Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
644931 | 6v1n RC | 30690 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 28.031 0.091 37.070
2 H2 ALA 1 HT2 ALA 1 27.758 1.281 38.251
3 H3 ALA 1 HT3 ALA 1 28.769 1.616 36.928
4 HA ALA 1 HA ALA 1 26.283 0.761 35.980
5 HB1 ALA 1 HB1 ALA 1 26.214 3.127 37.955
6 HB2 ALA 1 HB2 ALA 1 25.372 1.547 38.177
7 HB3 ALA 1 HB3 ALA 1 24.859 2.665 36.856
8 H MET 2 HN MET 2 28.588 1.336 34.649
9 HA MET 2 HA MET 2 28.138 4.088 33.657
10 HB2 MET 2 HB2 MET 2 30.639 2.319 33.724
11 HB3 MET 2 HB1 MET 2 30.462 3.673 32.555
12 HG2 MET 2 HG2 MET 2 30.286 3.958 35.618
13 HG3 MET 2 HG1 MET 2 31.765 4.252 34.652
14 HE1 MET 2 HE1 MET 2 30.623 6.172 36.703
15 HE2 MET 2 HE2 MET 2 30.703 7.776 35.894
16 HE3 MET 2 HE3 MET 2 32.049 6.600 35.693
17 H ARG 3 HN ARG 3 27.127 4.183 31.907
18 HA ARG 3 HA ARG 3 27.303 1.971 30.056
19 HB2 ARG 3 HB2 ARG 3 24.991 2.768 30.462
20 HB3 ARG 3 HB1 ARG 3 25.576 4.473 30.325
21 HG2 ARG 3 HG2 ARG 3 26.001 4.265 27.966
22 HG3 ARG 3 HG1 ARG 3 25.746 2.485 27.990
23 HD2 ARG 3 HD2 ARG 3 23.515 4.528 28.662
24 HD3 ARG 3 HD1 ARG 3 23.779 3.813 27.009
25 HE ARG 3 HE ARG 3 23.649 1.677 28.939
26 HH11 ARG 3 HH11 ARG 3 21.672 4.189 27.373
27 HH12 ARG 3 HH12 ARG 3 20.180 3.323 27.510
28 HH21 ARG 3 HH21 ARG 3 21.619 0.491 29.132
29 HH22 ARG 3 HH22 ARG 3 20.148 1.180 28.531
30 H LEU 4 HN LEU 4 27.790 5.266 30.777
31 HA LEU 4 HA LEU 4 28.265 6.458 28.528
32 HB2 LEU 4 HB2 LEU 4 29.836 6.825 31.148
33 HB3 LEU 4 HB1 LEU 4 29.827 8.032 29.810
34 HG LEU 4 HG LEU 4 27.936 7.629 32.012
35 HD11 LEU 4 HD11 LEU 4 27.379 9.934 30.244
36 HD12 LEU 4 HD12 LEU 4 29.144 9.766 30.557
37 HD13 LEU 4 HD13 LEU 4 27.991 9.899 31.939
38 HD21 LEU 4 HD21 LEU 4 26.243 6.600 30.789
39 HD22 LEU 4 HD22 LEU 4 26.782 7.278 29.204
40 HD23 LEU 4 HD23 LEU 4 25.892 8.317 30.374
41 H SER 5 HN SER 5 29.259 5.513 26.890
42 HA SER 5 HA SER 5 31.869 4.268 27.317
43 HB2 SER 5 HB2 SER 5 31.517 3.568 24.795
44 HB3 SER 5 HB1 SER 5 30.512 2.755 26.059
45 HG SER 5 HG SER 5 28.839 3.603 25.209
46 H DPP 6 HN DPP 6 30.637 5.964 24.307
47 HA DPP 6 HA DPP 6 33.235 7.133 23.946
48 HB2 DPP 6 HB2 DPP 6 31.312 6.569 22.057
49 HB3 DPP 6 HB3 DPP 6 32.451 7.940 21.813
50 H PHE 7 HN PHE 7 32.003 7.774 26.565
51 HA PHE 7 HA PHE 7 30.490 9.990 26.194
52 HB2 PHE 7 HB2 PHE 7 31.190 8.740 28.611
53 HB3 PHE 7 HB1 PHE 7 31.375 10.558 28.714
54 HD1 PHE 7 HD1 PHE 7 29.132 7.873 27.819
55 HD2 PHE 7 HD2 PHE 7 29.649 11.993 28.265
56 HE1 PHE 7 HE1 PHE 7 26.748 8.216 27.598
57 HE2 PHE 7 HE2 PHE 7 27.309 12.343 28.014
58 HZ PHE 7 HZ PHE 7 25.926 10.446 27.747
59 H PHE 8 HN PHE 8 30.337 11.688 26.540
60 HA PHE 8 HA PHE 8 30.513 13.636 26.605
61 HB2 PHE 8 HB2 PHE 8 33.325 13.100 27.634
62 HB3 PHE 8 HB1 PHE 8 32.944 14.796 27.048
63 HD1 PHE 8 HD1 PHE 8 32.067 12.163 29.390
64 HD2 PHE 8 HD2 PHE 8 31.132 15.898 27.701
65 HE1 PHE 8 HE1 PHE 8 30.076 12.245 30.755
66 HE2 PHE 8 HE2 PHE 8 29.192 16.078 29.043
67 HZ PHE 8 HZ PHE 8 28.634 14.250 30.622
68 H ARG 9 HN ARG 9 30.505 15.117 25.688
69 HA ARG 9 HA ARG 9 30.135 16.233 24.092
70 HB2 ARG 9 HB2 ARG 9 32.823 15.652 22.814
71 HB3 ARG 9 HB1 ARG 9 31.833 17.138 22.601
72 HG2 ARG 9 HG2 ARG 9 32.865 18.123 24.361
73 HG3 ARG 9 HG1 ARG 9 32.300 16.803 25.457
74 HD2 ARG 9 HD2 ARG 9 34.914 16.851 23.793
75 HD3 ARG 9 HD1 ARG 9 34.736 16.842 25.609
76 HE ARG 9 HE ARG 9 33.287 14.590 24.544
77 HH11 ARG 9 HH11 ARG 9 36.623 15.872 24.876
78 HH12 ARG 9 HH12 ARG 9 37.382 14.317 24.955
79 HH21 ARG 9 HH21 ARG 9 34.341 12.479 24.654
80 HH22 ARG 9 HH22 ARG 9 36.062 12.354 24.827
81 H GLN 10 HN GLN 10 28.801 14.114 23.965
82 HA GLN 10 HA GLN 10 28.551 13.692 21.257
83 HB2 GLN 10 HB2 GLN 10 30.536 12.415 21.384
84 HB3 GLN 10 HB1 GLN 10 30.216 12.095 23.127
85 HG2 GLN 10 HG2 GLN 10 28.540 10.366 22.519
86 HG3 GLN 10 HG1 GLN 10 28.767 10.692 20.764
87 HE21 GLN 10 HE21 GLN 10 29.601 8.282 22.891
88 H PHE 11 HN PHE 11 27.403 13.844 24.322
89 HA PHE 11 HA PHE 11 25.093 12.204 23.664
90 HB2 PHE 11 HB2 PHE 11 26.573 12.528 26.238
91 HB3 PHE 11 HB1 PHE 11 25.118 11.454 25.997
92 HD1 PHE 11 HD1 PHE 11 28.491 12.296 24.974
93 HD2 PHE 11 HD2 PHE 11 25.471 9.333 25.342
94 HE1 PHE 11 HE1 PHE 11 30.085 10.564 24.489
95 HE2 PHE 11 HE2 PHE 11 27.081 7.570 24.895
96 HZ PHE 11 HZ PHE 11 29.422 8.161 24.449
97 H ILE 12 HN ILE 12 26.802 14.422 25.467
98 HA ILE 12 HA ILE 12 24.641 15.540 26.796
99 HB ILE 12 HB ILE 12 27.459 16.467 26.697
100 HG12 ILE 12 HG12 ILE 12 27.658 14.649 28.618
101 HG13 ILE 12 HG11 ILE 12 26.521 13.853 27.529
102 HG21 ILE 12 HG21 ILE 12 27.075 17.015 29.093
103 HG22 ILE 12 HG22 ILE 12 25.487 16.159 29.074
104 HG23 ILE 12 HG23 ILE 12 25.701 17.684 28.135
105 HD11 ILE 12 HD11 ILE 12 29.295 14.765 26.925
106 HD12 ILE 12 HD12 ILE 12 28.143 14.630 25.587
107 HD13 ILE 12 HD13 ILE 12 28.545 13.175 26.586
108 H LEU 13 HN LEU 13 26.828 15.628 24.469
109 HA LEU 13 HA LEU 13 26.581 18.392 23.848
110 HB2 LEU 13 HB2 LEU 13 28.334 16.084 24.335
111 HB3 LEU 13 HB1 LEU 13 28.870 17.182 22.935
112 HG LEU 13 HG LEU 13 29.672 18.780 24.385
113 HD11 LEU 13 HD11 LEU 13 27.507 19.814 24.769
114 HD12 LEU 13 HD12 LEU 13 28.285 19.633 26.387
115 HD13 LEU 13 HD13 LEU 13 26.991 18.484 25.870
116 HD21 LEU 13 HD21 LEU 13 29.446 16.272 25.848
117 HD22 LEU 13 HD22 LEU 13 29.258 17.637 27.008
118 HD23 LEU 13 HD23 LEU 13 30.727 17.528 25.961
119 H GLN 14 HN GLN 14 25.763 15.354 22.922
120 HA GLN 14 HA GLN 14 26.377 15.025 20.309
121 HB2 GLN 14 HB2 GLN 14 23.967 13.999 20.228
122 HB3 GLN 14 HB1 GLN 14 25.163 13.292 21.408
123 HG2 GLN 14 HG2 GLN 14 24.330 14.847 23.196
124 HG3 GLN 14 HG1 GLN 14 23.100 15.501 22.043
125 HE21 GLN 14 HE21 GLN 14 21.311 14.723 23.331
126 HE22 GLN 14 HE22 GLN 14 20.877 13.048 23.366
127 H ARG 15 HN ARG 15 24.023 17.215 21.725
128 HA ARG 15 HA ARG 15 22.764 17.637 19.214
129 HB2 ARG 15 HB2 ARG 15 21.240 19.087 20.430
130 HB3 ARG 15 HB1 ARG 15 21.539 17.605 21.413
131 HG2 ARG 15 HG2 ARG 15 23.373 18.865 22.646
132 HG3 ARG 15 HG1 ARG 15 22.875 20.350 21.771
133 HD2 ARG 15 HD2 ARG 15 20.556 20.174 22.763
134 HD3 ARG 15 HD1 ARG 15 21.082 18.692 23.681
135 HE ARG 15 HE ARG 15 22.936 20.838 24.214
136 HH11 ARG 15 HH11 ARG 15 19.567 19.823 24.765
137 HH12 ARG 15 HH12 ARG 15 19.405 20.639 26.284
138 HH21 ARG 15 HH21 ARG 15 22.717 21.949 26.283
139 HH22 ARG 15 HH22 ARG 15 21.227 21.868 27.161
140 H LYS 16 HN LYS 16 25.449 18.969 20.941
141 HA LYS 16 HA LYS 16 25.129 21.543 19.568
142 HB2 LYS 16 HB2 LYS 16 27.346 20.755 21.534
143 HB3 LYS 16 HB1 LYS 16 26.862 22.420 21.039
144 HG2 LYS 16 HG2 LYS 16 24.609 22.012 22.156
145 HG3 LYS 16 HG1 LYS 16 25.256 20.442 22.748
146 HD2 LYS 16 HD2 LYS 16 25.561 21.947 24.575
147 HD3 LYS 16 HD1 LYS 16 27.187 21.811 23.822
148 HE2 LYS 16 HE2 LYS 16 26.872 23.989 22.654
149 HE3 LYS 16 HE1 LYS 16 25.184 24.113 23.304
150 HZ1 LYS 16 HZ1 LYS 16 27.048 23.621 25.387
151 HZ2 LYS 16 HZ2 LYS 16 25.972 24.916 25.167
152 HZ3 LYS 16 HZ3 LYS 16 27.520 24.974 24.476
153 H LYS 17 HN LYS 17 26.867 18.637 20.031
154 HA LYS 17 HA LYS 17 28.876 19.362 18.033
155 HB2 LYS 17 HB2 LYS 17 28.383 16.867 19.740
156 HB3 LYS 17 HB1 LYS 17 29.670 16.934 18.479
157 HG2 LYS 17 HG2 LYS 17 29.459 18.866 20.869
158 HG3 LYS 17 HG1 LYS 17 30.476 17.386 20.844
159 HD2 LYS 17 HD2 LYS 17 31.713 18.307 18.842
160 HD3 LYS 17 HD1 LYS 17 30.729 19.808 18.952
161 HE2 LYS 17 HE2 LYS 17 31.643 20.247 21.252
162 HE3 LYS 17 HE1 LYS 17 32.633 18.732 21.142
163 HZ1 LYS 17 HZ1 LYS 17 34.146 20.056 20.283
164 HZ2 LYS 17 HZ2 LYS 17 33.057 21.321 19.973
165 HZ3 LYS 17 HZ3 LYS 17 33.226 20.052 18.856
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 28.580 -0.185 36.403
2 H2 ALA 1 HT2 ALA 1 27.676 0.117 34.997
3 H3 ALA 1 HT3 ALA 1 26.926 -0.566 36.360
4 HA ALA 1 HA ALA 1 26.302 1.454 36.884
5 HB1 ALA 1 HB1 ALA 1 29.326 1.831 37.352
6 HB2 ALA 1 HB2 ALA 1 28.166 1.109 38.529
7 HB3 ALA 1 HB3 ALA 1 28.029 2.853 38.085
8 H MET 2 HN MET 2 29.285 1.716 34.834
9 HA MET 2 HA MET 2 28.125 4.191 33.718
10 HB2 MET 2 HB2 MET 2 30.928 3.007 33.340
11 HB3 MET 2 HB1 MET 2 30.331 4.569 32.684
12 HG2 MET 2 HG2 MET 2 30.654 3.873 35.670
13 HG3 MET 2 HG1 MET 2 31.788 4.867 34.699
14 HE1 MET 2 HE1 MET 2 30.477 5.569 37.464
15 HE2 MET 2 HE2 MET 2 30.126 7.319 37.255
16 HE3 MET 2 HE3 MET 2 31.651 6.625 36.605
17 H ARG 3 HN ARG 3 27.079 4.039 31.990
18 HA ARG 3 HA ARG 3 27.524 1.797 30.255
19 HB2 ARG 3 HB2 ARG 3 25.160 2.433 30.664
20 HB3 ARG 3 HB1 ARG 3 25.596 4.159 30.361
21 HG2 ARG 3 HG2 ARG 3 25.981 3.778 28.022
22 HG3 ARG 3 HG1 ARG 3 25.872 1.990 28.209
23 HD2 ARG 3 HD2 ARG 3 23.504 3.899 28.801
24 HD3 ARG 3 HD1 ARG 3 23.766 3.066 27.204
25 HE ARG 3 HE ARG 3 23.896 1.072 29.250
26 HH11 ARG 3 HH11 ARG 3 21.614 3.407 27.827
27 HH12 ARG 3 HH12 ARG 3 20.203 2.451 28.132
28 HH21 ARG 3 HH21 ARG 3 21.978 -0.232 29.665
29 HH22 ARG 3 HH22 ARG 3 20.414 0.345 29.194
30 H LEU 4 HN LEU 4 27.632 5.174 30.696
31 HA LEU 4 HA LEU 4 28.039 6.311 28.443
32 HB2 LEU 4 HB2 LEU 4 29.640 6.818 31.022
33 HB3 LEU 4 HB1 LEU 4 29.548 7.991 29.664
34 HG LEU 4 HG LEU 4 27.668 7.467 31.872
35 HD11 LEU 4 HD11 LEU 4 27.747 9.732 31.901
36 HD12 LEU 4 HD12 LEU 4 27.021 9.824 30.253
37 HD13 LEU 4 HD13 LEU 4 28.808 9.695 30.442
38 HD21 LEU 4 HD21 LEU 4 26.581 7.186 29.033
39 HD22 LEU 4 HD22 LEU 4 25.641 8.163 30.216
40 HD23 LEU 4 HD23 LEU 4 26.028 6.440 30.583
41 H SER 5 HN SER 5 29.052 5.350 26.798
42 HA SER 5 HA SER 5 31.714 4.237 27.192
43 HB2 SER 5 HB2 SER 5 29.987 2.904 25.893
44 HB3 SER 5 HB1 SER 5 29.996 4.204 24.639
45 HG SER 5 HG SER 5 32.038 2.415 25.413
46 H DPP 6 HN DPP 6 30.499 5.991 24.189
47 HA DPP 6 HA DPP 6 33.086 7.198 23.918
48 HB2 DPP 6 HB2 DPP 6 31.206 6.666 21.971
49 HB3 DPP 6 HB3 DPP 6 32.351 8.042 21.785
50 H PHE 7 HN PHE 7 31.758 7.753 26.516
51 HA PHE 7 HA PHE 7 30.251 9.977 26.162
52 HB2 PHE 7 HB2 PHE 7 30.892 8.656 28.555
53 HB3 PHE 7 HB1 PHE 7 31.061 10.470 28.720
54 HD1 PHE 7 HD1 PHE 7 28.837 7.795 27.702
55 HD2 PHE 7 HD2 PHE 7 29.350 11.912 28.253
56 HE1 PHE 7 HE1 PHE 7 26.460 8.152 27.433
57 HE2 PHE 7 HE2 PHE 7 27.015 12.267 27.951
58 HZ PHE 7 HZ PHE 7 25.641 10.377 27.611
59 H PHE 8 HN PHE 8 30.083 11.662 26.549
60 HA PHE 8 HA PHE 8 30.252 13.607 26.679
61 HB2 PHE 8 HB2 PHE 8 33.029 13.046 27.783
62 HB3 PHE 8 HB1 PHE 8 32.668 14.757 27.231
63 HD1 PHE 8 HD1 PHE 8 31.723 12.065 29.472
64 HD2 PHE 8 HD2 PHE 8 30.829 15.839 27.850
65 HE1 PHE 8 HE1 PHE 8 29.696 12.111 30.780
66 HE2 PHE 8 HE2 PHE 8 28.848 15.981 29.139
67 HZ PHE 8 HZ PHE 8 28.251 14.113 30.655
68 H ARG 9 HN ARG 9 30.268 15.114 25.807
69 HA ARG 9 HA ARG 9 29.947 16.277 24.234
70 HB2 ARG 9 HB2 ARG 9 32.682 15.741 23.039
71 HB3 ARG 9 HB1 ARG 9 31.697 17.228 22.829
72 HG2 ARG 9 HG2 ARG 9 32.658 18.166 24.654
73 HG3 ARG 9 HG1 ARG 9 32.053 16.817 25.689
74 HD2 ARG 9 HD2 ARG 9 34.733 16.913 24.135
75 HD3 ARG 9 HD1 ARG 9 34.480 16.854 25.943
76 HE ARG 9 HE ARG 9 33.085 14.629 24.742
77 HH11 ARG 9 HH11 ARG 9 36.389 15.907 25.323
78 HH12 ARG 9 HH12 ARG 9 37.148 14.353 25.393
79 HH21 ARG 9 HH21 ARG 9 34.141 12.519 24.840
80 HH22 ARG 9 HH22 ARG 9 35.847 12.391 25.114
81 H GLN 10 HN GLN 10 28.623 14.160 24.000
82 HA GLN 10 HA GLN 10 28.466 13.814 21.274
83 HB2 GLN 10 HB2 GLN 10 30.451 12.538 21.429
84 HB3 GLN 10 HB1 GLN 10 30.075 12.167 23.152
85 HG2 GLN 10 HG2 GLN 10 28.424 10.455 22.439
86 HG3 GLN 10 HG1 GLN 10 28.710 10.831 20.702
87 HE21 GLN 10 HE21 GLN 10 29.473 8.362 22.790
88 H PHE 11 HN PHE 11 27.219 13.868 24.306
89 HA PHE 11 HA PHE 11 24.941 12.235 23.524
90 HB2 PHE 11 HB2 PHE 11 26.331 12.501 26.157
91 HB3 PHE 11 HB1 PHE 11 24.891 11.426 25.841
92 HD1 PHE 11 HD1 PHE 11 28.290 12.310 24.936
93 HD2 PHE 11 HD2 PHE 11 25.282 9.320 25.171
94 HE1 PHE 11 HE1 PHE 11 29.906 10.599 24.454
95 HE2 PHE 11 HE2 PHE 11 26.915 7.578 24.730
96 HZ PHE 11 HZ PHE 11 29.260 8.192 24.349
97 H ILE 12 HN ILE 12 26.575 14.407 25.448
98 HA ILE 12 HA ILE 12 24.366 15.481 26.731
99 HB ILE 12 HB ILE 12 27.181 16.425 26.752
100 HG12 ILE 12 HG12 ILE 12 27.332 14.553 28.623
101 HG13 ILE 12 HG11 ILE 12 26.232 13.782 27.478
102 HG21 ILE 12 HG21 ILE 12 25.167 16.015 29.077
103 HG22 ILE 12 HG22 ILE 12 25.325 17.564 28.164
104 HG23 ILE 12 HG23 ILE 12 26.716 16.938 29.128
105 HD11 ILE 12 HD11 ILE 12 29.019 14.722 26.988
106 HD12 ILE 12 HD12 ILE 12 27.909 14.626 25.611
107 HD13 ILE 12 HD13 ILE 12 28.286 13.142 26.577
108 H LEU 13 HN LEU 13 26.634 15.649 24.484
109 HA LEU 13 HA LEU 13 26.391 18.431 23.942
110 HB2 LEU 13 HB2 LEU 13 28.143 16.120 24.421
111 HB3 LEU 13 HB1 LEU 13 28.720 17.262 23.076
112 HG LEU 13 HG LEU 13 29.459 18.821 24.599
113 HD11 LEU 13 HD11 LEU 13 27.275 19.829 24.944
114 HD12 LEU 13 HD12 LEU 13 27.999 19.597 26.581
115 HD13 LEU 13 HD13 LEU 13 26.731 18.460 25.982
116 HD21 LEU 13 HD21 LEU 13 29.210 16.264 25.965
117 HD22 LEU 13 HD22 LEU 13 28.962 17.585 27.166
118 HD23 LEU 13 HD23 LEU 13 30.469 17.530 26.170
119 H GLN 14 HN GLN 14 25.680 15.393 22.887
120 HA GLN 14 HA GLN 14 26.386 15.092 20.315
121 HB2 GLN 14 HB2 GLN 14 23.943 14.137 20.102
122 HB3 GLN 14 HB1 GLN 14 25.075 13.381 21.312
123 HG2 GLN 14 HG2 GLN 14 24.210 14.911 23.099
124 HG3 GLN 14 HG1 GLN 14 23.055 15.638 21.917
125 HE21 GLN 14 HE21 GLN 14 21.167 14.892 23.050
126 HE22 GLN 14 HE22 GLN 14 20.686 13.230 23.043
127 H ARG 15 HN ARG 15 23.987 17.308 21.585
128 HA ARG 15 HA ARG 15 22.746 17.727 19.108
129 HB2 ARG 15 HB2 ARG 15 21.460 19.444 20.278
130 HB3 ARG 15 HB1 ARG 15 21.632 17.988 21.328
131 HG2 ARG 15 HG2 ARG 15 23.612 19.067 22.461
132 HG3 ARG 15 HG1 ARG 15 23.338 20.547 21.480
133 HD2 ARG 15 HD2 ARG 15 21.032 20.799 22.492
134 HD3 ARG 15 HD1 ARG 15 21.344 19.328 23.517
135 HE ARG 15 HE ARG 15 23.515 21.180 23.885
136 HH11 ARG 15 HH11 ARG 15 20.027 20.800 24.492
137 HH12 ARG 15 HH12 ARG 15 20.013 21.767 25.927
138 HH21 ARG 15 HH21 ARG 15 23.498 22.498 25.840
139 HH22 ARG 15 HH22 ARG 15 22.019 22.750 26.706
140 H LYS 16 HN LYS 16 25.599 19.042 20.632
141 HA LYS 16 HA LYS 16 25.468 21.323 18.808
142 HB2 LYS 16 HB2 LYS 16 25.606 22.186 21.066
143 HB3 LYS 16 HB1 LYS 16 26.779 20.904 21.538
144 HG2 LYS 16 HG2 LYS 16 28.502 21.893 20.100
145 HG3 LYS 16 HG1 LYS 16 27.347 23.127 19.491
146 HD2 LYS 16 HD2 LYS 16 27.187 24.172 21.694
147 HD3 LYS 16 HD1 LYS 16 28.092 22.824 22.463
148 HE2 LYS 16 HE2 LYS 16 29.570 24.809 22.178
149 HE3 LYS 16 HE1 LYS 16 30.142 23.463 21.106
150 HZ1 LYS 16 HZ1 LYS 16 28.197 25.304 19.964
151 HZ2 LYS 16 HZ2 LYS 16 29.578 24.587 19.285
152 HZ3 LYS 16 HZ3 LYS 16 29.734 25.944 20.295
153 H LYS 17 HN LYS 17 27.356 18.816 20.345
