Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628047 | 6gil RC | 34274 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 HT1 LEU 1 29.492 8.300 -0.344
2 H2 LEU 1 HT2 LEU 1 30.169 9.848 -0.165
3 H3 LEU 1 HT3 LEU 1 30.956 8.675 -1.110
4 HA LEU 1 HA LEU 1 28.941 10.521 -1.820
5 HB2 LEU 1 HB2 LEU 1 30.835 8.600 -3.212
6 HB3 LEU 1 HB1 LEU 1 29.630 9.526 -4.136
7 HG LEU 1 HG LEU 1 30.545 11.637 -3.299
8 HD11 LEU 1 HD11 LEU 1 32.303 9.796 -1.631
9 HD12 LEU 1 HD12 LEU 1 31.253 11.122 -1.076
10 HD13 LEU 1 HD13 LEU 1 32.751 11.486 -1.960
11 HD21 LEU 1 HD21 LEU 1 32.671 11.592 -4.459
12 HD22 LEU 1 HD22 LEU 1 31.593 10.441 -5.286
13 HD23 LEU 1 HD23 LEU 1 32.849 9.844 -4.175
14 H LEU 2 HN LEU 2 29.052 7.066 -1.315
15 HA LEU 2 HA LEU 2 26.247 6.760 -1.435
16 HB2 LEU 2 HB2 LEU 2 27.484 6.809 -4.071
17 HB3 LEU 2 HB1 LEU 2 26.862 5.173 -3.782
18 HG LEU 2 HG LEU 2 25.164 7.663 -3.296
19 HD11 LEU 2 HD11 LEU 2 24.137 7.113 -5.539
20 HD12 LEU 2 HD12 LEU 2 25.490 5.992 -5.824
21 HD13 LEU 2 HD13 LEU 2 25.802 7.735 -5.639
22 HD21 LEU 2 HD21 LEU 2 24.551 5.386 -2.286
23 HD22 LEU 2 HD22 LEU 2 24.367 4.792 -3.952
24 HD23 LEU 2 HD23 LEU 2 23.322 6.102 -3.353
25 HA PRO 3 HA PRO 3 28.316 2.512 -1.062
26 HB2 PRO 3 HB2 PRO 3 30.876 2.041 -1.788
27 HB3 PRO 3 HB1 PRO 3 29.574 2.178 -3.014
28 HG2 PRO 3 HG2 PRO 3 31.641 4.202 -2.195
29 HG3 PRO 3 HG1 PRO 3 31.012 3.812 -3.825
30 HD2 PRO 3 HD2 PRO 3 30.131 5.965 -2.231
31 HD3 PRO 3 HD1 PRO 3 29.215 5.260 -3.600
32 H ILE 4 HN ILE 4 31.042 4.820 -0.584
33 HA ILE 4 HA ILE 4 31.698 3.608 2.024
34 HB ILE 4 HB ILE 4 33.412 5.447 2.129
35 HG12 ILE 4 HG12 ILE 4 32.295 6.146 -0.630
36 HG13 ILE 4 HG11 ILE 4 32.102 7.137 0.834
37 HG21 ILE 4 HG21 ILE 4 33.750 3.189 0.951
38 HG22 ILE 4 HG22 ILE 4 34.839 4.500 0.446
39 HG23 ILE 4 HG23 ILE 4 33.453 4.050 -0.577
40 HD11 ILE 4 HD1 ILE 4 34.635 6.536 -0.726
41 HD12 ILE 4 HD2 ILE 4 34.709 7.076 0.969
42 HD13 ILE 4 HD3 ILE 4 33.959 8.114 -0.266
43 H VAL 5 HN VAL 5 29.057 5.077 1.366
44 HA VAL 5 HA VAL 5 27.608 6.485 2.501
45 HB VAL 5 HB VAL 5 29.527 6.174 4.851
46 HG11 VAL 5 HG11 VAL 5 27.857 7.908 5.212
47 HG12 VAL 5 HG12 VAL 5 27.373 6.468 6.140
48 HG13 VAL 5 HG13 VAL 5 26.563 6.849 4.601
49 HG21 VAL 5 HG21 VAL 5 27.165 4.437 3.996
50 HG22 VAL 5 HG22 VAL 5 28.129 4.233 5.479
51 HG23 VAL 5 HG23 VAL 5 28.880 3.972 3.887
52 H GLY 6 HN GLY 6 27.809 8.396 1.412
53 HA2 GLY 6 HA1 GLY 6 30.078 10.163 1.814
54 HA3 GLY 6 HA2 GLY 6 28.578 10.538 0.943
55 H ASN 7 HN ASN 7 26.598 10.816 2.387
56 HA ASN 7 HA ASN 7 27.247 11.920 5.081
57 HB2 ASN 7 HB2 ASN 7 26.047 13.577 2.822
58 HB3 ASN 7 HB1 ASN 7 26.055 14.058 4.536
59 HD21 ASN 7 HD21 ASN 7 27.813 15.303 5.167
60 HD22 ASN 7 HD22 ASN 7 29.372 15.320 4.336
61 H LEU 8 HN LEU 8 25.170 10.640 2.665
62 HA LEU 8 HA LEU 8 23.270 9.670 4.589
63 HB2 LEU 8 HB2 LEU 8 22.638 12.162 4.417
64 HB3 LEU 8 HB1 LEU 8 22.168 11.818 2.739
65 HG LEU 8 HG LEU 8 20.752 9.843 3.828
66 HD11 LEU 8 HD11 LEU 8 19.856 10.533 6.079
67 HD12 LEU 8 HD12 LEU 8 21.132 11.767 6.170
68 HD13 LEU 8 HD13 LEU 8 21.562 10.041 6.125
69 HD21 LEU 8 HD21 LEU 8 19.957 12.777 4.101
70 HD22 LEU 8 HD22 LEU 8 18.830 11.400 4.107
71 HD23 LEU 8 HD23 LEU 8 19.772 11.773 2.643
72 H LEU 9 HN LEU 9 24.804 8.402 2.777
73 HA LEU 9 HA LEU 9 24.689 6.884 1.032
74 HB2 LEU 9 HB2 LEU 9 21.672 7.246 1.040
75 HB3 LEU 9 HB1 LEU 9 22.614 5.809 0.580
76 HG LEU 9 HG LEU 9 22.302 6.978 3.381
77 HD11 LEU 9 HD11 LEU 9 21.564 4.237 2.276
78 HD12 LEU 9 HD12 LEU 9 20.418 5.594 2.389
79 HD13 LEU 9 HD13 LEU 9 21.140 4.913 3.866
80 HD21 LEU 9 HD21 LEU 9 23.637 4.846 3.995
81 HD22 LEU 9 HD22 LEU 9 24.561 6.186 3.278
82 HD23 LEU 9 HD23 LEU 9 24.108 4.784 2.279
83 H LYS 10 HN LYS 10 24.847 9.812 0.591
84 HA LYS 10 HA LYS 10 24.567 9.731 -2.295
85 HB2 LYS 10 HB2 LYS 10 22.162 10.148 -1.348
86 HB3 LYS 10 HB1 LYS 10 22.755 11.783 -0.980
87 HG2 LYS 10 HG2 LYS 10 23.516 11.914 -3.428
88 HG3 LYS 10 HG1 LYS 10 22.589 10.421 -3.701
89 HD2 LYS 10 HD2 LYS 10 21.456 13.022 -2.576
90 HD3 LYS 10 HD1 LYS 10 21.252 12.449 -4.247
91 HE2 LYS 10 HE2 LYS 10 20.277 10.279 -3.156
92 HE3 LYS 10 HE1 LYS 10 20.117 11.276 -1.689
93 HZ1 LYS 10 HZ1 LYS 10 18.850 12.888 -3.002
94 HZ2 LYS 10 HZ2 LYS 10 18.104 11.362 -2.994
95 HZ3 LYS 10 HZ3 LYS 10 18.962 11.885 -4.365
96 H SER 11 HN SER 11 25.346 11.687 -3.325
97 HA SER 11 HA SER 11 27.659 12.739 -2.123
98 HB2 SER 11 HB2 SER 11 27.453 14.565 -3.862
99 HB3 SER 11 HB1 SER 11 27.334 12.911 -4.502
100 HG SER 11 HG SER 11 25.530 14.917 -4.570
101 H LEU 12 HN LEU 12 24.520 14.446 -2.562
102 HA LEU 12 HA LEU 12 23.516 16.077 -1.269
103 HB2 LEU 12 HB2 LEU 12 24.328 14.430 0.622
104 HB3 LEU 12 HB1 LEU 12 25.556 15.672 0.939
105 HG LEU 12 HG LEU 12 23.472 17.337 0.925
106 HD11 LEU 12 HD11 LEU 12 22.184 14.640 1.562
107 HD12 LEU 12 HD12 LEU 12 21.760 15.730 0.222
108 HD13 LEU 12 HD13 LEU 12 21.441 16.218 1.900
109 HD21 LEU 12 HD21 LEU 12 23.179 16.941 3.371
110 HD22 LEU 12 HD22 LEU 12 24.893 16.911 2.890
111 HD23 LEU 12 HD23 LEU 12 24.030 15.387 3.207
112 H LEU 13 HN LEU 13 26.595 16.161 -2.457
113 HA LEU 13 HA LEU 13 27.503 18.705 -1.373
114 HB2 LEU 13 HB2 LEU 13 28.276 17.333 -3.978
115 HB3 LEU 13 HB1 LEU 13 29.188 18.612 -3.148
116 HG LEU 13 HG LEU 13 28.536 15.942 -1.824
117 HD11 LEU 13 HD11 LEU 13 31.052 16.730 -3.357
118 HD12 LEU 13 HD12 LEU 13 29.844 15.535 -3.889
119 HD13 LEU 13 HD13 LEU 13 30.822 15.226 -2.434
120 HD21 LEU 13 HD21 LEU 13 30.477 18.225 -1.247
121 HD22 LEU 13 HD22 LEU 13 30.636 16.621 -0.497
122 HD23 LEU 13 HD23 LEU 13 29.183 17.597 -0.201
Start of MODEL 2
1 H1 LEU 1 HT1 LEU 1 27.938 7.833 -0.017
2 H2 LEU 1 HT2 LEU 1 26.486 8.597 -0.457
3 H3 LEU 1 HT3 LEU 1 27.977 9.294 -0.876
4 HA LEU 1 HA LEU 1 26.424 7.424 -2.264
5 HB2 LEU 1 HB2 LEU 1 27.396 9.372 -3.318
6 HB3 LEU 1 HB1 LEU 1 29.028 8.913 -2.788
7 HG LEU 1 HG LEU 1 29.048 6.990 -4.272
8 HD11 LEU 1 HD11 LEU 1 26.997 6.695 -5.844
9 HD12 LEU 1 HD12 LEU 1 26.106 7.669 -4.651
10 HD13 LEU 1 HD13 LEU 1 26.834 6.116 -4.172
11 HD21 LEU 1 HD21 LEU 1 28.840 8.116 -6.455
12 HD22 LEU 1 HD22 LEU 1 29.566 9.216 -5.259
13 HD23 LEU 1 HD23 LEU 1 27.855 9.399 -5.713
14 H LEU 2 HN LEU 2 29.875 7.404 -1.231
15 HA LEU 2 HA LEU 2 30.308 4.710 -2.165
16 HB2 LEU 2 HB2 LEU 2 31.880 6.156 -0.002
17 HB3 LEU 2 HB1 LEU 2 32.455 4.874 -1.091
18 HG LEU 2 HG LEU 2 31.536 7.645 -1.991
19 HD11 LEU 2 HD11 LEU 2 33.893 8.140 -2.314
20 HD12 LEU 2 HD12 LEU 2 34.351 6.486 -1.844
21 HD13 LEU 2 HD13 LEU 2 33.666 7.597 -0.634
22 HD21 LEU 2 HD21 LEU 2 31.206 6.121 -3.807
23 HD22 LEU 2 HD22 LEU 2 32.688 5.214 -3.424
24 HD23 LEU 2 HD23 LEU 2 32.796 6.850 -4.116
25 HA PRO 3 HA PRO 3 28.519 2.004 0.883
26 HB2 PRO 3 HB2 PRO 3 31.389 1.124 1.333
27 HB3 PRO 3 HB1 PRO 3 29.904 0.124 1.208
28 HG2 PRO 3 HG2 PRO 3 31.571 0.399 -0.876
29 HG3 PRO 3 HG1 PRO 3 29.796 0.334 -1.103
30 HD2 PRO 3 HD2 PRO 3 31.643 2.675 -1.385
31 HD3 PRO 3 HD1 PRO 3 30.016 2.411 -2.095
32 H ILE 4 HN ILE 4 31.538 3.720 1.712
33 HA ILE 4 HA ILE 4 31.030 3.596 4.593
34 HB ILE 4 HB ILE 4 32.931 5.254 4.710
35 HG12 ILE 4 HG12 ILE 4 32.963 4.863 1.679
36 HG13 ILE 4 HG11 ILE 4 32.443 6.350 2.502
37 HG21 ILE 4 HG21 ILE 4 34.620 3.651 4.113
38 HG22 ILE 4 HG22 ILE 4 33.575 2.905 2.881
39 HG23 ILE 4 HG23 ILE 4 33.200 2.705 4.609
40 HD11 ILE 4 HD1 ILE 4 34.783 6.290 3.654
41 HD12 ILE 4 HD2 ILE 4 34.706 6.775 1.943
42 HD13 ILE 4 HD3 ILE 4 35.217 5.128 2.377
43 H VAL 5 HN VAL 5 28.834 4.651 3.037
44 HA VAL 5 HA VAL 5 27.530 6.590 2.768
45 HB VAL 5 HB VAL 5 26.999 7.566 5.144
46 HG11 VAL 5 HG11 VAL 5 25.819 5.425 5.774
47 HG12 VAL 5 HG12 VAL 5 26.704 4.608 4.463
48 HG13 VAL 5 HG13 VAL 5 25.561 5.918 4.084
49 HG21 VAL 5 HG21 VAL 5 28.699 5.148 5.916
50 HG22 VAL 5 HG22 VAL 5 27.786 6.201 7.019
51 HG23 VAL 5 HG23 VAL 5 29.195 6.841 6.146
52 H GLY 6 HN GLY 6 28.435 8.151 1.547
53 HA2 GLY 6 HA1 GLY 6 30.598 9.830 2.528
54 HA3 GLY 6 HA2 GLY 6 29.653 10.072 1.044
55 H ASN 7 HN ASN 7 27.093 10.205 2.091
56 HA ASN 7 HA ASN 7 27.002 12.221 4.224
57 HB2 ASN 7 HB2 ASN 7 27.649 13.562 2.186
58 HB3 ASN 7 HB1 ASN 7 26.142 13.015 1.411
59 HD21 ASN 7 HD21 ASN 7 27.178 14.446 4.600
60 HD22 ASN 7 HD22 ASN 7 25.799 15.546 4.699
61 H LEU 8 HN LEU 8 26.026 9.596 3.815
62 HA LEU 8 HA LEU 8 24.048 8.515 4.389
63 HB2 LEU 8 HB2 LEU 8 23.334 10.999 5.149
64 HB3 LEU 8 HB1 LEU 8 22.293 10.895 3.716
65 HG LEU 8 HG LEU 8 22.350 8.827 5.968
66 HD11 LEU 8 HD11 LEU 8 20.147 9.822 6.586
67 HD12 LEU 8 HD12 LEU 8 20.406 11.099 5.372
68 HD13 LEU 8 HD13 LEU 8 21.488 10.976 6.780
69 HD21 LEU 8 HD21 LEU 8 20.578 9.253 3.521
70 HD22 LEU 8 HD22 LEU 8 20.147 8.174 4.869
71 HD23 LEU 8 HD23 LEU 8 21.592 7.837 3.887
72 H LEU 9 HN LEU 9 25.191 7.977 2.135
73 HA LEU 9 HA LEU 9 24.825 7.163 -0.003
74 HB2 LEU 9 HB2 LEU 9 21.845 7.556 0.460
75 HB3 LEU 9 HB1 LEU 9 22.650 6.382 -0.604
76 HG LEU 9 HG LEU 9 22.852 6.411 2.443
77 HD11 LEU 9 HD11 LEU 9 21.407 4.433 2.351
78 HD12 LEU 9 HD12 LEU 9 21.352 4.523 0.574
79 HD13 LEU 9 HD13 LEU 9 20.591 5.799 1.555
80 HD21 LEU 9 HD21 LEU 9 23.969 4.602 0.258
81 HD22 LEU 9 HD22 LEU 9 23.781 4.046 1.940
82 HD23 LEU 9 HD23 LEU 9 24.850 5.418 1.572
83 H LYS 10 HN LYS 10 24.699 10.153 0.844
84 HA LYS 10 HA LYS 10 24.689 12.153 -0.313
85 HB2 LYS 10 HB2 LYS 10 25.749 10.593 -2.112
86 HB3 LYS 10 HB1 LYS 10 24.159 10.662 -2.906
87 HG2 LYS 10 HG2 LYS 10 24.287 13.134 -2.970
88 HG3 LYS 10 HG1 LYS 10 25.869 13.076 -2.156
89 HD2 LYS 10 HD2 LYS 10 26.754 11.703 -4.054
90 HD3 LYS 10 HD1 LYS 10 25.188 11.888 -4.880
91 HE2 LYS 10 HE2 LYS 10 27.192 14.061 -4.164
92 HE3 LYS 10 HE1 LYS 10 26.612 13.596 -5.780
93 HZ1 LYS 10 HZ1 LYS 10 24.308 14.189 -4.721
94 HZ2 LYS 10 HZ2 LYS 10 25.309 15.406 -5.356
95 HZ3 LYS 10 HZ3 LYS 10 25.252 15.138 -3.679
96 H SER 11 HN SER 11 22.091 10.022 -0.205
97 HA SER 11 HA SER 11 20.139 11.414 -1.780
98 HB2 SER 11 HB2 SER 11 19.658 9.179 -1.050
99 HB3 SER 11 HB1 SER 11 19.919 9.609 0.654
100 HG SER 11 HG SER 11 18.093 11.238 -0.510
101 H LEU 12 HN LEU 12 20.265 11.279 1.807
102 HA LEU 12 HA LEU 12 19.749 12.892 3.381
103 HB2 LEU 12 HB2 LEU 12 21.623 14.062 1.954
104 HB3 LEU 12 HB1 LEU 12 20.292 15.052 1.320
105 HG LEU 12 HG LEU 12 19.694 15.356 3.918
106 HD11 LEU 12 HD11 LEU 12 21.402 13.793 4.772
107 HD12 LEU 12 HD12 LEU 12 21.766 15.450 5.304
108 HD13 LEU 12 HD13 LEU 12 22.683 14.725 3.964
109 HD21 LEU 12 HD21 LEU 12 22.010 16.748 2.499
110 HD22 LEU 12 HD22 LEU 12 21.224 17.357 3.975
111 HD23 LEU 12 HD23 LEU 12 20.294 17.221 2.463
112 H LEU 13 HN LEU 13 17.903 12.131 0.899
113 HA LEU 13 HA LEU 13 15.738 12.646 0.225
114 HB2 LEU 13 HB2 LEU 13 15.433 13.856 2.996
115 HB3 LEU 13 HB1 LEU 13 14.170 13.126 1.978
116 HG LEU 13 HG LEU 13 16.571 11.633 3.136
117 HD11 LEU 13 HD11 LEU 13 13.625 11.568 3.922
118 HD12 LEU 13 HD12 LEU 13 14.915 12.374 4.848
119 HD13 LEU 13 HD13 LEU 13 14.932 10.604 4.651
120 HD21 LEU 13 HD21 LEU 13 15.916 10.497 1.142
121 HD22 LEU 13 HD22 LEU 13 14.187 10.817 1.421
122 HD23 LEU 13 HD23 LEU 13 15.051 9.637 2.435
Start of MODEL 3
1 H1 LEU 1 HT1 LEU 1 29.896 12.237 -0.394
2 H2 LEU 1 HT2 LEU 1 29.903 10.555 -0.629
3 H3 LEU 1 HT3 LEU 1 29.297 11.583 -1.838
4 HA LEU 1 HA LEU 1 31.250 11.854 -2.734
5 HB2 LEU 1 HB2 LEU 1 31.968 12.569 0.124
6 HB3 LEU 1 HB1 LEU 1 33.246 12.438 -1.107
7 HG LEU 1 HG LEU 1 32.061 14.094 -2.519
8 HD11 LEU 1 HD11 LEU 1 30.156 15.381 -1.384
9 HD12 LEU 1 HD12 LEU 1 30.075 14.044 -0.212
10 HD13 LEU 1 HD13 LEU 1 29.757 13.739 -1.937
11 HD21 LEU 1 HD21 LEU 1 32.431 16.064 -1.051
12 HD22 LEU 1 HD22 LEU 1 33.736 14.868 -0.869
13 HD23 LEU 1 HD23 LEU 1 32.464 14.993 0.370
14 H LEU 2 HN LEU 2 30.816 9.642 -0.086
15 HA LEU 2 HA LEU 2 33.127 7.964 -1.033
16 HB2 LEU 2 HB2 LEU 2 31.414 7.621 1.460
17 HB3 LEU 2 HB1 LEU 2 32.957 6.821 1.094
18 HG LEU 2 HG LEU 2 32.601 9.833 1.456
19 HD11 LEU 2 HD11 LEU 2 33.883 7.799 3.329
20 HD12 LEU 2 HD12 LEU 2 32.235 8.441 3.534
21 HD13 LEU 2 HD13 LEU 2 33.637 9.534 3.632
22 HD21 LEU 2 HD21 LEU 2 35.187 9.610 1.707
23 HD22 LEU 2 HD22 LEU 2 34.512 9.496 0.068
24 HD23 LEU 2 HD23 LEU 2 34.993 8.018 0.935
25 HA PRO 3 HA PRO 3 30.210 5.211 -2.956
26 HB2 PRO 3 HB2 PRO 3 31.548 2.796 -2.831
27 HB3 PRO 3 HB1 PRO 3 32.009 4.114 -3.956
28 HG2 PRO 3 HG2 PRO 3 33.197 3.391 -1.285
29 HG3 PRO 3 HG1 PRO 3 34.021 3.825 -2.816
30 HD2 PRO 3 HD2 PRO 3 33.680 5.635 -0.797
31 HD3 PRO 3 HD1 PRO 3 33.646 6.123 -2.523
32 H ILE 4 HN ILE 4 31.448 4.695 0.261
33 HA ILE 4 HA ILE 4 29.464 2.611 0.940
34 HB ILE 4 HB ILE 4 31.175 4.198 2.902
35 HG12 ILE 4 HG12 ILE 4 31.962 1.786 1.203
36 HG13 ILE 4 HG11 ILE 4 32.672 3.414 1.116
37 HG21 ILE 4 HG21 ILE 4 30.916 2.295 4.314
38 HG22 ILE 4 HG22 ILE 4 30.358 1.266 2.972
39 HG23 ILE 4 HG23 ILE 4 29.304 2.548 3.609
40 HD11 ILE 4 HD1 ILE 4 34.194 2.166 2.455
41 HD12 ILE 4 HD2 ILE 4 32.882 1.385 3.367
42 HD13 ILE 4 HD3 ILE 4 33.242 3.110 3.626
43 H VAL 5 HN VAL 5 30.235 5.753 2.504
44 HA VAL 5 HA VAL 5 27.438 6.653 2.267
45 HB VAL 5 HB VAL 5 28.628 5.945 4.998
46 HG11 VAL 5 HG11 VAL 5 26.402 6.933 5.837
47 HG12 VAL 5 HG12 VAL 5 26.228 7.661 4.224
48 HG13 VAL 5 HG13 VAL 5 27.601 8.110 5.262
49 HG21 VAL 5 HG21 VAL 5 26.172 5.031 3.432
50 HG22 VAL 5 HG22 VAL 5 26.381 4.716 5.170
51 HG23 VAL 5 HG23 VAL 5 27.530 4.038 4.005
52 H GLY 6 HN GLY 6 28.047 8.539 1.333
53 HA2 GLY 6 HA1 GLY 6 30.357 10.042 2.191
54 HA3 GLY 6 HA2 GLY 6 29.065 10.610 1.115
55 H ASN 7 HN ASN 7 26.833 10.666 2.519
56 HA ASN 7 HA ASN 7 27.344 11.932 5.168
57 HB2 ASN 7 HB2 ASN 7 26.035 13.405 2.843
58 HB3 ASN 7 HB1 ASN 7 26.071 13.969 4.530
59 HD21 ASN 7 HD21 ASN 7 27.722 14.148 1.552
60 HD22 ASN 7 HD22 ASN 7 29.277 14.710 2.173
61 H LEU 8 HN LEU 8 25.229 10.722 2.644
