Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627901 | 5mf8 RC | 34066 | 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 1.449 1.771 1.477
5 HB11 AIB 2 1HB1 AIB 2 2.999 4.356 1.723
6 HB12 AIB 2 2HB1 AIB 2 1.666 5.175 2.642
7 HB13 AIB 2 3HB1 AIB 2 1.983 3.404 2.886
8 HB21 AIB 2 1HB2 AIB 2 -0.926 4.694 0.399
9 HB22 AIB 2 2HB2 AIB 2 -0.946 3.804 1.980
10 HB23 AIB 2 3HB2 AIB 2 -0.229 5.469 1.883
11 H ASN 3 HN ASN 3 1.961 2.725 -1.100
12 HA ASN 3 HA ASN 3 3.050 5.118 -2.271
13 HB2 ASN 3 2HB ASN 3 2.982 2.219 -3.047
14 HB3 ASN 3 3HB ASN 3 3.470 3.436 -4.223
15 HD21 ASN 3 1HD2 ASN 3 4.436 1.500 -1.641
16 HD22 ASN 3 2HD2 ASN 3 6.011 2.168 -1.404
17 H ILE 4 HN ILE 4 0.077 3.439 -2.407
18 HA ILE 4 HA ILE 4 -0.677 4.512 -5.001
19 HB ILE 4 HB ILE 4 -2.300 2.918 -3.013
20 HG12 ILE 4 2HG1 ILE 4 -0.932 2.071 -5.577
21 HG13 ILE 4 3HG1 ILE 4 -0.393 1.671 -3.949
22 HG21 ILE 4 1HG2 ILE 4 -3.082 4.411 -5.314
23 HG22 ILE 4 2HG2 ILE 4 -3.306 2.693 -5.641
24 HG23 ILE 4 3HG2 ILE 4 -4.078 3.431 -4.237
25 HD11 ILE 4 1HD1 ILE 4 -1.526 -0.222 -4.316
26 HD12 ILE 4 2HD1 ILE 4 -2.932 0.752 -3.882
27 HD13 ILE 4 3HD1 ILE 4 -2.525 0.496 -5.579
28 H ILE 5 HN ILE 5 -1.313 5.072 -1.593
29 HA ILE 5 HA ILE 5 -3.444 6.924 -1.990
30 HB ILE 5 HB ILE 5 -1.637 6.561 0.403
31 HG12 ILE 5 2HG1 ILE 5 -2.909 4.537 -0.179
32 HG13 ILE 5 3HG1 ILE 5 -3.483 5.242 1.328
33 HG21 ILE 5 1HG2 ILE 5 -2.563 8.471 1.096
34 HG22 ILE 5 2HG2 ILE 5 -3.774 8.449 -0.185
35 HG23 ILE 5 3HG2 ILE 5 -4.044 7.536 1.299
36 HD11 ILE 5 1HD1 ILE 5 -4.918 4.686 -1.088
37 HD12 ILE 5 2HD1 ILE 5 -5.527 5.176 0.494
38 HD13 ILE 5 3HD1 ILE 5 -5.039 6.398 -0.681
39 H AIB 6 HN AIB 6 0.072 7.097 -1.694
40 HB11 AIB 6 1HB1 AIB 6 2.580 9.044 -1.436
41 HB12 AIB 6 2HB1 AIB 6 1.982 7.688 -2.482
42 HB13 AIB 6 3HB1 AIB 6 2.370 9.300 -3.219
43 HB21 AIB 6 1HB2 AIB 6 -0.497 10.708 -0.851
44 HB22 AIB 6 2HB2 AIB 6 0.583 9.568 0.058
45 HB23 AIB 6 3HB2 AIB 6 1.304 10.906 -0.934
46 HA PRO 7 HA PRO 7 0.067 10.975 -5.889
47 HB2 PRO 7 2HB PRO 7 -0.900 9.097 -7.596
48 HB3 PRO 7 3HB PRO 7 0.823 9.285 -7.249
49 HG2 PRO 7 2HG PRO 7 -1.133 7.321 -6.119
50 HG3 PRO 7 3HG PRO 7 0.532 7.053 -6.665
51 HD2 PRO 7 2HD PRO 7 -0.120 7.317 -4.050
52 HD3 PRO 7 3HD PRO 7 1.438 7.862 -4.705
53 H LEU 8 HN LEU 8 -2.333 8.577 -4.838
54 HA LEU 8 HA LEU 8 -4.558 9.787 -6.082
55 HB2 LEU 8 2HB LEU 8 -4.323 7.934 -3.724
56 HB3 LEU 8 3HB LEU 8 -5.871 8.464 -4.378
57 HG LEU 8 HG LEU 8 -3.796 6.913 -5.924
58 HD11 LEU 8 1HD1 LEU 8 -6.371 5.941 -4.695
59 HD12 LEU 8 2HD1 LEU 8 -4.758 5.616 -4.060
60 HD13 LEU 8 3HD1 LEU 8 -5.225 4.990 -5.641
61 HD21 LEU 8 1HD2 LEU 8 -6.658 7.628 -6.553
62 HD22 LEU 8 2HD2 LEU 8 -5.619 6.589 -7.528
63 HD23 LEU 8 3HD2 LEU 8 -5.222 8.296 -7.328
64 H LEU 9 HN LEU 9 -2.715 10.717 -3.396
65 HA LEU 9 HA LEU 9 -4.735 12.004 -1.861
66 HB2 LEU 9 2HB LEU 9 -2.588 11.363 -0.906
67 HB3 LEU 9 3HB LEU 9 -1.761 12.487 -1.983
68 HG LEU 9 HG LEU 9 -3.216 14.287 -0.796
69 HD11 LEU 9 1HD1 LEU 9 -3.602 13.665 1.601
70 HD12 LEU 9 2HD1 LEU 9 -3.346 11.983 1.137
71 HD13 LEU 9 3HD1 LEU 9 -4.688 12.893 0.445
72 HD21 LEU 9 1HD2 LEU 9 -1.492 14.333 1.090
73 HD22 LEU 9 2HD2 LEU 9 -0.888 14.399 -0.566
74 HD23 LEU 9 3HD2 LEU 9 -0.815 12.887 0.341
75 H AIB 10 HN AIB 10 -2.499 12.976 -4.444
76 HB11 AIB 10 1HB1 AIB 10 -2.016 13.787 -6.342
77 HB12 AIB 10 2HB1 AIB 10 -2.971 15.091 -7.167
78 HB13 AIB 10 3HB1 AIB 10 -1.493 15.518 -6.204
79 HB21 AIB 10 1HB2 AIB 10 -2.449 17.019 -4.857
80 HB22 AIB 10 2HB2 AIB 10 -3.481 16.493 -3.460
81 HB23 AIB 10 3HB2 AIB 10 -1.791 15.853 -3.633
82 HA PRO 11 HA PRO 11 -6.826 15.552 -7.121
83 HB2 PRO 11 2HB PRO 11 -7.997 13.133 -7.502
84 HB3 PRO 11 3HB PRO 11 -6.766 13.786 -8.589
85 HG2 PRO 11 2HG PRO 11 -6.473 11.788 -6.379
86 HG3 PRO 11 3HG PRO 11 -5.761 11.772 -8.003
87 HD2 PRO 11 2HD PRO 11 -4.371 12.543 -5.811
88 HD3 PRO 11 3HD PRO 11 -4.082 13.239 -7.418
89 HN1 DCL 12 HN DCL 12 -6.645 12.961 -4.677
90 HA DCL 12 HA DCL 12 -9.350 13.838 -3.518
91 HC1 DCL 12 2HB1 DCL 12 -6.916 13.429 -1.673
92 HC2 DCL 12 3HB1 DCL 12 -7.270 15.052 -2.403
93 HB1 DCL 12 2HB DCL 12 -8.000 11.309 -3.827
94 HB2 DCL 12 3HB DCL 12 -8.067 11.660 -2.048
95 HG DCL 12 HG DCL 12 -10.056 10.395 -2.739
96 HD11 DCL 12 1HD1 DCL 12 -11.419 10.977 -4.573
97 HD12 DCL 12 2HD1 DCL 12 -11.041 12.746 -4.422
98 HD13 DCL 12 3HD1 DCL 12 -9.828 11.618 -5.166
99 HD21 DCL 12 1HD2 DCL 12 -10.924 13.314 -2.329
100 HD22 DCL 12 2HD2 DCL 12 -11.779 11.799 -1.810
101 HD23 DCL 12 3HD2 DCL 12 -10.224 12.286 -1.009
102 HXT DCL 12 4H1 DCL 12 -8.882 15.245 -0.808
Start of MODEL 2
1 H1 ACE 1 1H1 ACE 1 0.687 0.033 -0.159
2 H2 ACE 1 2H1 ACE 1 -0.303 0.119 1.318
3 H3 ACE 1 3H1 ACE 1 -1.088 0.079 -0.279
4 H AIB 2 HN AIB 2 1.271 1.861 1.696
5 HB11 AIB 2 1HB1 AIB 2 2.750 3.650 2.202
6 HB12 AIB 2 2HB1 AIB 2 2.212 5.382 2.145
7 HB13 AIB 2 3HB1 AIB 2 1.382 4.209 3.254
8 HB21 AIB 2 1HB2 AIB 2 -0.299 5.625 1.953
9 HB22 AIB 2 2HB2 AIB 2 -1.029 4.796 0.514
10 HB23 AIB 2 3HB2 AIB 2 -1.055 3.987 2.139
11 H ASN 3 HN ASN 3 1.800 2.699 -0.918
12 HA ASN 3 HA ASN 3 2.950 5.014 -2.185
13 HB2 ASN 3 2HB ASN 3 3.181 2.155 -2.424
14 HB3 ASN 3 3HB ASN 3 2.897 2.862 -4.012
15 HD21 ASN 3 1HD2 ASN 3 4.570 3.686 -5.055
16 HD22 ASN 3 2HD2 ASN 3 6.113 4.041 -4.363
17 H ILE 4 HN ILE 4 -0.069 3.415 -2.244
18 HA ILE 4 HA ILE 4 -0.801 4.427 -4.873
19 HB ILE 4 HB ILE 4 -2.449 2.899 -2.855
20 HG12 ILE 4 2HG1 ILE 4 -1.071 1.986 -5.390
21 HG13 ILE 4 3HG1 ILE 4 -0.570 1.593 -3.749
22 HG21 ILE 4 1HG2 ILE 4 -4.223 3.367 -4.100
23 HG22 ILE 4 2HG2 ILE 4 -3.227 4.372 -5.151
24 HG23 ILE 4 3HG2 ILE 4 -3.430 2.657 -5.506
25 HD11 ILE 4 1HD1 ILE 4 -3.261 0.830 -3.957
26 HD12 ILE 4 2HD1 ILE 4 -2.460 0.271 -5.426
27 HD13 ILE 4 3HD1 ILE 4 -1.840 -0.208 -3.846
28 H ILE 5 HN ILE 5 -1.509 5.020 -1.474
29 HA ILE 5 HA ILE 5 -3.569 6.932 -1.947
30 HB ILE 5 HB ILE 5 -1.861 6.611 0.523
31 HG12 ILE 5 2HG1 ILE 5 -2.956 4.503 -0.057
32 HG13 ILE 5 3HG1 ILE 5 -3.704 5.209 1.372
33 HG21 ILE 5 1HG2 ILE 5 -4.118 7.498 1.513
34 HG22 ILE 5 2HG2 ILE 5 -2.929 8.616 0.848
35 HG23 ILE 5 3HG2 ILE 5 -4.333 8.149 -0.111
36 HD11 ILE 5 1HD1 ILE 5 -5.205 6.216 -0.707
37 HD12 ILE 5 2HD1 ILE 5 -4.859 4.557 -1.198
38 HD13 ILE 5 3HD1 ILE 5 -5.641 4.873 0.350
39 H AIB 6 HN AIB 6 -0.063 7.005 -1.523
40 HB11 AIB 6 1HB1 AIB 6 2.416 9.285 -2.823
41 HB12 AIB 6 2HB1 AIB 6 2.431 8.684 -1.111
42 HB13 AIB 6 3HB1 AIB 6 1.879 7.592 -2.452
43 HB21 AIB 6 1HB2 AIB 6 -0.657 10.345 -0.481
44 HB22 AIB 6 2HB2 AIB 6 0.814 9.537 0.208
45 HB23 AIB 6 3HB2 AIB 6 0.995 10.979 -0.880
46 HA PRO 7 HA PRO 7 0.189 10.889 -5.706
47 HB2 PRO 7 2HB PRO 7 -0.771 9.044 -7.451
48 HB3 PRO 7 3HB PRO 7 0.943 9.181 -7.045
49 HG2 PRO 7 2HG PRO 7 -1.107 7.272 -5.989
50 HG3 PRO 7 3HG PRO 7 0.569 6.957 -6.477
51 HD2 PRO 7 2HD PRO 7 -0.166 7.234 -3.886
52 HD3 PRO 7 3HD PRO 7 1.428 7.736 -4.485
53 H LEU 8 HN LEU 8 -2.314 8.559 -4.745
54 HA LEU 8 HA LEU 8 -4.459 9.833 -6.063
55 HB2 LEU 8 2HB LEU 8 -4.365 7.980 -3.695
56 HB3 LEU 8 3HB LEU 8 -5.870 8.545 -4.417
57 HG LEU 8 HG LEU 8 -3.771 6.953 -5.886
58 HD11 LEU 8 1HD1 LEU 8 -4.800 5.681 -4.033
59 HD12 LEU 8 2HD1 LEU 8 -5.211 5.041 -5.624
60 HD13 LEU 8 3HD1 LEU 8 -6.388 6.003 -4.731
61 HD21 LEU 8 1HD2 LEU 8 -5.727 6.582 -7.441
62 HD22 LEU 8 2HD2 LEU 8 -5.043 8.208 -7.434
63 HD23 LEU 8 3HD2 LEU 8 -6.549 7.880 -6.575
64 H LEU 9 HN LEU 9 -2.685 10.708 -3.312
65 HA LEU 9 HA LEU 9 -4.719 12.051 -1.847
66 HB2 LEU 9 2HB LEU 9 -2.627 11.349 -0.817
67 HB3 LEU 9 3HB LEU 9 -1.730 12.448 -1.863
68 HG LEU 9 HG LEU 9 -3.788 13.757 -0.239
69 HD11 LEU 9 1HD1 LEU 9 -3.123 12.061 1.364
70 HD12 LEU 9 2HD1 LEU 9 -2.494 13.638 1.839
71 HD13 LEU 9 3HD1 LEU 9 -1.424 12.448 1.098
72 HD21 LEU 9 1HD2 LEU 9 -0.994 14.205 -1.145
73 HD22 LEU 9 2HD2 LEU 9 -1.550 15.063 0.293
74 HD23 LEU 9 3HD2 LEU 9 -2.400 15.266 -1.240
75 H AIB 10 HN AIB 10 -2.367 12.960 -4.348
76 HB11 AIB 10 1HB1 AIB 10 -2.708 15.009 -7.088
77 HB12 AIB 10 2HB1 AIB 10 -1.272 15.533 -6.111
78 HB13 AIB 10 3HB1 AIB 10 -1.730 13.778 -6.182
79 HB21 AIB 10 1HB2 AIB 10 -3.212 16.392 -3.283
80 HB22 AIB 10 2HB2 AIB 10 -1.512 15.870 -3.640
81 HB23 AIB 10 3HB2 AIB 10 -2.346 17.057 -4.731
82 HA PRO 11 HA PRO 11 -6.522 15.665 -7.168
83 HB2 PRO 11 2HB PRO 11 -7.750 13.281 -7.593
84 HB3 PRO 11 3HB PRO 11 -6.463 13.899 -8.637
85 HG2 PRO 11 2HG PRO 11 -6.305 11.891 -6.422
86 HG3 PRO 11 3HG PRO 11 -5.539 11.856 -8.020
87 HD2 PRO 11 2HD PRO 11 -4.203 12.583 -5.780
88 HD3 PRO 11 3HD PRO 11 -3.838 13.272 -7.375
89 HN1 DCL 12 HN DCL 12 -6.546 13.020 -4.767
90 HA DCL 12 HA DCL 12 -9.140 14.196 -3.572
91 HC1 DCL 12 2HB1 DCL 12 -6.656 13.161 -2.025
92 HC2 DCL 12 3HB1 DCL 12 -7.167 14.896 -2.175
93 HB1 DCL 12 2HB DCL 12 -8.343 11.496 -4.255
94 HB2 DCL 12 3HB DCL 12 -8.439 11.602 -2.446
95 HG DCL 12 HG DCL 12 -10.690 12.943 -3.878
96 HD11 DCL 12 1HD1 DCL 12 -11.861 12.194 -1.978
97 HD12 DCL 12 2HD1 DCL 12 -10.960 10.619 -1.919
98 HD13 DCL 12 3HD1 DCL 12 -10.171 12.140 -1.317
99 HD21 DCL 12 1HD2 DCL 12 -10.031 10.015 -4.356
100 HD22 DCL 12 2HD2 DCL 12 -11.762 10.493 -4.091
101 HD23 DCL 12 3HD2 DCL 12 -10.812 11.233 -5.450
102 HXT DCL 12 4H1 DCL 12 -8.588 14.465 -0.451
Start of MODEL 3
1 H1 ACE 1 1H1 ACE 1 -0.729 -0.169 0.853
2 H2 ACE 1 2H1 ACE 1 -1.271 -0.114 -0.841
3 H3 ACE 1 3H1 ACE 1 0.468 -0.117 -0.463
4 H AIB 2 HN AIB 2 0.750 1.588 1.542
5 HB11 AIB 2 1HB1 AIB 2 2.255 4.078 2.070
6 HB12 AIB 2 2HB1 AIB 2 0.866 4.997 2.790
7 HB13 AIB 2 3HB1 AIB 2 1.033 3.216 3.097
8 HB21 AIB 2 1HB2 AIB 2 -1.692 3.612 1.857
9 HB22 AIB 2 2HB2 AIB 2 -0.985 5.283 1.847
10 HB23 AIB 2 3HB2 AIB 2 -1.513 4.511 0.292
11 H ASN 3 HN ASN 3 1.562 2.630 -0.916
12 HA ASN 3 HA ASN 3 2.754 5.071 -1.874
13 HB2 ASN 3 2HB ASN 3 3.102 2.227 -2.312
14 HB3 ASN 3 3HB ASN 3 3.073 3.102 -3.841
15 HD21 ASN 3 1HD2 ASN 3 4.904 3.967 -4.499
16 HD22 ASN 3 2HD2 ASN 3 6.288 4.284 -3.514
17 H ILE 4 HN ILE 4 -0.147 3.345 -2.433
18 HA ILE 4 HA ILE 4 -0.597 4.490 -5.064
19 HB ILE 4 HB ILE 4 -2.531 2.906 -3.374
20 HG12 ILE 4 2HG1 ILE 4 -1.739 1.132 -5.213
21 HG13 ILE 4 3HG1 ILE 4 -0.257 2.075 -5.105
22 HG21 ILE 4 1HG2 ILE 4 -3.980 3.335 -4.997
23 HG22 ILE 4 2HG2 ILE 4 -2.761 4.258 -5.874
24 HG23 ILE 4 3HG2 ILE 4 -2.914 2.522 -6.143
25 HD11 ILE 4 1HD1 ILE 4 -0.555 -0.002 -3.607
26 HD12 ILE 4 2HD1 ILE 4 0.114 1.473 -2.908
27 HD13 ILE 4 3HD1 ILE 4 -1.576 1.053 -2.630
28 H ILE 5 HN ILE 5 -1.657 4.943 -1.747
29 HA ILE 5 HA ILE 5 -3.753 6.776 -2.350
30 HB ILE 5 HB ILE 5 -2.237 6.372 0.231
31 HG12 ILE 5 2HG1 ILE 5 -4.884 5.259 -0.725
32 HG13 ILE 5 3HG1 ILE 5 -3.391 4.348 -0.525
33 HG21 ILE 5 1HG2 ILE 5 -4.158 7.470 1.292
34 HG22 ILE 5 2HG2 ILE 5 -3.323 8.543 0.172
35 HG23 ILE 5 3HG2 ILE 5 -4.845 7.789 -0.300
36 HD11 ILE 5 1HD1 ILE 5 -4.650 3.843 1.365
37 HD12 ILE 5 2HD1 ILE 5 -3.503 5.062 1.923
38 HD13 ILE 5 3HD1 ILE 5 -5.173 5.513 1.577
39 H AIB 6 HN AIB 6 -0.300 6.992 -1.640
40 HB11 AIB 6 1HB1 AIB 6 2.111 8.903 -1.021
41 HB12 AIB 6 2HB1 AIB 6 1.677 7.644 -2.253
42 HB13 AIB 6 3HB1 AIB 6 2.136 9.317 -2.787
43 HB21 AIB 6 1HB2 AIB 6 0.353 11.059 -0.902
44 HB22 AIB 6 2HB2 AIB 6 -1.131 10.114 -0.460
45 HB23 AIB 6 3HB2 AIB 6 0.492 9.605 0.174
46 HA PRO 7 HA PRO 7 0.111 10.990 -5.701
47 HB2 PRO 7 2HB PRO 7 -0.615 9.149 -7.560
48 HB3 PRO 7 3HB PRO 7 1.052 9.353 -7.010
49 HG2 PRO 7 2HG PRO 7 -0.985 7.326 -6.170
50 HG3 PRO 7 3HG PRO 7 0.738 7.100 -6.525
51 HD2 PRO 7 2HD PRO 7 -0.218 7.277 -3.998
52 HD3 PRO 7 3HD PRO 7 1.394 7.865 -4.452
53 H LEU 8 HN LEU 8 -2.349 8.525 -5.002
