -5.126
84 HB3 PRO 11 3HB PRO 11 -10.606 14.530 -6.569
85 HG2 PRO 11 2HG PRO 11 -10.408 13.711 -3.697
86 HG3 PRO 11 3HG PRO 11 -10.804 12.725 -5.117
87 HD2 PRO 11 2HD PRO 11 -8.342 12.735 -3.990
88 HD3 PRO 11 3HD PRO 11 -8.594 12.499 -5.732
89 HN1 DCL 12 HN DCL 12 -8.093 15.239 -3.110
90 HA DCL 12 HA DCL 12 -9.531 17.509 -1.773
91 HC1 DCL 12 2HB1 DCL 12 -6.475 17.792 -2.223
92 HC2 DCL 12 3HB1 DCL 12 -7.740 18.750 -3.102
93 HB1 DCL 12 2HB DCL 12 -7.315 15.547 -0.977
94 HB2 DCL 12 3HB DCL 12 -7.728 16.964 0.079
95 HG DCL 12 HG DCL 12 -9.752 14.870 -0.911
96 HD11 DCL 12 1HD1 DCL 12 -10.489 16.245 1.541
97 HD12 DCL 12 2HD1 DCL 12 -9.926 17.505 0.363
98 HD13 DCL 12 3HD1 DCL 12 -11.274 16.376 -0.090
99 HD21 DCL 12 1HD2 DCL 12 -9.526 13.672 1.072
100 HD22 DCL 12 2HD2 DCL 12 -7.808 14.191 0.805
101 HD23 DCL 12 3HD2 DCL 12 -8.856 15.089 1.984
102 HXT DCL 12 4H1 DCL 12 -7.790 20.083 -1.257
Start of MODEL 7
1 H1 ACE 1 1H1 ACE 1 0.928 -0.047 0.644
2 H2 ACE 1 2H1 ACE 1 -0.841 -0.029 0.446
3 H3 ACE 1 3H1 ACE 1 0.215 -0.065 -0.987
4 H AIB 2 HN AIB 2 2.188 1.701 0.113
5 HB11 AIB 2 1HB1 AIB 2 3.538 3.377 0.832
6 HB12 AIB 2 2HB1 AIB 2 3.540 4.167 -0.801
7 HB13 AIB 2 3HB1 AIB 2 3.177 5.148 0.682
8 HB21 AIB 2 1HB2 AIB 2 0.970 3.887 2.131
9 HB22 AIB 2 2HB2 AIB 2 1.142 5.517 1.354
10 HB23 AIB 2 3HB2 AIB 2 -0.291 4.472 0.966
11 H ASN 3 HN ASN 3 0.816 2.635 -2.141
12 HA ASN 3 HA ASN 3 0.852 4.999 -3.782
13 HB2 ASN 3 2HB ASN 3 0.246 2.100 -4.246
14 HB3 ASN 3 3HB ASN 3 -0.215 3.292 -5.458
15 HD21 ASN 3 1HD2 ASN 3 1.190 2.903 -7.047
16 HD22 ASN 3 2HD2 ASN 3 2.909 2.959 -6.885
17 H ILE 4 HN ILE 4 -1.444 3.390 -1.827
18 HA ILE 4 HA ILE 4 -3.777 4.329 -3.232
19 HB ILE 4 HB ILE 4 -3.626 3.260 -0.414
20 HG12 ILE 4 2HG1 ILE 4 -2.642 1.641 -1.952
21 HG13 ILE 4 3HG1 ILE 4 -4.217 1.075 -1.405
22 HG21 ILE 4 1HG2 ILE 4 -5.771 4.193 -2.118
23 HG22 ILE 4 2HG2 ILE 4 -6.028 2.531 -1.589
24 HG23 ILE 4 3HG2 ILE 4 -5.784 3.808 -0.397
25 HD11 ILE 4 1HD1 ILE 4 -4.798 0.799 -3.516
26 HD12 ILE 4 2HD1 ILE 4 -4.665 2.541 -3.758
27 HD13 ILE 4 3HD1 ILE 4 -3.274 1.500 -4.060
28 H ILE 5 HN ILE 5 -1.731 5.451 -0.651
29 HA ILE 5 HA ILE 5 -3.495 7.337 0.494
30 HB ILE 5 HB ILE 5 -0.483 7.226 0.428
31 HG12 ILE 5 2HG1 ILE 5 -1.828 5.468 1.681
32 HG13 ILE 5 3HG1 ILE 5 -0.640 6.353 2.631
33 HG21 ILE 5 1HG2 ILE 5 -2.328 9.266 1.558
34 HG22 ILE 5 2HG2 ILE 5 -0.879 8.844 2.469
35 HG23 ILE 5 3HG2 ILE 5 -0.737 9.464 0.824
36 HD11 ILE 5 1HD1 ILE 5 -3.432 7.361 2.567
37 HD12 ILE 5 2HD1 ILE 5 -3.067 5.926 3.525
38 HD13 ILE 5 3HD1 ILE 5 -2.226 7.441 3.851
39 H AIB 6 HN AIB 6 -1.492 7.283 -2.366
40 HB11 AIB 6 1HB1 AIB 6 -0.817 7.671 -4.321
41 HB12 AIB 6 2HB1 AIB 6 -1.521 8.960 -5.386
42 HB13 AIB 6 3HB1 AIB 6 0.019 9.274 -4.479
43 HB21 AIB 6 1HB2 AIB 6 -1.776 11.107 -2.053
44 HB22 AIB 6 2HB2 AIB 6 -0.210 10.191 -2.045
45 HB23 AIB 6 3HB2 AIB 6 -0.686 11.164 -3.501
46 HA PRO 7 HA PRO 7 -5.265 9.995 -5.495
47 HB2 PRO 7 2HB PRO 7 -6.760 7.729 -5.507
48 HB3 PRO 7 3HB PRO 7 -5.454 8.024 -6.661
49 HG2 PRO 7 2HG PRO 7 -5.433 6.387 -4.154
50 HG3 PRO 7 3HG PRO 7 -4.735 6.013 -5.741
51 HD2 PRO 7 2HD PRO 7 -3.246 6.929 -3.674
52 HD3 PRO 7 3HD PRO 7 -2.868 7.311 -5.366
53 H LEU 8 HN LEU 8 -5.026 8.577 -2.377
54 HA LEU 8 HA LEU 8 -7.672 8.673 -1.491
55 HB2 LEU 8 2HB LEU 8 -5.092 8.290 -0.357
56 HB3 LEU 8 3HB LEU 8 -5.968 9.449 0.641
57 HG LEU 8 HG LEU 8 -6.802 6.629 -0.027
58 HD11 LEU 8 1HD1 LEU 8 -6.806 6.919 2.686
59 HD12 LEU 8 2HD1 LEU 8 -5.426 7.909 2.211
60 HD13 LEU 8 3HD1 LEU 8 -5.497 6.211 1.739
61 HD21 LEU 8 1HD2 LEU 8 -8.619 7.262 1.723
62 HD22 LEU 8 2HD2 LEU 8 -8.842 7.704 0.030
63 HD23 LEU 8 3HD2 LEU 8 -8.293 8.912 1.193
64 H LEU 9 HN LEU 9 -5.164 11.174 -1.496
65 HA LEU 9 HA LEU 9 -7.246 13.150 -0.831
66 HB2 LEU 9 2HB LEU 9 -4.290 13.229 -0.252
67 HB3 LEU 9 3HB LEU 9 -5.407 14.560 0.045
68 HG LEU 9 HG LEU 9 -6.500 12.368 1.393
69 HD11 LEU 9 1HD1 LEU 9 -4.880 11.167 2.382
70 HD12 LEU 9 2HD1 LEU 9 -3.783 12.543 2.498
71 HD13 LEU 9 3HD1 LEU 9 -3.925 11.654 0.981
72 HD21 LEU 9 1HD2 LEU 9 -6.273 14.895 1.926
73 HD22 LEU 9 2HD2 LEU 9 -4.779 14.416 2.733
74 HD23 LEU 9 3HD2 LEU 9 -6.321 13.734 3.253
75 H AIB 10 HN AIB 10 -6.308 11.951 -3.440
76 HB11 AIB 10 1HB1 AIB 10 -6.363 12.911 -6.880
77 HB12 AIB 10 2HB1 AIB 10 -4.921 12.040 -6.204
78 HB13 AIB 10 3HB1 AIB 10 -6.585 11.661 -5.584
79 HB21 AIB 10 1HB2 AIB 10 -4.321 15.104 -4.445
80 HB22 AIB 10 2HB2 AIB 10 -3.654 13.417 -4.411
81 HB23 AIB 10 3HB2 AIB 10 -4.022 14.217 -5.998
82 HA PRO 11 HA PRO 11 -8.883 15.952 -6.367
83 HB2 PRO 11 2HB PRO 11 -11.195 15.238 -5.136
84 HB3 PRO 11 3HB PRO 11 -10.579 14.417 -6.575
85 HG2 PRO 11 2HG PRO 11 -10.377 13.608 -3.700
86 HG3 PRO 11 3HG PRO 11 -10.748 12.612 -5.119
87 HD2 PRO 11 2HD PRO 11 -8.291 12.671 -3.983
88 HD3 PRO 11 3HD PRO 11 -8.532 12.426 -5.725
89 HN1 DCL 12 HN DCL 12 -8.089 15.183 -3.110
90 HA DCL 12 HA DCL 12 -9.576 17.429 -1.783
91 HC1 DCL 12 2HB1 DCL 12 -6.518 17.779 -2.138
92 HC2 DCL 12 3HB1 DCL 12 -7.751 18.646 -3.149
93 HB1 DCL 12 2HB DCL 12 -7.326 15.510 -0.974
94 HB2 DCL 12 3HB DCL 12 -7.769 16.922 0.077
95 HG DCL 12 HG DCL 12 -9.751 14.788 -0.915
96 HD11 DCL 12 1HD1 DCL 12 -9.975 17.422 0.359
97 HD12 DCL 12 2HD1 DCL 12 -11.301 16.273 -0.107
98 HD13 DCL 12 3HD1 DCL 12 -10.526 16.150 1.531
99 HD21 DCL 12 1HD2 DCL 12 -9.511 13.600 1.072
100 HD22 DCL 12 2HD2 DCL 12 -7.801 14.148 0.809
101 HD23 DCL 12 3HD2 DCL 12 -8.868 15.031 1.983
102 HXT DCL 12 4H1 DCL 12 -7.960 20.077 -1.392
Start of MODEL 8
1 H1 ACE 1 1H1 ACE 1 0.627 0.381 -0.872
2 H2 ACE 1 2H1 ACE 1 1.592 0.689 0.592
3 H3 ACE 1 3H1 ACE 1 -0.162 0.417 0.723
4 H AIB 2 HN AIB 2 2.445 2.560 -0.092
5 HB11 AIB 2 1HB1 AIB 2 3.437 4.792 -1.169
6 HB12 AIB 2 2HB1 AIB 2 2.841 6.231 -0.239
7 HB13 AIB 2 3HB1 AIB 2 3.417 4.754 0.645
8 HB21 AIB 2 1HB2 AIB 2 -0.415 5.197 0.575
9 HB22 AIB 2 2HB2 AIB 2 0.777 4.530 1.769
10 HB23 AIB 2 3HB2 AIB 2 1.022 6.186 1.069
11 H ASN 3 HN ASN 3 0.795 3.032 -2.297
12 HA ASN 3 HA ASN 3 0.359 5.199 -4.141
13 HB2 ASN 3 2HB ASN 3 0.688 2.325 -4.288
14 HB3 ASN 3 3HB ASN 3 -0.674 2.854 -5.273
15 HD21 ASN 3 1HD2 ASN 3 2.678 2.574 -5.054
16 HD22 ASN 3 2HD2 ASN 3 3.094 3.452 -6.483
17 H ILE 4 HN ILE 4 -1.527 3.484 -1.877
18 HA ILE 4 HA ILE 4 -4.050 4.042 -3.216
19 HB ILE 4 HB ILE 4 -3.540 2.796 -0.512
20 HG12 ILE 4 2HG1 ILE 4 -4.378 1.414 -3.061
21 HG13 ILE 4 3HG1 ILE 4 -2.696 1.548 -2.562
22 HG21 ILE 4 1HG2 ILE 4 -6.002 1.956 -1.367
23 HG22 ILE 4 2HG2 ILE 4 -5.708 3.247 -0.203
24 HG23 ILE 4 3HG2 ILE 4 -5.964 3.635 -1.903
25 HD11 ILE 4 1HD1 ILE 4 -4.870 0.236 -0.949
26 HD12 ILE 4 2HD1 ILE 4 -3.708 -0.609 -1.972
27 HD13 ILE 4 3HD1 ILE 4 -3.151 0.289 -0.560
28 H ILE 5 HN ILE 5 -2.018 5.367 -0.751
29 HA ILE 5 HA ILE 5 -4.083 7.012 0.419
30 HB ILE 5 HB ILE 5 -1.086 7.064 0.786
31 HG12 ILE 5 2HG1 ILE 5 -3.305 5.950 2.515
32 HG13 ILE 5 3HG1 ILE 5 -2.134 5.006 1.600
33 HG21 ILE 5 1HG2 ILE 5 -1.554 8.457 2.760
34 HG22 ILE 5 2HG2 ILE 5 -2.028 9.244 1.256
35 HG23 ILE 5 3HG2 ILE 5 -3.254 8.518 2.295
36 HD11 ILE 5 1HD1 ILE 5 -0.571 6.659 3.161
37 HD12 ILE 5 2HD1 ILE 5 -1.909 6.207 4.219
38 HD13 ILE 5 3HD1 ILE 5 -0.926 4.957 3.456
39 H AIB 6 HN AIB 6 -1.722 7.171 -2.136
40 HB11 AIB 6 1HB1 AIB 6 -0.895 7.673 -4.014
41 HB12 AIB 6 2HB1 AIB 6 -1.422 9.086 -5.023
42 HB13 AIB 6 3HB1 AIB 6 0.016 9.239 -3.925
43 HB21 AIB 6 1HB2 AIB 6 -0.462 10.004 -1.476
44 HB22 AIB 6 2HB2 AIB 6 -0.751 11.090 -2.900
45 HB23 AIB 6 3HB2 AIB 6 -1.997 10.963 -1.586
46 HA PRO 7 HA PRO 7 -5.137 10.181 -5.429
47 HB2 PRO 7 2HB PRO 7 -6.673 7.964 -5.736
48 HB3 PRO 7 3HB PRO 7 -5.253 8.295 -6.735
49 HG2 PRO 7 2HG PRO 7 -5.517 6.502 -4.352
50 HG3 PRO 7 3HG PRO 7 -4.673 6.209 -5.884
51 HD2 PRO 7 2HD PRO 7 -3.377 6.949 -3.625
52 HD3 PRO 7 3HD PRO 7 -2.824 7.427 -5.244
53 H LEU 8 HN LEU 8 -5.239 8.565 -2.402
54 HA LEU 8 HA LEU 8 -7.957 8.679 -1.774
55 HB2 LEU 8 2HB LEU 8 -5.511 8.151 -0.421
56 HB3 LEU 8 3HB LEU 8 -6.456 9.269 0.560
57 HG LEU 8 HG LEU 8 -7.282 6.522 -0.371
58 HD11 LEU 8 1HD1 LEU 8 -6.479 7.701 2.266
59 HD12 LEU 8 2HD1 LEU 8 -5.863 6.258 1.461
60 HD13 LEU 8 3HD1 LEU 8 -7.478 6.250 2.168