62 HA LEU 8 HA LEU 8 23.465 9.501 4.568
63 HB2 LEU 8 HB2 LEU 8 22.848 12.124 4.378
64 HB3 LEU 8 HB1 LEU 8 21.975 11.571 2.935
65 HG LEU 8 HG LEU 8 21.631 10.364 5.725
66 HD11 LEU 8 HD11 LEU 8 19.837 12.306 4.204
67 HD12 LEU 8 HD12 LEU 8 20.883 12.748 5.574
68 HD13 LEU 8 HD13 LEU 8 19.530 11.618 5.816
69 HD21 LEU 8 HD21 LEU 8 19.537 9.442 4.650
70 HD22 LEU 8 HD22 LEU 8 21.040 8.795 3.950
71 HD23 LEU 8 HD23 LEU 8 20.124 10.057 3.088
72 H LEU 9 HN LEU 9 24.991 8.493 2.580
73 HA LEU 9 HA LEU 9 24.819 7.007 0.816
74 HB2 LEU 9 HB2 LEU 9 22.404 6.745 2.063
75 HB3 LEU 9 HB1 LEU 9 21.840 7.337 0.488
76 HG LEU 9 HG LEU 9 23.686 4.937 0.915
77 HD11 LEU 9 HD11 LEU 9 21.348 4.577 1.706
78 HD12 LEU 9 HD12 LEU 9 21.728 3.596 0.269
79 HD13 LEU 9 HD13 LEU 9 20.747 5.073 0.106
80 HD21 LEU 9 HD21 LEU 9 22.322 6.076 -1.569
81 HD22 LEU 9 HD22 LEU 9 23.196 4.527 -1.506
82 HD23 LEU 9 HD23 LEU 9 24.073 6.053 -1.243
83 H LYS 10 HN LYS 10 25.269 9.826 0.483
84 HA LYS 10 HA LYS 10 25.338 11.426 -1.192
85 HB2 LYS 10 HB2 LYS 10 26.302 9.319 -2.317
86 HB3 LYS 10 HB1 LYS 10 24.729 9.168 -3.134
87 HG2 LYS 10 HG2 LYS 10 25.083 11.657 -3.841
88 HG3 LYS 10 HG1 LYS 10 26.775 11.411 -3.351
89 HD2 LYS 10 HD2 LYS 10 25.262 9.736 -5.405
90 HD3 LYS 10 HD1 LYS 10 26.471 10.986 -5.776
91 HE2 LYS 10 HE2 LYS 10 28.090 9.632 -4.281
92 HE3 LYS 10 HE1 LYS 10 26.891 8.319 -4.379
93 HZ1 LYS 10 HZ1 LYS 10 27.697 7.800 -6.359
94 HZ2 LYS 10 HZ2 LYS 10 28.822 9.070 -6.275
95 HZ3 LYS 10 HZ3 LYS 10 27.289 9.334 -6.957
96 H SER 11 HN SER 11 23.581 10.382 -3.767
97 HA SER 11 HA SER 11 21.522 11.014 -4.616
98 HB2 SER 11 HB2 SER 11 20.805 9.370 -2.804
99 HB3 SER 11 HB1 SER 11 20.485 10.779 -1.768
100 HG SER 11 HG SER 11 19.101 11.541 -3.476
101 H LEU 12 HN LEU 12 22.945 13.136 -4.573
102 HA LEU 12 HA LEU 12 22.915 15.445 -4.415
103 HB2 LEU 12 HB2 LEU 12 19.991 15.188 -3.626
104 HB3 LEU 12 HB1 LEU 12 20.792 16.558 -4.425
105 HG LEU 12 HG LEU 12 20.388 13.769 -5.595
106 HD11 LEU 12 HD11 LEU 12 18.338 15.148 -5.517
107 HD12 LEU 12 HD12 LEU 12 18.913 14.976 -7.192
108 HD13 LEU 12 HD13 LEU 12 19.200 16.491 -6.302
109 HD21 LEU 12 HD21 LEU 12 21.897 16.230 -6.565
110 HD22 LEU 12 HD22 LEU 12 21.230 15.048 -7.718
111 HD23 LEU 12 HD23 LEU 12 22.440 14.535 -6.521
112 H LEU 13 HN LEU 13 20.412 14.826 -1.923
113 HA LEU 13 HA LEU 13 21.888 16.518 -0.035
114 HB2 LEU 13 HB2 LEU 13 19.490 14.786 0.643
115 HB3 LEU 13 HB1 LEU 13 19.972 16.354 1.337
116 HG LEU 13 HG LEU 13 18.921 15.849 -1.482
117 HD11 LEU 13 HD11 LEU 13 17.020 17.192 -0.748
118 HD12 LEU 13 HD12 LEU 13 17.798 17.502 0.822
119 HD13 LEU 13 HD13 LEU 13 17.255 15.858 0.407
120 HD21 LEU 13 HD21 LEU 13 20.061 18.337 -0.139
121 HD22 LEU 13 HD22 LEU 13 18.996 18.422 -1.565
122 HD23 LEU 13 HD23 LEU 13 20.566 17.592 -1.674
Start of MODEL 4
1 H1 LEU 1 HT1 LEU 1 28.473 10.117 6.894
2 H2 LEU 1 HT2 LEU 1 29.182 9.310 5.578
3 H3 LEU 1 HT3 LEU 1 28.654 10.918 5.412
4 HA LEU 1 HA LEU 1 30.788 11.378 5.720
5 HB2 LEU 1 HB2 LEU 1 30.193 10.744 8.629
6 HB3 LEU 1 HB1 LEU 1 31.184 12.061 7.957
7 HG LEU 1 HG LEU 1 28.156 11.768 7.698
8 HD11 LEU 1 HD11 LEU 1 29.873 13.806 9.185
9 HD12 LEU 1 HD12 LEU 1 28.993 12.461 9.948
10 HD13 LEU 1 HD13 LEU 1 28.095 13.762 9.133
11 HD21 LEU 1 HD21 LEU 1 28.428 14.159 6.754
12 HD22 LEU 1 HD22 LEU 1 28.926 12.826 5.691
13 HD23 LEU 1 HD23 LEU 1 30.155 13.772 6.567
14 H LEU 2 HN LEU 2 29.947 8.248 5.924
15 HA LEU 2 HA LEU 2 32.600 7.323 7.003
16 HB2 LEU 2 HB2 LEU 2 30.216 5.573 6.308
17 HB3 LEU 2 HB1 LEU 2 31.585 5.207 7.381
18 HG LEU 2 HG LEU 2 29.412 7.291 7.884
19 HD11 LEU 2 HD11 LEU 2 28.684 5.792 9.654
20 HD12 LEU 2 HD12 LEU 2 30.063 4.705 9.361
21 HD13 LEU 2 HD13 LEU 2 28.775 4.860 8.142
22 HD21 LEU 2 HD21 LEU 2 31.425 8.136 8.876
23 HD22 LEU 2 HD22 LEU 2 31.941 6.514 9.399
24 HD23 LEU 2 HD23 LEU 2 30.567 7.315 10.199
25 HA PRO 3 HA PRO 3 34.413 6.351 3.054
26 HB2 PRO 3 HB2 PRO 3 34.354 3.493 4.077
27 HB3 PRO 3 HB1 PRO 3 35.663 4.356 3.205
28 HG2 PRO 3 HG2 PRO 3 35.744 4.047 5.866
29 HG3 PRO 3 HG1 PRO 3 36.307 5.557 5.086
30 HD2 PRO 3 HD2 PRO 3 33.841 5.092 6.721
31 HD3 PRO 3 HD1 PRO 3 34.722 6.620 6.393
32 H ILE 4 HN ILE 4 31.979 4.001 4.260
33 HA ILE 4 HA ILE 4 31.163 3.042 1.694
34 HB ILE 4 HB ILE 4 29.342 3.321 4.123
35 HG12 ILE 4 HG12 ILE 4 31.459 1.209 3.503
36 HG13 ILE 4 HG11 ILE 4 31.482 2.357 4.860
37 HG21 ILE 4 HG21 ILE 4 28.463 2.536 1.833
38 HG22 ILE 4 HG22 ILE 4 28.193 1.432 3.198
39 HG23 ILE 4 HG23 ILE 4 29.502 1.106 2.038
40 HD11 ILE 4 HD1 ILE 4 29.180 1.321 5.514
41 HD12 ILE 4 HD2 ILE 4 30.644 0.356 5.821
42 HD13 ILE 4 HD3 ILE 4 29.626 -0.002 4.408
43 H VAL 5 HN VAL 5 29.139 5.112 3.819
44 HA VAL 5 HA VAL 5 27.729 6.176 1.492
45 HB VAL 5 HB VAL 5 26.628 7.670 3.242
46 HG11 VAL 5 HG11 VAL 5 25.724 5.458 2.546
47 HG12 VAL 5 HG12 VAL 5 25.378 5.814 4.255
48 HG13 VAL 5 HG13 VAL 5 26.681 4.678 3.826
49 HG21 VAL 5 HG21 VAL 5 27.123 7.342 5.567
50 HG22 VAL 5 HG22 VAL 5 28.707 7.538 4.784
51 HG23 VAL 5 HG23 VAL 5 28.134 5.917 5.232
52 H GLY 6 HN GLY 6 27.904 8.837 3.399
53 HA2 GLY 6 HA1 GLY 6 30.376 10.037 3.127
54 HA3 GLY 6 HA2 GLY 6 29.671 10.199 1.504
55 H ASN 7 HN ASN 7 26.933 10.264 2.711
56 HA ASN 7 HA ASN 7 26.735 12.559 4.435
57 HB2 ASN 7 HB2 ASN 7 27.573 13.730 2.391
58 HB3 ASN 7 HB1 ASN 7 26.184 13.087 1.483
59 HD21 ASN 7 HD21 ASN 7 26.060 15.714 1.370
60 HD22 ASN 7 HD22 ASN 7 24.989 16.412 2.589
61 H LEU 8 HN LEU 8 25.718 9.911 4.138
62 HA LEU 8 HA LEU 8 23.671 8.940 4.664
63 HB2 LEU 8 HB2 LEU 8 22.933 11.434 5.205
64 HB3 LEU 8 HB1 LEU 8 22.086 11.320 3.649
65 HG LEU 8 HG LEU 8 21.164 9.024 4.626
66 HD11 LEU 8 HD11 LEU 8 20.801 9.204 7.114
67 HD12 LEU 8 HD12 LEU 8 21.949 10.561 7.147
68 HD13 LEU 8 HD13 LEU 8 22.501 8.937 6.672
69 HD21 LEU 8 HD21 LEU 8 20.207 11.732 5.664
70 HD22 LEU 8 HD22 LEU 8 19.239 10.238 5.612
71 HD23 LEU 8 HD23 LEU 8 19.774 11.005 4.098
72 H LEU 9 HN LEU 9 24.802 7.951 2.698
73 HA LEU 9 HA LEU 9 24.527 6.858 0.676
74 HB2 LEU 9 HB2 LEU 9 21.624 7.783 0.772
75 HB3 LEU 9 HB1 LEU 9 22.287 6.460 -0.204
76 HG LEU 9 HG LEU 9 22.627 6.397 2.820
77 HD11 LEU 9 HD11 LEU 9 20.230 6.801 2.496
78 HD12 LEU 9 HD12 LEU 9 20.495 5.103 2.958
79 HD13 LEU 9 HD13 LEU 9 20.155 5.522 1.262
80 HD21 LEU 9 HD21 LEU 9 23.808 4.734 1.374
81 HD22 LEU 9 HD22 LEU 9 22.242 4.232 0.698
82 HD23 LEU 9 HD23 LEU 9 22.596 3.960 2.420
83 H LYS 10 HN LYS 10 25.248 9.711 0.876
84 HA LYS 10 HA LYS 10 25.635 11.497 -0.551
85 HB2 LYS 10 HB2 LYS 10 25.073 9.426 -2.710
86 HB3 LYS 10 HB1 LYS 10 25.940 10.966 -2.925
87 HG2 LYS 10 HG2 LYS 10 27.703 10.245 -1.398
88 HG3 LYS 10 HG1 LYS 10 26.808 8.754 -1.015
89 HD2 LYS 10 HD2 LYS 10 27.060 7.930 -3.275
90 HD3 LYS 10 HD1 LYS 10 27.717 9.488 -3.828
91 HE2 LYS 10 HE2 LYS 10 29.715 9.201 -2.479
92 HE3 LYS 10 HE1 LYS 10 29.036 7.754 -1.696
93 HZ1 LYS 10 HZ1 LYS 10 28.849 7.181 -4.341
94 HZ2 LYS 10 HZ2 LYS 10 30.084 6.646 -3.304
95 HZ3 LYS 10 HZ3 LYS 10 30.315 8.029 -4.262
96 H SER 11 HN SER 11 24.710 12.822 -2.429
97 HA SER 11 HA SER 11 21.888 12.446 -3.046
98 HB2 SER 11 HB2 SER 11 21.047 14.431 -1.854
99 HB3 SER 11 HB1 SER 11 21.679 13.227 -0.709
100 HG SER 11 HG SER 11 23.747 14.592 -1.178
101 H LEU 12 HN LEU 12 24.944 13.872 -3.372
102 HA LEU 12 HA LEU 12 24.083 16.139 -5.044
103 HB2 LEU 12 HB2 LEU 12 26.889 14.992 -4.895
104 HB3 LEU 12 HB1 LEU 12 26.384 16.671 -5.202
105 HG LEU 12 HG LEU 12 26.125 15.137 -2.577
106 HD11 LEU 12 HD11 LEU 12 27.729 17.618 -3.340
107 HD12 LEU 12 HD12 LEU 12 28.403 15.980 -3.163
108 HD13 LEU 12 HD13 LEU 12 27.715 16.817 -1.751
109 HD21 LEU 12 HD21 LEU 12 24.189 16.552 -2.722
110 HD22 LEU 12 HD22 LEU 12 25.122 17.878 -3.458
111 HD23 LEU 12 HD23 LEU 12 25.368 17.459 -1.745
112 H LEU 13 HN LEU 13 25.515 12.897 -5.513
113 HA LEU 13 HA LEU 13 25.781 11.634 -7.445
114 HB2 LEU 13 HB2 LEU 13 23.231 13.184 -8.006
115 HB3 LEU 13 HB1 LEU 13 23.885 12.046 -9.207
116 HG LEU 13 HG LEU 13 23.862 10.244 -7.475
117 HD11 LEU 13 HD11 LEU 13 22.678 12.489 -5.795
118 HD12 LEU 13 HD12 LEU 13 24.063 11.437 -5.413
119 HD13 LEU 13 HD13 LEU 13 22.414 10.773 -5.403
120 HD21 LEU 13 HD21 LEU 13 21.195 11.684 -7.837
121 HD22 LEU 13 HD22 LEU 13 21.409 9.961 -7.442
122 HD23 LEU 13 HD23 LEU 13 21.942 10.585 -9.021
Start of MODEL 5
1 H1 LEU 1 HT1 LEU 1 27.460 7.219 -1.067
2 H2 LEU 1 HT2 LEU 1 26.169 8.107 -1.724
3 H3 LEU 1 HT3 LEU 1 27.538 8.912 -1.121
4 HA LEU 1 HA LEU 1 27.118 7.536 -3.627
5 HB2 LEU 1 HB2 LEU 1 27.234 9.961 -3.583
6 HB3 LEU 1 HB1 LEU 1 28.751 9.919 -2.660
7 HG LEU 1 HG LEU 1 29.944 8.942 -4.557
8 HD11 LEU 1 HD11 LEU 1 28.598 8.772 -6.789
9 HD12 LEU 1 HD12 LEU 1 27.153 8.739 -5.750
10 HD13 LEU 1 HD13 LEU 1 28.393 7.471 -5.596
11 HD21 LEU 1 HD21 LEU 1 28.154 11.196 -5.564
12 HD22 LEU 1 HD22 LEU 1 29.805 10.809 -6.108
13 HD23 LEU 1 HD23 LEU 1 29.532 11.433 -4.463
14 H LEU 2 HN LEU 2 29.648 8.065 -1.152
15 HA LEU 2 HA LEU 2 31.697 6.649 -2.609
16 HB2 LEU 2 HB2 LEU 2 31.315 7.466 0.289
17 HB3 LEU 2 HB1 LEU 2 32.721 6.500 -0.210
18 HG LEU 2 HG LEU 2 33.386 8.231 -1.819
19 HD11 LEU 2 HD11 LEU 2 32.092 10.477 -1.658
20 HD12 LEU 2 HD12 LEU 2 30.779 9.523 -0.926
21 HD13 LEU 2 HD13 LEU 2 31.329 9.163 -2.580
22 HD21 LEU 2 HD21 LEU 2 34.080 8.385 0.600
23 HD22 LEU 2 HD22 LEU 2 32.709 9.486 0.879
24 HD23 LEU 2 HD23 LEU 2 34.024 9.964 -0.220
25 HA PRO 3 HA PRO 3 30.859 2.302 -2.195
26 HB2 PRO 3 HB2 PRO 3 33.368 2.254 -0.487
27 HB3 PRO 3 HB1 PRO 3 32.849 1.113 -1.770
28 HG2 PRO 3 HG2 PRO 3 34.670 3.023 -2.260
29 HG3 PRO 3 HG1 PRO 3 33.448 2.558 -3.486
30 HD2 PRO 3 HD2 PRO 3 33.619 5.069 -1.864
31 HD3 PRO 3 HD1 PRO 3 32.787 4.772 -3.426
32 H ILE 4 HN ILE 4 31.870 4.125 0.685
33 HA ILE 4 HA ILE 4 30.302 2.310 2.470
34 HB ILE 4 HB ILE 4 31.301 4.054 4.224
35 HG12 ILE 4 HG12 ILE 4 33.303 4.360 1.936
36 HG13 ILE 4 HG11 ILE 4 32.037 5.565 2.242
37 HG21 ILE 4 HG21 ILE 4 33.348 2.706 4.388
38 HG22 ILE 4 HG22 ILE 4 33.133 2.129 2.720
39 HG23 ILE 4 HG23 ILE 4 31.975 1.654 3.984
40 HD11 ILE 4 HD1 ILE 4 33.920 6.393 3.422
41 HD12 ILE 4 HD2 ILE 4 34.371 4.781 4.021
42 HD13 ILE 4 HD3 ILE 4 32.946 5.613 4.687
43 H VAL 5 HN VAL 5 30.662 5.641 3.357
44 HA VAL 5 HA VAL 5 27.914 6.350 2.440
45 HB VAL 5 HB VAL 5 28.709 6.569 5.376
46 HG11 VAL 5 HG11 VAL 5 26.074 6.920 3.875
47 HG12 VAL 5 HG12 VAL 5 27.069 8.228 4.561
48 HG13 VAL 5 HG13 VAL 5 26.282 7.049 5.639
49 HG21 VAL 5 HG21 VAL 5 27.020 4.497 3.908
50 HG22 VAL 5 HG22 VAL 5 26.964 4.740 5.671
51 HG23 VAL 5 HG23 VAL 5 28.473 4.207 4.895
52 H GLY 6 HN GLY 6 28.001 8.319 1.609
53 HA2 GLY 6 HA1 GLY 6 30.318 10.050 2.179
54 HA3 GLY 6 HA2 GLY 6 29.007 10.357 1.021
55 H ASN 7 HN ASN 7 26.801 10.701 2.090
56 HA ASN 7 HA ASN 7 26.978 12.088 4.718
57 HB2 ASN 7 HB2 ASN 7 26.042 13.467 2.166
58 HB3 ASN 7 HB1 ASN 7 25.892 14.124 3.812
59 HD21 ASN 7 HD21 ASN 7 27.609 15.387 4.540
60 HD22 ASN 7 HD22 ASN 7 29.223 15.372 3.821
61 H LEU 8 HN LEU 8 25.837 9.644 3.831
62 HA LEU 8 HA LEU 8 23.878 8.569 4.560
63 HB2 LEU 8 HB2 LEU 8 23.152 10.898 5.576
64 HB3 LEU 8 HB1 LEU 8 22.177 11.038 4.097
65 HG LEU 8 HG LEU 8 21.373 8.574 4.741
66 HD11 LEU 8 HD11 LEU 8 21.217 8.308 7.228
67 HD12 LEU 8 HD12 LEU 8 22.283 9.719 7.424
68 HD13 LEU 8 HD13 LEU 8 22.895 8.242 6.645
69 HD21 LEU 8 HD21 LEU 8 19.518 9.568 6.082
70 HD22 LEU 8 HD22 LEU 8 19.890 10.539 4.636
71 HD23 LEU 8 HD23 LEU 8 20.456 11.073 6.238
72 H LEU 9 HN LEU 9 24.803 7.939 2.332
73 HA LEU 9 HA LEU 9 24.313 7.207 0.189
74 HB2 LEU 9 HB2 LEU 9 21.401 7.876 0.749
75 HB3 LEU 9 HB1 LEU 9 22.060 6.621 -0.327
76 HG LEU 9 HG LEU 9 22.244 6.679 2.719
77 HD11 LEU 9 HD11 LEU 9 20.779 4.743 2.619
78 HD12 LEU 9 HD12 LEU 9 20.858 4.718 0.841
79 HD13 LEU 9 HD13 LEU 9 20.029 6.053 1.678
80 HD21 LEU 9 HD21 LEU 9 23.193 4.303 2.283
81 HD22 LEU 9 HD22 LEU 9 24.279 5.674 1.970
82 HD23 LEU 9 HD23 LEU 9 23.472 4.851 0.613
83 H LYS 10 HN LYS 10 25.039 9.946 0.642
84 HA LYS 10 HA LYS 10 23.593 11.953 -0.563
85 HB2 LYS 10 HB2 LYS 10 26.008 11.991 0.315
86 HB3 LYS 10 HB1 LYS 10 26.498 11.450 -1.305
87 HG2 LYS 10 HG2 LYS 10 25.509 13.432 -2.328
88 HG3 LYS 10 HG1 LYS 10 24.827 13.947 -0.766
89 HD2 LYS 10 HD2 LYS 10 27.128 14.139 0.160
90 HD3 LYS 10 HD1 LYS 10 27.793 13.670 -1.424
91 HE2 LYS 10 HE2 LYS 10 26.161 16.156 -0.763
92 HE3 LYS 10 HE1 LYS 10 27.852 16.084 -1.317
93 HZ1 LYS 10 HZ1 LYS 10 25.391 15.872 -2.834
94 HZ2 LYS 10 HZ2 LYS 10 26.570 14.722 -3.248
95 HZ3 LYS 10 HZ3 LYS 10 26.932 16.380 -3.326
96 H SER 11 HN SER 11 23.620 12.916 -2.721
97 HA SER 11 HA SER 11 23.416 12.832 -5.031
98 HB2 SER 11 HB2 SER 11 25.567 11.312 -4.759
99 HB3 SER 11 HB1 SER 11 24.451 9.996 -5.189
100 HG SER 11 HG SER 11 25.280 10.840 -7.074
101 H LEU 12 HN LEU 12 22.911 9.434 -3.952
102 HA LEU 12 HA LEU 12 20.441 9.264 -5.527
103 HB2 LEU 12 HB2 LEU 12 21.376 7.295 -3.410
104 HB3 LEU 12 HB1 LEU 12 20.386 6.985 -4.856
105 HG LEU 12 HG LEU 12 23.324 7.808 -4.825
106 HD11 LEU 12 HD11 LEU 12 23.655 5.538 -5.796
107 HD12 LEU 12 HD12 LEU 12 21.916 5.216 -5.601
108 HD13 LEU 12 HD13 LEU 12 22.942 5.464 -4.169
109 HD21 LEU 12 HD21 LEU 12 22.365 8.784 -6.790
110 HD22 LEU 12 HD22 LEU 12 21.312 7.376 -7.074
111 HD23 LEU 12 HD23 LEU 12 23.069 7.247 -7.341
112 H LEU 13 HN LEU 13 20.953 11.069 -2.973
113 HA LEU 13 HA LEU 13 19.706 11.763 -1.135
114 HB2 LEU 13 HB2 LEU 13 17.282 10.755 -2.664
115 HB3 LEU 13 HB1 LEU 13 17.407 12.162 -1.582
116 HG LEU 13 HG LEU 13 18.733 11.846 -4.311
117 HD11 LEU 13 HD11 LEU 13 17.245 13.691 -4.956
118 HD12 LEU 13 HD12 LEU 13 16.593 13.772 -3.302
119 HD13 LEU 13 HD13 LEU 13 16.281 12.340 -4.313
120 HD21 LEU 13 HD21 LEU 13 19.318 14.328 -3.854
121 HD22 LEU 13 HD22 LEU 13 20.270 13.107 -2.981