154 HA LYS 17 HA LYS 17 29.473 19.179 18.356
155 HB2 LYS 17 HB2 LYS 17 29.173 17.652 20.974
156 HB3 LYS 17 HB1 LYS 17 30.477 17.193 19.818
157 HG2 LYS 17 HG2 LYS 17 30.083 20.040 20.931
158 HG3 LYS 17 HG1 LYS 17 31.172 18.818 21.669
159 HD2 LYS 17 HD2 LYS 17 32.439 18.671 19.489
160 HD3 LYS 17 HD1 LYS 17 31.375 19.952 18.809
161 HE2 LYS 17 HE2 LYS 17 32.172 21.557 20.574
162 HE3 LYS 17 HE1 LYS 17 33.244 20.264 21.256
163 HZ1 LYS 17 HZ1 LYS 17 33.798 20.324 18.576
164 HZ2 LYS 17 HZ2 LYS 17 34.730 20.982 19.834
165 HZ3 LYS 17 HZ3 LYS 17 33.621 21.959 18.998
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 27.510 1.801 38.536
2 H2 ALA 1 HT2 ALA 1 28.457 1.654 37.134
3 H3 ALA 1 HT3 ALA 1 26.914 0.945 37.196
4 HA ALA 1 HA ALA 1 25.868 2.801 36.696
5 HB1 ALA 1 HB1 ALA 1 26.423 3.777 38.962
6 HB2 ALA 1 HB2 ALA 1 26.449 5.038 37.672
7 HB3 ALA 1 HB3 ALA 1 27.998 4.354 38.296
8 H MET 2 HN MET 2 27.811 1.574 34.989
9 HA MET 2 HA MET 2 28.675 3.976 33.532
10 HB2 MET 2 HB2 MET 2 30.238 1.330 33.733
11 HB3 MET 2 HB1 MET 2 30.645 2.711 32.653
12 HG2 MET 2 HG2 MET 2 30.629 2.758 35.734
13 HG3 MET 2 HG1 MET 2 32.082 2.641 34.692
14 HE1 MET 2 HE1 MET 2 32.844 4.053 33.115
15 HE2 MET 2 HE2 MET 2 32.769 5.849 33.121
16 HE3 MET 2 HE3 MET 2 31.518 4.902 32.245
17 H ARG 3 HN ARG 3 29.057 3.519 31.263
18 HA ARG 3 HA ARG 3 28.119 1.376 29.898
19 HB2 ARG 3 HB2 ARG 3 25.813 1.763 30.717
20 HB3 ARG 3 HB1 ARG 3 26.069 3.548 30.567
21 HG2 ARG 3 HG2 ARG 3 26.088 3.464 28.179
22 HG3 ARG 3 HG1 ARG 3 26.148 1.668 28.154
23 HD2 ARG 3 HD2 ARG 3 23.770 3.268 29.333
24 HD3 ARG 3 HD1 ARG 3 23.828 2.643 27.624
25 HE ARG 3 HE ARG 3 24.441 0.460 29.371
26 HH11 ARG 3 HH11 ARG 3 21.790 2.706 28.596
27 HH12 ARG 3 HH12 ARG 3 20.523 1.596 28.997
28 HH21 ARG 3 HH21 ARG 3 22.721 -1.052 29.918
29 HH22 ARG 3 HH22 ARG 3 21.062 -0.579 29.763
30 H LEU 4 HN LEU 4 28.149 4.703 30.615
31 HA LEU 4 HA LEU 4 28.019 5.981 28.325
32 HB2 LEU 4 HB2 LEU 4 29.728 6.567 30.807
33 HB3 LEU 4 HB1 LEU 4 29.565 7.743 29.462
34 HG LEU 4 HG LEU 4 27.753 7.157 31.697
35 HD11 LEU 4 HD11 LEU 4 26.944 9.442 30.048
36 HD12 LEU 4 HD12 LEU 4 28.737 9.418 30.207
37 HD13 LEU 4 HD13 LEU 4 27.702 9.423 31.683
38 HD21 LEU 4 HD21 LEU 4 26.260 5.925 30.326
39 HD22 LEU 4 HD22 LEU 4 26.573 6.938 28.863
40 HD23 LEU 4 HD23 LEU 4 25.613 7.605 30.234
41 H SER 5 HN SER 5 28.958 5.011 26.588
42 HA SER 5 HA SER 5 31.906 4.897 26.556
43 HB2 SER 5 HB2 SER 5 31.713 3.306 24.625
44 HB3 SER 5 HB1 SER 5 30.819 2.658 26.055
45 HG SER 5 HG SER 5 29.474 4.322 24.241
46 H DPP 6 HN DPP 6 33.025 6.052 24.889
47 HA DPP 6 HA DPP 6 33.340 7.654 23.379
48 HB2 DPP 6 HB2 DPP 6 30.955 6.514 22.163
49 HB3 DPP 6 HB3 DPP 6 32.061 7.714 21.402
50 H PHE 7 HN PHE 7 31.888 7.704 26.227
51 HA PHE 7 HA PHE 7 30.259 9.857 25.990
52 HB2 PHE 7 HB2 PHE 7 30.898 8.420 28.307
53 HB3 PHE 7 HB1 PHE 7 31.034 10.224 28.593
54 HD1 PHE 7 HD1 PHE 7 28.834 7.558 27.503
55 HD2 PHE 7 HD2 PHE 7 29.308 11.682 28.114
56 HE1 PHE 7 HE1 PHE 7 26.455 7.896 27.268
57 HE2 PHE 7 HE2 PHE 7 26.967 12.015 27.840
58 HZ PHE 7 HZ PHE 7 25.614 10.110 27.489
59 H PHE 8 HN PHE 8 30.027 11.536 26.429
60 HA PHE 8 HA PHE 8 30.153 13.476 26.684
61 HB2 PHE 8 HB2 PHE 8 32.938 12.920 27.775
62 HB3 PHE 8 HB1 PHE 8 32.545 14.648 27.301
63 HD1 PHE 8 HD1 PHE 8 31.636 11.830 29.399
64 HD2 PHE 8 HD2 PHE 8 30.697 15.669 27.966
65 HE1 PHE 8 HE1 PHE 8 29.600 11.781 30.691
66 HE2 PHE 8 HE2 PHE 8 28.705 15.715 29.242
67 HZ PHE 8 HZ PHE 8 28.127 13.762 30.655
68 H ARG 9 HN ARG 9 30.140 15.018 25.864
69 HA ARG 9 HA ARG 9 29.814 16.230 24.334
70 HB2 ARG 9 HB2 ARG 9 32.564 15.785 23.134
71 HB3 ARG 9 HB1 ARG 9 31.552 17.262 22.968
72 HG2 ARG 9 HG2 ARG 9 32.479 18.154 24.833
73 HG3 ARG 9 HG1 ARG 9 31.906 16.753 25.816
74 HD2 ARG 9 HD2 ARG 9 34.579 16.957 24.261
75 HD3 ARG 9 HD1 ARG 9 34.337 16.857 26.067
76 HE ARG 9 HE ARG 9 32.989 14.626 24.811
77 HH11 ARG 9 HH11 ARG 9 36.254 15.964 25.468
78 HH12 ARG 9 HH12 ARG 9 37.047 14.427 25.526
79 HH21 ARG 9 HH21 ARG 9 34.089 12.538 24.894
80 HH22 ARG 9 HH22 ARG 9 35.794 12.441 25.193
81 H GLN 10 HN GLN 10 28.556 14.070 24.032
82 HA GLN 10 HA GLN 10 28.422 13.819 21.292
83 HB2 GLN 10 HB2 GLN 10 30.420 12.551 21.428
84 HB3 GLN 10 HB1 GLN 10 30.029 12.132 23.137
85 HG2 GLN 10 HG2 GLN 10 28.390 10.425 22.357
86 HG3 GLN 10 HG1 GLN 10 28.694 10.849 20.637
87 HE21 GLN 10 HE21 GLN 10 29.419 8.356 22.722
88 H PHE 11 HN PHE 11 27.128 13.794 24.293
89 HA PHE 11 HA PHE 11 24.873 12.162 23.446
90 HB2 PHE 11 HB2 PHE 11 26.221 12.356 26.110
91 HB3 PHE 11 HB1 PHE 11 24.807 11.267 25.728
92 HD1 PHE 11 HD1 PHE 11 28.201 12.256 24.911
93 HD2 PHE 11 HD2 PHE 11 25.265 9.187 25.010
94 HE1 PHE 11 HE1 PHE 11 29.858 10.614 24.397
95 HE2 PHE 11 HE2 PHE 11 26.958 7.511 24.539
96 HZ PHE 11 HZ PHE 11 29.277 8.226 24.220
97 H ILE 12 HN ILE 12 26.471 14.260 25.478
98 HA ILE 12 HA ILE 12 24.243 15.261 26.779
99 HB ILE 12 HB ILE 12 27.043 16.243 26.861
100 HG12 ILE 12 HG12 ILE 12 27.209 14.306 28.661
101 HG13 ILE 12 HG11 ILE 12 26.132 13.557 27.482
102 HG21 ILE 12 HG21 ILE 12 26.551 16.638 29.260
103 HG22 ILE 12 HG22 ILE 12 25.001 15.721 29.141
104 HG23 ILE 12 HG23 ILE 12 25.176 17.309 28.302
105 HD11 ILE 12 HD11 ILE 12 28.901 14.577 27.038
106 HD12 ILE 12 HD12 ILE 12 27.800 14.483 25.654
107 HD13 ILE 12 HD13 ILE 12 28.211 12.989 26.588
108 H LEU 13 HN LEU 13 26.526 15.546 24.559
109 HA LEU 13 HA LEU 13 26.236 18.344 24.124
110 HB2 LEU 13 HB2 LEU 13 28.026 16.052 24.527
111 HB3 LEU 13 HB1 LEU 13 28.594 17.261 23.237
112 HG LEU 13 HG LEU 13 29.285 18.769 24.831
113 HD11 LEU 13 HD11 LEU 13 27.807 19.426 26.836
114 HD12 LEU 13 HD12 LEU 13 26.568 18.282 26.193
115 HD13 LEU 13 HD13 LEU 13 27.072 19.704 25.211
116 HD21 LEU 13 HD21 LEU 13 29.094 16.143 26.068
117 HD22 LEU 13 HD22 LEU 13 28.811 17.397 27.333
118 HD23 LEU 13 HD23 LEU 13 30.322 17.427 26.342
119 H GLN 14 HN GLN 14 25.620 15.321 22.942
120 HA GLN 14 HA GLN 14 26.377 15.085 20.394
121 HB2 GLN 14 HB2 GLN 14 23.927 14.169 20.079
122 HB3 GLN 14 HB1 GLN 14 25.020 13.368 21.297
123 HG2 GLN 14 HG2 GLN 14 24.123 14.863 23.104
124 HG3 GLN 14 HG1 GLN 14 23.001 15.627 21.909
125 HE21 GLN 14 HE21 GLN 14 21.086 14.865 22.988
126 HE22 GLN 14 HE22 GLN 14 20.594 13.207 22.925
127 H ARG 15 HN ARG 15 23.921 17.272 21.608
128 HA ARG 15 HA ARG 15 22.777 17.770 19.105
129 HB2 ARG 15 HB2 ARG 15 21.479 19.476 20.287
130 HB3 ARG 15 HB1 ARG 15 21.609 17.992 21.304
131 HG2 ARG 15 HG2 ARG 15 23.667 19.064 22.422
132 HG3 ARG 15 HG1 ARG 15 23.232 20.587 21.576
133 HD2 ARG 15 HD2 ARG 15 21.347 19.065 23.511
134 HD3 ARG 15 HD1 ARG 15 22.323 20.536 23.937
135 HE ARG 15 HE ARG 15 19.906 20.448 22.202
136 HH11 ARG 15 HH11 ARG 15 22.773 22.231 23.353
137 HH12 ARG 15 HH12 ARG 15 22.157 23.794 22.934
138 HH21 ARG 15 HH21 ARG 15 19.074 22.573 21.636
139 HH22 ARG 15 HH22 ARG 15 20.019 23.991 21.942
140 H LYS 16 HN LYS 16 25.609 18.959 20.699
141 HA LYS 16 HA LYS 16 25.619 21.288 18.947
142 HB2 LYS 16 HB2 LYS 16 25.593 22.054 21.277
143 HB3 LYS 16 HB1 LYS 16 26.826 20.821 21.727
144 HG2 LYS 16 HG2 LYS 16 28.506 21.951 20.323
145 HG3 LYS 16 HG1 LYS 16 27.291 23.155 19.778
146 HD2 LYS 16 HD2 LYS 16 27.025 23.952 22.139
147 HD3 LYS 16 HD1 LYS 16 28.230 22.737 22.687
148 HE2 LYS 16 HE2 LYS 16 28.825 24.997 20.659
149 HE3 LYS 16 HE1 LYS 16 29.221 25.052 22.427
150 HZ1 LYS 16 HZ1 LYS 16 30.904 23.648 22.156
151 HZ2 LYS 16 HZ2 LYS 16 30.853 24.155 20.536
152 HZ3 LYS 16 HZ3 LYS 16 30.121 22.691 20.991
153 H LYS 17 HN LYS 17 27.524 18.916 20.741
154 HA LYS 17 HA LYS 17 29.506 17.974 20.308
155 HB2 LYS 17 HB2 LYS 17 27.789 17.632 17.975
156 HB3 LYS 17 HB1 LYS 17 29.504 17.712 17.434
157 HG2 LYS 17 HG2 LYS 17 30.096 15.917 19.089
158 HG3 LYS 17 HG1 LYS 17 28.372 15.832 19.594
159 HD2 LYS 17 HD2 LYS 17 27.723 15.182 17.264
160 HD3 LYS 17 HD1 LYS 17 29.445 15.274 16.757
161 HE2 LYS 17 HE2 LYS 17 30.026 13.433 18.365
162 HE3 LYS 17 HE1 LYS 17 28.291 13.345 18.886
163 HZ1 LYS 17 HZ1 LYS 17 27.839 13.007 16.420
164 HZ2 LYS 17 HZ2 LYS 17 28.524 11.724 17.295
165 HZ3 LYS 17 HZ3 LYS 17 29.496 12.669 16.272
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 28.260 2.650 37.978
2 H2 ALA 1 HT2 ALA 1 27.447 1.310 37.322
3 H3 ALA 1 HT3 ALA 1 26.798 2.124 38.664
4 HA ALA 1 HA ALA 1 25.709 2.605 36.510
5 HB1 ALA 1 HB1 ALA 1 25.471 4.139 38.473
6 HB2 ALA 1 HB2 ALA 1 25.594 5.100 36.950
7 HB3 ALA 1 HB3 ALA 1 27.028 4.939 38.034
8 H MET 2 HN MET 2 27.279 1.684 34.820
9 HA MET 2 HA MET 2 28.529 3.981 33.495
10 HB2 MET 2 HB2 MET 2 29.765 1.169 33.696
11 HB3 MET 2 HB1 MET 2 30.370 2.512 32.658
12 HG2 MET 2 HG2 MET 2 30.825 3.887 34.687
13 HG3 MET 2 HG1 MET 2 30.201 2.574 35.733
14 HE1 MET 2 HE1 MET 2 32.301 2.544 37.202
15 HE2 MET 2 HE2 MET 2 32.800 3.972 36.229
16 HE3 MET 2 HE3 MET 2 33.976 2.652 36.554
17 H ARG 3 HN ARG 3 28.941 3.535 31.232
18 HA ARG 3 HA ARG 3 27.828 1.543 29.775
19 HB2 ARG 3 HB2 ARG 3 25.540 2.159 30.479
20 HB3 ARG 3 HB1 ARG 3 26.001 3.908 30.428
21 HG2 ARG 3 HG2 ARG 3 26.191 3.883 28.017
22 HG3 ARG 3 HG1 ARG 3 25.938 2.104 27.949
23 HD2 ARG 3 HD2 ARG 3 23.817 4.057 29.083
24 HD3 ARG 3 HD1 ARG 3 23.855 3.518 27.348
25 HE ARG 3 HE ARG 3 23.097 1.877 29.697
26 HH11 ARG 3 HH11 ARG 3 24.197 1.970 26.305
27 HH12 ARG 3 HH12 ARG 3 23.601 0.392 25.910
28 HH21 ARG 3 HH21 ARG 3 22.291 -0.266 29.155
29 HH22 ARG 3 HH22 ARG 3 22.501 -0.898 27.557
30 H LEU 4 HN LEU 4 28.198 4.836 30.580
31 HA LEU 4 HA LEU 4 28.346 6.100 28.273
32 HB2 LEU 4 HB2 LEU 4 29.988 6.596 30.827
33 HB3 LEU 4 HB1 LEU 4 29.838 7.793 29.498
34 HG LEU 4 HG LEU 4 28.009 7.167 31.725
35 HD11 LEU 4 HD11 LEU 4 27.286 9.556 30.188
36 HD12 LEU 4 HD12 LEU 4 29.078 9.460 30.339
37 HD13 LEU 4 HD13 LEU 4 28.046 9.432 31.818
38 HD21 LEU 4 HD21 LEU 4 25.943 7.870 30.116
39 HD22 LEU 4 HD22 LEU 4 26.367 6.147 30.432
40 HD23 LEU 4 HD23 LEU 4 26.887 6.938 28.897
41 H SER 5 HN SER 5 29.343 5.190 26.591
42 HA SER 5 HA SER 5 32.039 4.136 26.897
43 HB2 SER 5 HB2 SER 5 30.115 4.084 24.498
44 HB3 SER 5 HB1 SER 5 31.770 3.350 24.494
45 HG SER 5 HG SER 5 29.866 2.742 26.497
46 H DPP 6 HN DPP 6 30.697 5.952 23.985
47 HA DPP 6 HA DPP 6 33.267 7.200 23.668
48 HB2 DPP 6 HB2 DPP 6 31.357 6.667 21.750
49 HB3 DPP 6 HB3 DPP 6 32.469 8.070 21.569
50 H PHE 7 HN PHE 7 31.979 7.672 26.302
51 HA PHE 7 HA PHE 7 30.425 9.870 26.029
52 HB2 PHE 7 HB2 PHE 7 31.143 8.511 28.379
53 HB3 PHE 7 HB1 PHE 7 31.273 10.324 28.580
54 HD1 PHE 7 HD1 PHE 7 29.090 7.621 27.544
55 HD2 PHE 7 HD2 PHE 7 29.520 11.736 28.180
56 HE1 PHE 7 HE1 PHE 7 26.702 7.930 27.326
57 HE2 PHE 7 HE2 PHE 7 27.174 12.043 27.929
58 HZ PHE 7 HZ PHE 7 25.837 10.129 27.571
59 H PHE 8 HN PHE 8 30.227 11.540 26.461
60 HA PHE 8 HA PHE 8 30.354 13.486 26.629
61 HB2 PHE 8 HB2 PHE 8 33.164 12.964 27.668
62 HB3 PHE 8 HB1 PHE 8 32.753 14.679 27.161
63 HD1 PHE 8 HD1 PHE 8 31.913 11.916 29.358
64 HD2 PHE 8 HD2 PHE 8 30.903 15.704 27.840
65 HE1 PHE 8 HE1 PHE 8 29.908 11.887 30.704
66 HE2 PHE 8 HE2 PHE 8 28.943 15.770 29.167
67 HZ PHE 8 HZ PHE 8 28.417 13.856 30.650
68 H ARG 9 HN ARG 9 30.319 15.009 25.787
69 HA ARG 9 HA ARG 9 29.944 16.196 24.249
70 HB2 ARG 9 HB2 ARG 9 32.661 15.751 22.981
71 HB3 ARG 9 HB1 ARG 9 31.637 17.220 22.829
72 HG2 ARG 9 HG2 ARG 9 32.620 18.137 24.653
73 HG3 ARG 9 HG1 ARG 9 32.070 16.752 25.670
74 HD2 ARG 9 HD2 ARG 9 34.708 16.941 24.054
75 HD3 ARG 9 HD1 ARG 9 34.502 16.840 25.866
76 HE ARG 9 HE ARG 9 33.124 14.611 24.653
77 HH11 ARG 9 HH11 ARG 9 36.414 15.947 25.180
78 HH12 ARG 9 HH12 ARG 9 37.206 14.407 25.204
79 HH21 ARG 9 HH21 ARG 9 34.224 12.521 24.687
80 HH22 ARG 9 HH22 ARG 9 35.938 12.424 24.919
81 H GLN 10 HN GLN 10 28.663 14.054 23.991
82 HA GLN 10 HA GLN 10 28.459 13.773 21.261
83 HB2 GLN 10 HB2 GLN 10 30.471 12.535 21.346
84 HB3 GLN 10 HB1 GLN 10 30.140 12.118 23.067
85 HG2 GLN 10 HG2 GLN 10 28.509 10.385 22.349
86 HG3 GLN 10 HG1 GLN 10 28.754 10.804 20.616
87 HE21 GLN 10 HE21 GLN 10 29.607 8.309 22.635
88 H PHE 11 HN PHE 11 27.272 13.722 24.316
89 HA PHE 11 HA PHE 11 25.018 12.056 23.539
90 HB2 PHE 11 HB2 PHE 11 26.451 12.304 26.151
91 HB3 PHE 11 HB1 PHE 11 25.028 11.203 25.841
92 HD1 PHE 11 HD1 PHE 11 28.388 12.184 24.889
93 HD2 PHE 11 HD2 PHE 11 25.454 9.120 25.118
94 HE1 PHE 11 HE1 PHE 11 30.033 10.520 24.340
95 HE2 PHE 11 HE2 PHE 11 27.117 7.426 24.608
96 HZ PHE 11 HZ PHE 11 29.439 8.102 24.195
97 H ILE 12 HN ILE 12 26.634 14.222 25.480
98 HA ILE 12 HA ILE 12 24.427 15.223 26.821
99 HB ILE 12 HB ILE 12 27.221 16.227 26.817
100 HG12 ILE 12 HG12 ILE 12 27.448 14.321 28.644
101 HG13 ILE 12 HG11 ILE 12 26.346 13.549 27.501
102 HG21 ILE 12 HG21 ILE 12 26.778 16.609 29.248
103 HG22 ILE 12 HG22 ILE 12 25.197 15.748 29.125
104 HG23 ILE 12 HG23 ILE 12 25.430 17.330 28.289
105 HD11 ILE 12 HD11 ILE 12 27.968 14.468 25.624
106 HD12 ILE 12 HD12 ILE 12 28.398 12.977 26.550
107 HD13 ILE 12 HD13 ILE 12 29.101 14.566 26.987
108 H LEU 13 HN LEU 13 26.664 15.493 24.549
109 HA LEU 13 HA LEU 13 26.346 18.282 24.075
110 HB2 LEU 13 HB2 LEU 13 28.158 16.005 24.482
111 HB3 LEU 13 HB1 LEU 13 28.693 17.193 23.159
112 HG LEU 13 HG LEU 13 29.400 18.740 24.708
113 HD11 LEU 13 HD11 LEU 13 27.193 19.665 25.127
114 HD12 LEU 13 HD12 LEU 13 27.957 19.407 26.742
115 HD13 LEU 13 HD13 LEU 13 26.715 18.248 26.132
116 HD21 LEU 13 HD21 LEU 13 29.008 17.415 27.246
117 HD22 LEU 13 HD22 LEU 13 30.489 17.431 26.210
118 HD23 LEU 13 HD23 LEU 13 29.260 16.135 26.003
119 H GLN 14 HN GLN 14 25.659 15.275 22.957
120 HA GLN 14 HA GLN 14 26.383 15.023 20.382
121 HB2 GLN 14 HB2 GLN 14 23.935 14.069 20.151
122 HB3 GLN 14 HB1 GLN 14 25.082 13.288 21.334
123 HG2 GLN 14 HG2 GLN 14 24.224 14.723 23.177
124 HG3 GLN 14 HG1 GLN 14 23.109 15.558 22.035
125 HE21 GLN 14 HE21 GLN 14 23.838 12.034 21.811
126 HE22 GLN 14 HE22 GLN 14 22.251 11.490 22.236
127 H ARG 15 HN ARG 15 23.971 17.224 21.683
128 HA ARG 15 HA ARG 15 22.862 17.690 19.115
129 HB2 ARG 15 HB2 ARG 15 21.290 19.141 20.267
130 HB3 ARG 15 HB1 ARG 15 21.520 17.639 21.237
131 HG2 ARG 15 HG2 ARG 15 23.422 18.965 22.469
132 HG3 ARG 15 HG1 ARG 15 22.676 20.427 21.739
133 HD2 ARG 15 HD2 ARG 15 21.718 20.142 23.992
134 HD3 ARG 15 HD1 ARG 15 20.422 19.698 22.794
135 HE ARG 15 HE ARG 15 22.009 17.369 23.563
136 HH11 ARG 15 HH11 ARG 15 19.447 19.616 24.600
137 HH12 ARG 15 HH12 ARG 15 18.640 18.469 25.618
138 HH21 ARG 15 HH21 ARG 15 20.912 15.807 24.941
139 HH22 ARG 15 HH22 ARG 15 19.489 16.266 25.815
140 H LYS 16 HN LYS 16 25.467 19.004 20.992
141 HA LYS 16 HA LYS 16 25.239 21.564 19.559
142 HB2 LYS 16 HB2 LYS 16 27.108 20.778 21.872