61 HD21 LEU 8 1HD2 LEU 8 -9.225 7.155 1.298
62 HD22 LEU 8 2HD2 LEU 8 -9.315 7.563 -0.416
63 HD23 LEU 8 3HD2 LEU 8 -8.839 8.790 0.760
64 H LEU 9 HN LEU 9 -5.407 11.104 -1.374
65 HA LEU 9 HA LEU 9 -7.501 13.092 -0.783
66 HB2 LEU 9 2HB LEU 9 -5.715 14.390 0.349
67 HB3 LEU 9 3HB LEU 9 -6.094 12.854 1.125
68 HG LEU 9 HG LEU 9 -3.979 12.254 -0.569
69 HD11 LEU 9 1HD1 LEU 9 -3.238 14.376 -1.051
70 HD12 LEU 9 2HD1 LEU 9 -2.314 14.010 0.406
71 HD13 LEU 9 3HD1 LEU 9 -3.750 15.027 0.506
72 HD21 LEU 9 1HD2 LEU 9 -4.442 12.570 2.330
73 HD22 LEU 9 2HD2 LEU 9 -2.758 12.535 1.805
74 HD23 LEU 9 3HD2 LEU 9 -3.831 11.189 1.419
75 H AIB 10 HN AIB 10 -6.340 12.033 -3.364
76 HB11 AIB 10 1HB1 AIB 10 -6.402 11.880 -5.535
77 HB12 AIB 10 2HB1 AIB 10 -6.039 13.204 -6.721
78 HB13 AIB 10 3HB1 AIB 10 -4.683 12.261 -5.969
79 HB21 AIB 10 1HB2 AIB 10 -3.786 14.445 -5.533
80 HB22 AIB 10 2HB2 AIB 10 -4.194 15.160 -3.917
81 HB23 AIB 10 3HB2 AIB 10 -3.561 13.463 -4.025
82 HA PRO 11 HA PRO 11 -8.535 16.273 -6.261
83 HB2 PRO 11 2HB PRO 11 -10.970 15.541 -5.311
84 HB3 PRO 11 3HB PRO 11 -10.231 14.796 -6.733
85 HG2 PRO 11 2HG PRO 11 -10.329 13.804 -3.910
86 HG3 PRO 11 3HG PRO 11 -10.577 12.908 -5.420
87 HD2 PRO 11 2HD PRO 11 -8.243 12.834 -4.050
88 HD3 PRO 11 3HD PRO 11 -8.316 12.705 -5.819
89 HN1 DCL 12 HN DCL 12 -8.057 15.292 -3.005
90 HA DCL 12 HA DCL 12 -9.645 17.445 -1.659
91 HC1 DCL 12 2HB1 DCL 12 -6.576 17.855 -1.780
92 HC2 DCL 12 3HB1 DCL 12 -7.754 18.771 -2.813
93 HB1 DCL 12 2HB DCL 12 -7.439 15.495 -0.817
94 HB2 DCL 12 3HB DCL 12 -7.947 16.845 0.284
95 HG DCL 12 HG DCL 12 -9.865 14.779 -0.947
96 HD11 DCL 12 1HD1 DCL 12 -11.527 16.036 0.035
97 HD12 DCL 12 2HD1 DCL 12 -10.594 16.171 1.586
98 HD13 DCL 12 3HD1 DCL 12 -10.280 17.339 0.233
99 HD21 DCL 12 1HD2 DCL 12 -8.105 14.674 1.465
100 HD22 DCL 12 2HD2 DCL 12 -9.856 14.328 1.796
101 HD23 DCL 12 3HD2 DCL 12 -8.952 13.344 0.566
102 HXT DCL 12 4H1 DCL 12 -8.101 20.080 -0.983
Start of MODEL 9
1 H1 ACE 1 1H1 ACE 1 1.409 0.671 0.974
2 H2 ACE 1 2H1 ACE 1 -0.238 0.340 0.386
3 H3 ACE 1 3H1 ACE 1 1.124 0.384 -0.759
4 H AIB 2 HN AIB 2 2.544 2.479 -0.239
5 HB11 AIB 2 1HB1 AIB 2 3.650 4.322 -1.150
6 HB12 AIB 2 2HB1 AIB 2 3.013 6.018 -1.045
7 HB13 AIB 2 3HB1 AIB 2 3.443 5.114 0.469
8 HB21 AIB 2 1HB2 AIB 2 1.261 6.183 0.831
9 HB22 AIB 2 2HB2 AIB 2 -0.222 5.203 0.470
10 HB23 AIB 2 3HB2 AIB 2 1.028 4.567 1.621
11 H ASN 3 HN ASN 3 0.775 2.884 -2.364
12 HA ASN 3 HA ASN 3 0.269 4.972 -4.280
13 HB2 ASN 3 2HB ASN 3 0.427 2.049 -4.289
14 HB3 ASN 3 3HB ASN 3 -0.854 2.676 -5.323
15 HD21 ASN 3 1HD2 ASN 3 2.462 3.652 -4.503
16 HD22 ASN 3 2HD2 ASN 3 2.988 3.842 -6.138
17 H ILE 4 HN ILE 4 -1.509 3.403 -1.831
18 HA ILE 4 HA ILE 4 -4.098 3.951 -3.043
19 HB ILE 4 HB ILE 4 -3.551 2.899 -0.270
20 HG12 ILE 4 2HG1 ILE 4 -2.507 1.421 -1.912
21 HG13 ILE 4 3HG1 ILE 4 -3.933 0.655 -1.222
22 HG21 ILE 4 1HG2 ILE 4 -5.875 1.885 -0.735
23 HG22 ILE 4 2HG2 ILE 4 -5.767 3.597 -0.329
24 HG23 ILE 4 3HG2 ILE 4 -5.981 3.101 -2.008
25 HD11 ILE 4 1HD1 ILE 4 -4.730 0.331 -3.253
26 HD12 ILE 4 2HD1 ILE 4 -4.740 2.072 -3.536
27 HD13 ILE 4 3HD1 ILE 4 -3.312 1.121 -3.942
28 H ILE 5 HN ILE 5 -1.899 5.346 -0.767
29 HA ILE 5 HA ILE 5 -3.860 7.086 0.443
30 HB ILE 5 HB ILE 5 -0.846 7.092 0.631
31 HG12 ILE 5 2HG1 ILE 5 -2.979 6.104 2.537
32 HG13 ILE 5 3HG1 ILE 5 -1.881 5.096 1.601
33 HG21 ILE 5 1HG2 ILE 5 -1.171 8.583 2.561
34 HG22 ILE 5 2HG2 ILE 5 -1.720 9.310 1.052
35 HG23 ILE 5 3HG2 ILE 5 -2.894 8.657 2.194
36 HD11 ILE 5 1HD1 ILE 5 -0.190 6.773 2.982
37 HD12 ILE 5 2HD1 ILE 5 -1.476 6.426 4.139
38 HD13 ILE 5 3HD1 ILE 5 -0.579 5.103 3.394
39 H AIB 6 HN AIB 6 -1.653 7.077 -2.250
40 HB11 AIB 6 1HB1 AIB 6 -1.446 8.918 -5.237
41 HB12 AIB 6 2HB1 AIB 6 0.035 8.961 -4.190
42 HB13 AIB 6 3HB1 AIB 6 -0.998 7.470 -4.242
43 HB21 AIB 6 1HB2 AIB 6 -0.668 10.942 -3.255
44 HB22 AIB 6 2HB2 AIB 6 -1.821 10.889 -1.855
45 HB23 AIB 6 3HB2 AIB 6 -0.293 9.910 -1.812
46 HA PRO 7 HA PRO 7 -5.201 10.004 -5.476
47 HB2 PRO 7 2HB PRO 7 -6.794 7.808 -5.588
48 HB3 PRO 7 3HB PRO 7 -5.429 8.063 -6.683
49 HG2 PRO 7 2HG PRO 7 -5.584 6.387 -4.207
50 HG3 PRO 7 3HG PRO 7 -4.839 6.007 -5.770
51 HD2 PRO 7 2HD PRO 7 -3.397 6.822 -3.629
52 HD3 PRO 7 3HD PRO 7 -2.933 7.213 -5.297
53 H LEU 8 HN LEU 8 -5.152 8.532 -2.375
54 HA LEU 8 HA LEU 8 -7.826 8.731 -1.596
55 HB2 LEU 8 2HB LEU 8 -5.314 8.216 -0.365
56 HB3 LEU 8 3HB LEU 8 -6.178 9.397 0.616
57 HG LEU 8 HG LEU 8 -7.107 6.628 -0.133
58 HD11 LEU 8 1HD1 LEU 8 -6.071 7.907 2.363
59 HD12 LEU 8 2HD1 LEU 8 -5.626 6.369 1.626
60 HD13 LEU 8 3HD1 LEU 8 -7.176 6.535 2.451
61 HD21 LEU 8 1HD2 LEU 8 -8.892 7.480 1.689
62 HD22 LEU 8 2HD2 LEU 8 -9.147 7.590 -0.053
63 HD23 LEU 8 3HD2 LEU 8 -8.570 8.995 0.846
64 H LEU 9 HN LEU 9 -5.213 11.118 -1.461
65 HA LEU 9 HA LEU 9 -7.232 13.175 -0.844
66 HB2 LEU 9 2HB LEU 9 -4.350 12.937 -0.040
67 HB3 LEU 9 3HB LEU 9 -5.198 14.481 -0.003
68 HG LEU 9 HG LEU 9 -6.886 12.899 1.437
69 HD11 LEU 9 1HD1 LEU 9 -4.163 11.751 1.587
70 HD12 LEU 9 2HD1 LEU 9 -5.735 10.980 1.792
71 HD13 LEU 9 3HD1 LEU 9 -5.045 11.937 3.103
72 HD21 LEU 9 1HD2 LEU 9 -4.553 14.343 2.666
73 HD22 LEU 9 2HD2 LEU 9 -6.185 14.149 3.308
74 HD23 LEU 9 3HD2 LEU 9 -5.904 15.188 1.911
75 H AIB 10 HN AIB 10 -6.244 11.973 -3.434
76 HB11 AIB 10 1HB1 AIB 10 -4.743 12.049 -6.144
77 HB12 AIB 10 2HB1 AIB 10 -6.439 11.722 -5.589
78 HB13 AIB 10 3HB1 AIB 10 -6.126 12.984 -6.855
79 HB21 AIB 10 1HB2 AIB 10 -3.767 14.188 -5.863
80 HB22 AIB 10 2HB2 AIB 10 -4.084 15.045 -4.296
81 HB23 AIB 10 3HB2 AIB 10 -3.491 13.329 -4.289
82 HA PRO 11 HA PRO 11 -8.528 16.123 -6.394
83 HB2 PRO 11 2HB PRO 11 -10.916 15.490 -5.268
84 HB3 PRO 11 3HB PRO 11 -10.278 14.664 -6.695
85 HG2 PRO 11 2HG PRO 11 -10.226 13.805 -3.828
86 HG3 PRO 11 3HG PRO 11 -10.581 12.847 -5.276
87 HD2 PRO 11 2HD PRO 11 -8.171 12.785 -4.044
88 HD3 PRO 11 3HD PRO 11 -8.352 12.576 -5.798
89 HN1 DCL 12 HN DCL 12 -7.911 15.267 -3.118
90 HA DCL 12 HA DCL 12 -9.352 17.553 -1.814
91 HC1 DCL 12 2HB1 DCL 12 -6.390 17.983 -1.513
92 HC2 DCL 12 3HB1 DCL 12 -7.021 18.316 -3.182
93 HB1 DCL 12 2HB DCL 12 -7.214 15.533 -0.951
94 HB2 DCL 12 3HB DCL 12 -7.641 16.946 0.105
95 HG DCL 12 HG DCL 12 -9.665 14.908 -0.997
96 HD11 DCL 12 1HD1 DCL 12 -9.928 17.536 0.125
97 HD12 DCL 12 2HD1 DCL 12 -11.245 16.306 -0.087
98 HD13 DCL 12 3HD1 DCL 12 -10.331 16.398 1.479
99 HD21 DCL 12 1HD2 DCL 12 -7.940 14.925 1.483
100 HD22 DCL 12 2HD2 DCL 12 -9.684 14.466 1.689
101 HD23 DCL 12 3HD2 DCL 12 -8.630 13.538 0.538
102 HXT DCL 12 4H1 DCL 12 -7.908 20.217 -2.299
Start of MODEL 10
1 H1 ACE 1 1H1 ACE 1 1.306 0.451 -0.675
2 H2 ACE 1 2H1 ACE 1 1.306 0.700 1.087
3 H3 ACE 1 3H1 ACE 1 -0.218 0.344 0.238
4 H AIB 2 HN AIB 2 2.569 2.521 -0.219
5 HB11 AIB 2 1HB1 AIB 2 3.010 6.117 -0.888
6 HB12 AIB 2 2HB1 AIB 2 3.507 5.023 0.472
7 HB13 AIB 2 3HB1 AIB 2 3.631 4.450 -1.246
8 HB21 AIB 2 1HB2 AIB 2 1.267 6.219 0.848
9 HB22 AIB 2 2HB2 AIB 2 -0.211 5.232 0.483
10 HB23 AIB 2 3HB2 AIB 2 1.040 4.602 1.638
11 H ASN 3 HN ASN 3 0.803 2.917 -2.347
12 HA ASN 3 HA ASN 3 0.292 5.003 -4.265
13 HB2 ASN 3 2HB ASN 3 -0.257 2.029 -4.383
14 HB3 ASN 3 3HB ASN 3 -0.422 3.143 -5.737
15 HD21 ASN 3 1HD2 ASN 3 1.580 4.430 -6.224
16 HD22 ASN 3 2HD2 ASN 3 3.086 3.586 -6.152
17 H ILE 4 HN ILE 4 -1.484 3.425 -1.820
18 HA ILE 4 HA ILE 4 -4.072 3.961 -3.039
19 HB ILE 4 HB ILE 4 -3.474 2.873 -0.286
20 HG12 ILE 4 2HG1 ILE 4 -2.570 1.424 -2.066
21 HG13 ILE 4 3HG1 ILE 4 -3.923 0.666 -1.234
22 HG21 ILE 4 1HG2 ILE 4 -5.680 3.760 -0.354
23 HG22 ILE 4 2HG2 ILE 4 -5.993 3.026 -1.926
24 HG23 ILE 4 3HG2 ILE 4 -5.822 2.008 -0.497
25 HD11 ILE 4 1HD1 ILE 4 -5.003 2.072 -3.415
26 HD12 ILE 4 2HD1 ILE 4 -3.588 1.201 -4.010
27 HD13 ILE 4 3HD1 ILE 4 -4.883 0.327 -3.191
28 H ILE 5 HN ILE 5 -1.885 5.367 -0.757
29 HA ILE 5 HA ILE 5 -3.857 7.098 0.448
30 HB ILE 5 HB ILE 5 -0.843 7.117 0.642
31 HG12 ILE 5 2HG1 ILE 5 -2.976 6.121 2.545
32 HG13 ILE 5 3HG1 ILE 5 -1.872 5.117 1.611
33 HG21 ILE 5 1HG2 ILE 5 -1.179 8.608 2.572
34 HG22 ILE 5 2HG2 ILE 5 -1.728 9.332 1.061
35 HG23 ILE 5 3HG2 ILE 5 -2.902 8.674 2.201
36 HD11 ILE 5 1HD1 ILE 5 -0.559 5.136 3.395
37 HD12 ILE 5 2HD1 ILE 5 -0.203 6.819 3.005