122 HD23 LEU 13 HD23 LEU 13 18.960 13.979 -2.146
Start of MODEL 6
1 H1 LEU 1 HT1 LEU 1 30.260 12.480 0.679
2 H2 LEU 1 HT2 LEU 1 31.756 13.040 0.101
3 H3 LEU 1 HT3 LEU 1 31.597 11.439 0.648
4 HA LEU 1 HA LEU 1 29.678 11.661 -1.247
5 HB2 LEU 1 HB2 LEU 1 32.180 13.228 -1.959
6 HB3 LEU 1 HB1 LEU 1 31.197 12.437 -3.214
7 HG LEU 1 HG LEU 1 29.207 13.692 -2.481
8 HD11 LEU 1 HD11 LEU 1 29.504 13.993 -0.140
9 HD12 LEU 1 HD12 LEU 1 29.668 15.631 -0.812
10 HD13 LEU 1 HD13 LEU 1 31.120 14.712 -0.345
11 HD21 LEU 1 HD21 LEU 1 30.720 14.694 -4.172
12 HD22 LEU 1 HD22 LEU 1 31.658 15.471 -2.874
13 HD23 LEU 1 HD23 LEU 1 29.968 15.952 -3.163
14 H LEU 2 HN LEU 2 30.559 9.607 0.098
15 HA LEU 2 HA LEU 2 32.580 8.178 -1.617
16 HB2 LEU 2 HB2 LEU 2 31.488 7.294 1.082
17 HB3 LEU 2 HB1 LEU 2 32.971 6.754 0.266
18 HG LEU 2 HG LEU 2 32.437 9.540 1.387
19 HD11 LEU 2 HD11 LEU 2 32.903 7.828 3.102
20 HD12 LEU 2 HD12 LEU 2 34.287 8.936 2.937
21 HD13 LEU 2 HD13 LEU 2 34.354 7.313 2.210
22 HD21 LEU 2 HD21 LEU 2 34.959 9.781 0.819
23 HD22 LEU 2 HD22 LEU 2 33.817 9.860 -0.539
24 HD23 LEU 2 HD23 LEU 2 34.734 8.365 -0.235
25 HA PRO 3 HA PRO 3 29.300 5.705 -3.320
26 HB2 PRO 3 HB2 PRO 3 30.568 3.249 -3.668
27 HB3 PRO 3 HB1 PRO 3 30.806 4.657 -4.750
28 HG2 PRO 3 HG2 PRO 3 32.516 3.703 -2.466
29 HG3 PRO 3 HG1 PRO 3 33.006 4.291 -4.086
30 HD2 PRO 3 HD2 PRO 3 33.143 5.896 -1.897
31 HD3 PRO 3 HD1 PRO 3 32.699 6.550 -3.507
32 H ILE 4 HN ILE 4 31.082 4.711 -0.473
33 HA ILE 4 HA ILE 4 29.139 2.637 0.305
34 HB ILE 4 HB ILE 4 31.241 3.962 2.075
35 HG12 ILE 4 HG12 ILE 4 31.556 1.558 0.213
36 HG13 ILE 4 HG11 ILE 4 32.277 3.162 -0.055
37 HG21 ILE 4 HG21 ILE 4 29.405 2.425 3.027
38 HG22 ILE 4 HG22 ILE 4 31.083 1.955 3.376
39 HG23 ILE 4 HG23 ILE 4 30.169 1.111 2.103
40 HD11 ILE 4 HD1 ILE 4 32.911 1.146 2.125
41 HD12 ILE 4 HD2 ILE 4 33.341 2.866 2.302
42 HD13 ILE 4 HD3 ILE 4 34.018 1.910 0.962
43 H VAL 5 HN VAL 5 30.153 5.847 1.574
44 HA VAL 5 HA VAL 5 27.452 6.694 2.053
45 HB VAL 5 HB VAL 5 27.463 5.036 3.860
46 HG11 VAL 5 HG11 VAL 5 29.743 6.510 5.225
47 HG12 VAL 5 HG12 VAL 5 30.073 5.190 4.079
48 HG13 VAL 5 HG13 VAL 5 29.109 4.881 5.541
49 HG21 VAL 5 HG21 VAL 5 26.359 7.284 4.172
50 HG22 VAL 5 HG22 VAL 5 27.816 7.835 5.030
51 HG23 VAL 5 HG23 VAL 5 26.843 6.503 5.695
52 H GLY 6 HN GLY 6 27.723 8.759 1.558
53 HA2 GLY 6 HA1 GLY 6 30.246 10.142 2.257
54 HA3 GLY 6 HA2 GLY 6 28.921 10.766 1.256
55 H ASN 7 HN ASN 7 26.735 10.806 2.661
56 HA ASN 7 HA ASN 7 27.217 11.750 5.423
57 HB2 ASN 7 HB2 ASN 7 26.188 13.647 3.270
58 HB3 ASN 7 HB1 ASN 7 26.252 13.987 5.016
59 HD21 ASN 7 HD21 ASN 7 28.014 14.222 2.074
60 HD22 ASN 7 HD22 ASN 7 29.596 14.554 2.782
61 H LEU 8 HN LEU 8 25.238 10.828 2.735
62 HA LEU 8 HA LEU 8 23.148 9.874 4.511
63 HB2 LEU 8 HB2 LEU 8 22.667 12.392 4.274
64 HB3 LEU 8 HB1 LEU 8 22.329 12.058 2.562
65 HG LEU 8 HG LEU 8 20.727 10.162 3.541
66 HD11 LEU 8 HD11 LEU 8 21.352 10.378 5.902
67 HD12 LEU 8 HD12 LEU 8 19.671 10.917 5.694
68 HD13 LEU 8 HD13 LEU 8 20.971 12.117 5.877
69 HD21 LEU 8 HD21 LEU 8 19.975 12.137 2.247
70 HD22 LEU 8 HD22 LEU 8 20.034 13.129 3.724
71 HD23 LEU 8 HD23 LEU 8 18.864 11.793 3.595
72 H LEU 9 HN LEU 9 24.744 8.485 2.868
73 HA LEU 9 HA LEU 9 24.660 6.902 1.191
74 HB2 LEU 9 HB2 LEU 9 22.243 6.697 2.176
75 HB3 LEU 9 HB1 LEU 9 21.737 7.571 0.715
76 HG LEU 9 HG LEU 9 23.215 5.724 -0.540
77 HD11 LEU 9 HD11 LEU 9 23.059 3.517 0.626
78 HD12 LEU 9 HD12 LEU 9 22.481 4.350 2.087
79 HD13 LEU 9 HD13 LEU 9 24.126 4.653 1.481
80 HD21 LEU 9 HD21 LEU 9 20.469 5.198 0.683
81 HD22 LEU 9 HD22 LEU 9 21.181 4.240 -0.637
82 HD23 LEU 9 HD23 LEU 9 20.811 5.963 -0.887
83 H LYS 10 HN LYS 10 25.272 9.727 0.664
84 HA LYS 10 HA LYS 10 25.674 11.093 -1.168
85 HB2 LYS 10 HB2 LYS 10 26.655 8.886 -1.964
86 HB3 LYS 10 HB1 LYS 10 25.132 8.605 -2.836
87 HG2 LYS 10 HG2 LYS 10 25.464 10.541 -4.229
88 HG3 LYS 10 HG1 LYS 10 26.810 11.122 -3.218
89 HD2 LYS 10 HD2 LYS 10 28.172 9.185 -3.859
90 HD3 LYS 10 HD1 LYS 10 26.817 8.516 -4.802
91 HE2 LYS 10 HE2 LYS 10 28.332 9.652 -6.335
92 HE3 LYS 10 HE1 LYS 10 26.840 10.614 -6.202
93 HZ1 LYS 10 HZ1 LYS 10 29.489 11.133 -4.985
94 HZ2 LYS 10 HZ2 LYS 10 28.079 11.845 -4.360
95 HZ3 LYS 10 HZ3 LYS 10 28.552 12.154 -5.963
96 H SER 11 HN SER 11 24.728 12.090 -3.141
97 HA SER 11 HA SER 11 21.881 11.465 -3.671
98 HB2 SER 11 HB2 SER 11 21.208 13.850 -3.179
99 HB3 SER 11 HB1 SER 11 21.600 12.884 -1.740
100 HG SER 11 HG SER 11 23.743 13.811 -1.899
101 H LEU 12 HN LEU 12 24.810 13.362 -4.228
102 HA LEU 12 HA LEU 12 23.839 14.648 -6.642
103 HB2 LEU 12 HB2 LEU 12 26.743 14.063 -5.972
104 HB3 LEU 12 HB1 LEU 12 26.077 15.406 -6.930
105 HG LEU 12 HG LEU 12 25.672 14.957 -3.938
106 HD11 LEU 12 HD11 LEU 12 27.951 15.755 -4.718
107 HD12 LEU 12 HD12 LEU 12 27.094 16.898 -3.654
108 HD13 LEU 12 HD13 LEU 12 27.145 17.182 -5.411
109 HD21 LEU 12 HD21 LEU 12 24.695 17.354 -4.161
110 HD22 LEU 12 HD22 LEU 12 23.681 16.012 -4.735
111 HD23 LEU 12 HD23 LEU 12 24.577 17.013 -5.904
112 H LEU 13 HN LEU 13 22.853 12.923 -7.808
113 HA LEU 13 HA LEU 13 24.268 10.563 -8.595
114 HB2 LEU 13 HB2 LEU 13 21.864 10.641 -8.780
115 HB3 LEU 13 HB1 LEU 13 21.932 12.069 -9.833
116 HG LEU 13 HG LEU 13 22.895 10.785 -11.649
117 HD11 LEU 13 HD11 LEU 13 23.183 8.616 -9.532
118 HD12 LEU 13 HD12 LEU 13 24.440 9.312 -10.583
119 HD13 LEU 13 HD13 LEU 13 23.205 8.234 -11.270
120 HD21 LEU 13 HD21 LEU 13 20.666 9.202 -10.288
121 HD22 LEU 13 HD22 LEU 13 21.113 9.090 -12.009
122 HD23 LEU 13 HD23 LEU 13 20.446 10.608 -11.358
Start of MODEL 7
1 H1 LEU 1 HT1 LEU 1 30.125 12.904 0.071
2 H2 LEU 1 HT2 LEU 1 31.405 13.437 -0.913
3 H3 LEU 1 HT3 LEU 1 31.511 11.945 -0.105
4 HA LEU 1 HA LEU 1 29.222 11.718 -1.511
5 HB2 LEU 1 HB2 LEU 1 31.308 13.333 -3.017
6 HB3 LEU 1 HB1 LEU 1 30.158 12.279 -3.873
7 HG LEU 1 HG LEU 1 28.262 13.490 -2.894
8 HD11 LEU 1 HD11 LEU 1 30.460 14.941 -1.370
9 HD12 LEU 1 HD12 LEU 1 29.006 14.138 -0.728
10 HD13 LEU 1 HD13 LEU 1 28.855 15.672 -1.612
11 HD21 LEU 1 HD21 LEU 1 30.378 15.376 -4.028
12 HD22 LEU 1 HD22 LEU 1 28.626 15.686 -3.990
13 HD23 LEU 1 HD23 LEU 1 29.274 14.359 -4.984
14 H LEU 2 HN LEU 2 30.290 9.841 -0.296
15 HA LEU 2 HA LEU 2 32.312 8.429 -2.009
16 HB2 LEU 2 HB2 LEU 2 31.291 7.597 0.734
17 HB3 LEU 2 HB1 LEU 2 32.792 7.101 -0.075
18 HG LEU 2 HG LEU 2 32.134 9.908 0.923
19 HD11 LEU 2 HD11 LEU 2 32.660 8.227 2.692
20 HD12 LEU 2 HD12 LEU 2 33.918 9.479 2.554
21 HD13 LEU 2 HD13 LEU 2 34.190 7.861 1.862
22 HD21 LEU 2 HD21 LEU 2 33.516 10.183 -1.010
23 HD22 LEU 2 HD22 LEU 2 34.493 8.747 -0.617
24 HD23 LEU 2 HD23 LEU 2 34.646 10.226 0.362
25 HA PRO 3 HA PRO 3 29.159 5.735 -3.603
26 HB2 PRO 3 HB2 PRO 3 30.529 3.311 -3.800
27 HB3 PRO 3 HB1 PRO 3 30.700 4.660 -4.967
28 HG2 PRO 3 HG2 PRO 3 32.458 3.922 -2.639
29 HG3 PRO 3 HG1 PRO 3 32.915 4.442 -4.292
30 HD2 PRO 3 HD2 PRO 3 32.986 6.170 -2.200
31 HD3 PRO 3 HD1 PRO 3 32.497 6.712 -3.839
32 H ILE 4 HN ILE 4 30.967 4.903 -0.706
33 HA ILE 4 HA ILE 4 29.067 2.827 0.156
34 HB ILE 4 HB ILE 4 31.114 4.293 1.878
35 HG12 ILE 4 HG12 ILE 4 31.476 1.877 0.045
36 HG13 ILE 4 HG11 ILE 4 32.254 3.466 -0.136
37 HG21 ILE 4 HG21 ILE 4 29.311 2.753 2.889
38 HG22 ILE 4 HG22 ILE 4 30.998 2.347 3.274
39 HG23 ILE 4 HG23 ILE 4 30.120 1.418 2.035
40 HD11 ILE 4 HD1 ILE 4 33.909 2.132 0.921
41 HD12 ILE 4 HD2 ILE 4 32.725 1.361 2.001
42 HD13 ILE 4 HD3 ILE 4 33.193 3.060 2.260
43 H VAL 5 HN VAL 5 30.029 6.058 1.415
44 HA VAL 5 HA VAL 5 27.312 6.932 1.748
45 HB VAL 5 HB VAL 5 27.352 5.217 3.581
46 HG11 VAL 5 HG11 VAL 5 28.833 5.324 5.407
47 HG12 VAL 5 HG12 VAL 5 29.257 7.024 5.109
48 HG13 VAL 5 HG13 VAL 5 29.899 5.745 4.048
49 HG21 VAL 5 HG21 VAL 5 26.442 6.724 5.306
50 HG22 VAL 5 HG22 VAL 5 25.922 7.255 3.690
51 HG23 VAL 5 HG23 VAL 5 27.232 8.117 4.531
52 H GLY 6 HN GLY 6 27.553 9.015 1.353
53 HA2 GLY 6 HA1 GLY 6 30.084 10.376 2.022
54 HA3 GLY 6 HA2 GLY 6 28.708 11.047 1.125
55 H ASN 7 HN ASN 7 26.606 10.735 2.790
56 HA ASN 7 HA ASN 7 27.222 11.590 5.507
57 HB2 ASN 7 HB2 ASN 7 27.699 13.685 4.172
58 HB3 ASN 7 HB1 ASN 7 25.994 13.676 3.661
59 HD21 ASN 7 HD21 ASN 7 24.399 14.408 5.143
60 HD22 ASN 7 HD22 ASN 7 24.796 14.962 6.773
61 H LEU 8 HN LEU 8 25.201 10.666 2.922
62 HA LEU 8 HA LEU 8 23.149 9.700 4.705
63 HB2 LEU 8 HB2 LEU 8 22.665 12.230 4.575
64 HB3 LEU 8 HB1 LEU 8 22.254 11.951 2.870
65 HG LEU 8 HG LEU 8 20.694 10.024 3.845
66 HD11 LEU 8 HD11 LEU 8 21.405 10.135 6.183
67 HD12 LEU 8 HD12 LEU 8 19.729 10.711 6.071
68 HD13 LEU 8 HD13 LEU 8 21.058 11.879 6.246
69 HD21 LEU 8 HD21 LEU 8 18.843 11.684 4.093
70 HD22 LEU 8 HD22 LEU 8 19.851 12.007 2.662
71 HD23 LEU 8 HD23 LEU 8 20.047 12.994 4.130
72 H LEU 9 HN LEU 9 24.716 8.408 2.925
73 HA LEU 9 HA LEU 9 24.578 6.904 1.178
74 HB2 LEU 9 HB2 LEU 9 22.221 6.595 2.273
75 HB3 LEU 9 HB1 LEU 9 21.621 7.527 0.885
76 HG LEU 9 HG LEU 9 23.055 5.784 -0.541
77 HD11 LEU 9 HD11 LEU 9 24.131 4.622 1.329
78 HD12 LEU 9 HD12 LEU 9 23.000 3.510 0.529
79 HD13 LEU 9 HD13 LEU 9 22.550 4.277 2.068
80 HD21 LEU 9 HD21 LEU 9 20.591 6.017 -0.637
81 HD22 LEU 9 HD22 LEU 9 20.436 5.013 0.826
82 HD23 LEU 9 HD23 LEU 9 21.070 4.303 -0.678
83 H LYS 10 HN LYS 10 25.118 9.750 0.762
84 HA LYS 10 HA LYS 10 23.818 10.485 -1.765
85 HB2 LYS 10 HB2 LYS 10 26.184 11.626 -0.229
86 HB3 LYS 10 HB1 LYS 10 25.556 12.320 -1.744
87 HG2 LYS 10 HG2 LYS 10 23.419 12.794 -0.755
88 HG3 LYS 10 HG1 LYS 10 23.789 11.815 0.684
89 HD2 LYS 10 HD2 LYS 10 24.014 14.259 1.132
90 HD3 LYS 10 HD1 LYS 10 25.554 13.394 1.344
91 HE2 LYS 10 HE2 LYS 10 26.445 14.235 -0.687
92 HE3 LYS 10 HE1 LYS 10 24.841 14.692 -1.312
93 HZ1 LYS 10 HZ1 LYS 10 25.245 16.009 1.127
94 HZ2 LYS 10 HZ2 LYS 10 25.118 16.685 -0.426
95 HZ3 LYS 10 HZ3 LYS 10 26.639 16.241 0.188
96 H SER 11 HN SER 11 24.823 10.683 -3.803
97 HA SER 11 HA SER 11 26.028 9.758 -5.560
98 HB2 SER 11 HB2 SER 11 28.293 9.928 -3.535
99 HB3 SER 11 HB1 SER 11 28.470 9.801 -5.299
100 HG SER 11 HG SER 11 26.806 11.775 -4.891
101 H LEU 12 HN LEU 12 25.006 7.748 -5.700
102 HA LEU 12 HA LEU 12 25.912 5.495 -4.072
103 HB2 LEU 12 HB2 LEU 12 24.377 5.323 -6.688
104 HB3 LEU 12 HB1 LEU 12 24.342 4.203 -5.305
105 HG LEU 12 HG LEU 12 23.300 7.073 -5.325
106 HD11 LEU 12 HD11 LEU 12 21.097 5.956 -5.019
107 HD12 LEU 12 HD12 LEU 12 21.892 4.369 -5.163
108 HD13 LEU 12 HD13 LEU 12 21.869 5.484 -6.551
109 HD21 LEU 12 HD21 LEU 12 23.547 4.964 -3.137
110 HD22 LEU 12 HD22 LEU 12 22.367 6.294 -3.037
111 HD23 LEU 12 HD23 LEU 12 24.106 6.653 -3.109
112 H LEU 13 HN LEU 13 26.220 6.392 -7.539
113 HA LEU 13 HA LEU 13 28.944 5.379 -7.634
114 HB2 LEU 13 HB2 LEU 13 28.229 3.651 -9.520
115 HB3 LEU 13 HB1 LEU 13 28.161 3.180 -7.807
116 HG LEU 13 HG LEU 13 25.766 3.664 -7.712
117 HD11 LEU 13 HD11 LEU 13 25.487 5.537 -9.171
118 HD12 LEU 13 HD12 LEU 13 24.611 4.208 -9.963
119 HD13 LEU 13 HD13 LEU 13 26.225 4.680 -10.546
120 HD21 LEU 13 HD21 LEU 13 26.467 2.060 -10.212
121 HD22 LEU 13 HD22 LEU 13 24.970 1.922 -9.260
122 HD23 LEU 13 HD23 LEU 13 26.527 1.438 -8.546
Start of MODEL 8
1 H1 LEU 1 HT1 LEU 1 29.344 8.847 -5.560
2 H2 LEU 1 HT2 LEU 1 29.253 10.473 -5.076
3 H3 LEU 1 HT3 LEU 1 27.833 9.594 -5.383
4 HA LEU 1 HA LEU 1 28.893 10.006 -2.985
5 HB2 LEU 1 HB2 LEU 1 27.279 8.433 -2.198
6 HB3 LEU 1 HB1 LEU 1 26.601 9.149 -3.674
7 HG LEU 1 HG LEU 1 27.928 6.411 -3.399
8 HD11 LEU 1 HD11 LEU 1 25.126 7.188 -4.299
9 HD12 LEU 1 HD12 LEU 1 25.533 6.734 -2.626
10 HD13 LEU 1 HD13 LEU 1 25.736 5.555 -3.946
11 HD21 LEU 1 HD21 LEU 1 28.620 7.186 -5.552
12 HD22 LEU 1 HD22 LEU 1 27.073 8.014 -5.846
13 HD23 LEU 1 HD23 LEU 1 27.154 6.237 -5.876
14 H LEU 2 HN LEU 2 29.540 8.360 -1.306
15 HA LEU 2 HA LEU 2 31.978 6.987 -2.298
16 HB2 LEU 2 HB2 LEU 2 30.847 7.759 0.406
17 HB3 LEU 2 HB1 LEU 2 32.147 6.551 0.312
18 HG LEU 2 HG LEU 2 33.560 8.161 -0.931
19 HD11 LEU 2 HD11 LEU 2 31.110 9.942 -0.606
20 HD12 LEU 2 HD12 LEU 2 31.943 9.486 -2.112
21 HD13 LEU 2 HD13 LEU 2 32.729 10.591 -0.962
22 HD21 LEU 2 HD21 LEU 2 33.543 8.074 1.593
23 HD22 LEU 2 HD22 LEU 2 32.384 9.426 1.584
24 HD23 LEU 2 HD23 LEU 2 34.026 9.656 0.936
25 HA PRO 3 HA PRO 3 30.209 2.930 -2.361
26 HB2 PRO 3 HB2 PRO 3 32.276 1.373 -1.307
27 HB3 PRO 3 HB1 PRO 3 32.240 1.997 -2.987
28 HG2 PRO 3 HG2 PRO 3 33.662 3.103 -0.577
29 HG3 PRO 3 HG1 PRO 3 34.236 2.945 -2.266
30 HD2 PRO 3 HD2 PRO 3 33.356 5.324 -1.286
31 HD3 PRO 3 HD1 PRO 3 33.050 4.843 -2.987
32 H ILE 4 HN ILE 4 31.588 4.218 0.606
33 HA ILE 4 HA ILE 4 30.075 2.270 2.293
34 HB ILE 4 HB ILE 4 31.780 4.622 3.225
35 HG12 ILE 4 HG12 ILE 4 32.610 1.735 2.663
36 HG13 ILE 4 HG11 ILE 4 33.117 3.161 1.730
37 HG21 ILE 4 HG21 ILE 4 31.178 1.965 4.592
38 HG22 ILE 4 HG22 ILE 4 30.147 3.401 4.799
39 HG23 ILE 4 HG23 ILE 4 31.847 3.446 5.316
40 HD11 ILE 4 HD1 ILE 4 33.993 4.088 4.004
41 HD12 ILE 4 HD2 ILE 4 34.921 2.786 3.223
42 HD13 ILE 4 HD3 ILE 4 33.836 2.412 4.582
43 H VAL 5 HN VAL 5 30.570 5.826 2.456
44 HA VAL 5 HA VAL 5 27.783 6.458 2.137
45 HB VAL 5 HB VAL 5 27.553 5.363 4.347
46 HG11 VAL 5 HG11 VAL 5 29.983 5.941 5.010
47 HG12 VAL 5 HG12 VAL 5 28.745 6.070 6.281
48 HG13 VAL 5 HG13 VAL 5 29.354 7.536 5.482
49 HG21 VAL 5 HG21 VAL 5 27.355 8.401 4.593
50 HG22 VAL 5 HG22 VAL 5 26.393 7.186 5.467
51 HG23 VAL 5 HG23 VAL 5 26.186 7.390 3.712
52 H GLY 6 HN GLY 6 27.723 8.486 1.446
53 HA2 GLY 6 HA1 GLY 6 30.113 10.173 1.738
54 HA3 GLY 6 HA2 GLY 6 28.641 10.546 0.818
55 H ASN 7 HN ASN 7 26.616 10.588 2.456
56 HA ASN 7 HA ASN 7 27.277 11.943 4.999
57 HB2 ASN 7 HB2 ASN 7 27.495 13.786 3.342
58 HB3 ASN 7 HB1 ASN 7 25.844 13.448 2.768
59 HD21 ASN 7 HD21 ASN 7 24.293 14.773 3.693
60 HD22 ASN 7 HD22 ASN 7 24.407 15.465 5.314
61 H LEU 8 HN LEU 8 25.119 10.638 2.617
62 HA LEU 8 HA LEU 8 23.351 9.519 4.582