54 HA LEU 8 HA LEU 8 -4.437 9.734 -6.464
55 HB2 LEU 8 2HB LEU 8 -4.468 7.839 -4.125
56 HB3 LEU 8 3HB LEU 8 -5.918 8.336 -4.995
57 HG LEU 8 HG LEU 8 -3.602 6.916 -6.298
58 HD11 LEU 8 1HD1 LEU 8 -4.992 4.898 -6.184
59 HD12 LEU 8 2HD1 LEU 8 -6.159 5.768 -5.189
60 HD13 LEU 8 3HD1 LEU 8 -4.529 5.475 -4.583
61 HD21 LEU 8 1HD2 LEU 8 -5.432 6.384 -7.964
62 HD22 LEU 8 2HD2 LEU 8 -4.880 8.059 -7.920
63 HD23 LEU 8 3HD2 LEU 8 -6.402 7.611 -7.148
64 H LEU 9 HN LEU 9 -2.936 10.618 -3.558
65 HA LEU 9 HA LEU 9 -5.143 11.829 -2.236
66 HB2 LEU 9 2HB LEU 9 -3.110 11.196 -1.054
67 HB3 LEU 9 3HB LEU 9 -2.185 12.362 -1.998
68 HG LEU 9 HG LEU 9 -4.323 13.730 -0.691
69 HD11 LEU 9 1HD1 LEU 9 -2.541 12.327 1.272
70 HD12 LEU 9 2HD1 LEU 9 -4.117 11.678 0.820
71 HD13 LEU 9 3HD1 LEU 9 -4.002 13.267 1.576
72 HD21 LEU 9 1HD2 LEU 9 -2.639 15.176 -0.048
73 HD22 LEU 9 2HD2 LEU 9 -1.955 14.432 -1.493
74 HD23 LEU 9 3HD2 LEU 9 -1.445 13.886 0.105
75 H AIB 10 HN AIB 10 -2.643 12.908 -4.515
76 HB11 AIB 10 1HB1 AIB 10 -1.862 13.819 -6.241
77 HB12 AIB 10 2HB1 AIB 10 -2.865 14.962 -7.231
78 HB13 AIB 10 3HB1 AIB 10 -1.557 15.605 -6.149
79 HB21 AIB 10 1HB2 AIB 10 -3.515 16.035 -3.251
80 HB22 AIB 10 2HB2 AIB 10 -1.850 16.022 -3.971
81 HB23 AIB 10 3HB2 AIB 10 -3.148 17.058 -4.704
82 HA PRO 11 HA PRO 11 -6.679 15.490 -7.608
83 HB2 PRO 11 2HB PRO 11 -7.752 13.064 -8.185
84 HB3 PRO 11 3HB PRO 11 -6.416 13.767 -9.105
85 HG2 PRO 11 2HG PRO 11 -6.343 11.713 -6.929
86 HG3 PRO 11 3HG PRO 11 -5.448 11.754 -8.459
87 HD2 PRO 11 2HD PRO 11 -4.335 12.484 -6.101
88 HD3 PRO 11 3HD PRO 11 -3.876 13.230 -7.645
89 HN1 DCL 12 HN DCL 12 -6.364 13.638 -4.746
90 HA DCL 12 HA DCL 12 -9.331 13.442 -4.152
91 HC1 DCL 12 2HB1 DCL 12 -9.312 15.676 -3.415
92 HC2 DCL 12 3HB1 DCL 12 -8.650 14.901 -1.913
93 HB1 DCL 12 2HB DCL 12 -7.613 11.740 -3.358
94 HB2 DCL 12 3HB DCL 12 -6.919 13.021 -2.277
95 HG DCL 12 HG DCL 12 -9.740 13.023 -1.807
96 HD11 DCL 12 1HD1 DCL 12 -7.878 13.490 -0.179
97 HD12 DCL 12 2HD1 DCL 12 -8.993 12.208 0.461
98 HD13 DCL 12 3HD1 DCL 12 -7.386 11.744 -0.245
99 HD21 DCL 12 1HD2 DCL 12 -10.164 10.867 -2.686
100 HD22 DCL 12 2HD2 DCL 12 -8.567 10.215 -2.121
101 HD23 DCL 12 3HD2 DCL 12 -9.885 10.560 -0.920
102 HXT DCL 12 4H1 DCL 12 -6.754 16.093 -2.320
Start of MODEL 4
1 H1 ACE 1 1H1 ACE 1 -0.149 -0.106 0.973
2 H2 ACE 1 2H1 ACE 1 -1.297 -0.050 -0.385
3 H3 ACE 1 3H1 ACE 1 0.454 -0.091 -0.701
4 H AIB 2 HN AIB 2 1.128 1.621 1.507
5 HB11 AIB 2 1HB1 AIB 2 1.151 4.565 3.055
6 HB12 AIB 2 2HB1 AIB 2 2.124 3.098 2.612
7 HB13 AIB 2 3HB1 AIB 2 2.528 4.711 1.883
8 HB21 AIB 2 1HB2 AIB 2 -1.214 3.723 2.009
9 HB22 AIB 2 2HB2 AIB 2 -0.462 5.371 1.910
10 HB23 AIB 2 3HB2 AIB 2 -1.151 4.596 0.421
11 H ASN 3 HN ASN 3 1.745 2.606 -1.031
12 HA ASN 3 HA ASN 3 2.917 4.996 -2.130
13 HB2 ASN 3 2HB ASN 3 3.449 2.286 -2.350
14 HB3 ASN 3 3HB ASN 3 2.783 2.699 -3.927
15 HD21 ASN 3 1HD2 ASN 3 4.451 2.857 -5.250
16 HD22 ASN 3 2HD2 ASN 3 5.877 3.792 -4.967
17 H ILE 4 HN ILE 4 -0.073 3.354 -2.398
18 HA ILE 4 HA ILE 4 -0.726 4.479 -4.995
19 HB ILE 4 HB ILE 4 -2.545 2.976 -3.113
20 HG12 ILE 4 2HG1 ILE 4 -1.975 1.156 -4.989
21 HG13 ILE 4 3HG1 ILE 4 -0.462 2.054 -5.029
22 HG21 ILE 4 1HG2 ILE 4 -3.040 4.365 -5.501
23 HG22 ILE 4 2HG2 ILE 4 -3.094 2.650 -5.907
24 HG23 ILE 4 3HG2 ILE 4 -4.133 3.288 -4.632
25 HD11 ILE 4 1HD1 ILE 4 -0.684 0.006 -3.478
26 HD12 ILE 4 2HD1 ILE 4 0.088 1.469 -2.865
27 HD13 ILE 4 3HD1 ILE 4 -1.581 1.104 -2.430
28 H ILE 5 HN ILE 5 -1.467 5.006 -1.603
29 HA ILE 5 HA ILE 5 -3.554 6.896 -2.043
30 HB ILE 5 HB ILE 5 -1.823 6.478 0.397
31 HG12 ILE 5 2HG1 ILE 5 -4.577 5.434 -0.300
32 HG13 ILE 5 3HG1 ILE 5 -3.099 4.480 -0.221
33 HG21 ILE 5 1HG2 ILE 5 -2.845 8.681 0.402
34 HG22 ILE 5 2HG2 ILE 5 -4.424 7.968 0.078
35 HG23 ILE 5 3HG2 ILE 5 -3.609 7.647 1.609
36 HD11 ILE 5 1HD1 ILE 5 -3.168 5.617 2.253
37 HD12 ILE 5 2HD1 ILE 5 -4.880 5.367 1.909
38 HD13 ILE 5 3HD1 ILE 5 -3.760 4.006 1.851
39 H AIB 6 HN AIB 6 -0.046 7.013 -1.650
40 HB11 AIB 6 1HB1 AIB 6 2.478 8.895 -1.296
41 HB12 AIB 6 2HB1 AIB 6 1.890 7.588 -2.409
42 HB13 AIB 6 3HB1 AIB 6 2.331 9.218 -3.076
43 HB21 AIB 6 1HB2 AIB 6 0.990 10.979 -0.962
44 HB22 AIB 6 2HB2 AIB 6 -0.672 10.359 -0.586
45 HB23 AIB 6 3HB2 AIB 6 0.786 9.527 0.106
46 HA PRO 7 HA PRO 7 0.114 10.945 -5.794
47 HB2 PRO 7 2HB PRO 7 -0.832 9.104 -7.551
48 HB3 PRO 7 3HB PRO 7 0.884 9.263 -7.157
49 HG2 PRO 7 2HG PRO 7 -1.128 7.311 -6.105
50 HG3 PRO 7 3HG PRO 7 0.548 7.028 -6.611
51 HD2 PRO 7 2HD PRO 7 -0.169 7.266 -4.011
52 HD3 PRO 7 3HD PRO 7 1.412 7.798 -4.618
53 H LEU 8 HN LEU 8 -2.344 8.566 -4.838
54 HA LEU 8 HA LEU 8 -4.520 9.821 -6.124
55 HB2 LEU 8 2HB LEU 8 -4.395 7.957 -3.763
56 HB3 LEU 8 3HB LEU 8 -5.903 8.488 -4.506
57 HG LEU 8 HG LEU 8 -3.756 6.981 -5.991
58 HD11 LEU 8 1HD1 LEU 8 -6.229 5.930 -4.624
59 HD12 LEU 8 2HD1 LEU 8 -4.557 5.582 -4.187
60 HD13 LEU 8 3HD1 LEU 8 -5.203 5.010 -5.725
61 HD21 LEU 8 1HD2 LEU 8 -5.758 6.481 -7.468
62 HD22 LEU 8 2HD2 LEU 8 -5.135 8.130 -7.515
63 HD23 LEU 8 3HD2 LEU 8 -6.595 7.764 -6.595
64 H LEU 9 HN LEU 9 -2.736 10.695 -3.379
65 HA LEU 9 HA LEU 9 -4.778 11.990 -1.882
66 HB2 LEU 9 2HB LEU 9 -2.665 11.310 -0.878
67 HB3 LEU 9 3HB LEU 9 -1.796 12.434 -1.920
68 HG LEU 9 HG LEU 9 -2.906 14.315 -0.787
69 HD11 LEU 9 1HD1 LEU 9 -4.722 14.018 0.445
70 HD12 LEU 9 2HD1 LEU 9 -3.823 12.985 1.555
71 HD13 LEU 9 3HD1 LEU 9 -4.630 12.281 0.154
72 HD21 LEU 9 1HD2 LEU 9 -0.715 13.314 -0.027
73 HD22 LEU 9 2HD2 LEU 9 -1.628 12.496 1.241
74 HD23 LEU 9 3HD2 LEU 9 -1.591 14.259 1.177
75 H AIB 10 HN AIB 10 -2.463 12.963 -4.394
76 HB11 AIB 10 1HB1 AIB 10 -1.467 15.621 -6.174
77 HB12 AIB 10 2HB1 AIB 10 -1.795 13.836 -6.185
78 HB13 AIB 10 3HB1 AIB 10 -2.875 14.964 -7.110
79 HB21 AIB 10 1HB2 AIB 10 -1.675 15.858 -3.619
80 HB22 AIB 10 2HB2 AIB 10 -2.460 17.048 -4.741
81 HB23 AIB 10 3HB2 AIB 10 -3.378 16.402 -3.315
82 HA PRO 11 HA PRO 11 -6.685 15.628 -7.149
83 HB2 PRO 11 2HB PRO 11 -7.877 13.229 -7.590
84 HB3 PRO 11 3HB PRO 11 -6.610 13.879 -8.637
85 HG2 PRO 11 2HG PRO 11 -6.401 11.852 -6.445
86 HG3 PRO 11 3HG PRO 11 -5.647 11.845 -8.050
87 HD2 PRO 11 2HD PRO 11 -4.304 12.571 -5.814
88 HD3 PRO 11 3HD PRO 11 -3.964 13.282 -7.405
89 HN1 DCL 12 HN DCL 12 -6.597 13.010 -4.729
90 HA DCL 12 HA DCL 12 -9.314 13.927 -3.623
91 HC1 DCL 12 2HB1 DCL 12 -8.441 14.181 -1.361
92 HC2 DCL 12 3HB1 DCL 12 -6.833 13.478 -1.824
93 HB1 DCL 12 2HB DCL 12 -7.994 11.366 -3.935
94 HB2 DCL 12 3HB DCL 12 -8.169 11.687 -2.158
95 HG DCL 12 HG DCL 12 -10.135 10.478 -3.007
96 HD11 DCL 12 1HD1 DCL 12 -10.638 12.951 -4.797
97 HD12 DCL 12 2HD1 DCL 12 -9.856 11.429 -5.402
98 HD13 DCL 12 3HD1 DCL 12 -11.562 11.389 -4.780
99 HD21 DCL 12 1HD2 DCL 12 -10.291 12.486 -1.299
100 HD22 DCL 12 2HD2 DCL 12 -11.118 13.349 -2.664
101 HD23 DCL 12 3HD2 DCL 12 -11.810 11.801 -2.016
102 HXT DCL 12 4H1 DCL 12 -6.243 15.600 -2.397
Start of MODEL 5
1 H1 ACE 1 1H1 ACE 1 0.602 -0.041 -0.590
2 H2 ACE 1 2H1 ACE 1 0.125 0.014 1.123
3 H3 ACE 1 3H1 ACE 1 -1.121 0.020 -0.148
4 H AIB 2 HN AIB 2 1.414 1.757 1.519
5 HB11 AIB 2 1HB1 AIB 2 3.030 4.388 1.645
6 HB12 AIB 2 2HB1 AIB 2 1.719 5.131 2.655
7 HB13 AIB 2 3HB1 AIB 2 2.104 3.365 2.822
8 HB21 AIB 2 1HB2 AIB 2 -0.910 4.715 0.443
9 HB22 AIB 2 2HB2 AIB 2 -0.898 3.879 2.053
10 HB23 AIB 2 3HB2 AIB 2 -0.141 5.519 1.876
11 H ASN 3 HN ASN 3 1.875 2.636 -1.094
12 HA ASN 3 HA ASN 3 2.997 4.968 -2.354
13 HB2 ASN 3 2HB ASN 3 3.146 2.089 -2.697
14 HB3 ASN 3 3HB ASN 3 2.947 2.910 -4.242
15 HD21 ASN 3 1HD2 ASN 3 5.001 2.466 -4.949
16 HD22 ASN 3 2HD2 ASN 3 6.409 3.201 -4.269
17 H ILE 4 HN ILE 4 -0.027 3.376 -2.360
18 HA ILE 4 HA ILE 4 -0.825 4.431 -4.952
19 HB ILE 4 HB ILE 4 -2.422 2.875 -2.914
20 HG12 ILE 4 2HG1 ILE 4 -1.119 2.000 -5.502
21 HG13 ILE 4 3HG1 ILE 4 -0.571 1.581 -3.882
22 HG21 ILE 4 1HG2 ILE 4 -4.228 3.372 -4.101
23 HG22 ILE 4 2HG2 ILE 4 -3.257 4.386 -5.167
24 HG23 ILE 4 3HG2 ILE 4 -3.479 2.676 -5.538
25 HD11 ILE 4 1HD1 ILE 4 -2.886 0.539 -3.579
26 HD12 ILE 4 2HD1 ILE 4 -3.016 0.655 -5.334
27 HD13 ILE 4 3HD1 ILE 4 -1.724 -0.299 -4.607
28 H ILE 5 HN ILE 5 -1.435 4.977 -1.527
29 HA ILE 5 HA ILE 5 -3.504 6.900 -1.915
30 HB ILE 5 HB ILE 5 -1.732 6.534 0.502
31 HG12 ILE 5 2HG1 ILE 5 -4.403 5.281 -0.171
32 HG13 ILE 5 3HG1 ILE 5 -2.858 4.442 -0.095
33 HG21 ILE 5 1HG2 ILE 5 -4.428 7.396 1.020
34 HG22 ILE 5 2HG2 ILE 5 -2.902 8.147 1.483
35 HG23 ILE 5 3HG2 ILE 5 -3.620 8.505 -0.088
36 HD11 ILE 5 1HD1 ILE 5 -4.604 5.412 2.092
37 HD12 ILE 5 2HD1 ILE 5 -3.691 3.910 1.947
38 HD13 ILE 5 3HD1 ILE 5 -2.861 5.410 2.359
39 H AIB 6 HN AIB 6 0.012 6.957 -1.586
40 HB11 AIB 6 1HB1 AIB 6 1.948 7.494 -2.321
41 HB12 AIB 6 2HB1 AIB 6 2.380 9.086 -3.077
42 HB13 AIB 6 3HB1 AIB 6 2.586 8.843 -1.290
43 HB21 AIB 6 1HB2 AIB 6 0.974 9.471 0.151
44 HB22 AIB 6 2HB2 AIB 6 1.071 10.931 -0.921
45 HB23 AIB 6 3HB2 AIB 6 -0.546 10.252 -0.456
46 HA PRO 7 HA PRO 7 0.161 10.903 -5.715
47 HB2 PRO 7 2HB PRO 7 -0.854 9.087 -7.460
48 HB3 PRO 7 3HB PRO 7 0.872 9.212 -7.099
49 HG2 PRO 7 2HG PRO 7 -1.155 7.295 -6.015
50 HG3 PRO 7 3HG PRO 7 0.505 6.981 -6.554
51 HD2 PRO 7 2HD PRO 7 -0.157 7.222 -3.940
52 HD3 PRO 7 3HD PRO 7 1.422 7.727 -4.576
53 H LEU 8 HN LEU 8 -2.324 8.563 -4.730
54 HA LEU 8 HA LEU 8 -4.498 9.869 -5.964
55 HB2 LEU 8 2HB LEU 8 -4.352 7.975 -3.630
56 HB3 LEU 8 3HB LEU 8 -5.871 8.555 -4.310
57 HG LEU 8 HG LEU 8 -3.809 6.982 -5.851
58 HD11 LEU 8 1HD1 LEU 8 -5.264 5.073 -5.593
59 HD12 LEU 8 2HD1 LEU 8 -6.396 6.026 -4.634
60 HD13 LEU 8 3HD1 LEU 8 -4.787 5.673 -4.005
61 HD21 LEU 8 1HD2 LEU 8 -6.536 8.056 -6.466
62 HD22 LEU 8 2HD2 LEU 8 -5.924 6.622 -7.291
63 HD23 LEU 8 3HD2 LEU 8 -5.056 8.152 -7.421
64 H LEU 9 HN LEU 9 -2.647 10.690 -3.249
65 HA LEU 9 HA LEU 9 -4.635 12.012 -1.703
66 HB2 LEU 9 2HB LEU 9 -2.505 11.280 -0.759
67 HB3 LEU 9 3HB LEU 9 -1.648 12.420 -1.795
68 HG LEU 9 HG LEU 9 -2.020 13.016 0.687
69 HD11 LEU 9 1HD1 LEU 9 -1.528 15.114 0.092
70 HD12 LEU 9 2HD1 LEU 9 -2.994 15.289 -0.872
71 HD13 LEU 9 3HD1 LEU 9 -1.576 14.498 -1.560
72 HD21 LEU 9 1HD2 LEU 9 -4.581 12.480 0.252
73 HD22 LEU 9 2HD2 LEU 9 -4.600 14.184 -0.202
74 HD23 LEU 9 3HD2 LEU 9 -4.065 13.706 1.410
75 H AIB 10 HN AIB 10 -2.352 12.960 -4.253
76 HB11 AIB 10 1HB1 AIB 10 -2.770 15.025 -6.947
77 HB12 AIB 10 2HB1 AIB 10 -1.317 15.585 -6.015
78 HB13 AIB 10 3HB1 AIB 10 -1.735 13.820 -6.071
79 HB21 AIB 10 1HB2 AIB 10 -1.428 15.896 -3.599
80 HB22 AIB 10 2HB2 AIB 10 -2.424 17.089 -4.535
81 HB23 AIB 10 3HB2 AIB 10 -3.107 16.305 -3.047
82 HA PRO 11 HA PRO 11 -6.576 15.721 -6.909
83 HB2 PRO 11 2HB PRO 11 -7.820 13.348 -7.343
84 HB3 PRO 11 3HB PRO 11 -6.561 13.982 -8.410
85 HG2 PRO 11 2HG PRO 11 -6.347 11.935 -6.236
86 HG3 PRO 11 3HG PRO 11 -5.625 11.927 -7.856
87 HD2 PRO 11 2HD PRO 11 -4.226 12.612 -5.640
88 HD3 PRO 11 3HD PRO 11 -3.904 13.328 -7.232
89 HN1 DCL 12 HN DCL 12 -6.530 13.044 -4.547
90 HA DCL 12 HA DCL 12 -8.979 14.325 -3.159
91 HC1 DCL 12 2HB1 DCL 12 -6.595 12.766 -1.925
92 HC2 DCL 12 3HB1 DCL 12 -6.899 14.549 -1.784
93 HB1 DCL 12 2HB DCL 12 -8.425 11.534 -4.050
94 HB2 DCL 12 3HB DCL 12 -8.877 11.648 -2.297
95 HG DCL 12 HG DCL 12 -10.758 13.317 -3.353
96 HD11 DCL 12 1HD1 DCL 12 -11.789 11.648 -2.132
97 HD12 DCL 12 2HD1 DCL 12 -11.944 10.775 -3.715
98 HD13 DCL 12 3HD1 DCL 12 -10.543 10.421 -2.616
99 HD21 DCL 12 1HD2 DCL 12 -10.749 11.124 -5.459
100 HD22 DCL 12 2HD2 DCL 12 -11.499 12.777 -5.493
101 HD23 DCL 12 3HD2 DCL 12 -9.705 12.587 -5.706
102 HXT DCL 12 4H1 DCL 12 -8.283 14.020 -0.056