38 HD13 ILE 5 3HD1 ILE 5 -1.484 6.432 4.154
39 H AIB 6 HN AIB 6 -1.644 7.098 -2.240
40 HB11 AIB 6 1HB1 AIB 6 -1.473 8.891 -5.227
41 HB12 AIB 6 2HB1 AIB 6 0.023 9.037 -4.210
42 HB13 AIB 6 3HB1 AIB 6 -0.939 7.497 -4.197
43 HB21 AIB 6 1HB2 AIB 6 -1.832 10.909 -1.845
44 HB22 AIB 6 2HB2 AIB 6 -0.299 9.940 -1.800
45 HB23 AIB 6 3HB2 AIB 6 -0.680 10.970 -3.245
46 HA PRO 7 HA PRO 7 -5.200 10.009 -5.474
47 HB2 PRO 7 2HB PRO 7 -6.782 7.805 -5.589
48 HB3 PRO 7 3HB PRO 7 -5.416 8.066 -6.681
49 HG2 PRO 7 2HG PRO 7 -5.568 6.390 -4.205
50 HG3 PRO 7 3HG PRO 7 -4.818 6.013 -5.767
51 HD2 PRO 7 2HD PRO 7 -3.384 6.835 -3.622
52 HD3 PRO 7 3HD PRO 7 -2.919 7.228 -5.290
53 H LEU 8 HN LEU 8 -5.151 8.537 -2.373
54 HA LEU 8 HA LEU 8 -7.827 8.723 -1.599
55 HB2 LEU 8 2HB LEU 8 -5.315 8.220 -0.363
56 HB3 LEU 8 3HB LEU 8 -6.187 9.398 0.616
57 HG LEU 8 HG LEU 8 -7.101 6.624 -0.134
58 HD11 LEU 8 1HD1 LEU 8 -5.937 7.882 2.286
59 HD12 LEU 8 2HD1 LEU 8 -5.732 6.253 1.642
60 HD13 LEU 8 3HD1 LEU 8 -7.205 6.678 2.513
61 HD21 LEU 8 1HD2 LEU 8 -9.148 7.562 -0.050
62 HD22 LEU 8 2HD2 LEU 8 -8.580 8.986 0.822
63 HD23 LEU 8 3HD2 LEU 8 -8.889 7.483 1.693
64 H LEU 9 HN LEU 9 -5.226 11.123 -1.458
65 HA LEU 9 HA LEU 9 -7.256 13.170 -0.847
66 HB2 LEU 9 2HB LEU 9 -4.326 13.122 -0.144
67 HB3 LEU 9 3HB LEU 9 -5.401 14.492 0.128
68 HG LEU 9 HG LEU 9 -6.635 12.326 1.393
69 HD11 LEU 9 1HD1 LEU 9 -4.106 11.482 1.076
70 HD12 LEU 9 2HD1 LEU 9 -5.103 11.072 2.471
71 HD13 LEU 9 3HD1 LEU 9 -3.936 12.390 2.578
72 HD21 LEU 9 1HD2 LEU 9 -6.480 13.656 3.282
73 HD22 LEU 9 2HD2 LEU 9 -6.337 14.834 1.977
74 HD23 LEU 9 3HD2 LEU 9 -4.895 14.288 2.834
75 H AIB 10 HN AIB 10 -6.256 11.973 -3.434
76 HB11 AIB 10 1HB1 AIB 10 -6.124 12.986 -6.858
77 HB12 AIB 10 2HB1 AIB 10 -4.753 12.046 -6.133
78 HB13 AIB 10 3HB1 AIB 10 -6.457 11.728 -5.594
79 HB21 AIB 10 1HB2 AIB 10 -3.800 14.246 -5.856
80 HB22 AIB 10 2HB2 AIB 10 -4.098 15.028 -4.247
81 HB23 AIB 10 3HB2 AIB 10 -3.498 13.317 -4.328
82 HA PRO 11 HA PRO 11 -8.550 16.114 -6.399
83 HB2 PRO 11 2HB PRO 11 -10.938 15.472 -5.278
84 HB3 PRO 11 3HB PRO 11 -10.294 14.649 -6.703
85 HG2 PRO 11 2HG PRO 11 -10.244 13.790 -3.836
86 HG3 PRO 11 3HG PRO 11 -10.593 12.830 -5.285
87 HD2 PRO 11 2HD PRO 11 -8.185 12.777 -4.048
88 HD3 PRO 11 3HD PRO 11 -8.362 12.568 -5.802
89 HN1 DCL 12 HN DCL 12 -7.929 15.264 -3.124
90 HA DCL 12 HA DCL 12 -9.383 17.546 -1.823
91 HC1 DCL 12 2HB1 DCL 12 -6.416 17.972 -1.529
92 HC2 DCL 12 3HB1 DCL 12 -7.064 18.327 -3.187
93 HB1 DCL 12 2HB DCL 12 -7.243 15.531 -0.954
94 HB2 DCL 12 3HB DCL 12 -7.676 16.942 0.101
95 HG DCL 12 HG DCL 12 -9.693 14.901 -1.007
96 HD11 DCL 12 1HD1 DCL 12 -11.109 16.616 -0.373
97 HD12 DCL 12 2HD1 DCL 12 -10.704 16.118 1.325
98 HD13 DCL 12 3HD1 DCL 12 -9.794 17.476 0.535
99 HD21 DCL 12 1HD2 DCL 12 -7.843 14.161 0.786
100 HD22 DCL 12 2HD2 DCL 12 -8.923 15.068 1.928
101 HD23 DCL 12 3HD2 DCL 12 -9.581 13.675 0.968
102 HXT DCL 12 4H1 DCL 12 -7.942 20.216 -2.271
Start of MODEL 11
1 H1 ACE 1 1H1 ACE 1 1.638 0.714 -0.530
2 H2 ACE 1 2H1 ACE 1 1.015 0.785 1.136
3 H3 ACE 1 3H1 ACE 1 -0.086 0.406 -0.210
4 H AIB 2 HN AIB 2 2.538 2.750 -0.203
5 HB11 AIB 2 1HB1 AIB 2 3.250 5.476 0.603
6 HB12 AIB 2 2HB1 AIB 2 3.586 4.638 -0.970
7 HB13 AIB 2 3HB1 AIB 2 2.854 6.299 -0.964
8 HB21 AIB 2 1HB2 AIB 2 1.034 6.352 0.932
9 HB22 AIB 2 2HB2 AIB 2 -0.383 5.302 0.509
10 HB23 AIB 2 3HB2 AIB 2 0.873 4.705 1.674
11 H ASN 3 HN ASN 3 0.805 3.124 -2.363
12 HA ASN 3 HA ASN 3 0.237 5.240 -4.232
13 HB2 ASN 3 2HB ASN 3 0.086 2.235 -4.357
14 HB3 ASN 3 3HB ASN 3 -0.539 3.239 -5.662
15 HD21 ASN 3 1HD2 ASN 3 1.521 1.402 -5.993
16 HD22 ASN 3 2HD2 ASN 3 2.973 2.260 -6.367
17 H ILE 4 HN ILE 4 -1.515 3.514 -1.873
18 HA ILE 4 HA ILE 4 -4.097 3.971 -3.140
19 HB ILE 4 HB ILE 4 -3.504 2.791 -0.423
20 HG12 ILE 4 2HG1 ILE 4 -4.169 1.349 -2.996
21 HG13 ILE 4 3HG1 ILE 4 -2.538 1.512 -2.354
22 HG21 ILE 4 1HG2 ILE 4 -5.701 3.162 -0.163
23 HG22 ILE 4 2HG2 ILE 4 -5.962 3.418 -1.887
24 HG23 ILE 4 3HG2 ILE 4 -5.896 1.780 -1.240
25 HD11 ILE 4 1HD1 ILE 4 -2.834 -0.212 -1.002
26 HD12 ILE 4 2HD1 ILE 4 -4.326 0.472 -0.355
27 HD13 ILE 4 3HD1 ILE 4 -4.368 -0.508 -1.820
28 H ILE 5 HN ILE 5 -2.025 5.391 -0.769
29 HA ILE 5 HA ILE 5 -4.122 7.001 0.419
30 HB ILE 5 HB ILE 5 -1.130 7.125 0.815
31 HG12 ILE 5 2HG1 ILE 5 -3.286 5.867 2.526
32 HG13 ILE 5 3HG1 ILE 5 -2.134 4.985 1.529
33 HG21 ILE 5 1HG2 ILE 5 -1.511 9.038 1.875
34 HG22 ILE 5 2HG2 ILE 5 -3.249 8.878 1.633
35 HG23 ILE 5 3HG2 ILE 5 -2.485 8.147 3.044
36 HD11 ILE 5 1HD1 ILE 5 -0.698 4.968 3.203
37 HD12 ILE 5 2HD1 ILE 5 -0.684 6.732 3.230
38 HD13 ILE 5 3HD1 ILE 5 -1.857 5.845 4.203
39 H AIB 6 HN AIB 6 -1.729 7.165 -2.107
40 HB11 AIB 6 1HB1 AIB 6 -0.967 7.658 -4.036
41 HB12 AIB 6 2HB1 AIB 6 -1.386 9.141 -4.993
42 HB13 AIB 6 3HB1 AIB 6 0.031 9.162 -3.858
43 HB21 AIB 6 1HB2 AIB 6 -0.750 11.076 -2.874
44 HB22 AIB 6 2HB2 AIB 6 -1.997 10.955 -1.562
45 HB23 AIB 6 3HB2 AIB 6 -0.465 9.988 -1.451
46 HA PRO 7 HA PRO 7 -5.135 10.191 -5.411
47 HB2 PRO 7 2HB PRO 7 -6.680 7.981 -5.724
48 HB3 PRO 7 3HB PRO 7 -5.256 8.307 -6.720
49 HG2 PRO 7 2HG PRO 7 -5.533 6.512 -4.340
50 HG3 PRO 7 3HG PRO 7 -4.688 6.218 -5.871
51 HD2 PRO 7 2HD PRO 7 -3.392 6.949 -3.608
52 HD3 PRO 7 3HD PRO 7 -2.834 7.426 -5.225
53 H LEU 8 HN LEU 8 -5.247 8.575 -2.385
54 HA LEU 8 HA LEU 8 -7.967 8.698 -1.763
55 HB2 LEU 8 2HB LEU 8 -5.525 8.161 -0.405
56 HB3 LEU 8 3HB LEU 8 -6.469 9.281 0.575
57 HG LEU 8 HG LEU 8 -7.301 6.538 -0.360
58 HD11 LEU 8 1HD1 LEU 8 -6.217 5.950 1.501
59 HD12 LEU 8 2HD1 LEU 8 -7.570 6.682 2.363
60 HD13 LEU 8 3HD1 LEU 8 -6.103 7.616 2.071
61 HD21 LEU 8 1HD2 LEU 8 -9.236 7.199 1.327
62 HD22 LEU 8 2HD2 LEU 8 -9.338 7.554 -0.397
63 HD23 LEU 8 3HD2 LEU 8 -8.855 8.817 0.737
64 H LEU 9 HN LEU 9 -5.409 11.114 -1.360
65 HA LEU 9 HA LEU 9 -7.496 13.109 -0.769
66 HB2 LEU 9 2HB LEU 9 -5.877 14.357 0.492
67 HB3 LEU 9 3HB LEU 9 -5.947 12.704 1.100
68 HG LEU 9 HG LEU 9 -3.874 12.870 -0.853
69 HD11 LEU 9 1HD1 LEU 9 -3.899 15.062 1.199
70 HD12 LEU 9 2HD1 LEU 9 -3.628 15.184 -0.539
71 HD13 LEU 9 3HD1 LEU 9 -2.404 14.445 0.494
72 HD21 LEU 9 1HD2 LEU 9 -3.332 12.712 2.066
73 HD22 LEU 9 2HD2 LEU 9 -2.676 11.754 0.738
74 HD23 LEU 9 3HD2 LEU 9 -4.311 11.445 1.326
75 H AIB 10 HN AIB 10 -6.339 12.046 -3.350
76 HB11 AIB 10 1HB1 AIB 10 -6.393 11.890 -5.519
77 HB12 AIB 10 2HB1 AIB 10 -6.031 13.214 -6.706
78 HB13 AIB 10 3HB1 AIB 10 -4.674 12.273 -5.954
79 HB21 AIB 10 1HB2 AIB 10 -3.561 13.487 -3.980
80 HB22 AIB 10 2HB2 AIB 10 -3.767 14.429 -5.517
81 HB23 AIB 10 3HB2 AIB 10 -4.192 15.186 -3.923
82 HA PRO 11 HA PRO 11 -8.522 16.285 -6.254
83 HB2 PRO 11 2HB PRO 11 -10.960 15.554 -5.309
84 HB3 PRO 11 3HB PRO 11 -10.218 14.809 -6.730
85 HG2 PRO 11 2HG PRO 11 -10.323 13.817 -3.907
86 HG3 PRO 11 3HG PRO 11 -10.568 12.921 -5.418
87 HD2 PRO 11 2HD PRO 11 -8.238 12.846 -4.042
88 HD3 PRO 11 3HD PRO 11 -8.306 12.717 -5.811
89 HN1 DCL 12 HN DCL 12 -8.079 15.292 -2.991
90 HA DCL 12 HA DCL 12 -9.667 17.434 -1.642
91 HC1 DCL 12 2HB1 DCL 12 -6.634 17.931 -1.548
92 HC2 DCL 12 3HB1 DCL 12 -7.631 18.641 -2.888
93 HB1 DCL 12 2HB DCL 12 -7.429 15.515 -0.812
94 HB2 DCL 12 3HB DCL 12 -7.947 16.859 0.290
95 HG DCL 12 HG DCL 12 -9.846 14.768 -0.926
96 HD11 DCL 12 1HD1 DCL 12 -11.147 16.676 -0.325
97 HD12 DCL 12 2HD1 DCL 12 -11.183 15.695 1.202
98 HD13 DCL 12 3HD1 DCL 12 -10.050 17.107 1.055
99 HD21 DCL 12 1HD2 DCL 12 -9.270 13.321 0.702
100 HD22 DCL 12 2HD2 DCL 12 -7.937 14.445 1.203
101 HD23 DCL 12 3HD2 DCL 12 -9.578 14.584 1.967
102 HXT DCL 12 4H1 DCL 12 -8.307 20.184 -1.357
Start of MODEL 12
1 H1 ACE 1 1H1 ACE 1 -1.209 0.115 0.215
2 H2 ACE 1 2H1 ACE 1 -0.037 0.015 -1.121
3 H3 ACE 1 3H1 ACE 1 0.533 0.016 0.565
4 H AIB 2 HN AIB 2 1.928 1.694 0.032
5 HB11 AIB 2 1HB1 AIB 2 3.424 3.830 -0.897
6 HB12 AIB 2 2HB1 AIB 2 3.108 5.172 0.283
7 HB13 AIB 2 3HB1 AIB 2 3.330 3.471 0.879
8 HB21 AIB 2 1HB2 AIB 2 1.401 4.642 1.954
9 HB22 AIB 2 2HB2 AIB 2 0.327 5.527 0.790
10 HB23 AIB 2 3HB2 AIB 2 -0.162 3.895 1.417
11 H ASN 3 HN ASN 3 0.677 2.701 -2.286
12 HA ASN 3 HA ASN 3 0.709 5.107 -3.869
13 HB2 ASN 3 2HB ASN 3 0.117 2.216 -4.421
14 HB3 ASN 3 3HB ASN 3 -0.299 3.447 -5.610