63 HB2 LEU 8 HB2 LEU 8 22.642 11.983 4.626
64 HB3 LEU 8 HB1 LEU 8 22.130 11.771 2.939
65 HG LEU 8 HG LEU 8 20.762 9.707 3.864
66 HD11 LEU 8 HD11 LEU 8 19.945 10.166 6.226
67 HD12 LEU 8 HD12 LEU 8 21.279 11.328 6.402
68 HD13 LEU 8 HD13 LEU 8 21.627 9.604 6.130
69 HD21 LEU 8 HD21 LEU 8 19.746 11.772 2.956
70 HD22 LEU 8 HD22 LEU 8 19.962 12.578 4.528
71 HD23 LEU 8 HD23 LEU 8 18.846 11.199 4.380
72 H LEU 9 HN LEU 9 24.716 8.267 2.732
73 HA LEU 9 HA LEU 9 24.531 6.838 0.919
74 HB2 LEU 9 HB2 LEU 9 21.539 7.370 0.938
75 HB3 LEU 9 HB1 LEU 9 22.399 5.911 0.393
76 HG LEU 9 HG LEU 9 22.174 6.934 3.259
77 HD11 LEU 9 HD11 LEU 9 21.216 4.337 1.983
78 HD12 LEU 9 HD12 LEU 9 20.178 5.762 2.235
79 HD13 LEU 9 HD13 LEU 9 20.880 4.912 3.633
80 HD21 LEU 9 HD21 LEU 9 23.347 4.664 3.723
81 HD22 LEU 9 HD22 LEU 9 24.362 5.985 3.103
82 HD23 LEU 9 HD23 LEU 9 23.814 4.694 2.005
83 H LYS 10 HN LYS 10 24.702 9.845 0.699
84 HA LYS 10 HA LYS 10 24.383 9.936 -2.239
85 HB2 LYS 10 HB2 LYS 10 22.824 11.794 -0.391
86 HB3 LYS 10 HB1 LYS 10 23.096 12.105 -2.122
87 HG2 LYS 10 HG2 LYS 10 22.061 9.773 -2.543
88 HG3 LYS 10 HG1 LYS 10 21.533 9.826 -0.844
89 HD2 LYS 10 HD2 LYS 10 20.281 11.889 -1.253
90 HD3 LYS 10 HD1 LYS 10 20.877 11.954 -2.928
91 HE2 LYS 10 HE2 LYS 10 18.570 11.002 -2.779
92 HE3 LYS 10 HE1 LYS 10 19.740 9.842 -3.451
93 HZ1 LYS 10 HZ1 LYS 10 19.647 9.678 -0.611
94 HZ2 LYS 10 HZ2 LYS 10 19.370 8.465 -1.768
95 HZ3 LYS 10 HZ3 LYS 10 18.097 9.470 -1.265
96 H SER 11 HN SER 11 25.407 11.820 -3.185
97 HA SER 11 HA SER 11 27.819 12.540 -1.692
98 HB2 SER 11 HB2 SER 11 28.463 13.707 -3.724
99 HB3 SER 11 HB1 SER 11 27.768 12.131 -4.163
100 HG SER 11 HG SER 11 26.638 13.445 -5.425
101 H LEU 12 HN LEU 12 24.875 13.507 -1.058
102 HA LEU 12 HA LEU 12 25.053 16.395 -1.303
103 HB2 LEU 12 HB2 LEU 12 22.924 15.003 -1.087
104 HB3 LEU 12 HB1 LEU 12 23.337 14.798 0.628
105 HG LEU 12 HG LEU 12 23.527 17.443 0.638
106 HD11 LEU 12 HD11 LEU 12 21.807 16.918 -1.831
107 HD12 LEU 12 HD12 LEU 12 23.310 17.867 -1.751
108 HD13 LEU 12 HD13 LEU 12 21.842 18.462 -0.952
109 HD21 LEU 12 HD21 LEU 12 21.094 17.610 1.139
110 HD22 LEU 12 HD22 LEU 12 21.825 16.170 1.886
111 HD23 LEU 12 HD23 LEU 12 20.844 16.006 0.410
112 H LEU 13 HN LEU 13 27.161 16.835 -0.438
113 HA LEU 13 HA LEU 13 27.905 16.143 2.248
114 HB2 LEU 13 HB2 LEU 13 28.757 18.518 0.545
115 HB3 LEU 13 HB1 LEU 13 29.597 17.936 1.998
116 HG LEU 13 HG LEU 13 29.075 16.072 -0.357
117 HD11 LEU 13 HD11 LEU 13 31.454 17.944 0.025
118 HD12 LEU 13 HD12 LEU 13 30.248 18.025 -1.282
119 HD13 LEU 13 HD13 LEU 13 31.359 16.637 -1.180
120 HD21 LEU 13 HD21 LEU 13 29.827 14.962 1.673
121 HD22 LEU 13 HD22 LEU 13 31.114 16.165 1.920
122 HD23 LEU 13 HD23 LEU 13 31.207 15.026 0.558
Start of MODEL 9
1 H1 LEU 1 HT1 LEU 1 32.175 12.347 0.844
2 H2 LEU 1 HT2 LEU 1 30.940 11.455 1.596
3 H3 LEU 1 HT3 LEU 1 30.855 13.152 1.541
4 HA LEU 1 HA LEU 1 29.365 12.197 -0.043
5 HB2 LEU 1 HB2 LEU 1 31.739 13.339 -1.553
6 HB3 LEU 1 HB1 LEU 1 30.004 13.547 -1.888
7 HG LEU 1 HG LEU 1 31.531 14.651 0.512
8 HD11 LEU 1 HD11 LEU 1 30.154 16.043 -1.827
9 HD12 LEU 1 HD12 LEU 1 31.912 15.815 -1.668
10 HD13 LEU 1 HD13 LEU 1 31.036 16.833 -0.500
11 HD21 LEU 1 HD21 LEU 1 29.327 14.136 1.295
12 HD22 LEU 1 HD22 LEU 1 28.577 14.649 -0.236
13 HD23 LEU 1 HD23 LEU 1 29.271 15.861 0.868
14 H LEU 2 HN LEU 2 30.872 9.903 0.749
15 HA LEU 2 HA LEU 2 32.008 8.769 -1.739
16 HB2 LEU 2 HB2 LEU 2 31.677 7.804 1.120
17 HB3 LEU 2 HB1 LEU 2 32.157 6.682 -0.174
18 HG LEU 2 HG LEU 2 34.110 8.058 -0.704
19 HD11 LEU 2 HD11 LEU 2 34.619 10.004 0.931
20 HD12 LEU 2 HD12 LEU 2 32.895 9.932 1.364
21 HD13 LEU 2 HD13 LEU 2 33.380 10.294 -0.310
22 HD21 LEU 2 HD21 LEU 2 34.187 6.368 1.182
23 HD22 LEU 2 HD22 LEU 2 33.909 7.708 2.320
24 HD23 LEU 2 HD23 LEU 2 35.388 7.674 1.330
25 HA PRO 3 HA PRO 3 28.172 6.843 -2.934
26 HB2 PRO 3 HB2 PRO 3 29.008 4.810 -4.530
27 HB3 PRO 3 HB1 PRO 3 29.270 6.525 -4.988
28 HG2 PRO 3 HG2 PRO 3 31.193 4.589 -3.701
29 HG3 PRO 3 HG1 PRO 3 31.457 5.698 -5.086
30 HD2 PRO 3 HD2 PRO 3 32.230 6.329 -2.516
31 HD3 PRO 3 HD1 PRO 3 31.726 7.568 -3.713
32 H ILE 4 HN ILE 4 29.344 6.057 -0.315
33 HA ILE 4 HA ILE 4 27.976 3.409 -0.082
34 HB ILE 4 HB ILE 4 30.691 3.862 1.227
35 HG12 ILE 4 HG12 ILE 4 30.046 2.503 -1.431
36 HG13 ILE 4 HG11 ILE 4 31.048 3.955 -1.198
37 HG21 ILE 4 HG21 ILE 4 30.590 1.526 1.704
38 HG22 ILE 4 HG22 ILE 4 29.271 1.258 0.538
39 HG23 ILE 4 HG23 ILE 4 28.955 2.128 2.058
40 HD11 ILE 4 HD1 ILE 4 32.516 2.480 0.347
41 HD12 ILE 4 HD2 ILE 4 32.613 2.174 -1.403
42 HD13 ILE 4 HD3 ILE 4 31.652 1.096 -0.365
43 H VAL 5 HN VAL 5 29.728 6.036 1.641
44 HA VAL 5 HA VAL 5 27.437 6.308 3.493
45 HB VAL 5 HB VAL 5 28.940 6.140 5.527
46 HG11 VAL 5 HG11 VAL 5 27.382 4.288 4.702
47 HG12 VAL 5 HG12 VAL 5 28.738 3.750 5.718
48 HG13 VAL 5 HG13 VAL 5 28.810 3.535 3.954
49 HG21 VAL 5 HG21 VAL 5 30.816 4.906 3.460
50 HG22 VAL 5 HG22 VAL 5 31.033 4.773 5.222
51 HG23 VAL 5 HG23 VAL 5 31.114 6.367 4.432
52 H GLY 6 HN GLY 6 28.244 8.096 1.596
53 HA2 GLY 6 HA1 GLY 6 30.152 10.011 2.725
54 HA3 GLY 6 HA2 GLY 6 29.138 10.232 1.283
55 H ASN 7 HN ASN 7 27.329 11.431 1.396
56 HA ASN 7 HA ASN 7 26.705 12.665 4.051
57 HB2 ASN 7 HB2 ASN 7 27.056 14.094 1.994
58 HB3 ASN 7 HB1 ASN 7 25.599 13.348 1.297
59 HD21 ASN 7 HD21 ASN 7 24.964 15.823 1.420
60 HD22 ASN 7 HD22 ASN 7 24.160 16.315 2.915
61 H LEU 8 HN LEU 8 26.069 10.070 4.074
62 HA LEU 8 HA LEU 8 24.312 8.643 4.541
63 HB2 LEU 8 HB2 LEU 8 22.380 10.957 4.134
64 HB3 LEU 8 HB1 LEU 8 22.160 9.496 5.119
65 HG LEU 8 HG LEU 8 24.088 11.796 5.661
66 HD11 LEU 8 HD11 LEU 8 22.739 12.049 7.707
67 HD12 LEU 8 HD12 LEU 8 21.727 10.668 7.226
68 HD13 LEU 8 HD13 LEU 8 21.704 12.165 6.265
69 HD21 LEU 8 HD21 LEU 8 23.808 9.039 6.928
70 HD22 LEU 8 HD22 LEU 8 24.509 10.415 7.816
71 HD23 LEU 8 HD23 LEU 8 25.284 9.832 6.325
72 H LEU 9 HN LEU 9 25.067 7.825 2.450
73 HA LEU 9 HA LEU 9 24.576 6.918 0.381
74 HB2 LEU 9 HB2 LEU 9 21.703 7.849 0.728
75 HB3 LEU 9 HB1 LEU 9 22.313 6.472 -0.215
76 HG LEU 9 HG LEU 9 22.305 6.743 2.823
77 HD11 LEU 9 HD11 LEU 9 20.954 4.731 0.974
78 HD12 LEU 9 HD12 LEU 9 20.142 6.155 1.670
79 HD13 LEU 9 HD13 LEU 9 20.754 4.868 2.736
80 HD21 LEU 9 HD21 LEU 9 23.152 4.299 2.638
81 HD22 LEU 9 HD22 LEU 9 24.334 5.584 2.305
82 HD23 LEU 9 HD23 LEU 9 23.579 4.698 0.957
83 H LYS 10 HN LYS 10 25.210 9.832 0.895
84 HA LYS 10 HA LYS 10 25.512 11.717 -0.408
85 HB2 LYS 10 HB2 LYS 10 26.223 9.848 -2.045
86 HB3 LYS 10 HB1 LYS 10 24.641 10.079 -2.816
87 HG2 LYS 10 HG2 LYS 10 25.155 12.385 -3.360
88 HG3 LYS 10 HG1 LYS 10 26.615 12.360 -2.346
89 HD2 LYS 10 HD2 LYS 10 27.258 12.131 -4.695
90 HD3 LYS 10 HD1 LYS 10 27.593 10.611 -3.836
91 HE2 LYS 10 HE2 LYS 10 25.740 9.504 -4.822
92 HE3 LYS 10 HE1 LYS 10 24.960 11.035 -5.297
93 HZ1 LYS 10 HZ1 LYS 10 27.626 10.504 -6.372
94 HZ2 LYS 10 HZ2 LYS 10 26.285 11.250 -7.100
95 HZ3 LYS 10 HZ3 LYS 10 26.358 9.556 -6.980
96 H SER 11 HN SER 11 23.604 11.501 -3.088
97 HA SER 11 HA SER 11 21.677 12.666 -3.659
98 HB2 SER 11 HB2 SER 11 20.645 11.347 -1.118
99 HB3 SER 11 HB1 SER 11 19.653 11.992 -2.445
100 HG SER 11 HG SER 11 20.391 10.404 -3.760
101 H LEU 12 HN LEU 12 22.717 14.728 -3.257
102 HA LEU 12 HA LEU 12 22.607 16.086 -0.758
103 HB2 LEU 12 HB2 LEU 12 22.696 17.011 -3.643
104 HB3 LEU 12 HB1 LEU 12 22.610 18.189 -2.319
105 HG LEU 12 HG LEU 12 24.954 17.628 -3.168
106 HD11 LEU 12 HD11 LEU 12 25.946 17.856 -1.041
107 HD12 LEU 12 HD12 LEU 12 24.712 16.872 -0.232
108 HD13 LEU 12 HD13 LEU 12 24.317 18.514 -0.786
109 HD21 LEU 12 HD21 LEU 12 24.469 15.156 -3.424
110 HD22 LEU 12 HD22 LEU 12 24.525 15.014 -1.651
111 HD23 LEU 12 HD23 LEU 12 25.973 15.525 -2.549
112 H LEU 13 HN LEU 13 20.082 15.010 -2.705
113 HA LEU 13 HA LEU 13 18.235 17.209 -2.334
114 HB2 LEU 13 HB2 LEU 13 17.840 15.646 -4.124
115 HB3 LEU 13 HB1 LEU 13 17.867 14.264 -3.007
116 HG LEU 13 HG LEU 13 15.777 14.950 -1.986
117 HD11 LEU 13 HD11 LEU 13 16.193 17.495 -3.601
118 HD12 LEU 13 HD12 LEU 13 15.934 17.327 -1.848
119 HD13 LEU 13 HD13 LEU 13 14.591 17.035 -2.976
120 HD21 LEU 13 HD21 LEU 13 15.648 13.748 -4.165
121 HD22 LEU 13 HD22 LEU 13 15.590 15.315 -5.009
122 HD23 LEU 13 HD23 LEU 13 14.262 14.838 -3.924
Start of MODEL 10
1 H1 LEU 1 HT1 LEU 1 28.645 7.868 -5.244
2 H2 LEU 1 HT2 LEU 1 26.991 7.486 -5.332
3 H3 LEU 1 HT3 LEU 1 28.160 6.269 -5.529
4 HA LEU 1 HA LEU 1 27.799 7.848 -3.071
5 HB2 LEU 1 HB2 LEU 1 26.843 5.650 -2.191
6 HB3 LEU 1 HB1 LEU 1 25.794 6.580 -3.281
7 HG LEU 1 HG LEU 1 27.621 4.537 -4.572
8 HD11 LEU 1 HD11 LEU 1 26.772 3.285 -2.629
9 HD12 LEU 1 HD12 LEU 1 25.997 2.712 -4.125
10 HD13 LEU 1 HD13 LEU 1 25.108 3.782 -3.015
11 HD21 LEU 1 HD21 LEU 1 25.631 4.211 -6.015
12 HD22 LEU 1 HD22 LEU 1 26.056 5.934 -5.919
13 HD23 LEU 1 HD23 LEU 1 24.689 5.303 -4.975
14 H LEU 2 HN LEU 2 29.254 7.430 -1.495
15 HA LEU 2 HA LEU 2 31.682 6.000 -2.291
16 HB2 LEU 2 HB2 LEU 2 30.768 7.558 0.145
17 HB3 LEU 2 HB1 LEU 2 32.270 6.611 0.206
18 HG LEU 2 HG LEU 2 33.188 7.852 -1.688
19 HD11 LEU 2 HD11 LEU 2 30.419 9.119 -1.749
20 HD12 LEU 2 HD12 LEU 2 31.262 8.258 -3.059
21 HD13 LEU 2 HD13 LEU 2 31.828 9.863 -2.541
22 HD21 LEU 2 HD21 LEU 2 33.450 10.012 -0.629
23 HD22 LEU 2 HD22 LEU 2 33.283 8.808 0.672
24 HD23 LEU 2 HD23 LEU 2 31.901 9.841 0.230
25 HA PRO 3 HA PRO 3 30.625 2.092 -0.462
26 HB2 PRO 3 HB2 PRO 3 33.074 1.042 0.160
27 HB3 PRO 3 HB1 PRO 3 32.539 1.276 -1.536
28 HG2 PRO 3 HG2 PRO 3 34.319 3.025 0.153
29 HG3 PRO 3 HG1 PRO 3 34.536 2.487 -1.543
30 HD2 PRO 3 HD2 PRO 3 33.533 4.965 -0.909
31 HD3 PRO 3 HD1 PRO 3 33.032 4.071 -2.382
32 H ILE 4 HN ILE 4 31.022 4.651 1.275
33 HA ILE 4 HA ILE 4 30.768 3.231 3.857
34 HB ILE 4 HB ILE 4 32.461 4.721 4.974
35 HG12 ILE 4 HG12 ILE 4 33.204 5.357 2.079
36 HG13 ILE 4 HG11 ILE 4 32.532 6.500 3.265
37 HG21 ILE 4 HG21 ILE 4 32.926 2.328 4.138
38 HG22 ILE 4 HG22 ILE 4 34.349 3.357 4.412
39 HG23 ILE 4 HG23 ILE 4 33.756 3.083 2.755
40 HD11 ILE 4 HD1 ILE 4 34.867 6.919 3.329
41 HD12 ILE 4 HD2 ILE 4 35.270 5.189 3.242
42 HD13 ILE 4 HD3 ILE 4 34.588 5.872 4.739
43 H VAL 5 HN VAL 5 29.182 4.916 1.955
44 HA VAL 5 HA VAL 5 27.614 6.612 2.113
45 HB VAL 5 HB VAL 5 28.123 6.618 5.118
46 HG11 VAL 5 HG11 VAL 5 25.591 7.079 3.480
47 HG12 VAL 5 HG12 VAL 5 26.638 8.385 4.084
48 HG13 VAL 5 HG13 VAL 5 25.795 7.319 5.231
49 HG21 VAL 5 HG21 VAL 5 26.278 4.871 5.152
50 HG22 VAL 5 HG22 VAL 5 27.827 4.297 4.488
51 HG23 VAL 5 HG23 VAL 5 26.487 4.711 3.391
52 H GLY 6 HN GLY 6 28.050 8.563 1.344
53 HA2 GLY 6 HA1 GLY 6 30.412 10.033 2.194
54 HA3 GLY 6 HA2 GLY 6 29.175 10.577 1.043
55 H ASN 7 HN ASN 7 26.877 10.505 2.532
56 HA ASN 7 HA ASN 7 27.358 12.032 5.039
57 HB2 ASN 7 HB2 ASN 7 27.414 13.726 3.175
58 HB3 ASN 7 HB1 ASN 7 25.761 13.232 2.740
59 HD21 ASN 7 HD21 ASN 7 27.739 14.928 5.163
60 HD22 ASN 7 HD22 ASN 7 26.371 15.590 6.063
61 H LEU 8 HN LEU 8 25.150 10.705 2.611
62 HA LEU 8 HA LEU 8 23.591 9.326 4.601
63 HB2 LEU 8 HB2 LEU 8 22.859 11.939 4.570
64 HB3 LEU 8 HB1 LEU 8 21.871 11.385 3.202
65 HG LEU 8 HG LEU 8 21.868 10.137 5.995
66 HD11 LEU 8 HD11 LEU 8 19.639 11.179 6.202
67 HD12 LEU 8 HD12 LEU 8 19.830 11.925 4.597
68 HD13 LEU 8 HD13 LEU 8 20.890 12.418 5.940
69 HD21 LEU 8 HD21 LEU 8 20.172 9.656 3.501
70 HD22 LEU 8 HD22 LEU 8 19.806 8.994 5.111
71 HD23 LEU 8 HD23 LEU 8 21.291 8.503 4.265
72 H LEU 9 HN LEU 9 24.992 8.473 2.457
73 HA LEU 9 HA LEU 9 24.712 7.008 0.688
74 HB2 LEU 9 HB2 LEU 9 22.294 6.781 1.947
75 HB3 LEU 9 HB1 LEU 9 21.743 7.454 0.401
76 HG LEU 9 HG LEU 9 23.522 4.983 0.698
77 HD11 LEU 9 HD11 LEU 9 20.540 5.302 0.153
78 HD12 LEU 9 HD12 LEU 9 21.296 4.504 1.553
79 HD13 LEU 9 HD13 LEU 9 21.439 3.783 -0.068
80 HD21 LEU 9 HD21 LEU 9 22.124 6.279 -1.686
81 HD22 LEU 9 HD22 LEU 9 22.893 4.676 -1.723
82 HD23 LEU 9 HD23 LEU 9 23.879 6.129 -1.434
83 H LYS 10 HN LYS 10 25.202 9.859 0.514
84 HA LYS 10 HA LYS 10 25.259 11.563 -1.059
85 HB2 LYS 10 HB2 LYS 10 26.349 9.501 -2.204
86 HB3 LYS 10 HB1 LYS 10 24.858 9.405 -3.163
87 HG2 LYS 10 HG2 LYS 10 25.213 11.818 -3.835
88 HG3 LYS 10 HG1 LYS 10 26.773 11.777 -2.981
89 HD2 LYS 10 HD2 LYS 10 27.436 9.816 -4.422
90 HD3 LYS 10 HD1 LYS 10 25.936 10.053 -5.351
91 HE2 LYS 10 HE2 LYS 10 28.263 11.992 -5.048
92 HE3 LYS 10 HE1 LYS 10 27.674 11.224 -6.540
93 HZ1 LYS 10 HZ1 LYS 10 25.516 12.399 -6.107
94 HZ2 LYS 10 HZ2 LYS 10 26.821 13.412 -6.505
95 HZ3 LYS 10 HZ3 LYS 10 26.304 13.282 -4.891
96 H SER 11 HN SER 11 23.755 10.682 -3.803
97 HA SER 11 HA SER 11 21.759 11.376 -4.761
98 HB2 SER 11 HB2 SER 11 20.522 10.531 -2.115
99 HB3 SER 11 HB1 SER 11 19.729 10.607 -3.704
100 HG SER 11 HG SER 11 20.335 8.512 -3.443
101 H LEU 12 HN LEU 12 22.690 13.590 -4.546
102 HA LEU 12 HA LEU 12 21.880 15.315 -2.391
103 HB2 LEU 12 HB2 LEU 12 22.834 15.781 -5.235
104 HB3 LEU 12 HB1 LEU 12 22.357 17.139 -4.190
105 HG LEU 12 HG LEU 12 24.025 16.500 -2.519
106 HD11 LEU 12 HD11 LEU 12 24.432 14.114 -4.366
107 HD12 LEU 12 HD12 LEU 12 24.080 14.117 -2.621
108 HD13 LEU 12 HD13 LEU 12 25.679 14.626 -3.203
109 HD21 LEU 12 HD21 LEU 12 24.732 17.933 -4.424
110 HD22 LEU 12 HD22 LEU 12 25.196 16.478 -5.339
111 HD23 LEU 12 HD23 LEU 12 26.069 16.910 -3.850
112 H LEU 13 HN LEU 13 20.602 14.894 -5.727
113 HA LEU 13 HA LEU 13 18.330 16.641 -5.218
114 HB2 LEU 13 HB2 LEU 13 19.073 14.687 -7.422
115 HB3 LEU 13 HB1 LEU 13 17.499 15.516 -7.408
116 HG LEU 13 HG LEU 13 18.583 17.699 -7.442
117 HD11 LEU 13 HD11 LEU 13 21.164 17.707 -7.747
118 HD12 LEU 13 HD12 LEU 13 21.120 16.055 -7.086
119 HD13 LEU 13 HD13 LEU 13 20.537 17.424 -6.107
120 HD21 LEU 13 HD21 LEU 13 19.711 17.556 -9.644
121 HD22 LEU 13 HD22 LEU 13 18.258 16.529 -9.606
122 HD23 LEU 13 HD23 LEU 13 19.872 15.795 -9.450