143 HB3 LYS 16 HB1 LYS 16 26.909 22.433 21.177
144 HG2 LYS 16 HG2 LYS 16 24.513 22.427 21.930
145 HG3 LYS 16 HG1 LYS 16 24.778 20.798 22.645
146 HD2 LYS 16 HD2 LYS 16 26.530 21.738 24.160
147 HD3 LYS 16 HD1 LYS 16 26.278 23.369 23.446
148 HE2 LYS 16 HE2 LYS 16 23.903 23.372 24.269
149 HE3 LYS 16 HE1 LYS 16 24.153 21.724 24.982
150 HZ1 LYS 16 HZ1 LYS 16 25.099 22.627 26.720
151 HZ2 LYS 16 HZ2 LYS 16 24.678 24.165 26.136
152 HZ3 LYS 16 HZ3 LYS 16 26.205 23.512 25.785
153 H LYS 17 HN LYS 17 27.093 18.808 20.455
154 HA LYS 17 HA LYS 17 29.158 19.508 18.466
155 HB2 LYS 17 HB2 LYS 17 29.037 17.748 20.930
156 HB3 LYS 17 HB1 LYS 17 30.162 17.261 19.608
157 HG2 LYS 17 HG2 LYS 17 30.183 20.130 20.668
158 HG3 LYS 17 HG1 LYS 17 31.010 18.824 21.583
159 HD2 LYS 17 HD2 LYS 17 32.421 18.283 19.630
160 HD3 LYS 17 HD1 LYS 17 31.524 19.460 18.611
161 HE2 LYS 17 HE2 LYS 17 33.658 20.476 19.325
162 HE3 LYS 17 HE1 LYS 17 32.307 21.324 20.185
163 HZ1 LYS 17 HZ1 LYS 17 34.495 20.184 21.315
164 HZ2 LYS 17 HZ2 LYS 17 33.281 19.031 21.602
165 HZ3 LYS 17 HZ3 LYS 17 33.066 20.635 22.114
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 29.702 0.657 37.130
2 H2 ALA 1 HT2 ALA 1 28.743 1.270 38.390
3 H3 ALA 1 HT3 ALA 1 29.440 2.331 37.262
4 HA ALA 1 HA ALA 1 27.838 0.306 36.056
5 HB1 ALA 1 HB1 ALA 1 26.538 0.618 38.197
6 HB2 ALA 1 HB2 ALA 1 25.626 1.257 36.776
7 HB3 ALA 1 HB3 ALA 1 26.490 2.394 37.880
8 H MET 2 HN MET 2 29.745 1.996 34.947
9 HA MET 2 HA MET 2 28.189 4.266 33.898
10 HB2 MET 2 HB2 MET 2 31.114 3.514 33.405
11 HB3 MET 2 HB1 MET 2 30.285 5.008 32.860
12 HG2 MET 2 HG2 MET 2 30.903 4.192 35.765
13 HG3 MET 2 HG1 MET 2 31.718 5.476 34.819
14 HE1 MET 2 HE1 MET 2 29.136 7.114 33.335
15 HE2 MET 2 HE2 MET 2 30.842 7.325 33.859
16 HE3 MET 2 HE3 MET 2 29.559 8.390 34.529
17 H ARG 3 HN ARG 3 26.908 3.613 32.395
18 HA ARG 3 HA ARG 3 27.661 1.635 30.559
19 HB2 ARG 3 HB2 ARG 3 25.264 2.107 31.033
20 HB3 ARG 3 HB1 ARG 3 25.555 3.839 30.616
21 HG2 ARG 3 HG2 ARG 3 25.905 3.347 28.300
22 HG3 ARG 3 HG1 ARG 3 25.961 1.571 28.594
23 HD2 ARG 3 HD2 ARG 3 23.449 3.302 29.140
24 HD3 ARG 3 HD1 ARG 3 23.744 2.403 27.586
25 HE ARG 3 HE ARG 3 24.093 0.549 29.737
26 HH11 ARG 3 HH11 ARG 3 21.586 2.597 28.252
27 HH12 ARG 3 HH12 ARG 3 20.272 1.542 28.647
28 HH21 ARG 3 HH21 ARG 3 22.305 -0.889 30.274
29 HH22 ARG 3 HH22 ARG 3 20.687 -0.474 29.817
30 H LEU 4 HN LEU 4 27.432 5.030 30.864
31 HA LEU 4 HA LEU 4 27.689 6.169 28.620
32 HB2 LEU 4 HB2 LEU 4 29.357 6.785 31.124
33 HB3 LEU 4 HB1 LEU 4 29.256 7.910 29.731
34 HG LEU 4 HG LEU 4 27.390 7.476 31.958
35 HD11 LEU 4 HD11 LEU 4 28.494 9.639 30.423
36 HD12 LEU 4 HD12 LEU 4 27.402 9.743 31.853
37 HD13 LEU 4 HD13 LEU 4 26.710 9.723 30.188
38 HD21 LEU 4 HD21 LEU 4 26.257 7.169 29.117
39 HD22 LEU 4 HD22 LEU 4 25.298 7.965 30.419
40 HD23 LEU 4 HD23 LEU 4 25.858 6.263 30.628
41 H SER 5 HN SER 5 28.626 5.180 26.934
42 HA SER 5 HA SER 5 31.559 4.853 27.012
43 HB2 SER 5 HB2 SER 5 30.381 2.643 26.629
44 HB3 SER 5 HB1 SER 5 29.525 3.379 25.217
45 HG SER 5 HG SER 5 31.216 3.046 24.089
46 H DPP 6 HN DPP 6 32.759 5.971 25.447
47 HA DPP 6 HA DPP 6 33.204 7.424 23.819
48 HB2 DPP 6 HB2 DPP 6 30.843 6.302 22.555
49 HB3 DPP 6 HB3 DPP 6 32.007 7.442 21.788
50 H PHE 7 HN PHE 7 31.638 7.666 26.589
51 HA PHE 7 HA PHE 7 30.099 9.854 26.199
52 HB2 PHE 7 HB2 PHE 7 30.627 8.521 28.604
53 HB3 PHE 7 HB1 PHE 7 30.810 10.332 28.800
54 HD1 PHE 7 HD1 PHE 7 28.561 7.680 27.800
55 HD2 PHE 7 HD2 PHE 7 29.142 11.815 28.180
56 HE1 PHE 7 HE1 PHE 7 26.199 8.069 27.483
57 HE2 PHE 7 HE2 PHE 7 26.821 12.198 27.821
58 HZ PHE 7 HZ PHE 7 25.420 10.313 27.547
59 H PHE 8 HN PHE 8 29.904 11.556 26.542
60 HA PHE 8 HA PHE 8 30.079 13.506 26.694
61 HB2 PHE 8 HB2 PHE 8 32.810 12.929 27.911
62 HB3 PHE 8 HB1 PHE 8 32.479 14.640 27.341
63 HD1 PHE 8 HD1 PHE 8 31.434 11.958 29.551
64 HD2 PHE 8 HD2 PHE 8 30.628 15.729 27.881
65 HE1 PHE 8 HE1 PHE 8 29.353 12.020 30.772
66 HE2 PHE 8 HE2 PHE 8 28.596 15.886 29.077
67 HZ PHE 8 HZ PHE 8 27.925 14.026 30.575
68 H ARG 9 HN ARG 9 30.129 14.986 25.783
69 HA ARG 9 HA ARG 9 29.909 16.130 24.180
70 HB2 ARG 9 HB2 ARG 9 32.680 15.515 23.113
71 HB3 ARG 9 HB1 ARG 9 31.736 17.017 22.830
72 HG2 ARG 9 HG2 ARG 9 32.617 17.977 24.686
73 HG3 ARG 9 HG1 ARG 9 31.980 16.638 25.716
74 HD2 ARG 9 HD2 ARG 9 34.698 16.692 24.227
75 HD3 ARG 9 HD1 ARG 9 34.408 16.701 26.030
76 HE ARG 9 HE ARG 9 33.030 14.439 24.859
77 HH11 ARG 9 HH11 ARG 9 36.312 15.723 25.543
78 HH12 ARG 9 HH12 ARG 9 37.056 14.168 25.712
79 HH21 ARG 9 HH21 ARG 9 34.064 12.330 25.096
80 HH22 ARG 9 HH22 ARG 9 35.755 12.204 25.454
81 H GLN 10 HN GLN 10 28.581 14.000 23.944
82 HA GLN 10 HA GLN 10 28.533 13.615 21.220
83 HB2 GLN 10 HB2 GLN 10 30.484 12.295 21.466
84 HB3 GLN 10 HB1 GLN 10 30.049 11.986 23.187
85 HG2 GLN 10 HG2 GLN 10 28.376 10.280 22.466
86 HG3 GLN 10 HG1 GLN 10 28.740 10.590 20.733
87 HE21 GLN 10 HE21 GLN 10 29.336 8.209 22.980
88 H PHE 11 HN PHE 11 27.155 13.761 24.175
89 HA PHE 11 HA PHE 11 24.900 12.122 23.352
90 HB2 PHE 11 HB2 PHE 11 26.162 12.474 26.035
91 HB3 PHE 11 HB1 PHE 11 24.737 11.392 25.684
92 HD1 PHE 11 HD1 PHE 11 28.177 12.252 24.886
93 HD2 PHE 11 HD2 PHE 11 25.174 9.251 25.138
94 HE1 PHE 11 HE1 PHE 11 29.806 10.544 24.519
95 HE2 PHE 11 HE2 PHE 11 26.837 7.515 24.817
96 HZ PHE 11 HZ PHE 11 29.179 8.155 24.508
97 H ILE 12 HN ILE 12 26.465 14.331 25.290
98 HA ILE 12 HA ILE 12 24.217 15.445 26.454
99 HB ILE 12 HB ILE 12 27.038 16.350 26.615
100 HG12 ILE 12 HG12 ILE 12 27.077 14.499 28.506
101 HG13 ILE 12 HG11 ILE 12 26.027 13.724 27.319
102 HG21 ILE 12 HG21 ILE 12 25.097 17.504 27.922
103 HG22 ILE 12 HG22 ILE 12 26.464 16.913 28.942
104 HG23 ILE 12 HG23 ILE 12 24.930 15.969 28.857
105 HD11 ILE 12 HD11 ILE 12 27.794 14.520 25.522
106 HD12 ILE 12 HD12 ILE 12 28.117 13.057 26.533
107 HD13 ILE 12 HD13 ILE 12 28.840 14.641 26.954
108 H LEU 13 HN LEU 13 26.613 15.608 24.330
109 HA LEU 13 HA LEU 13 26.435 18.414 23.875
110 HB2 LEU 13 HB2 LEU 13 28.122 16.056 24.350
111 HB3 LEU 13 HB1 LEU 13 28.783 17.224 23.063
112 HG LEU 13 HG LEU 13 29.469 18.734 24.661
113 HD11 LEU 13 HD11 LEU 13 27.946 19.429 26.633
114 HD12 LEU 13 HD12 LEU 13 26.690 18.343 25.925
115 HD13 LEU 13 HD13 LEU 13 27.292 19.756 24.983
116 HD21 LEU 13 HD21 LEU 13 30.414 17.353 26.195
117 HD22 LEU 13 HD22 LEU 13 29.133 16.125 25.904
118 HD23 LEU 13 HD23 LEU 13 28.882 17.400 27.152
119 H GLN 14 HN GLN 14 25.843 15.395 22.610
120 HA GLN 14 HA GLN 14 26.728 15.356 20.049
121 HB2 GLN 14 HB2 GLN 14 24.409 14.195 19.632
122 HB3 GLN 14 HB1 GLN 14 25.557 13.455 20.840
123 HG2 GLN 14 HG2 GLN 14 24.462 14.675 22.694
124 HG3 GLN 14 HG1 GLN 14 23.345 15.491 21.546
125 HE21 GLN 14 HE21 GLN 14 24.413 12.056 21.189
126 HE22 GLN 14 HE22 GLN 14 22.852 11.353 21.446
127 H ARG 15 HN ARG 15 24.120 17.254 21.387
128 HA ARG 15 HA ARG 15 22.907 17.755 18.912
129 HB2 ARG 15 HB2 ARG 15 21.457 19.271 20.175
130 HB3 ARG 15 HB1 ARG 15 21.719 17.750 21.107
131 HG2 ARG 15 HG2 ARG 15 23.655 18.926 22.311
132 HG3 ARG 15 HG1 ARG 15 23.117 20.453 21.534
133 HD2 ARG 15 HD2 ARG 15 21.325 18.696 23.357
134 HD3 ARG 15 HD1 ARG 15 22.186 20.208 23.879
135 HE ARG 15 HE ARG 15 19.807 20.043 22.096
136 HH11 ARG 15 HH11 ARG 15 22.521 21.958 23.396
137 HH12 ARG 15 HH12 ARG 15 21.798 23.494 23.054
138 HH21 ARG 15 HH21 ARG 15 18.829 22.131 21.636
139 HH22 ARG 15 HH22 ARG 15 19.665 23.594 22.038
140 H LYS 16 HN LYS 16 25.629 19.166 20.584
141 HA LYS 16 HA LYS 16 25.332 21.555 18.921
142 HB2 LYS 16 HB2 LYS 16 25.287 22.284 21.231
143 HB3 LYS 16 HB1 LYS 16 26.563 21.097 21.684
144 HG2 LYS 16 HG2 LYS 16 28.234 22.336 20.387
145 HG3 LYS 16 HG1 LYS 16 26.987 23.486 19.794
146 HD2 LYS 16 HD2 LYS 16 26.629 24.372 22.047
147 HD3 LYS 16 HD1 LYS 16 27.642 23.079 22.775
148 HE2 LYS 16 HE2 LYS 16 28.911 25.221 22.668
149 HE3 LYS 16 HE1 LYS 16 29.661 24.008 21.548
150 HZ1 LYS 16 HZ1 LYS 16 28.993 26.488 20.872
151 HZ2 LYS 16 HZ2 LYS 16 27.578 25.675 20.404
152 HZ3 LYS 16 HZ3 LYS 16 29.082 25.193 19.779
153 H LYS 17 HN LYS 17 27.383 19.146 20.397
154 HA LYS 17 HA LYS 17 29.508 19.803 18.485
155 HB2 LYS 17 HB2 LYS 17 29.378 18.135 21.043
156 HB3 LYS 17 HB1 LYS 17 30.818 18.107 19.953
157 HG2 LYS 17 HG2 LYS 17 31.073 20.590 20.257
158 HG3 LYS 17 HG1 LYS 17 29.655 20.595 21.360
159 HD2 LYS 17 HD2 LYS 17 30.868 19.035 22.909
160 HD3 LYS 17 HD1 LYS 17 32.291 19.062 21.813
161 HE2 LYS 17 HE2 LYS 17 31.102 21.549 23.218
162 HE3 LYS 17 HE1 LYS 17 32.562 20.629 23.771
163 HZ1 LYS 17 HZ1 LYS 17 32.274 22.559 21.678
164 HZ2 LYS 17 HZ2 LYS 17 33.035 21.139 21.140
165 HZ3 LYS 17 HZ3 LYS 17 33.665 21.989 22.468
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 28.070 2.649 38.199
2 H2 ALA 1 HT2 ALA 1 27.671 1.381 37.141
3 H3 ALA 1 HT3 ALA 1 26.638 1.766 38.433
4 HA ALA 1 HA ALA 1 25.672 2.614 36.487
5 HB1 ALA 1 HB1 ALA 1 25.624 5.088 37.018
6 HB2 ALA 1 HB2 ALA 1 27.078 4.860 38.063
7 HB3 ALA 1 HB3 ALA 1 25.512 4.084 38.512
8 H MET 2 HN MET 2 27.295 1.665 34.810
9 HA MET 2 HA MET 2 28.522 3.981 33.491
10 HB2 MET 2 HB2 MET 2 29.792 1.190 33.775
11 HB3 MET 2 HB1 MET 2 30.358 2.469 32.638
12 HG2 MET 2 HG2 MET 2 30.708 3.993 34.658
13 HG3 MET 2 HG1 MET 2 30.341 2.593 35.713
14 HE1 MET 2 HE1 MET 2 33.099 0.183 35.581
15 HE2 MET 2 HE2 MET 2 31.808 0.015 34.341
16 HE3 MET 2 HE3 MET 2 31.405 0.633 35.980
17 H ARG 3 HN ARG 3 28.947 3.537 31.230
18 HA ARG 3 HA ARG 3 27.854 1.531 29.774
19 HB2 ARG 3 HB2 ARG 3 25.569 2.163 30.508
20 HB3 ARG 3 HB1 ARG 3 26.021 3.909 30.371
21 HG2 ARG 3 HG2 ARG 3 26.178 3.792 27.977
22 HG3 ARG 3 HG1 ARG 3 25.994 2.001 27.975
23 HD2 ARG 3 HD2 ARG 3 23.639 2.177 28.731
24 HD3 ARG 3 HD1 ARG 3 23.809 3.977 28.947
25 HE ARG 3 HE ARG 3 24.539 3.419 26.260
26 HH11 ARG 3 HH11 ARG 3 21.734 3.039 28.421
27 HH12 ARG 3 HH12 ARG 3 20.550 3.201 27.168
28 HH21 ARG 3 HH21 ARG 3 22.930 3.641 24.554
29 HH22 ARG 3 HH22 ARG 3 21.243 3.550 24.931
30 H LEU 4 HN LEU 4 28.199 4.831 30.559
31 HA LEU 4 HA LEU 4 28.337 6.096 28.259
32 HB2 LEU 4 HB2 LEU 4 30.001 6.581 30.800
33 HB3 LEU 4 HB1 LEU 4 29.847 7.782 29.476
34 HG LEU 4 HG LEU 4 28.029 7.158 31.711
35 HD11 LEU 4 HD11 LEU 4 29.106 9.448 30.341
36 HD12 LEU 4 HD12 LEU 4 28.056 9.423 31.807
37 HD13 LEU 4 HD13 LEU 4 27.315 9.551 30.170
38 HD21 LEU 4 HD21 LEU 4 26.888 6.949 28.887
39 HD22 LEU 4 HD22 LEU 4 25.955 7.867 30.120
40 HD23 LEU 4 HD23 LEU 4 26.383 6.141 30.418
41 H SER 5 HN SER 5 29.305 5.201 26.562
42 HA SER 5 HA SER 5 31.986 4.115 26.796
43 HB2 SER 5 HB2 SER 5 31.614 3.602 24.247
44 HB3 SER 5 HB1 SER 5 30.608 2.694 25.443
45 HG SER 5 HG SER 5 29.003 3.487 24.430
46 H DPP 6 HN DPP 6 30.731 5.974 23.903
47 HA DPP 6 HA DPP 6 33.292 7.247 23.658
48 HB2 DPP 6 HB2 DPP 6 31.414 6.742 21.707
49 HB3 DPP 6 HB3 DPP 6 32.517 8.157 21.565
50 H PHE 7 HN PHE 7 31.990 7.693 26.286
51 HA PHE 7 HA PHE 7 30.430 9.890 26.027
52 HB2 PHE 7 HB2 PHE 7 31.145 8.512 28.366
53 HB3 PHE 7 HB1 PHE 7 31.271 10.324 28.584
54 HD1 PHE 7 HD1 PHE 7 29.094 7.624 27.528
55 HD2 PHE 7 HD2 PHE 7 29.519 11.736 28.186
56 HE1 PHE 7 HE1 PHE 7 26.707 7.930 27.309
57 HE2 PHE 7 HE2 PHE 7 27.172 12.041 27.932
58 HZ PHE 7 HZ PHE 7 25.838 10.129 27.562
59 H PHE 8 HN PHE 8 30.227 11.557 26.462
60 HA PHE 8 HA PHE 8 30.351 13.502 26.649
61 HB2 PHE 8 HB2 PHE 8 33.160 12.977 27.689
62 HB3 PHE 8 HB1 PHE 8 32.747 14.694 27.194
63 HD1 PHE 8 HD1 PHE 8 31.910 11.914 29.369
64 HD2 PHE 8 HD2 PHE 8 30.894 15.711 27.879
65 HE1 PHE 8 HE1 PHE 8 29.905 11.871 30.712
66 HE2 PHE 8 HE2 PHE 8 28.935 15.765 29.204
67 HZ PHE 8 HZ PHE 8 28.411 13.840 30.673
68 H ARG 9 HN ARG 9 30.312 15.031 25.818
69 HA ARG 9 HA ARG 9 29.938 16.232 24.289
70 HB2 ARG 9 HB2 ARG 9 32.661 15.797 23.025
71 HB3 ARG 9 HB1 ARG 9 31.636 17.265 22.880
72 HG2 ARG 9 HG2 ARG 9 32.610 18.173 24.715
73 HG3 ARG 9 HG1 ARG 9 32.062 16.777 25.720
74 HD2 ARG 9 HD2 ARG 9 34.701 16.983 24.107
75 HD3 ARG 9 HD1 ARG 9 34.495 16.878 25.918
76 HE ARG 9 HE ARG 9 33.126 14.648 24.691
77 HH11 ARG 9 HH11 ARG 9 36.407 15.990 25.253
78 HH12 ARG 9 HH12 ARG 9 37.202 14.452 25.285
79 HH21 ARG 9 HH21 ARG 9 34.229 12.561 24.739
80 HH22 ARG 9 HH22 ARG 9 35.942 12.467 24.988
81 H GLN 10 HN GLN 10 28.663 14.087 24.014
82 HA GLN 10 HA GLN 10 28.462 13.824 21.283
83 HB2 GLN 10 HB2 GLN 10 30.480 12.596 21.359
84 HB3 GLN 10 HB1 GLN 10 30.150 12.165 23.077
85 HG2 GLN 10 HG2 GLN 10 28.530 10.429 22.344
86 HG3 GLN 10 HG1 GLN 10 28.774 10.862 20.614
87 HE21 GLN 10 HE21 GLN 10 29.642 8.356 22.613
88 H PHE 11 HN PHE 11 27.271 13.755 24.333
89 HA PHE 11 HA PHE 11 25.020 12.088 23.544
90 HB2 PHE 11 HB2 PHE 11 26.450 12.313 26.160
91 HB3 PHE 11 HB1 PHE 11 25.034 11.210 25.836
92 HD1 PHE 11 HD1 PHE 11 28.393 12.211 24.898
93 HD2 PHE 11 HD2 PHE 11 25.471 9.133 25.103
94 HE1 PHE 11 HE1 PHE 11 30.044 10.558 24.338
95 HE2 PHE 11 HE2 PHE 11 27.142 7.451 24.583
96 HZ PHE 11 HZ PHE 11 29.461 8.139 24.175
97 H ILE 12 HN ILE 12 26.635 14.244 25.503
98 HA ILE 12 HA ILE 12 24.425 15.222 26.855
99 HB ILE 12 HB ILE 12 27.215 16.236 26.858
100 HG12 ILE 12 HG12 ILE 12 27.444 14.314 28.670
101 HG13 ILE 12 HG11 ILE 12 26.344 13.550 27.519
102 HG21 ILE 12 HG21 ILE 12 25.290 15.692 29.227
103 HG22 ILE 12 HG22 ILE 12 25.320 17.260 28.336
104 HG23 ILE 12 HG23 ILE 12 26.782 16.704 29.234
105 HD11 ILE 12 HD11 ILE 12 28.398 12.988 26.568
106 HD12 ILE 12 HD12 ILE 12 29.097 14.580 27.013
107 HD13 ILE 12 HD13 ILE 12 27.969 14.484 25.651
108 H LEU 13 HN LEU 13 26.655 15.520 24.585
109 HA LEU 13 HA LEU 13 26.331 18.310 24.134
110 HB2 LEU 13 HB2 LEU 13 28.148 16.030 24.512
111 HB3 LEU 13 HB1 LEU 13 28.675 17.231 23.197
112 HG LEU 13 HG LEU 13 29.391 18.763 24.758
113 HD11 LEU 13 HD11 LEU 13 27.186 19.690 25.185
114 HD12 LEU 13 HD12 LEU 13 27.951 19.420 26.798
115 HD13 LEU 13 HD13 LEU 13 26.706 18.268 26.181
116 HD21 LEU 13 HD21 LEU 13 28.993 17.423 27.288
117 HD22 LEU 13 HD22 LEU 13 30.476 17.442 26.254
118 HD23 LEU 13 HD23 LEU 13 29.245 16.150 26.036
119 H GLN 14 HN GLN 14 25.688 15.287 22.989
120 HA GLN 14 HA GLN 14 26.361 15.089 20.401
121 HB2 GLN 14 HB2 GLN 14 23.936 14.090 20.189
122 HB3 GLN 14 HB1 GLN 14 25.101 13.319 21.358
123 HG2 GLN 14 HG2 GLN 14 24.231 14.767 23.208
124 HG3 GLN 14 HG1 GLN 14 23.047 15.514 22.068
125 HE21 GLN 14 HE21 GLN 14 21.188 14.696 23.201
126 HE22 GLN 14 HE22 GLN 14 20.738 13.026 23.142
127 H ARG 15 HN ARG 15 23.935 17.209 21.775
128 HA ARG 15 HA ARG 15 22.657 17.690 19.327
129 HB2 ARG 15 HB2 ARG 15 21.331 19.314 20.579
130 HB3 ARG 15 HB1 ARG 15 21.561 17.826 21.569
131 HG2 ARG 15 HG2 ARG 15 23.581 18.954 22.658
132 HG3 ARG 15 HG1 ARG 15 23.111 20.468 21.814