15 HD21 ASN 3 1HD2 ASN 3 2.211 1.639 -4.136
16 HD22 ASN 3 2HD2 ASN 3 3.513 2.241 -5.098
17 H ILE 4 HN ILE 4 -1.585 3.418 -1.979
18 HA ILE 4 HA ILE 4 -3.915 4.374 -3.383
19 HB ILE 4 HB ILE 4 -3.753 3.179 -0.615
20 HG12 ILE 4 2HG1 ILE 4 -4.811 1.385 -2.575
21 HG13 ILE 4 3HG1 ILE 4 -3.254 1.978 -3.144
22 HG21 ILE 4 1HG2 ILE 4 -5.881 3.894 -0.580
23 HG22 ILE 4 2HG2 ILE 4 -5.943 4.110 -2.328
24 HG23 ILE 4 3HG2 ILE 4 -6.180 2.509 -1.629
25 HD11 ILE 4 1HD1 ILE 4 -3.024 1.301 -0.391
26 HD12 ILE 4 2HD1 ILE 4 -3.769 -0.043 -1.257
27 HD13 ILE 4 3HD1 ILE 4 -2.210 0.591 -1.784
28 H ILE 5 HN ILE 5 -1.929 5.408 -0.711
29 HA ILE 5 HA ILE 5 -3.738 7.251 0.442
30 HB ILE 5 HB ILE 5 -0.720 7.196 0.486
31 HG12 ILE 5 2HG1 ILE 5 -1.927 5.261 1.521
32 HG13 ILE 5 3HG1 ILE 5 -0.957 6.188 2.661
33 HG21 ILE 5 1HG2 ILE 5 -2.690 9.049 1.721
34 HG22 ILE 5 2HG2 ILE 5 -1.260 8.601 2.649
35 HG23 ILE 5 3HG2 ILE 5 -1.082 9.375 1.074
36 HD11 ILE 5 1HD1 ILE 5 -3.709 7.117 2.474
37 HD12 ILE 5 2HD1 ILE 5 -3.560 5.443 3.012
38 HD13 ILE 5 3HD1 ILE 5 -2.731 6.728 3.889
39 H AIB 6 HN AIB 6 -1.641 7.289 -2.345
40 HB11 AIB 6 1HB1 AIB 6 -0.994 7.731 -4.319
41 HB12 AIB 6 2HB1 AIB 6 -1.520 9.166 -5.298
42 HB13 AIB 6 3HB1 AIB 6 -0.015 9.258 -4.287
43 HB21 AIB 6 1HB2 AIB 6 -1.864 11.092 -1.875
44 HB22 AIB 6 2HB2 AIB 6 -0.310 10.155 -1.889
45 HB23 AIB 6 3HB2 AIB 6 -0.752 11.202 -3.303
46 HA PRO 7 HA PRO 7 -5.289 10.196 -5.456
47 HB2 PRO 7 2HB PRO 7 -6.827 7.963 -5.592
48 HB3 PRO 7 3HB PRO 7 -5.487 8.275 -6.701
49 HG2 PRO 7 2HG PRO 7 -5.561 6.543 -4.261
50 HG3 PRO 7 3HG PRO 7 -4.831 6.216 -5.843
51 HD2 PRO 7 2HD PRO 7 -3.375 7.021 -3.707
52 HD3 PRO 7 3HD PRO 7 -2.948 7.460 -5.373
53 H LEU 8 HN LEU 8 -5.156 8.652 -2.391
54 HA LEU 8 HA LEU 8 -7.817 8.761 -1.562
55 HB2 LEU 8 2HB LEU 8 -5.271 8.303 -0.382
56 HB3 LEU 8 3HB LEU 8 -6.150 9.445 0.632
57 HG LEU 8 HG LEU 8 -7.012 6.661 -0.140
58 HD11 LEU 8 1HD1 LEU 8 -7.024 6.504 2.428
59 HD12 LEU 8 2HD1 LEU 8 -6.000 7.939 2.371
60 HD13 LEU 8 3HD1 LEU 8 -5.474 6.449 1.588
61 HD21 LEU 8 1HD2 LEU 8 -9.106 7.352 0.137
62 HD22 LEU 8 2HD2 LEU 8 -8.577 8.957 0.640
63 HD23 LEU 8 3HD2 LEU 8 -8.710 7.660 1.828
64 H LEU 9 HN LEU 9 -5.272 11.223 -1.382
65 HA LEU 9 HA LEU 9 -7.353 13.207 -0.735
66 HB2 LEU 9 2HB LEU 9 -5.857 14.403 0.573
67 HB3 LEU 9 3HB LEU 9 -5.504 12.723 0.971
68 HG LEU 9 HG LEU 9 -3.755 13.346 -1.109
69 HD11 LEU 9 1HD1 LEU 9 -4.531 15.764 -0.354
70 HD12 LEU 9 2HD1 LEU 9 -2.861 15.413 -0.796
71 HD13 LEU 9 3HD1 LEU 9 -3.327 15.483 0.904
72 HD21 LEU 9 1HD2 LEU 9 -2.124 13.448 0.935
73 HD22 LEU 9 2HD2 LEU 9 -2.951 11.945 0.524
74 HD23 LEU 9 3HD2 LEU 9 -3.555 12.953 1.840
75 H AIB 10 HN AIB 10 -6.360 12.102 -3.349
76 HB11 AIB 10 1HB1 AIB 10 -6.626 11.949 -5.540
77 HB12 AIB 10 2HB1 AIB 10 -6.195 13.216 -6.766
78 HB13 AIB 10 3HB1 AIB 10 -4.892 12.205 -6.007
79 HB21 AIB 10 1HB2 AIB 10 -3.624 13.506 -4.193
80 HB22 AIB 10 2HB2 AIB 10 -3.925 14.420 -5.731
81 HB23 AIB 10 3HB2 AIB 10 -4.237 15.212 -4.128
82 HA PRO 11 HA PRO 11 -8.724 16.293 -6.167
83 HB2 PRO 11 2HB PRO 11 -11.077 15.635 -4.985
84 HB3 PRO 11 3HB PRO 11 -10.472 14.827 -6.436
85 HG2 PRO 11 2HG PRO 11 -10.339 13.941 -3.579
86 HG3 PRO 11 3HG PRO 11 -10.728 12.994 -5.028
87 HD2 PRO 11 2HD PRO 11 -8.286 12.934 -3.860
88 HD3 PRO 11 3HD PRO 11 -8.512 12.741 -5.610
89 HN1 DCL 12 HN DCL 12 -9.119 15.184 -2.786
90 HA DCL 12 HA DCL 12 -9.755 17.999 -1.836
91 HC1 DCL 12 2HB1 DCL 12 -7.135 16.529 -1.062
92 HC2 DCL 12 3HB1 DCL 12 -7.285 18.124 -1.915
93 HB1 DCL 12 2HB DCL 12 -9.924 16.937 0.411
94 HB2 DCL 12 3HB DCL 12 -10.912 16.043 -0.822
95 HG DCL 12 HG DCL 12 -8.245 14.912 -0.795
96 HD11 DCL 12 1HD1 DCL 12 -9.646 12.896 0.091
97 HD12 DCL 12 2HD1 DCL 12 -11.067 14.025 0.102
98 HD13 DCL 12 3HD1 DCL 12 -10.220 13.646 -1.459
99 HD21 DCL 12 1HD2 DCL 12 -7.920 15.782 1.466
100 HD22 DCL 12 2HD2 DCL 12 -9.556 15.186 1.977
101 HD23 DCL 12 3HD2 DCL 12 -8.245 14.000 1.563
102 HXT DCL 12 4H1 DCL 12 -7.448 19.043 0.161
Start of MODEL 13
1 H1 ACE 1 1H1 ACE 1 0.097 -0.325 0.812
2 H2 ACE 1 2H1 ACE 1 -1.006 -0.214 -0.581
3 H3 ACE 1 3H1 ACE 1 0.755 -0.207 -0.838
4 H AIB 2 HN AIB 2 2.022 1.489 0.112
5 HB11 AIB 2 1HB1 AIB 2 3.008 5.018 0.613
6 HB12 AIB 2 2HB1 AIB 2 3.229 3.372 1.343
7 HB13 AIB 2 3HB1 AIB 2 3.464 3.613 -0.440
8 HB21 AIB 2 1HB2 AIB 2 0.893 5.187 1.632
9 HB22 AIB 2 2HB2 AIB 2 -0.503 4.143 1.129
10 HB23 AIB 2 3HB2 AIB 2 0.744 3.499 2.279
11 H ASN 3 HN ASN 3 0.710 2.618 -2.094
12 HA ASN 3 HA ASN 3 0.810 5.113 -3.523
13 HB2 ASN 3 2HB ASN 3 0.658 2.291 -4.182
14 HB3 ASN 3 3HB ASN 3 -0.467 3.236 -5.153
15 HD21 ASN 3 1HD2 ASN 3 2.220 1.845 -5.600
16 HD22 ASN 3 2HD2 ASN 3 3.145 3.027 -6.455
17 H ILE 4 HN ILE 4 -1.558 3.366 -1.784
18 HA ILE 4 HA ILE 4 -3.858 4.355 -3.170
19 HB ILE 4 HB ILE 4 -3.710 3.265 -0.359
20 HG12 ILE 4 2HG1 ILE 4 -2.775 1.664 -1.959
21 HG13 ILE 4 3HG1 ILE 4 -4.333 1.104 -1.360
22 HG21 ILE 4 1HG2 ILE 4 -6.077 2.743 -0.696
23 HG22 ILE 4 2HG2 ILE 4 -5.768 4.472 -0.840
24 HG23 ILE 4 3HG2 ILE 4 -6.015 3.497 -2.288
25 HD11 ILE 4 1HD1 ILE 4 -3.981 0.767 -3.792
26 HD12 ILE 4 2HD1 ILE 4 -5.409 1.725 -3.397
27 HD13 ILE 4 3HD1 ILE 4 -3.949 2.520 -3.983
28 H ILE 5 HN ILE 5 -1.818 5.514 -0.614
29 HA ILE 5 HA ILE 5 -3.601 7.383 0.537
30 HB ILE 5 HB ILE 5 -0.585 7.342 0.450
31 HG12 ILE 5 2HG1 ILE 5 -1.825 5.498 1.665
32 HG13 ILE 5 3HG1 ILE 5 -0.703 6.430 2.650
33 HG21 ILE 5 1HG2 ILE 5 -1.095 9.596 0.821
34 HG22 ILE 5 2HG2 ILE 5 -2.487 9.207 1.831
35 HG23 ILE 5 3HG2 ILE 5 -0.853 8.930 2.435
36 HD11 ILE 5 1HD1 ILE 5 -3.240 5.843 3.354
37 HD12 ILE 5 2HD1 ILE 5 -2.331 7.226 3.965
38 HD13 ILE 5 3HD1 ILE 5 -3.457 7.434 2.625
39 H AIB 6 HN AIB 6 -1.637 7.325 -2.343
40 HB11 AIB 6 1HB1 AIB 6 -0.960 7.712 -4.293
41 HB12 AIB 6 2HB1 AIB 6 -1.718 8.964 -5.367
42 HB13 AIB 6 3HB1 AIB 6 -0.167 9.331 -4.497
43 HB21 AIB 6 1HB2 AIB 6 -1.930 11.154 -2.048
44 HB22 AIB 6 2HB2 AIB 6 -0.363 10.241 -2.045
45 HB23 AIB 6 3HB2 AIB 6 -0.851 11.202 -3.505
46 HA PRO 7 HA PRO 7 -5.456 10.005 -5.437
47 HB2 PRO 7 2HB PRO 7 -6.944 7.735 -5.412
48 HB3 PRO 7 3HB PRO 7 -5.654 8.025 -6.585
49 HG2 PRO 7 2HG PRO 7 -5.595 6.408 -4.066
50 HG3 PRO 7 3HG PRO 7 -4.917 6.023 -5.659
51 HD2 PRO 7 2HD PRO 7 -3.404 6.959 -3.618
52 HD3 PRO 7 3HD PRO 7 -3.049 7.329 -5.318
53 H LEU 8 HN LEU 8 -5.170 8.616 -2.311
54 HA LEU 8 HA LEU 8 -7.808 8.715 -1.394
55 HB2 LEU 8 2HB LEU 8 -5.213 8.336 -0.289
56 HB3 LEU 8 3HB LEU 8 -6.081 9.495 0.716
57 HG LEU 8 HG LEU 8 -6.917 6.672 0.061
58 HD11 LEU 8 1HD1 LEU 8 -5.794 8.042 2.466
59 HD12 LEU 8 2HD1 LEU 8 -5.353 6.494 1.748
60 HD13 LEU 8 3HD1 LEU 8 -6.856 6.646 2.657
61 HD21 LEU 8 1HD2 LEU 8 -8.772 7.194 1.703
62 HD22 LEU 8 2HD2 LEU 8 -8.922 7.914 0.100
63 HD23 LEU 8 3HD2 LEU 8 -8.379 8.896 1.461
64 H LEU 9 HN LEU 9 -5.259 11.192 -1.245
65 HA LEU 9 HA LEU 9 -7.362 13.191 -0.726
66 HB2 LEU 9 2HB LEU 9 -5.928 14.407 0.626
67 HB3 LEU 9 3HB LEU 9 -5.578 12.736 1.062
68 HG LEU 9 HG LEU 9 -3.753 13.337 -0.955
69 HD11 LEU 9 1HD1 LEU 9 -4.582 15.763 -0.278
70 HD12 LEU 9 2HD1 LEU 9 -2.894 15.419 -0.656
71 HD13 LEU 9 3HD1 LEU 9 -3.418 15.518 1.025
72 HD21 LEU 9 1HD2 LEU 9 -2.240 12.668 0.595
73 HD22 LEU 9 2HD2 LEU 9 -3.702 12.144 1.431
74 HD23 LEU 9 3HD2 LEU 9 -2.934 13.670 1.870
75 H AIB 10 HN AIB 10 -6.238 12.022 -3.268
76 HB11 AIB 10 1HB1 AIB 10 -4.647 12.096 -5.883
77 HB12 AIB 10 2HB1 AIB 10 -6.385 11.803 -5.451
78 HB13 AIB 10 3HB1 AIB 10 -5.956 13.057 -6.692
79 HB21 AIB 10 1HB2 AIB 10 -4.089 15.103 -3.986
80 HB22 AIB 10 2HB2 AIB 10 -3.467 13.400 -4.057
81 HB23 AIB 10 3HB2 AIB 10 -3.724 14.338 -5.590
82 HA PRO 11 HA PRO 11 -8.473 16.148 -6.301
83 HB2 PRO 11 2HB PRO 11 -10.890 15.484 -5.257
84 HB3 PRO 11 3HB PRO 11 -10.192 14.666 -6.659
85 HG2 PRO 11 2HG PRO 11 -10.227 13.811 -3.791
86 HG3 PRO 11 3HG PRO 11 -10.520 12.846 -5.250
87 HD2 PRO 11 2HD PRO 11 -8.153 12.817 -3.935
88 HD3 PRO 11 3HD PRO 11 -8.272 12.604 -5.693
89 HN1 DCL 12 HN DCL 12 -9.057 15.071 -2.937
90 HA DCL 12 HA DCL 12 -9.715 17.920 -2.071
91 HC1 DCL 12 2HB1 DCL 12 -7.307 16.348 -0.902
92 HC2 DCL 12 3HB1 DCL 12 -7.190 17.806 -1.975
93 HB1 DCL 12 2HB DCL 12 -10.148 16.886 0.151