Start of MODEL 6
1 H1 ACE 1 1H1 ACE 1 0.612 -0.053 -0.723
2 H2 ACE 1 2H1 ACE 1 0.017 -0.020 0.954
3 H3 ACE 1 3H1 ACE 1 -1.138 -0.003 -0.400
4 H AIB 2 HN AIB 2 1.347 1.720 1.383
5 HB11 AIB 2 1HB1 AIB 2 2.249 5.242 1.955
6 HB12 AIB 2 2HB1 AIB 2 1.485 3.976 3.006
7 HB13 AIB 2 3HB1 AIB 2 2.851 3.532 1.896
8 HB21 AIB 2 1HB2 AIB 2 -0.967 4.687 0.307
9 HB22 AIB 2 2HB2 AIB 2 -0.981 3.827 1.904
10 HB23 AIB 2 3HB2 AIB 2 -0.226 5.471 1.765
11 H ASN 3 HN ASN 3 1.848 2.634 -1.211
12 HA ASN 3 HA ASN 3 2.984 4.986 -2.421
13 HB2 ASN 3 2HB ASN 3 2.965 2.075 -2.978
14 HB3 ASN 3 3HB ASN 3 3.152 3.130 -4.376
15 HD21 ASN 3 1HD2 ASN 3 4.467 2.383 -1.198
16 HD22 ASN 3 2HD2 ASN 3 6.080 2.896 -1.545
17 H ILE 4 HN ILE 4 -0.035 3.388 -2.497
18 HA ILE 4 HA ILE 4 -0.794 4.472 -5.089
19 HB ILE 4 HB ILE 4 -2.423 2.894 -3.093
20 HG12 ILE 4 2HG1 ILE 4 -1.074 2.045 -5.666
21 HG13 ILE 4 3HG1 ILE 4 -0.556 1.609 -4.041
22 HG21 ILE 4 1HG2 ILE 4 -3.431 2.724 -5.740
23 HG22 ILE 4 2HG2 ILE 4 -4.209 3.394 -4.307
24 HG23 ILE 4 3HG2 ILE 4 -3.224 4.429 -5.340
25 HD11 ILE 4 1HD1 ILE 4 -1.695 -0.266 -4.764
26 HD12 ILE 4 2HD1 ILE 4 -2.909 0.590 -3.812
27 HD13 ILE 4 3HD1 ILE 4 -2.945 0.680 -5.573
28 H ILE 5 HN ILE 5 -1.447 4.987 -1.668
29 HA ILE 5 HA ILE 5 -3.516 6.909 -2.065
30 HB ILE 5 HB ILE 5 -1.772 6.514 0.368
31 HG12 ILE 5 2HG1 ILE 5 -4.448 5.295 -0.343
32 HG13 ILE 5 3HG1 ILE 5 -2.912 4.439 -0.262
33 HG21 ILE 5 1HG2 ILE 5 -4.450 7.390 0.899
34 HG22 ILE 5 2HG2 ILE 5 -2.920 8.152 1.330
35 HG23 ILE 5 3HG2 ILE 5 -3.666 8.494 -0.231
36 HD11 ILE 5 1HD1 ILE 5 -4.788 5.036 1.826
37 HD12 ILE 5 2HD1 ILE 5 -3.385 3.966 1.844
38 HD13 ILE 5 3HD1 ILE 5 -3.194 5.679 2.217
39 H AIB 6 HN AIB 6 -0.004 6.970 -1.694
40 HB11 AIB 6 1HB1 AIB 6 2.413 9.194 -3.072
41 HB12 AIB 6 2HB1 AIB 6 2.535 8.761 -1.314
42 HB13 AIB 6 3HB1 AIB 6 1.930 7.538 -2.511
43 HB21 AIB 6 1HB2 AIB 6 1.046 9.526 0.039
44 HB22 AIB 6 2HB2 AIB 6 0.925 10.992 -1.023
45 HB23 AIB 6 3HB2 AIB 6 -0.581 10.147 -0.465
46 HA PRO 7 HA PRO 7 0.185 10.951 -5.787
47 HB2 PRO 7 2HB PRO 7 -0.808 9.149 -7.558
48 HB3 PRO 7 3HB PRO 7 0.914 9.273 -7.177
49 HG2 PRO 7 2HG PRO 7 -1.123 7.344 -6.133
50 HG3 PRO 7 3HG PRO 7 0.543 7.037 -6.656
51 HD2 PRO 7 2HD PRO 7 -0.148 7.255 -4.047
52 HD3 PRO 7 3HD PRO 7 1.437 7.767 -4.660
53 H LEU 8 HN LEU 8 -2.308 8.600 -4.851
54 HA LEU 8 HA LEU 8 -4.470 9.913 -6.098
55 HB2 LEU 8 2HB LEU 8 -4.348 8.000 -3.779
56 HB3 LEU 8 3HB LEU 8 -5.860 8.583 -4.472
57 HG LEU 8 HG LEU 8 -3.777 7.027 -6.002
58 HD11 LEU 8 1HD1 LEU 8 -5.225 5.111 -5.773
59 HD12 LEU 8 2HD1 LEU 8 -6.375 6.052 -4.825
60 HD13 LEU 8 3HD1 LEU 8 -4.774 5.703 -4.174
61 HD21 LEU 8 1HD2 LEU 8 -4.955 8.037 -7.661
62 HD22 LEU 8 2HD2 LEU 8 -6.390 8.262 -6.661
63 HD23 LEU 8 3HD2 LEU 8 -6.040 6.680 -7.358
64 H LEU 9 HN LEU 9 -2.651 10.713 -3.355
65 HA LEU 9 HA LEU 9 -4.658 12.019 -1.821
66 HB2 LEU 9 2HB LEU 9 -2.539 11.282 -0.857
67 HB3 LEU 9 3HB LEU 9 -1.671 12.430 -1.875
68 HG LEU 9 HG LEU 9 -2.073 13.006 0.607
69 HD11 LEU 9 1HD1 LEU 9 -1.380 14.496 -1.426
70 HD12 LEU 9 2HD1 LEU 9 -1.832 15.234 0.110
71 HD13 LEU 9 3HD1 LEU 9 -2.993 15.178 -1.216
72 HD21 LEU 9 1HD2 LEU 9 -4.602 12.453 0.218
73 HD22 LEU 9 2HD2 LEU 9 -4.666 14.119 -0.358
74 HD23 LEU 9 3HD2 LEU 9 -4.129 13.774 1.286
75 H AIB 10 HN AIB 10 -2.347 12.991 -4.337
76 HB11 AIB 10 1HB1 AIB 10 -1.843 13.830 -6.229
77 HB12 AIB 10 2HB1 AIB 10 -2.689 15.236 -7.003
78 HB13 AIB 10 3HB1 AIB 10 -1.210 15.513 -5.988
79 HB21 AIB 10 1HB2 AIB 10 -1.397 15.974 -3.737
80 HB22 AIB 10 2HB2 AIB 10 -2.523 17.143 -4.547
81 HB23 AIB 10 3HB2 AIB 10 -3.055 16.253 -3.058
82 HA PRO 11 HA PRO 11 -6.544 15.771 -7.016
83 HB2 PRO 11 2HB PRO 11 -7.780 13.400 -7.485
84 HB3 PRO 11 3HB PRO 11 -6.511 14.045 -8.532
85 HG2 PRO 11 2HG PRO 11 -6.319 11.980 -6.373
86 HG3 PRO 11 3HG PRO 11 -5.578 11.986 -7.985
87 HD2 PRO 11 2HD PRO 11 -4.206 12.653 -5.748
88 HD3 PRO 11 3HD PRO 11 -3.866 13.383 -7.330
89 HN1 DCL 12 HN DCL 12 -6.500 13.096 -4.656
90 HA DCL 12 HA DCL 12 -9.069 14.250 -3.384
91 HC1 DCL 12 2HB1 DCL 12 -6.708 12.986 -1.830
92 HC2 DCL 12 3HB1 DCL 12 -6.884 14.773 -2.089
93 HB1 DCL 12 2HB DCL 12 -8.640 11.673 -4.326
94 HB2 DCL 12 3HB DCL 12 -8.150 11.503 -2.587
95 HG DCL 12 HG DCL 12 -10.506 13.013 -2.438
96 HD11 DCL 12 1HD1 DCL 12 -10.422 9.928 -2.439
97 HD12 DCL 12 2HD1 DCL 12 -9.586 10.906 -1.159
98 HD13 DCL 12 3HD1 DCL 12 -11.386 11.029 -1.366
99 HD21 DCL 12 1HD2 DCL 12 -11.077 12.666 -4.790
100 HD22 DCL 12 2HD2 DCL 12 -10.791 10.880 -4.640
101 HD23 DCL 12 3HD2 DCL 12 -12.177 11.656 -3.761
102 HXT DCL 12 4H1 DCL 12 -8.381 14.716 -0.375
Start of MODEL 7
1 H1 ACE 1 1H1 ACE 1 -1.710 2.988 1.385
2 H2 ACE 1 2H1 ACE 1 -1.149 2.448 2.986
3 H3 ACE 1 3H1 ACE 1 -2.338 3.767 2.857
4 H AIB 2 HN AIB 2 -0.042 3.728 0.379
5 HB11 AIB 2 1HB1 AIB 2 3.523 5.292 1.471
6 HB12 AIB 2 2HB1 AIB 2 2.375 5.569 2.848
7 HB13 AIB 2 3HB1 AIB 2 2.550 3.911 2.130
8 HB21 AIB 2 1HB2 AIB 2 0.028 6.928 0.529
9 HB22 AIB 2 2HB2 AIB 2 0.729 6.916 2.202
10 HB23 AIB 2 3HB2 AIB 2 1.742 7.458 0.796
11 H ASN 3 HN ASN 3 1.465 3.234 -0.659
12 HA ASN 3 HA ASN 3 3.319 4.357 -2.552
13 HB2 ASN 3 2HB ASN 3 2.796 1.817 -1.803
14 HB3 ASN 3 3HB ASN 3 1.811 1.905 -3.261
15 HD21 ASN 3 1HD2 ASN 3 3.083 0.492 -4.409
16 HD22 ASN 3 2HD2 ASN 3 4.669 0.896 -4.962
17 H ILE 4 HN ILE 4 -0.006 3.096 -2.872
18 HA ILE 4 HA ILE 4 -0.340 4.642 -5.322
19 HB ILE 4 HB ILE 4 -2.209 2.668 -4.004
20 HG12 ILE 4 2HG1 ILE 4 -0.460 2.355 -6.454
21 HG13 ILE 4 3HG1 ILE 4 -0.087 1.693 -4.866
22 HG21 ILE 4 1HG2 ILE 4 -2.561 4.545 -6.188
23 HG22 ILE 4 2HG2 ILE 4 -2.878 2.881 -6.676
24 HG23 ILE 4 3HG2 ILE 4 -3.758 3.585 -5.319
25 HD11 ILE 4 1HD1 ILE 4 -1.014 -0.129 -5.858
26 HD12 ILE 4 2HD1 ILE 4 -2.460 0.591 -5.149
27 HD13 ILE 4 3HD1 ILE 4 -2.104 0.829 -6.860
28 H ILE 5 HN ILE 5 -1.253 4.704 -1.991
29 HA ILE 5 HA ILE 5 -3.545 6.367 -2.233
30 HB ILE 5 HB ILE 5 -1.698 6.001 0.129
31 HG12 ILE 5 2HG1 ILE 5 -2.702 3.894 -0.599
32 HG13 ILE 5 3HG1 ILE 5 -3.409 4.416 0.926
33 HG21 ILE 5 1HG2 ILE 5 -4.333 7.378 -0.206
34 HG22 ILE 5 2HG2 ILE 5 -3.879 6.676 1.346
35 HG23 ILE 5 3HG2 ILE 5 -2.879 7.935 0.621
36 HD11 ILE 5 1HD1 ILE 5 -5.376 4.053 -0.033
37 HD12 ILE 5 2HD1 ILE 5 -5.077 5.519 -0.968
38 HD13 ILE 5 3HD1 ILE 5 -4.661 3.944 -1.641
39 H AIB 6 HN AIB 6 -0.068 6.904 -1.739
40 HB11 AIB 6 1HB1 AIB 6 2.139 9.591 -2.711
41 HB12 AIB 6 2HB1 AIB 6 2.082 8.904 -1.033
42 HB13 AIB 6 3HB1 AIB 6 1.833 7.819 -2.467
43 HB21 AIB 6 1HB2 AIB 6 -1.262 10.072 -0.661
44 HB22 AIB 6 2HB2 AIB 6 0.279 9.533 0.128
45 HB23 AIB 6 3HB2 AIB 6 0.272 10.998 -0.943
46 HA PRO 7 HA PRO 7 -0.053 10.857 -5.811
47 HB2 PRO 7 2HB PRO 7 -0.583 8.919 -7.637
48 HB3 PRO 7 3HB PRO 7 1.053 9.297 -7.085
49 HG2 PRO 7 2HG PRO 7 -0.779 7.095 -6.214
50 HG3 PRO 7 3HG PRO 7 0.960 7.034 -6.558
51 HD2 PRO 7 2HD PRO 7 -0.023 7.162 -4.038
52 HD3 PRO 7 3HD PRO 7 1.525 7.899 -4.497
53 H LEU 8 HN LEU 8 -2.293 8.724 -4.350
54 HA LEU 8 HA LEU 8 -4.501 9.478 -6.084
55 HB2 LEU 8 2HB LEU 8 -4.119 7.574 -3.826
56 HB3 LEU 8 3HB LEU 8 -5.750 8.131 -4.195
57 HG LEU 8 HG LEU 8 -3.910 6.684 -6.100
58 HD11 LEU 8 1HD1 LEU 8 -6.372 5.746 -4.635
59 HD12 LEU 8 2HD1 LEU 8 -4.714 5.235 -4.319
60 HD13 LEU 8 3HD1 LEU 8 -5.485 4.830 -5.853
61 HD21 LEU 8 1HD2 LEU 8 -6.606 7.936 -6.388
62 HD22 LEU 8 2HD2 LEU 8 -6.212 6.487 -7.314
63 HD23 LEU 8 3HD2 LEU 8 -5.236 7.945 -7.499
64 H LEU 9 HN LEU 9 -3.111 10.385 -3.048
65 HA LEU 9 HA LEU 9 -5.397 11.669 -1.948
66 HB2 LEU 9 2HB LEU 9 -3.733 11.091 -0.413
67 HB3 LEU 9 3HB LEU 9 -2.454 11.795 -1.401
68 HG LEU 9 HG LEU 9 -3.288 14.044 -0.838
69 HD11 LEU 9 1HD1 LEU 9 -4.892 13.304 1.429
70 HD12 LEU 9 2HD1 LEU 9 -5.589 12.663 -0.058
71 HD13 LEU 9 3HD1 LEU 9 -5.271 14.391 0.093
72 HD21 LEU 9 1HD2 LEU 9 -1.568 13.576 0.570
73 HD22 LEU 9 2HD2 LEU 9 -2.326 12.109 1.192
74 HD23 LEU 9 3HD2 LEU 9 -2.862 13.690 1.763
75 H AIB 10 HN AIB 10 -2.630 12.672 -3.938
76 HB11 AIB 10 1HB1 AIB 10 -2.411 15.003 -6.597
77 HB12 AIB 10 2HB1 AIB 10 -1.175 15.137 -5.276
78 HB13 AIB 10 3HB1 AIB 10 -1.821 13.509 -5.754
79 HB21 AIB 10 1HB2 AIB 10 -2.111 15.503 -2.878
80 HB22 AIB 10 2HB2 AIB 10 -2.418 16.713 -4.194
81 HB23 AIB 10 3HB2 AIB 10 -3.773 16.193 -3.104
82 HA PRO 11 HA PRO 11 -6.216 15.403 -7.430
83 HB2 PRO 11 2HB PRO 11 -7.299 13.018 -8.142
84 HB3 PRO 11 3HB PRO 11 -5.849 13.680 -8.904
85 HG2 PRO 11 2HG PRO 11 -6.082 11.614 -6.750
86 HG3 PRO 11 3HG PRO 11 -5.024 11.632 -8.173
87 HD2 PRO 11 2HD PRO 11 -4.152 12.313 -5.702
88 HD3 PRO 11 3HD PRO 11 -3.502 13.050 -7.181
89 HN1 DCL 12 HN DCL 12 -6.275 13.542 -4.562
90 HA DCL 12 HA DCL 12 -9.213 13.183 -4.244
91 HC1 DCL 12 2HB1 DCL 12 -9.158 15.065 -2.273
92 HC2 DCL 12 3HB1 DCL 12 -7.929 15.815 -3.378
93 HB1 DCL 12 2HB DCL 12 -7.066 12.181 -2.924
94 HB2 DCL 12 3HB DCL 12 -7.414 13.585 -1.829
95 HG DCL 12 HG DCL 12 -9.936 12.641 -2.071
96 HD11 DCL 12 1HD1 DCL 12 -7.592 12.085 -0.248
97 HD12 DCL 12 2HD1 DCL 12 -9.249 12.712 0.147
98 HD13 DCL 12 3HD1 DCL 12 -8.982 10.930 -0.083
99 HD21 DCL 12 1HD2 DCL 12 -8.404 10.005 -2.034
100 HD22 DCL 12 2HD2 DCL 12 -10.155 10.330 -2.385
101 HD23 DCL 12 3HD2 DCL 12 -8.888 10.750 -3.616
102 HXT DCL 12 4H1 DCL 12 -9.697 16.434 -4.671
Start of MODEL 8
1 H1 ACE 1 1H1 ACE 1 1.886 0.522 3.545
2 H2 ACE 1 2H1 ACE 1 0.706 -0.278 2.479
3 H3 ACE 1 3H1 ACE 1 2.189 0.430 1.794
4 H AIB 2 HN AIB 2 1.884 2.135 0.687
5 HB11 AIB 2 1HB1 AIB 2 1.858 4.834 2.353
6 HB12 AIB 2 2HB1 AIB 2 0.496 5.880 1.769
7 HB13 AIB 2 3HB1 AIB 2 0.175 4.557 2.970
8 HB21 AIB 2 1HB2 AIB 2 -1.318 2.743 1.171
9 HB22 AIB 2 2HB2 AIB 2 -1.522 4.544 1.257
10 HB23 AIB 2 3HB2 AIB 2 -1.227 3.739 -0.342
11 H ASN 3 HN ASN 3 1.534 2.628 -1.112
12 HA ASN 3 HA ASN 3 2.824 4.936 -2.238
13 HB2 ASN 3 2HB ASN 3 3.264 2.226 -2.392
14 HB3 ASN 3 3HB ASN 3 2.570 2.582 -3.971
15 HD21 ASN 3 1HD2 ASN 3 5.330 1.879 -2.979
16 HD22 ASN 3 2HD2 ASN 3 6.352 3.076 -3.691
17 H ILE 4 HN ILE 4 -0.243 3.445 -2.530
18 HA ILE 4 HA ILE 4 -0.788 4.655 -5.129
19 HB ILE 4 HB ILE 4 -2.572 2.964 -3.372
20 HG12 ILE 4 2HG1 ILE 4 -1.036 2.247 -5.879
21 HG13 ILE 4 3HG1 ILE 4 -0.605 1.753 -4.246
22 HG21 ILE 4 1HG2 ILE 4 -4.237 3.625 -4.682
23 HG22 ILE 4 2HG2 ILE 4 -3.135 4.593 -5.659
24 HG23 ILE 4 3HG2 ILE 4 -3.404 2.895 -6.054
25 HD11 ILE 4 1HD1 ILE 4 -1.676 -0.091 -5.220
26 HD12 ILE 4 2HD1 ILE 4 -2.870 0.633 -4.142
27 HD13 ILE 4 3HD1 ILE 4 -2.971 0.907 -5.881
28 H ILE 5 HN ILE 5 -1.560 5.049 -1.741
29 HA ILE 5 HA ILE 5 -3.684 6.914 -2.117
30 HB ILE 5 HB ILE 5 -1.950 6.452 0.312
31 HG12 ILE 5 2HG1 ILE 5 -3.198 4.449 -0.429
32 HG13 ILE 5 3HG1 ILE 5 -3.781 5.057 1.117
33 HG21 ILE 5 1HG2 ILE 5 -4.473 8.025 -0.107
34 HG22 ILE 5 2HG2 ILE 5 -3.985 7.439 1.482
35 HG23 ILE 5 3HG2 ILE 5 -2.947 8.559 0.598
36 HD11 ILE 5 1HD1 ILE 5 -5.275 4.493 -1.172
37 HD12 ILE 5 2HD1 ILE 5 -5.829 5.262 0.316
38 HD13 ILE 5 3HD1 ILE 5 -5.258 6.250 -1.029
39 H AIB 6 HN AIB 6 -0.180 7.087 -1.610
40 HB11 AIB 6 1HB1 AIB 6 2.209 9.284 -2.910
41 HB12 AIB 6 2HB1 AIB 6 2.282 9.111 -1.105
42 HB13 AIB 6 3HB1 AIB 6 1.788 7.700 -2.134
43 HB21 AIB 6 1HB2 AIB 6 0.701 11.088 -0.862
44 HB22 AIB 6 2HB2 AIB 6 -0.966 10.425 -0.594
45 HB23 AIB 6 3HB2 AIB 6 0.463 9.639 0.202
46 HA PRO 7 HA PRO 7 0.157 10.981 -5.748
47 HB2 PRO 7 2HB PRO 7 -0.655 9.106 -7.535
48 HB3 PRO 7 3HB PRO 7 1.031 9.294 -7.039
49 HG2 PRO 7 2HG PRO 7 -1.016 7.328 -6.088
50 HG3 PRO 7 3HG PRO 7 0.691 7.061 -6.486
51 HD2 PRO 7 2HD PRO 7 -0.188 7.320 -3.938
52 HD3 PRO 7 3HD PRO 7 1.421 7.867 -4.453
53 H LEU 8 HN LEU 8 -2.325 8.573 -4.932