133 HD2 ARG 15 HD2 ARG 15 20.873 20.447 22.986
134 HD3 ARG 15 HD1 ARG 15 21.355 18.922 23.846
135 HE ARG 15 HE ARG 15 22.847 20.187 25.198
136 HH11 ARG 15 HH11 ARG 15 21.528 22.136 22.517
137 HH12 ARG 15 HH12 ARG 15 22.090 23.650 23.140
138 HH21 ARG 15 HH21 ARG 15 23.608 22.248 26.040
139 HH22 ARG 15 HH22 ARG 15 23.293 23.714 25.175
140 H LYS 16 HN LYS 16 25.489 19.022 20.884
141 HA LYS 16 HA LYS 16 25.278 21.361 19.133
142 HB2 LYS 16 HB2 LYS 16 25.470 22.322 21.288
143 HB3 LYS 16 HB1 LYS 16 26.418 20.925 21.910
144 HG2 LYS 16 HG2 LYS 16 28.420 21.663 20.759
145 HG3 LYS 16 HG1 LYS 16 27.517 22.918 19.841
146 HD2 LYS 16 HD2 LYS 16 28.722 24.035 21.626
147 HD3 LYS 16 HD1 LYS 16 26.977 24.056 22.053
148 HE2 LYS 16 HE2 LYS 16 27.310 22.155 23.637
149 HE3 LYS 16 HE1 LYS 16 29.058 22.051 23.165
150 HZ1 LYS 16 HZ1 LYS 16 27.649 24.247 24.574
151 HZ2 LYS 16 HZ2 LYS 16 29.186 24.439 23.878
152 HZ3 LYS 16 HZ3 LYS 16 28.948 23.294 25.110
153 H LYS 17 HN LYS 17 27.172 18.752 20.478
154 HA LYS 17 HA LYS 17 29.289 19.293 18.515
155 HB2 LYS 17 HB2 LYS 17 29.058 17.761 21.112
156 HB3 LYS 17 HB1 LYS 17 30.221 17.130 19.887
157 HG2 LYS 17 HG2 LYS 17 30.267 20.092 20.634
158 HG3 LYS 17 HG1 LYS 17 31.007 18.885 21.739
159 HD2 LYS 17 HD2 LYS 17 32.490 18.079 19.926
160 HD3 LYS 17 HD1 LYS 17 31.694 19.178 18.747
161 HE2 LYS 17 HE2 LYS 17 33.826 20.188 19.469
162 HE3 LYS 17 HE1 LYS 17 32.469 21.163 20.172
163 HZ1 LYS 17 HZ1 LYS 17 34.527 20.211 21.552
164 HZ2 LYS 17 HZ2 LYS 17 33.418 18.948 21.793
165 HZ3 LYS 17 HZ3 LYS 17 33.001 20.538 22.221
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 24.488 2.813 36.792
2 H2 ALA 1 HT2 ALA 1 25.491 1.445 36.713
3 H3 ALA 1 HT3 ALA 1 25.287 2.429 35.343
4 HA ALA 1 HA ALA 1 26.135 4.144 37.268
5 HB1 ALA 1 HB1 ALA 1 27.749 1.518 37.342
6 HB2 ALA 1 HB2 ALA 1 26.807 2.217 38.712
7 HB3 ALA 1 HB3 ALA 1 28.276 3.068 38.102
8 H MET 2 HN MET 2 27.333 1.709 34.856
9 HA MET 2 HA MET 2 28.557 3.987 33.460
10 HB2 MET 2 HB2 MET 2 29.747 1.158 33.674
11 HB3 MET 2 HB1 MET 2 30.378 2.491 32.645
12 HG2 MET 2 HG2 MET 2 30.242 2.468 35.722
13 HG3 MET 2 HG1 MET 2 31.709 2.209 34.728
14 HE1 MET 2 HE1 MET 2 32.675 3.571 33.205
15 HE2 MET 2 HE2 MET 2 32.810 5.362 33.270
16 HE3 MET 2 HE3 MET 2 31.481 4.596 32.334
17 H ARG 3 HN ARG 3 28.952 3.522 31.209
18 HA ARG 3 HA ARG 3 27.828 1.532 29.761
19 HB2 ARG 3 HB2 ARG 3 25.543 2.153 30.466
20 HB3 ARG 3 HB1 ARG 3 26.007 3.900 30.414
21 HG2 ARG 3 HG2 ARG 3 26.135 3.923 28.028
22 HG3 ARG 3 HG1 ARG 3 26.014 2.134 27.916
23 HD2 ARG 3 HD2 ARG 3 23.746 3.905 29.064
24 HD3 ARG 3 HD1 ARG 3 23.837 3.377 27.325
25 HE ARG 3 HE ARG 3 24.133 1.048 28.967
26 HH11 ARG 3 HH11 ARG 3 21.762 3.583 28.168
27 HH12 ARG 3 HH12 ARG 3 20.373 2.580 28.422
28 HH21 ARG 3 HH21 ARG 3 22.246 -0.317 29.312
29 HH22 ARG 3 HH22 ARG 3 20.654 0.324 29.084
30 H LEU 4 HN LEU 4 28.216 4.823 30.563
31 HA LEU 4 HA LEU 4 28.354 6.085 28.254
32 HB2 LEU 4 HB2 LEU 4 30.005 6.581 30.801
33 HB3 LEU 4 HB1 LEU 4 29.844 7.779 29.476
34 HG LEU 4 HG LEU 4 28.023 7.135 31.708
35 HD11 LEU 4 HD11 LEU 4 28.054 9.400 31.821
36 HD12 LEU 4 HD12 LEU 4 27.309 9.541 30.186
37 HD13 LEU 4 HD13 LEU 4 29.099 9.440 30.351
38 HD21 LEU 4 HD21 LEU 4 25.960 7.864 30.097
39 HD22 LEU 4 HD22 LEU 4 26.372 6.138 30.411
40 HD23 LEU 4 HD23 LEU 4 26.901 6.928 28.878
41 H SER 5 HN SER 5 29.344 5.174 26.570
42 HA SER 5 HA SER 5 32.039 4.121 26.857
43 HB2 SER 5 HB2 SER 5 30.305 2.811 25.542
44 HB3 SER 5 HB1 SER 5 30.274 4.155 24.336
45 HG SER 5 HG SER 5 32.463 3.787 23.970
46 H DPP 6 HN DPP 6 30.740 5.953 23.939
47 HA DPP 6 HA DPP 6 33.300 7.222 23.671
48 HB2 DPP 6 HB2 DPP 6 31.416 6.704 21.728
49 HB3 DPP 6 HB3 DPP 6 32.518 8.119 21.576
50 H PHE 7 HN PHE 7 32.004 7.675 26.301
51 HA PHE 7 HA PHE 7 30.438 9.869 26.032
52 HB2 PHE 7 HB2 PHE 7 31.151 8.502 28.378
53 HB3 PHE 7 HB1 PHE 7 31.278 10.314 28.589
54 HD1 PHE 7 HD1 PHE 7 29.102 7.613 27.529
55 HD2 PHE 7 HD2 PHE 7 29.524 11.724 28.194
56 HE1 PHE 7 HE1 PHE 7 26.716 7.919 27.307
57 HE2 PHE 7 HE2 PHE 7 27.177 12.028 27.939
58 HZ PHE 7 HZ PHE 7 25.845 10.114 27.563
59 H PHE 8 HN PHE 8 30.234 11.537 26.471
60 HA PHE 8 HA PHE 8 30.355 13.482 26.649
61 HB2 PHE 8 HB2 PHE 8 33.163 12.962 27.694
62 HB3 PHE 8 HB1 PHE 8 32.751 14.678 27.194
63 HD1 PHE 8 HD1 PHE 8 31.911 11.905 29.378
64 HD2 PHE 8 HD2 PHE 8 30.895 15.696 27.870
65 HE1 PHE 8 HE1 PHE 8 29.903 11.866 30.717
66 HE2 PHE 8 HE2 PHE 8 28.932 15.752 29.192
67 HZ PHE 8 HZ PHE 8 28.407 13.832 30.667
68 H ARG 9 HN ARG 9 30.317 15.008 25.813
69 HA ARG 9 HA ARG 9 29.946 16.204 24.280
70 HB2 ARG 9 HB2 ARG 9 32.672 15.768 23.023
71 HB3 ARG 9 HB1 ARG 9 31.644 17.235 22.869
72 HG2 ARG 9 HG2 ARG 9 32.614 18.151 24.700
73 HG3 ARG 9 HG1 ARG 9 32.060 16.763 25.711
74 HD2 ARG 9 HD2 ARG 9 34.708 16.961 24.113
75 HD3 ARG 9 HD1 ARG 9 34.491 16.858 25.923
76 HE ARG 9 HE ARG 9 33.129 14.625 24.694
77 HH11 ARG 9 HH11 ARG 9 36.407 15.972 25.266
78 HH12 ARG 9 HH12 ARG 9 37.204 14.435 25.301
79 HH21 ARG 9 HH21 ARG 9 34.236 12.539 24.745
80 HH22 ARG 9 HH22 ARG 9 35.948 12.448 25.000
81 H GLN 10 HN GLN 10 28.666 14.063 24.006
82 HA GLN 10 HA GLN 10 28.471 13.792 21.276
83 HB2 GLN 10 HB2 GLN 10 30.486 12.561 21.355
84 HB3 GLN 10 HB1 GLN 10 30.157 12.136 23.076
85 HG2 GLN 10 HG2 GLN 10 28.535 10.399 22.350
86 HG3 GLN 10 HG1 GLN 10 28.778 10.825 20.619
87 HE21 GLN 10 HE21 GLN 10 29.647 8.326 22.629
88 H PHE 11 HN PHE 11 27.282 13.719 24.331
89 HA PHE 11 HA PHE 11 25.035 12.049 23.541
90 HB2 PHE 11 HB2 PHE 11 26.460 12.291 26.156
91 HB3 PHE 11 HB1 PHE 11 25.043 11.186 25.838
92 HD1 PHE 11 HD1 PHE 11 28.401 12.183 24.898
93 HD2 PHE 11 HD2 PHE 11 25.476 9.109 25.105
94 HE1 PHE 11 HE1 PHE 11 30.052 10.527 24.343
95 HE2 PHE 11 HE2 PHE 11 27.145 7.423 24.589
96 HZ PHE 11 HZ PHE 11 29.467 8.109 24.184
97 H ILE 12 HN ILE 12 26.637 14.217 25.491
98 HA ILE 12 HA ILE 12 24.423 15.202 26.833
99 HB ILE 12 HB ILE 12 27.214 16.217 26.837
100 HG12 ILE 12 HG12 ILE 12 27.443 14.305 28.657
101 HG13 ILE 12 HG11 ILE 12 26.346 13.533 27.509
102 HG21 ILE 12 HG21 ILE 12 26.775 16.658 29.230
103 HG22 ILE 12 HG22 ILE 12 25.249 15.696 29.182
104 HG23 ILE 12 HG23 ILE 12 25.351 17.271 28.305
105 HD11 ILE 12 HD11 ILE 12 28.401 12.971 26.560
106 HD12 ILE 12 HD12 ILE 12 29.099 14.564 27.003
107 HD13 ILE 12 HD13 ILE 12 27.972 14.465 25.640
108 H LEU 13 HN LEU 13 26.663 15.487 24.566
109 HA LEU 13 HA LEU 13 26.340 18.274 24.094
110 HB2 LEU 13 HB2 LEU 13 28.156 16.001 24.503
111 HB3 LEU 13 HB1 LEU 13 28.691 17.193 23.183
112 HG LEU 13 HG LEU 13 29.387 18.743 24.737
113 HD11 LEU 13 HD11 LEU 13 27.935 19.403 26.766
114 HD12 LEU 13 HD12 LEU 13 26.701 18.238 26.153
115 HD13 LEU 13 HD13 LEU 13 27.174 19.656 25.149
116 HD21 LEU 13 HD21 LEU 13 29.263 16.137 26.026
117 HD22 LEU 13 HD22 LEU 13 28.987 17.408 27.271
118 HD23 LEU 13 HD23 LEU 13 30.476 17.444 26.248
119 H GLN 14 HN GLN 14 25.634 15.279 22.975
120 HA GLN 14 HA GLN 14 26.363 15.042 20.390
121 HB2 GLN 14 HB2 GLN 14 23.923 14.069 20.166
122 HB3 GLN 14 HB1 GLN 14 25.080 13.290 21.341
123 HG2 GLN 14 HG2 GLN 14 24.217 14.700 23.195
124 HG3 GLN 14 HG1 GLN 14 23.101 15.549 22.065
125 HE21 GLN 14 HE21 GLN 14 23.859 12.013 21.902
126 HE22 GLN 14 HE22 GLN 14 22.260 11.469 22.281
127 H ARG 15 HN ARG 15 23.968 17.221 21.738
128 HA ARG 15 HA ARG 15 22.791 17.705 19.210
129 HB2 ARG 15 HB2 ARG 15 21.296 19.205 20.423
130 HB3 ARG 15 HB1 ARG 15 21.517 17.685 21.368
131 HG2 ARG 15 HG2 ARG 15 23.528 18.976 22.509
132 HG3 ARG 15 HG1 ARG 15 22.710 20.448 21.879
133 HD2 ARG 15 HD2 ARG 15 21.274 18.331 23.626
134 HD3 ARG 15 HD1 ARG 15 22.030 19.853 24.274
135 HE ARG 15 HE ARG 15 20.299 20.595 22.120
136 HH11 ARG 15 HH11 ARG 15 20.190 19.110 25.355
137 HH12 ARG 15 HH12 ARG 15 18.606 19.695 25.740
138 HH21 ARG 15 HH21 ARG 15 18.143 21.391 22.642
139 HH22 ARG 15 HH22 ARG 15 17.422 21.013 24.170
140 H LYS 16 HN LYS 16 25.482 18.980 20.985
141 HA LYS 16 HA LYS 16 25.263 21.527 19.525
142 HB2 LYS 16 HB2 LYS 16 27.135 20.745 21.837
143 HB3 LYS 16 HB1 LYS 16 26.983 22.388 21.106
144 HG2 LYS 16 HG2 LYS 16 24.581 22.456 21.865
145 HG3 LYS 16 HG1 LYS 16 24.825 20.849 22.635
146 HD2 LYS 16 HD2 LYS 16 26.583 21.800 24.118
147 HD3 LYS 16 HD1 LYS 16 26.408 23.402 23.326
148 HE2 LYS 16 HE2 LYS 16 25.174 23.382 25.482
149 HE3 LYS 16 HE1 LYS 16 23.989 23.487 24.115
150 HZ1 LYS 16 HZ1 LYS 16 24.753 20.840 25.128
151 HZ2 LYS 16 HZ2 LYS 16 23.288 21.386 24.468
152 HZ3 LYS 16 HZ3 LYS 16 23.709 21.800 26.059
153 H LYS 17 HN LYS 17 27.110 18.774 20.463
154 HA LYS 17 HA LYS 17 29.141 19.408 18.422
155 HB2 LYS 17 HB2 LYS 17 29.045 17.715 20.930
156 HB3 LYS 17 HB1 LYS 17 30.129 17.162 19.601
157 HG2 LYS 17 HG2 LYS 17 30.202 19.987 20.829
158 HG3 LYS 17 HG1 LYS 17 31.238 18.627 21.375
159 HD2 LYS 17 HD2 LYS 17 31.176 19.676 18.478
160 HD3 LYS 17 HD1 LYS 17 32.324 20.259 19.728
161 HE2 LYS 17 HE2 LYS 17 33.186 17.885 20.002
162 HE3 LYS 17 HE1 LYS 17 32.086 17.367 18.657
163 HZ1 LYS 17 HZ1 LYS 17 34.617 18.591 18.531
164 HZ2 LYS 17 HZ2 LYS 17 33.478 19.607 17.784
165 HZ3 LYS 17 HZ3 LYS 17 33.641 17.994 17.276
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 27.185 -0.709 36.079
2 H2 ALA 1 HT2 ALA 1 28.809 -0.215 36.159
3 H3 ALA 1 HT3 ALA 1 27.889 0.110 34.768
4 HA ALA 1 HA ALA 1 26.416 1.227 36.717
5 HB1 ALA 1 HB1 ALA 1 28.040 2.667 38.020
6 HB2 ALA 1 HB2 ALA 1 29.404 1.764 37.256
7 HB3 ALA 1 HB3 ALA 1 28.270 0.912 38.371
8 H MET 2 HN MET 2 29.409 1.847 34.752
9 HA MET 2 HA MET 2 28.079 4.290 33.770
10 HB2 MET 2 HB2 MET 2 30.968 3.312 33.503
11 HB3 MET 2 HB1 MET 2 30.296 4.760 32.684
12 HG2 MET 2 HG2 MET 2 29.851 5.847 34.854
13 HG3 MET 2 HG1 MET 2 30.358 4.375 35.739
14 HE1 MET 2 HE1 MET 2 32.822 7.552 33.514
15 HE2 MET 2 HE2 MET 2 31.051 7.245 33.530
16 HE3 MET 2 HE3 MET 2 32.127 6.241 32.498
17 H ARG 3 HN ARG 3 26.802 3.801 32.206
18 HA ARG 3 HA ARG 3 27.437 1.811 30.341
19 HB2 ARG 3 HB2 ARG 3 25.076 2.499 30.743
20 HB3 ARG 3 HB1 ARG 3 25.546 4.203 30.373
21 HG2 ARG 3 HG2 ARG 3 25.999 3.676 28.056
22 HG3 ARG 3 HG1 ARG 3 25.757 1.913 28.340
23 HD2 ARG 3 HD2 ARG 3 23.328 2.319 28.878
24 HD3 ARG 3 HD1 ARG 3 23.568 4.099 28.598
25 HE ARG 3 HE ARG 3 23.465 1.971 26.525
26 HH11 ARG 3 HH11 ARG 3 24.344 5.312 27.414
27 HH12 ARG 3 HH12 ARG 3 24.325 5.909 25.788
28 HH21 ARG 3 HH21 ARG 3 23.442 2.788 24.321
29 HH22 ARG 3 HH22 ARG 3 23.805 4.450 24.002
30 H LEU 4 HN LEU 4 27.520 5.204 30.741
31 HA LEU 4 HA LEU 4 27.994 6.315 28.501
32 HB2 LEU 4 HB2 LEU 4 29.588 6.845 31.081
33 HB3 LEU 4 HB1 LEU 4 29.496 8.001 29.711
34 HG LEU 4 HG LEU 4 27.608 7.495 31.920
35 HD11 LEU 4 HD11 LEU 4 26.989 9.858 30.297
36 HD12 LEU 4 HD12 LEU 4 28.774 9.715 30.493
37 HD13 LEU 4 HD13 LEU 4 27.708 9.760 31.949
38 HD21 LEU 4 HD21 LEU 4 26.541 7.209 29.077
39 HD22 LEU 4 HD22 LEU 4 25.601 8.214 30.237
40 HD23 LEU 4 HD23 LEU 4 25.959 6.491 30.628
41 H SER 5 HN SER 5 29.010 5.334 26.874
42 HA SER 5 HA SER 5 31.661 4.204 27.299
43 HB2 SER 5 HB2 SER 5 29.803 4.126 24.850
44 HB3 SER 5 HB1 SER 5 31.439 3.355 24.910
45 HG SER 5 HG SER 5 29.606 2.828 26.967
46 H DPP 6 HN DPP 6 30.455 5.960 24.294
47 HA DPP 6 HA DPP 6 33.066 7.127 24.013
48 HB2 DPP 6 HB2 DPP 6 31.196 6.581 22.061
49 HB3 DPP 6 HB3 DPP 6 32.354 7.946 21.864
50 H PHE 7 HN PHE 7 31.716 7.721 26.593
51 HA PHE 7 HA PHE 7 30.233 9.951 26.203
52 HB2 PHE 7 HB2 PHE 7 30.850 8.655 28.616
53 HB3 PHE 7 HB1 PHE 7 31.031 10.469 28.761
54 HD1 PHE 7 HD1 PHE 7 28.792 7.798 27.765
55 HD2 PHE 7 HD2 PHE 7 29.332 11.918 28.261
56 HE1 PHE 7 HE1 PHE 7 26.422 8.167 27.477
57 HE2 PHE 7 HE2 PHE 7 27.002 12.283 27.941
58 HZ PHE 7 HZ PHE 7 25.618 10.398 27.618
59 H PHE 8 HN PHE 8 30.075 11.642 26.569
60 HA PHE 8 HA PHE 8 30.256 13.588 26.677
61 HB2 PHE 8 HB2 PHE 8 33.021 13.020 27.807
62 HB3 PHE 8 HB1 PHE 8 32.675 14.727 27.234
63 HD1 PHE 8 HD1 PHE 8 31.700 12.066 29.500
64 HD2 PHE 8 HD2 PHE 8 30.837 15.827 27.828
65 HE1 PHE 8 HE1 PHE 8 29.661 12.138 30.791
66 HE2 PHE 8 HE2 PHE 8 28.848 15.993 29.100
67 HZ PHE 8 HZ PHE 8 28.229 14.147 30.632
68 H ARG 9 HN ARG 9 30.288 15.083 25.784
69 HA ARG 9 HA ARG 9 29.989 16.229 24.196
70 HB2 ARG 9 HB2 ARG 9 32.728 15.658 23.025
71 HB3 ARG 9 HB1 ARG 9 31.756 17.152 22.794
72 HG2 ARG 9 HG2 ARG 9 32.712 18.100 24.617
73 HG3 ARG 9 HG1 ARG 9 32.093 16.765 25.662
74 HD2 ARG 9 HD2 ARG 9 34.778 16.821 24.114
75 HD3 ARG 9 HD1 ARG 9 34.523 16.797 25.921
76 HE ARG 9 HE ARG 9 33.114 14.562 24.749
77 HH11 ARG 9 HH11 ARG 9 36.422 15.824 25.342
78 HH12 ARG 9 HH12 ARG 9 37.166 14.264 25.457
79 HH21 ARG 9 HH21 ARG 9 34.148 12.444 24.909
80 HH22 ARG 9 HH22 ARG 9 35.851 12.309 25.207
81 H GLN 10 HN GLN 10 28.658 14.111 23.980
82 HA GLN 10 HA GLN 10 28.514 13.739 21.257
83 HB2 GLN 10 HB2 GLN 10 30.491 12.454 21.439
84 HB3 GLN 10 HB1 GLN 10 30.101 12.104 23.162
85 HG2 GLN 10 HG2 GLN 10 28.442 10.395 22.456
86 HG3 GLN 10 HG1 GLN 10 28.746 10.748 20.717
87 HE21 GLN 10 HE21 GLN 10 29.472 8.301 22.843
88 H PHE 11 HN PHE 11 27.245 13.839 24.273
89 HA PHE 11 HA PHE 11 24.965 12.208 23.495
90 HB2 PHE 11 HB2 PHE 11 26.330 12.505 26.139
91 HB3 PHE 11 HB1 PHE 11 24.887 11.433 25.824
92 HD1 PHE 11 HD1 PHE 11 28.301 12.287 24.933
93 HD2 PHE 11 HD2 PHE 11 25.277 9.313 25.193
94 HE1 PHE 11 HE1 PHE 11 29.909 10.561 24.475
95 HE2 PHE 11 HE2 PHE 11 26.903 7.559 24.782
96 HZ PHE 11 HZ PHE 11 29.254 8.157 24.412
97 H ILE 12 HN ILE 12 26.594 14.393 25.408
98 HA ILE 12 HA ILE 12 24.384 15.500 26.655
99 HB ILE 12 HB ILE 12 27.204 16.424 26.691
100 HG12 ILE 12 HG12 ILE 12 27.326 14.576 28.587
101 HG13 ILE 12 HG11 ILE 12 26.231 13.798 27.441
102 HG21 ILE 12 HG21 ILE 12 25.201 16.041 29.027
103 HG22 ILE 12 HG22 ILE 12 25.304 17.570 28.072
104 HG23 ILE 12 HG23 ILE 12 26.724 17.007 29.033
105 HD11 ILE 12 HD11 ILE 12 29.027 14.715 26.964
106 HD12 ILE 12 HD12 ILE 12 27.929 14.605 25.578
107 HD13 ILE 12 HD13 ILE 12 28.290 13.133 26.568
108 H LEU 13 HN LEU 13 26.677 15.629 24.431
109 HA LEU 13 HA LEU 13 26.454 18.409 23.864
110 HB2 LEU 13 HB2 LEU 13 28.187 16.091 24.377
111 HB3 LEU 13 HB1 LEU 13 28.786 17.220 23.029
112 HG LEU 13 HG LEU 13 29.512 18.790 24.546
113 HD11 LEU 13 HD11 LEU 13 26.779 18.440 25.920
114 HD12 LEU 13 HD12 LEU 13 27.325 19.801 24.873
115 HD13 LEU 13 HD13 LEU 13 28.044 19.581 26.515
116 HD21 LEU 13 HD21 LEU 13 29.006 17.571 27.117
117 HD22 LEU 13 HD22 LEU 13 30.514 17.496 26.122
118 HD23 LEU 13 HD23 LEU 13 29.244 16.240 25.926
119 H GLN 14 HN GLN 14 25.746 15.363 22.815
120 HA GLN 14 HA GLN 14 26.491 15.068 20.246
121 HB2 GLN 14 HB2 GLN 14 24.068 14.085 20.005