94 HB2 DCL 12 3HB DCL 12 -11.047 16.021 -1.167
95 HG DCL 12 HG DCL 12 -8.675 14.597 -1.099
96 HD11 DCL 12 1HD1 DCL 12 -10.758 13.426 -1.126
97 HD12 DCL 12 2HD1 DCL 12 -10.120 13.044 0.530
98 HD13 DCL 12 3HD1 DCL 12 -11.389 14.325 0.318
99 HD21 DCL 12 1HD2 DCL 12 -8.148 16.054 1.041
100 HD22 DCL 12 2HD2 DCL 12 -9.354 14.969 1.855
101 HD23 DCL 12 3HD2 DCL 12 -7.869 14.262 1.085
102 HXT DCL 12 4H1 DCL 12 -7.509 19.032 -0.084
Start of MODEL 14
1 H1 ACE 1 1H1 ACE 1 1.157 0.090 -0.276
2 H2 ACE 1 2H1 ACE 1 -0.226 0.070 0.844
3 H3 ACE 1 3H1 ACE 1 -0.504 0.094 -0.914
4 H AIB 2 HN AIB 2 2.198 1.859 0.091
5 HB11 AIB 2 1HB1 AIB 2 3.141 5.403 0.481
6 HB12 AIB 2 2HB1 AIB 2 3.442 3.722 1.092
7 HB13 AIB 2 3HB1 AIB 2 3.586 4.083 -0.681
8 HB21 AIB 2 1HB2 AIB 2 1.439 4.838 2.060
9 HB22 AIB 2 2HB2 AIB 2 0.211 5.484 0.892
10 HB23 AIB 2 3HB2 AIB 2 0.014 3.820 1.588
11 H ASN 3 HN ASN 3 0.909 2.852 -2.192
12 HA ASN 3 HA ASN 3 0.878 5.291 -3.723
13 HB2 ASN 3 2HB ASN 3 0.623 3.937 -5.622
14 HB3 ASN 3 3HB ASN 3 1.589 2.947 -4.532
15 HD21 ASN 3 1HD2 ASN 3 0.553 1.242 -3.391
16 HD22 ASN 3 2HD2 ASN 3 -0.884 0.516 -4.017
17 H ILE 4 HN ILE 4 -1.386 3.478 -1.918
18 HA ILE 4 HA ILE 4 -3.723 4.352 -3.357
19 HB ILE 4 HB ILE 4 -3.562 3.147 -0.593
20 HG12 ILE 4 2HG1 ILE 4 -2.535 1.680 -2.280
21 HG13 ILE 4 3HG1 ILE 4 -4.047 1.006 -1.684
22 HG21 ILE 4 1HG2 ILE 4 -5.942 2.381 -1.538
23 HG22 ILE 4 2HG2 ILE 4 -5.705 3.877 -0.636
24 HG23 ILE 4 3HG2 ILE 4 -5.776 3.912 -2.397
25 HD11 ILE 4 1HD1 ILE 4 -5.174 1.879 -3.704
26 HD12 ILE 4 2HD1 ILE 4 -3.602 2.403 -4.308
27 HD13 ILE 4 3HD1 ILE 4 -3.921 0.688 -4.050
28 H ILE 5 HN ILE 5 -1.839 5.450 -0.637
29 HA ILE 5 HA ILE 5 -3.756 7.224 0.464
30 HB ILE 5 HB ILE 5 -0.744 7.221 0.640
31 HG12 ILE 5 2HG1 ILE 5 -2.908 6.338 2.562
32 HG13 ILE 5 3HG1 ILE 5 -1.816 5.284 1.671
33 HG21 ILE 5 1HG2 ILE 5 -2.750 8.902 2.135
34 HG22 ILE 5 2HG2 ILE 5 -1.043 8.763 2.551
35 HG23 ILE 5 3HG2 ILE 5 -1.519 9.474 1.009
36 HD11 ILE 5 1HD1 ILE 5 -1.393 6.778 4.143
37 HD12 ILE 5 2HD1 ILE 5 -0.609 5.315 3.546
38 HD13 ILE 5 3HD1 ILE 5 -0.069 6.898 2.986
39 H AIB 6 HN AIB 6 -1.564 7.335 -2.241
40 HB11 AIB 6 1HB1 AIB 6 -1.425 9.204 -5.180
41 HB12 AIB 6 2HB1 AIB 6 0.061 9.370 -4.152
42 HB13 AIB 6 3HB1 AIB 6 -0.854 7.803 -4.179
43 HB21 AIB 6 1HB2 AIB 6 -0.713 11.264 -3.147
44 HB22 AIB 6 2HB2 AIB 6 -1.857 11.126 -1.747
45 HB23 AIB 6 3HB2 AIB 6 -0.291 10.209 -1.734
46 HA PRO 7 HA PRO 7 -5.183 10.214 -5.420
47 HB2 PRO 7 2HB PRO 7 -6.690 7.964 -5.605
48 HB3 PRO 7 3HB PRO 7 -5.329 8.299 -6.680
49 HG2 PRO 7 2HG PRO 7 -5.439 6.552 -4.252
50 HG3 PRO 7 3HG PRO 7 -4.668 6.242 -5.818
51 HD2 PRO 7 2HD PRO 7 -3.273 7.053 -3.643
52 HD3 PRO 7 3HD PRO 7 -2.812 7.506 -5.297
53 H LEU 8 HN LEU 8 -5.103 8.658 -2.360
54 HA LEU 8 HA LEU 8 -7.783 8.726 -1.593
55 HB2 LEU 8 2HB LEU 8 -5.259 8.300 -0.356
56 HB3 LEU 8 3HB LEU 8 -6.177 9.426 0.641
57 HG LEU 8 HG LEU 8 -6.982 6.633 -0.159
58 HD11 LEU 8 1HD1 LEU 8 -7.038 6.437 2.391
59 HD12 LEU 8 2HD1 LEU 8 -6.080 7.917 2.396
60 HD13 LEU 8 3HD1 LEU 8 -5.461 6.468 1.603
61 HD21 LEU 8 1HD2 LEU 8 -9.018 7.730 -0.164
62 HD22 LEU 8 2HD2 LEU 8 -8.525 8.872 1.086
63 HD23 LEU 8 3HD2 LEU 8 -8.884 7.198 1.512
64 H LEU 9 HN LEU 9 -5.278 11.224 -1.341
65 HA LEU 9 HA LEU 9 -7.403 13.175 -0.740
66 HB2 LEU 9 2HB LEU 9 -5.957 14.388 0.609
67 HB3 LEU 9 3HB LEU 9 -5.593 12.711 1.012
68 HG LEU 9 HG LEU 9 -3.798 13.362 -1.020
69 HD11 LEU 9 1HD1 LEU 9 -3.448 15.499 1.006
70 HD12 LEU 9 2HD1 LEU 9 -4.627 15.768 -0.276
71 HD13 LEU 9 3HD1 LEU 9 -2.943 15.441 -0.683
72 HD21 LEU 9 1HD2 LEU 9 -3.269 11.917 0.809
73 HD22 LEU 9 2HD2 LEU 9 -3.501 13.219 1.976
74 HD23 LEU 9 3HD2 LEU 9 -2.145 13.276 0.849
75 H AIB 10 HN AIB 10 -6.326 12.095 -3.332
76 HB11 AIB 10 1HB1 AIB 10 -6.239 13.194 -6.695
77 HB12 AIB 10 2HB1 AIB 10 -4.768 12.344 -6.058
78 HB13 AIB 10 3HB1 AIB 10 -6.418 11.870 -5.468
79 HB21 AIB 10 1HB2 AIB 10 -3.858 14.437 -5.643
80 HB22 AIB 10 2HB2 AIB 10 -4.229 15.246 -4.062
81 HB23 AIB 10 3HB2 AIB 10 -3.595 13.546 -4.085
82 HA PRO 11 HA PRO 11 -8.675 16.267 -6.192
83 HB2 PRO 11 2HB PRO 11 -11.049 15.573 -5.073
84 HB3 PRO 11 3HB PRO 11 -10.396 14.779 -6.511
85 HG2 PRO 11 2HG PRO 11 -10.325 13.882 -3.656
86 HG3 PRO 11 3HG PRO 11 -10.663 12.937 -5.118
87 HD2 PRO 11 2HD PRO 11 -8.251 12.904 -3.888
88 HD3 PRO 11 3HD PRO 11 -8.430 12.716 -5.645
89 HN1 DCL 12 HN DCL 12 -9.143 15.138 -2.827
90 HA DCL 12 HA DCL 12 -9.844 17.937 -1.880
91 HC1 DCL 12 2HB1 DCL 12 -7.644 16.981 -0.178
92 HC2 DCL 12 3HB1 DCL 12 -7.085 17.064 -1.902
93 HB1 DCL 12 2HB DCL 12 -10.037 16.858 0.361
94 HB2 DCL 12 3HB DCL 12 -10.995 15.969 -0.897
95 HG DCL 12 HG DCL 12 -8.269 14.909 -0.757
96 HD11 DCL 12 1HD1 DCL 12 -9.885 12.879 0.092
97 HD12 DCL 12 2HD1 DCL 12 -11.174 14.013 -0.496
98 HD13 DCL 12 3HD1 DCL 12 -9.882 13.436 -1.635
99 HD21 DCL 12 1HD2 DCL 12 -8.679 13.799 1.571
100 HD22 DCL 12 2HD2 DCL 12 -8.055 15.502 1.532
101 HD23 DCL 12 3HD2 DCL 12 -9.809 15.184 1.876
102 HXT DCL 12 4H1 DCL 12 -7.080 19.324 -1.630
Start of MODEL 15
1 H1 ACE 1 1H1 ACE 1 1.406 0.551 -0.589
2 H2 ACE 1 2H1 ACE 1 1.138 0.777 1.156
3 H3 ACE 1 3H1 ACE 1 -0.237 0.417 0.084
4 H AIB 2 HN AIB 2 2.559 2.572 -0.285
5 HB11 AIB 2 1HB1 AIB 2 3.124 5.800 -1.508
6 HB12 AIB 2 2HB1 AIB 2 3.331 5.642 0.287
7 HB13 AIB 2 3HB1 AIB 2 3.751 4.252 -0.801
8 HB21 AIB 2 1HB2 AIB 2 1.333 6.303 0.762
9 HB22 AIB 2 2HB2 AIB 2 -0.166 5.332 0.443
10 HB23 AIB 2 3HB2 AIB 2 1.101 4.700 1.578
11 H ASN 3 HN ASN 3 0.751 2.966 -2.378
12 HA ASN 3 HA ASN 3 0.226 5.034 -4.312
13 HB2 ASN 3 2HB ASN 3 -0.417 2.077 -4.401
14 HB3 ASN 3 3HB ASN 3 -0.501 3.190 -5.764
15 HD21 ASN 3 1HD2 ASN 3 0.981 1.120 -6.235
16 HD22 ASN 3 2HD2 ASN 3 2.670 1.464 -6.122
17 H ILE 4 HN ILE 4 -1.517 3.514 -1.807
18 HA ILE 4 HA ILE 4 -4.124 4.072 -2.975
19 HB ILE 4 HB ILE 4 -3.510 3.036 -0.208
20 HG12 ILE 4 2HG1 ILE 4 -2.577 1.547 -1.936
21 HG13 ILE 4 3HG1 ILE 4 -3.937 0.800 -1.105
22 HG21 ILE 4 1HG2 ILE 4 -5.693 3.545 0.009
23 HG22 ILE 4 2HG2 ILE 4 -5.966 3.582 -1.732
24 HG23 ILE 4 3HG2 ILE 4 -5.927 2.039 -0.879
25 HD11 ILE 4 1HD1 ILE 4 -4.959 2.169 -3.356
26 HD12 ILE 4 2HD1 ILE 4 -3.565 1.224 -3.881
27 HD13 ILE 4 3HD1 ILE 4 -4.905 0.432 -3.052
28 H ILE 5 HN ILE 5 -1.866 5.475 -0.762
29 HA ILE 5 HA ILE 5 -3.786 7.251 0.463
30 HB ILE 5 HB ILE 5 -0.768 7.229 0.591
31 HG12 ILE 5 2HG1 ILE 5 -2.872 6.288 2.553
32 HG13 ILE 5 3HG1 ILE 5 -1.803 5.257 1.609
33 HG21 ILE 5 1HG2 ILE 5 -1.612 9.462 0.999
34 HG22 ILE 5 2HG2 ILE 5 -2.771 8.836 2.171
35 HG23 ILE 5 3HG2 ILE 5 -1.042 8.750 2.508
36 HD11 ILE 5 1HD1 ILE 5 -0.006 6.825 2.879
37 HD12 ILE 5 2HD1 ILE 5 -1.297 6.743 4.079
38 HD13 ILE 5 3HD1 ILE 5 -0.564 5.260 3.468
39 H AIB 6 HN AIB 6 -1.634 7.184 -2.273
40 HB11 AIB 6 1HB1 AIB 6 -1.497 8.943 -5.287
41 HB12 AIB 6 2HB1 AIB 6 0.020 9.064 -4.300
42 HB13 AIB 6 3HB1 AIB 6 -0.975 7.546 -4.255
43 HB21 AIB 6 1HB2 AIB 6 -0.628 11.023 -3.350
44 HB22 AIB 6 2HB2 AIB 6 -1.759 11.006 -1.931
45 HB23 AIB 6 3HB2 AIB 6 -0.242 10.009 -1.896
46 HA PRO 7 HA PRO 7 -5.219 10.103 -5.467
47 HB2 PRO 7 2HB PRO 7 -6.834 7.921 -5.517
48 HB3 PRO 7 3HB PRO 7 -5.489 8.147 -6.642
49 HG2 PRO 7 2HG PRO 7 -5.610 6.507 -4.141
50 HG3 PRO 7 3HG PRO 7 -4.900 6.098 -5.714
51 HD2 PRO 7 2HD PRO 7 -3.407 6.928 -3.613
52 HD3 PRO 7 3HD PRO 7 -2.973 7.292 -5.295
53 H LEU 8 HN LEU 8 -5.121 8.671 -2.348
54 HA LEU 8 HA LEU 8 -7.773 8.897 -1.513
55 HB2 LEU 8 2HB LEU 8 -5.236 8.401 -0.327
56 HB3 LEU 8 3HB LEU 8 -6.072 9.608 0.647
57 HG LEU 8 HG LEU 8 -7.029 6.826 -0.017
58 HD11 LEU 8 1HD1 LEU 8 -5.349 7.749 1.992
59 HD12 LEU 8 2HD1 LEU 8 -6.206 6.208 1.951
60 HD13 LEU 8 3HD1 LEU 8 -6.927 7.597 2.765
61 HD21 LEU 8 1HD2 LEU 8 -9.075 7.734 0.128
62 HD22 LEU 8 2HD2 LEU 8 -8.475 9.222 0.861
63 HD23 LEU 8 3HD2 LEU 8 -8.743 7.792 1.859
64 H LEU 9 HN LEU 9 -5.146 11.279 -1.430
65 HA LEU 9 HA LEU 9 -7.159 13.353 -0.853
66 HB2 LEU 9 2HB LEU 9 -4.230 13.660 -0.300
67 HB3 LEU 9 3HB LEU 9 -5.581 14.579 0.362
68 HG LEU 9 HG LEU 9 -4.965 11.702 1.031
69 HD11 LEU 9 1HD1 LEU 9 -4.615 14.007 2.901
70 HD12 LEU 9 2HD1 LEU 9 -3.327 13.567 1.780
71 HD13 LEU 9 3HD1 LEU 9 -3.904 12.394 2.963