54 HA LEU 8 HA LEU 8 -4.429 9.810 -6.354
55 HB2 LEU 8 2HB LEU 8 -4.351 7.858 -4.075
56 HB3 LEU 8 3HB LEU 8 -5.872 8.460 -4.730
57 HG LEU 8 HG LEU 8 -3.792 6.868 -6.228
58 HD11 LEU 8 1HD1 LEU 8 -6.571 6.129 -5.324
59 HD12 LEU 8 2HD1 LEU 8 -5.069 5.560 -4.596
60 HD13 LEU 8 3HD1 LEU 8 -5.469 5.114 -6.255
61 HD21 LEU 8 1HD2 LEU 8 -6.120 8.449 -7.096
62 HD22 LEU 8 2HD2 LEU 8 -6.005 6.824 -7.771
63 HD23 LEU 8 3HD2 LEU 8 -4.677 7.965 -7.986
64 H LEU 9 HN LEU 9 -2.834 10.685 -3.501
65 HA LEU 9 HA LEU 9 -4.984 11.926 -2.114
66 HB2 LEU 9 2HB LEU 9 -2.912 11.271 -1.003
67 HB3 LEU 9 3HB LEU 9 -2.016 12.440 -1.972
68 HG LEU 9 HG LEU 9 -3.596 14.180 -0.856
69 HD11 LEU 9 1HD1 LEU 9 -3.634 12.672 1.589
70 HD12 LEU 9 2HD1 LEU 9 -4.556 11.841 0.337
71 HD13 LEU 9 3HD1 LEU 9 -4.951 13.505 0.764
72 HD21 LEU 9 1HD2 LEU 9 -1.497 14.605 -0.189
73 HD22 LEU 9 2HD2 LEU 9 -1.118 12.899 0.046
74 HD23 LEU 9 3HD2 LEU 9 -1.980 13.793 1.300
75 H AIB 10 HN AIB 10 -2.538 12.973 -4.468
76 HB11 AIB 10 1HB1 AIB 10 -1.848 13.849 -6.259
77 HB12 AIB 10 2HB1 AIB 10 -2.791 15.097 -7.178
78 HB13 AIB 10 3HB1 AIB 10 -1.428 15.606 -6.093
79 HB21 AIB 10 1HB2 AIB 10 -3.548 16.299 -3.343
80 HB22 AIB 10 2HB2 AIB 10 -1.810 15.932 -3.708
81 HB23 AIB 10 3HB2 AIB 10 -2.732 17.093 -4.754
82 HA PRO 11 HA PRO 11 -6.626 15.568 -7.475
83 HB2 PRO 11 2HB PRO 11 -7.728 13.146 -8.014
84 HB3 PRO 11 3HB PRO 11 -6.410 13.836 -8.968
85 HG2 PRO 11 2HG PRO 11 -6.299 11.792 -6.784
86 HG3 PRO 11 3HG PRO 11 -5.440 11.819 -8.335
87 HD2 PRO 11 2HD PRO 11 -4.268 12.554 -6.007
88 HD3 PRO 11 3HD PRO 11 -3.839 13.289 -7.565
89 HN1 DCL 12 HN DCL 12 -6.382 13.357 -4.774
90 HA DCL 12 HA DCL 12 -9.338 13.621 -4.063
91 HC1 DCL 12 2HB1 DCL 12 -8.979 14.807 -1.984
92 HC2 DCL 12 3HB1 DCL 12 -7.181 14.572 -2.062
93 HB1 DCL 12 2HB DCL 12 -7.974 11.459 -3.772
94 HB2 DCL 12 3HB DCL 12 -7.076 12.301 -2.439
95 HG DCL 12 HG DCL 12 -9.986 12.607 -2.125
96 HD11 DCL 12 1HD1 DCL 12 -8.652 12.964 -0.193
97 HD12 DCL 12 2HD1 DCL 12 -9.198 11.253 0.073
98 HD13 DCL 12 3HD1 DCL 12 -7.539 11.586 -0.587
99 HD21 DCL 12 1HD2 DCL 12 -9.944 9.980 -1.312
100 HD22 DCL 12 2HD2 DCL 12 -10.616 10.548 -2.900
101 HD23 DCL 12 3HD2 DCL 12 -8.930 9.879 -2.813
102 HXT DCL 12 4H1 DCL 12 -7.133 16.519 -3.240
Start of MODEL 9
1 H1 ACE 1 1H1 ACE 1 0.972 -0.786 2.956
2 H2 ACE 1 2H1 ACE 1 1.827 -0.430 1.436
3 H3 ACE 1 3H1 ACE 1 2.282 0.418 2.934
4 H AIB 2 HN AIB 2 1.813 1.803 0.676
5 HB11 AIB 2 1HB1 AIB 2 -0.863 3.478 2.627
6 HB12 AIB 2 2HB1 AIB 2 0.724 4.301 2.317
7 HB13 AIB 2 3HB1 AIB 2 -0.790 4.919 1.529
8 HB21 AIB 2 1HB2 AIB 2 -2.150 2.821 0.886
9 HB22 AIB 2 2HB2 AIB 2 -1.572 2.980 -0.826
10 HB23 AIB 2 3HB2 AIB 2 -1.290 1.438 0.088
11 H ASN 3 HN ASN 3 1.692 2.315 -1.147
12 HA ASN 3 HA ASN 3 2.748 4.803 -1.883
13 HB2 ASN 3 2HB ASN 3 2.941 2.052 -2.799
14 HB3 ASN 3 3HB ASN 3 2.981 3.187 -4.145
15 HD21 ASN 3 1HD2 ASN 3 5.077 1.469 -3.049
16 HD22 ASN 3 2HD2 ASN 3 6.382 2.523 -2.635
17 H ILE 4 HN ILE 4 -0.233 3.316 -2.671
18 HA ILE 4 HA ILE 4 -0.660 4.809 -5.108
19 HB ILE 4 HB ILE 4 -2.715 3.280 -3.514
20 HG12 ILE 4 2HG1 ILE 4 -2.073 1.637 -5.579
21 HG13 ILE 4 3HG1 ILE 4 -0.502 2.355 -5.241
22 HG21 ILE 4 1HG2 ILE 4 -3.056 3.232 -6.356
23 HG22 ILE 4 2HG2 ILE 4 -4.141 3.853 -5.114
24 HG23 ILE 4 3HG2 ILE 4 -2.900 4.899 -5.803
25 HD11 ILE 4 1HD1 ILE 4 -1.959 1.429 -2.875
26 HD12 ILE 4 2HD1 ILE 4 -1.493 0.163 -4.012
27 HD13 ILE 4 3HD1 ILE 4 -0.266 1.227 -3.325
28 H ILE 5 HN ILE 5 -1.213 5.236 -1.733
29 HA ILE 5 HA ILE 5 -3.337 7.126 -1.923
30 HB ILE 5 HB ILE 5 -1.350 6.688 0.310
31 HG12 ILE 5 2HG1 ILE 5 -2.727 4.704 -0.243
32 HG13 ILE 5 3HG1 ILE 5 -3.100 5.354 1.350
33 HG21 ILE 5 1HG2 ILE 5 -3.533 7.687 1.517
34 HG22 ILE 5 2HG2 ILE 5 -2.181 8.679 0.974
35 HG23 ILE 5 3HG2 ILE 5 -3.625 8.533 -0.028
36 HD11 ILE 5 1HD1 ILE 5 -4.705 5.791 -1.157
37 HD12 ILE 5 2HD1 ILE 5 -5.116 4.706 0.172
38 HD13 ILE 5 3HD1 ILE 5 -5.079 6.450 0.435
39 H AIB 6 HN AIB 6 0.203 7.261 -1.817
40 HB11 AIB 6 1HB1 AIB 6 2.439 9.360 -3.456
41 HB12 AIB 6 2HB1 AIB 6 2.738 9.297 -1.668
42 HB13 AIB 6 3HB1 AIB 6 2.112 7.831 -2.537
43 HB21 AIB 6 1HB2 AIB 6 -0.416 10.679 -0.836
44 HB22 AIB 6 2HB2 AIB 6 1.025 9.825 -0.138
45 HB23 AIB 6 3HB2 AIB 6 1.258 11.240 -1.251
46 HA PRO 7 HA PRO 7 0.112 11.062 -6.057
47 HB2 PRO 7 2HB PRO 7 -0.908 9.158 -7.702
48 HB3 PRO 7 3HB PRO 7 0.824 9.340 -7.401
49 HG2 PRO 7 2HG PRO 7 -1.118 7.414 -6.184
50 HG3 PRO 7 3HG PRO 7 0.532 7.122 -6.765
51 HD2 PRO 7 2HD PRO 7 -0.054 7.443 -4.141
52 HD3 PRO 7 3HD PRO 7 1.490 7.964 -4.845
53 H LEU 8 HN LEU 8 -2.279 8.699 -4.909
54 HA LEU 8 HA LEU 8 -4.522 9.921 -6.117
55 HB2 LEU 8 2HB LEU 8 -4.202 8.027 -3.810
56 HB3 LEU 8 3HB LEU 8 -5.783 8.626 -4.309
57 HG LEU 8 HG LEU 8 -3.891 6.980 -5.988
58 HD11 LEU 8 1HD1 LEU 8 -5.592 5.245 -5.784
59 HD12 LEU 8 2HD1 LEU 8 -6.540 6.289 -4.725
60 HD13 LEU 8 3HD1 LEU 8 -4.960 5.705 -4.203
61 HD21 LEU 8 1HD2 LEU 8 -5.920 6.865 -7.500
62 HD22 LEU 8 2HD2 LEU 8 -5.049 8.399 -7.474
63 HD23 LEU 8 3HD2 LEU 8 -6.562 8.228 -6.582
64 H LEU 9 HN LEU 9 -2.608 10.852 -3.486
65 HA LEU 9 HA LEU 9 -4.580 12.148 -1.898
66 HB2 LEU 9 2HB LEU 9 -2.402 11.502 -1.010
67 HB3 LEU 9 3HB LEU 9 -1.611 12.634 -2.106
68 HG LEU 9 HG LEU 9 -2.823 14.483 -0.914
69 HD11 LEU 9 1HD1 LEU 9 -4.228 14.118 0.788
70 HD12 LEU 9 2HD1 LEU 9 -3.223 12.841 1.471
71 HD13 LEU 9 3HD1 LEU 9 -4.333 12.477 0.151
72 HD21 LEU 9 1HD2 LEU 9 -1.327 14.429 1.050
73 HD22 LEU 9 2HD2 LEU 9 -0.495 14.040 -0.456
74 HD23 LEU 9 3HD2 LEU 9 -0.929 12.753 0.671
75 H AIB 10 HN AIB 10 -2.408 13.112 -4.539
76 HB11 AIB 10 1HB1 AIB 10 -1.314 15.426 -6.210
77 HB12 AIB 10 2HB1 AIB 10 -2.201 13.892 -6.601
78 HB13 AIB 10 3HB1 AIB 10 -2.824 15.483 -7.214
79 HB21 AIB 10 1HB2 AIB 10 -1.567 16.093 -3.969
80 HB22 AIB 10 2HB2 AIB 10 -2.631 17.231 -4.899
81 HB23 AIB 10 3HB2 AIB 10 -3.244 16.453 -3.378
82 HA PRO 11 HA PRO 11 -6.791 15.670 -7.134
83 HB2 PRO 11 2HB PRO 11 -7.963 13.246 -7.482
84 HB3 PRO 11 3HB PRO 11 -6.756 13.898 -8.597
85 HG2 PRO 11 2HG PRO 11 -6.414 11.910 -6.385
86 HG3 PRO 11 3HG PRO 11 -5.735 11.889 -8.023
87 HD2 PRO 11 2HD PRO 11 -4.303 12.671 -5.862
88 HD3 PRO 11 3HD PRO 11 -4.048 13.362 -7.478
89 HN1 DCL 12 HN DCL 12 -6.572 13.069 -4.700
90 HA DCL 12 HA DCL 12 -9.077 14.245 -3.318
91 HC1 DCL 12 2HB1 DCL 12 -6.482 13.068 -2.091
92 HC2 DCL 12 3HB1 DCL 12 -7.093 14.771 -1.949
93 HB1 DCL 12 2HB DCL 12 -8.897 11.718 -4.352
94 HB2 DCL 12 3HB DCL 12 -8.169 11.420 -2.716
95 HG DCL 12 HG DCL 12 -10.385 12.969 -2.080
96 HD11 DCL 12 1HD1 DCL 12 -9.572 10.076 -2.079
97 HD12 DCL 12 2HD1 DCL 12 -10.268 11.085 -0.742
98 HD13 DCL 12 3HD1 DCL 12 -11.365 10.332 -1.977
99 HD21 DCL 12 1HD2 DCL 12 -12.257 12.467 -3.373
100 HD22 DCL 12 2HD2 DCL 12 -10.980 12.571 -4.658
101 HD23 DCL 12 3HD2 DCL 12 -11.525 10.950 -4.048
102 HXT DCL 12 4H1 DCL 12 -8.314 14.021 -0.181
Start of MODEL 10
1 H1 ACE 1 1H1 ACE 1 2.402 0.174 1.898
2 H2 ACE 1 2H1 ACE 1 1.635 -0.106 3.479
3 H3 ACE 1 3H1 ACE 1 1.074 -1.002 2.047
4 H AIB 2 HN AIB 2 1.801 1.750 0.697
5 HB11 AIB 2 1HB1 AIB 2 -0.725 4.907 1.590
6 HB12 AIB 2 2HB1 AIB 2 -0.841 3.467 2.689
7 HB13 AIB 2 3HB1 AIB 2 0.771 4.240 2.370
8 HB21 AIB 2 1HB2 AIB 2 -1.524 2.802 -0.801
9 HB22 AIB 2 2HB2 AIB 2 -1.378 1.410 0.353
10 HB23 AIB 2 3HB2 AIB 2 -2.169 2.954 0.887
11 H ASN 3 HN ASN 3 1.644 2.256 -1.125
12 HA ASN 3 HA ASN 3 2.704 4.730 -1.895
13 HB2 ASN 3 2HB ASN 3 2.863 1.976 -2.792
14 HB3 ASN 3 3HB ASN 3 2.860 3.092 -4.154
15 HD21 ASN 3 1HD2 ASN 3 4.613 4.345 -4.537
16 HD22 ASN 3 2HD2 ASN 3 6.078 4.256 -3.625
17 H ILE 4 HN ILE 4 -0.307 3.267 -2.608
18 HA ILE 4 HA ILE 4 -0.777 4.755 -5.041
19 HB ILE 4 HB ILE 4 -2.807 3.249 -3.396
20 HG12 ILE 4 2HG1 ILE 4 -2.226 1.595 -5.470
21 HG13 ILE 4 3HG1 ILE 4 -0.641 2.300 -5.169
22 HG21 ILE 4 1HG2 ILE 4 -3.030 4.862 -5.685
23 HG22 ILE 4 2HG2 ILE 4 -3.211 3.196 -6.230
24 HG23 ILE 4 3HG2 ILE 4 -4.265 3.830 -4.966
25 HD11 ILE 4 1HD1 ILE 4 -1.435 0.109 -3.955
26 HD12 ILE 4 2HD1 ILE 4 -0.440 1.310 -3.129
27 HD13 ILE 4 3HD1 ILE 4 -2.181 1.266 -2.853
28 H ILE 5 HN ILE 5 -1.253 5.195 -1.655
29 HA ILE 5 HA ILE 5 -3.363 7.104 -1.805
30 HB ILE 5 HB ILE 5 -1.333 6.654 0.386
31 HG12 ILE 5 2HG1 ILE 5 -2.740 4.682 -0.132
32 HG13 ILE 5 3HG1 ILE 5 -3.073 5.339 1.466
33 HG21 ILE 5 1HG2 ILE 5 -3.329 7.699 1.722
34 HG22 ILE 5 2HG2 ILE 5 -2.157 8.732 0.906
35 HG23 ILE 5 3HG2 ILE 5 -3.724 8.418 0.161
36 HD11 ILE 5 1HD1 ILE 5 -5.082 6.388 0.661
37 HD12 ILE 5 2HD1 ILE 5 -4.726 5.874 -0.989
38 HD13 ILE 5 3HD1 ILE 5 -5.101 4.674 0.248
39 H AIB 6 HN AIB 6 0.179 7.208 -1.776
40 HB11 AIB 6 1HB1 AIB 6 2.497 9.486 -3.309
41 HB12 AIB 6 2HB1 AIB 6 2.675 8.975 -1.577
42 HB13 AIB 6 3HB1 AIB 6 2.037 7.804 -2.809
43 HB21 AIB 6 1HB2 AIB 6 -0.319 10.840 -0.955
44 HB22 AIB 6 2HB2 AIB 6 0.797 9.713 -0.075
45 HB23 AIB 6 3HB2 AIB 6 1.477 11.027 -1.126
46 HA PRO 7 HA PRO 7 0.030 11.001 -6.023
47 HB2 PRO 7 2HB PRO 7 -1.043 9.102 -7.640
48 HB3 PRO 7 3HB PRO 7 0.697 9.269 -7.378
49 HG2 PRO 7 2HG PRO 7 -1.235 7.363 -6.115
50 HG3 PRO 7 3HG PRO 7 0.400 7.056 -6.730
51 HD2 PRO 7 2HD PRO 7 -0.126 7.387 -4.095
52 HD3 PRO 7 3HD PRO 7 1.407 7.893 -4.833
53 H LEU 8 HN LEU 8 -2.356 8.661 -4.817
54 HA LEU 8 HA LEU 8 -4.614 9.900 -5.979
55 HB2 LEU 8 2HB LEU 8 -4.261 8.009 -3.674
56 HB3 LEU 8 3HB LEU 8 -5.847 8.620 -4.141
57 HG LEU 8 HG LEU 8 -4.005 6.954 -5.856
58 HD11 LEU 8 1HD1 LEU 8 -5.736 5.241 -5.617
59 HD12 LEU 8 2HD1 LEU 8 -6.624 6.293 -4.515
60 HD13 LEU 8 3HD1 LEU 8 -5.035 5.679 -4.059
61 HD21 LEU 8 1HD2 LEU 8 -5.167 8.337 -7.347
62 HD22 LEU 8 2HD2 LEU 8 -6.651 8.268 -6.396
63 HD23 LEU 8 3HD2 LEU 8 -6.112 6.849 -7.296
64 H LEU 9 HN LEU 9 -2.636 10.820 -3.393
65 HA LEU 9 HA LEU 9 -4.561 12.137 -1.766
66 HB2 LEU 9 2HB LEU 9 -2.371 11.475 -0.923
67 HB3 LEU 9 3HB LEU 9 -1.594 12.596 -2.039
68 HG LEU 9 HG LEU 9 -3.074 14.361 -0.740
69 HD11 LEU 9 1HD1 LEU 9 -3.954 13.739 1.207
70 HD12 LEU 9 2HD1 LEU 9 -2.496 12.867 1.679
71 HD13 LEU 9 3HD1 LEU 9 -3.710 12.076 0.674
72 HD21 LEU 9 1HD2 LEU 9 -0.453 13.797 -0.858
73 HD22 LEU 9 2HD2 LEU 9 -0.749 13.472 0.850
74 HD23 LEU 9 3HD2 LEU 9 -1.128 15.057 0.176
75 H AIB 10 HN AIB 10 -2.438 13.076 -4.456
76 HB11 AIB 10 1HB1 AIB 10 -2.100 13.860 -6.417
77 HB12 AIB 10 2HB1 AIB 10 -2.980 15.264 -7.158
78 HB13 AIB 10 3HB1 AIB 10 -1.445 15.541 -6.230
79 HB21 AIB 10 1HB2 AIB 10 -3.297 16.518 -3.362
80 HB22 AIB 10 2HB2 AIB 10 -1.614 15.998 -3.795
81 HB23 AIB 10 3HB2 AIB 10 -2.507 17.162 -4.863
82 HA PRO 11 HA PRO 11 -6.855 15.666 -6.961
83 HB2 PRO 11 2HB PRO 11 -8.056 13.251 -7.278
84 HB3 PRO 11 3HB PRO 11 -6.867 13.890 -8.420
85 HG2 PRO 11 2HG PRO 11 -6.495 11.904 -6.211
86 HG3 PRO 11 3HG PRO 11 -5.851 11.874 -7.864
87 HD2 PRO 11 2HD PRO 11 -4.366 12.649 -5.736
88 HD3 PRO 11 3HD PRO 11 -4.140 13.333 -7.358
89 HN1 DCL 12 HN DCL 12 -6.544 13.137 -4.474
90 HA DCL 12 HA DCL 12 -9.067 14.269 -3.091
91 HC1 DCL 12 2HB1 DCL 12 -6.444 13.204 -1.817
92 HC2 DCL 12 3HB1 DCL 12 -7.014 14.927 -1.831
93 HB1 DCL 12 2HB DCL 12 -7.884 11.426 -3.167
94 HB2 DCL 12 3HB DCL 12 -9.143 11.951 -1.970
95 HG DCL 12 HG DCL 12 -9.792 12.656 -4.792
96 HD11 DCL 12 1HD1 DCL 12 -11.378 10.828 -2.903
97 HD12 DCL 12 2HD1 DCL 12 -11.182 12.585 -2.493
98 HD13 DCL 12 3HD1 DCL 12 -11.984 12.099 -4.048
99 HD21 DCL 12 1HD2 DCL 12 -8.763 10.581 -5.419
100 HD22 DCL 12 2HD2 DCL 12 -9.406 9.728 -3.952
101 HD23 DCL 12 3HD2 DCL 12 -10.538 10.235 -5.279
102 HXT DCL 12 4H1 DCL 12 -8.243 14.372 0.002
Start of MODEL 11