122 HB3 GLN 14 HB1 GLN 14 25.185 13.347 21.241
123 HG2 GLN 14 HG2 GLN 14 24.276 14.874 23.004
124 HG3 GLN 14 HG1 GLN 14 23.140 15.593 21.797
125 HE21 GLN 14 HE21 GLN 14 21.186 14.859 22.735
126 HE22 GLN 14 HE22 GLN 14 20.728 13.191 22.787
127 H ARG 15 HN ARG 15 24.058 17.267 21.497
128 HA ARG 15 HA ARG 15 22.943 17.688 18.926
129 HB2 ARG 15 HB2 ARG 15 21.372 19.148 20.066
130 HB3 ARG 15 HB1 ARG 15 21.626 17.671 21.071
131 HG2 ARG 15 HG2 ARG 15 23.547 19.055 22.227
132 HG3 ARG 15 HG1 ARG 15 22.744 20.486 21.493
133 HD2 ARG 15 HD2 ARG 15 21.822 20.261 23.746
134 HD3 ARG 15 HD1 ARG 15 20.529 19.656 22.617
135 HE ARG 15 HE ARG 15 22.299 17.493 23.472
136 HH11 ARG 15 HH11 ARG 15 19.602 19.608 24.439
137 HH12 ARG 15 HH12 ARG 15 18.927 18.489 25.575
138 HH21 ARG 15 HH21 ARG 15 21.389 15.972 25.023
139 HH22 ARG 15 HH22 ARG 15 19.962 16.385 25.912
140 H LYS 16 HN LYS 16 25.576 19.029 20.735
141 HA LYS 16 HA LYS 16 25.335 21.554 19.236
142 HB2 LYS 16 HB2 LYS 16 27.190 20.851 21.587
143 HB3 LYS 16 HB1 LYS 16 26.998 22.480 20.833
144 HG2 LYS 16 HG2 LYS 16 24.594 22.497 21.566
145 HG3 LYS 16 HG1 LYS 16 24.855 20.896 22.341
146 HD2 LYS 16 HD2 LYS 16 26.590 21.893 23.838
147 HD3 LYS 16 HD1 LYS 16 26.346 23.496 23.062
148 HE2 LYS 16 HE2 LYS 16 23.963 23.528 23.859
149 HE3 LYS 16 HE1 LYS 16 24.204 21.907 24.635
150 HZ1 LYS 16 HZ1 LYS 16 25.139 22.870 26.347
151 HZ2 LYS 16 HZ2 LYS 16 24.708 24.384 25.709
152 HZ3 LYS 16 HZ3 LYS 16 26.245 23.733 25.391
153 H LYS 17 HN LYS 17 27.188 18.832 20.231
154 HA LYS 17 HA LYS 17 29.290 19.481 18.274
155 HB2 LYS 17 HB2 LYS 17 29.051 17.522 20.605
156 HB3 LYS 17 HB1 LYS 17 30.335 17.309 19.357
157 HG2 LYS 17 HG2 LYS 17 29.927 19.887 20.995
158 HG3 LYS 17 HG1 LYS 17 31.052 18.567 21.462
159 HD2 LYS 17 HD2 LYS 17 32.262 18.859 19.265
160 HD3 LYS 17 HD1 LYS 17 31.167 20.228 18.868
161 HE2 LYS 17 HE2 LYS 17 31.992 21.481 20.886
162 HE3 LYS 17 HE1 LYS 17 33.094 20.098 21.287
163 HZ1 LYS 17 HZ1 LYS 17 34.489 20.670 19.680
164 HZ2 LYS 17 HZ2 LYS 17 33.749 22.194 19.781
165 HZ3 LYS 17 HZ3 LYS 17 33.277 21.100 18.573
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 27.528 0.207 35.168
2 H2 ALA 1 HT2 ALA 1 26.849 -0.446 36.581
3 H3 ALA 1 HT3 ALA 1 28.510 -0.092 36.521
4 HA ALA 1 HA ALA 1 26.283 1.595 37.096
5 HB1 ALA 1 HB1 ALA 1 28.221 1.213 38.656
6 HB2 ALA 1 HB2 ALA 1 28.076 2.959 38.223
7 HB3 ALA 1 HB3 ALA 1 29.330 1.932 37.428
8 H MET 2 HN MET 2 29.174 1.762 34.912
9 HA MET 2 HA MET 2 27.978 4.213 33.775
10 HB2 MET 2 HB2 MET 2 30.832 3.109 33.595
11 HB3 MET 2 HB1 MET 2 30.213 4.506 32.651
12 HG2 MET 2 HG2 MET 2 29.782 5.773 34.740
13 HG3 MET 2 HG1 MET 2 30.296 4.368 35.727
14 HE1 MET 2 HE1 MET 2 32.029 5.981 32.317
15 HE2 MET 2 HE2 MET 2 32.718 7.363 33.235
16 HE3 MET 2 HE3 MET 2 30.951 7.041 33.291
17 H ARG 3 HN ARG 3 27.014 4.047 32.001
18 HA ARG 3 HA ARG 3 27.497 1.756 30.339
19 HB2 ARG 3 HB2 ARG 3 25.123 2.403 30.662
20 HB3 ARG 3 HB1 ARG 3 25.569 4.123 30.334
21 HG2 ARG 3 HG2 ARG 3 26.031 3.681 28.014
22 HG3 ARG 3 HG1 ARG 3 25.896 1.900 28.243
23 HD2 ARG 3 HD2 ARG 3 23.536 3.852 28.714
24 HD3 ARG 3 HD1 ARG 3 23.833 2.973 27.148
25 HE ARG 3 HE ARG 3 23.876 1.027 29.240
26 HH11 ARG 3 HH11 ARG 3 21.668 3.373 27.723
27 HH12 ARG 3 HH12 ARG 3 20.234 2.450 28.018
28 HH21 ARG 3 HH21 ARG 3 21.925 -0.233 29.642
29 HH22 ARG 3 HH22 ARG 3 20.383 0.364 29.129
30 H LEU 4 HN LEU 4 27.573 5.145 30.690
31 HA LEU 4 HA LEU 4 28.043 6.252 28.453
32 HB2 LEU 4 HB2 LEU 4 29.623 6.762 31.044
33 HB3 LEU 4 HB1 LEU 4 29.556 7.927 29.676
34 HG LEU 4 HG LEU 4 27.652 7.441 31.871
35 HD11 LEU 4 HD11 LEU 4 28.824 9.644 30.432
36 HD12 LEU 4 HD12 LEU 4 27.744 9.706 31.875
37 HD13 LEU 4 HD13 LEU 4 27.041 9.787 30.217
38 HD21 LEU 4 HD21 LEU 4 26.584 7.138 29.027
39 HD22 LEU 4 HD22 LEU 4 25.643 8.138 30.190
40 HD23 LEU 4 HD23 LEU 4 26.011 6.417 30.580
41 H SER 5 HN SER 5 29.061 5.304 26.815
42 HA SER 5 HA SER 5 31.695 4.137 27.214
43 HB2 SER 5 HB2 SER 5 31.409 3.522 24.674
44 HB3 SER 5 HB1 SER 5 30.343 2.684 25.871
45 HG SER 5 HG SER 5 28.895 3.404 24.546
46 H DPP 6 HN DPP 6 30.583 5.904 24.204
47 HA DPP 6 HA DPP 6 33.181 7.107 23.997
48 HB2 DPP 6 HB2 DPP 6 31.361 6.568 22.002
49 HB3 DPP 6 HB3 DPP 6 32.498 7.955 21.846
50 H PHE 7 HN PHE 7 31.797 7.684 26.557
51 HA PHE 7 HA PHE 7 30.298 9.901 26.164
52 HB2 PHE 7 HB2 PHE 7 30.907 8.603 28.577
53 HB3 PHE 7 HB1 PHE 7 31.069 10.418 28.728
54 HD1 PHE 7 HD1 PHE 7 28.867 7.727 27.717
55 HD2 PHE 7 HD2 PHE 7 29.361 11.853 28.211
56 HE1 PHE 7 HE1 PHE 7 26.494 8.071 27.412
57 HE2 PHE 7 HE2 PHE 7 27.030 12.195 27.873
58 HZ PHE 7 HZ PHE 7 25.665 10.296 27.545
59 H PHE 8 HN PHE 8 30.119 11.588 26.526
60 HA PHE 8 HA PHE 8 30.278 13.536 26.641
61 HB2 PHE 8 HB2 PHE 8 33.040 12.994 27.798
62 HB3 PHE 8 HB1 PHE 8 32.679 14.700 27.226
63 HD1 PHE 8 HD1 PHE 8 31.713 12.023 29.476
64 HD2 PHE 8 HD2 PHE 8 30.822 15.775 27.803
65 HE1 PHE 8 HE1 PHE 8 29.662 12.069 30.750
66 HE2 PHE 8 HE2 PHE 8 28.820 15.916 29.056
67 HZ PHE 8 HZ PHE 8 28.209 14.062 30.581
68 H ARG 9 HN ARG 9 30.297 15.026 25.748
69 HA ARG 9 HA ARG 9 30.010 16.177 24.161
70 HB2 ARG 9 HB2 ARG 9 32.761 15.623 23.014
71 HB3 ARG 9 HB1 ARG 9 31.781 17.108 22.770
72 HG2 ARG 9 HG2 ARG 9 32.705 18.068 24.604
73 HG3 ARG 9 HG1 ARG 9 32.099 16.722 25.642
74 HD2 ARG 9 HD2 ARG 9 34.791 16.814 24.110
75 HD3 ARG 9 HD1 ARG 9 34.526 16.786 25.916
76 HE ARG 9 HE ARG 9 33.150 14.536 24.730
77 HH11 ARG 9 HH11 ARG 9 36.437 15.832 25.365
78 HH12 ARG 9 HH12 ARG 9 37.196 14.281 25.483
79 HH21 ARG 9 HH21 ARG 9 34.205 12.431 24.893
80 HH22 ARG 9 HH22 ARG 9 35.905 12.312 25.209
81 H GLN 10 HN GLN 10 28.690 14.050 23.925
82 HA GLN 10 HA GLN 10 28.574 13.690 21.201
83 HB2 GLN 10 HB2 GLN 10 30.559 12.421 21.382
84 HB3 GLN 10 HB1 GLN 10 30.173 12.068 23.107
85 HG2 GLN 10 HG2 GLN 10 28.535 10.336 22.396
86 HG3 GLN 10 HG1 GLN 10 28.843 10.689 20.659
87 HE21 GLN 10 HE21 GLN 10 29.596 8.254 22.789
88 H PHE 11 HN PHE 11 27.289 13.753 24.210
89 HA PHE 11 HA PHE 11 25.040 12.089 23.417
90 HB2 PHE 11 HB2 PHE 11 26.381 12.419 26.065
91 HB3 PHE 11 HB1 PHE 11 24.955 11.327 25.747
92 HD1 PHE 11 HD1 PHE 11 28.361 12.225 24.866
93 HD2 PHE 11 HD2 PHE 11 25.379 9.209 25.127
94 HE1 PHE 11 HE1 PHE 11 29.995 10.522 24.420
95 HE2 PHE 11 HE2 PHE 11 27.031 7.477 24.727
96 HZ PHE 11 HZ PHE 11 29.374 8.107 24.361
97 H ILE 12 HN ILE 12 26.619 14.312 25.328
98 HA ILE 12 HA ILE 12 24.381 15.384 26.558
99 HB ILE 12 HB ILE 12 27.192 16.338 26.634
100 HG12 ILE 12 HG12 ILE 12 27.312 14.483 28.522
101 HG13 ILE 12 HG11 ILE 12 26.241 13.697 27.361
102 HG21 ILE 12 HG21 ILE 12 25.107 15.947 28.902
103 HG22 ILE 12 HG22 ILE 12 25.328 17.494 28.000
104 HG23 ILE 12 HG23 ILE 12 26.671 16.838 29.011
105 HD11 ILE 12 HD11 ILE 12 27.951 14.532 25.523
106 HD12 ILE 12 HD12 ILE 12 28.314 13.060 26.506
107 HD13 ILE 12 HD13 ILE 12 29.031 14.647 26.926
108 H LEU 13 HN LEU 13 26.711 15.568 24.367
109 HA LEU 13 HA LEU 13 26.474 18.358 23.856
110 HB2 LEU 13 HB2 LEU 13 28.213 16.040 24.343
111 HB3 LEU 13 HB1 LEU 13 28.823 17.197 23.022
112 HG LEU 13 HG LEU 13 29.513 18.751 24.575
113 HD11 LEU 13 HD11 LEU 13 26.771 18.335 25.909
114 HD12 LEU 13 HD12 LEU 13 27.319 19.732 24.915
115 HD13 LEU 13 HD13 LEU 13 28.016 19.467 26.558
116 HD21 LEU 13 HD21 LEU 13 29.262 16.167 25.893
117 HD22 LEU 13 HD22 LEU 13 29.009 17.470 27.112
118 HD23 LEU 13 HD23 LEU 13 30.519 17.429 26.122
119 H GLN 14 HN GLN 14 25.760 15.361 22.713
120 HA GLN 14 HA GLN 14 26.584 15.212 20.126
121 HB2 GLN 14 HB2 GLN 14 24.223 14.101 19.826
122 HB3 GLN 14 HB1 GLN 14 25.389 13.364 21.019
123 HG2 GLN 14 HG2 GLN 14 24.393 14.680 22.869
124 HG3 GLN 14 HG1 GLN 14 23.257 15.479 21.725
125 HE21 GLN 14 HE21 GLN 14 24.225 12.010 21.456
126 HE22 GLN 14 HE22 GLN 14 22.659 11.357 21.797
127 H ARG 15 HN ARG 15 24.111 17.263 21.518
128 HA ARG 15 HA ARG 15 22.936 17.745 18.978
129 HB2 ARG 15 HB2 ARG 15 21.325 19.109 20.189
130 HB3 ARG 15 HB1 ARG 15 21.617 17.584 21.106
131 HG2 ARG 15 HG2 ARG 15 23.343 18.805 22.504
132 HG3 ARG 15 HG1 ARG 15 22.894 20.325 21.663
133 HD2 ARG 15 HD2 ARG 15 20.521 20.109 22.507
134 HD3 ARG 15 HD1 ARG 15 20.992 18.588 23.389
135 HE ARG 15 HE ARG 15 22.820 20.677 24.137
136 HH11 ARG 15 HH11 ARG 15 19.392 19.742 24.397
137 HH12 ARG 15 HH12 ARG 15 19.138 20.510 25.927
138 HH21 ARG 15 HH21 ARG 15 22.477 21.719 26.222
139 HH22 ARG 15 HH22 ARG 15 20.923 21.654 26.983
140 H LYS 16 HN LYS 16 25.522 19.110 20.852
141 HA LYS 16 HA LYS 16 25.153 21.698 19.497
142 HB2 LYS 16 HB2 LYS 16 27.131 20.939 21.727
143 HB3 LYS 16 HB1 LYS 16 26.809 22.601 21.101
144 HG2 LYS 16 HG2 LYS 16 24.435 22.401 21.928
145 HG3 LYS 16 HG1 LYS 16 24.852 20.787 22.605
146 HD2 LYS 16 HD2 LYS 16 26.639 21.880 24.023
147 HD3 LYS 16 HD1 LYS 16 26.122 23.484 23.399
148 HE2 LYS 16 HE2 LYS 16 24.313 21.524 24.972
149 HE3 LYS 16 HE1 LYS 16 25.124 22.994 25.655
150 HZ1 LYS 16 HZ1 LYS 16 22.744 22.760 24.095
151 HZ2 LYS 16 HZ2 LYS 16 23.830 23.878 23.419
152 HZ3 LYS 16 HZ3 LYS 16 23.325 24.055 25.030
153 H LYS 17 HN LYS 17 27.063 18.953 20.220
154 HA LYS 17 HA LYS 17 28.961 19.712 18.076
155 HB2 LYS 17 HB2 LYS 17 29.274 18.053 20.625
156 HB3 LYS 17 HB1 LYS 17 30.476 17.964 19.281
157 HG2 LYS 17 HG2 LYS 17 30.873 20.435 19.491
158 HG3 LYS 17 HG1 LYS 17 29.689 20.506 20.841
159 HD2 LYS 17 HD2 LYS 17 31.109 18.952 22.179
160 HD3 LYS 17 HD1 LYS 17 32.288 18.848 20.825
161 HE2 LYS 17 HE2 LYS 17 32.747 21.311 21.031
162 HE3 LYS 17 HE1 LYS 17 31.552 21.417 22.391
163 HZ1 LYS 17 HZ1 LYS 17 33.031 20.611 23.782
164 HZ2 LYS 17 HZ2 LYS 17 34.206 20.859 22.581
165 HZ3 LYS 17 HZ3 LYS 17 33.483 19.334 22.759
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 25.542 2.306 35.650
2 H2 ALA 1 HT2 ALA 1 24.850 2.595 37.175
3 H3 ALA 1 HT3 ALA 1 25.835 1.233 36.936
4 HA ALA 1 HA ALA 1 26.536 3.898 37.600
5 HB1 ALA 1 HB1 ALA 1 28.710 2.759 38.248
6 HB2 ALA 1 HB2 ALA 1 28.114 1.254 37.450
7 HB3 ALA 1 HB3 ALA 1 27.268 1.899 38.906
8 H MET 2 HN MET 2 27.578 1.570 35.013
9 HA MET 2 HA MET 2 28.644 3.909 33.605
10 HB2 MET 2 HB2 MET 2 30.041 1.171 33.787
11 HB3 MET 2 HB1 MET 2 30.528 2.528 32.709
12 HG2 MET 2 HG2 MET 2 30.996 3.955 34.697
13 HG3 MET 2 HG1 MET 2 30.485 2.628 35.786
14 HE1 MET 2 HE1 MET 2 34.284 2.927 36.435
15 HE2 MET 2 HE2 MET 2 32.661 2.694 37.172
16 HE3 MET 2 HE3 MET 2 32.995 4.153 36.175
17 H ARG 3 HN ARG 3 28.987 3.445 31.328
18 HA ARG 3 HA ARG 3 27.931 1.385 29.939
19 HB2 ARG 3 HB2 ARG 3 25.647 1.831 30.773
20 HB3 ARG 3 HB1 ARG 3 25.972 3.609 30.690
21 HG2 ARG 3 HG2 ARG 3 25.963 3.623 28.302
22 HG3 ARG 3 HG1 ARG 3 25.968 1.829 28.203
23 HD2 ARG 3 HD2 ARG 3 23.677 2.697 27.710
24 HD3 ARG 3 HD1 ARG 3 23.650 1.811 29.299
25 HE ARG 3 HE ARG 3 24.220 4.622 29.734
26 HH11 ARG 3 HH11 ARG 3 21.656 2.335 28.803
27 HH12 ARG 3 HH12 ARG 3 20.358 3.291 29.433
28 HH21 ARG 3 HH21 ARG 3 22.455 5.927 30.593
29 HH22 ARG 3 HH22 ARG 3 20.820 5.370 30.467
30 H LEU 4 HN LEU 4 28.141 4.694 30.721
31 HA LEU 4 HA LEU 4 28.031 5.982 28.417
32 HB2 LEU 4 HB2 LEU 4 29.745 6.537 30.904
33 HB3 LEU 4 HB1 LEU 4 29.605 7.712 29.556
34 HG LEU 4 HG LEU 4 27.792 7.187 31.798
35 HD11 LEU 4 HD11 LEU 4 27.019 9.453 30.092
36 HD12 LEU 4 HD12 LEU 4 28.809 9.407 30.285
37 HD13 LEU 4 HD13 LEU 4 27.746 9.453 31.742
38 HD21 LEU 4 HD21 LEU 4 26.276 5.950 30.456
39 HD22 LEU 4 HD22 LEU 4 26.590 6.938 28.976
40 HD23 LEU 4 HD23 LEU 4 25.648 7.637 30.344
41 H SER 5 HN SER 5 28.947 5.003 26.693
42 HA SER 5 HA SER 5 31.890 4.773 26.677
43 HB2 SER 5 HB2 SER 5 30.750 2.552 26.253
44 HB3 SER 5 HB1 SER 5 29.841 3.311 24.887
45 HG SER 5 HG SER 5 31.533 3.163 23.702
46 H DPP 6 HN DPP 6 33.028 5.962 25.119
47 HA DPP 6 HA DPP 6 33.406 7.468 23.524
48 HB2 DPP 6 HB2 DPP 6 31.038 6.337 22.281
49 HB3 DPP 6 HB3 DPP 6 32.160 7.523 21.522
50 H PHE 7 HN PHE 7 31.908 7.604 26.336
51 HA PHE 7 HA PHE 7 30.317 9.772 26.044
52 HB2 PHE 7 HB2 PHE 7 30.932 8.385 28.398
53 HB3 PHE 7 HB1 PHE 7 31.085 10.194 28.640
54 HD1 PHE 7 HD1 PHE 7 28.865 7.526 27.617
55 HD2 PHE 7 HD2 PHE 7 29.373 11.659 28.107
56 HE1 PHE 7 HE1 PHE 7 26.490 7.874 27.369
57 HE2 PHE 7 HE2 PHE 7 27.036 12.002 27.815
58 HZ PHE 7 HZ PHE 7 25.667 10.099 27.518
59 H PHE 8 HN PHE 8 30.098 11.460 26.440
60 HA PHE 8 HA PHE 8 30.239 13.407 26.641
61 HB2 PHE 8 HB2 PHE 8 33.011 12.854 27.771
62 HB3 PHE 8 HB1 PHE 8 32.631 14.574 27.257
63 HD1 PHE 8 HD1 PHE 8 31.698 11.812 29.420
64 HD2 PHE 8 HD2 PHE 8 30.771 15.608 27.874
65 HE1 PHE 8 HE1 PHE 8 29.649 11.796 30.695
66 HE2 PHE 8 HE2 PHE 8 28.769 15.690 29.128
67 HZ PHE 8 HZ PHE 8 28.176 13.777 30.590
68 H ARG 9 HN ARG 9 30.236 14.915 25.774
69 HA ARG 9 HA ARG 9 29.943 16.096 24.211
70 HB2 ARG 9 HB2 ARG 9 32.698 15.584 23.051
71 HB3 ARG 9 HB1 ARG 9 31.710 17.071 22.846
72 HG2 ARG 9 HG2 ARG 9 32.626 17.991 24.706
73 HG3 ARG 9 HG1 ARG 9 32.044 16.608 25.709
74 HD2 ARG 9 HD2 ARG 9 34.721 16.767 24.154
75 HD3 ARG 9 HD1 ARG 9 34.477 16.708 25.963
76 HE ARG 9 HE ARG 9 33.115 14.460 24.757
77 HH11 ARG 9 HH11 ARG 9 36.392 15.788 25.371
78 HH12 ARG 9 HH12 ARG 9 37.172 14.246 25.465
79 HH21 ARG 9 HH21 ARG 9 34.197 12.366 24.888
80 HH22 ARG 9 HH22 ARG 9 35.902 12.264 25.185
81 H GLN 10 HN GLN 10 28.660 13.945 23.948
82 HA GLN 10 HA GLN 10 28.549 13.632 21.217
83 HB2 GLN 10 HB2 GLN 10 30.535 12.349 21.384
84 HB3 GLN 10 HB1 GLN 10 30.144 11.980 23.104
85 HG2 GLN 10 HG2 GLN 10 28.491 10.264 22.370
86 HG3 GLN 10 HG1 GLN 10 28.806 10.633 20.639
87 HE21 GLN 10 HE21 GLN 10 29.505 8.201 22.802
88 H PHE 11 HN PHE 11 27.242 13.676 24.208
89 HA PHE 11 HA PHE 11 24.998 12.014 23.396
90 HB2 PHE 11 HB2 PHE 11 26.328 12.315 26.055
91 HB3 PHE 11 HB1 PHE 11 24.912 11.218 25.714
92 HD1 PHE 11 HD1 PHE 11 28.313 12.158 24.852
93 HD2 PHE 11 HD2 PHE 11 25.365 9.103 25.088
94 HE1 PHE 11 HE1 PHE 11 29.961 10.490 24.400
95 HE2 PHE 11 HE2 PHE 11 27.049 7.404 24.676
96 HZ PHE 11 HZ PHE 11 29.370 8.093 24.318
97 H ILE 12 HN ILE 12 26.571 14.193 25.362
98 HA ILE 12 HA ILE 12 24.336 15.234 26.610
99 HB ILE 12 HB ILE 12 27.141 16.189 26.725
100 HG12 ILE 12 HG12 ILE 12 27.266 14.285 28.559
101 HG13 ILE 12 HG11 ILE 12 26.201 13.524 27.378
102 HG21 ILE 12 HG21 ILE 12 25.226 17.275 28.113
103 HG22 ILE 12 HG22 ILE 12 26.618 16.663 29.087
104 HG23 ILE 12 HG23 ILE 12 25.089 15.709 29.000
105 HD11 ILE 12 HD11 ILE 12 28.983 14.509 26.961
106 HD12 ILE 12 HD12 ILE 12 27.903 14.408 25.560
107 HD13 ILE 12 HD13 ILE 12 28.283 12.922 26.520
108 H LEU 13 HN LEU 13 26.660 15.491 24.416
109 HA LEU 13 HA LEU 13 26.414 18.304 24.044
110 HB2 LEU 13 HB2 LEU 13 28.165 15.975 24.413
111 HB3 LEU 13 HB1 LEU 13 28.764 17.187 23.136