72 HD21 LEU 9 1HD2 LEU 9 -6.671 11.831 2.631
73 HD22 LEU 9 2HD2 LEU 9 -7.362 12.567 1.184
74 HD23 LEU 9 3HD2 LEU 9 -6.781 13.587 2.501
75 H AIB 10 HN AIB 10 -6.208 12.120 -3.426
76 HB11 AIB 10 1HB1 AIB 10 -4.718 12.147 -6.157
77 HB12 AIB 10 2HB1 AIB 10 -6.407 11.841 -5.570
78 HB13 AIB 10 3HB1 AIB 10 -6.104 13.088 -6.853
79 HB21 AIB 10 1HB2 AIB 10 -3.724 14.331 -5.891
80 HB22 AIB 10 2HB2 AIB 10 -3.978 15.099 -4.267
81 HB23 AIB 10 3HB2 AIB 10 -3.420 13.375 -4.380
82 HA PRO 11 HA PRO 11 -8.442 16.274 -6.399
83 HB2 PRO 11 2HB PRO 11 -10.814 15.732 -5.196
84 HB3 PRO 11 3HB PRO 11 -10.235 14.854 -6.616
85 HG2 PRO 11 2HG PRO 11 -10.129 14.069 -3.729
86 HG3 PRO 11 3HG PRO 11 -10.546 13.082 -5.142
87 HD2 PRO 11 2HD PRO 11 -8.107 12.990 -3.971
88 HD3 PRO 11 3HD PRO 11 -8.339 12.740 -5.713
89 HN1 DCL 12 HN DCL 12 -8.874 15.302 -2.981
90 HA DCL 12 HA DCL 12 -9.427 18.165 -2.133
91 HC1 DCL 12 2HB1 DCL 12 -7.227 17.180 -0.447
92 HC2 DCL 12 3HB1 DCL 12 -6.709 17.171 -2.186
93 HB1 DCL 12 2HB DCL 12 -9.607 17.186 0.155
94 HB2 DCL 12 3HB DCL 12 -10.637 16.292 -1.042
95 HG DCL 12 HG DCL 12 -7.956 15.117 -0.925
96 HD11 DCL 12 1HD1 DCL 12 -9.580 13.167 -0.011
97 HD12 DCL 12 2HD1 DCL 12 -10.887 14.338 -0.477
98 HD13 DCL 12 3HD1 DCL 12 -9.714 13.740 -1.728
99 HD21 DCL 12 1HD2 DCL 12 -9.160 15.932 1.681
100 HD22 DCL 12 2HD2 DCL 12 -8.790 14.160 1.555
101 HD23 DCL 12 3HD2 DCL 12 -7.477 15.384 1.282
102 HXT DCL 12 4H1 DCL 12 -6.600 19.437 -2.005
Start of MODEL 16
1 H1 ACE 1 1H1 ACE 1 1.862 -0.285 0.568
2 H2 ACE 1 2H1 ACE 1 0.669 0.066 1.842
3 H3 ACE 1 3H1 ACE 1 0.226 0.262 0.129
4 H AIB 2 HN AIB 2 0.536 2.056 -0.915
5 HB11 AIB 2 1HB1 AIB 2 3.454 3.157 0.121
6 HB12 AIB 2 2HB1 AIB 2 3.372 4.250 -1.324
7 HB13 AIB 2 3HB1 AIB 2 3.312 4.951 0.349
8 HB21 AIB 2 1HB2 AIB 2 1.525 4.548 1.802
9 HB22 AIB 2 2HB2 AIB 2 0.932 5.836 0.671
10 HB23 AIB 2 3HB2 AIB 2 -0.134 4.425 1.080
11 H ASN 3 HN ASN 3 0.945 2.809 -2.562
12 HA ASN 3 HA ASN 3 0.792 5.187 -4.129
13 HB2 ASN 3 2HB ASN 3 -0.217 2.425 -4.841
14 HB3 ASN 3 3HB ASN 3 0.174 3.728 -5.959
15 HD21 ASN 3 1HD2 ASN 3 1.323 1.033 -4.297
16 HD22 ASN 3 2HD2 ASN 3 2.998 1.194 -4.690
17 H ILE 4 HN ILE 4 -1.428 3.488 -2.160
18 HA ILE 4 HA ILE 4 -3.806 4.411 -3.502
19 HB ILE 4 HB ILE 4 -3.602 3.272 -0.717
20 HG12 ILE 4 2HG1 ILE 4 -4.006 1.818 -3.340
21 HG13 ILE 4 3HG1 ILE 4 -2.557 1.749 -2.343
22 HG21 ILE 4 1HG2 ILE 4 -5.806 3.509 -0.650
23 HG22 ILE 4 2HG2 ILE 4 -5.752 4.320 -2.214
24 HG23 ILE 4 3HG2 ILE 4 -5.975 2.572 -2.135
25 HD11 ILE 4 1HD1 ILE 4 -4.524 1.028 -0.584
26 HD12 ILE 4 2HD1 ILE 4 -5.069 0.307 -2.099
27 HD13 ILE 4 3HD1 ILE 4 -3.469 -0.077 -1.464
28 H ILE 5 HN ILE 5 -1.735 5.502 -0.931
29 HA ILE 5 HA ILE 5 -3.532 7.320 0.288
30 HB ILE 5 HB ILE 5 -0.519 7.231 0.228
31 HG12 ILE 5 2HG1 ILE 5 -1.820 5.429 1.431
32 HG13 ILE 5 3HG1 ILE 5 -0.694 6.336 2.436
33 HG21 ILE 5 1HG2 ILE 5 -1.003 9.511 0.575
34 HG22 ILE 5 2HG2 ILE 5 -2.365 9.142 1.632
35 HG23 ILE 5 3HG2 ILE 5 -0.716 8.840 2.180
36 HD11 ILE 5 1HD1 ILE 5 -3.084 5.812 3.297
37 HD12 ILE 5 2HD1 ILE 5 -2.374 7.401 3.585
38 HD13 ILE 5 3HD1 ILE 5 -3.547 7.182 2.287
39 H AIB 6 HN AIB 6 -1.530 7.375 -2.571
40 HB11 AIB 6 1HB1 AIB 6 -1.567 9.191 -5.540
41 HB12 AIB 6 2HB1 AIB 6 -0.026 9.398 -4.605
42 HB13 AIB 6 3HB1 AIB 6 -0.920 7.819 -4.546
43 HB21 AIB 6 1HB2 AIB 6 -1.824 11.186 -2.136
44 HB22 AIB 6 2HB2 AIB 6 -0.258 10.271 -2.165
45 HB23 AIB 6 3HB2 AIB 6 -0.741 11.289 -3.587
46 HA PRO 7 HA PRO 7 -5.338 10.175 -5.584
47 HB2 PRO 7 2HB PRO 7 -6.834 7.911 -5.644
48 HB3 PRO 7 3HB PRO 7 -5.538 8.237 -6.801
49 HG2 PRO 7 2HG PRO 7 -5.496 6.532 -4.341
50 HG3 PRO 7 3HG PRO 7 -4.813 6.201 -5.943
51 HD2 PRO 7 2HD PRO 7 -3.304 7.060 -3.865
52 HD3 PRO 7 3HD PRO 7 -2.941 7.487 -5.549
53 H LEU 8 HN LEU 8 -5.074 8.669 -2.508
54 HA LEU 8 HA LEU 8 -7.713 8.747 -1.599
55 HB2 LEU 8 2HB LEU 8 -5.125 8.320 -0.498
56 HB3 LEU 8 3HB LEU 8 -5.988 9.452 0.542
57 HG LEU 8 HG LEU 8 -6.839 6.656 -0.205
58 HD11 LEU 8 1HD1 LEU 8 -6.803 6.628 2.426
59 HD12 LEU 8 2HD1 LEU 8 -5.639 7.932 2.198
60 HD13 LEU 8 3HD1 LEU 8 -5.336 6.347 1.488
61 HD21 LEU 8 1HD2 LEU 8 -8.296 8.869 1.205
62 HD22 LEU 8 2HD2 LEU 8 -8.676 7.172 1.498
63 HD23 LEU 8 3HD2 LEU 8 -8.851 7.848 -0.122
64 H LEU 9 HN LEU 9 -5.196 11.238 -1.556
65 HA LEU 9 HA LEU 9 -7.263 13.201 -0.810
66 HB2 LEU 9 2HB LEU 9 -4.339 13.680 -0.414
67 HB3 LEU 9 3HB LEU 9 -5.710 14.434 0.398
68 HG LEU 9 HG LEU 9 -4.715 11.619 0.842
69 HD11 LEU 9 1HD1 LEU 9 -4.702 13.351 3.134
70 HD12 LEU 9 2HD1 LEU 9 -3.746 14.050 1.828
71 HD13 LEU 9 3HD1 LEU 9 -3.381 12.429 2.417
72 HD21 LEU 9 1HD2 LEU 9 -7.192 11.977 1.080
73 HD22 LEU 9 2HD2 LEU 9 -6.829 13.119 2.374
74 HD23 LEU 9 3HD2 LEU 9 -6.366 11.425 2.538
75 H AIB 10 HN AIB 10 -6.360 12.075 -3.463
76 HB11 AIB 10 1HB1 AIB 10 -6.652 11.845 -5.613
77 HB12 AIB 10 2HB1 AIB 10 -6.437 13.131 -6.875
78 HB13 AIB 10 3HB1 AIB 10 -4.993 12.240 -6.231
79 HB21 AIB 10 1HB2 AIB 10 -3.710 13.566 -4.427
80 HB22 AIB 10 2HB2 AIB 10 -4.099 14.428 -5.975
81 HB23 AIB 10 3HB2 AIB 10 -4.380 15.251 -4.382
82 HA PRO 11 HA PRO 11 -8.963 16.151 -6.254
83 HB2 PRO 11 2HB PRO 11 -11.263 15.395 -5.026
84 HB3 PRO 11 3HB PRO 11 -10.657 14.618 -6.493
85 HG2 PRO 11 2HG PRO 11 -10.430 13.726 -3.644
86 HG3 PRO 11 3HG PRO 11 -10.810 12.771 -5.089
87 HD2 PRO 11 2HD PRO 11 -8.344 12.803 -3.972
88 HD3 PRO 11 3HD PRO 11 -8.599 12.608 -5.718
89 HN1 DCL 12 HN DCL 12 -8.132 15.294 -3.030
90 HA DCL 12 HA DCL 12 -9.628 17.447 -1.591
91 HC1 DCL 12 2HB1 DCL 12 -6.606 17.978 -1.950
92 HC2 DCL 12 3HB1 DCL 12 -7.847 18.721 -3.045
93 HB1 DCL 12 2HB DCL 12 -7.270 15.604 -0.938
94 HB2 DCL 12 3HB DCL 12 -7.702 16.977 0.167
95 HG DCL 12 HG DCL 12 -9.666 14.803 -0.772
96 HD11 DCL 12 1HD1 DCL 12 -10.818 15.773 1.431
97 HD12 DCL 12 2HD1 DCL 12 -9.718 17.192 1.166
98 HD13 DCL 12 3HD1 DCL 12 -10.926 16.728 -0.108
99 HD21 DCL 12 1HD2 DCL 12 -8.626 13.440 0.708
100 HD22 DCL 12 2HD2 DCL 12 -7.608 14.793 1.362
101 HD23 DCL 12 3HD2 DCL 12 -9.286 14.526 2.003
102 HXT DCL 12 4H1 DCL 12 -8.224 20.201 -1.358
Start of MODEL 17
1 H1 ACE 1 1H1 ACE 1 1.558 -0.355 1.685
2 H2 ACE 1 2H1 ACE 1 -0.099 0.218 1.377
3 H3 ACE 1 3H1 ACE 1 0.995 -0.116 0.013
4 H AIB 2 HN AIB 2 0.472 1.956 -0.746
5 HB11 AIB 2 1HB1 AIB 2 3.344 3.750 0.916
6 HB12 AIB 2 2HB1 AIB 2 3.395 3.221 -0.819
7 HB13 AIB 2 3HB1 AIB 2 3.274 4.985 -0.411
8 HB21 AIB 2 1HB2 AIB 2 1.469 4.437 1.970
9 HB22 AIB 2 2HB2 AIB 2 0.916 5.737 0.832
10 HB23 AIB 2 3HB2 AIB 2 -0.184 4.349 1.229
11 H ASN 3 HN ASN 3 0.907 2.698 -2.395
12 HA ASN 3 HA ASN 3 0.791 5.072 -3.970
13 HB2 ASN 3 2HB ASN 3 0.079 2.192 -4.508
14 HB3 ASN 3 3HB ASN 3 -0.169 3.454 -5.711
15 HD21 ASN 3 1HD2 ASN 3 1.667 1.067 -5.475
16 HD22 ASN 3 2HD2 ASN 3 3.232 1.703 -5.835
17 H ILE 4 HN ILE 4 -1.462 3.402 -2.014
18 HA ILE 4 HA ILE 4 -3.822 4.339 -3.376
19 HB ILE 4 HB ILE 4 -3.646 3.230 -0.576
20 HG12 ILE 4 2HG1 ILE 4 -2.610 1.660 -2.142
21 HG13 ILE 4 3HG1 ILE 4 -4.158 1.039 -1.579
22 HG21 ILE 4 1HG2 ILE 4 -6.022 2.446 -1.740
23 HG22 ILE 4 2HG2 ILE 4 -5.812 3.755 -0.579
24 HG23 ILE 4 3HG2 ILE 4 -5.807 4.101 -2.308
25 HD11 ILE 4 1HD1 ILE 4 -5.153 1.956 -3.705
26 HD12 ILE 4 2HD1 ILE 4 -3.499 2.219 -4.257
27 HD13 ILE 4 3HD1 ILE 4 -4.055 0.588 -3.884
28 H ILE 5 HN ILE 5 -1.748 5.448 -0.818
29 HA ILE 5 HA ILE 5 -3.533 7.291 0.380
30 HB ILE 5 HB ILE 5 -0.521 7.182 0.319
31 HG12 ILE 5 2HG1 ILE 5 -1.840 5.407 1.548
32 HG13 ILE 5 3HG1 ILE 5 -0.698 6.313 2.534
33 HG21 ILE 5 1HG2 ILE 5 -0.980 9.468 0.637
34 HG22 ILE 5 2HG2 ILE 5 -2.354 9.128 1.688
35 HG23 ILE 5 3HG2 ILE 5 -0.713 8.817 2.254
36 HD11 ILE 5 1HD1 ILE 5 -2.338 7.344 3.728
37 HD12 ILE 5 2HD1 ILE 5 -3.504 7.265 2.407
38 HD13 ILE 5 3HD1 ILE 5 -3.144 5.821 3.352
39 H AIB 6 HN AIB 6 -1.534 7.299 -2.481
40 HB11 AIB 6 1HB1 AIB 6 -1.607 8.986 -5.464
41 HB12 AIB 6 2HB1 AIB 6 -0.059 9.366 -4.598
42 HB13 AIB 6 3HB1 AIB 6 -0.829 7.733 -4.408
43 HB21 AIB 6 1HB2 AIB 6 -1.811 11.116 -2.092
44 HB22 AIB 6 2HB2 AIB 6 -0.247 10.195 -2.111
45 HB23 AIB 6 3HB2 AIB 6 -0.728 11.199 -3.545
46 HA PRO 7 HA PRO 7 -5.326 10.076 -5.532
47 HB2 PRO 7 2HB PRO 7 -6.832 7.816 -5.564