1 H1 ACE 1 1H1 ACE 1 2.321 0.009 1.768
2 H2 ACE 1 2H1 ACE 1 1.905 0.131 3.495
3 H3 ACE 1 3H1 ACE 1 1.025 -1.006 2.445
4 H AIB 2 HN AIB 2 1.859 1.769 0.788
5 HB11 AIB 2 1HB1 AIB 2 0.491 4.822 1.922
6 HB12 AIB 2 2HB1 AIB 2 -1.262 4.354 1.915
7 HB13 AIB 2 3HB1 AIB 2 -0.073 3.408 2.908
8 HB21 AIB 2 1HB2 AIB 2 -1.580 2.987 -0.681
9 HB22 AIB 2 2HB2 AIB 2 -1.210 1.392 0.100
10 HB23 AIB 2 3HB2 AIB 2 -2.093 2.676 1.030
11 H ASN 3 HN ASN 3 1.739 2.267 -1.039
12 HA ASN 3 HA ASN 3 2.779 4.756 -1.791
13 HB2 ASN 3 2HB ASN 3 3.335 2.124 -2.396
14 HB3 ASN 3 3HB ASN 3 2.760 2.759 -3.934
15 HD21 ASN 3 1HD2 ASN 3 4.033 4.088 -5.093
16 HD22 ASN 3 2HD2 ASN 3 5.615 4.588 -4.609
17 H ILE 4 HN ILE 4 -0.190 3.243 -2.573
18 HA ILE 4 HA ILE 4 -0.623 4.715 -5.022
19 HB ILE 4 HB ILE 4 -2.670 3.183 -3.422
20 HG12 ILE 4 2HG1 ILE 4 -2.009 1.534 -5.480
21 HG13 ILE 4 3HG1 ILE 4 -0.444 2.262 -5.132
22 HG21 ILE 4 1HG2 ILE 4 -4.097 3.739 -5.027
23 HG22 ILE 4 2HG2 ILE 4 -2.860 4.784 -5.722
24 HG23 ILE 4 3HG2 ILE 4 -3.007 3.113 -6.263
25 HD11 ILE 4 1HD1 ILE 4 -1.826 1.406 -2.731
26 HD12 ILE 4 2HD1 ILE 4 -1.545 0.087 -3.869
27 HD13 ILE 4 3HD1 ILE 4 -0.190 1.054 -3.288
28 H ILE 5 HN ILE 5 -1.188 5.161 -1.651
29 HA ILE 5 HA ILE 5 -3.324 7.035 -1.860
30 HB ILE 5 HB ILE 5 -1.341 6.625 0.382
31 HG12 ILE 5 2HG1 ILE 5 -2.703 4.628 -0.163
32 HG13 ILE 5 3HG1 ILE 5 -3.086 5.286 1.425
33 HG21 ILE 5 1HG2 ILE 5 -3.201 7.693 1.739
34 HG22 ILE 5 2HG2 ILE 5 -2.271 8.764 0.692
35 HG23 ILE 5 3HG2 ILE 5 -3.876 8.226 0.200
36 HD11 ILE 5 1HD1 ILE 5 -4.686 5.767 -1.077
37 HD12 ILE 5 2HD1 ILE 5 -5.077 4.592 0.179
38 HD13 ILE 5 3HD1 ILE 5 -5.085 6.316 0.550
39 H AIB 6 HN AIB 6 0.215 7.195 -1.745
40 HB11 AIB 6 1HB1 AIB 6 2.705 9.110 -1.531
41 HB12 AIB 6 2HB1 AIB 6 2.101 7.789 -2.617
42 HB13 AIB 6 3HB1 AIB 6 2.495 9.422 -3.305
43 HB21 AIB 6 1HB2 AIB 6 0.900 9.740 -0.055
44 HB22 AIB 6 2HB2 AIB 6 1.336 11.121 -1.148
45 HB23 AIB 6 3HB2 AIB 6 -0.407 10.706 -0.860
46 HA PRO 7 HA PRO 7 0.111 10.969 -6.008
47 HB2 PRO 7 2HB PRO 7 -0.893 9.049 -7.644
48 HB3 PRO 7 3HB PRO 7 0.837 9.244 -7.340
49 HG2 PRO 7 2HG PRO 7 -1.096 7.312 -6.117
50 HG3 PRO 7 3HG PRO 7 0.558 7.028 -6.691
51 HD2 PRO 7 2HD PRO 7 -0.037 7.361 -4.070
52 HD3 PRO 7 3HD PRO 7 1.506 7.887 -4.774
53 H LEU 8 HN LEU 8 -2.268 8.598 -4.852
54 HA LEU 8 HA LEU 8 -4.516 9.798 -6.073
55 HB2 LEU 8 2HB LEU 8 -4.190 7.920 -3.753
56 HB3 LEU 8 3HB LEU 8 -5.773 8.505 -4.260
57 HG LEU 8 HG LEU 8 -3.866 6.862 -5.923
58 HD11 LEU 8 1HD1 LEU 8 -5.555 5.117 -5.713
59 HD12 LEU 8 2HD1 LEU 8 -6.514 6.160 -4.664
60 HD13 LEU 8 3HD1 LEU 8 -4.931 5.591 -4.133
61 HD21 LEU 8 1HD2 LEU 8 -6.363 8.334 -6.556
62 HD22 LEU 8 2HD2 LEU 8 -6.147 6.737 -7.274
63 HD23 LEU 8 3HD2 LEU 8 -4.954 8.003 -7.564
64 H LEU 9 HN LEU 9 -2.615 10.757 -3.443
65 HA LEU 9 HA LEU 9 -4.599 12.050 -1.868
66 HB2 LEU 9 2HB LEU 9 -2.420 11.424 -0.970
67 HB3 LEU 9 3HB LEU 9 -1.633 12.553 -2.071
68 HG LEU 9 HG LEU 9 -2.759 14.420 -0.903
69 HD11 LEU 9 1HD1 LEU 9 -3.497 13.405 1.528
70 HD12 LEU 9 2HD1 LEU 9 -4.119 12.195 0.407
71 HD13 LEU 9 3HD1 LEU 9 -4.601 13.883 0.239
72 HD21 LEU 9 1HD2 LEU 9 -1.345 12.822 1.185
73 HD22 LEU 9 2HD2 LEU 9 -1.204 14.536 0.793
74 HD23 LEU 9 3HD2 LEU 9 -0.479 13.326 -0.267
75 H AIB 10 HN AIB 10 -2.426 13.012 -4.509
76 HB11 AIB 10 1HB1 AIB 10 -1.516 15.603 -6.343
77 HB12 AIB 10 2HB1 AIB 10 -1.918 13.835 -6.382
78 HB13 AIB 10 3HB1 AIB 10 -2.982 15.028 -7.243
79 HB21 AIB 10 1HB2 AIB 10 -1.595 16.017 -3.985
80 HB22 AIB 10 2HB2 AIB 10 -2.708 17.134 -4.883
81 HB23 AIB 10 3HB2 AIB 10 -3.266 16.333 -3.353
82 HA PRO 11 HA PRO 11 -6.820 15.525 -7.131
83 HB2 PRO 11 2HB PRO 11 -7.976 13.092 -7.467
84 HB3 PRO 11 3HB PRO 11 -6.770 13.745 -8.582
85 HG2 PRO 11 2HG PRO 11 -6.421 11.772 -6.358
86 HG3 PRO 11 3HG PRO 11 -5.737 11.746 -7.994
87 HD2 PRO 11 2HD PRO 11 -4.316 12.551 -5.834
88 HD3 PRO 11 3HD PRO 11 -4.061 13.233 -7.453
89 HN1 DCL 12 HN DCL 12 -6.594 12.937 -4.683
90 HA DCL 12 HA DCL 12 -9.242 13.901 -3.440
91 HC1 DCL 12 2HB1 DCL 12 -6.612 13.383 -1.876
92 HC2 DCL 12 3HB1 DCL 12 -7.312 15.019 -2.230
93 HB1 DCL 12 2HB DCL 12 -8.077 11.299 -3.906
94 HB2 DCL 12 3HB DCL 12 -8.092 11.567 -2.111
95 HG DCL 12 HG DCL 12 -10.176 10.479 -2.829
96 HD11 DCL 12 1HD1 DCL 12 -10.916 13.003 -4.413
97 HD12 DCL 12 2HD1 DCL 12 -9.936 11.697 -5.207
98 HD13 DCL 12 3HD1 DCL 12 -11.588 11.323 -4.553
99 HD21 DCL 12 1HD2 DCL 12 -10.808 13.430 -2.247
100 HD22 DCL 12 2HD2 DCL 12 -11.790 11.966 -1.816
101 HD23 DCL 12 3HD2 DCL 12 -10.197 12.265 -0.997
102 HXT DCL 12 4H1 DCL 12 -8.656 14.662 -0.427
Start of MODEL 12
1 H1 ACE 1 1H1 ACE 1 2.217 -0.292 1.448
2 H2 ACE 1 2H1 ACE 1 1.931 -0.050 3.188
3 H3 ACE 1 3H1 ACE 1 1.009 -1.285 2.297
4 H AIB 2 HN AIB 2 1.787 1.635 0.676
5 HB11 AIB 2 1HB1 AIB 2 -1.603 3.834 1.802
6 HB12 AIB 2 2HB1 AIB 2 -0.296 3.025 2.768
7 HB13 AIB 2 3HB1 AIB 2 0.063 4.551 1.852
8 HB21 AIB 2 1HB2 AIB 2 -2.221 2.219 0.725
9 HB22 AIB 2 2HB2 AIB 2 -1.653 2.728 -0.921
10 HB23 AIB 2 3HB2 AIB 2 -1.189 1.101 -0.263
11 H ASN 3 HN ASN 3 1.745 2.246 -1.118
12 HA ASN 3 HA ASN 3 2.641 4.848 -1.642
13 HB2 ASN 3 2HB ASN 3 3.487 2.346 -2.327
14 HB3 ASN 3 3HB ASN 3 2.878 2.934 -3.872
15 HD21 ASN 3 1HD2 ASN 3 4.144 4.201 -5.045
16 HD22 ASN 3 2HD2 ASN 3 5.603 4.948 -4.496
17 H ILE 4 HN ILE 4 -0.149 3.181 -2.717
18 HA ILE 4 HA ILE 4 -0.538 4.750 -5.106
19 HB ILE 4 HB ILE 4 -2.553 3.013 -3.681
20 HG12 ILE 4 2HG1 ILE 4 -1.762 1.518 -5.779
21 HG13 ILE 4 3HG1 ILE 4 -0.253 2.358 -5.439
22 HG21 ILE 4 1HG2 ILE 4 -3.962 3.704 -5.248
23 HG22 ILE 4 2HG2 ILE 4 -2.706 4.714 -5.961
24 HG23 ILE 4 3HG2 ILE 4 -2.894 3.040 -6.484
25 HD11 ILE 4 1HD1 ILE 4 -1.562 1.251 -3.073
26 HD12 ILE 4 2HD1 ILE 4 -1.060 0.049 -4.263
27 HD13 ILE 4 3HD1 ILE 4 0.123 1.170 -3.589
28 H ILE 5 HN ILE 5 -1.271 5.045 -1.761
29 HA ILE 5 HA ILE 5 -3.530 6.753 -1.965
30 HB ILE 5 HB ILE 5 -1.530 6.497 0.284
31 HG12 ILE 5 2HG1 ILE 5 -2.696 4.388 -0.286
32 HG13 ILE 5 3HG1 ILE 5 -3.153 4.993 1.303
33 HG21 ILE 5 1HG2 ILE 5 -2.753 8.581 0.438
34 HG22 ILE 5 2HG2 ILE 5 -4.281 7.727 0.231
35 HG23 ILE 5 3HG2 ILE 5 -3.313 7.463 1.681
36 HD11 ILE 5 1HD1 ILE 5 -5.220 5.885 0.364
37 HD12 ILE 5 2HD1 ILE 5 -4.761 5.272 -1.225
38 HD13 ILE 5 3HD1 ILE 5 -5.077 4.148 0.097
39 H AIB 6 HN AIB 6 -0.017 7.222 -1.783
40 HB11 AIB 6 1HB1 AIB 6 2.107 9.651 -3.261
41 HB12 AIB 6 2HB1 AIB 6 2.275 9.354 -1.479
42 HB13 AIB 6 3HB1 AIB 6 1.836 7.987 -2.590
43 HB21 AIB 6 1HB2 AIB 6 -1.001 10.631 -0.912
44 HB22 AIB 6 2HB2 AIB 6 0.414 9.850 -0.088
45 HB23 AIB 6 3HB2 AIB 6 0.675 11.265 -1.194
46 HA PRO 7 HA PRO 7 -0.306 10.955 -6.067
47 HB2 PRO 7 2HB PRO 7 -1.049 8.940 -7.728
48 HB3 PRO 7 3HB PRO 7 0.640 9.306 -7.357
49 HG2 PRO 7 2HG PRO 7 -1.141 7.196 -6.198
50 HG3 PRO 7 3HG PRO 7 0.555 7.075 -6.704
51 HD2 PRO 7 2HD PRO 7 -0.177 7.356 -4.112
52 HD3 PRO 7 3HD PRO 7 1.334 8.029 -4.756
53 H LEU 8 HN LEU 8 -2.436 8.951 -4.289
54 HA LEU 8 HA LEU 8 -4.787 9.654 -5.842
55 HB2 LEU 8 2HB LEU 8 -4.250 7.927 -3.465
56 HB3 LEU 8 3HB LEU 8 -5.896 8.457 -3.803
57 HG LEU 8 HG LEU 8 -4.188 6.929 -5.761
58 HD11 LEU 8 1HD1 LEU 8 -6.292 5.920 -3.853
59 HD12 LEU 8 2HD1 LEU 8 -4.569 5.550 -3.807
60 HD13 LEU 8 3HD1 LEU 8 -5.557 4.982 -5.153
61 HD21 LEU 8 1HD2 LEU 8 -7.062 7.794 -5.691
62 HD22 LEU 8 2HD2 LEU 8 -6.514 6.454 -6.699
63 HD23 LEU 8 3HD2 LEU 8 -5.855 8.072 -6.947
64 H LEU 9 HN LEU 9 -3.098 10.715 -3.011
65 HA LEU 9 HA LEU 9 -5.247 12.138 -1.803
66 HB2 LEU 9 2HB LEU 9 -3.471 11.603 -0.381
67 HB3 LEU 9 3HB LEU 9 -2.264 12.202 -1.518
68 HG LEU 9 HG LEU 9 -4.064 14.292 -0.580
69 HD11 LEU 9 1HD1 LEU 9 -2.176 13.369 1.518
70 HD12 LEU 9 2HD1 LEU 9 -3.736 12.558 1.383
71 HD13 LEU 9 3HD1 LEU 9 -3.669 14.297 1.664
72 HD21 LEU 9 1HD2 LEU 9 -2.130 14.960 -1.710
73 HD22 LEU 9 2HD2 LEU 9 -1.105 13.848 -0.803
74 HD23 LEU 9 3HD2 LEU 9 -1.770 15.278 -0.012
75 H AIB 10 HN AIB 10 -2.652 12.914 -4.099
76 HB11 AIB 10 1HB1 AIB 10 -2.711 14.851 -6.940
77 HB12 AIB 10 2HB1 AIB 10 -1.355 15.391 -5.862
78 HB13 AIB 10 3HB1 AIB 10 -1.842 13.643 -5.904
79 HB21 AIB 10 1HB2 AIB 10 -3.366 16.212 -3.078
80 HB22 AIB 10 2HB2 AIB 10 -1.672 15.947 -3.672
81 HB23 AIB 10 3HB2 AIB 10 -2.789 17.056 -4.576
82 HA PRO 11 HA PRO 11 -6.488 15.574 -7.381
83 HB2 PRO 11 2HB PRO 11 -7.730 13.199 -7.814
84 HB3 PRO 11 3HB PRO 11 -6.344 13.746 -8.765
85 HG2 PRO 11 2HG PRO 11 -6.426 11.833 -6.464
86 HG3 PRO 11 3HG PRO 11 -5.525 11.714 -7.987
87 HD2 PRO 11 2HD PRO 11 -4.372 12.510 -5.670
88 HD3 PRO 11 3HD PRO 11 -3.854 13.122 -7.254
89 HN1 DCL 12 HN DCL 12 -6.311 13.910 -4.400
90 HA DCL 12 HA DCL 12 -9.311 14.123 -3.837
91 HC1 DCL 12 2HB1 DCL 12 -7.583 15.345 -1.688
92 HC2 DCL 12 3HB1 DCL 12 -7.674 16.305 -3.225
93 HB1 DCL 12 2HB DCL 12 -6.956 12.667 -2.681
94 HB2 DCL 12 3HB DCL 12 -8.111 13.335 -1.451
95 HG DCL 12 HG DCL 12 -9.995 12.185 -2.560
96 HD11 DCL 12 1HD1 DCL 12 -7.496 10.448 -1.989
97 HD12 DCL 12 2HD1 DCL 12 -8.791 10.932 -0.813
98 HD13 DCL 12 3HD1 DCL 12 -9.173 9.775 -2.159
99 HD21 DCL 12 1HD2 DCL 12 -8.707 10.293 -4.269
100 HD22 DCL 12 2HD2 DCL 12 -9.853 11.619 -4.738
101 HD23 DCL 12 3HD2 DCL 12 -8.062 11.919 -4.748
102 HXT DCL 12 4H1 DCL 12 -9.777 16.873 -2.562
Start of MODEL 13
1 H1 ACE 1 1H1 ACE 1 1.181 -0.945 2.408
2 H2 ACE 1 2H1 ACE 1 2.415 0.110 1.677
3 H3 ACE 1 3H1 ACE 1 2.019 0.267 3.406
4 H AIB 2 HN AIB 2 1.904 1.902 0.752
5 HB11 AIB 2 1HB1 AIB 2 -1.434 4.188 1.862
6 HB12 AIB 2 2HB1 AIB 2 -0.114 3.409 2.833
7 HB13 AIB 2 3HB1 AIB 2 0.242 4.883 1.835
8 HB21 AIB 2 1HB2 AIB 2 -2.114 2.583 0.860
9 HB22 AIB 2 2HB2 AIB 2 -1.534 2.891 -0.831
10 HB23 AIB 2 3HB2 AIB 2 -1.123 1.331 0.000
11 H ASN 3 HN ASN 3 1.812 2.422 -1.068
12 HA ASN 3 HA ASN 3 2.710 4.986 -1.749
13 HB2 ASN 3 2HB ASN 3 3.121 2.263 -2.692
14 HB3 ASN 3 3HB ASN 3 3.154 3.429 -4.012
15 HD21 ASN 3 1HD2 ASN 3 5.230 3.666 -4.480
16 HD22 ASN 3 2HD2 ASN 3 6.473 4.072 -3.350
17 H ILE 4 HN ILE 4 -0.124 3.293 -2.655
18 HA ILE 4 HA ILE 4 -0.574 4.749 -5.104
19 HB ILE 4 HB ILE 4 -2.556 3.096 -3.540
20 HG12 ILE 4 2HG1 ILE 4 -1.836 1.496 -5.585
21 HG13 ILE 4 3HG1 ILE 4 -0.313 2.341 -5.329
22 HG21 ILE 4 1HG2 ILE 4 -4.003 3.749 -5.090
23 HG22 ILE 4 2HG2 ILE 4 -2.749 4.674 -5.914
24 HG23 ILE 4 3HG2 ILE 4 -2.999 2.976 -6.317
25 HD11 ILE 4 1HD1 ILE 4 0.143 1.078 -3.574
26 HD12 ILE 4 2HD1 ILE 4 -1.399 1.485 -2.819
27 HD13 ILE 4 3HD1 ILE 4 -1.296 0.128 -3.941
28 H ILE 5 HN ILE 5 -1.206 5.206 -1.756
29 HA ILE 5 HA ILE 5 -3.459 6.924 -1.980
30 HB ILE 5 HB ILE 5 -1.407 6.744 0.230
31 HG12 ILE 5 2HG1 ILE 5 -2.607 4.625 -0.221
32 HG13 ILE 5 3HG1 ILE 5 -3.018 5.302 1.351
33 HG21 ILE 5 1HG2 ILE 5 -2.401 8.563 1.038
34 HG22 ILE 5 2HG2 ILE 5 -3.662 8.504 -0.192
35 HG23 ILE 5 3HG2 ILE 5 -3.833 7.566 1.291
36 HD11 ILE 5 1HD1 ILE 5 -4.831 6.239 -0.679
37 HD12 ILE 5 2HD1 ILE 5 -4.771 4.476 -0.633
38 HD13 ILE 5 3HD1 ILE 5 -5.165 5.384 0.827
39 H AIB 6 HN AIB 6 0.064 7.367 -1.885
40 HB11 AIB 6 1HB1 AIB 6 2.389 9.509 -1.755
41 HB12 AIB 6 2HB1 AIB 6 1.905 8.073 -2.752
42 HB13 AIB 6 3HB1 AIB 6 2.161 9.685 -3.546
43 HB21 AIB 6 1HB2 AIB 6 1.023 11.266 -1.333
44 HB22 AIB 6 2HB2 AIB 6 -0.777 11.039 -1.320
45 HB23 AIB 6 3HB2 AIB 6 0.279 9.982 -0.290
46 HA PRO 7 HA PRO 7 -0.310 10.925 -6.318
47 HB2 PRO 7 2HB PRO 7 -1.127 8.854 -7.873
48 HB3 PRO 7 3HB PRO 7 0.577 9.211 -7.565
49 HG2 PRO 7 2HG PRO 7 -1.196 7.176 -6.270
50 HG3 PRO 7 3HG PRO 7 0.482 7.011 -6.819
51 HD2 PRO 7 2HD PRO 7 -0.169 7.406 -4.220
52 HD3 PRO 7 3HD PRO 7 1.331 8.032 -4.935