Start of MODEL 11
1 H1 LEU 1 HT1 LEU 1 24.678 7.440 -1.556
2 H2 LEU 1 HT2 LEU 1 25.903 8.490 -2.087
3 H3 LEU 1 HT3 LEU 1 26.284 7.171 -1.086
4 HA LEU 1 HA LEU 1 25.191 5.822 -2.996
5 HB2 LEU 1 HB2 LEU 1 26.429 8.143 -4.514
6 HB3 LEU 1 HB1 LEU 1 25.455 6.796 -5.147
7 HG LEU 1 HG LEU 1 24.471 9.034 -3.320
8 HD11 LEU 1 HD11 LEU 1 23.154 9.716 -5.272
9 HD12 LEU 1 HD12 LEU 1 23.783 8.340 -6.211
10 HD13 LEU 1 HD13 LEU 1 24.876 9.653 -5.713
11 HD21 LEU 1 HD21 LEU 1 23.221 7.080 -2.726
12 HD22 LEU 1 HD22 LEU 1 23.145 6.517 -4.413
13 HD23 LEU 1 HD23 LEU 1 22.198 7.936 -3.901
14 H LEU 2 HN LEU 2 27.870 7.513 -1.684
15 HA LEU 2 HA LEU 2 29.934 6.169 -3.239
16 HB2 LEU 2 HB2 LEU 2 30.286 7.375 -0.474
17 HB3 LEU 2 HB1 LEU 2 31.475 7.258 -1.792
18 HG LEU 2 HG LEU 2 28.964 8.989 -1.763
19 HD11 LEU 2 HD11 LEU 2 30.956 9.738 -0.390
20 HD12 LEU 2 HD12 LEU 2 30.515 10.852 -1.707
21 HD13 LEU 2 HD13 LEU 2 31.909 9.762 -1.892
22 HD21 LEU 2 HD21 LEU 2 29.253 8.279 -4.032
23 HD22 LEU 2 HD22 LEU 2 31.027 8.385 -3.923
24 HD23 LEU 2 HD23 LEU 2 30.043 9.869 -3.944
25 HA PRO 3 HA PRO 3 29.926 2.354 -0.930
26 HB2 PRO 3 HB2 PRO 3 32.405 1.356 -1.454
27 HB3 PRO 3 HB1 PRO 3 31.168 1.525 -2.741
28 HG2 PRO 3 HG2 PRO 3 33.466 3.357 -2.064
29 HG3 PRO 3 HG1 PRO 3 32.938 2.743 -3.664
30 HD2 PRO 3 HD2 PRO 3 32.235 5.238 -2.735
31 HD3 PRO 3 HD1 PRO 3 31.182 4.277 -3.825
32 H ILE 4 HN ILE 4 30.378 4.709 0.636
33 HA ILE 4 HA ILE 4 31.745 3.493 2.901
34 HB ILE 4 HB ILE 4 33.627 4.492 1.397
35 HG12 ILE 4 HG12 ILE 4 33.405 5.495 4.275
36 HG13 ILE 4 HG11 ILE 4 33.890 3.850 3.812
37 HG21 ILE 4 HG21 ILE 4 32.753 7.114 2.659
38 HG22 ILE 4 HG22 ILE 4 32.240 6.641 1.021
39 HG23 ILE 4 HG23 ILE 4 33.969 6.843 1.388
40 HD11 ILE 4 HD1 ILE 4 35.936 5.027 4.139
41 HD12 ILE 4 HD2 ILE 4 35.343 6.463 3.275
42 HD13 ILE 4 HD3 ILE 4 35.721 4.975 2.374
43 H VAL 5 HN VAL 5 29.257 4.984 1.755
44 HA VAL 5 HA VAL 5 27.630 6.388 2.620
45 HB VAL 5 HB VAL 5 29.083 6.128 5.285
46 HG11 VAL 5 HG11 VAL 5 27.287 7.793 5.248
47 HG12 VAL 5 HG12 VAL 5 26.742 6.361 6.154
48 HG13 VAL 5 HG13 VAL 5 26.181 6.626 4.486
49 HG21 VAL 5 HG21 VAL 5 28.759 3.886 4.331
50 HG22 VAL 5 HG22 VAL 5 27.065 4.269 3.945
51 HG23 VAL 5 HG23 VAL 5 27.586 4.148 5.642
52 H GLY 6 HN GLY 6 28.105 8.262 1.521
53 HA2 GLY 6 HA1 GLY 6 30.178 10.089 2.555
54 HA3 GLY 6 HA2 GLY 6 29.126 10.342 1.148
55 H ASN 7 HN ASN 7 27.058 11.215 1.396
56 HA ASN 7 HA ASN 7 26.686 12.686 4.000
57 HB2 ASN 7 HB2 ASN 7 26.892 14.000 1.842
58 HB3 ASN 7 HB1 ASN 7 25.384 13.221 1.301
59 HD21 ASN 7 HD21 ASN 7 26.556 14.771 4.388
60 HD22 ASN 7 HD22 ASN 7 25.099 15.746 4.601
61 H LEU 8 HN LEU 8 26.078 9.932 3.807
62 HA LEU 8 HA LEU 8 24.366 8.555 4.529
63 HB2 LEU 8 HB2 LEU 8 23.493 10.827 5.594
64 HB3 LEU 8 HB1 LEU 8 22.300 10.765 4.281
65 HG LEU 8 HG LEU 8 21.965 8.241 5.108
66 HD11 LEU 8 HD11 LEU 8 23.044 9.646 7.599
67 HD12 LEU 8 HD12 LEU 8 23.792 8.260 6.773
68 HD13 LEU 8 HD13 LEU 8 22.222 8.069 7.585
69 HD21 LEU 8 HD21 LEU 8 20.184 9.025 6.651
70 HD22 LEU 8 HD22 LEU 8 20.224 10.002 5.162
71 HD23 LEU 8 HD23 LEU 8 20.916 10.647 6.670
72 H LEU 9 HN LEU 9 24.952 7.764 2.361
73 HA LEU 9 HA LEU 9 24.347 6.960 0.278
74 HB2 LEU 9 HB2 LEU 9 21.619 7.358 1.560
75 HB3 LEU 9 HB1 LEU 9 21.784 6.730 -0.094
76 HG LEU 9 HG LEU 9 23.114 4.848 0.688
77 HD11 LEU 9 HD11 LEU 9 24.440 5.755 2.453
78 HD12 LEU 9 HD12 LEU 9 23.371 4.583 3.254
79 HD13 LEU 9 HD13 LEU 9 23.011 6.324 3.350
80 HD21 LEU 9 HD21 LEU 9 20.656 4.632 0.828
81 HD22 LEU 9 HD22 LEU 9 20.679 5.319 2.470
82 HD23 LEU 9 HD23 LEU 9 21.436 3.739 2.155
83 H LYS 10 HN LYS 10 24.815 9.854 0.758
84 HA LYS 10 HA LYS 10 23.735 10.790 -1.857
85 HB2 LYS 10 HB2 LYS 10 23.237 12.226 0.784
86 HB3 LYS 10 HB1 LYS 10 23.022 12.969 -0.818
87 HG2 LYS 10 HG2 LYS 10 21.437 11.050 -1.379
88 HG3 LYS 10 HG1 LYS 10 21.521 10.583 0.337
89 HD2 LYS 10 HD2 LYS 10 20.748 12.870 0.973
90 HD3 LYS 10 HD1 LYS 10 20.595 13.276 -0.753
91 HE2 LYS 10 HE2 LYS 10 19.140 10.971 0.615
92 HE3 LYS 10 HE1 LYS 10 18.421 12.564 0.281
93 HZ1 LYS 10 HZ1 LYS 10 19.418 10.572 -1.686
94 HZ2 LYS 10 HZ2 LYS 10 19.046 12.177 -2.101
95 HZ3 LYS 10 HZ3 LYS 10 17.834 11.147 -1.502
96 H SER 11 HN SER 11 24.564 13.263 -2.038
97 HA SER 11 HA SER 11 27.132 13.764 -0.775
98 HB2 SER 11 HB2 SER 11 27.095 12.747 -3.641
99 HB3 SER 11 HB1 SER 11 28.472 13.595 -2.901
100 HG SER 11 HG SER 11 27.543 11.021 -2.535
101 H LEU 12 HN LEU 12 25.082 15.407 -0.733
102 HA LEU 12 HA LEU 12 24.555 17.098 -2.905
103 HB2 LEU 12 HB2 LEU 12 23.678 17.043 -0.394
104 HB3 LEU 12 HB1 LEU 12 24.922 18.284 -0.139
105 HG LEU 12 HG LEU 12 22.622 18.384 -2.146
106 HD11 LEU 12 HD11 LEU 12 22.098 18.820 0.283
107 HD12 LEU 12 HD12 LEU 12 21.816 20.226 -0.772
108 HD13 LEU 12 HD13 LEU 12 23.273 20.157 0.248
109 HD21 LEU 12 HD21 LEU 12 23.534 20.790 -2.456
110 HD22 LEU 12 HD22 LEU 12 24.451 19.476 -3.225
111 HD23 LEU 12 HD23 LEU 12 25.032 20.192 -1.702
112 H LEU 13 HN LEU 13 27.018 17.655 -0.337
113 HA LEU 13 HA LEU 13 28.238 19.919 -1.482
114 HB2 LEU 13 HB2 LEU 13 29.280 17.656 0.250
115 HB3 LEU 13 HB1 LEU 13 30.373 18.949 -0.298
116 HG LEU 13 HG LEU 13 28.918 20.649 0.728
117 HD11 LEU 13 HD11 LEU 13 26.724 19.709 0.512
118 HD12 LEU 13 HD12 LEU 13 27.042 19.772 2.261
119 HD13 LEU 13 HD13 LEU 13 27.190 18.229 1.385
120 HD21 LEU 13 HD21 LEU 13 29.450 18.362 2.675
121 HD22 LEU 13 HD22 LEU 13 29.351 20.095 3.067
122 HD23 LEU 13 HD23 LEU 13 30.698 19.481 2.078
Start of MODEL 12
1 H1 LEU 1 HT1 LEU 1 32.653 12.566 2.976
2 H2 LEU 1 HT2 LEU 1 32.641 11.300 4.108
3 H3 LEU 1 HT3 LEU 1 31.236 11.674 3.229
4 HA LEU 1 HA LEU 1 31.798 10.394 1.572
5 HB2 LEU 1 HB2 LEU 1 34.403 11.938 1.799
6 HB3 LEU 1 HB1 LEU 1 34.245 10.587 0.653
7 HG LEU 1 HG LEU 1 32.238 11.709 -0.344
8 HD11 LEU 1 HD11 LEU 1 31.400 13.059 1.447
9 HD12 LEU 1 HD12 LEU 1 32.025 14.213 0.247
10 HD13 LEU 1 HD13 LEU 1 32.979 13.839 1.702
11 HD21 LEU 1 HD21 LEU 1 34.496 12.029 -1.310
12 HD22 LEU 1 HD22 LEU 1 34.771 13.409 -0.220
13 HD23 LEU 1 HD23 LEU 1 33.519 13.506 -1.482
14 H LEU 2 HN LEU 2 31.468 8.895 3.515
15 HA LEU 2 HA LEU 2 33.855 7.637 4.616
16 HB2 LEU 2 HB2 LEU 2 30.900 7.387 4.836
17 HB3 LEU 2 HB1 LEU 2 31.745 5.844 5.042
18 HG LEU 2 HG LEU 2 33.221 6.988 6.772
19 HD11 LEU 2 HD11 LEU 2 32.522 9.141 7.661
20 HD12 LEU 2 HD12 LEU 2 31.107 9.179 6.582
21 HD13 LEU 2 HD13 LEU 2 32.747 9.322 5.906
22 HD21 LEU 2 HD21 LEU 2 31.479 6.957 8.527
23 HD22 LEU 2 HD22 LEU 2 31.258 5.600 7.396
24 HD23 LEU 2 HD23 LEU 2 30.212 7.037 7.280
25 HA PRO 3 HA PRO 3 35.270 4.515 1.868
26 HB2 PRO 3 HB2 PRO 3 33.768 2.567 3.645
27 HB3 PRO 3 HB1 PRO 3 35.388 2.391 2.891
28 HG2 PRO 3 HG2 PRO 3 35.128 3.147 5.453
29 HG3 PRO 3 HG1 PRO 3 36.397 3.844 4.398
30 HD2 PRO 3 HD2 PRO 3 33.934 5.145 5.469
31 HD3 PRO 3 HD1 PRO 3 35.428 5.900 4.830
32 H ILE 4 HN ILE 4 31.831 4.518 2.775
33 HA ILE 4 HA ILE 4 31.166 3.831 -0.057
34 HB ILE 4 HB ILE 4 31.115 1.674 1.221
35 HG12 ILE 4 HG12 ILE 4 28.357 2.702 0.401
36 HG13 ILE 4 HG11 ILE 4 29.612 2.165 -0.738
37 HG21 ILE 4 HG21 ILE 4 28.750 2.851 2.726
38 HG22 ILE 4 HG22 ILE 4 30.396 2.866 3.399
39 HG23 ILE 4 HG23 ILE 4 29.601 1.319 3.027
40 HD11 ILE 4 HD1 ILE 4 28.143 0.512 1.351
41 HD12 ILE 4 HD2 ILE 4 29.641 -0.054 0.572
42 HD13 ILE 4 HD3 ILE 4 28.193 0.267 -0.410
43 H VAL 5 HN VAL 5 29.933 4.758 3.196
44 HA VAL 5 HA VAL 5 27.493 5.887 2.079
45 HB VAL 5 HB VAL 5 28.678 6.693 4.766
46 HG11 VAL 5 HG11 VAL 5 26.527 7.720 3.866
47 HG12 VAL 5 HG12 VAL 5 26.360 6.880 5.423
48 HG13 VAL 5 HG13 VAL 5 25.813 6.093 3.924
49 HG21 VAL 5 HG21 VAL 5 28.919 4.258 4.630
50 HG22 VAL 5 HG22 VAL 5 27.242 4.103 4.055
51 HG23 VAL 5 HG23 VAL 5 27.567 4.666 5.711
52 H GLY 6 HN GLY 6 28.267 8.311 4.077
53 HA2 GLY 6 HA1 GLY 6 30.085 10.068 3.324
54 HA3 GLY 6 HA2 GLY 6 29.143 10.062 1.818
55 H ASN 7 HN ASN 7 27.430 11.355 1.641
56 HA ASN 7 HA ASN 7 26.658 12.947 4.055
57 HB2 ASN 7 HB2 ASN 7 27.230 14.042 1.830
58 HB3 ASN 7 HB1 ASN 7 25.760 13.288 1.165
59 HD21 ASN 7 HD21 ASN 7 23.777 14.334 1.532
60 HD22 ASN 7 HD22 ASN 7 23.590 15.709 2.625
61 H LEU 8 HN LEU 8 25.965 10.202 3.984
62 HA LEU 8 HA LEU 8 24.083 9.001 4.646
63 HB2 LEU 8 HB2 LEU 8 23.090 11.470 5.056
64 HB3 LEU 8 HB1 LEU 8 22.127 11.081 3.618
65 HG LEU 8 HG LEU 8 22.294 9.354 6.135
66 HD11 LEU 8 HD11 LEU 8 21.121 11.489 6.540
67 HD12 LEU 8 HD12 LEU 8 19.965 10.134 6.515
68 HD13 LEU 8 HD13 LEU 8 20.105 11.213 5.106
69 HD21 LEU 8 HD21 LEU 8 20.664 9.178 3.565
70 HD22 LEU 8 HD22 LEU 8 20.260 8.270 5.041
71 HD23 LEU 8 HD23 LEU 8 21.804 7.974 4.209
72 H LEU 9 HN LEU 9 25.318 8.203 2.598
73 HA LEU 9 HA LEU 9 25.162 7.106 0.565
74 HB2 LEU 9 HB2 LEU 9 22.144 7.327 0.905
75 HB3 LEU 9 HB1 LEU 9 23.029 6.159 -0.096
76 HG LEU 9 HG LEU 9 23.408 6.340 2.927
77 HD11 LEU 9 HD11 LEU 9 21.028 5.851 2.405
78 HD12 LEU 9 HD12 LEU 9 21.851 4.439 3.111
79 HD13 LEU 9 HD13 LEU 9 21.543 4.507 1.359
80 HD21 LEU 9 HD21 LEU 9 24.134 3.921 2.532
81 HD22 LEU 9 HD22 LEU 9 25.211 5.150 1.835
82 HD23 LEU 9 HD23 LEU 9 24.076 4.265 0.788
83 H LYS 10 HN LYS 10 25.241 10.036 0.768
84 HA LYS 10 HA LYS 10 25.103 11.858 -0.660
85 HB2 LYS 10 HB2 LYS 10 24.576 9.834 -2.865
86 HB3 LYS 10 HB1 LYS 10 25.299 11.452 -3.020
87 HG2 LYS 10 HG2 LYS 10 27.181 10.679 -1.522
88 HG3 LYS 10 HG1 LYS 10 26.493 9.039 -1.593
89 HD2 LYS 10 HD2 LYS 10 26.671 9.111 -4.091
90 HD3 LYS 10 HD1 LYS 10 27.467 10.699 -3.959
91 HE2 LYS 10 HE2 LYS 10 28.486 8.176 -2.587
92 HE3 LYS 10 HE1 LYS 10 29.070 8.747 -4.169
93 HZ1 LYS 10 HZ1 LYS 10 29.231 10.973 -2.665
94 HZ2 LYS 10 HZ2 LYS 10 30.521 9.900 -2.935
95 HZ3 LYS 10 HZ3 LYS 10 29.595 9.781 -1.514
96 H SER 11 HN SER 11 23.665 12.738 -2.658
97 HA SER 11 HA SER 11 20.891 11.872 -2.619
98 HB2 SER 11 HB2 SER 11 21.660 14.364 -1.056
99 HB3 SER 11 HB1 SER 11 20.007 14.003 -1.599
100 HG SER 11 HG SER 11 21.555 12.833 0.395
101 H LEU 12 HN LEU 12 23.052 14.705 -3.033
102 HA LEU 12 HA LEU 12 21.493 15.686 -5.321
103 HB2 LEU 12 HB2 LEU 12 24.103 16.489 -3.989
104 HB3 LEU 12 HB1 LEU 12 23.575 17.239 -5.514
105 HG LEU 12 HG LEU 12 21.463 17.948 -4.461
106 HD11 LEU 12 HD11 LEU 12 22.598 16.428 -2.081
107 HD12 LEU 12 HD12 LEU 12 20.996 16.267 -2.840
108 HD13 LEU 12 HD13 LEU 12 21.378 17.708 -1.874
109 HD21 LEU 12 HD21 LEU 12 23.932 18.656 -2.809
110 HD22 LEU 12 HD22 LEU 12 22.426 19.604 -2.879
111 HD23 LEU 12 HD23 LEU 12 23.440 19.434 -4.332
112 H LEU 13 HN LEU 13 22.563 12.926 -5.437
113 HA LEU 13 HA LEU 13 23.668 11.550 -6.945
114 HB2 LEU 13 HB2 LEU 13 22.985 13.971 -8.646
115 HB3 LEU 13 HB1 LEU 13 23.830 12.568 -9.341
116 HG LEU 13 HG LEU 13 22.001 11.083 -8.702
117 HD11 LEU 13 HD11 LEU 13 19.875 12.207 -7.739
118 HD12 LEU 13 HD12 LEU 13 20.935 13.572 -7.312
119 HD13 LEU 13 HD13 LEU 13 21.235 11.960 -6.619
120 HD21 LEU 13 HD21 LEU 13 20.254 11.971 -10.160
121 HD22 LEU 13 HD22 LEU 13 21.841 12.430 -10.825
122 HD23 LEU 13 HD23 LEU 13 20.865 13.629 -9.942
Start of MODEL 13
1 H1 LEU 1 HT1 LEU 1 33.643 12.802 0.287
2 H2 LEU 1 HT2 LEU 1 32.698 13.171 1.648
3 H3 LEU 1 HT3 LEU 1 32.471 14.023 0.197
4 HA LEU 1 HA LEU 1 31.000 11.975 1.006
5 HB2 LEU 1 HB2 LEU 1 30.059 12.000 -1.194
6 HB3 LEU 1 HB1 LEU 1 30.616 13.651 -0.855
7 HG LEU 1 HG LEU 1 32.044 11.558 -2.564
8 HD11 LEU 1 HD11 LEU 1 31.586 13.108 -4.390
9 HD12 LEU 1 HD12 LEU 1 30.872 14.284 -3.260
10 HD13 LEU 1 HD13 LEU 1 30.059 12.729 -3.559
11 HD21 LEU 1 HD21 LEU 1 33.562 13.625 -3.051
12 HD22 LEU 1 HD22 LEU 1 33.812 12.771 -1.516
13 HD23 LEU 1 HD23 LEU 1 32.900 14.298 -1.543
14 H LEU 2 HN LEU 2 30.588 9.821 0.166
15 HA LEU 2 HA LEU 2 33.009 8.415 -0.894
16 HB2 LEU 2 HB2 LEU 2 31.509 7.811 1.673
17 HB3 LEU 2 HB1 LEU 2 32.416 6.543 0.823
18 HG LEU 2 HG LEU 2 33.778 9.192 1.455
19 HD11 LEU 2 HD11 LEU 2 32.835 8.521 3.601
20 HD12 LEU 2 HD12 LEU 2 34.578 8.159 3.602
21 HD13 LEU 2 HD13 LEU 2 33.397 6.848 3.368
22 HD21 LEU 2 HD21 LEU 2 34.726 6.295 1.205
23 HD22 LEU 2 HD22 LEU 2 35.773 7.674 1.609
24 HD23 LEU 2 HD23 LEU 2 34.985 7.594 0.018
25 HA PRO 3 HA PRO 3 29.850 6.423 -3.308
26 HB2 PRO 3 HB2 PRO 3 31.097 4.154 -4.157
27 HB3 PRO 3 HB1 PRO 3 31.617 5.781 -4.703
28 HG2 PRO 3 HG2 PRO 3 32.785 4.041 -2.537
29 HG3 PRO 3 HG1 PRO 3 33.621 4.960 -3.827
30 HD2 PRO 3 HD2 PRO 3 33.372 5.914 -1.253
31 HD3 PRO 3 HD1 PRO 3 33.442 6.990 -2.688
32 H ILE 4 HN ILE 4 30.176 5.788 -0.270
33 HA ILE 4 HA ILE 4 28.311 3.454 -0.319
34 HB ILE 4 HB ILE 4 30.664 3.505 1.621
35 HG12 ILE 4 HG12 ILE 4 30.388 2.033 -1.041
36 HG13 ILE 4 HG11 ILE 4 31.589 3.283 -0.640
37 HG21 ILE 4 HG21 ILE 4 28.463 2.229 2.086
38 HG22 ILE 4 HG22 ILE 4 29.967 1.283 2.162
39 HG23 ILE 4 HG23 ILE 4 28.918 1.175 0.728
40 HD11 ILE 4 HD1 ILE 4 31.372 0.457 0.449
41 HD12 ILE 4 HD2 ILE 4 32.306 1.713 1.300
42 HD13 ILE 4 HD3 ILE 4 32.756 1.234 -0.353
43 H VAL 5 HN VAL 5 30.075 5.830 1.721
44 HA VAL 5 HA VAL 5 27.478 6.572 2.989
45 HB VAL 5 HB VAL 5 29.907 5.873 4.695
46 HG11 VAL 5 HG11 VAL 5 26.977 6.451 5.331
47 HG12 VAL 5 HG12 VAL 5 28.349 7.546 5.630
48 HG13 VAL 5 HG13 VAL 5 28.224 6.011 6.522
49 HG21 VAL 5 HG21 VAL 5 29.114 3.790 3.746
50 HG22 VAL 5 HG22 VAL 5 27.416 4.249 4.019
51 HG23 VAL 5 HG23 VAL 5 28.476 3.894 5.404
52 H GLY 6 HN GLY 6 28.022 8.416 1.546
53 HA2 GLY 6 HA1 GLY 6 30.339 10.046 2.206
54 HA3 GLY 6 HA2 GLY 6 28.976 10.505 1.167
55 H ASN 7 HN ASN 7 26.809 10.660 2.532
56 HA ASN 7 HA ASN 7 27.299 11.904 5.198
57 HB2 ASN 7 HB2 ASN 7 26.039 13.418 2.871
58 HB3 ASN 7 HB1 ASN 7 26.109 13.978 4.559
59 HD21 ASN 7 HD21 ASN 7 28.581 13.684 5.476
60 HD22 ASN 7 HD22 ASN 7 29.794 14.383 4.399
61 H LEU 8 HN LEU 8 25.168 10.884 2.593
62 HA LEU 8 HA LEU 8 23.313 9.679 4.493
63 HB2 LEU 8 HB2 LEU 8 21.350 11.074 3.293