48 HB3 PRO 7 3HB PRO 7 -5.533 8.122 -6.724
49 HG2 PRO 7 2HG PRO 7 -5.500 6.450 -4.241
50 HG3 PRO 7 3HG PRO 7 -4.817 6.095 -5.838
51 HD2 PRO 7 2HD PRO 7 -3.306 6.975 -3.770
52 HD3 PRO 7 3HD PRO 7 -2.940 7.379 -5.460
53 H LEU 8 HN LEU 8 -5.070 8.609 -2.437
54 HA LEU 8 HA LEU 8 -7.710 8.708 -1.530
55 HB2 LEU 8 2HB LEU 8 -5.123 8.288 -0.421
56 HB3 LEU 8 3HB LEU 8 -5.984 9.437 0.602
57 HG LEU 8 HG LEU 8 -6.843 6.634 -0.106
58 HD11 LEU 8 1HD1 LEU 8 -6.825 6.830 2.596
59 HD12 LEU 8 2HD1 LEU 8 -5.479 7.887 2.171
60 HD13 LEU 8 3HD1 LEU 8 -5.486 6.209 1.630
61 HD21 LEU 8 1HD2 LEU 8 -8.656 7.222 1.639
62 HD22 LEU 8 2HD2 LEU 8 -8.867 7.764 -0.026
63 HD23 LEU 8 3HD2 LEU 8 -8.303 8.895 1.206
64 H LEU 9 HN LEU 9 -5.185 11.192 -1.516
65 HA LEU 9 HA LEU 9 -7.248 13.171 -0.801
66 HB2 LEU 9 2HB LEU 9 -4.324 13.044 -0.137
67 HB3 LEU 9 3HB LEU 9 -5.228 14.554 -0.055
68 HG LEU 9 HG LEU 9 -6.783 12.909 1.461
69 HD11 LEU 9 1HD1 LEU 9 -5.570 11.419 2.711
70 HD12 LEU 9 2HD1 LEU 9 -4.038 12.235 2.402
71 HD13 LEU 9 3HD1 LEU 9 -4.782 11.249 1.143
72 HD21 LEU 9 1HD2 LEU 9 -6.040 14.182 3.297
73 HD22 LEU 9 2HD2 LEU 9 -5.859 15.232 1.892
74 HD23 LEU 9 3HD2 LEU 9 -4.446 14.432 2.583
75 H AIB 10 HN AIB 10 -6.340 12.006 -3.437
76 HB11 AIB 10 1HB1 AIB 10 -6.422 13.019 -6.859
77 HB12 AIB 10 2HB1 AIB 10 -4.975 12.134 -6.213
78 HB13 AIB 10 3HB1 AIB 10 -6.632 11.749 -5.581
79 HB21 AIB 10 1HB2 AIB 10 -4.326 15.123 -4.338
80 HB22 AIB 10 2HB2 AIB 10 -3.674 13.436 -4.482
81 HB23 AIB 10 3HB2 AIB 10 -4.094 14.379 -5.975
82 HA PRO 11 HA PRO 11 -8.918 16.065 -6.280
83 HB2 PRO 11 2HB PRO 11 -11.224 15.343 -5.042
84 HB3 PRO 11 3HB PRO 11 -10.623 14.541 -6.499
85 HG2 PRO 11 2HG PRO 11 -10.402 13.686 -3.639
86 HG3 PRO 11 3HG PRO 11 -10.790 12.714 -5.070
87 HD2 PRO 11 2HD PRO 11 -8.323 12.744 -3.954
88 HD3 PRO 11 3HD PRO 11 -8.580 12.527 -5.697
89 HN1 DCL 12 HN DCL 12 -8.103 15.240 -3.042
90 HA DCL 12 HA DCL 12 -9.568 17.470 -1.666
91 HC1 DCL 12 2HB1 DCL 12 -6.628 18.027 -1.479
92 HC2 DCL 12 3HB1 DCL 12 -7.307 18.295 -3.140
93 HB1 DCL 12 2HB DCL 12 -7.318 15.531 -0.909
94 HB2 DCL 12 3HB DCL 12 -7.745 16.928 0.168
95 HG DCL 12 HG DCL 12 -9.744 14.816 -0.837
96 HD11 DCL 12 1HD1 DCL 12 -10.902 15.876 1.360
97 HD12 DCL 12 2HD1 DCL 12 -9.802 17.273 0.993
98 HD13 DCL 12 3HD1 DCL 12 -11.018 16.725 -0.240
99 HD21 DCL 12 1HD2 DCL 12 -7.901 14.897 1.554
100 HD22 DCL 12 2HD2 DCL 12 -9.616 14.379 1.849
101 HD23 DCL 12 3HD2 DCL 12 -8.590 13.486 0.646
102 HXT DCL 12 4H1 DCL 12 -8.255 20.177 -2.281
Start of MODEL 18
1 H1 ACE 1 1H1 ACE 1 -0.026 0.249 0.512
2 H2 ACE 1 2H1 ACE 1 1.646 -0.280 0.208
3 H3 ACE 1 3H1 ACE 1 1.031 -0.186 1.876
4 H AIB 2 HN AIB 2 0.564 2.011 -0.859
5 HB11 AIB 2 1HB1 AIB 2 3.370 3.788 0.928
6 HB12 AIB 2 2HB1 AIB 2 3.474 3.307 -0.819
7 HB13 AIB 2 3HB1 AIB 2 3.323 5.058 -0.367
8 HB21 AIB 2 1HB2 AIB 2 0.926 5.753 0.831
9 HB22 AIB 2 2HB2 AIB 2 -0.171 4.346 1.160
10 HB23 AIB 2 3HB2 AIB 2 1.462 4.428 1.948
11 H ASN 3 HN ASN 3 1.034 2.802 -2.475
12 HA ASN 3 HA ASN 3 0.937 5.216 -3.989
13 HB2 ASN 3 2HB ASN 3 0.261 3.759 -5.860
14 HB3 ASN 3 3HB ASN 3 1.662 3.115 -5.008
15 HD21 ASN 3 1HD2 ASN 3 -1.459 2.504 -6.114
16 HD22 ASN 3 2HD2 ASN 3 -1.698 0.971 -5.353
17 H ILE 4 HN ILE 4 -1.351 3.472 -2.140
18 HA ILE 4 HA ILE 4 -3.683 4.422 -3.541
19 HB ILE 4 HB ILE 4 -3.546 3.222 -0.775
20 HG12 ILE 4 2HG1 ILE 4 -4.455 1.229 -2.396
21 HG13 ILE 4 3HG1 ILE 4 -3.296 2.020 -3.459
22 HG21 ILE 4 1HG2 ILE 4 -5.914 2.611 -2.253
23 HG22 ILE 4 2HG2 ILE 4 -5.750 3.469 -0.723
24 HG23 ILE 4 3HG2 ILE 4 -5.663 4.356 -2.244
25 HD11 ILE 4 1HD1 ILE 4 -2.804 0.168 -1.392
26 HD12 ILE 4 2HD1 ILE 4 -1.639 0.984 -2.435
27 HD13 ILE 4 3HD1 ILE 4 -2.107 1.710 -0.897
28 H ILE 5 HN ILE 5 -1.690 5.484 -0.900
29 HA ILE 5 HA ILE 5 -3.526 7.277 0.297
30 HB ILE 5 HB ILE 5 -0.512 7.200 0.314
31 HG12 ILE 5 2HG1 ILE 5 -1.845 5.380 1.461
32 HG13 ILE 5 3HG1 ILE 5 -0.739 6.271 2.501
33 HG21 ILE 5 1HG2 ILE 5 -0.993 8.737 2.408
34 HG22 ILE 5 2HG2 ILE 5 -0.780 9.415 0.795
35 HG23 ILE 5 3HG2 ILE 5 -2.402 9.192 1.449
36 HD11 ILE 5 1HD1 ILE 5 -3.267 5.737 3.160
37 HD12 ILE 5 2HD1 ILE 5 -2.404 7.168 3.725
38 HD13 ILE 5 3HD1 ILE 5 -3.502 7.286 2.351
39 H AIB 6 HN AIB 6 -1.451 7.380 -2.508
40 HB11 AIB 6 1HB1 AIB 6 0.120 9.387 -4.433
41 HB12 AIB 6 2HB1 AIB 6 -0.843 7.850 -4.496
42 HB13 AIB 6 3HB1 AIB 6 -1.380 9.298 -5.450
43 HB21 AIB 6 1HB2 AIB 6 -0.164 10.284 -2.084
44 HB22 AIB 6 2HB2 AIB 6 -0.720 11.348 -3.444
45 HB23 AIB 6 3HB2 AIB 6 -1.759 11.139 -1.971
46 HA PRO 7 HA PRO 7 -5.190 10.198 -5.586
47 HB2 PRO 7 2HB PRO 7 -6.670 7.926 -5.717
48 HB3 PRO 7 3HB PRO 7 -5.345 8.275 -6.834
49 HG2 PRO 7 2HG PRO 7 -5.360 6.538 -4.395
50 HG3 PRO 7 3HG PRO 7 -4.631 6.232 -5.982
51 HD2 PRO 7 2HD PRO 7 -3.185 7.072 -3.852
52 HD3 PRO 7 3HD PRO 7 -2.779 7.524 -5.520
53 H LEU 8 HN LEU 8 -5.002 8.653 -2.524
54 HA LEU 8 HA LEU 8 -7.665 8.702 -1.687
55 HB2 LEU 8 2HB LEU 8 -5.104 8.280 -0.520
56 HB3 LEU 8 3HB LEU 8 -6.004 9.393 0.509
57 HG LEU 8 HG LEU 8 -6.813 6.601 -0.293
58 HD11 LEU 8 1HD1 LEU 8 -6.032 7.842 2.339
59 HD12 LEU 8 2HD1 LEU 8 -5.149 6.611 1.437
60 HD13 LEU 8 3HD1 LEU 8 -6.713 6.226 2.155
61 HD21 LEU 8 1HD2 LEU 8 -8.424 8.853 0.500
62 HD22 LEU 8 2HD2 LEU 8 -8.516 7.564 1.700
63 HD23 LEU 8 3HD2 LEU 8 -8.921 7.231 0.016
64 H LEU 9 HN LEU 9 -5.168 11.210 -1.540
65 HA LEU 9 HA LEU 9 -7.272 13.149 -0.831
66 HB2 LEU 9 2HB LEU 9 -4.327 13.213 -0.194
67 HB3 LEU 9 3HB LEU 9 -5.454 14.527 0.135
68 HG LEU 9 HG LEU 9 -6.564 12.279 1.372
69 HD11 LEU 9 1HD1 LEU 9 -4.005 11.558 0.978
70 HD12 LEU 9 2HD1 LEU 9 -4.955 11.065 2.380
71 HD13 LEU 9 3HD1 LEU 9 -3.846 12.432 2.503
72 HD21 LEU 9 1HD2 LEU 9 -4.878 14.277 2.826
73 HD22 LEU 9 2HD2 LEU 9 -6.425 13.568 3.289
74 HD23 LEU 9 3HD2 LEU 9 -6.359 14.783 2.012
75 H AIB 10 HN AIB 10 -6.280 12.063 -3.471
76 HB11 AIB 10 1HB1 AIB 10 -4.840 12.291 -6.218
77 HB12 AIB 10 2HB1 AIB 10 -6.495 11.849 -5.621
78 HB13 AIB 10 3HB1 AIB 10 -6.297 13.160 -6.861
79 HB21 AIB 10 1HB2 AIB 10 -4.290 15.260 -4.299
80 HB22 AIB 10 2HB2 AIB 10 -3.615 13.577 -4.337
81 HB23 AIB 10 3HB2 AIB 10 -3.962 14.451 -5.889
82 HA PRO 11 HA PRO 11 -8.822 16.171 -6.276
83 HB2 PRO 11 2HB PRO 11 -11.152 15.396 -5.119
84 HB3 PRO 11 3HB PRO 11 -10.506 14.638 -6.579
85 HG2 PRO 11 2HG PRO 11 -10.352 13.711 -3.737
86 HG3 PRO 11 3HG PRO 11 -10.692 12.773 -5.203
87 HD2 PRO 11 2HD PRO 11 -8.256 12.796 -4.021
88 HD3 PRO 11 3HD PRO 11 -8.464 12.622 -5.775
89 HN1 DCL 12 HN DCL 12 -8.088 15.268 -3.038
90 HA DCL 12 HA DCL 12 -9.610 17.449 -1.647
91 HC1 DCL 12 2HB1 DCL 12 -6.550 17.842 -1.856
92 HC2 DCL 12 3HB1 DCL 12 -7.718 18.685 -2.959
93 HB1 DCL 12 2HB DCL 12 -7.364 15.510 -0.877
94 HB2 DCL 12 3HB DCL 12 -7.835 16.874 0.223
95 HG DCL 12 HG DCL 12 -9.785 14.774 -0.893
96 HD11 DCL 12 1HD1 DCL 12 -10.661 15.990 1.570
97 HD12 DCL 12 2HD1 DCL 12 -10.023 17.343 0.543
98 HD13 DCL 12 3HD1 DCL 12 -11.337 16.263 -0.091
99 HD21 DCL 12 1HD2 DCL 12 -8.955 14.901 2.028
100 HD22 DCL 12 2HD2 DCL 12 -9.578 13.506 1.048
101 HD23 DCL 12 3HD2 DCL 12 -7.865 14.071 0.839
102 HXT DCL 12 4H1 DCL 12 -8.076 20.121 -1.230
Start of MODEL 19
1 H1 ACE 1 1H1 ACE 1 1.781 -0.412 1.196
2 H2 ACE 1 2H1 ACE 1 0.218 0.118 1.863
3 H3 ACE 1 3H1 ACE 1 0.460 0.059 0.100
4 H AIB 2 HN AIB 2 0.467 1.941 -0.739
5 HB11 AIB 2 1HB1 AIB 2 3.406 3.009 0.273
6 HB12 AIB 2 2HB1 AIB 2 3.338 4.080 -1.190
7 HB13 AIB 2 3HB1 AIB 2 3.294 4.808 0.472
8 HB21 AIB 2 1HB2 AIB 2 0.935 5.739 0.787
9 HB22 AIB 2 2HB2 AIB 2 -0.159 4.357 1.218
10 HB23 AIB 2 3HB2 AIB 2 1.505 4.457 1.936
11 H ASN 3 HN ASN 3 0.885 2.662 -2.399
12 HA ASN 3 HA ASN 3 0.767 5.017 -4.003
13 HB2 ASN 3 2HB ASN 3 0.223 2.109 -4.442
14 HB3 ASN 3 3HB ASN 3 -0.364 3.269 -5.629
15 HD21 ASN 3 1HD2 ASN 3 2.109 1.277 -4.912
16 HD22 ASN 3 2HD2 ASN 3 3.385 2.055 -5.779
17 H ILE 4 HN ILE 4 -1.476 3.387 -2.001
18 HA ILE 4 HA ILE 4 -3.842 4.329 -3.352
19 HB ILE 4 HB ILE 4 -3.582 3.174 -0.574
20 HG12 ILE 4 2HG1 ILE 4 -2.759 1.615 -2.280
21 HG13 ILE 4 3HG1 ILE 4 -4.280 1.052 -1.596
22 HG21 ILE 4 1HG2 ILE 4 -5.793 4.286 -2.047
23 HG22 ILE 4 2HG2 ILE 4 -6.084 2.591 -1.660
24 HG23 ILE 4 3HG2 ILE 4 -5.721 3.740 -0.372