53 H LEU 8 HN LEU 8 -2.410 9.036 -4.390
54 HA LEU 8 HA LEU 8 -4.798 9.693 -5.904
55 HB2 LEU 8 2HB LEU 8 -4.208 8.081 -3.462
56 HB3 LEU 8 3HB LEU 8 -5.857 8.619 -3.769
57 HG LEU 8 HG LEU 8 -4.234 6.957 -5.692
58 HD11 LEU 8 1HD1 LEU 8 -5.900 5.166 -4.930
59 HD12 LEU 8 2HD1 LEU 8 -6.136 6.183 -3.509
60 HD13 LEU 8 3HD1 LEU 8 -4.538 5.533 -3.872
61 HD21 LEU 8 1HD2 LEU 8 -7.154 7.703 -5.588
62 HD22 LEU 8 2HD2 LEU 8 -6.446 6.541 -6.710
63 HD23 LEU 8 3HD2 LEU 8 -5.968 8.238 -6.778
64 H LEU 9 HN LEU 9 -3.030 10.847 -3.150
65 HA LEU 9 HA LEU 9 -5.126 12.377 -1.983
66 HB2 LEU 9 2HB LEU 9 -2.134 12.442 -1.748
67 HB3 LEU 9 3HB LEU 9 -3.158 13.604 -0.908
68 HG LEU 9 HG LEU 9 -3.279 10.612 -0.534
69 HD11 LEU 9 1HD1 LEU 9 -2.453 11.804 1.825
70 HD12 LEU 9 2HD1 LEU 9 -1.517 12.624 0.575
71 HD13 LEU 9 3HD1 LEU 9 -1.455 10.867 0.712
72 HD21 LEU 9 1HD2 LEU 9 -5.097 10.930 0.710
73 HD22 LEU 9 2HD2 LEU 9 -5.187 12.545 0.009
74 HD23 LEU 9 3HD2 LEU 9 -4.372 12.298 1.554
75 H AIB 10 HN AIB 10 -2.554 12.977 -4.353
76 HB11 AIB 10 1HB1 AIB 10 -2.579 14.911 -7.278
77 HB12 AIB 10 2HB1 AIB 10 -1.168 15.233 -6.183
78 HB13 AIB 10 3HB1 AIB 10 -1.874 13.564 -6.289
79 HB21 AIB 10 1HB2 AIB 10 -3.348 16.641 -3.790
80 HB22 AIB 10 2HB2 AIB 10 -1.721 15.845 -3.696
81 HB23 AIB 10 3HB2 AIB 10 -2.119 16.936 -5.091
82 HA PRO 11 HA PRO 11 -6.385 15.618 -7.666
83 HB2 PRO 11 2HB PRO 11 -7.705 13.266 -7.979
84 HB3 PRO 11 3HB PRO 11 -6.326 13.734 -8.981
85 HG2 PRO 11 2HG PRO 11 -6.411 11.914 -6.606
86 HG3 PRO 11 3HG PRO 11 -5.549 11.710 -8.142
87 HD2 PRO 11 2HD PRO 11 -4.320 12.559 -5.884
88 HD3 PRO 11 3HD PRO 11 -3.821 13.094 -7.501
89 HN1 DCL 12 HN DCL 12 -6.193 14.048 -4.632
90 HA DCL 12 HA DCL 12 -9.171 14.475 -4.015
91 HC1 DCL 12 2HB1 DCL 12 -7.476 15.449 -1.790
92 HC2 DCL 12 3HB1 DCL 12 -7.142 16.380 -3.312
93 HB1 DCL 12 2HB DCL 12 -6.896 12.860 -2.822
94 HB2 DCL 12 3HB DCL 12 -8.166 13.484 -1.686
95 HG DCL 12 HG DCL 12 -8.842 11.960 -4.262
96 HD11 DCL 12 1HD1 DCL 12 -10.513 13.469 -2.865
97 HD12 DCL 12 2HD1 DCL 12 -11.031 11.779 -3.277
98 HD13 DCL 12 3HD1 DCL 12 -10.408 12.158 -1.615
99 HD21 DCL 12 1HD2 DCL 12 -9.348 10.094 -2.379
100 HD22 DCL 12 2HD2 DCL 12 -7.736 10.224 -3.202
101 HD23 DCL 12 3HD2 DCL 12 -7.971 10.933 -1.547
102 HXT DCL 12 4H1 DCL 12 -9.157 17.378 -2.959
Start of MODEL 14
1 H1 ACE 1 1H1 ACE 1 0.422 0.166 0.082
2 H2 ACE 1 2H1 ACE 1 2.152 0.583 0.040
3 H3 ACE 1 3H1 ACE 1 1.278 0.567 1.590
4 H AIB 2 HN AIB 2 2.148 2.654 1.898
5 HB11 AIB 2 1HB1 AIB 2 2.676 4.479 2.788
6 HB12 AIB 2 2HB1 AIB 2 2.654 6.042 1.869
7 HB13 AIB 2 3HB1 AIB 2 1.312 5.650 3.026
8 HB21 AIB 2 1HB2 AIB 2 -0.381 5.853 1.759
9 HB22 AIB 2 2HB2 AIB 2 -0.749 4.784 0.340
10 HB23 AIB 2 3HB2 AIB 2 -0.691 4.084 2.014
11 H ASN 3 HN ASN 3 2.634 3.427 -0.744
12 HA ASN 3 HA ASN 3 3.223 5.876 -2.138
13 HB2 ASN 3 2HB ASN 3 4.104 3.084 -2.244
14 HB3 ASN 3 3HB ASN 3 3.969 3.833 -3.832
15 HD21 ASN 3 1HD2 ASN 3 6.224 3.031 -1.900
16 HD22 ASN 3 2HD2 ASN 3 7.272 4.405 -1.930
17 H ILE 4 HN ILE 4 0.750 3.518 -2.232
18 HA ILE 4 HA ILE 4 -0.017 4.095 -4.975
19 HB ILE 4 HB ILE 4 -1.374 2.373 -2.897
20 HG12 ILE 4 2HG1 ILE 4 0.337 1.617 -5.276
21 HG13 ILE 4 3HG1 ILE 4 0.844 1.542 -3.592
22 HG21 ILE 4 1HG2 ILE 4 -3.127 2.337 -4.256
23 HG22 ILE 4 2HG2 ILE 4 -2.294 3.377 -5.410
24 HG23 ILE 4 3HG2 ILE 4 -2.110 1.626 -5.509
25 HD11 ILE 4 1HD1 ILE 4 -1.558 0.083 -3.803
26 HD12 ILE 4 2HD1 ILE 4 -0.517 -0.412 -5.138
27 HD13 ILE 4 3HD1 ILE 4 0.067 -0.519 -3.478
28 H ILE 5 HN ILE 5 -1.039 4.853 -1.704
29 HA ILE 5 HA ILE 5 -3.507 6.078 -2.443
30 HB ILE 5 HB ILE 5 -1.871 6.416 0.073
31 HG12 ILE 5 2HG1 ILE 5 -4.234 4.629 -0.546
32 HG13 ILE 5 3HG1 ILE 5 -2.573 4.099 -0.304
33 HG21 ILE 5 1HG2 ILE 5 -3.958 7.234 1.072
34 HG22 ILE 5 2HG2 ILE 5 -3.406 8.270 -0.243
35 HG23 ILE 5 3HG2 ILE 5 -4.738 7.146 -0.506
36 HD11 ILE 5 1HD1 ILE 5 -4.563 5.065 1.687
37 HD12 ILE 5 2HD1 ILE 5 -3.510 3.651 1.736
38 HD13 ILE 5 3HD1 ILE 5 -2.840 5.259 2.011
39 H AIB 6 HN AIB 6 -0.170 7.137 -1.938
40 HB11 AIB 6 1HB1 AIB 6 1.790 9.815 -1.916
41 HB12 AIB 6 2HB1 AIB 6 1.625 8.102 -2.490
42 HB13 AIB 6 3HB1 AIB 6 1.651 9.463 -3.690
43 HB21 AIB 6 1HB2 AIB 6 -1.633 10.154 -1.208
44 HB22 AIB 6 2HB2 AIB 6 0.074 10.107 -0.596
45 HB23 AIB 6 3HB2 AIB 6 -0.402 11.310 -1.869
46 HA PRO 7 HA PRO 7 -0.730 10.426 -6.584
47 HB2 PRO 7 2HB PRO 7 -1.104 8.201 -8.095
48 HB3 PRO 7 3HB PRO 7 0.498 8.825 -7.683
49 HG2 PRO 7 2HG PRO 7 -1.046 6.590 -6.425
50 HG3 PRO 7 3HG PRO 7 0.676 6.664 -6.844
51 HD2 PRO 7 2HD PRO 7 -0.228 7.047 -4.320
52 HD3 PRO 7 3HD PRO 7 1.213 7.869 -4.954
53 H LEU 8 HN LEU 8 -2.666 8.293 -4.735
54 HA LEU 8 HA LEU 8 -4.994 8.467 -6.441
55 HB2 LEU 8 2HB LEU 8 -4.425 7.250 -3.765
56 HB3 LEU 8 3HB LEU 8 -6.080 7.414 -4.346
57 HG LEU 8 HG LEU 8 -3.939 5.934 -5.862
58 HD11 LEU 8 1HD1 LEU 8 -5.901 4.932 -3.814
59 HD12 LEU 8 2HD1 LEU 8 -4.146 4.767 -3.810
60 HD13 LEU 8 3HD1 LEU 8 -5.111 3.888 -4.995
61 HD21 LEU 8 1HD2 LEU 8 -6.704 5.140 -6.211
62 HD22 LEU 8 2HD2 LEU 8 -5.494 5.582 -7.416
63 HD23 LEU 8 3HD2 LEU 8 -6.445 6.837 -6.619
64 H LEU 9 HN LEU 9 -3.774 9.986 -3.521
65 HA LEU 9 HA LEU 9 -6.153 11.719 -3.466
66 HB2 LEU 9 2HB LEU 9 -4.184 11.517 -1.223
67 HB3 LEU 9 3HB LEU 9 -5.874 12.015 -1.177
68 HG LEU 9 HG LEU 9 -4.808 9.209 -1.453
69 HD11 LEU 9 1HD1 LEU 9 -4.774 10.226 0.809
70 HD12 LEU 9 2HD1 LEU 9 -5.847 8.833 0.677
71 HD13 LEU 9 3HD1 LEU 9 -6.517 10.464 0.688
72 HD21 LEU 9 1HD2 LEU 9 -7.362 10.357 -2.234
73 HD22 LEU 9 2HD2 LEU 9 -7.532 9.058 -1.053
74 HD23 LEU 9 3HD2 LEU 9 -6.685 8.764 -2.573
75 H AIB 10 HN AIB 10 -3.654 11.824 -5.165
76 HB11 AIB 10 1HB1 AIB 10 -2.260 14.415 -7.082
77 HB12 AIB 10 2HB1 AIB 10 -1.056 13.277 -6.342
78 HB13 AIB 10 3HB1 AIB 10 -2.682 12.663 -6.868
79 HB21 AIB 10 1HB2 AIB 10 -1.933 13.938 -3.011
80 HB22 AIB 10 2HB2 AIB 10 -0.790 13.207 -4.216
81 HB23 AIB 10 3HB2 AIB 10 -1.073 15.000 -4.204
82 HA PRO 11 HA PRO 11 -4.784 17.274 -6.249
83 HB2 PRO 11 2HB PRO 11 -7.291 16.557 -7.005
84 HB3 PRO 11 3HB PRO 11 -5.904 16.497 -8.099
85 HG2 PRO 11 2HG PRO 11 -7.193 14.283 -6.551
86 HG3 PRO 11 3HG PRO 11 -6.619 14.288 -8.229
87 HD2 PRO 11 2HD PRO 11 -5.191 13.196 -6.204
88 HD3 PRO 11 3HD PRO 11 -4.423 13.959 -7.611
89 HN1 DCL 12 HN DCL 12 -6.314 14.651 -4.437
90 HA DCL 12 HA DCL 12 -8.119 16.511 -2.872
91 HC1 DCL 12 2HB1 DCL 12 -5.710 15.119 -1.497
92 HC2 DCL 12 3HB1 DCL 12 -5.881 16.904 -1.774
93 HB1 DCL 12 2HB DCL 12 -7.928 13.668 -3.381
94 HB2 DCL 12 3HB DCL 12 -7.775 13.917 -1.590
95 HG DCL 12 HG DCL 12 -10.133 13.603 -2.211
96 HD11 DCL 12 1HD1 DCL 12 -9.634 14.643 -4.609
97 HD12 DCL 12 2HD1 DCL 12 -11.259 14.937 -3.855
98 HD13 DCL 12 3HD1 DCL 12 -9.987 16.232 -3.806
99 HD21 DCL 12 1HD2 DCL 12 -9.715 16.592 -1.634
100 HD22 DCL 12 2HD2 DCL 12 -11.099 15.531 -1.133
101 HD23 DCL 12 3HD2 DCL 12 -9.456 15.288 -0.399
102 HXT DCL 12 4H1 DCL 12 -7.141 16.921 0.121
Start of MODEL 15
1 H1 ACE 1 1H1 ACE 1 2.024 0.375 0.132
2 H2 ACE 1 2H1 ACE 1 0.756 0.242 1.374
3 H3 ACE 1 3H1 ACE 1 0.347 0.016 -0.344
4 H AIB 2 HN AIB 2 2.037 2.328 1.782
5 HB11 AIB 2 1HB1 AIB 2 1.387 5.445 2.955
6 HB12 AIB 2 2HB1 AIB 2 2.562 4.070 2.820
7 HB13 AIB 2 3HB1 AIB 2 2.818 5.582 1.849
8 HB21 AIB 2 1HB2 AIB 2 -0.322 5.659 1.792
9 HB22 AIB 2 2HB2 AIB 2 -0.764 4.659 0.344
10 HB23 AIB 2 3HB2 AIB 2 -0.720 3.900 1.992
11 H ASN 3 HN ASN 3 2.532 3.171 -0.837
12 HA ASN 3 HA ASN 3 3.230 5.636 -2.150
13 HB2 ASN 3 2HB ASN 3 3.691 2.729 -2.812
14 HB3 ASN 3 3HB ASN 3 4.177 4.029 -3.897
15 HD21 ASN 3 1HD2 ASN 3 5.687 2.005 -2.288
16 HD22 ASN 3 2HD2 ASN 3 6.845 2.930 -1.402
17 H ILE 4 HN ILE 4 0.638 3.411 -2.295
18 HA ILE 4 HA ILE 4 -0.132 4.128 -5.004
19 HB ILE 4 HB ILE 4 -1.553 2.405 -2.971
20 HG12 ILE 4 2HG1 ILE 4 0.098 1.649 -5.392
21 HG13 ILE 4 3HG1 ILE 4 0.607 1.480 -3.715
22 HG21 ILE 4 1HG2 ILE 4 -3.318 2.490 -4.311
23 HG22 ILE 4 2HG2 ILE 4 -2.454 3.550 -5.423
24 HG23 ILE 4 3HG2 ILE 4 -2.345 1.799 -5.609
25 HD11 ILE 4 1HD1 ILE 4 -1.613 0.060 -3.564
26 HD12 ILE 4 2HD1 ILE 4 -1.308 -0.135 -5.291
27 HD13 ILE 4 3HD1 ILE 4 -0.091 -0.638 -4.119
28 H ILE 5 HN ILE 5 -1.086 4.805 -1.693
29 HA ILE 5 HA ILE 5 -3.491 6.185 -2.354
30 HB ILE 5 HB ILE 5 -1.809 6.351 0.150
31 HG12 ILE 5 2HG1 ILE 5 -2.641 4.085 -0.318
32 HG13 ILE 5 3HG1 ILE 5 -3.438 4.778 1.090
33 HG21 ILE 5 1HG2 ILE 5 -3.134 8.041 0.724
34 HG22 ILE 5 2HG2 ILE 5 -4.134 7.821 -0.711
35 HG23 ILE 5 3HG2 ILE 5 -4.475 6.896 0.751
36 HD11 ILE 5 1HD1 ILE 5 -5.038 3.607 -0.269
37 HD12 ILE 5 2HD1 ILE 5 -5.373 5.338 -0.324
38 HD13 ILE 5 3HD1 ILE 5 -4.576 4.550 -1.685
39 H AIB 6 HN AIB 6 -0.098 7.053 -1.864
40 HB11 AIB 6 1HB1 AIB 6 1.829 9.429 -3.525
41 HB12 AIB 6 2HB1 AIB 6 1.994 9.550 -1.722
42 HB13 AIB 6 3HB1 AIB 6 1.727 7.933 -2.503
43 HB21 AIB 6 1HB2 AIB 6 0.109 9.806 -0.344
44 HB22 AIB 6 2HB2 AIB 6 0.131 11.178 -1.531
45 HB23 AIB 6 3HB2 AIB 6 -1.422 10.307 -1.178
46 HA PRO 7 HA PRO 7 -0.553 10.543 -6.375
47 HB2 PRO 7 2HB PRO 7 -1.051 8.399 -7.965
48 HB3 PRO 7 3HB PRO 7 0.584 8.931 -7.553
49 HG2 PRO 7 2HG PRO 7 -1.047 6.722 -6.360
50 HG3 PRO 7 3HG PRO 7 0.671 6.733 -6.800
51 HD2 PRO 7 2HD PRO 7 -0.181 7.058 -4.251
52 HD3 PRO 7 3HD PRO 7 1.288 7.837 -4.873
53 H LEU 8 HN LEU 8 -2.549 8.055 -4.915
54 HA LEU 8 HA LEU 8 -4.878 8.545 -6.473
55 HB2 LEU 8 2HB LEU 8 -4.382 7.180 -3.847
56 HB3 LEU 8 3HB LEU 8 -6.010 7.378 -4.492
57 HG LEU 8 HG LEU 8 -3.826 5.983 -6.020
58 HD11 LEU 8 1HD1 LEU 8 -4.663 3.883 -5.208
59 HD12 LEU 8 2HD1 LEU 8 -5.897 4.698 -4.248
60 HD13 LEU 8 3HD1 LEU 8 -4.193 4.881 -3.831
61 HD21 LEU 8 1HD2 LEU 8 -5.357 5.841 -7.616
62 HD22 LEU 8 2HD2 LEU 8 -6.462 6.802 -6.633
63 HD23 LEU 8 3HD2 LEU 8 -6.469 5.042 -6.505
64 H LEU 9 HN LEU 9 -3.481 10.040 -3.678
65 HA LEU 9 HA LEU 9 -5.902 11.678 -3.326
66 HB2 LEU 9 2HB LEU 9 -5.121 10.374 -1.358
67 HB3 LEU 9 3HB LEU 9 -3.619 11.294 -1.397
68 HG LEU 9 HG LEU 9 -5.764 13.149 -1.305
69 HD11 LEU 9 1HD1 LEU 9 -7.060 11.191 -0.440
70 HD12 LEU 9 2HD1 LEU 9 -6.936 12.549 0.677
71 HD13 LEU 9 3HD1 LEU 9 -5.930 11.120 0.913
72 HD21 LEU 9 1HD2 LEU 9 -3.783 13.857 -0.384
73 HD22 LEU 9 2HD2 LEU 9 -3.480 12.318 0.423
74 HD23 LEU 9 3HD2 LEU 9 -4.689 13.429 1.068
75 H AIB 10 HN AIB 10 -3.644 11.869 -5.329
76 HB11 AIB 10 1HB1 AIB 10 -2.804 12.661 -7.101
77 HB12 AIB 10 2HB1 AIB 10 -2.569 14.430 -7.429
78 HB13 AIB 10 3HB1 AIB 10 -1.202 13.441 -6.759
79 HB21 AIB 10 1HB2 AIB 10 -0.931 13.265 -4.367
80 HB22 AIB 10 2HB2 AIB 10 -0.930 14.996 -4.910
81 HB23 AIB 10 3HB2 AIB 10 -1.876 14.505 -3.441
82 HA PRO 11 HA PRO 11 -5.145 17.187 -6.463
83 HB2 PRO 11 2HB PRO 11 -7.661 16.303 -6.974
84 HB3 PRO 11 3HB PRO 11 -6.371 16.281 -8.182
85 HG2 PRO 11 2HG PRO 11 -7.389 14.056 -6.459
86 HG3 PRO 11 3HG PRO 11 -6.961 14.032 -8.179
87 HD2 PRO 11 2HD PRO 11 -5.304 13.097 -6.253
88 HD3 PRO 11 3HD PRO 11 -4.705 13.850 -7.745
89 HN1 DCL 12 HN DCL 12 -6.653 14.544 -4.599
90 HA DCL 12 HA DCL 12 -8.351 16.335 -2.916
91 HC1 DCL 12 2HB1 DCL 12 -5.681 15.283 -1.734
92 HC2 DCL 12 3HB1 DCL 12 -6.174 17.018 -1.939
93 HB1 DCL 12 2HB DCL 12 -7.826 13.458 -3.226
94 HB2 DCL 12 3HB DCL 12 -7.809 13.919 -1.471
95 HG DCL 12 HG DCL 12 -10.022 15.128 -3.092
96 HD11 DCL 12 1HD1 DCL 12 -10.184 13.401 -0.549
97 HD12 DCL 12 2HD1 DCL 12 -9.517 15.088 -0.482
98 HD13 DCL 12 3HD1 DCL 12 -11.223 14.806 -1.039
99 HD21 DCL 12 1HD2 DCL 12 -11.317 12.834 -2.684
100 HD22 DCL 12 2HD2 DCL 12 -10.340 13.092 -4.191
101 HD23 DCL 12 3HD2 DCL 12 -9.655 12.118 -2.820
102 HXT DCL 12 4H1 DCL 12 -7.230 16.793 0.065