112 HG LEU 13 HG LEU 13 29.470 18.667 24.751
113 HD11 LEU 13 HD11 LEU 13 27.279 19.643 25.141
114 HD12 LEU 13 HD12 LEU 13 27.989 19.310 26.767
115 HD13 LEU 13 HD13 LEU 13 26.733 18.208 26.083
116 HD21 LEU 13 HD21 LEU 13 28.961 17.273 27.228
117 HD22 LEU 13 HD22 LEU 13 30.471 17.272 26.235
118 HD23 LEU 13 HD23 LEU 13 29.204 16.030 25.948
119 H GLN 14 HN GLN 14 25.872 15.301 22.713
120 HA GLN 14 HA GLN 14 26.687 15.340 20.133
121 HB2 GLN 14 HB2 GLN 14 24.383 14.139 19.745
122 HB3 GLN 14 HB1 GLN 14 25.572 13.400 20.911
123 HG2 GLN 14 HG2 GLN 14 24.496 14.570 22.813
124 HG3 GLN 14 HG1 GLN 14 23.326 15.364 21.701
125 HE21 GLN 14 HE21 GLN 14 24.462 11.982 21.193
126 HE22 GLN 14 HE22 GLN 14 22.938 11.226 21.511
127 H ARG 15 HN ARG 15 24.042 17.135 21.556
128 HA ARG 15 HA ARG 15 22.808 17.661 19.088
129 HB2 ARG 15 HB2 ARG 15 21.271 19.039 20.403
130 HB3 ARG 15 HB1 ARG 15 21.604 17.488 21.261
131 HG2 ARG 15 HG2 ARG 15 23.553 18.809 22.444
132 HG3 ARG 15 HG1 ARG 15 22.694 20.281 21.872
133 HD2 ARG 15 HD2 ARG 15 21.906 19.807 24.156
134 HD3 ARG 15 HD1 ARG 15 20.553 19.357 23.025
135 HE ARG 15 HE ARG 15 22.326 17.089 23.534
136 HH11 ARG 15 HH11 ARG 15 19.708 19.097 24.877
137 HH12 ARG 15 HH12 ARG 15 19.051 17.842 25.874
138 HH21 ARG 15 HH21 ARG 15 21.434 15.383 24.884
139 HH22 ARG 15 HH22 ARG 15 20.049 15.694 25.878
140 H LYS 16 HN LYS 16 25.435 19.134 20.851
141 HA LYS 16 HA LYS 16 25.016 21.591 19.327
142 HB2 LYS 16 HB2 LYS 16 25.029 22.116 21.710
143 HB3 LYS 16 HB1 LYS 16 26.426 21.013 21.983
144 HG2 LYS 16 HG2 LYS 16 27.881 22.480 20.650
145 HG3 LYS 16 HG1 LYS 16 26.504 23.576 20.287
146 HD2 LYS 16 HD2 LYS 16 26.266 24.085 22.726
147 HD3 LYS 16 HD1 LYS 16 27.625 22.968 23.097
148 HE2 LYS 16 HE2 LYS 16 29.189 24.413 21.769
149 HE3 LYS 16 HE1 LYS 16 27.818 25.534 21.376
150 HZ1 LYS 16 HZ1 LYS 16 28.151 26.526 23.278
151 HZ2 LYS 16 HZ2 LYS 16 29.455 25.496 23.629
152 HZ3 LYS 16 HZ3 LYS 16 27.889 25.090 24.146
153 H LYS 17 HN LYS 17 27.212 19.182 20.574
154 HA LYS 17 HA LYS 17 29.231 20.026 18.620
155 HB2 LYS 17 HB2 LYS 17 29.233 18.319 21.144
156 HB3 LYS 17 HB1 LYS 17 30.579 18.169 19.949
157 HG2 LYS 17 HG2 LYS 17 31.039 20.627 20.169
158 HG3 LYS 17 HG1 LYS 17 29.706 20.766 21.365
159 HD2 LYS 17 HD2 LYS 17 30.884 19.321 22.951
160 HD3 LYS 17 HD1 LYS 17 32.137 18.914 21.730
161 HE2 LYS 17 HE2 LYS 17 33.014 20.598 23.342
162 HE3 LYS 17 HE1 LYS 17 32.860 21.348 21.698
163 HZ1 LYS 17 HZ1 LYS 17 31.839 22.309 24.011
164 HZ2 LYS 17 HZ2 LYS 17 30.483 21.575 23.297
165 HZ3 LYS 17 HZ3 LYS 17 31.359 22.753 22.444
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 27.882 0.166 34.865
2 H2 ALA 1 HT2 ALA 1 27.127 -0.620 36.167
3 H3 ALA 1 HT3 ALA 1 28.741 -0.110 36.304
4 HA ALA 1 HA ALA 1 26.315 1.325 36.715
5 HB1 ALA 1 HB1 ALA 1 28.089 1.089 38.460
6 HB2 ALA 1 HB2 ALA 1 27.881 2.829 38.028
7 HB3 ALA 1 HB3 ALA 1 29.275 1.894 37.364
8 H MET 2 HN MET 2 29.387 1.921 34.866
9 HA MET 2 HA MET 2 28.093 4.333 33.774
10 HB2 MET 2 HB2 MET 2 30.965 3.335 33.420
11 HB3 MET 2 HB1 MET 2 30.287 4.884 32.818
12 HG2 MET 2 HG2 MET 2 30.598 4.085 35.778
13 HG3 MET 2 HG1 MET 2 31.691 5.179 34.874
14 HE1 MET 2 HE1 MET 2 30.279 5.737 37.653
15 HE2 MET 2 HE2 MET 2 29.919 7.486 37.448
16 HE3 MET 2 HE3 MET 2 31.458 6.808 36.817
17 H ARG 3 HN ARG 3 26.839 3.814 32.200
18 HA ARG 3 HA ARG 3 27.505 1.775 30.393
19 HB2 ARG 3 HB2 ARG 3 25.134 2.445 30.748
20 HB3 ARG 3 HB1 ARG 3 25.591 4.148 30.359
21 HG2 ARG 3 HG2 ARG 3 26.057 3.609 28.056
22 HG3 ARG 3 HG1 ARG 3 25.878 1.840 28.357
23 HD2 ARG 3 HD2 ARG 3 23.443 2.103 28.786
24 HD3 ARG 3 HD1 ARG 3 23.590 3.914 28.657
25 HE ARG 3 HE ARG 3 24.650 2.844 26.248
26 HH11 ARG 3 HH11 ARG 3 21.594 2.868 28.076
27 HH12 ARG 3 HH12 ARG 3 20.577 2.757 26.678
28 HH21 ARG 3 HH21 ARG 3 23.268 2.693 24.346
29 HH22 ARG 3 HH22 ARG 3 21.546 2.654 24.522
30 H LEU 4 HN LEU 4 27.539 5.178 30.716
31 HA LEU 4 HA LEU 4 28.015 6.270 28.484
32 HB2 LEU 4 HB2 LEU 4 29.633 6.812 31.044
33 HB3 LEU 4 HB1 LEU 4 29.527 7.961 29.671
34 HG LEU 4 HG LEU 4 27.651 7.455 31.894
35 HD11 LEU 4 HD11 LEU 4 27.042 9.827 30.276
36 HD12 LEU 4 HD12 LEU 4 28.825 9.675 30.479
37 HD13 LEU 4 HD13 LEU 4 27.753 9.721 31.930
38 HD21 LEU 4 HD21 LEU 4 26.574 7.177 29.056
39 HD22 LEU 4 HD22 LEU 4 25.645 8.194 30.213
40 HD23 LEU 4 HD23 LEU 4 25.988 6.469 30.610
41 H SER 5 HN SER 5 29.009 5.320 26.839
42 HA SER 5 HA SER 5 31.644 4.151 27.203
43 HB2 SER 5 HB2 SER 5 31.331 3.539 24.670
44 HB3 SER 5 HB1 SER 5 30.262 2.713 25.871
45 HG SER 5 HG SER 5 28.772 3.464 24.640
46 H DPP 6 HN DPP 6 30.510 5.929 24.209
47 HA DPP 6 HA DPP 6 33.108 7.127 23.982
48 HB2 DPP 6 HB2 DPP 6 31.268 6.595 22.003
49 HB3 DPP 6 HB3 DPP 6 32.410 7.977 21.837
50 H PHE 7 HN PHE 7 31.746 7.703 26.556
51 HA PHE 7 HA PHE 7 30.252 9.927 26.177
52 HB2 PHE 7 HB2 PHE 7 30.875 8.622 28.583
53 HB3 PHE 7 HB1 PHE 7 31.043 10.437 28.737
54 HD1 PHE 7 HD1 PHE 7 28.820 7.755 27.730
55 HD2 PHE 7 HD2 PHE 7 29.338 11.878 28.241
56 HE1 PHE 7 HE1 PHE 7 26.447 8.114 27.442
57 HE2 PHE 7 HE2 PHE 7 27.008 12.232 27.918
58 HZ PHE 7 HZ PHE 7 25.632 10.341 27.589
59 H PHE 8 HN PHE 8 30.082 11.615 26.545
60 HA PHE 8 HA PHE 8 30.253 13.562 26.661
61 HB2 PHE 8 HB2 PHE 8 33.021 13.005 27.791
62 HB3 PHE 8 HB1 PHE 8 32.664 14.713 27.225
63 HD1 PHE 8 HD1 PHE 8 31.705 12.038 29.482
64 HD2 PHE 8 HD2 PHE 8 30.819 15.796 27.822
65 HE1 PHE 8 HE1 PHE 8 29.665 12.093 30.773
66 HE2 PHE 8 HE2 PHE 8 28.829 15.948 29.093
67 HZ PHE 8 HZ PHE 8 28.221 14.094 30.621
68 H ARG 9 HN ARG 9 30.272 15.056 25.771
69 HA ARG 9 HA ARG 9 29.973 16.208 24.187
70 HB2 ARG 9 HB2 ARG 9 32.711 15.644 23.013
71 HB3 ARG 9 HB1 ARG 9 31.735 17.136 22.786
72 HG2 ARG 9 HG2 ARG 9 32.689 18.083 24.612
73 HG3 ARG 9 HG1 ARG 9 32.084 16.739 25.653
74 HD2 ARG 9 HD2 ARG 9 34.759 16.818 24.090
75 HD3 ARG 9 HD1 ARG 9 34.515 16.788 25.900
76 HE ARG 9 HE ARG 9 33.112 14.548 24.729
77 HH11 ARG 9 HH11 ARG 9 36.415 15.826 25.316
78 HH12 ARG 9 HH12 ARG 9 37.168 14.271 25.425
79 HH21 ARG 9 HH21 ARG 9 34.159 12.436 24.880
80 HH22 ARG 9 HH22 ARG 9 35.864 12.309 25.172
81 H GLN 10 HN GLN 10 28.646 14.087 23.961
82 HA GLN 10 HA GLN 10 28.505 13.730 21.238
83 HB2 GLN 10 HB2 GLN 10 30.489 12.455 21.403
84 HB3 GLN 10 HB1 GLN 10 30.113 12.099 23.129
85 HG2 GLN 10 HG2 GLN 10 28.464 10.375 22.428
86 HG3 GLN 10 HG1 GLN 10 28.759 10.731 20.688
87 HE21 GLN 10 HE21 GLN 10 29.516 8.287 22.804
88 H PHE 11 HN PHE 11 27.241 13.805 24.253
89 HA PHE 11 HA PHE 11 24.973 12.156 23.476
90 HB2 PHE 11 HB2 PHE 11 26.344 12.460 26.115
91 HB3 PHE 11 HB1 PHE 11 24.909 11.377 25.803
92 HD1 PHE 11 HD1 PHE 11 28.312 12.260 24.902
93 HD2 PHE 11 HD2 PHE 11 25.314 9.261 25.169
94 HE1 PHE 11 HE1 PHE 11 29.935 10.548 24.447
95 HE2 PHE 11 HE2 PHE 11 26.954 7.520 24.755
96 HZ PHE 11 HZ PHE 11 29.298 8.139 24.370
97 H ILE 12 HN ILE 12 26.588 14.359 25.383
98 HA ILE 12 HA ILE 12 24.368 15.435 26.643
99 HB ILE 12 HB ILE 12 27.183 16.378 26.689
100 HG12 ILE 12 HG12 ILE 12 27.312 14.518 28.573
101 HG13 ILE 12 HG11 ILE 12 26.224 13.741 27.420
102 HG21 ILE 12 HG21 ILE 12 25.299 17.517 28.076
103 HG22 ILE 12 HG22 ILE 12 26.695 16.918 29.048
104 HG23 ILE 12 HG23 ILE 12 25.156 15.976 29.004
105 HD11 ILE 12 HD11 ILE 12 28.285 13.092 26.545
106 HD12 ILE 12 HD12 ILE 12 29.015 14.679 26.956
107 HD13 ILE 12 HD13 ILE 12 27.923 14.566 25.567
108 H LEU 13 HN LEU 13 26.671 15.614 24.429
109 HA LEU 13 HA LEU 13 26.438 18.404 23.918
110 HB2 LEU 13 HB2 LEU 13 28.174 16.074 24.378
111 HB3 LEU 13 HB1 LEU 13 28.769 17.229 23.048
112 HG LEU 13 HG LEU 13 29.492 18.777 24.594
113 HD11 LEU 13 HD11 LEU 13 26.762 18.385 25.960
114 HD12 LEU 13 HD12 LEU 13 27.312 19.778 24.959
115 HD13 LEU 13 HD13 LEU 13 28.026 19.505 26.595
116 HD21 LEU 13 HD21 LEU 13 29.008 17.505 27.139
117 HD22 LEU 13 HD22 LEU 13 30.506 17.449 26.131
118 HD23 LEU 13 HD23 LEU 13 29.235 16.197 25.922
119 H GLN 14 HN GLN 14 25.753 15.373 22.792
120 HA GLN 14 HA GLN 14 26.488 15.195 20.200
121 HB2 GLN 14 HB2 GLN 14 24.109 14.113 19.953
122 HB3 GLN 14 HB1 GLN 14 25.275 13.379 21.146
123 HG2 GLN 14 HG2 GLN 14 24.321 14.797 22.974
124 HG3 GLN 14 HG1 GLN 14 23.134 15.503 21.811
125 HE21 GLN 14 HE21 GLN 14 21.278 14.624 22.894
126 HE22 GLN 14 HE22 GLN 14 20.885 12.940 22.830
127 H ARG 15 HN ARG 15 24.045 17.270 21.588
128 HA ARG 15 HA ARG 15 22.725 17.718 19.155
129 HB2 ARG 15 HB2 ARG 15 21.419 19.369 20.420
130 HB3 ARG 15 HB1 ARG 15 21.626 17.857 21.379
131 HG2 ARG 15 HG2 ARG 15 23.527 18.867 22.623
132 HG3 ARG 15 HG1 ARG 15 23.378 20.375 21.664
133 HD2 ARG 15 HD2 ARG 15 21.107 19.249 23.449
134 HD3 ARG 15 HD1 ARG 15 22.285 20.538 23.964
135 HE ARG 15 HE ARG 15 21.165 21.374 21.478
136 HH11 ARG 15 HH11 ARG 15 20.150 20.617 24.807
137 HH12 ARG 15 HH12 ARG 15 18.823 21.729 24.821
138 HH21 ARG 15 HH21 ARG 15 19.361 22.888 21.495
139 HH22 ARG 15 HH22 ARG 15 18.366 23.042 22.904
140 H LYS 16 HN LYS 16 25.563 19.092 20.661
141 HA LYS 16 HA LYS 16 25.294 21.423 18.918
142 HB2 LYS 16 HB2 LYS 16 25.402 22.173 21.237
143 HB3 LYS 16 HB1 LYS 16 26.710 20.989 21.599
144 HG2 LYS 16 HG2 LYS 16 28.251 22.199 20.106
145 HG3 LYS 16 HG1 LYS 16 26.959 23.365 19.663
146 HD2 LYS 16 HD2 LYS 16 26.820 24.120 22.044
147 HD3 LYS 16 HD1 LYS 16 28.090 22.932 22.501
148 HE2 LYS 16 HE2 LYS 16 29.740 24.109 21.018
149 HE3 LYS 16 HE1 LYS 16 28.457 25.299 20.539
150 HZ1 LYS 16 HZ1 LYS 16 29.347 26.407 22.236
151 HZ2 LYS 16 HZ2 LYS 16 29.946 25.028 23.024
152 HZ3 LYS 16 HZ3 LYS 16 28.308 25.447 23.175
153 H LYS 17 HN LYS 17 27.331 18.994 20.378
154 HA LYS 17 HA LYS 17 29.328 19.445 18.268
155 HB2 LYS 17 HB2 LYS 17 29.361 18.177 21.036
156 HB3 LYS 17 HB1 LYS 17 30.646 17.759 19.838
157 HG2 LYS 17 HG2 LYS 17 31.226 20.194 19.628
158 HG3 LYS 17 HG1 LYS 17 29.955 20.596 20.834
159 HD2 LYS 17 HD2 LYS 17 31.138 19.371 22.591
160 HD3 LYS 17 HD1 LYS 17 32.316 18.707 21.409
161 HE2 LYS 17 HE2 LYS 17 33.341 20.582 22.684
162 HE3 LYS 17 HE1 LYS 17 33.139 21.066 20.949
163 HZ1 LYS 17 HZ1 LYS 17 31.745 22.651 21.519
164 HZ2 LYS 17 HZ2 LYS 17 32.269 22.430 23.120
165 HZ3 LYS 17 HZ3 LYS 17 30.853 21.667 22.577
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 29.086 2.227 37.087
2 H2 ALA 1 HT2 ALA 1 29.211 0.536 36.995
3 H3 ALA 1 HT3 ALA 1 28.247 1.252 38.196
4 HA ALA 1 HA ALA 1 27.400 0.331 35.808
5 HB1 ALA 1 HB1 ALA 1 26.020 0.714 37.887
6 HB2 ALA 1 HB2 ALA 1 25.222 1.417 36.429
7 HB3 ALA 1 HB3 ALA 1 26.100 2.490 37.583
8 H MET 2 HN MET 2 29.488 1.958 34.868
9 HA MET 2 HA MET 2 28.146 4.327 33.772
10 HB2 MET 2 HB2 MET 2 31.017 3.315 33.442
11 HB3 MET 2 HB1 MET 2 30.349 4.819 32.726
12 HG2 MET 2 HG2 MET 2 30.627 4.227 35.737
13 HG3 MET 2 HG1 MET 2 31.730 5.252 34.771
14 HE1 MET 2 HE1 MET 2 27.677 5.121 36.007
15 HE2 MET 2 HE2 MET 2 28.260 6.319 37.212
16 HE3 MET 2 HE3 MET 2 29.150 4.777 36.979
17 H ARG 3 HN ARG 3 26.849 3.809 32.228
18 HA ARG 3 HA ARG 3 27.479 1.817 30.364
19 HB2 ARG 3 HB2 ARG 3 25.118 2.503 30.771
20 HB3 ARG 3 HB1 ARG 3 25.587 4.207 30.398
21 HG2 ARG 3 HG2 ARG 3 25.994 3.707 28.083
22 HG3 ARG 3 HG1 ARG 3 25.841 1.933 28.356
23 HD2 ARG 3 HD2 ARG 3 23.758 2.813 27.290
24 HD3 ARG 3 HD1 ARG 3 23.384 2.292 28.992
25 HE ARG 3 HE ARG 3 24.146 5.095 28.940
26 HH11 ARG 3 HH11 ARG 3 21.555 2.808 28.079
27 HH12 ARG 3 HH12 ARG 3 20.270 3.952 28.269
28 HH21 ARG 3 HH21 ARG 3 22.397 6.654 29.199
29 HH22 ARG 3 HH22 ARG 3 20.757 6.176 28.916
30 H LEU 4 HN LEU 4 27.557 5.213 30.748
31 HA LEU 4 HA LEU 4 28.010 6.319 28.504
32 HB2 LEU 4 HB2 LEU 4 29.634 6.854 31.063
33 HB3 LEU 4 HB1 LEU 4 29.523 8.007 29.694
34 HG LEU 4 HG LEU 4 27.658 7.495 31.923
35 HD11 LEU 4 HD11 LEU 4 27.033 9.866 30.309
36 HD12 LEU 4 HD12 LEU 4 28.818 9.718 30.501
37 HD13 LEU 4 HD13 LEU 4 27.755 9.760 31.958
38 HD21 LEU 4 HD21 LEU 4 25.638 8.227 30.258
39 HD22 LEU 4 HD22 LEU 4 25.994 6.502 30.642
40 HD23 LEU 4 HD23 LEU 4 26.567 7.219 29.088
41 H SER 5 HN SER 5 29.006 5.358 26.861
42 HA SER 5 HA SER 5 31.658 4.217 27.240
43 HB2 SER 5 HB2 SER 5 29.922 2.902 25.943
44 HB3 SER 5 HB1 SER 5 29.915 4.214 24.703
45 HG SER 5 HG SER 5 32.014 2.469 25.461
46 H DPP 6 HN DPP 6 30.470 5.973 24.234
47 HA DPP 6 HA DPP 6 33.062 7.170 23.974
48 HB2 DPP 6 HB2 DPP 6 31.195 6.634 22.018
49 HB3 DPP 6 HB3 DPP 6 32.341 8.010 21.835
50 H PHE 7 HN PHE 7 31.725 7.747 26.562
51 HA PHE 7 HA PHE 7 30.229 9.972 26.194
52 HB2 PHE 7 HB2 PHE 7 30.865 8.667 28.596
53 HB3 PHE 7 HB1 PHE 7 31.038 10.481 28.748
54 HD1 PHE 7 HD1 PHE 7 28.806 7.802 27.753
55 HD2 PHE 7 HD2 PHE 7 29.330 11.923 28.266
56 HE1 PHE 7 HE1 PHE 7 26.432 8.163 27.479
57 HE2 PHE 7 HE2 PHE 7 26.998 12.281 27.958
58 HZ PHE 7 HZ PHE 7 25.619 10.391 27.635
59 H PHE 8 HN PHE 8 30.065 11.659 26.568
60 HA PHE 8 HA PHE 8 30.238 13.606 26.683
61 HB2 PHE 8 HB2 PHE 8 33.013 13.045 27.796
62 HB3 PHE 8 HB1 PHE 8 32.655 14.753 27.232
63 HD1 PHE 8 HD1 PHE 8 31.703 12.079 29.491
64 HD2 PHE 8 HD2 PHE 8 30.816 15.842 27.841
65 HE1 PHE 8 HE1 PHE 8 29.673 12.138 30.795
66 HE2 PHE 8 HE2 PHE 8 28.835 15.997 29.125
67 HZ PHE 8 HZ PHE 8 28.233 14.141 30.653
68 H ARG 9 HN ARG 9 30.256 15.102 25.796
69 HA ARG 9 HA ARG 9 29.948 16.257 24.215
70 HB2 ARG 9 HB2 ARG 9 32.681 15.694 23.026
71 HB3 ARG 9 HB1 ARG 9 31.705 17.187 22.805
72 HG2 ARG 9 HG2 ARG 9 32.669 18.131 24.627
73 HG3 ARG 9 HG1 ARG 9 32.061 16.790 25.670
74 HD2 ARG 9 HD2 ARG 9 34.735 16.860 24.104
75 HD3 ARG 9 HD1 ARG 9 34.493 16.828 25.913
76 HE ARG 9 HE ARG 9 33.082 14.594 24.742
77 HH11 ARG 9 HH11 ARG 9 36.390 15.862 25.317
78 HH12 ARG 9 HH12 ARG 9 37.140 14.305 25.419
79 HH21 ARG 9 HH21 ARG 9 34.124 12.480 24.885
80 HH22 ARG 9 HH22 ARG 9 35.829 12.347 25.169
81 H GLN 10 HN GLN 10 28.619 14.137 23.996
82 HA GLN 10 HA GLN 10 28.459 13.779 21.273
83 HB2 GLN 10 HB2 GLN 10 30.441 12.500 21.430
84 HB3 GLN 10 HB1 GLN 10 30.069 12.142 23.157
85 HG2 GLN 10 HG2 GLN 10 28.413 10.425 22.459
86 HG3 GLN 10 HG1 GLN 10 28.701 10.786 20.719
87 HE21 GLN 10 HE21 GLN 10 29.460 8.335 22.827
88 H PHE 11 HN PHE 11 27.211 13.856 24.298
89 HA PHE 11 HA PHE 11 24.933 12.217 23.530
90 HB2 PHE 11 HB2 PHE 11 26.319 12.507 26.162
91 HB3 PHE 11 HB1 PHE 11 24.879 11.431 25.854
92 HD1 PHE 11 HD1 PHE 11 28.280 12.304 24.941
93 HD2 PHE 11 HD2 PHE 11 25.271 9.316 25.210
94 HE1 PHE 11 HE1 PHE 11 29.894 10.588 24.473
95 HE2 PHE 11 HE2 PHE 11 26.903 7.571 24.784
96 HZ PHE 11 HZ PHE 11 29.247 8.181 24.391
97 H ILE 12 HN ILE 12 26.567 14.408 25.434
98 HA ILE 12 HA ILE 12 24.358 15.493 26.704
99 HB ILE 12 HB ILE 12 27.175 16.430 26.729
100 HG12 ILE 12 HG12 ILE 12 27.315 14.571 28.614