64 HB3 LEU 8 HB1 LEU 8 22.161 11.692 4.745
65 HG LEU 8 HG LEU 8 23.674 13.058 3.358
66 HD11 LEU 8 HD11 LEU 8 22.132 11.786 1.056
67 HD12 LEU 8 HD12 LEU 8 23.885 11.711 1.356
68 HD13 LEU 8 HD13 LEU 8 23.129 13.247 0.880
69 HD21 LEU 8 HD21 LEU 8 20.740 13.361 2.579
70 HD22 LEU 8 HD22 LEU 8 21.981 14.633 2.479
71 HD23 LEU 8 HD23 LEU 8 21.491 13.991 4.066
72 H LEU 9 HN LEU 9 24.937 8.542 2.677
73 HA LEU 9 HA LEU 9 24.922 7.057 0.901
74 HB2 LEU 9 HB2 LEU 9 21.895 7.328 0.811
75 HB3 LEU 9 HB1 LEU 9 22.896 5.942 0.327
76 HG LEU 9 HG LEU 9 22.483 6.987 3.164
77 HD11 LEU 9 HD11 LEU 9 20.639 5.624 2.072
78 HD12 LEU 9 HD12 LEU 9 21.337 4.890 3.536
79 HD13 LEU 9 HD13 LEU 9 21.804 4.286 1.928
80 HD21 LEU 9 HD21 LEU 9 24.748 6.228 3.094
81 HD22 LEU 9 HD22 LEU 9 24.350 4.874 2.008
82 HD23 LEU 9 HD23 LEU 9 23.829 4.836 3.711
83 H LYS 10 HN LYS 10 25.204 9.881 0.502
84 HA LYS 10 HA LYS 10 25.260 11.419 -1.227
85 HB2 LYS 10 HB2 LYS 10 24.794 8.942 -2.935
86 HB3 LYS 10 HB1 LYS 10 25.347 10.525 -3.535
87 HG2 LYS 10 HG2 LYS 10 27.273 10.308 -1.809
88 HG3 LYS 10 HG1 LYS 10 26.798 8.596 -1.683
89 HD2 LYS 10 HD2 LYS 10 27.592 10.041 -4.251
90 HD3 LYS 10 HD1 LYS 10 28.609 8.898 -3.345
91 HE2 LYS 10 HE2 LYS 10 26.679 7.202 -3.643
92 HE3 LYS 10 HE1 LYS 10 26.032 8.337 -4.854
93 HZ1 LYS 10 HZ1 LYS 10 27.968 8.127 -6.154
94 HZ2 LYS 10 HZ2 LYS 10 27.547 6.541 -5.714
95 HZ3 LYS 10 HZ3 LYS 10 28.825 7.334 -4.925
96 H SER 11 HN SER 11 24.014 12.563 -2.869
97 HA SER 11 HA SER 11 21.163 12.501 -2.190
98 HB2 SER 11 HB2 SER 11 21.026 14.445 -3.703
99 HB3 SER 11 HB1 SER 11 22.360 14.627 -2.544
100 HG SER 11 HG SER 11 23.198 13.300 -4.732
101 H LEU 12 HN LEU 12 22.419 10.174 -3.638
102 HA LEU 12 HA LEU 12 21.824 8.725 -5.343
103 HB2 LEU 12 HB2 LEU 12 19.277 10.342 -5.673
104 HB3 LEU 12 HB1 LEU 12 19.531 8.606 -5.959
105 HG LEU 12 HG LEU 12 19.592 10.042 -3.268
106 HD11 LEU 12 HD11 LEU 12 17.340 9.614 -4.290
107 HD12 LEU 12 HD12 LEU 12 17.605 8.695 -2.789
108 HD13 LEU 12 HD13 LEU 12 17.740 7.882 -4.368
109 HD21 LEU 12 HD21 LEU 12 19.759 7.592 -2.431
110 HD22 LEU 12 HD22 LEU 12 21.237 8.316 -3.102
111 HD23 LEU 12 HD23 LEU 12 20.274 7.188 -4.087
112 H LEU 13 HN LEU 13 20.119 11.612 -6.630
113 HA LEU 13 HA LEU 13 21.337 11.205 -9.241
114 HB2 LEU 13 HB2 LEU 13 19.560 13.336 -8.007
115 HB3 LEU 13 HB1 LEU 13 20.245 13.551 -9.635
116 HG LEU 13 HG LEU 13 19.234 11.369 -10.320
117 HD11 LEU 13 HD11 LEU 13 19.067 10.148 -8.273
118 HD12 LEU 13 HD12 LEU 13 17.387 10.509 -8.728
119 HD13 LEU 13 HD13 LEU 13 18.191 11.468 -7.461
120 HD21 LEU 13 HD21 LEU 13 16.966 12.210 -10.502
121 HD22 LEU 13 HD22 LEU 13 18.066 13.607 -10.580
122 HD23 LEU 13 HD23 LEU 13 17.183 13.251 -9.076
Start of MODEL 14
1 H1 LEU 1 HT1 LEU 1 31.015 8.680 0.107
2 H2 LEU 1 HT2 LEU 1 32.158 9.866 -0.310
3 H3 LEU 1 HT3 LEU 1 31.945 8.502 -1.299
4 HA LEU 1 HA LEU 1 30.167 10.804 -0.906
5 HB2 LEU 1 HB2 LEU 1 31.031 9.422 -3.467
6 HB3 LEU 1 HB1 LEU 1 30.364 11.058 -3.261
7 HG LEU 1 HG LEU 1 33.080 10.072 -2.286
8 HD11 LEU 1 HD11 LEU 1 32.260 12.095 -4.417
9 HD12 LEU 1 HD12 LEU 1 32.958 10.485 -4.716
10 HD13 LEU 1 HD13 LEU 1 33.932 11.745 -3.920
11 HD21 LEU 1 HD21 LEU 1 33.341 12.607 -1.782
12 HD22 LEU 1 HD22 LEU 1 32.343 11.658 -0.657
13 HD23 LEU 1 HD23 LEU 1 31.566 12.686 -1.887
14 H LEU 2 HN LEU 2 30.225 7.403 -0.963
15 HA LEU 2 HA LEU 2 27.369 7.235 -0.872
16 HB2 LEU 2 HB2 LEU 2 27.256 7.638 -3.198
17 HB3 LEU 2 HB1 LEU 2 28.665 6.629 -3.548
18 HG LEU 2 HG LEU 2 27.387 4.595 -2.981
19 HD11 LEU 2 HD11 LEU 2 25.946 5.370 -1.207
20 HD12 LEU 2 HD12 LEU 2 24.875 4.907 -2.548
21 HD13 LEU 2 HD13 LEU 2 25.233 6.624 -2.245
22 HD21 LEU 2 HD21 LEU 2 25.733 4.691 -4.802
23 HD22 LEU 2 HD22 LEU 2 27.226 5.533 -5.282
24 HD23 LEU 2 HD23 LEU 2 25.796 6.470 -4.786
25 HA PRO 3 HA PRO 3 29.189 2.697 -0.988
26 HB2 PRO 3 HB2 PRO 3 32.011 2.623 -0.848
27 HB3 PRO 3 HB1 PRO 3 31.041 2.320 -2.324
28 HG2 PRO 3 HG2 PRO 3 32.381 4.858 -1.415
29 HG3 PRO 3 HG1 PRO 3 32.306 4.132 -3.052
30 HD2 PRO 3 HD2 PRO 3 30.709 6.187 -2.434
31 HD3 PRO 3 HD1 PRO 3 30.069 4.807 -3.390
32 H ILE 4 HN ILE 4 31.860 4.638 0.440
33 HA ILE 4 HA ILE 4 31.434 3.389 3.055
34 HB ILE 4 HB ILE 4 33.239 4.946 3.809
35 HG12 ILE 4 HG12 ILE 4 33.031 5.947 0.930
36 HG13 ILE 4 HG11 ILE 4 32.686 6.884 2.401
37 HG21 ILE 4 HG21 ILE 4 34.999 3.880 2.577
38 HG22 ILE 4 HG22 ILE 4 33.972 3.683 1.136
39 HG23 ILE 4 HG23 ILE 4 33.655 2.717 2.596
40 HD11 ILE 4 HD1 ILE 4 34.889 7.539 1.816
41 HD12 ILE 4 HD2 ILE 4 35.363 5.881 1.381
42 HD13 ILE 4 HD3 ILE 4 35.138 6.323 3.091
43 H VAL 5 HN VAL 5 29.197 4.943 1.874
44 HA VAL 5 HA VAL 5 27.601 6.458 2.597
45 HB VAL 5 HB VAL 5 28.983 6.323 5.310
46 HG11 VAL 5 HG11 VAL 5 26.119 6.871 4.409
47 HG12 VAL 5 HG12 VAL 5 27.252 8.050 5.113
48 HG13 VAL 5 HG13 VAL 5 26.637 6.706 6.105
49 HG21 VAL 5 HG21 VAL 5 28.588 4.039 4.466
50 HG22 VAL 5 HG22 VAL 5 26.907 4.464 4.062
51 HG23 VAL 5 HG23 VAL 5 27.430 4.422 5.762
52 H GLY 6 HN GLY 6 28.115 8.264 1.424
53 HA2 GLY 6 HA1 GLY 6 30.311 10.002 2.028
54 HA3 GLY 6 HA2 GLY 6 28.888 10.414 1.050
55 H ASN 7 HN ASN 7 26.814 10.710 2.394
56 HA ASN 7 HA ASN 7 27.373 11.955 5.060
57 HB2 ASN 7 HB2 ASN 7 27.608 13.793 3.405
58 HB3 ASN 7 HB1 ASN 7 25.992 13.411 2.764
59 HD21 ASN 7 HD21 ASN 7 27.731 15.141 5.238
60 HD22 ASN 7 HD22 ASN 7 26.315 15.658 6.159
61 H LEU 8 HN LEU 8 25.289 10.656 2.599
62 HA LEU 8 HA LEU 8 23.504 9.451 4.489
63 HB2 LEU 8 HB2 LEU 8 22.773 11.923 4.589
64 HB3 LEU 8 HB1 LEU 8 22.249 11.726 2.904
65 HG LEU 8 HG LEU 8 20.944 9.607 3.831
66 HD11 LEU 8 HD11 LEU 8 21.392 11.268 6.358
67 HD12 LEU 8 HD12 LEU 8 21.834 9.565 6.101
68 HD13 LEU 8 HD13 LEU 8 20.124 10.035 6.187
69 HD21 LEU 8 HD21 LEU 8 19.868 11.639 2.913
70 HD22 LEU 8 HD22 LEU 8 20.061 12.457 4.482
71 HD23 LEU 8 HD23 LEU 8 18.986 11.046 4.340
72 H LEU 9 HN LEU 9 25.002 8.423 2.509
73 HA LEU 9 HA LEU 9 24.876 7.086 0.624
74 HB2 LEU 9 HB2 LEU 9 21.851 7.359 0.761
75 HB3 LEU 9 HB1 LEU 9 22.807 6.022 0.084
76 HG LEU 9 HG LEU 9 22.727 6.815 3.031
77 HD11 LEU 9 HD11 LEU 9 21.539 4.418 1.565
78 HD12 LEU 9 HD12 LEU 9 20.612 5.800 2.197
79 HD13 LEU 9 HD13 LEU 9 21.468 4.715 3.318
80 HD21 LEU 9 HD21 LEU 9 23.867 4.490 3.208
81 HD22 LEU 9 HD22 LEU 9 24.866 5.834 2.610
82 HD23 LEU 9 HD23 LEU 9 24.189 4.649 1.465
83 H LYS 10 HN LYS 10 25.165 9.920 0.405
84 HA LYS 10 HA LYS 10 25.184 11.533 -1.253
85 HB2 LYS 10 HB2 LYS 10 25.808 9.441 -2.633
86 HB3 LYS 10 HB1 LYS 10 24.120 9.445 -3.191
87 HG2 LYS 10 HG2 LYS 10 24.381 11.720 -4.078
88 HG3 LYS 10 HG1 LYS 10 26.041 11.804 -3.441
89 HD2 LYS 10 HD2 LYS 10 26.706 9.919 -4.891
90 HD3 LYS 10 HD1 LYS 10 25.042 9.800 -5.512
91 HE2 LYS 10 HE2 LYS 10 25.266 12.240 -6.242
92 HE3 LYS 10 HE1 LYS 10 27.001 12.102 -5.866
93 HZ1 LYS 10 HZ1 LYS 10 26.457 9.881 -7.356
94 HZ2 LYS 10 HZ2 LYS 10 27.204 11.300 -7.917
95 HZ3 LYS 10 HZ3 LYS 10 25.529 11.084 -8.109
96 H SER 11 HN SER 11 23.822 12.902 -2.596
97 HA SER 11 HA SER 11 20.966 12.347 -2.780
98 HB2 SER 11 HB2 SER 11 21.877 14.450 -0.777
99 HB3 SER 11 HB1 SER 11 20.199 14.112 -1.258
100 HG SER 11 HG SER 11 20.329 12.141 -0.285
101 H LEU 12 HN LEU 12 23.208 15.130 -2.357
102 HA LEU 12 HA LEU 12 23.508 17.011 -3.666
103 HB2 LEU 12 HB2 LEU 12 24.107 14.870 -5.199
104 HB3 LEU 12 HB1 LEU 12 22.755 15.486 -6.169
105 HG LEU 12 HG LEU 12 25.183 17.135 -5.308
106 HD11 LEU 12 HD11 LEU 12 25.793 15.368 -6.917
107 HD12 LEU 12 HD12 LEU 12 25.832 16.967 -7.701
108 HD13 LEU 12 HD13 LEU 12 24.460 15.867 -7.985
109 HD21 LEU 12 HD21 LEU 12 23.218 18.539 -5.657
110 HD22 LEU 12 HD22 LEU 12 22.830 17.686 -7.171
111 HD23 LEU 12 HD23 LEU 12 24.284 18.707 -7.070
112 H LEU 13 HN LEU 13 21.144 17.131 -2.452
113 HA LEU 13 HA LEU 13 19.002 18.017 -2.580
114 HB2 LEU 13 HB2 LEU 13 19.855 19.319 -5.186
115 HB3 LEU 13 HB1 LEU 13 18.768 19.952 -3.925
116 HG LEU 13 HG LEU 13 21.778 19.514 -3.680
117 HD11 LEU 13 HD11 LEU 13 21.044 21.505 -5.004
118 HD12 LEU 13 HD12 LEU 13 21.855 21.961 -3.487
119 HD13 LEU 13 HD13 LEU 13 20.081 22.049 -3.610
120 HD21 LEU 13 HD21 LEU 13 21.369 20.730 -1.439
121 HD22 LEU 13 HD22 LEU 13 20.848 19.032 -1.521
122 HD23 LEU 13 HD23 LEU 13 19.646 20.340 -1.662
Start of MODEL 15
1 H1 LEU 1 HT1 LEU 1 31.218 13.144 -0.652
2 H2 LEU 1 HT2 LEU 1 31.293 11.521 -0.154
3 H3 LEU 1 HT3 LEU 1 29.893 12.440 0.138
4 HA LEU 1 HA LEU 1 29.042 11.849 -1.758
5 HB2 LEU 1 HB2 LEU 1 31.637 13.049 -2.790
6 HB3 LEU 1 HB1 LEU 1 30.429 12.360 -3.897
7 HG LEU 1 HG LEU 1 28.702 13.888 -2.907
8 HD11 LEU 1 HD11 LEU 1 29.515 14.377 -0.721
9 HD12 LEU 1 HD12 LEU 1 29.719 15.899 -1.615
10 HD13 LEU 1 HD13 LEU 1 31.122 14.842 -1.327
11 HD21 LEU 1 HD21 LEU 1 31.183 15.340 -3.925
12 HD22 LEU 1 HD22 LEU 1 29.494 15.886 -4.062
13 HD23 LEU 1 HD23 LEU 1 30.043 14.452 -4.964
14 H LEU 2 HN LEU 2 30.525 9.936 -0.171
15 HA LEU 2 HA LEU 2 31.936 8.191 -2.082
16 HB2 LEU 2 HB2 LEU 2 31.011 7.499 0.731
17 HB3 LEU 2 HB1 LEU 2 32.360 6.791 -0.187
18 HG LEU 2 HG LEU 2 32.180 9.648 0.860
19 HD11 LEU 2 HD11 LEU 2 34.028 7.327 1.569
20 HD12 LEU 2 HD12 LEU 2 32.664 7.894 2.561
21 HD13 LEU 2 HD13 LEU 2 34.067 8.955 2.287
22 HD21 LEU 2 HD21 LEU 2 33.388 9.807 -1.190
23 HD22 LEU 2 HD22 LEU 2 34.185 8.233 -0.945
24 HD23 LEU 2 HD23 LEU 2 34.655 9.636 0.045
25 HA PRO 3 HA PRO 3 28.300 5.959 -3.342
26 HB2 PRO 3 HB2 PRO 3 29.343 3.485 -3.975
27 HB3 PRO 3 HB1 PRO 3 29.600 4.941 -4.991
28 HG2 PRO 3 HG2 PRO 3 31.428 3.706 -2.940
29 HG3 PRO 3 HG1 PRO 3 31.811 4.336 -4.573
30 HD2 PRO 3 HD2 PRO 3 32.275 5.801 -2.309
31 HD3 PRO 3 HD1 PRO 3 31.807 6.570 -3.860
32 H ILE 4 HN ILE 4 30.321 4.970 -0.710
33 HA ILE 4 HA ILE 4 28.464 2.864 0.238
34 HB ILE 4 HB ILE 4 30.812 4.084 1.753
35 HG12 ILE 4 HG12 ILE 4 30.794 1.814 -0.292
36 HG13 ILE 4 HG11 ILE 4 31.608 3.387 -0.472
37 HG21 ILE 4 HG21 ILE 4 29.696 1.251 1.816
38 HG22 ILE 4 HG22 ILE 4 29.080 2.540 2.875
39 HG23 ILE 4 HG23 ILE 4 30.780 2.034 2.991
40 HD11 ILE 4 HD1 ILE 4 32.861 2.769 1.727
41 HD12 ILE 4 HD2 ILE 4 33.336 1.922 0.236
42 HD13 ILE 4 HD3 ILE 4 32.286 1.111 1.421
43 H VAL 5 HN VAL 5 29.762 5.972 1.521
44 HA VAL 5 HA VAL 5 27.170 6.898 2.341
45 HB VAL 5 HB VAL 5 27.242 5.178 4.046
46 HG11 VAL 5 HG11 VAL 5 29.056 4.701 5.462
47 HG12 VAL 5 HG12 VAL 5 29.817 6.285 5.217
48 HG13 VAL 5 HG13 VAL 5 29.872 5.065 3.928
49 HG21 VAL 5 HG21 VAL 5 28.048 7.813 5.364
50 HG22 VAL 5 HG22 VAL 5 27.006 6.539 6.038
51 HG23 VAL 5 HG23 VAL 5 26.448 7.504 4.651
52 H GLY 6 HN GLY 6 27.853 8.794 1.393
53 HA2 GLY 6 HA1 GLY 6 30.338 10.083 2.292
54 HA3 GLY 6 HA2 GLY 6 29.159 10.718 1.129
55 H ASN 7 HN ASN 7 26.820 10.570 2.668
56 HA ASN 7 HA ASN 7 27.291 11.998 5.203
57 HB2 ASN 7 HB2 ASN 7 27.585 13.804 3.507
58 HB3 ASN 7 HB1 ASN 7 25.960 13.447 2.876
59 HD21 ASN 7 HD21 ASN 7 25.099 15.547 3.506
60 HD22 ASN 7 HD22 ASN 7 24.833 15.941 5.207
61 H LEU 8 HN LEU 8 25.229 10.686 2.695
62 HA LEU 8 HA LEU 8 23.391 9.578 4.613
63 HB2 LEU 8 HB2 LEU 8 22.712 12.058 4.588
64 HB3 LEU 8 HB1 LEU 8 22.216 11.800 2.901
65 HG LEU 8 HG LEU 8 20.859 9.735 3.920
66 HD11 LEU 8 HD11 LEU 8 19.990 10.282 6.206
67 HD12 LEU 8 HD12 LEU 8 21.192 11.586 6.326
68 HD13 LEU 8 HD13 LEU 8 21.723 9.893 6.215
69 HD21 LEU 8 HD21 LEU 8 18.909 11.248 4.300
70 HD22 LEU 8 HD22 LEU 8 19.808 11.670 2.822
71 HD23 LEU 8 HD23 LEU 8 20.013 12.644 4.298
72 H LEU 9 HN LEU 9 24.864 8.375 2.729
73 HA LEU 9 HA LEU 9 24.619 6.820 1.034
74 HB2 LEU 9 HB2 LEU 9 22.123 6.858 2.131
75 HB3 LEU 9 HB1 LEU 9 21.716 7.460 0.512
76 HG LEU 9 HG LEU 9 23.266 4.889 1.094
77 HD11 LEU 9 HD11 LEU 9 20.818 4.904 1.759
78 HD12 LEU 9 HD12 LEU 9 21.237 3.718 0.500
79 HD13 LEU 9 HD13 LEU 9 20.425 5.238 0.055
80 HD21 LEU 9 HD21 LEU 9 22.149 6.094 -1.480
81 HD22 LEU 9 HD22 LEU 9 22.840 4.460 -1.337
82 HD23 LEU 9 HD23 LEU 9 23.869 5.887 -1.070
83 H LYS 10 HN LYS 10 25.459 9.493 0.599
84 HA LYS 10 HA LYS 10 25.937 10.905 -1.166
85 HB2 LYS 10 HB2 LYS 10 26.182 8.539 -2.268
86 HB3 LYS 10 HB1 LYS 10 24.652 8.928 -3.083
87 HG2 LYS 10 HG2 LYS 10 25.736 11.098 -3.866
88 HG3 LYS 10 HG1 LYS 10 27.274 10.478 -3.220
89 HD2 LYS 10 HD2 LYS 10 26.998 8.437 -4.665
90 HD3 LYS 10 HD1 LYS 10 25.555 9.190 -5.385
91 HE2 LYS 10 HE2 LYS 10 28.290 10.531 -5.356
92 HE3 LYS 10 HE1 LYS 10 27.719 9.513 -6.699
93 HZ1 LYS 10 HZ1 LYS 10 27.037 12.208 -6.058
94 HZ2 LYS 10 HZ2 LYS 10 25.646 11.239 -6.162
95 HZ3 LYS 10 HZ3 LYS 10 26.724 11.326 -7.472
96 H SER 11 HN SER 11 24.013 10.534 -3.689
97 HA SER 11 HA SER 11 21.886 12.380 -2.598
98 HB2 SER 11 HB2 SER 11 23.498 13.316 -4.308
99 HB3 SER 11 HB1 SER 11 22.869 12.122 -5.465
100 HG SER 11 HG SER 11 21.607 13.877 -5.756
101 H LEU 12 HN LEU 12 21.722 9.504 -2.413
102 HA LEU 12 HA LEU 12 20.274 7.771 -2.958
103 HB2 LEU 12 HB2 LEU 12 18.383 9.924 -3.961
104 HB3 LEU 12 HB1 LEU 12 17.981 8.360 -3.212
105 HG LEU 12 HG LEU 12 19.330 10.734 -1.850
106 HD11 LEU 12 HD11 LEU 12 17.259 10.813 -0.525
107 HD12 LEU 12 HD12 LEU 12 16.619 9.405 -1.405
108 HD13 LEU 12 HD13 LEU 12 16.875 10.946 -2.258
109 HD21 LEU 12 HD21 LEU 12 18.927 9.220 0.225
110 HD22 LEU 12 HD22 LEU 12 20.283 8.791 -0.840
111 HD23 LEU 12 HD23 LEU 12 18.754 7.884 -0.939
112 H LEU 13 HN LEU 13 22.165 7.952 -4.832
113 HA LEU 13 HA LEU 13 21.522 8.525 -7.475
114 HB2 LEU 13 HB2 LEU 13 23.236 7.007 -8.123
115 HB3 LEU 13 HB1 LEU 13 23.714 7.620 -6.526
116 HG LEU 13 HG LEU 13 22.462 4.912 -7.174
117 HD11 LEU 13 HD11 LEU 13 24.942 5.268 -7.511
118 HD12 LEU 13 HD12 LEU 13 24.543 4.032 -6.293
119 HD13 LEU 13 HD13 LEU 13 25.067 5.652 -5.778
120 HD21 LEU 13 HD21 LEU 13 22.777 4.559 -4.634
121 HD22 LEU 13 HD22 LEU 13 21.408 5.582 -5.122
122 HD23 LEU 13 HD23 LEU 13 22.904 6.329 -4.511
Start of MODEL 16