Start of MODEL 16
1 H1 ACE 1 1H1 ACE 1 -1.417 0.573 0.305
2 H2 ACE 1 2H1 ACE 1 0.043 -0.246 0.909
3 H3 ACE 1 3H1 ACE 1 -1.356 -0.014 1.984
4 H AIB 2 HN AIB 2 0.306 2.079 -0.361
5 HB11 AIB 2 1HB1 AIB 2 2.703 2.806 1.584
6 HB12 AIB 2 2HB1 AIB 2 2.688 4.597 1.875
7 HB13 AIB 2 3HB1 AIB 2 1.654 3.503 2.890
8 HB21 AIB 2 1HB2 AIB 2 -1.072 4.675 0.862
9 HB22 AIB 2 2HB2 AIB 2 -0.343 4.472 2.510
10 HB23 AIB 2 3HB2 AIB 2 0.230 5.807 1.422
11 H ASN 3 HN ASN 3 1.869 2.658 -1.260
12 HA ASN 3 HA ASN 3 3.027 5.041 -2.385
13 HB2 ASN 3 2HB ASN 3 2.825 2.186 -3.337
14 HB3 ASN 3 3HB ASN 3 3.538 3.459 -4.324
15 HD21 ASN 3 1HD2 ASN 3 4.836 1.119 -3.341
16 HD22 ASN 3 2HD2 ASN 3 6.123 1.639 -2.312
17 H ILE 4 HN ILE 4 0.014 3.437 -2.569
18 HA ILE 4 HA ILE 4 -0.693 4.591 -5.144
19 HB ILE 4 HB ILE 4 -2.357 2.953 -3.229
20 HG12 ILE 4 2HG1 ILE 4 -0.971 2.176 -5.804
21 HG13 ILE 4 3HG1 ILE 4 -0.456 1.713 -4.186
22 HG21 ILE 4 1HG2 ILE 4 -3.337 2.830 -5.874
23 HG22 ILE 4 2HG2 ILE 4 -4.115 3.524 -4.453
24 HG23 ILE 4 3HG2 ILE 4 -3.099 4.533 -5.482
25 HD11 ILE 4 1HD1 ILE 4 -2.721 0.716 -5.818
26 HD12 ILE 4 2HD1 ILE 4 -1.580 -0.162 -4.799
27 HD13 ILE 4 3HD1 ILE 4 -2.902 0.745 -4.064
28 H ILE 5 HN ILE 5 -1.367 5.043 -1.727
29 HA ILE 5 HA ILE 5 -3.466 6.938 -2.090
30 HB ILE 5 HB ILE 5 -1.702 6.487 0.320
31 HG12 ILE 5 2HG1 ILE 5 -4.435 5.386 -0.372
32 HG13 ILE 5 3HG1 ILE 5 -2.932 4.470 -0.335
33 HG21 ILE 5 1HG2 ILE 5 -4.304 7.439 0.966
34 HG22 ILE 5 2HG2 ILE 5 -2.742 8.193 1.280
35 HG23 ILE 5 3HG2 ILE 5 -3.590 8.519 -0.231
36 HD11 ILE 5 1HD1 ILE 5 -3.288 4.012 1.793
37 HD12 ILE 5 2HD1 ILE 5 -3.213 5.733 2.174
38 HD13 ILE 5 3HD1 ILE 5 -4.759 4.985 1.771
39 H AIB 6 HN AIB 6 0.047 7.050 -1.720
40 HB11 AIB 6 1HB1 AIB 6 2.325 9.061 -3.249
41 HB12 AIB 6 2HB1 AIB 6 2.625 9.173 -1.463
42 HB13 AIB 6 3HB1 AIB 6 2.016 7.624 -2.186
43 HB21 AIB 6 1HB2 AIB 6 0.747 9.497 0.106
44 HB22 AIB 6 2HB2 AIB 6 1.174 10.941 -0.906
45 HB23 AIB 6 3HB2 AIB 6 -0.566 10.480 -0.668
46 HA PRO 7 HA PRO 7 0.196 11.049 -5.793
47 HB2 PRO 7 2HB PRO 7 -0.756 9.237 -7.576
48 HB3 PRO 7 3HB PRO 7 0.961 9.388 -7.184
49 HG2 PRO 7 2HG PRO 7 -1.051 7.422 -6.159
50 HG3 PRO 7 3HG PRO 7 0.624 7.145 -6.672
51 HD2 PRO 7 2HD PRO 7 -0.087 7.342 -4.067
52 HD3 PRO 7 3HD PRO 7 1.493 7.883 -4.669
53 H LEU 8 HN LEU 8 -2.264 8.653 -4.882
54 HA LEU 8 HA LEU 8 -4.439 9.939 -6.137
55 HB2 LEU 8 2HB LEU 8 -4.285 7.998 -3.845
56 HB3 LEU 8 3HB LEU 8 -5.812 8.579 -4.506
57 HG LEU 8 HG LEU 8 -3.732 7.041 -6.060
58 HD11 LEU 8 1HD1 LEU 8 -5.227 5.153 -5.899
59 HD12 LEU 8 2HD1 LEU 8 -6.371 6.100 -4.949
60 HD13 LEU 8 3HD1 LEU 8 -4.789 5.701 -4.281
61 HD21 LEU 8 1HD2 LEU 8 -5.751 6.764 -7.606
62 HD22 LEU 8 2HD2 LEU 8 -4.933 8.327 -7.602
63 HD23 LEU 8 3HD2 LEU 8 -6.451 8.124 -6.726
64 H LEU 9 HN LEU 9 -2.650 10.752 -3.379
65 HA LEU 9 HA LEU 9 -4.688 12.010 -1.846
66 HB2 LEU 9 2HB LEU 9 -2.560 11.305 -0.878
67 HB3 LEU 9 3HB LEU 9 -1.709 12.477 -1.882
68 HG LEU 9 HG LEU 9 -2.133 13.027 0.602
69 HD11 LEU 9 1HD1 LEU 9 -1.504 14.544 -1.463
70 HD12 LEU 9 2HD1 LEU 9 -1.876 15.239 0.114
71 HD13 LEU 9 3HD1 LEU 9 -3.103 15.219 -1.152
72 HD21 LEU 9 1HD2 LEU 9 -4.744 14.094 -0.367
73 HD22 LEU 9 2HD2 LEU 9 -4.206 13.752 1.278
74 HD23 LEU 9 3HD2 LEU 9 -4.649 12.426 0.201
75 H AIB 10 HN AIB 10 -2.381 13.044 -4.341
76 HB11 AIB 10 1HB1 AIB 10 -2.757 15.271 -6.997
77 HB12 AIB 10 2HB1 AIB 10 -1.296 15.623 -5.981
78 HB13 AIB 10 3HB1 AIB 10 -1.855 13.911 -6.206
79 HB21 AIB 10 1HB2 AIB 10 -1.546 15.969 -3.591
80 HB22 AIB 10 2HB2 AIB 10 -2.494 17.166 -4.571
81 HB23 AIB 10 3HB2 AIB 10 -3.249 16.380 -3.119
82 HA PRO 11 HA PRO 11 -6.611 15.760 -7.032
83 HB2 PRO 11 2HB PRO 11 -7.797 13.369 -7.525
84 HB3 PRO 11 3HB PRO 11 -6.533 14.045 -8.559
85 HG2 PRO 11 2HG PRO 11 -6.317 11.969 -6.412
86 HG3 PRO 11 3HG PRO 11 -5.565 12.001 -8.018
87 HD2 PRO 11 2HD PRO 11 -4.222 12.680 -5.767
88 HD3 PRO 11 3HD PRO 11 -3.885 13.427 -7.342
89 HN1 DCL 12 HN DCL 12 -6.542 13.059 -4.699
90 HA DCL 12 HA DCL 12 -9.125 14.177 -3.421
91 HC1 DCL 12 2HB1 DCL 12 -6.667 12.963 -1.966
92 HC2 DCL 12 3HB1 DCL 12 -7.075 14.730 -2.038
93 HB1 DCL 12 2HB DCL 12 -8.745 11.642 -4.433
94 HB2 DCL 12 3HB DCL 12 -8.178 11.399 -2.726
95 HG DCL 12 HG DCL 12 -10.572 12.952 -2.555
96 HD11 DCL 12 1HD1 DCL 12 -11.390 10.468 -1.801
97 HD12 DCL 12 2HD1 DCL 12 -9.618 10.109 -1.967
98 HD13 DCL 12 3HD1 DCL 12 -10.181 11.401 -0.821
99 HD21 DCL 12 1HD2 DCL 12 -10.639 10.920 -4.793
100 HD22 DCL 12 2HD2 DCL 12 -12.047 10.950 -3.649
101 HD23 DCL 12 3HD2 DCL 12 -11.588 12.449 -4.565
102 HXT DCL 12 4H1 DCL 12 -8.506 14.310 -0.318
Start of MODEL 17
1 H1 ACE 1 1H1 ACE 1 -3.810 1.382 1.445
2 H2 ACE 1 2H1 ACE 1 -3.351 2.242 -0.044
3 H3 ACE 1 3H1 ACE 1 -2.904 0.532 0.171
4 H AIB 2 HN AIB 2 -1.307 2.897 -0.444
5 HB11 AIB 2 1HB1 AIB 2 0.963 1.107 0.736
6 HB12 AIB 2 2HB1 AIB 2 2.316 2.242 1.152
7 HB13 AIB 2 3HB1 AIB 2 1.131 1.735 2.430
8 HB21 AIB 2 1HB2 AIB 2 1.107 4.575 2.485
9 HB22 AIB 2 2HB2 AIB 2 -0.643 4.784 2.055
10 HB23 AIB 2 3HB2 AIB 2 -0.125 3.397 3.104
11 H ASN 3 HN ASN 3 1.830 2.420 -1.019
12 HA ASN 3 HA ASN 3 2.923 4.992 -1.609
13 HB2 ASN 3 2HB ASN 3 3.139 2.253 -2.744
14 HB3 ASN 3 3HB ASN 3 3.538 3.594 -3.814
15 HD21 ASN 3 1HD2 ASN 3 5.531 4.343 -3.738
16 HD22 ASN 3 2HD2 ASN 3 6.667 4.072 -2.465
17 H ILE 4 HN ILE 4 0.140 3.215 -2.644
18 HA ILE 4 HA ILE 4 -0.294 4.714 -5.055
19 HB ILE 4 HB ILE 4 -2.232 2.982 -3.516
20 HG12 ILE 4 2HG1 ILE 4 -1.207 1.900 -6.005
21 HG13 ILE 4 3HG1 ILE 4 0.097 2.235 -4.871
22 HG21 ILE 4 1HG2 ILE 4 -2.510 4.646 -5.863
23 HG22 ILE 4 2HG2 ILE 4 -2.878 2.958 -6.216
24 HG23 ILE 4 3HG2 ILE 4 -3.743 3.799 -4.930
25 HD11 ILE 4 1HD1 ILE 4 -2.257 0.827 -3.789
26 HD12 ILE 4 2HD1 ILE 4 -1.243 -0.066 -4.922
27 HD13 ILE 4 3HD1 ILE 4 -0.541 0.606 -3.451
28 H ILE 5 HN ILE 5 -0.996 5.150 -1.718
29 HA ILE 5 HA ILE 5 -3.234 6.898 -2.028
30 HB ILE 5 HB ILE 5 -1.346 6.596 0.312
31 HG12 ILE 5 2HG1 ILE 5 -4.047 5.347 -0.241
32 HG13 ILE 5 3HG1 ILE 5 -2.500 4.507 -0.244
33 HG21 ILE 5 1HG2 ILE 5 -4.068 7.883 0.143
34 HG22 ILE 5 2HG2 ILE 5 -3.144 7.629 1.622
35 HG23 ILE 5 3HG2 ILE 5 -2.532 8.716 0.377
36 HD11 ILE 5 1HD1 ILE 5 -4.220 5.283 1.986
37 HD12 ILE 5 2HD1 ILE 5 -3.035 3.982 1.857
38 HD13 ILE 5 3HD1 ILE 5 -2.507 5.623 2.232
39 H AIB 6 HN AIB 6 0.280 7.228 -1.794
40 HB11 AIB 6 1HB1 AIB 6 2.476 9.574 -3.290
41 HB12 AIB 6 2HB1 AIB 6 2.683 9.255 -1.516
42 HB13 AIB 6 3HB1 AIB 6 2.150 7.919 -2.623
43 HB21 AIB 6 1HB2 AIB 6 1.002 11.297 -1.205
44 HB22 AIB 6 2HB2 AIB 6 -0.531 10.474 -0.690
45 HB23 AIB 6 3HB2 AIB 6 1.073 9.856 -0.106
46 HA PRO 7 HA PRO 7 0.066 11.085 -5.985
47 HB2 PRO 7 2HB PRO 7 -0.848 9.164 -7.670
48 HB3 PRO 7 3HB PRO 7 0.871 9.417 -7.343
49 HG2 PRO 7 2HG PRO 7 -1.000 7.389 -6.182
50 HG3 PRO 7 3HG PRO 7 0.669 7.179 -6.743
51 HD2 PRO 7 2HD PRO 7 0.034 7.434 -4.123
52 HD3 PRO 7 3HD PRO 7 1.563 8.033 -4.798
53 H LEU 8 HN LEU 8 -2.234 8.600 -4.909
54 HA LEU 8 HA LEU 8 -4.512 9.739 -6.130
55 HB2 LEU 8 2HB LEU 8 -4.152 7.841 -3.829
56 HB3 LEU 8 3HB LEU 8 -5.745 8.363 -4.373
57 HG LEU 8 HG LEU 8 -3.723 6.810 -5.987
58 HD11 LEU 8 1HD1 LEU 8 -6.408 6.003 -4.879
59 HD12 LEU 8 2HD1 LEU 8 -4.843 5.509 -4.234
60 HD13 LEU 8 3HD1 LEU 8 -5.330 5.000 -5.851
61 HD21 LEU 8 1HD2 LEU 8 -4.762 7.763 -7.729
62 HD22 LEU 8 2HD2 LEU 8 -6.104 8.340 -6.740
63 HD23 LEU 8 3HD2 LEU 8 -6.092 6.676 -7.327
64 H LEU 9 HN LEU 9 -2.680 10.714 -3.455
65 HA LEU 9 HA LEU 9 -4.730 11.905 -1.884
66 HB2 LEU 9 2HB LEU 9 -2.543 11.338 -0.967
67 HB3 LEU 9 3HB LEU 9 -1.781 12.516 -2.034
68 HG LEU 9 HG LEU 9 -3.817 13.756 -0.400
69 HD11 LEU 9 1HD1 LEU 9 -3.479 12.292 1.349
70 HD12 LEU 9 2HD1 LEU 9 -2.287 13.546 1.688
71 HD13 LEU 9 3HD1 LEU 9 -1.783 12.030 0.943
72 HD21 LEU 9 1HD2 LEU 9 -0.873 14.259 -0.243
73 HD22 LEU 9 2HD2 LEU 9 -2.212 15.403 -0.146
74 HD23 LEU 9 3HD2 LEU 9 -1.773 14.688 -1.698
75 H AIB 10 HN AIB 10 -2.560 12.992 -4.478
76 HB11 AIB 10 1HB1 AIB 10 -3.112 15.204 -7.165
77 HB12 AIB 10 2HB1 AIB 10 -1.624 15.524 -6.178
78 HB13 AIB 10 3HB1 AIB 10 -2.203 13.821 -6.422
79 HB21 AIB 10 1HB2 AIB 10 -2.874 17.090 -4.812
80 HB22 AIB 10 2HB2 AIB 10 -3.586 16.329 -3.327
81 HB23 AIB 10 3HB2 AIB 10 -1.873 15.964 -3.802
82 HA PRO 11 HA PRO 11 -7.009 15.409 -7.099
83 HB2 PRO 11 2HB PRO 11 -8.080 12.946 -7.496
84 HB3 PRO 11 3HB PRO 11 -6.885 13.661 -8.585
85 HG2 PRO 11 2HG PRO 11 -6.493 11.657 -6.396
86 HG3 PRO 11 3HG PRO 11 -5.792 11.686 -8.025
87 HD2 PRO 11 2HD PRO 11 -4.421 12.494 -5.834
88 HD3 PRO 11 3HD PRO 11 -4.172 13.216 -7.437
89 HN1 DCL 12 HN DCL 12 -6.668 12.846 -4.649
90 HA DCL 12 HA DCL 12 -9.334 13.762 -3.384
91 HC1 DCL 12 2HB1 DCL 12 -6.859 12.873 -1.760
92 HC2 DCL 12 3HB1 DCL 12 -7.152 14.609 -2.199
93 HB1 DCL 12 2HB DCL 12 -8.281 11.144 -4.038
94 HB2 DCL 12 3HB DCL 12 -8.318 11.288 -2.229
95 HG DCL 12 HG DCL 12 -10.436 10.353 -3.051
96 HD11 DCL 12 1HD1 DCL 12 -11.369 12.876 -4.374
97 HD12 DCL 12 2HD1 DCL 12 -9.997 12.072 -5.250
98 HD13 DCL 12 3HD1 DCL 12 -11.529 11.154 -4.922
99 HD21 DCL 12 1HD2 DCL 12 -10.299 12.190 -1.155
100 HD22 DCL 12 2HD2 DCL 12 -11.131 13.247 -2.373
101 HD23 DCL 12 3HD2 DCL 12 -11.915 11.705 -1.822
102 HXT DCL 12 4H1 DCL 12 -8.649 14.629 -0.483
Start of MODEL 18
1 H1 ACE 1 1H1 ACE 1 2.914 1.725 3.211
2 H2 ACE 1 2H1 ACE 1 1.848 2.000 4.610
3 H3 ACE 1 3H1 ACE 1 1.957 0.381 3.880
4 H AIB 2 HN AIB 2 2.208 2.863 1.624
5 HB11 AIB 2 1HB1 AIB 2 -1.746 3.167 1.618
6 HB12 AIB 2 2HB1 AIB 2 -0.485 4.286 2.289
7 HB13 AIB 2 3HB1 AIB 2 -1.240 4.631 0.675
8 HB21 AIB 2 1HB2 AIB 2 -0.788 2.045 -1.001
9 HB22 AIB 2 2HB2 AIB 2 0.329 0.971 -0.059
10 HB23 AIB 2 3HB2 AIB 2 -1.286 1.428 0.630
11 H ASN 3 HN ASN 3 1.495 2.305 -1.476
12 HA ASN 3 HA ASN 3 2.631 4.906 -1.969
13 HB2 ASN 3 2HB ASN 3 2.855 2.201 -3.217
14 HB3 ASN 3 3HB ASN 3 3.335 3.604 -4.167
15 HD21 ASN 3 1HD2 ASN 3 3.854 1.987 -1.076
16 HD22 ASN 3 2HD2 ASN 3 5.493 2.497 -0.882
17 H ILE 4 HN ILE 4 -0.203 3.225 -2.889
18 HA ILE 4 HA ILE 4 -0.636 4.667 -5.348
19 HB ILE 4 HB ILE 4 -2.644 3.058 -3.771
20 HG12 ILE 4 2HG1 ILE 4 -1.915 1.440 -5.818
21 HG13 ILE 4 3HG1 ILE 4 -0.383 2.247 -5.500
22 HG21 ILE 4 1HG2 ILE 4 -2.988 2.970 -6.601
23 HG22 ILE 4 2HG2 ILE 4 -4.085 3.593 -5.369
24 HG23 ILE 4 3HG2 ILE 4 -2.873 4.653 -6.087
25 HD11 ILE 4 1HD1 ILE 4 -0.035 1.038 -3.676
26 HD12 ILE 4 2HD1 ILE 4 -1.659 1.354 -3.063
27 HD13 ILE 4 3HD1 ILE 4 -1.385 0.032 -4.199
28 H ILE 5 HN ILE 5 -1.428 5.056 -1.990
29 HA ILE 5 HA ILE 5 -3.557 6.919 -2.348
30 HB ILE 5 HB ILE 5 -1.789 6.442 0.053
31 HG12 ILE 5 2HG1 ILE 5 -3.085 4.467 -0.611
32 HG13 ILE 5 3HG1 ILE 5 -3.690 5.136 0.901
33 HG21 ILE 5 1HG2 ILE 5 -2.687 8.333 0.824
34 HG22 ILE 5 2HG2 ILE 5 -3.868 8.403 -0.483
35 HG23 ILE 5 3HG2 ILE 5 -4.196 7.430 0.950
36 HD11 ILE 5 1HD1 ILE 5 -5.714 5.238 0.030
37 HD12 ILE 5 2HD1 ILE 5 -5.129 6.344 -1.213
38 HD13 ILE 5 3HD1 ILE 5 -5.099 4.603 -1.496
39 H AIB 6 HN AIB 6 -0.046 7.080 -1.997
40 HB11 AIB 6 1HB1 AIB 6 2.226 9.228 -3.480
41 HB12 AIB 6 2HB1 AIB 6 2.486 9.143 -1.686
42 HB13 AIB 6 3HB1 AIB 6 1.892 7.684 -2.589
43 HB21 AIB 6 1HB2 AIB 6 1.130 10.899 -1.100
44 HB22 AIB 6 2HB2 AIB 6 -0.655 10.602 -0.983
45 HB23 AIB 6 3HB2 AIB 6 0.507 9.489 -0.143
46 HA PRO 7 HA PRO 7 0.009 11.118 -6.035
47 HB2 PRO 7 2HB PRO 7 -0.935 9.309 -7.827
48 HB3 PRO 7 3HB PRO 7 0.784 9.481 -7.449
49 HG2 PRO 7 2HG PRO 7 -1.190 7.477 -6.424
50 HG3 PRO 7 3HG PRO 7 0.483 7.228 -6.955
51 HD2 PRO 7 2HD PRO 7 -0.206 7.392 -4.342
52 HD3 PRO 7 3HD PRO 7 1.361 7.960 -4.953