101 HG13 ILE 12 HG11 ILE 12 26.216 13.795 27.471
102 HG21 ILE 12 HG21 ILE 12 26.706 16.976 29.089
103 HG22 ILE 12 HG22 ILE 12 25.166 16.035 29.060
104 HG23 ILE 12 HG23 ILE 12 25.302 17.574 28.127
105 HD11 ILE 12 HD11 ILE 12 28.270 13.141 26.582
106 HD12 ILE 12 HD12 ILE 12 29.007 14.729 26.983
107 HD13 ILE 12 HD13 ILE 12 27.903 14.615 25.603
108 H LEU 13 HN LEU 13 26.641 15.652 24.472
109 HA LEU 13 HA LEU 13 26.408 18.434 23.926
110 HB2 LEU 13 HB2 LEU 13 28.147 16.113 24.410
111 HB3 LEU 13 HB1 LEU 13 28.735 17.254 23.067
112 HG LEU 13 HG LEU 13 29.466 18.815 24.592
113 HD11 LEU 13 HD11 LEU 13 27.285 19.821 24.948
114 HD12 LEU 13 HD12 LEU 13 28.008 19.576 26.584
115 HD13 LEU 13 HD13 LEU 13 26.741 18.445 25.974
116 HD21 LEU 13 HD21 LEU 13 29.216 16.253 25.951
117 HD22 LEU 13 HD22 LEU 13 28.984 17.574 27.154
118 HD23 LEU 13 HD23 LEU 13 30.484 17.512 26.148
119 H GLN 14 HN GLN 14 25.690 15.397 22.859
120 HA GLN 14 HA GLN 14 26.412 15.129 20.280
121 HB2 GLN 14 HB2 GLN 14 23.991 14.132 20.056
122 HB3 GLN 14 HB1 GLN 14 25.133 13.384 21.263
123 HG2 GLN 14 HG2 GLN 14 24.237 14.881 23.061
124 HG3 GLN 14 HG1 GLN 14 23.071 15.598 21.882
125 HE21 GLN 14 HE21 GLN 14 21.189 14.811 22.988
126 HE22 GLN 14 HE22 GLN 14 20.740 13.140 22.971
127 H ARG 15 HN ARG 15 24.019 17.317 21.589
128 HA ARG 15 HA ARG 15 22.738 17.746 19.136
129 HB2 ARG 15 HB2 ARG 15 21.498 19.494 20.339
130 HB3 ARG 15 HB1 ARG 15 21.636 18.007 21.348
131 HG2 ARG 15 HG2 ARG 15 23.565 18.971 22.576
132 HG3 ARG 15 HG1 ARG 15 23.499 20.450 21.563
133 HD2 ARG 15 HD2 ARG 15 21.160 19.500 23.362
134 HD3 ARG 15 HD1 ARG 15 22.393 20.749 23.843
135 HE ARG 15 HE ARG 15 21.341 21.547 21.317
136 HH11 ARG 15 HH11 ARG 15 20.254 20.959 24.658
137 HH12 ARG 15 HH12 ARG 15 18.983 22.134 24.615
138 HH21 ARG 15 HH21 ARG 15 19.613 23.147 21.258
139 HH22 ARG 15 HH22 ARG 15 18.612 23.400 22.649
140 H LYS 16 HN LYS 16 25.609 19.055 20.630
141 HA LYS 16 HA LYS 16 25.469 21.339 18.814
142 HB2 LYS 16 HB2 LYS 16 25.620 22.135 21.117
143 HB3 LYS 16 HB1 LYS 16 26.874 20.900 21.501
144 HG2 LYS 16 HG2 LYS 16 28.475 21.998 20.016
145 HG3 LYS 16 HG1 LYS 16 27.237 23.184 19.477
146 HD2 LYS 16 HD2 LYS 16 27.065 24.059 21.824
147 HD3 LYS 16 HD1 LYS 16 28.304 22.872 22.356
148 HE2 LYS 16 HE2 LYS 16 28.790 25.060 20.221
149 HE3 LYS 16 HE1 LYS 16 29.253 25.192 21.969
150 HZ1 LYS 16 HZ1 LYS 16 30.334 22.859 21.342
151 HZ2 LYS 16 HZ2 LYS 16 31.136 24.346 21.177
152 HZ3 LYS 16 HZ3 LYS 16 30.418 23.613 19.823
153 H LYS 17 HN LYS 17 27.390 18.852 20.344
154 HA LYS 17 HA LYS 17 29.486 19.203 18.340
155 HB2 LYS 17 HB2 LYS 17 29.178 17.647 20.940
156 HB3 LYS 17 HB1 LYS 17 30.470 17.182 19.771
157 HG2 LYS 17 HG2 LYS 17 30.123 20.021 20.917
158 HG3 LYS 17 HG1 LYS 17 31.200 18.776 21.635
159 HD2 LYS 17 HD2 LYS 17 32.447 18.634 19.443
160 HD3 LYS 17 HD1 LYS 17 31.400 19.938 18.785
161 HE2 LYS 17 HE2 LYS 17 32.234 21.513 20.558
162 HE3 LYS 17 HE1 LYS 17 33.290 20.196 21.222
163 HZ1 LYS 17 HZ1 LYS 17 34.668 20.317 19.464
164 HZ2 LYS 17 HZ2 LYS 17 34.139 21.930 19.481
165 HZ3 LYS 17 HZ3 LYS 17 33.478 20.833 18.367
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 28.421 1.523 37.128
2 H2 ALA 1 HT2 ALA 1 26.848 0.894 37.255
3 H3 ALA 1 HT3 ALA 1 27.535 1.730 38.563
4 HA ALA 1 HA ALA 1 25.892 2.783 36.728
5 HB1 ALA 1 HB1 ALA 1 26.457 3.726 38.999
6 HB2 ALA 1 HB2 ALA 1 26.557 4.995 37.721
7 HB3 ALA 1 HB3 ALA 1 28.066 4.238 38.361
8 H MET 2 HN MET 2 27.677 1.532 34.950
9 HA MET 2 HA MET 2 28.676 3.910 33.554
10 HB2 MET 2 HB2 MET 2 30.143 1.215 33.804
11 HB3 MET 2 HB1 MET 2 30.567 2.507 32.624
12 HG2 MET 2 HG2 MET 2 31.097 4.071 34.459
13 HG3 MET 2 HG1 MET 2 30.562 2.874 35.680
14 HE1 MET 2 HE1 MET 2 32.942 2.311 32.305
15 HE2 MET 2 HE2 MET 2 34.344 3.100 33.106
16 HE3 MET 2 HE3 MET 2 32.778 3.972 32.973
17 H ARG 3 HN ARG 3 29.034 3.467 31.274
18 HA ARG 3 HA ARG 3 28.023 1.392 29.873
19 HB2 ARG 3 HB2 ARG 3 25.731 1.801 30.713
20 HB3 ARG 3 HB1 ARG 3 26.024 3.584 30.619
21 HG2 ARG 3 HG2 ARG 3 26.073 3.544 28.207
22 HG3 ARG 3 HG1 ARG 3 25.991 1.749 28.164
23 HD2 ARG 3 HD2 ARG 3 23.759 3.505 29.401
24 HD3 ARG 3 HD1 ARG 3 23.750 2.944 27.673
25 HE ARG 3 HE ARG 3 23.284 1.278 30.080
26 HH11 ARG 3 HH11 ARG 3 24.189 1.416 26.632
27 HH12 ARG 3 HH12 ARG 3 23.726 -0.217 26.289
28 HH21 ARG 3 HH21 ARG 3 22.659 -0.939 29.610
29 HH22 ARG 3 HH22 ARG 3 22.842 -1.577 28.011
30 H LEU 4 HN LEU 4 28.164 4.698 30.670
31 HA LEU 4 HA LEU 4 28.044 6.001 28.378
32 HB2 LEU 4 HB2 LEU 4 29.750 6.560 30.871
33 HB3 LEU 4 HB1 LEU 4 29.595 7.743 29.531
34 HG LEU 4 HG LEU 4 27.785 7.171 31.767
35 HD11 LEU 4 HD11 LEU 4 28.780 9.420 30.280
36 HD12 LEU 4 HD12 LEU 4 27.716 9.438 31.737
37 HD13 LEU 4 HD13 LEU 4 26.989 9.448 30.088
38 HD21 LEU 4 HD21 LEU 4 26.283 5.934 30.411
39 HD22 LEU 4 HD22 LEU 4 26.594 6.937 28.940
40 HD23 LEU 4 HD23 LEU 4 25.641 7.615 30.310
41 H SER 5 HN SER 5 28.978 5.051 26.646
42 HA SER 5 HA SER 5 31.924 4.871 26.629
43 HB2 SER 5 HB2 SER 5 30.823 2.630 26.194
44 HB3 SER 5 HB1 SER 5 29.902 3.380 24.832
45 HG SER 5 HG SER 5 31.598 3.274 23.647
46 H DPP 6 HN DPP 6 33.037 6.080 25.064
47 HA DPP 6 HA DPP 6 33.380 7.604 23.478
48 HB2 DPP 6 HB2 DPP 6 31.010 6.453 22.252
49 HB3 DPP 6 HB3 DPP 6 32.116 7.651 21.488
50 H PHE 7 HN PHE 7 31.893 7.686 26.303
51 HA PHE 7 HA PHE 7 30.278 9.840 26.042
52 HB2 PHE 7 HB2 PHE 7 30.911 8.431 28.377
53 HB3 PHE 7 HB1 PHE 7 31.048 10.238 28.641
54 HD1 PHE 7 HD1 PHE 7 28.851 7.561 27.584
55 HD2 PHE 7 HD2 PHE 7 29.321 11.692 28.135
56 HE1 PHE 7 HE1 PHE 7 26.471 7.892 27.343
57 HE2 PHE 7 HE2 PHE 7 26.979 12.019 27.851
58 HZ PHE 7 HZ PHE 7 25.629 10.107 27.527
59 H PHE 8 HN PHE 8 30.044 11.519 26.462
60 HA PHE 8 HA PHE 8 30.168 13.464 26.687
61 HB2 PHE 8 HB2 PHE 8 32.946 12.921 27.805
62 HB3 PHE 8 HB1 PHE 8 32.553 14.644 27.310
63 HD1 PHE 8 HD1 PHE 8 31.643 11.852 29.441
64 HD2 PHE 8 HD2 PHE 8 30.689 15.660 27.942
65 HE1 PHE 8 HE1 PHE 8 29.598 11.809 30.720
66 HE2 PHE 8 HE2 PHE 8 28.690 15.715 29.201
67 HZ PHE 8 HZ PHE 8 28.111 13.781 30.641
68 H ARG 9 HN ARG 9 30.153 14.983 25.838
69 HA ARG 9 HA ARG 9 29.850 16.178 24.291
70 HB2 ARG 9 HB2 ARG 9 32.610 15.695 23.130
71 HB3 ARG 9 HB1 ARG 9 31.607 17.172 22.920
72 HG2 ARG 9 HG2 ARG 9 32.504 18.101 24.782
73 HG3 ARG 9 HG1 ARG 9 31.927 16.715 25.783
74 HD2 ARG 9 HD2 ARG 9 34.611 16.893 24.243
75 HD3 ARG 9 HD1 ARG 9 34.358 16.843 26.051
76 HE ARG 9 HE ARG 9 33.026 14.574 24.837
77 HH11 ARG 9 HH11 ARG 9 36.277 15.939 25.513
78 HH12 ARG 9 HH12 ARG 9 37.069 14.405 25.638
79 HH21 ARG 9 HH21 ARG 9 34.126 12.491 25.014
80 HH22 ARG 9 HH22 ARG 9 35.824 12.409 25.350
81 H GLN 10 HN GLN 10 28.578 14.026 24.006
82 HA GLN 10 HA GLN 10 28.464 13.739 21.271
83 HB2 GLN 10 HB2 GLN 10 30.458 12.468 21.426
84 HB3 GLN 10 HB1 GLN 10 30.068 12.075 23.141
85 HG2 GLN 10 HG2 GLN 10 28.429 10.356 22.386
86 HG3 GLN 10 HG1 GLN 10 28.736 10.752 20.659
87 HE21 GLN 10 HE21 GLN 10 29.465 8.298 22.792
88 H PHE 11 HN PHE 11 27.162 13.733 24.272
89 HA PHE 11 HA PHE 11 24.923 12.075 23.438
90 HB2 PHE 11 HB2 PHE 11 26.256 12.334 26.100
91 HB3 PHE 11 HB1 PHE 11 24.846 11.234 25.739
92 HD1 PHE 11 HD1 PHE 11 28.238 12.211 24.896
93 HD2 PHE 11 HD2 PHE 11 25.308 9.137 25.073
94 HE1 PHE 11 HE1 PHE 11 29.898 10.558 24.417
95 HE2 PHE 11 HE2 PHE 11 27.003 7.453 24.637
96 HZ PHE 11 HZ PHE 11 29.322 8.160 24.296
97 H ILE 12 HN ILE 12 26.491 14.235 25.426
98 HA ILE 12 HA ILE 12 24.250 15.243 26.699
99 HB ILE 12 HB ILE 12 27.049 16.224 26.799
100 HG12 ILE 12 HG12 ILE 12 27.201 14.308 28.621
101 HG13 ILE 12 HG11 ILE 12 26.136 13.546 27.439
102 HG21 ILE 12 HG21 ILE 12 26.532 16.638 29.191
103 HG22 ILE 12 HG22 ILE 12 24.980 15.727 29.060
104 HG23 ILE 12 HG23 ILE 12 25.173 17.308 28.210
105 HD11 ILE 12 HD11 ILE 12 28.908 14.558 27.015
106 HD12 ILE 12 HD12 ILE 12 27.821 14.461 25.620
107 HD13 ILE 12 HD13 ILE 12 28.219 12.969 26.564
108 H LEU 13 HN LEU 13 26.566 15.525 24.504
109 HA LEU 13 HA LEU 13 26.293 18.328 24.084
110 HB2 LEU 13 HB2 LEU 13 28.064 16.022 24.495
111 HB3 LEU 13 HB1 LEU 13 28.655 17.229 23.213
112 HG LEU 13 HG LEU 13 29.327 18.739 24.815
113 HD11 LEU 13 HD11 LEU 13 27.120 19.676 25.196
114 HD12 LEU 13 HD12 LEU 13 27.831 19.366 26.826
115 HD13 LEU 13 HD13 LEU 13 26.598 18.238 26.146
116 HD21 LEU 13 HD21 LEU 13 29.139 16.107 26.028
117 HD22 LEU 13 HD22 LEU 13 28.836 17.344 27.303
118 HD23 LEU 13 HD23 LEU 13 30.355 17.396 26.328
119 H GLN 14 HN GLN 14 25.647 15.342 22.851
120 HA GLN 14 HA GLN 14 26.461 15.215 20.283
121 HB2 GLN 14 HB2 GLN 14 24.059 14.186 19.944
122 HB3 GLN 14 HB1 GLN 14 25.201 13.397 21.129
123 HG2 GLN 14 HG2 GLN 14 24.239 14.709 22.999
124 HG3 GLN 14 HG1 GLN 14 23.136 15.570 21.868
125 HE21 GLN 14 HE21 GLN 14 23.997 12.067 21.590
126 HE22 GLN 14 HE22 GLN 14 22.402 11.467 21.892
127 H ARG 15 HN ARG 15 23.994 17.292 21.630
128 HA ARG 15 HA ARG 15 22.765 17.818 19.172
129 HB2 ARG 15 HB2 ARG 15 21.466 19.483 20.422
130 HB3 ARG 15 HB1 ARG 15 21.614 17.959 21.373
131 HG2 ARG 15 HG2 ARG 15 23.515 18.919 22.664
132 HG3 ARG 15 HG1 ARG 15 23.405 20.441 21.723
133 HD2 ARG 15 HD2 ARG 15 21.087 19.324 23.453
134 HD3 ARG 15 HD1 ARG 15 22.270 20.594 24.001
135 HE ARG 15 HE ARG 15 21.206 21.469 21.506
136 HH11 ARG 15 HH11 ARG 15 20.119 20.688 24.807
137 HH12 ARG 15 HH12 ARG 15 18.803 21.812 24.808
138 HH21 ARG 15 HH21 ARG 15 19.416 23.001 21.505
139 HH22 ARG 15 HH22 ARG 15 18.396 23.150 22.896
140 H LYS 16 HN LYS 16 25.574 19.098 20.803
141 HA LYS 16 HA LYS 16 25.458 21.456 19.084
142 HB2 LYS 16 HB2 LYS 16 25.537 22.153 21.421
143 HB3 LYS 16 HB1 LYS 16 26.789 20.911 21.789
144 HG2 LYS 16 HG2 LYS 16 28.411 22.089 20.355
145 HG3 LYS 16 HG1 LYS 16 27.175 23.316 19.911
146 HD2 LYS 16 HD2 LYS 16 27.017 24.022 22.308
147 HD3 LYS 16 HD1 LYS 16 28.233 22.776 22.758
148 HE2 LYS 16 HE2 LYS 16 29.952 23.922 21.330
149 HE3 LYS 16 HE1 LYS 16 28.724 25.172 20.861
150 HZ1 LYS 16 HZ1 LYS 16 28.732 24.951 23.642
151 HZ2 LYS 16 HZ2 LYS 16 29.239 26.248 22.673
152 HZ3 LYS 16 HZ3 LYS 16 30.350 25.051 23.139
153 H LYS 17 HN LYS 17 27.380 18.931 20.560
154 HA LYS 17 HA LYS 17 29.521 19.409 18.632
155 HB2 LYS 17 HB2 LYS 17 29.182 17.895 21.223
156 HB3 LYS 17 HB1 LYS 17 30.382 17.240 20.051
157 HG2 LYS 17 HG2 LYS 17 30.367 20.159 21.037
158 HG3 LYS 17 HG1 LYS 17 31.318 18.850 21.815
159 HD2 LYS 17 HD2 LYS 17 31.579 19.626 18.844
160 HD3 LYS 17 HD1 LYS 17 32.600 20.313 20.153
161 HE2 LYS 17 HE2 LYS 17 33.379 17.963 20.732
162 HE3 LYS 17 HE1 LYS 17 32.422 17.336 19.325
163 HZ1 LYS 17 HZ1 LYS 17 33.816 19.305 18.196
164 HZ2 LYS 17 HZ2 LYS 17 34.323 17.687 18.272
165 HZ3 LYS 17 HZ3 LYS 17 34.912 18.816 19.396
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 25.039 1.667 36.792
2 H2 ALA 1 HT2 ALA 1 24.832 2.629 35.406
3 H3 ALA 1 HT3 ALA 1 23.976 2.991 36.827
4 HA ALA 1 HA ALA 1 25.551 4.426 37.272
5 HB1 ALA 1 HB1 ALA 1 27.642 3.465 38.327
6 HB2 ALA 1 HB2 ALA 1 27.221 1.858 37.617
7 HB3 ALA 1 HB3 ALA 1 26.157 2.597 38.871
8 H MET 2 HN MET 2 26.887 1.897 35.050
9 HA MET 2 HA MET 2 28.218 4.107 33.641
10 HB2 MET 2 HB2 MET 2 29.362 1.273 34.004
11 HB3 MET 2 HB1 MET 2 30.077 2.589 33.007
12 HG2 MET 2 HG2 MET 2 29.694 2.669 36.063
13 HG3 MET 2 HG1 MET 2 31.225 2.274 35.220
14 HE1 MET 2 HE1 MET 2 30.765 4.467 37.491
15 HE2 MET 2 HE2 MET 2 31.915 5.709 36.883
16 HE3 MET 2 HE3 MET 2 32.325 3.963 36.750
17 H ARG 3 HN ARG 3 28.726 3.546 31.431
18 HA ARG 3 HA ARG 3 27.657 1.498 30.021
19 HB2 ARG 3 HB2 ARG 3 25.350 2.189 30.589
20 HB3 ARG 3 HB1 ARG 3 25.843 3.924 30.440
21 HG2 ARG 3 HG2 ARG 3 26.094 3.774 28.067
22 HG3 ARG 3 HG1 ARG 3 25.938 1.984 28.076
23 HD2 ARG 3 HD2 ARG 3 23.807 3.066 27.276
24 HD3 ARG 3 HD1 ARG 3 23.528 2.213 28.856
25 HE ARG 3 HE ARG 3 23.229 4.321 29.906
26 HH11 ARG 3 HH11 ARG 3 24.497 4.685 26.593
27 HH12 ARG 3 HH12 ARG 3 24.250 6.397 26.524
28 HH21 ARG 3 HH21 ARG 3 22.894 6.645 29.808
29 HH22 ARG 3 HH22 ARG 3 23.325 7.530 28.383
30 H LEU 4 HN LEU 4 28.053 4.821 30.672
31 HA LEU 4 HA LEU 4 28.325 5.987 28.334
32 HB2 LEU 4 HB2 LEU 4 29.908 6.513 30.921
33 HB3 LEU 4 HB1 LEU 4 29.856 7.663 29.545
34 HG LEU 4 HG LEU 4 27.920 7.195 31.720
35 HD11 LEU 4 HD11 LEU 4 28.024 9.461 31.734
36 HD12 LEU 4 HD12 LEU 4 27.382 9.557 30.052
37 HD13 LEU 4 HD13 LEU 4 29.154 9.388 30.329
38 HD21 LEU 4 HD21 LEU 4 26.898 6.944 28.850
39 HD22 LEU 4 HD22 LEU 4 25.945 7.918 30.025
40 HD23 LEU 4 HD23 LEU 4 26.302 6.187 30.377
41 H SER 5 HN SER 5 29.329 5.005 26.706
42 HA SER 5 HA SER 5 31.938 3.803 27.081
43 HB2 SER 5 HB2 SER 5 31.659 3.253 24.529
44 HB3 SER 5 HB1 SER 5 30.548 2.429 25.692
45 HG SER 5 HG SER 5 29.058 3.270 24.543
46 H DPP 6 HN DPP 6 30.944 5.636 24.077
47 HA DPP 6 HA DPP 6 33.574 6.777 23.947
48 HB2 DPP 6 HB2 DPP 6 31.790 6.305 21.904
49 HB3 DPP 6 HB3 DPP 6 32.964 7.664 21.790
50 H PHE 7 HN PHE 7 32.126 7.365 26.477
51 HA PHE 7 HA PHE 7 30.703 9.628 26.071
52 HB2 PHE 7 HB2 PHE 7 31.225 8.290 28.484
53 HB3 PHE 7 HB1 PHE 7 31.423 10.100 28.658
54 HD1 PHE 7 HD1 PHE 7 29.174 7.465 27.588
55 HD2 PHE 7 HD2 PHE 7 29.768 11.579 28.096
56 HE1 PHE 7 HE1 PHE 7 26.820 7.874 27.233
57 HE2 PHE 7 HE2 PHE 7 27.456 11.983 27.709
58 HZ PHE 7 HZ PHE 7 26.051 10.120 27.347
59 H PHE 8 HN PHE 8 30.561 11.309 26.446
60 HA PHE 8 HA PHE 8 30.762 13.247 26.575
61 HB2 PHE 8 HB2 PHE 8 33.470 12.638 27.812
62 HB3 PHE 8 HB1 PHE 8 33.170 14.353 27.234
63 HD1 PHE 8 HD1 PHE 8 32.070 11.697 29.445
64 HD2 PHE 8 HD2 PHE 8 31.316 15.472 27.751
65 HE1 PHE 8 HE1 PHE 8 29.981 11.789 30.653
66 HE2 PHE 8 HE2 PHE 8 29.278 15.657 28.944
67 HZ PHE 8 HZ PHE 8 28.578 13.814 30.438
68 H ARG 9 HN ARG 9 30.850 14.745 25.694
69 HA ARG 9 HA ARG 9 30.628 15.901 24.117
70 HB2 ARG 9 HB2 ARG 9 33.411 15.324 23.067
71 HB3 ARG 9 HB1 ARG 9 32.445 16.810 22.761
72 HG2 ARG 9 HG2 ARG 9 33.316 17.787 24.609
73 HG3 ARG 9 HG1 ARG 9 32.606 16.487 25.642
74 HD2 ARG 9 HD2 ARG 9 35.399 16.498 24.299
75 HD3 ARG 9 HD1 ARG 9 35.000 16.464 26.080
76 HE ARG 9 HE ARG 9 33.666 14.248 24.806
77 HH11 ARG 9 HH11 ARG 9 36.946 15.481 25.587
78 HH12 ARG 9 HH12 ARG 9 37.674 13.917 25.725
79 HH21 ARG 9 HH21 ARG 9 34.680 12.121 24.997
80 HH22 ARG 9 HH22 ARG 9 36.364 11.972 25.383
81 H GLN 10 HN GLN 10 29.236 13.853 23.789
82 HA GLN 10 HA GLN 10 29.216 13.497 21.064
83 HB2 GLN 10 HB2 GLN 10 31.152 12.170 21.303
84 HB3 GLN 10 HB1 GLN 10 30.703 11.823 23.014
85 HG2 GLN 10 HG2 GLN 10 29.045 10.133 22.249
86 HG3 GLN 10 HG1 GLN 10 29.406 10.490 20.522
87 HE21 GLN 10 HE21 GLN 10 30.052 8.031 22.671
88 H PHE 11 HN PHE 11 27.851 13.509 24.068
89 HA PHE 11 HA PHE 11 25.587 11.895 23.196