1 H1 LEU 1 HT1 LEU 1 33.366 13.214 0.275
2 H2 LEU 1 HT2 LEU 1 32.794 12.188 1.505
3 H3 LEU 1 HT3 LEU 1 32.168 13.759 1.344
4 HA LEU 1 HA LEU 1 30.588 12.254 0.500
5 HB2 LEU 1 HB2 LEU 1 32.010 13.449 -1.904
6 HB3 LEU 1 HB1 LEU 1 30.263 13.210 -1.656
7 HG LEU 1 HG LEU 1 32.054 15.132 -0.101
8 HD11 LEU 1 HD11 LEU 1 30.714 16.872 -1.234
9 HD12 LEU 1 HD12 LEU 1 29.802 15.615 -2.103
10 HD13 LEU 1 HD13 LEU 1 31.539 15.839 -2.425
11 HD21 LEU 1 HD21 LEU 1 30.360 14.404 1.422
12 HD22 LEU 1 HD22 LEU 1 29.117 14.358 0.149
13 HD23 LEU 1 HD23 LEU 1 29.729 15.920 0.743
14 H LEU 2 HN LEU 2 30.431 10.138 0.254
15 HA LEU 2 HA LEU 2 32.251 8.788 -1.728
16 HB2 LEU 2 HB2 LEU 2 31.352 7.646 0.952
17 HB3 LEU 2 HB1 LEU 2 32.435 6.869 -0.218
18 HG LEU 2 HG LEU 2 33.052 9.545 1.115
19 HD11 LEU 2 HD11 LEU 2 33.996 6.746 1.877
20 HD12 LEU 2 HD12 LEU 2 32.853 7.742 2.809
21 HD13 LEU 2 HD13 LEU 2 34.541 8.271 2.615
22 HD21 LEU 2 HD21 LEU 2 34.367 9.290 -0.877
23 HD22 LEU 2 HD22 LEU 2 34.640 7.559 -0.571
24 HD23 LEU 2 HD23 LEU 2 35.434 8.780 0.449
25 HA PRO 3 HA PRO 3 28.384 7.299 -3.326
26 HB2 PRO 3 HB2 PRO 3 29.136 4.931 -4.532
27 HB3 PRO 3 HB1 PRO 3 29.530 6.544 -5.208
28 HG2 PRO 3 HG2 PRO 3 31.246 4.705 -3.551
29 HG3 PRO 3 HG1 PRO 3 31.670 5.635 -5.023
30 HD2 PRO 3 HD2 PRO 3 32.337 6.517 -2.530
31 HD3 PRO 3 HD1 PRO 3 31.898 7.654 -3.846
32 H ILE 4 HN ILE 4 30.335 5.344 -1.163
33 HA ILE 4 HA ILE 4 28.198 3.375 -0.665
34 HB ILE 4 HB ILE 4 30.678 3.869 1.037
35 HG12 ILE 4 HG12 ILE 4 30.367 2.181 -1.489
36 HG13 ILE 4 HG11 ILE 4 31.367 3.642 -1.322
37 HG21 ILE 4 HG21 ILE 4 28.753 2.333 1.802
38 HG22 ILE 4 HG22 ILE 4 30.369 1.595 1.734
39 HG23 ILE 4 HG23 ILE 4 29.191 1.278 0.438
40 HD11 ILE 4 HD1 ILE 4 32.545 2.376 0.626
41 HD12 ILE 4 HD2 ILE 4 32.905 1.857 -1.037
42 HD13 ILE 4 HD3 ILE 4 31.770 0.918 -0.042
43 H VAL 5 HN VAL 5 29.605 6.243 0.918
44 HA VAL 5 HA VAL 5 27.140 6.877 2.235
45 HB VAL 5 HB VAL 5 27.549 5.021 3.719
46 HG11 VAL 5 HG11 VAL 5 30.089 4.971 3.149
47 HG12 VAL 5 HG12 VAL 5 29.594 4.516 4.793
48 HG13 VAL 5 HG13 VAL 5 30.277 6.124 4.488
49 HG21 VAL 5 HG21 VAL 5 28.526 7.514 5.187
50 HG22 VAL 5 HG22 VAL 5 27.611 6.143 5.855
51 HG23 VAL 5 HG23 VAL 5 26.835 7.253 4.702
52 H GLY 6 HN GLY 6 27.587 8.875 1.352
53 HA2 GLY 6 HA1 GLY 6 30.089 10.262 2.046
54 HA3 GLY 6 HA2 GLY 6 28.742 10.893 1.080
55 H ASN 7 HN ASN 7 26.588 10.874 2.575
56 HA ASN 7 HA ASN 7 27.179 11.874 5.303
57 HB2 ASN 7 HB2 ASN 7 27.572 13.879 3.885
58 HB3 ASN 7 HB1 ASN 7 25.940 13.696 3.197
59 HD21 ASN 7 HD21 ASN 7 27.388 13.639 6.544
60 HD22 ASN 7 HD22 ASN 7 26.165 14.714 7.230
61 H LEU 8 HN LEU 8 25.173 10.736 2.773
62 HA LEU 8 HA LEU 8 23.178 9.773 4.638
63 HB2 LEU 8 HB2 LEU 8 22.553 12.249 4.318
64 HB3 LEU 8 HB1 LEU 8 22.207 11.836 2.625
65 HG LEU 8 HG LEU 8 20.713 9.906 3.670
66 HD11 LEU 8 HD11 LEU 8 19.659 10.679 5.840
67 HD12 LEU 8 HD12 LEU 8 20.962 11.881 5.989
68 HD13 LEU 8 HD13 LEU 8 21.344 10.144 6.012
69 HD21 LEU 8 HD21 LEU 8 18.781 11.473 3.777
70 HD22 LEU 8 HD22 LEU 8 19.823 11.807 2.373
71 HD23 LEU 8 HD23 LEU 8 19.909 12.849 3.814
72 H LEU 9 HN LEU 9 24.801 8.399 3.046
73 HA LEU 9 HA LEU 9 24.873 6.848 1.334
74 HB2 LEU 9 HB2 LEU 9 21.875 7.114 1.765
75 HB3 LEU 9 HB1 LEU 9 22.547 6.000 0.553
76 HG LEU 9 HG LEU 9 23.834 4.831 2.272
77 HD11 LEU 9 HD11 LEU 9 22.790 7.064 4.056
78 HD12 LEU 9 HD12 LEU 9 24.470 6.522 3.818
79 HD13 LEU 9 HD13 LEU 9 23.331 5.509 4.732
80 HD21 LEU 9 HD21 LEU 9 21.444 4.200 1.890
81 HD22 LEU 9 HD22 LEU 9 20.966 5.303 3.204
82 HD23 LEU 9 HD23 LEU 9 21.969 3.877 3.559
83 H LYS 10 HN LYS 10 25.187 9.594 0.653
84 HA LYS 10 HA LYS 10 24.470 9.403 -2.233
85 HB2 LYS 10 HB2 LYS 10 23.570 11.715 -2.264
86 HB3 LYS 10 HB1 LYS 10 22.551 10.615 -1.305
87 HG2 LYS 10 HG2 LYS 10 23.837 11.406 0.755
88 HG3 LYS 10 HG1 LYS 10 24.555 12.665 -0.274
89 HD2 LYS 10 HD2 LYS 10 21.581 12.239 0.267
90 HD3 LYS 10 HD1 LYS 10 22.588 13.568 0.888
91 HE2 LYS 10 HE2 LYS 10 21.660 13.061 -1.955
92 HE3 LYS 10 HE1 LYS 10 21.512 14.540 -0.980
93 HZ1 LYS 10 HZ1 LYS 10 23.799 13.520 -2.489
94 HZ2 LYS 10 HZ2 LYS 10 24.138 14.306 -1.021
95 HZ3 LYS 10 HZ3 LYS 10 23.281 15.116 -2.245
96 H SER 11 HN SER 11 25.827 10.544 -3.578
97 HA SER 11 HA SER 11 27.699 12.522 -2.629
98 HB2 SER 11 HB2 SER 11 28.850 10.742 -1.505
99 HB3 SER 11 HB1 SER 11 28.696 9.666 -2.913
100 HG SER 11 HG SER 11 30.624 11.416 -2.355
101 H LEU 12 HN LEU 12 25.813 11.558 -4.864
102 HA LEU 12 HA LEU 12 27.551 12.526 -7.075
103 HB2 LEU 12 HB2 LEU 12 26.683 10.653 -8.561
104 HB3 LEU 12 HB1 LEU 12 27.911 10.184 -7.368
105 HG LEU 12 HG LEU 12 25.015 9.970 -6.499
106 HD11 LEU 12 HD11 LEU 12 24.897 9.019 -8.755
107 HD12 LEU 12 HD12 LEU 12 24.826 7.714 -7.547
108 HD13 LEU 12 HD13 LEU 12 26.336 8.022 -8.439
109 HD21 LEU 12 HD21 LEU 12 26.820 9.332 -4.943
110 HD22 LEU 12 HD22 LEU 12 27.491 8.210 -6.149
111 HD23 LEU 12 HD23 LEU 12 25.899 7.890 -5.424
112 H LEU 13 HN LEU 13 26.094 14.353 -6.604
113 HA LEU 13 HA LEU 13 23.254 14.127 -7.028
114 HB2 LEU 13 HB2 LEU 13 25.236 16.426 -7.112
115 HB3 LEU 13 HB1 LEU 13 23.518 16.677 -7.504
116 HG LEU 13 HG LEU 13 22.848 15.828 -5.308
117 HD11 LEU 13 HD11 LEU 13 24.758 15.403 -3.610
118 HD12 LEU 13 HD12 LEU 13 25.822 15.247 -5.029
119 HD13 LEU 13 HD13 LEU 13 24.451 14.133 -4.814
120 HD21 LEU 13 HD21 LEU 13 23.581 18.243 -5.617
121 HD22 LEU 13 HD22 LEU 13 25.163 17.778 -4.949
122 HD23 LEU 13 HD23 LEU 13 23.700 17.642 -3.946
Start of MODEL 17
1 H1 LEU 1 HT1 LEU 1 28.019 12.773 -0.831
2 H2 LEU 1 HT2 LEU 1 29.548 12.249 -0.306
3 H3 LEU 1 HT3 LEU 1 28.342 11.115 -0.692
4 HA LEU 1 HA LEU 1 28.358 11.899 -2.983
5 HB2 LEU 1 HB2 LEU 1 30.921 13.335 -2.209
6 HB3 LEU 1 HB1 LEU 1 30.020 13.424 -3.741
7 HG LEU 1 HG LEU 1 29.063 14.451 -1.030
8 HD11 LEU 1 HD11 LEU 1 30.852 15.807 -2.124
9 HD12 LEU 1 HD12 LEU 1 29.295 16.668 -2.070
10 HD13 LEU 1 HD13 LEU 1 29.848 15.919 -3.587
11 HD21 LEU 1 HD21 LEU 1 27.111 13.741 -2.217
12 HD22 LEU 1 HD22 LEU 1 27.758 14.299 -3.780
13 HD23 LEU 1 HD23 LEU 1 27.236 15.482 -2.556
14 H LEU 2 HN LEU 2 30.048 10.347 -0.572
15 HA LEU 2 HA LEU 2 32.044 9.091 -2.399
16 HB2 LEU 2 HB2 LEU 2 31.584 8.454 0.535
17 HB3 LEU 2 HB1 LEU 2 33.059 8.217 -0.433
18 HG LEU 2 HG LEU 2 31.832 10.881 0.401
19 HD11 LEU 2 HD11 LEU 2 33.880 11.131 1.708
20 HD12 LEU 2 HD12 LEU 2 34.524 9.605 1.056
21 HD13 LEU 2 HD13 LEU 2 33.112 9.584 2.139
22 HD21 LEU 2 HD21 LEU 2 34.026 11.761 -0.665
23 HD22 LEU 2 HD22 LEU 2 32.739 11.254 -1.781
24 HD23 LEU 2 HD23 LEU 2 34.127 10.180 -1.478
25 HA PRO 3 HA PRO 3 29.398 5.566 -3.033
26 HB2 PRO 3 HB2 PRO 3 31.199 3.606 -3.680
27 HB3 PRO 3 HB1 PRO 3 30.847 4.983 -4.772
28 HG2 PRO 3 HG2 PRO 3 33.144 4.612 -2.860
29 HG3 PRO 3 HG1 PRO 3 33.158 5.210 -4.549
30 HD2 PRO 3 HD2 PRO 3 33.228 6.905 -2.383
31 HD3 PRO 3 HD1 PRO 3 32.456 7.356 -3.939
32 H ILE 4 HN ILE 4 30.878 6.162 -0.302
33 HA ILE 4 HA ILE 4 30.020 3.590 0.968
34 HB ILE 4 HB ILE 4 32.642 4.947 1.737
35 HG12 ILE 4 HG12 ILE 4 32.158 2.554 -0.099
36 HG13 ILE 4 HG11 ILE 4 32.875 4.114 -0.560
37 HG21 ILE 4 HG21 ILE 4 31.671 2.107 2.266
38 HG22 ILE 4 HG22 ILE 4 31.311 3.458 3.369
39 HG23 ILE 4 HG23 ILE 4 32.998 2.984 3.065
40 HD11 ILE 4 HD1 ILE 4 34.044 1.947 1.218
41 HD12 ILE 4 HD2 ILE 4 34.651 3.621 1.281
42 HD13 ILE 4 HD3 ILE 4 34.750 2.693 -0.234
43 H VAL 5 HN VAL 5 28.301 5.463 1.112
44 HA VAL 5 HA VAL 5 27.144 6.879 2.530
45 HB VAL 5 HB VAL 5 29.073 5.985 4.713
46 HG11 VAL 5 HG11 VAL 5 26.183 6.960 4.715
47 HG12 VAL 5 HG12 VAL 5 27.599 7.862 5.305
48 HG13 VAL 5 HG13 VAL 5 27.069 6.386 6.146
49 HG21 VAL 5 HG21 VAL 5 26.550 4.657 3.627
50 HG22 VAL 5 HG22 VAL 5 27.357 4.197 5.145
51 HG23 VAL 5 HG23 VAL 5 28.201 3.994 3.591
52 H GLY 6 HN GLY 6 27.927 8.721 1.366
53 HA2 GLY 6 HA1 GLY 6 30.343 10.084 2.250
54 HA3 GLY 6 HA2 GLY 6 29.103 10.718 1.148
55 H ASN 7 HN ASN 7 26.834 10.568 2.700
56 HA ASN 7 HA ASN 7 27.326 11.861 5.297
57 HB2 ASN 7 HB2 ASN 7 26.155 13.437 2.966
58 HB3 ASN 7 HB1 ASN 7 26.085 13.946 4.671
59 HD21 ASN 7 HD21 ASN 7 28.416 13.828 5.801
60 HD22 ASN 7 HD22 ASN 7 29.726 14.502 4.829
61 H LEU 8 HN LEU 8 25.281 10.695 2.719
62 HA LEU 8 HA LEU 8 23.407 9.535 4.573
63 HB2 LEU 8 HB2 LEU 8 22.855 12.166 4.346
64 HB3 LEU 8 HB1 LEU 8 22.037 11.631 2.866
65 HG LEU 8 HG LEU 8 21.538 10.455 5.645
66 HD11 LEU 8 HD11 LEU 8 20.793 12.792 5.534
67 HD12 LEU 8 HD12 LEU 8 19.384 11.705 5.500
68 HD13 LEU 8 HD13 LEU 8 19.952 12.473 3.998
69 HD21 LEU 8 HD21 LEU 8 20.164 10.118 2.939
70 HD22 LEU 8 HD22 LEU 8 19.485 9.545 4.480
71 HD23 LEU 8 HD23 LEU 8 21.011 8.861 3.874
72 H LEU 9 HN LEU 9 24.933 8.370 2.710
73 HA LEU 9 HA LEU 9 24.775 6.881 0.946
74 HB2 LEU 9 HB2 LEU 9 22.373 6.608 2.032
75 HB3 LEU 9 HB1 LEU 9 21.823 7.498 0.597
76 HG LEU 9 HG LEU 9 23.319 5.705 -0.715
77 HD11 LEU 9 HD11 LEU 9 22.633 4.259 1.889
78 HD12 LEU 9 HD12 LEU 9 24.269 4.624 1.292
79 HD13 LEU 9 HD13 LEU 9 23.236 3.477 0.410
80 HD21 LEU 9 HD21 LEU 9 21.301 4.171 -0.779
81 HD22 LEU 9 HD22 LEU 9 20.921 5.888 -1.054
82 HD23 LEU 9 HD23 LEU 9 20.591 5.146 0.530
83 H LYS 10 HN LYS 10 25.189 9.812 0.695
84 HA LYS 10 HA LYS 10 25.154 11.498 -0.919
85 HB2 LYS 10 HB2 LYS 10 26.234 10.787 -3.025
86 HB3 LYS 10 HB1 LYS 10 27.029 10.089 -1.603
87 HG2 LYS 10 HG2 LYS 10 26.009 7.940 -1.964
88 HG3 LYS 10 HG1 LYS 10 24.907 8.586 -3.200
89 HD2 LYS 10 HD2 LYS 10 27.910 8.830 -3.603
90 HD3 LYS 10 HD1 LYS 10 27.108 7.278 -3.927
91 HE2 LYS 10 HE2 LYS 10 25.530 8.439 -5.479
92 HE3 LYS 10 HE1 LYS 10 26.405 9.964 -5.201
93 HZ1 LYS 10 HZ1 LYS 10 28.318 9.128 -6.210
94 HZ2 LYS 10 HZ2 LYS 10 27.061 8.580 -7.214
95 HZ3 LYS 10 HZ3 LYS 10 27.800 7.516 -6.114
96 H SER 11 HN SER 11 24.703 11.415 -3.717
97 HA SER 11 HA SER 11 22.039 10.364 -4.238
98 HB2 SER 11 HB2 SER 11 20.758 12.353 -4.203
99 HB3 SER 11 HB1 SER 11 21.680 12.403 -2.685
100 HG SER 11 HG SER 11 22.355 13.683 -5.142
101 H LEU 12 HN LEU 12 25.014 11.603 -5.092
102 HA LEU 12 HA LEU 12 26.008 11.722 -7.190
103 HB2 LEU 12 HB2 LEU 12 23.930 10.108 -7.772
104 HB3 LEU 12 HB1 LEU 12 23.390 11.526 -8.694
105 HG LEU 12 HG LEU 12 26.065 10.077 -8.980
106 HD11 LEU 12 HD11 LEU 12 25.225 9.409 -11.153
107 HD12 LEU 12 HD12 LEU 12 23.781 10.433 -10.967
108 HD13 LEU 12 HD13 LEU 12 23.986 8.989 -9.946
109 HD21 LEU 12 HD21 LEU 12 24.973 12.645 -10.202
110 HD22 LEU 12 HD22 LEU 12 26.232 11.685 -11.015
111 HD23 LEU 12 HD23 LEU 12 26.540 12.375 -9.407
112 H LEU 13 HN LEU 13 22.794 13.313 -7.052
113 HA LEU 13 HA LEU 13 23.338 15.462 -8.799
114 HB2 LEU 13 HB2 LEU 13 21.736 15.719 -6.230
115 HB3 LEU 13 HB1 LEU 13 21.511 16.603 -7.756
116 HG LEU 13 HG LEU 13 21.036 13.628 -7.275
117 HD11 LEU 13 HD11 LEU 13 19.289 15.208 -6.442
118 HD12 LEU 13 HD12 LEU 13 18.704 14.195 -7.783
119 HD13 LEU 13 HD13 LEU 13 19.156 15.891 -8.080
120 HD21 LEU 13 HD21 LEU 13 21.091 15.303 -9.819
121 HD22 LEU 13 HD22 LEU 13 20.131 13.807 -9.711
122 HD23 LEU 13 HD23 LEU 13 21.895 13.747 -9.499
Start of MODEL 18
1 H1 LEU 1 HT1 LEU 1 30.332 13.279 -0.550
2 H2 LEU 1 HT2 LEU 1 29.127 12.139 -0.179
3 H3 LEU 1 HT3 LEU 1 28.711 13.764 -0.451
4 HA LEU 1 HA LEU 1 28.125 12.511 -2.349
5 HB2 LEU 1 HB2 LEU 1 30.706 13.958 -3.033
6 HB3 LEU 1 HB1 LEU 1 29.213 13.833 -3.994
7 HG LEU 1 HG LEU 1 29.550 15.338 -1.360
8 HD11 LEU 1 HD11 LEU 1 30.566 16.470 -3.301
9 HD12 LEU 1 HD12 LEU 1 29.089 17.322 -2.793
10 HD13 LEU 1 HD13 LEU 1 29.059 16.267 -4.226
11 HD21 LEU 1 HD21 LEU 1 27.131 14.767 -3.125
12 HD22 LEU 1 HD22 LEU 1 27.178 16.151 -2.005
13 HD23 LEU 1 HD23 LEU 1 27.307 14.493 -1.376
14 H LEU 2 HN LEU 2 29.711 10.674 -0.706
15 HA LEU 2 HA LEU 2 31.694 9.531 -2.602
16 HB2 LEU 2 HB2 LEU 2 30.801 8.924 0.235
17 HB3 LEU 2 HB1 LEU 2 31.806 7.770 -0.667
18 HG LEU 2 HG LEU 2 33.546 9.459 -0.986
19 HD11 LEU 2 HD11 LEU 2 31.496 11.294 0.321
20 HD12 LEU 2 HD12 LEU 2 32.331 11.500 -1.238
21 HD13 LEU 2 HD13 LEU 2 33.231 11.694 0.284
22 HD21 LEU 2 HD21 LEU 2 33.465 8.142 1.153
23 HD22 LEU 2 HD22 LEU 2 32.575 9.486 1.907
24 HD23 LEU 2 HD23 LEU 2 34.246 9.729 1.343
25 HA PRO 3 HA PRO 3 28.804 6.652 -4.351
26 HB2 PRO 3 HB2 PRO 3 30.405 4.531 -5.031
27 HB3 PRO 3 HB1 PRO 3 30.481 6.108 -5.879
28 HG2 PRO 3 HG2 PRO 3 32.256 5.039 -3.692
29 HG3 PRO 3 HG1 PRO 3 32.703 5.884 -5.208
30 HD2 PRO 3 HD2 PRO 3 32.572 7.183 -2.797
31 HD3 PRO 3 HD1 PRO 3 32.180 7.998 -4.345
32 H ILE 4 HN ILE 4 29.294 6.617 -1.365
33 HA ILE 4 HA ILE 4 27.996 4.005 -0.866
34 HB ILE 4 HB ILE 4 29.687 3.770 1.192
35 HG12 ILE 4 HG12 ILE 4 31.460 5.138 -0.886
36 HG13 ILE 4 HG11 ILE 4 30.801 5.991 0.523
37 HG21 ILE 4 HG21 ILE 4 31.075 2.252 -0.128
38 HG22 ILE 4 HG22 ILE 4 30.601 3.066 -1.635
39 HG23 ILE 4 HG23 ILE 4 29.400 2.140 -0.706
40 HD11 ILE 4 HD1 ILE 4 31.875 4.055 1.926
41 HD12 ILE 4 HD2 ILE 4 32.945 5.300 1.248
42 HD13 ILE 4 HD3 ILE 4 32.811 3.719 0.451
43 H VAL 5 HN VAL 5 29.605 5.595 1.758
44 HA VAL 5 HA VAL 5 27.009 6.928 2.543
45 HB VAL 5 HB VAL 5 27.977 6.588 4.944
46 HG11 VAL 5 HG11 VAL 5 27.024 4.314 5.073
47 HG12 VAL 5 HG12 VAL 5 27.134 4.156 3.304
48 HG13 VAL 5 HG13 VAL 5 26.027 5.349 4.024
49 HG21 VAL 5 HG21 VAL 5 29.556 4.761 5.218
50 HG22 VAL 5 HG22 VAL 5 30.266 5.911 4.062
51 HG23 VAL 5 HG23 VAL 5 29.522 4.405 3.475
52 H GLY 6 HN GLY 6 27.895 8.764 1.280
53 HA2 GLY 6 HA1 GLY 6 30.298 10.086 2.239
54 HA3 GLY 6 HA2 GLY 6 29.085 10.756 1.129
55 H ASN 7 HN ASN 7 26.787 10.707 2.591
56 HA ASN 7 HA ASN 7 27.313 11.991 5.217
57 HB2 ASN 7 HB2 ASN 7 26.020 14.034 4.580
58 HB3 ASN 7 HB1 ASN 7 27.567 13.897 3.710
59 HD21 ASN 7 HD21 ASN 7 25.339 15.448 2.694
60 HD22 ASN 7 HD22 ASN 7 24.775 14.649 1.222
61 H LEU 8 HN LEU 8 25.237 10.686 2.731
62 HA LEU 8 HA LEU 8 23.446 9.547 4.670