53 H LEU 8 HN LEU 8 -2.408 8.684 -5.112
54 HA LEU 8 HA LEU 8 -4.613 9.945 -6.340
55 HB2 LEU 8 2HB LEU 8 -4.431 8.013 -4.039
56 HB3 LEU 8 3HB LEU 8 -5.958 8.552 -4.734
57 HG LEU 8 HG LEU 8 -3.825 7.099 -6.293
58 HD11 LEU 8 1HD1 LEU 8 -5.244 5.121 -6.078
59 HD12 LEU 8 2HD1 LEU 8 -6.316 6.006 -4.993
60 HD13 LEU 8 3HD1 LEU 8 -4.655 5.667 -4.507
61 HD21 LEU 8 1HD2 LEU 8 -6.165 6.650 -7.553
62 HD22 LEU 8 2HD2 LEU 8 -5.070 7.973 -7.956
63 HD23 LEU 8 3HD2 LEU 8 -6.460 8.265 -6.909
64 H LEU 9 HN LEU 9 -2.809 10.765 -3.592
65 HA LEU 9 HA LEU 9 -4.850 11.992 -2.037
66 HB2 LEU 9 2HB LEU 9 -2.717 11.311 -1.077
67 HB3 LEU 9 3HB LEU 9 -1.875 12.477 -2.096
68 HG LEU 9 HG LEU 9 -3.355 14.225 -0.856
69 HD11 LEU 9 1HD1 LEU 9 -4.229 13.670 1.202
70 HD12 LEU 9 2HD1 LEU 9 -3.229 12.227 1.358
71 HD13 LEU 9 3HD1 LEU 9 -4.603 12.231 0.254
72 HD21 LEU 9 1HD2 LEU 9 -0.786 13.503 -0.658
73 HD22 LEU 9 2HD2 LEU 9 -1.322 13.101 0.974
74 HD23 LEU 9 3HD2 LEU 9 -1.517 14.744 0.360
75 H AIB 10 HN AIB 10 -2.576 13.064 -4.546
76 HB11 AIB 10 1HB1 AIB 10 -2.964 15.408 -7.169
77 HB12 AIB 10 2HB1 AIB 10 -1.481 15.572 -6.136
78 HB13 AIB 10 3HB1 AIB 10 -2.173 13.929 -6.477
79 HB21 AIB 10 1HB2 AIB 10 -3.512 16.443 -3.347
80 HB22 AIB 10 2HB2 AIB 10 -1.804 15.958 -3.720
81 HB23 AIB 10 3HB2 AIB 10 -2.657 17.165 -4.775
82 HA PRO 11 HA PRO 11 -6.862 15.749 -7.181
83 HB2 PRO 11 2HB PRO 11 -8.028 13.348 -7.675
84 HB3 PRO 11 3HB PRO 11 -6.781 14.043 -8.718
85 HG2 PRO 11 2HG PRO 11 -6.521 11.959 -6.585
86 HG3 PRO 11 3HG PRO 11 -5.786 12.007 -8.198
87 HD2 PRO 11 2HD PRO 11 -4.428 12.688 -5.956
88 HD3 PRO 11 3HD PRO 11 -4.115 13.447 -7.530
89 HN1 DCL 12 HN DCL 12 -6.346 13.683 -4.454
90 HA DCL 12 HA DCL 12 -9.260 13.983 -3.517
91 HC1 DCL 12 2HB1 DCL 12 -7.353 14.429 -1.295
92 HC2 DCL 12 3HB1 DCL 12 -7.114 15.659 -2.608
93 HB1 DCL 12 2HB DCL 12 -7.875 11.731 -3.491
94 HB2 DCL 12 3HB DCL 12 -7.055 12.451 -2.041
95 HG DCL 12 HG DCL 12 -9.520 12.898 -1.200
96 HD11 DCL 12 1HD1 DCL 12 -9.440 10.768 -0.015
97 HD12 DCL 12 2HD1 DCL 12 -8.558 9.966 -1.383
98 HD13 DCL 12 3HD1 DCL 12 -7.714 11.210 -0.364
99 HD21 DCL 12 1HD2 DCL 12 -9.986 11.359 -3.665
100 HD22 DCL 12 2HD2 DCL 12 -10.631 10.484 -2.211
101 HD23 DCL 12 3HD2 DCL 12 -11.170 12.182 -2.564
102 HXT DCL 12 4H1 DCL 12 -9.056 16.591 -1.874
Start of MODEL 19
1 H1 ACE 1 1H1 ACE 1 -1.874 -0.364 0.981
2 H2 ACE 1 2H1 ACE 1 -0.522 -0.232 -0.170
3 H3 ACE 1 3H1 ACE 1 -0.301 -1.105 1.366
4 H AIB 2 HN AIB 2 0.292 1.649 -0.316
5 HB11 AIB 2 1HB1 AIB 2 1.300 2.664 3.193
6 HB12 AIB 2 2HB1 AIB 2 2.493 2.235 1.895
7 HB13 AIB 2 3HB1 AIB 2 2.323 3.959 2.439
8 HB21 AIB 2 1HB2 AIB 2 -0.122 4.501 2.747
9 HB22 AIB 2 2HB2 AIB 2 -0.797 4.803 1.091
10 HB23 AIB 2 3HB2 AIB 2 -1.298 3.327 2.021
11 H ASN 3 HN ASN 3 1.888 2.430 -0.991
12 HA ASN 3 HA ASN 3 2.956 5.012 -1.689
13 HB2 ASN 3 2HB ASN 3 3.945 2.607 -2.115
14 HB3 ASN 3 3HB ASN 3 2.972 2.692 -3.580
15 HD21 ASN 3 1HD2 ASN 3 3.452 4.265 -5.137
16 HD22 ASN 3 2HD2 ASN 3 4.995 5.040 -5.189
17 H ILE 4 HN ILE 4 0.097 3.256 -2.350
18 HA ILE 4 HA ILE 4 -0.495 4.547 -4.857
19 HB ILE 4 HB ILE 4 -2.287 2.935 -3.036
20 HG12 ILE 4 2HG1 ILE 4 -0.851 2.132 -5.576
21 HG13 ILE 4 3HG1 ILE 4 -0.345 1.688 -3.949
22 HG21 ILE 4 1HG2 ILE 4 -3.231 2.796 -5.647
23 HG22 ILE 4 2HG2 ILE 4 -3.950 3.687 -4.307
24 HG23 ILE 4 3HG2 ILE 4 -2.831 4.496 -5.403
25 HD11 ILE 4 1HD1 ILE 4 -2.318 0.475 -5.663
26 HD12 ILE 4 2HD1 ILE 4 -1.570 -0.139 -4.188
27 HD13 ILE 4 3HD1 ILE 4 -2.997 0.893 -4.091
28 H ILE 5 HN ILE 5 -1.123 5.116 -1.483
29 HA ILE 5 HA ILE 5 -3.265 6.964 -1.845
30 HB ILE 5 HB ILE 5 -1.398 6.606 0.501
31 HG12 ILE 5 2HG1 ILE 5 -2.700 4.597 0.018
32 HG13 ILE 5 3HG1 ILE 5 -3.284 5.361 1.492
33 HG21 ILE 5 1HG2 ILE 5 -3.854 8.275 0.109
34 HG22 ILE 5 2HG2 ILE 5 -3.391 7.698 1.709
35 HG23 ILE 5 3HG2 ILE 5 -2.295 8.734 0.794
36 HD11 ILE 5 1HD1 ILE 5 -5.182 4.675 0.272
37 HD12 ILE 5 2HD1 ILE 5 -5.077 6.427 0.092
38 HD13 ILE 5 3HD1 ILE 5 -4.561 5.373 -1.223
39 H AIB 6 HN AIB 6 0.255 7.126 -1.682
40 HB11 AIB 6 1HB1 AIB 6 2.166 7.694 -2.373
41 HB12 AIB 6 2HB1 AIB 6 2.434 9.169 -3.396
42 HB13 AIB 6 3HB1 AIB 6 2.813 9.213 -1.621
43 HB21 AIB 6 1HB2 AIB 6 -0.304 10.637 -0.745
44 HB22 AIB 6 2HB2 AIB 6 0.987 9.621 0.023
45 HB23 AIB 6 3HB2 AIB 6 1.444 11.014 -1.047
46 HA PRO 7 HA PRO 7 0.094 10.992 -5.884
47 HB2 PRO 7 2HB PRO 7 -0.954 9.116 -7.543
48 HB3 PRO 7 3HB PRO 7 0.784 9.294 -7.270
49 HG2 PRO 7 2HG PRO 7 -1.135 7.345 -6.052
50 HG3 PRO 7 3HG PRO 7 0.505 7.066 -6.666
51 HD2 PRO 7 2HD PRO 7 -0.035 7.341 -4.027
52 HD3 PRO 7 3HD PRO 7 1.496 7.875 -4.749
53 H LEU 8 HN LEU 8 -2.274 8.607 -4.735
54 HA LEU 8 HA LEU 8 -4.541 9.832 -5.885
55 HB2 LEU 8 2HB LEU 8 -4.230 7.984 -3.531
56 HB3 LEU 8 3HB LEU 8 -5.796 8.511 -4.145
57 HG LEU 8 HG LEU 8 -3.762 6.938 -5.725
58 HD11 LEU 8 1HD1 LEU 8 -4.668 5.620 -3.886
59 HD12 LEU 8 2HD1 LEU 8 -5.286 5.052 -5.437
60 HD13 LEU 8 3HD1 LEU 8 -6.309 6.032 -4.387
61 HD21 LEU 8 1HD2 LEU 8 -5.119 8.247 -7.188
62 HD22 LEU 8 2HD2 LEU 8 -6.586 7.813 -6.310
63 HD23 LEU 8 3HD2 LEU 8 -5.720 6.590 -7.240
64 H LEU 9 HN LEU 9 -2.583 10.752 -3.280
65 HA LEU 9 HA LEU 9 -4.529 12.045 -1.658
66 HB2 LEU 9 2HB LEU 9 -2.335 11.391 -0.810
67 HB3 LEU 9 3HB LEU 9 -1.564 12.535 -1.907
68 HG LEU 9 HG LEU 9 -1.829 13.165 0.580
69 HD11 LEU 9 1HD1 LEU 9 -2.879 15.480 -0.679
70 HD12 LEU 9 2HD1 LEU 9 -1.823 14.660 -1.828
71 HD13 LEU 9 3HD1 LEU 9 -1.208 15.125 -0.242
72 HD21 LEU 9 1HD2 LEU 9 -3.862 13.922 1.356
73 HD22 LEU 9 2HD2 LEU 9 -4.348 12.527 0.393
74 HD23 LEU 9 3HD2 LEU 9 -4.516 14.155 -0.265
75 H AIB 10 HN AIB 10 -2.402 13.012 -4.334
76 HB11 AIB 10 1HB1 AIB 10 -2.911 15.308 -7.011
77 HB12 AIB 10 2HB1 AIB 10 -1.371 15.405 -6.057
78 HB13 AIB 10 3HB1 AIB 10 -2.159 13.796 -6.349
79 HB21 AIB 10 1HB2 AIB 10 -3.300 16.482 -3.258
80 HB22 AIB 10 2HB2 AIB 10 -1.614 15.912 -3.612
81 HB23 AIB 10 3HB2 AIB 10 -2.432 17.081 -4.733
82 HA PRO 11 HA PRO 11 -6.829 15.602 -6.826
83 HB2 PRO 11 2HB PRO 11 -8.021 13.186 -7.159
84 HB3 PRO 11 3HB PRO 11 -6.835 13.837 -8.297
85 HG2 PRO 11 2HG PRO 11 -6.455 11.837 -6.102
86 HG3 PRO 11 3HG PRO 11 -5.812 11.820 -7.754
87 HD2 PRO 11 2HD PRO 11 -4.330 12.585 -5.621
88 HD3 PRO 11 3HD PRO 11 -4.106 13.281 -7.239
89 HN1 DCL 12 HN DCL 12 -6.602 12.958 -4.434
90 HA DCL 12 HA DCL 12 -9.016 14.195 -2.949
91 HC1 DCL 12 2HB1 DCL 12 -7.845 13.079 -0.870
92 HC2 DCL 12 3HB1 DCL 12 -6.377 12.957 -1.930
93 HB1 DCL 12 2HB DCL 12 -8.211 11.295 -3.496
94 HB2 DCL 12 3HB DCL 12 -9.148 11.713 -1.999
95 HG DCL 12 HG DCL 12 -10.425 13.097 -4.152
96 HD11 DCL 12 1HD1 DCL 12 -11.214 11.805 -1.947
97 HD12 DCL 12 2HD1 DCL 12 -12.321 11.862 -3.385
98 HD13 DCL 12 3HD1 DCL 12 -11.335 10.373 -3.056
99 HD21 DCL 12 1HD2 DCL 12 -10.883 11.489 -5.842
100 HD22 DCL 12 2HD2 DCL 12 -9.089 11.381 -5.590
101 HD23 DCL 12 3HD2 DCL 12 -10.186 10.128 -4.866
102 HXT DCL 12 4H1 DCL 12 -6.069 15.170 -1.495
Start of MODEL 20
1 H1 ACE 1 1H1 ACE 1 1.851 2.392 4.396
2 H2 ACE 1 2H1 ACE 1 1.242 0.724 4.518
3 H3 ACE 1 3H1 ACE 1 2.468 1.137 3.294
4 H AIB 2 HN AIB 2 1.917 2.886 1.777
5 HB11 AIB 2 1HB1 AIB 2 -2.027 3.160 1.610
6 HB12 AIB 2 2HB1 AIB 2 -0.807 4.316 2.295
7 HB13 AIB 2 3HB1 AIB 2 -1.512 4.609 0.648
8 HB21 AIB 2 1HB2 AIB 2 0.119 0.956 0.058
9 HB22 AIB 2 2HB2 AIB 2 -1.536 1.436 0.623
10 HB23 AIB 2 3HB2 AIB 2 -0.921 2.017 -0.983
11 H ASN 3 HN ASN 3 1.349 2.296 -1.345
12 HA ASN 3 HA ASN 3 2.492 4.898 -1.811
13 HB2 ASN 3 2HB ASN 3 3.276 2.315 -2.384
14 HB3 ASN 3 3HB ASN 3 2.795 2.934 -3.961
15 HD21 ASN 3 1HD2 ASN 3 5.389 2.428 -2.221
16 HD22 ASN 3 2HD2 ASN 3 6.374 3.775 -2.667
17 H ILE 4 HN ILE 4 -0.294 3.200 -2.837
18 HA ILE 4 HA ILE 4 -0.624 4.621 -5.324
19 HB ILE 4 HB ILE 4 -2.689 3.009 -3.825
20 HG12 ILE 4 2HG1 ILE 4 -1.880 1.371 -5.811
21 HG13 ILE 4 3HG1 ILE 4 -0.365 2.205 -5.482
22 HG21 ILE 4 1HG2 ILE 4 -2.898 2.920 -6.676
23 HG22 ILE 4 2HG2 ILE 4 -4.067 3.504 -5.492
24 HG23 ILE 4 3HG2 ILE 4 -2.847 4.600 -6.141
25 HD11 ILE 4 1HD1 ILE 4 -1.489 0.035 -4.102
26 HD12 ILE 4 2HD1 ILE 4 -0.018 0.928 -3.716
27 HD13 ILE 4 3HD1 ILE 4 -1.559 1.421 -3.014
28 H ILE 5 HN ILE 5 -1.610 4.998 -2.008
29 HA ILE 5 HA ILE 5 -3.706 6.871 -2.490
30 HB ILE 5 HB ILE 5 -2.097 6.408 0.024
31 HG12 ILE 5 2HG1 ILE 5 -4.773 5.303 -0.859
32 HG13 ILE 5 3HG1 ILE 5 -3.272 4.393 -0.722
33 HG21 ILE 5 1HG2 ILE 5 -3.959 8.437 -0.628
34 HG22 ILE 5 2HG2 ILE 5 -4.736 7.345 0.517
35 HG23 ILE 5 3HG2 ILE 5 -3.200 8.106 0.929
36 HD11 ILE 5 1HD1 ILE 5 -3.483 5.407 1.774
37 HD12 ILE 5 2HD1 ILE 5 -5.181 5.210 1.342
38 HD13 ILE 5 3HD1 ILE 5 -4.089 3.827 1.280
39 H AIB 6 HN AIB 6 -0.224 7.015 -1.929
40 HB11 AIB 6 1HB1 AIB 6 1.751 7.615 -2.356
41 HB12 AIB 6 2HB1 AIB 6 2.115 9.125 -3.293
42 HB13 AIB 6 3HB1 AIB 6 2.309 9.107 -1.489
43 HB21 AIB 6 1HB2 AIB 6 -0.883 10.495 -0.884
44 HB22 AIB 6 2HB2 AIB 6 0.278 9.402 -0.020
45 HB23 AIB 6 3HB2 AIB 6 0.896 10.838 -0.941
46 HA PRO 7 HA PRO 7 0.062 11.111 -5.904
47 HB2 PRO 7 2HB PRO 7 -0.791 9.333 -7.770
48 HB3 PRO 7 3HB PRO 7 0.905 9.492 -7.299
49 HG2 PRO 7 2HG PRO 7 -1.127 7.482 -6.410
50 HG3 PRO 7 3HG PRO 7 0.571 7.234 -6.856
51 HD2 PRO 7 2HD PRO 7 -0.256 7.361 -4.281
52 HD3 PRO 7 3HD PRO 7 1.344 7.932 -4.799
53 H LEU 8 HN LEU 8 -2.408 8.674 -5.147
54 HA LEU 8 HA LEU 8 -4.542 9.958 -6.473
55 HB2 LEU 8 2HB LEU 8 -4.503 8.010 -4.177
56 HB3 LEU 8 3HB LEU 8 -5.978 8.548 -4.977
57 HG LEU 8 HG LEU 8 -3.740 7.124 -6.407
58 HD11 LEU 8 1HD1 LEU 8 -5.133 5.116 -6.263
59 HD12 LEU 8 2HD1 LEU 8 -6.261 5.977 -5.216
60 HD13 LEU 8 3HD1 LEU 8 -4.614 5.667 -4.669
61 HD21 LEU 8 1HD2 LEU 8 -5.955 6.614 -7.811
62 HD22 LEU 8 2HD2 LEU 8 -4.938 8.025 -8.106
63 HD23 LEU 8 3HD2 LEU 8 -6.405 8.181 -7.138
64 H LEU 9 HN LEU 9 -2.884 10.738 -3.622
65 HA LEU 9 HA LEU 9 -5.000 11.956 -2.164
66 HB2 LEU 9 2HB LEU 9 -2.927 11.254 -1.098
67 HB3 LEU 9 3HB LEU 9 -2.024 12.425 -2.057
68 HG LEU 9 HG LEU 9 -3.813 14.041 -0.799
69 HD11 LEU 9 1HD1 LEU 9 -2.967 12.355 1.471
70 HD12 LEU 9 2HD1 LEU 9 -4.306 11.749 0.498
71 HD13 LEU 9 3HD1 LEU 9 -4.417 13.336 1.259
72 HD21 LEU 9 1HD2 LEU 9 -1.794 14.930 -0.499
73 HD22 LEU 9 2HD2 LEU 9 -1.005 13.354 -0.572
74 HD23 LEU 9 3HD2 LEU 9 -1.674 13.936 0.953
75 H AIB 10 HN AIB 10 -2.591 13.045 -4.536
76 HB11 AIB 10 1HB1 AIB 10 -2.863 15.331 -7.166
77 HB12 AIB 10 2HB1 AIB 10 -1.445 15.643 -6.078
78 HB13 AIB 10 3HB1 AIB 10 -2.006 13.942 -6.374
79 HB21 AIB 10 1HB2 AIB 10 -3.568 16.413 -3.345
80 HB22 AIB 10 2HB2 AIB 10 -1.845 15.927 -3.641
81 HB23 AIB 10 3HB2 AIB 10 -2.642 17.150 -4.719
82 HA PRO 11 HA PRO 11 -6.719 15.787 -7.359
83 HB2 PRO 11 2HB PRO 11 -7.871 13.399 -7.943
84 HB3 PRO 11 3HB PRO 11 -6.567 14.099 -8.910
85 HG2 PRO 11 2HG PRO 11 -6.431 11.988 -6.792
86 HG3 PRO 11 3HG PRO 11 -5.612 12.051 -8.364
87 HD2 PRO 11 2HD PRO 11 -4.369 12.696 -6.046
88 HD3 PRO 11 3HD PRO 11 -3.970 13.472 -7.592
89 HN1 DCL 12 HN DCL 12 -6.456 13.453 -4.756
90 HA DCL 12 HA DCL 12 -9.374 13.624 -3.970
91 HC1 DCL 12 2HB1 DCL 12 -8.934 14.779 -1.788
92 HC2 DCL 12 3HB1 DCL 12 -7.185 14.975 -2.232
93 HB1 DCL 12 2HB DCL 12 -7.941 11.568 -3.589
94 HB2 DCL 12 3HB DCL 12 -6.960 12.521 -2.397
95 HG DCL 12 HG DCL 12 -9.749 12.861 -1.723
96 HD11 DCL 12 1HD1 DCL 12 -8.980 11.997 0.418
97 HD12 DCL 12 2HD1 DCL 12 -7.668 11.021 -0.369
98 HD13 DCL 12 3HD1 DCL 12 -7.545 12.832 -0.313
99 HD21 DCL 12 1HD2 DCL 12 -9.972 10.677 -3.091
100 HD22 DCL 12 2HD2 DCL 12 -8.970 9.894 -1.797
101 HD23 DCL 12 3HD2 DCL 12 -10.571 10.640 -1.379
102 HXT DCL 12 4H1 DCL 12 -7.843 16.827 -3.379