25 HD11 ILE 4 1HD1 ILE 4 -5.427 2.051 -3.586
26 HD12 ILE 4 2HD1 ILE 4 -3.828 2.321 -4.279
27 HD13 ILE 4 3HD1 ILE 4 -4.372 0.680 -3.929
28 H ILE 5 HN ILE 5 -1.743 5.431 -0.808
29 HA ILE 5 HA ILE 5 -3.504 7.299 0.386
30 HB ILE 5 HB ILE 5 -0.493 7.159 0.316
31 HG12 ILE 5 2HG1 ILE 5 -1.822 5.402 1.557
32 HG13 ILE 5 3HG1 ILE 5 -0.674 6.305 2.539
33 HG21 ILE 5 1HG2 ILE 5 -0.855 8.771 2.362
34 HG22 ILE 5 2HG2 ILE 5 -0.725 9.399 0.721
35 HG23 ILE 5 3HG2 ILE 5 -2.310 9.213 1.470
36 HD11 ILE 5 1HD1 ILE 5 -3.374 7.436 2.461
37 HD12 ILE 5 2HD1 ILE 5 -3.249 5.845 3.211
38 HD13 ILE 5 3HD1 ILE 5 -2.280 7.186 3.821
39 H AIB 6 HN AIB 6 -1.514 7.271 -2.482
40 HB11 AIB 6 1HB1 AIB 6 -1.468 9.137 -5.484
41 HB12 AIB 6 2HB1 AIB 6 0.051 9.138 -4.491
42 HB13 AIB 6 3HB1 AIB 6 -1.007 7.664 -4.531
43 HB21 AIB 6 1HB2 AIB 6 -0.191 10.152 -2.134
44 HB22 AIB 6 2HB2 AIB 6 -0.667 11.155 -3.568
45 HB23 AIB 6 3HB2 AIB 6 -1.743 11.089 -2.108
46 HA PRO 7 HA PRO 7 -5.288 10.079 -5.529
47 HB2 PRO 7 2HB PRO 7 -6.822 7.839 -5.543
48 HB3 PRO 7 3HB PRO 7 -5.525 8.123 -6.711
49 HG2 PRO 7 2HG PRO 7 -5.501 6.462 -4.220
50 HG3 PRO 7 3HG PRO 7 -4.829 6.091 -5.819
51 HD2 PRO 7 2HD PRO 7 -3.298 6.962 -3.762
52 HD3 PRO 7 3HD PRO 7 -2.935 7.353 -5.456
53 H LEU 8 HN LEU 8 -5.036 8.624 -2.428
54 HA LEU 8 HA LEU 8 -7.671 8.762 -1.511
55 HB2 LEU 8 2HB LEU 8 -5.086 8.308 -0.412
56 HB3 LEU 8 3HB LEU 8 -5.926 9.471 0.612
57 HG LEU 8 HG LEU 8 -6.827 6.679 -0.086
58 HD11 LEU 8 1HD1 LEU 8 -5.681 7.985 2.345
59 HD12 LEU 8 2HD1 LEU 8 -5.260 6.446 1.594
60 HD13 LEU 8 3HD1 LEU 8 -6.762 6.601 2.504
61 HD21 LEU 8 1HD2 LEU 8 -8.901 7.447 0.200
62 HD22 LEU 8 2HD2 LEU 8 -8.331 9.008 0.790
63 HD23 LEU 8 3HD2 LEU 8 -8.476 7.644 1.900
64 H LEU 9 HN LEU 9 -5.111 11.209 -1.525
65 HA LEU 9 HA LEU 9 -7.139 13.220 -0.798
66 HB2 LEU 9 2HB LEU 9 -4.277 12.910 -0.042
67 HB3 LEU 9 3HB LEU 9 -4.937 14.537 -0.193
68 HG LEU 9 HG LEU 9 -6.539 14.106 1.549
69 HD11 LEU 9 1HD1 LEU 9 -7.169 11.865 1.214
70 HD12 LEU 9 2HD1 LEU 9 -6.384 11.902 2.792
71 HD13 LEU 9 3HD1 LEU 9 -5.511 11.287 1.389
72 HD21 LEU 9 1HD2 LEU 9 -4.843 13.340 3.390
73 HD22 LEU 9 2HD2 LEU 9 -4.625 14.879 2.557
74 HD23 LEU 9 3HD2 LEU 9 -3.673 13.474 2.077
75 H AIB 10 HN AIB 10 -6.270 12.032 -3.438
76 HB11 AIB 10 1HB1 AIB 10 -6.379 13.021 -6.857
77 HB12 AIB 10 2HB1 AIB 10 -4.913 12.150 -6.238
78 HB13 AIB 10 3HB1 AIB 10 -6.554 11.753 -5.571
79 HB21 AIB 10 1HB2 AIB 10 -4.015 14.373 -6.001
80 HB22 AIB 10 2HB2 AIB 10 -4.233 15.127 -4.366
81 HB23 AIB 10 3HB2 AIB 10 -3.595 13.434 -4.508
82 HA PRO 11 HA PRO 11 -8.828 16.095 -6.288
83 HB2 PRO 11 2HB PRO 11 -11.134 15.392 -5.040
84 HB3 PRO 11 3HB PRO 11 -10.544 14.581 -6.496
85 HG2 PRO 11 2HG PRO 11 -10.318 13.734 -3.634
86 HG3 PRO 11 3HG PRO 11 -10.718 12.760 -5.061
87 HD2 PRO 11 2HD PRO 11 -8.247 12.777 -3.954
88 HD3 PRO 11 3HD PRO 11 -8.511 12.556 -5.695
89 HN1 DCL 12 HN DCL 12 -8.169 15.203 -2.996
90 HA DCL 12 HA DCL 12 -9.547 17.518 -1.685
91 HC1 DCL 12 2HB1 DCL 12 -6.538 17.838 -1.490
92 HC2 DCL 12 3HB1 DCL 12 -7.290 18.319 -3.070
93 HB1 DCL 12 2HB DCL 12 -7.416 15.483 -0.826
94 HB2 DCL 12 3HB DCL 12 -7.875 16.880 0.237
95 HG DCL 12 HG DCL 12 -9.856 14.828 -0.915
96 HD11 DCL 12 1HD1 DCL 12 -10.907 16.025 1.416
97 HD12 DCL 12 2HD1 DCL 12 -10.010 17.394 0.632
98 HD13 DCL 12 3HD1 DCL 12 -11.306 16.514 -0.285
99 HD21 DCL 12 1HD2 DCL 12 -8.355 14.957 1.749
100 HD22 DCL 12 2HD2 DCL 12 -9.979 14.158 1.613
101 HD23 DCL 12 3HD2 DCL 12 -8.583 13.553 0.623
102 HXT DCL 12 4H1 DCL 12 -8.037 20.169 -1.974
Start of MODEL 20
1 H1 ACE 1 1H1 ACE 1 0.753 0.311 2.188
2 H2 ACE 1 2H1 ACE 1 0.218 0.454 0.496
3 H3 ACE 1 3H1 ACE 1 1.903 0.012 0.862
4 H AIB 2 HN AIB 2 0.489 2.215 -0.654
5 HB11 AIB 2 1HB1 AIB 2 3.199 4.554 -1.094
6 HB12 AIB 2 2HB1 AIB 2 3.067 5.311 0.550
7 HB13 AIB 2 3HB1 AIB 2 3.318 3.520 0.393
8 HB21 AIB 2 1HB2 AIB 2 0.661 6.066 0.819
9 HB22 AIB 2 2HB2 AIB 2 -0.364 4.627 1.230
10 HB23 AIB 2 3HB2 AIB 2 1.268 4.828 1.998
11 H ASN 3 HN ASN 3 0.890 2.938 -2.322
12 HA ASN 3 HA ASN 3 0.596 5.268 -3.952
13 HB2 ASN 3 2HB ASN 3 0.268 2.316 -4.422
14 HB3 ASN 3 3HB ASN 3 -0.212 3.482 -5.652
15 HD21 ASN 3 1HD2 ASN 3 1.291 3.255 -7.172
16 HD22 ASN 3 2HD2 ASN 3 2.993 3.408 -6.921
17 H ILE 4 HN ILE 4 -1.517 3.429 -1.998
18 HA ILE 4 HA ILE 4 -3.924 4.155 -3.433
19 HB ILE 4 HB ILE 4 -3.730 2.953 -0.674
20 HG12 ILE 4 2HG1 ILE 4 -3.883 1.552 -3.352
21 HG13 ILE 4 3HG1 ILE 4 -2.490 1.566 -2.277
22 HG21 ILE 4 1HG2 ILE 4 -5.948 2.993 -0.698
23 HG22 ILE 4 2HG2 ILE 4 -5.899 3.855 -2.235
24 HG23 ILE 4 3HG2 ILE 4 -5.972 2.093 -2.214
25 HD11 ILE 4 1HD1 ILE 4 -3.272 -0.290 -1.370
26 HD12 ILE 4 2HD1 ILE 4 -4.618 0.649 -0.725
27 HD13 ILE 4 3HD1 ILE 4 -4.775 -0.163 -2.282
28 H ILE 5 HN ILE 5 -2.041 5.329 -0.755
29 HA ILE 5 HA ILE 5 -4.076 7.013 0.344
30 HB ILE 5 HB ILE 5 -1.080 7.007 0.706
31 HG12 ILE 5 2HG1 ILE 5 -3.345 6.112 2.503
32 HG13 ILE 5 3HG1 ILE 5 -2.259 5.051 1.613
33 HG21 ILE 5 1HG2 ILE 5 -1.846 9.250 1.085
34 HG22 ILE 5 2HG2 ILE 5 -3.181 8.672 2.081
35 HG23 ILE 5 3HG2 ILE 5 -1.520 8.497 2.646
36 HD11 ILE 5 1HD1 ILE 5 -1.873 6.434 4.148
37 HD12 ILE 5 2HD1 ILE 5 -1.088 4.991 3.505
38 HD13 ILE 5 3HD1 ILE 5 -0.514 6.591 3.035
39 H AIB 6 HN AIB 6 -1.731 7.201 -2.223
40 HB11 AIB 6 1HB1 AIB 6 -1.509 9.087 -5.110
41 HB12 AIB 6 2HB1 AIB 6 -0.047 9.319 -4.061
42 HB13 AIB 6 3HB1 AIB 6 -0.902 7.718 -4.086
43 HB21 AIB 6 1HB2 AIB 6 -0.461 10.031 -1.583
44 HB22 AIB 6 2HB2 AIB 6 -0.799 11.132 -2.984
45 HB23 AIB 6 3HB2 AIB 6 -2.007 10.977 -1.639
46 HA PRO 7 HA PRO 7 -5.206 10.223 -5.453
47 HB2 PRO 7 2HB PRO 7 -6.745 8.006 -5.749
48 HB3 PRO 7 3HB PRO 7 -5.339 8.343 -6.767
49 HG2 PRO 7 2HG PRO 7 -5.567 6.539 -4.389
50 HG3 PRO 7 3HG PRO 7 -4.746 6.254 -5.935
51 HD2 PRO 7 2HD PRO 7 -3.416 6.984 -3.692
52 HD3 PRO 7 3HD PRO 7 -2.888 7.470 -5.316
53 H LEU 8 HN LEU 8 -5.260 8.595 -2.432
54 HA LEU 8 HA LEU 8 -7.969 8.702 -1.764
55 HB2 LEU 8 2HB LEU 8 -5.503 8.170 -0.450
56 HB3 LEU 8 3HB LEU 8 -6.434 9.282 0.551
57 HG LEU 8 HG LEU 8 -7.270 6.539 -0.382
58 HD11 LEU 8 1HD1 LEU 8 -7.377 6.154 2.097
59 HD12 LEU 8 2HD1 LEU 8 -6.550 7.697 2.300
60 HD13 LEU 8 3HD1 LEU 8 -5.756 6.379 1.439
61 HD21 LEU 8 1HD2 LEU 8 -9.266 7.737 -0.429
62 HD22 LEU 8 2HD2 LEU 8 -8.806 8.748 0.941
63 HD23 LEU 8 3HD2 LEU 8 -9.235 7.056 1.197
64 H LEU 9 HN LEU 9 -5.416 11.128 -1.394
65 HA LEU 9 HA LEU 9 -7.501 13.111 -0.759
66 HB2 LEU 9 2HB LEU 9 -5.877 14.357 0.488
67 HB3 LEU 9 3HB LEU 9 -5.910 12.696 1.078
68 HG LEU 9 HG LEU 9 -3.872 13.153 -0.962
69 HD11 LEU 9 1HD1 LEU 9 -2.372 14.396 0.568
70 HD12 LEU 9 2HD1 LEU 9 -3.750 14.686 1.629
71 HD13 LEU 9 3HD1 LEU 9 -3.739 15.351 -0.004
72 HD21 LEU 9 1HD2 LEU 9 -4.322 11.251 0.828
73 HD22 LEU 9 2HD2 LEU 9 -3.295 12.288 1.819
74 HD23 LEU 9 3HD2 LEU 9 -2.693 11.656 0.286
75 H AIB 10 HN AIB 10 -6.383 12.065 -3.363
76 HB11 AIB 10 1HB1 AIB 10 -6.451 11.902 -5.522
77 HB12 AIB 10 2HB1 AIB 10 -6.164 13.241 -6.712
78 HB13 AIB 10 3HB1 AIB 10 -4.758 12.331 -6.013
79 HB21 AIB 10 1HB2 AIB 10 -3.869 14.494 -5.563
80 HB22 AIB 10 2HB2 AIB 10 -4.256 15.202 -3.938
81 HB23 AIB 10 3HB2 AIB 10 -3.617 13.508 -4.062
82 HA PRO 11 HA PRO 11 -8.635 16.305 -6.213
83 HB2 PRO 11 2HB PRO 11 -11.053 15.559 -5.230
84 HB3 PRO 11 3HB PRO 11 -10.331 14.823 -6.666
85 HG2 PRO 11 2HG PRO 11 -10.385 13.818 -3.847
86 HG3 PRO 11 3HG PRO 11 -10.651 12.928 -5.357
87 HD2 PRO 11 2HD PRO 11 -8.297 12.859 -4.020
88 HD3 PRO 11 3HD PRO 11 -8.395 12.736 -5.789
89 HN1 DCL 12 HN DCL 12 -8.131 15.301 -2.962
90 HA DCL 12 HA DCL 12 -9.706 17.430 -1.578
91 HC1 DCL 12 2HB1 DCL 12 -6.781 18.054 -1.231
92 HC2 DCL 12 3HB1 DCL 12 -7.436 18.437 -2.879
93 HB1 DCL 12 2HB DCL 12 -7.447 15.517 -0.793
94 HB2 DCL 12 3HB DCL 12 -7.952 16.855 0.324
95 HG DCL 12 HG DCL 12 -9.862 14.760 -0.871
96 HD11 DCL 12 1HD1 DCL 12 -10.049 17.150 1.021
97 HD12 DCL 12 2HD1 DCL 12 -11.233 16.563 -0.223
98 HD13 DCL 12 3HD1 DCL 12 -11.091 15.706 1.371
99 HD21 DCL 12 1HD2 DCL 12 -9.397 14.674 2.057
100 HD22 DCL 12 2HD2 DCL 12 -9.417 13.334 0.832
101 HD23 DCL 12 3HD2 DCL 12 -7.903 14.302 1.097
102 HXT DCL 12 4H1 DCL 12 -8.457 20.214 -1.891