63 HB2 LEU 8 HB2 LEU 8 22.738 12.029 4.638
64 HB3 LEU 8 HB1 LEU 8 22.185 11.732 2.977
65 HG LEU 8 HG LEU 8 20.900 9.667 4.064
66 HD11 LEU 8 HD11 LEU 8 21.348 11.516 6.455
67 HD12 LEU 8 HD12 LEU 8 21.827 9.809 6.321
68 HD13 LEU 8 HD13 LEU 8 20.108 10.246 6.388
69 HD21 LEU 8 HD21 LEU 8 20.018 12.557 4.496
70 HD22 LEU 8 HD22 LEU 8 18.944 11.138 4.501
71 HD23 LEU 8 HD23 LEU 8 19.795 11.606 3.009
72 H LEU 9 HN LEU 9 24.943 8.429 2.720
73 HA LEU 9 HA LEU 9 24.673 6.824 1.070
74 HB2 LEU 9 HB2 LEU 9 22.189 6.843 2.174
75 HB3 LEU 9 HB1 LEU 9 21.764 7.453 0.562
76 HG LEU 9 HG LEU 9 23.339 4.888 1.105
77 HD11 LEU 9 HD11 LEU 9 21.037 4.635 1.860
78 HD12 LEU 9 HD12 LEU 9 21.219 3.788 0.305
79 HD13 LEU 9 HD13 LEU 9 20.422 5.379 0.364
80 HD21 LEU 9 HD21 LEU 9 22.838 4.464 -1.318
81 HD22 LEU 9 HD22 LEU 9 23.881 5.885 -1.072
82 HD23 LEU 9 HD23 LEU 9 22.150 6.099 -1.433
83 H LYS 10 HN LYS 10 25.586 9.417 0.545
84 HA LYS 10 HA LYS 10 26.053 10.784 -1.265
85 HB2 LYS 10 HB2 LYS 10 26.204 8.435 -2.354
86 HB3 LYS 10 HB1 LYS 10 24.609 8.793 -3.052
87 HG2 LYS 10 HG2 LYS 10 25.512 10.835 -4.109
88 HG3 LYS 10 HG1 LYS 10 27.105 10.519 -3.381
89 HD2 LYS 10 HD2 LYS 10 27.065 8.255 -4.575
90 HD3 LYS 10 HD1 LYS 10 25.644 8.850 -5.467
91 HE2 LYS 10 HE2 LYS 10 27.542 9.333 -6.854
92 HE3 LYS 10 HE1 LYS 10 27.070 10.883 -6.116
93 HZ1 LYS 10 HZ1 LYS 10 29.063 11.023 -5.191
94 HZ2 LYS 10 HZ2 LYS 10 29.533 9.577 -5.951
95 HZ3 LYS 10 HZ3 LYS 10 28.849 9.541 -4.396
96 H SER 11 HN SER 11 25.098 12.262 -2.844
97 HA SER 11 HA SER 11 22.173 12.346 -3.077
98 HB2 SER 11 HB2 SER 11 22.490 13.256 -0.791
99 HB3 SER 11 HB1 SER 11 23.601 14.482 -1.442
100 HG SER 11 HG SER 11 21.933 15.405 -2.530
101 H LEU 12 HN LEU 12 23.842 12.104 -5.118
102 HA LEU 12 HA LEU 12 25.021 14.462 -6.169
103 HB2 LEU 12 HB2 LEU 12 25.221 12.063 -7.032
104 HB3 LEU 12 HB1 LEU 12 23.638 12.303 -7.800
105 HG LEU 12 HG LEU 12 24.752 14.481 -8.827
106 HD11 LEU 12 HD11 LEU 12 26.855 14.464 -7.594
107 HD12 LEU 12 HD12 LEU 12 27.207 14.087 -9.293
108 HD13 LEU 12 HD13 LEU 12 27.182 12.786 -8.082
109 HD21 LEU 12 HD21 LEU 12 25.542 11.681 -9.753
110 HD22 LEU 12 HD22 LEU 12 25.563 13.151 -10.758
111 HD23 LEU 12 HD23 LEU 12 24.019 12.515 -10.141
112 H LEU 13 HN LEU 13 21.673 13.385 -6.042
113 HA LEU 13 HA LEU 13 20.743 16.047 -6.732
114 HB2 LEU 13 HB2 LEU 13 21.398 14.795 -8.980
115 HB3 LEU 13 HB1 LEU 13 19.856 13.948 -8.734
116 HG LEU 13 HG LEU 13 20.230 16.977 -8.864
117 HD11 LEU 13 HD11 LEU 13 18.880 15.058 -10.813
118 HD12 LEU 13 HD12 LEU 13 20.509 15.740 -11.034
119 HD13 LEU 13 HD13 LEU 13 19.089 16.812 -11.018
120 HD21 LEU 13 HD21 LEU 13 18.361 16.585 -7.436
121 HD22 LEU 13 HD22 LEU 13 17.816 15.183 -8.388
122 HD23 LEU 13 HD23 LEU 13 17.639 16.829 -9.041
Start of MODEL 19
1 H1 LEU 1 HT1 LEU 1 30.526 8.349 6.763
2 H2 LEU 1 HT2 LEU 1 30.325 8.526 5.085
3 H3 LEU 1 HT3 LEU 1 29.993 9.827 6.127
4 HA LEU 1 HA LEU 1 32.036 10.293 5.148
5 HB2 LEU 1 HB2 LEU 1 32.753 9.049 7.824
6 HB3 LEU 1 HB1 LEU 1 33.416 10.517 7.069
7 HG LEU 1 HG LEU 1 30.574 10.148 8.116
8 HD11 LEU 1 HD11 LEU 1 32.811 12.000 9.043
9 HD12 LEU 1 HD12 LEU 1 32.420 10.444 9.815
10 HD13 LEU 1 HD13 LEU 1 31.224 11.763 9.814
11 HD21 LEU 1 HD21 LEU 1 31.946 12.413 6.610
12 HD22 LEU 1 HD22 LEU 1 30.512 12.691 7.629
13 HD23 LEU 1 HD23 LEU 1 30.407 11.607 6.225
14 H LEU 2 HN LEU 2 31.306 7.614 4.224
15 HA LEU 2 HA LEU 2 34.074 6.443 4.066
16 HB2 LEU 2 HB2 LEU 2 31.470 4.869 4.174
17 HB3 LEU 2 HB1 LEU 2 33.113 4.201 4.123
18 HG LEU 2 HG LEU 2 32.110 6.009 6.369
19 HD11 LEU 2 HD11 LEU 2 32.256 2.964 6.247
20 HD12 LEU 2 HD12 LEU 2 30.765 3.937 6.275
21 HD13 LEU 2 HD13 LEU 2 31.849 3.928 7.687
22 HD21 LEU 2 HD21 LEU 2 34.511 5.991 6.317
23 HD22 LEU 2 HD22 LEU 2 34.568 4.251 5.952
24 HD23 LEU 2 HD23 LEU 2 34.060 4.808 7.562
25 HA PRO 3 HA PRO 3 33.883 6.703 -0.373
26 HB2 PRO 3 HB2 PRO 3 34.096 3.679 -0.237
27 HB3 PRO 3 HB1 PRO 3 34.926 4.824 -1.343
28 HG2 PRO 3 HG2 PRO 3 36.177 3.828 0.808
29 HG3 PRO 3 HG1 PRO 3 36.423 5.523 0.289
30 HD2 PRO 3 HD2 PRO 3 34.942 4.488 2.674
31 HD3 PRO 3 HD1 PRO 3 35.661 6.107 2.394
32 H ILE 4 HN ILE 4 32.073 3.978 1.103
33 HA ILE 4 HA ILE 4 30.105 3.867 -1.025
34 HB ILE 4 HB ILE 4 29.724 2.894 1.837
35 HG12 ILE 4 HG12 ILE 4 31.162 1.541 -0.494
36 HG13 ILE 4 HG11 ILE 4 31.917 2.113 1.012
37 HG21 ILE 4 HG21 ILE 4 28.756 1.688 -0.788
38 HG22 ILE 4 HG22 ILE 4 27.809 2.898 0.110
39 HG23 ILE 4 HG23 ILE 4 28.190 1.332 0.861
40 HD11 ILE 4 HD1 ILE 4 31.588 -0.209 1.382
41 HD12 ILE 4 HD2 ILE 4 29.978 -0.191 0.625
42 HD13 ILE 4 HD3 ILE 4 30.219 0.553 2.226
43 H VAL 5 HN VAL 5 29.732 4.795 2.430
44 HA VAL 5 HA VAL 5 27.271 6.257 1.827
45 HB VAL 5 HB VAL 5 28.804 6.615 4.427
46 HG11 VAL 5 HG11 VAL 5 25.855 5.998 3.985
47 HG12 VAL 5 HG12 VAL 5 26.491 7.650 3.836
48 HG13 VAL 5 HG13 VAL 5 26.629 6.781 5.383
49 HG21 VAL 5 HG21 VAL 5 27.721 4.431 5.183
50 HG22 VAL 5 HG22 VAL 5 29.086 4.252 4.056
51 HG23 VAL 5 HG23 VAL 5 27.415 4.079 3.465
52 H GLY 6 HN GLY 6 28.108 8.349 3.907
53 HA2 GLY 6 HA1 GLY 6 30.055 10.078 3.492
54 HA3 GLY 6 HA2 GLY 6 29.255 10.263 1.915
55 H ASN 7 HN ASN 7 27.357 11.366 1.730
56 HA ASN 7 HA ASN 7 26.532 12.898 4.181
57 HB2 ASN 7 HB2 ASN 7 27.182 14.119 2.048
58 HB3 ASN 7 HB1 ASN 7 25.757 13.387 1.277
59 HD21 ASN 7 HD21 ASN 7 25.032 15.745 1.066
60 HD22 ASN 7 HD22 ASN 7 24.220 16.469 2.457
61 H LEU 8 HN LEU 8 25.810 10.332 4.331
62 HA LEU 8 HA LEU 8 23.959 9.015 4.740
63 HB2 LEU 8 HB2 LEU 8 22.158 11.285 3.814
64 HB3 LEU 8 HB1 LEU 8 21.770 9.946 4.912
65 HG LEU 8 HG LEU 8 23.639 12.292 5.466
66 HD11 LEU 8 HD11 LEU 8 21.130 11.315 6.892
67 HD12 LEU 8 HD12 LEU 8 21.152 12.627 5.688
68 HD13 LEU 8 HD13 LEU 8 22.038 12.810 7.222
69 HD21 LEU 8 HD21 LEU 8 24.725 10.412 6.478
70 HD22 LEU 8 HD22 LEU 8 23.176 9.683 6.969
71 HD23 LEU 8 HD23 LEU 8 23.771 11.150 7.786
72 H LEU 9 HN LEU 9 24.999 7.988 2.858
73 HA LEU 9 HA LEU 9 24.764 6.824 0.875
74 HB2 LEU 9 HB2 LEU 9 21.871 7.760 0.773
75 HB3 LEU 9 HB1 LEU 9 22.580 6.316 0.023
76 HG LEU 9 HG LEU 9 22.482 6.778 3.040
77 HD11 LEU 9 HD11 LEU 9 20.614 5.133 3.010
78 HD12 LEU 9 HD12 LEU 9 20.638 5.161 1.230
79 HD13 LEU 9 HD13 LEU 9 20.200 6.627 2.138
80 HD21 LEU 9 HD21 LEU 9 23.187 4.411 1.250
81 HD22 LEU 9 HD22 LEU 9 22.811 4.231 2.980
82 HD23 LEU 9 HD23 LEU 9 24.211 5.199 2.472
83 H LYS 10 HN LYS 10 25.190 9.872 1.121
84 HA LYS 10 HA LYS 10 25.324 11.706 -0.320
85 HB2 LYS 10 HB2 LYS 10 27.182 10.278 -1.057
86 HB3 LYS 10 HB1 LYS 10 26.106 9.451 -2.208
87 HG2 LYS 10 HG2 LYS 10 25.844 11.413 -3.545
88 HG3 LYS 10 HG1 LYS 10 26.492 12.470 -2.269
89 HD2 LYS 10 HD2 LYS 10 28.145 12.075 -4.098
90 HD3 LYS 10 HD1 LYS 10 28.721 11.473 -2.527
91 HE2 LYS 10 HE2 LYS 10 27.254 9.644 -4.462
92 HE3 LYS 10 HE1 LYS 10 29.006 9.922 -4.599
93 HZ1 LYS 10 HZ1 LYS 10 28.609 9.455 -1.939
94 HZ2 LYS 10 HZ2 LYS 10 29.209 8.339 -3.073
95 HZ3 LYS 10 HZ3 LYS 10 27.555 8.356 -2.686
96 H SER 11 HN SER 11 24.559 9.641 -3.074
97 HA SER 11 HA SER 11 22.939 9.955 -4.715
98 HB2 SER 11 HB2 SER 11 20.614 9.798 -3.868
99 HB3 SER 11 HB1 SER 11 21.691 8.629 -3.073
100 HG SER 11 HG SER 11 20.681 11.095 -2.092
101 H LEU 12 HN LEU 12 24.221 12.428 -3.497
102 HA LEU 12 HA LEU 12 23.972 14.730 -3.662
103 HB2 LEU 12 HB2 LEU 12 21.838 14.185 -5.752
104 HB3 LEU 12 HB1 LEU 12 22.971 15.554 -5.656
105 HG LEU 12 HG LEU 12 23.685 12.641 -6.215
106 HD11 LEU 12 HD11 LEU 12 24.385 13.543 -8.416
107 HD12 LEU 12 HD12 LEU 12 23.843 15.165 -7.923
108 HD13 LEU 12 HD13 LEU 12 22.658 13.851 -8.117
109 HD21 LEU 12 HD21 LEU 12 25.383 15.123 -5.727
110 HD22 LEU 12 HD22 LEU 12 25.997 13.736 -6.660
111 HD23 LEU 12 HD23 LEU 12 25.518 13.522 -4.961
112 H LEU 13 HN LEU 13 22.613 13.689 -1.539
113 HA LEU 13 HA LEU 13 19.841 14.231 -1.398
114 HB2 LEU 13 HB2 LEU 13 20.930 13.025 0.378
115 HB3 LEU 13 HB1 LEU 13 22.041 14.372 0.699
116 HG LEU 13 HG LEU 13 20.248 15.747 1.576
117 HD11 LEU 13 HD11 LEU 13 17.887 14.681 1.719
118 HD12 LEU 13 HD12 LEU 13 18.455 13.549 0.469
119 HD13 LEU 13 HD13 LEU 13 18.402 15.296 0.132
120 HD21 LEU 13 HD21 LEU 13 19.795 12.921 2.626
121 HD22 LEU 13 HD22 LEU 13 19.608 14.452 3.517
122 HD23 LEU 13 HD23 LEU 13 21.227 13.900 3.025
Start of MODEL 20
1 H1 LEU 1 HT1 LEU 1 33.444 12.417 -1.299
2 H2 LEU 1 HT2 LEU 1 33.017 13.120 0.186
3 H3 LEU 1 HT3 LEU 1 32.232 13.599 -1.241
4 HA LEU 1 HA LEU 1 31.288 11.836 0.494
5 HB2 LEU 1 HB2 LEU 1 29.643 11.327 -1.174
6 HB3 LEU 1 HB1 LEU 1 30.148 13.008 -1.435
7 HG LEU 1 HG LEU 1 31.086 10.567 -3.021
8 HD11 LEU 1 HD11 LEU 1 28.752 11.448 -3.435
9 HD12 LEU 1 HD12 LEU 1 29.834 11.546 -4.845
10 HD13 LEU 1 HD13 LEU 1 29.484 13.006 -3.889
11 HD21 LEU 1 HD21 LEU 1 32.966 12.033 -3.007
12 HD22 LEU 1 HD22 LEU 1 31.945 13.490 -3.030
13 HD23 LEU 1 HD23 LEU 1 32.097 12.482 -4.488
14 H LEU 2 HN LEU 2 30.999 9.616 0.687
15 HA LEU 2 HA LEU 2 33.265 8.021 -0.436
16 HB2 LEU 2 HB2 LEU 2 31.361 7.745 1.903
17 HB3 LEU 2 HB1 LEU 2 32.169 6.293 1.272
18 HG LEU 2 HG LEU 2 34.369 7.321 1.624
19 HD11 LEU 2 HD11 LEU 2 32.705 9.729 2.466
20 HD12 LEU 2 HD12 LEU 2 33.934 9.644 1.182
21 HD13 LEU 2 HD13 LEU 2 34.424 9.549 2.889
22 HD21 LEU 2 HD21 LEU 2 34.291 7.517 4.117
23 HD22 LEU 2 HD22 LEU 2 33.361 6.120 3.521
24 HD23 LEU 2 HD23 LEU 2 32.515 7.601 4.034
25 HA PRO 3 HA PRO 3 30.567 5.958 -3.283
26 HB2 PRO 3 HB2 PRO 3 31.765 3.522 -3.601
27 HB3 PRO 3 HB1 PRO 3 32.525 5.042 -4.179
28 HG2 PRO 3 HG2 PRO 3 33.045 3.506 -1.637
29 HG3 PRO 3 HG1 PRO 3 34.217 4.204 -2.801
30 HD2 PRO 3 HD2 PRO 3 33.528 5.484 -0.470
31 HD3 PRO 3 HD1 PRO 3 33.958 6.377 -1.967
32 H ILE 4 HN ILE 4 30.105 5.666 -0.221
33 HA ILE 4 HA ILE 4 28.015 3.605 -0.502
34 HB ILE 4 HB ILE 4 28.785 2.373 1.587
35 HG12 ILE 4 HG12 ILE 4 31.340 3.939 0.986
36 HG13 ILE 4 HG11 ILE 4 30.365 4.017 2.470
37 HG21 ILE 4 HG21 ILE 4 29.134 1.596 -0.848
38 HG22 ILE 4 HG22 ILE 4 30.197 0.870 0.375
39 HG23 ILE 4 HG23 ILE 4 30.810 2.166 -0.678
40 HD11 ILE 4 HD1 ILE 4 30.819 1.463 2.675
41 HD12 ILE 4 HD2 ILE 4 32.159 2.575 3.040
42 HD13 ILE 4 HD3 ILE 4 32.103 1.738 1.472
43 H VAL 5 HN VAL 5 29.803 5.823 1.686
44 HA VAL 5 HA VAL 5 27.178 6.840 2.659
45 HB VAL 5 HB VAL 5 29.296 5.814 4.607
46 HG11 VAL 5 HG11 VAL 5 28.127 7.749 5.489
47 HG12 VAL 5 HG12 VAL 5 27.435 6.308 6.266
48 HG13 VAL 5 HG13 VAL 5 26.558 7.114 4.944
49 HG21 VAL 5 HG21 VAL 5 26.578 4.707 3.770
50 HG22 VAL 5 HG22 VAL 5 27.433 4.193 5.242
51 HG23 VAL 5 HG23 VAL 5 28.159 3.899 3.647
52 H GLY 6 HN GLY 6 27.920 8.691 1.435
53 HA2 GLY 6 HA1 GLY 6 30.362 10.057 2.308
54 HA3 GLY 6 HA2 GLY 6 29.158 10.652 1.147
55 H ASN 7 HN ASN 7 26.832 10.609 2.603
56 HA ASN 7 HA ASN 7 27.300 12.019 5.170
57 HB2 ASN 7 HB2 ASN 7 27.581 13.832 3.503
58 HB3 ASN 7 HB1 ASN 7 25.994 13.431 2.802
59 HD21 ASN 7 HD21 ASN 7 27.641 15.071 5.447
60 HD22 ASN 7 HD22 ASN 7 26.176 15.652 6.246
61 H LEU 8 HN LEU 8 25.258 10.682 2.669
62 HA LEU 8 HA LEU 8 23.430 9.543 4.572
63 HB2 LEU 8 HB2 LEU 8 22.719 12.015 4.577
64 HB3 LEU 8 HB1 LEU 8 22.238 11.775 2.883
65 HG LEU 8 HG LEU 8 20.892 9.687 3.847
66 HD11 LEU 8 HD11 LEU 8 20.005 10.191 6.148
67 HD12 LEU 8 HD12 LEU 8 21.230 11.469 6.308
68 HD13 LEU 8 HD13 LEU 8 21.731 9.770 6.148
69 HD21 LEU 8 HD21 LEU 8 19.849 11.668 2.803
70 HD22 LEU 8 HD22 LEU 8 20.013 12.572 4.327
71 HD23 LEU 8 HD23 LEU 8 18.928 11.163 4.240
72 H LEU 9 HN LEU 9 24.898 8.348 2.717
73 HA LEU 9 HA LEU 9 24.741 6.873 0.948
74 HB2 LEU 9 HB2 LEU 9 22.410 6.478 2.069
75 HB3 LEU 9 HB1 LEU 9 21.766 7.454 0.731
76 HG LEU 9 HG LEU 9 23.214 5.794 -0.786
77 HD11 LEU 9 HD11 LEU 9 23.220 3.485 0.181
78 HD12 LEU 9 HD12 LEU 9 22.728 4.162 1.750
79 HD13 LEU 9 HD13 LEU 9 24.310 4.583 1.056
80 HD21 LEU 9 HD21 LEU 9 20.775 5.972 -0.921
81 HD22 LEU 9 HD22 LEU 9 20.592 5.015 0.568
82 HD23 LEU 9 HD23 LEU 9 21.238 4.253 -0.905
83 H LYS 10 HN LYS 10 25.423 9.585 0.537
84 HA LYS 10 HA LYS 10 25.734 11.073 -1.213
85 HB2 LYS 10 HB2 LYS 10 24.565 8.944 -3.039
86 HB3 LYS 10 HB1 LYS 10 25.721 10.231 -3.454
87 HG2 LYS 10 HG2 LYS 10 27.319 9.173 -1.755
88 HG3 LYS 10 HG1 LYS 10 26.204 7.787 -1.705
89 HD2 LYS 10 HD2 LYS 10 27.638 8.874 -4.171
90 HD3 LYS 10 HD1 LYS 10 27.994 7.348 -3.328
91 HE2 LYS 10 HE2 LYS 10 25.561 8.073 -4.991
92 HE3 LYS 10 HE1 LYS 10 26.641 6.670 -5.150
93 HZ1 LYS 10 HZ1 LYS 10 24.900 5.712 -4.073
94 HZ2 LYS 10 HZ2 LYS 10 24.444 7.133 -3.262
95 HZ3 LYS 10 HZ3 LYS 10 25.776 6.231 -2.717
96 H SER 11 HN SER 11 24.639 12.507 -2.717
97 HA SER 11 HA SER 11 21.768 12.259 -3.115
98 HB2 SER 11 HB2 SER 11 21.042 14.096 -1.693
99 HB3 SER 11 HB1 SER 11 21.852 12.875 -0.689
100 HG SER 11 HG SER 11 23.061 15.221 -1.770
101 H LEU 12 HN LEU 12 24.803 13.464 -3.761
102 HA LEU 12 HA LEU 12 25.605 15.046 -5.260
103 HB2 LEU 12 HB2 LEU 12 22.870 14.926 -6.574
104 HB3 LEU 12 HB1 LEU 12 24.452 15.219 -7.335
105 HG LEU 12 HG LEU 12 23.507 12.617 -6.052
106 HD11 LEU 12 HD11 LEU 12 24.156 13.391 -8.932
107 HD12 LEU 12 HD12 LEU 12 22.534 13.072 -8.273
108 HD13 LEU 12 HD13 LEU 12 23.727 11.755 -8.378
109 HD21 LEU 12 HD21 LEU 12 25.734 11.788 -7.107
110 HD22 LEU 12 HD22 LEU 12 25.850 12.733 -5.606
111 HD23 LEU 12 HD23 LEU 12 26.197 13.505 -7.172
112 H LEU 13 HN LEU 13 24.615 16.116 -2.871
113 HA LEU 13 HA LEU 13 23.900 18.125 -1.952
114 HB2 LEU 13 HB2 LEU 13 24.444 19.373 -4.668
115 HB3 LEU 13 HB1 LEU 13 24.620 20.104 -3.055
116 HG LEU 13 HG LEU 13 26.305 17.822 -4.184
117 HD11 LEU 13 HD11 LEU 13 26.810 20.028 -5.177
118 HD12 LEU 13 HD12 LEU 13 28.127 19.504 -4.102
119 HD13 LEU 13 HD13 LEU 13 26.964 20.733 -3.550
120 HD21 LEU 13 HD21 LEU 13 26.231 19.215 -1.474
121 HD22 LEU 13 HD22 LEU 13 27.679 18.358 -2.056
122 HD23 LEU 13 HD23 LEU 13 26.156 17.470 -1.820