90 HB2 PHE 11 HB2 PHE 11 26.869 12.220 25.875
91 HB3 PHE 11 HB1 PHE 11 25.429 11.155 25.530
92 HD1 PHE 11 HD1 PHE 11 28.868 11.985 24.695
93 HD2 PHE 11 HD2 PHE 11 25.821 9.029 24.940
94 HE1 PHE 11 HE1 PHE 11 30.473 10.239 24.297
95 HE2 PHE 11 HE2 PHE 11 27.441 7.261 24.579
96 HZ PHE 11 HZ PHE 11 29.799 7.839 24.232
97 H ILE 12 HN ILE 12 27.142 14.053 25.183
98 HA ILE 12 HA ILE 12 24.899 15.245 26.283
99 HB ILE 12 HB ILE 12 27.726 16.124 26.461
100 HG12 ILE 12 HG12 ILE 12 27.773 14.278 28.353
101 HG13 ILE 12 HG11 ILE 12 26.716 13.496 27.174
102 HG21 ILE 12 HG21 ILE 12 27.142 16.682 28.792
103 HG22 ILE 12 HG22 ILE 12 25.602 15.748 28.691
104 HG23 ILE 12 HG23 ILE 12 25.789 17.284 27.760
105 HD11 ILE 12 HD11 ILE 12 29.535 14.407 26.788
106 HD12 ILE 12 HD12 ILE 12 28.480 14.304 25.367
107 HD13 ILE 12 HD13 ILE 12 28.802 12.827 26.363
108 H LEU 13 HN LEU 13 27.315 15.261 24.191
109 HA LEU 13 HA LEU 13 27.109 18.010 23.503
110 HB2 LEU 13 HB2 LEU 13 28.845 15.778 24.243
111 HB3 LEU 13 HB1 LEU 13 29.512 16.866 22.906
112 HG LEU 13 HG LEU 13 30.093 18.513 24.389
113 HD11 LEU 13 HD11 LEU 13 27.802 19.399 24.523
114 HD12 LEU 13 HD12 LEU 13 28.520 19.399 26.180
115 HD13 LEU 13 HD13 LEU 13 27.332 18.128 25.706
116 HD21 LEU 13 HD21 LEU 13 29.920 15.998 25.821
117 HD22 LEU 13 HD22 LEU 13 29.459 17.311 26.969
118 HD23 LEU 13 HD23 LEU 13 31.045 17.373 26.106
119 H GLN 14 HN GLN 14 25.353 16.601 22.249
120 HA GLN 14 HA GLN 14 26.613 16.076 19.650
121 HB2 GLN 14 HB2 GLN 14 24.656 14.292 19.506
122 HB3 GLN 14 HB1 GLN 14 26.198 13.849 20.391
123 HG2 GLN 14 HG2 GLN 14 25.279 14.416 22.516
124 HG3 GLN 14 HG1 GLN 14 23.807 15.173 21.788
125 HE21 GLN 14 HE21 GLN 14 25.397 12.080 20.720
126 HE22 GLN 14 HE22 GLN 14 24.027 11.067 21.032
127 H ARG 15 HN ARG 15 23.896 17.017 21.626
128 HA ARG 15 HA ARG 15 22.341 17.568 19.321
129 HB2 ARG 15 HB2 ARG 15 20.555 18.120 20.881
130 HB3 ARG 15 HB1 ARG 15 21.374 16.618 21.448
131 HG2 ARG 15 HG2 ARG 15 22.906 18.257 22.839
132 HG3 ARG 15 HG1 ARG 15 21.598 19.457 22.554
133 HD2 ARG 15 HD2 ARG 15 21.125 18.382 24.710
134 HD3 ARG 15 HD1 ARG 15 19.932 17.694 23.518
135 HE ARG 15 HE ARG 15 22.381 16.100 23.635
136 HH11 ARG 15 HH11 ARG 15 19.313 16.860 25.277
137 HH12 ARG 15 HH12 ARG 15 19.164 15.313 26.042
138 HH21 ARG 15 HH21 ARG 15 22.185 14.002 24.672
139 HH22 ARG 15 HH22 ARG 15 20.824 13.659 25.691
140 H LYS 16 HN LYS 16 24.631 19.110 21.375
141 HA LYS 16 HA LYS 16 23.645 21.770 20.627
142 HB2 LYS 16 HB2 LYS 16 25.937 21.011 22.537
143 HB3 LYS 16 HB1 LYS 16 25.202 22.648 22.334
144 HG2 LYS 16 HG2 LYS 16 23.023 21.752 23.198
145 HG3 LYS 16 HG1 LYS 16 23.807 20.150 23.422
146 HD2 LYS 16 HD2 LYS 16 25.428 21.161 25.037
147 HD3 LYS 16 HD1 LYS 16 24.655 22.768 24.812
148 HE2 LYS 16 HE2 LYS 16 22.498 21.870 25.733
149 HE3 LYS 16 HE1 LYS 16 23.272 20.245 25.953
150 HZ1 LYS 16 HZ1 LYS 16 24.406 20.953 27.714
151 HZ2 LYS 16 HZ2 LYS 16 23.189 22.134 27.807
152 HZ3 LYS 16 HZ3 LYS 16 24.687 22.511 27.101
153 H LYS 17 HN LYS 17 25.979 19.305 20.421
154 HA LYS 17 HA LYS 17 27.624 20.972 18.629
155 HB2 LYS 17 HB2 LYS 17 28.281 18.531 20.346
156 HB3 LYS 17 HB1 LYS 17 29.378 19.092 19.031
157 HG2 LYS 17 HG2 LYS 17 29.547 21.336 20.160
158 HG3 LYS 17 HG1 LYS 17 28.486 20.736 21.483
159 HD2 LYS 17 HD2 LYS 17 30.168 18.968 22.033
160 HD3 LYS 17 HD1 LYS 17 31.224 19.553 20.702
161 HE2 LYS 17 HE2 LYS 17 31.446 21.779 21.848
162 HE3 LYS 17 HE1 LYS 17 30.377 21.190 23.189
163 HZ1 LYS 17 HZ1 LYS 17 32.487 19.361 22.667
164 HZ2 LYS 17 HZ2 LYS 17 32.079 20.182 24.096
165 HZ3 LYS 17 HZ3 LYS 17 33.102 20.916 22.957
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 27.942 1.666 37.082
2 H2 ALA 1 HT2 ALA 1 26.347 1.106 37.258
3 H3 ALA 1 HT3 ALA 1 27.072 2.009 38.500
4 HA ALA 1 HA ALA 1 25.491 2.954 36.505
5 HB1 ALA 1 HB1 ALA 1 25.867 3.985 38.775
6 HB2 ALA 1 HB2 ALA 1 26.077 5.205 37.463
7 HB3 ALA 1 HB3 ALA 1 27.524 4.473 38.256
8 H MET 2 HN MET 2 27.272 1.679 34.838
9 HA MET 2 HA MET 2 28.502 3.991 33.515
10 HB2 MET 2 HB2 MET 2 29.771 1.202 33.821
11 HB3 MET 2 HB1 MET 2 30.346 2.476 32.686
12 HG2 MET 2 HG2 MET 2 30.871 3.982 34.569
13 HG3 MET 2 HG1 MET 2 30.185 2.814 35.741
14 HE1 MET 2 HE1 MET 2 34.125 2.803 33.402
15 HE2 MET 2 HE2 MET 2 32.637 3.789 33.191
16 HE3 MET 2 HE3 MET 2 32.720 2.129 32.506
17 H ARG 3 HN ARG 3 28.946 3.538 31.257
18 HA ARG 3 HA ARG 3 27.875 1.520 29.802
19 HB2 ARG 3 HB2 ARG 3 25.572 2.112 30.478
20 HB3 ARG 3 HB1 ARG 3 26.012 3.865 30.414
21 HG2 ARG 3 HG2 ARG 3 26.173 3.864 28.028
22 HG3 ARG 3 HG1 ARG 3 26.071 2.072 27.935
23 HD2 ARG 3 HD2 ARG 3 23.880 3.085 27.280
24 HD3 ARG 3 HD1 ARG 3 23.686 2.204 28.861
25 HE ARG 3 HE ARG 3 24.397 4.983 29.328
26 HH11 ARG 3 HH11 ARG 3 21.768 2.827 28.271
27 HH12 ARG 3 HH12 ARG 3 20.490 3.858 28.822
28 HH21 ARG 3 HH21 ARG 3 22.660 6.389 30.079
29 HH22 ARG 3 HH22 ARG 3 21.008 5.918 29.867
30 H LEU 4 HN LEU 4 28.202 4.824 30.587
31 HA LEU 4 HA LEU 4 28.352 6.084 28.281
32 HB2 LEU 4 HB2 LEU 4 29.996 6.585 30.835
33 HB3 LEU 4 HB1 LEU 4 29.848 7.780 29.503
34 HG LEU 4 HG LEU 4 28.018 7.163 31.730
35 HD11 LEU 4 HD11 LEU 4 27.294 9.546 30.187
36 HD12 LEU 4 HD12 LEU 4 29.086 9.452 30.333
37 HD13 LEU 4 HD13 LEU 4 28.058 9.428 31.816
38 HD21 LEU 4 HD21 LEU 4 26.379 6.135 30.437
39 HD22 LEU 4 HD22 LEU 4 26.895 6.929 28.901
40 HD23 LEU 4 HD23 LEU 4 25.951 7.856 30.120
41 H SER 5 HN SER 5 29.347 5.166 26.600
42 HA SER 5 HA SER 5 32.042 4.112 26.903
43 HB2 SER 5 HB2 SER 5 30.118 4.064 24.505
44 HB3 SER 5 HB1 SER 5 31.771 3.326 24.502
45 HG SER 5 HG SER 5 29.874 2.722 26.512
46 H DPP 6 HN DPP 6 30.706 5.925 23.988
47 HA DPP 6 HA DPP 6 33.278 7.168 23.673
48 HB2 DPP 6 HB2 DPP 6 31.370 6.635 21.754
49 HB3 DPP 6 HB3 DPP 6 32.485 8.036 21.571
50 H PHE 7 HN PHE 7 31.988 7.647 26.305
51 HA PHE 7 HA PHE 7 30.439 9.849 26.027
52 HB2 PHE 7 HB2 PHE 7 31.152 8.494 28.380
53 HB3 PHE 7 HB1 PHE 7 31.292 10.307 28.577
54 HD1 PHE 7 HD1 PHE 7 29.095 7.611 27.556
55 HD2 PHE 7 HD2 PHE 7 29.545 11.727 28.169
56 HE1 PHE 7 HE1 PHE 7 26.709 7.929 27.339
57 HE2 PHE 7 HE2 PHE 7 27.200 12.043 27.918
58 HZ PHE 7 HZ PHE 7 25.854 10.133 27.572
59 H PHE 8 HN PHE 8 30.247 11.522 26.449
60 HA PHE 8 HA PHE 8 30.384 13.468 26.611
61 HB2 PHE 8 HB2 PHE 8 33.193 12.937 27.648
62 HB3 PHE 8 HB1 PHE 8 32.788 14.652 27.138
63 HD1 PHE 8 HD1 PHE 8 31.943 11.899 29.347
64 HD2 PHE 8 HD2 PHE 8 30.942 15.683 27.816
65 HE1 PHE 8 HE1 PHE 8 29.941 11.880 30.695
66 HE2 PHE 8 HE2 PHE 8 28.986 15.762 29.145
67 HZ PHE 8 HZ PHE 8 28.456 13.855 30.638
68 H ARG 9 HN ARG 9 30.348 14.984 25.760
69 HA ARG 9 HA ARG 9 29.986 16.174 24.216
70 HB2 ARG 9 HB2 ARG 9 32.700 15.685 22.954
71 HB3 ARG 9 HB1 ARG 9 31.695 17.165 22.789
72 HG2 ARG 9 HG2 ARG 9 32.676 18.085 24.614
73 HG3 ARG 9 HG1 ARG 9 32.128 16.703 25.636
74 HD2 ARG 9 HD2 ARG 9 34.755 16.873 24.001
75 HD3 ARG 9 HD1 ARG 9 34.564 16.795 25.816
76 HE ARG 9 HE ARG 9 33.169 14.557 24.632
77 HH11 ARG 9 HH11 ARG 9 36.466 15.884 25.139
78 HH12 ARG 9 HH12 ARG 9 37.250 14.341 25.185
79 HH21 ARG 9 HH21 ARG 9 34.258 12.463 24.700
80 HH22 ARG 9 HH22 ARG 9 35.973 12.361 24.931
81 H GLN 10 HN GLN 10 28.691 14.033 23.973
82 HA GLN 10 HA GLN 10 28.480 13.743 21.246
83 HB2 GLN 10 HB2 GLN 10 30.490 12.500 21.325
84 HB3 GLN 10 HB1 GLN 10 30.166 12.091 23.050
85 HG2 GLN 10 HG2 GLN 10 28.528 10.359 22.346
86 HG3 GLN 10 HG1 GLN 10 28.769 10.768 20.609
87 HE21 GLN 10 HE21 GLN 10 29.623 8.283 22.639
88 H PHE 11 HN PHE 11 27.299 13.719 24.296
89 HA PHE 11 HA PHE 11 25.037 12.055 23.536
90 HB2 PHE 11 HB2 PHE 11 26.477 12.306 26.144
91 HB3 PHE 11 HB1 PHE 11 25.052 11.208 25.839
92 HD1 PHE 11 HD1 PHE 11 28.414 12.176 24.877
93 HD2 PHE 11 HD2 PHE 11 25.475 9.118 25.128
94 HE1 PHE 11 HE1 PHE 11 30.054 10.507 24.333
95 HE2 PHE 11 HE2 PHE 11 27.133 7.420 24.621
96 HZ PHE 11 HZ PHE 11 29.455 8.090 24.200
97 H ILE 12 HN ILE 12 26.670 14.230 25.459
98 HA ILE 12 HA ILE 12 24.470 15.233 26.810
99 HB ILE 12 HB ILE 12 27.268 16.224 26.803
100 HG12 ILE 12 HG12 ILE 12 27.482 14.316 28.630
101 HG13 ILE 12 HG11 ILE 12 26.376 13.551 27.486
102 HG21 ILE 12 HG21 ILE 12 25.422 17.302 28.274
103 HG22 ILE 12 HG22 ILE 12 26.838 16.673 29.198
104 HG23 ILE 12 HG23 ILE 12 25.301 15.730 29.152
105 HD11 ILE 12 HD11 ILE 12 28.003 14.457 25.609
106 HD12 ILE 12 HD12 ILE 12 28.425 12.966 26.539
107 HD13 ILE 12 HD13 ILE 12 29.136 14.553 26.973
108 H LEU 13 HN LEU 13 26.699 15.507 24.533
109 HA LEU 13 HA LEU 13 26.401 18.302 24.094
110 HB2 LEU 13 HB2 LEU 13 28.194 15.998 24.452
111 HB3 LEU 13 HB1 LEU 13 28.728 17.193 23.133
112 HG LEU 13 HG LEU 13 29.473 18.715 24.692
113 HD11 LEU 13 HD11 LEU 13 28.052 19.384 26.743
114 HD12 LEU 13 HD12 LEU 13 26.788 18.252 26.126
115 HD13 LEU 13 HD13 LEU 13 27.285 19.672 25.135
116 HD21 LEU 13 HD21 LEU 13 29.077 17.384 27.222
117 HD22 LEU 13 HD22 LEU 13 30.549 17.371 26.173
118 HD23 LEU 13 HD23 LEU 13 29.290 16.104 25.971
119 H GLN 14 HN GLN 14 25.748 15.281 22.925
120 HA GLN 14 HA GLN 14 26.409 15.146 20.318
121 HB2 GLN 14 HB2 GLN 14 24.027 14.063 20.114
122 HB3 GLN 14 HB1 GLN 14 25.222 13.318 21.270
123 HG2 GLN 14 HG2 GLN 14 24.310 14.709 23.139
124 HG3 GLN 14 HG1 GLN 14 23.097 15.431 22.013
125 HE21 GLN 14 HE21 GLN 14 21.274 14.537 23.148
126 HE22 GLN 14 HE22 GLN 14 20.876 12.855 23.064
127 H ARG 15 HN ARG 15 23.979 17.197 21.778
128 HA ARG 15 HA ARG 15 22.640 17.657 19.348
129 HB2 ARG 15 HB2 ARG 15 21.248 19.190 20.641
130 HB3 ARG 15 HB1 ARG 15 21.544 17.687 21.592
131 HG2 ARG 15 HG2 ARG 15 23.456 18.836 22.770
132 HG3 ARG 15 HG1 ARG 15 23.057 20.351 21.893
133 HD2 ARG 15 HD2 ARG 15 20.759 20.367 22.950
134 HD3 ARG 15 HD1 ARG 15 21.191 18.856 23.868
135 HE ARG 15 HE ARG 15 23.232 20.832 24.332
136 HH11 ARG 15 HH11 ARG 15 19.792 20.159 24.963
137 HH12 ARG 15 HH12 ARG 15 19.739 21.020 26.464
138 HH21 ARG 15 HH21 ARG 15 23.162 22.004 26.375
139 HH22 ARG 15 HH22 ARG 15 21.688 22.088 27.280
140 H LYS 16 HN LYS 16 25.459 19.057 20.865
141 HA LYS 16 HA LYS 16 25.081 21.428 19.184
142 HB2 LYS 16 HB2 LYS 16 25.188 22.353 21.367
143 HB3 LYS 16 HB1 LYS 16 26.251 21.026 21.958
144 HG2 LYS 16 HG2 LYS 16 28.150 21.949 20.652
145 HG3 LYS 16 HG1 LYS 16 27.103 23.263 20.019
146 HD2 LYS 16 HD2 LYS 16 27.638 22.797 23.016
147 HD3 LYS 16 HD1 LYS 16 28.636 23.881 21.989
148 HE2 LYS 16 HE2 LYS 16 26.552 25.231 21.444
149 HE3 LYS 16 HE1 LYS 16 25.613 24.175 22.580
150 HZ1 LYS 16 HZ1 LYS 16 27.387 26.343 23.123
151 HZ2 LYS 16 HZ2 LYS 16 27.815 24.950 23.995
152 HZ3 LYS 16 HZ3 LYS 16 26.244 25.582 24.121
153 H LYS 17 HN LYS 17 27.107 18.920 20.497
154 HA LYS 17 HA LYS 17 29.120 19.537 18.432
155 HB2 LYS 17 HB2 LYS 17 29.249 18.092 21.123
156 HB3 LYS 17 HB1 LYS 17 30.575 17.955 19.905
157 HG2 LYS 17 HG2 LYS 17 30.849 20.459 19.955
158 HG3 LYS 17 HG1 LYS 17 29.554 20.564 21.195
159 HD2 LYS 17 HD2 LYS 17 30.924 19.175 22.754
160 HD3 LYS 17 HD1 LYS 17 32.216 19.045 21.512
161 HE2 LYS 17 HE2 LYS 17 32.537 21.538 21.576
162 HE3 LYS 17 HE1 LYS 17 31.229 21.669 22.824
163 HZ1 LYS 17 HZ1 LYS 17 33.770 21.447 23.415
164 HZ2 LYS 17 HZ2 LYS 17 33.407 19.790 23.338
165 HZ3 LYS 17 HZ3 LYS 17 32.544 20.801 24.395
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 27.074 1.414 38.383
2 H2 ALA 1 HT2 ALA 1 27.751 1.153 36.847
3 H3 ALA 1 HT3 ALA 1 26.069 1.047 37.063
4 HA ALA 1 HA ALA 1 25.773 3.187 36.817
5 HB1 ALA 1 HB1 ALA 1 28.299 3.628 38.529
6 HB2 ALA 1 HB2 ALA 1 26.611 3.555 39.165
7 HB3 ALA 1 HB3 ALA 1 27.108 4.908 38.080
8 H MET 2 HN MET 2 26.885 1.881 34.696
9 HA MET 2 HA MET 2 28.383 4.011 33.497
10 HB2 MET 2 HB2 MET 2 30.227 2.581 32.648
11 HB3 MET 2 HB1 MET 2 30.313 2.741 34.442
12 HG2 MET 2 HG2 MET 2 29.174 0.513 34.675
13 HG3 MET 2 HG1 MET 2 29.125 0.357 32.892
14 HE1 MET 2 HE1 MET 2 32.046 1.329 31.781
15 HE2 MET 2 HE2 MET 2 30.753 0.145 31.390
16 HE3 MET 2 HE3 MET 2 32.447 -0.414 31.608
17 H ARG 3 HN ARG 3 28.877 3.476 31.230
18 HA ARG 3 HA ARG 3 27.773 1.510 29.783
19 HB2 ARG 3 HB2 ARG 3 25.466 2.100 30.450
20 HB3 ARG 3 HB1 ARG 3 25.906 3.854 30.387
21 HG2 ARG 3 HG2 ARG 3 26.070 3.859 28.006
22 HG3 ARG 3 HG1 ARG 3 25.985 2.067 27.906
23 HD2 ARG 3 HD2 ARG 3 23.665 3.809 28.995
24 HD3 ARG 3 HD1 ARG 3 23.796 3.258 27.265
25 HE ARG 3 HE ARG 3 24.107 0.956 28.938
26 HH11 ARG 3 HH11 ARG 3 21.703 3.442 28.088
27 HH12 ARG 3 HH12 ARG 3 20.328 2.421 28.342
28 HH21 ARG 3 HH21 ARG 3 22.239 -0.435 29.285
29 HH22 ARG 3 HH22 ARG 3 20.639 0.177 29.035
30 H LEU 4 HN LEU 4 28.092 4.812 30.567
31 HA LEU 4 HA LEU 4 28.256 6.062 28.252
32 HB2 LEU 4 HB2 LEU 4 29.850 6.590 30.831
33 HB3 LEU 4 HB1 LEU 4 29.716 7.775 29.491
34 HG LEU 4 HG LEU 4 27.842 7.144 31.681
35 HD11 LEU 4 HD11 LEU 4 28.934 9.441 30.324
36 HD12 LEU 4 HD12 LEU 4 27.854 9.411 31.769
37 HD13 LEU 4 HD13 LEU 4 27.146 9.525 30.115
38 HD21 LEU 4 HD21 LEU 4 26.254 6.099 30.334
39 HD22 LEU 4 HD22 LEU 4 26.787 6.927 28.821
40 HD23 LEU 4 HD23 LEU 4 25.806 7.819 30.037
41 H SER 5 HN SER 5 29.282 5.147 26.593
42 HA SER 5 HA SER 5 31.967 4.094 26.926
43 HB2 SER 5 HB2 SER 5 30.255 2.803 25.568
44 HB3 SER 5 HB1 SER 5 30.245 4.158 24.376
45 HG SER 5 HG SER 5 32.191 2.245 24.949
46 H DPP 6 HN DPP 6 30.767 5.926 23.971
47 HA DPP 6 HA DPP 6 33.330 7.195 23.781
48 HB2 DPP 6 HB2 DPP 6 31.496 6.680 21.788
49 HB3 DPP 6 HB3 DPP 6 32.612 8.087 21.663
50 H PHE 7 HN PHE 7 31.952 7.654 26.371
51 HA PHE 7 HA PHE 7 30.406 9.853 26.057
52 HB2 PHE 7 HB2 PHE 7 31.048 8.482 28.421
53 HB3 PHE 7 HB1 PHE 7 31.172 10.294 28.637
54 HD1 PHE 7 HD1 PHE 7 29.016 7.595 27.529
55 HD2 PHE 7 HD2 PHE 7 29.437 11.711 28.179
56 HE1 PHE 7 HE1 PHE 7 26.637 7.910 27.239
57 HE2 PHE 7 HE2 PHE 7 27.101 12.023 27.857
58 HZ PHE 7 HZ PHE 7 25.772 10.112 27.457
59 H PHE 8 HN PHE 8 30.196 11.523 26.483
60 HA PHE 8 HA PHE 8 30.322 13.467 26.667
61 HB2 PHE 8 HB2 PHE 8 33.096 12.936 27.792
62 HB3 PHE 8 HB1 PHE 8 32.706 14.653 27.280
63 HD1 PHE 8 HD1 PHE 8 31.790 11.884 29.439
64 HD2 PHE 8 HD2 PHE 8 30.836 15.680 27.904
65 HE1 PHE 8 HE1 PHE 8 29.744 11.854 30.719
66 HE2 PHE 8 HE2 PHE 8 28.836 15.745 29.168
67 HZ PHE 8 HZ PHE 8 28.260 13.827 30.626
68 H ARG 9 HN ARG 9 30.316 14.995 25.831
69 HA ARG 9 HA ARG 9 29.993 16.191 24.285
70 HB2 ARG 9 HB2 ARG 9 32.751 15.746 23.102
71 HB3 ARG 9 HB1 ARG 9 31.739 17.223 22.937
72 HG2 ARG 9 HG2 ARG 9 32.668 18.112 24.802
73 HG3 ARG 9 HG1 ARG 9 32.086 16.716 25.785
74 HD2 ARG 9 HD2 ARG 9 34.766 16.910 24.241
75 HD3 ARG 9 HD1 ARG 9 34.516 16.807 26.046
76 HE ARG 9 HE ARG 9 33.164 14.584 24.782
77 HH11 ARG 9 HH11 ARG 9 36.436 15.908 25.438
78 HH12 ARG 9 HH12 ARG 9 37.221 14.366 25.493
79 HH21 ARG 9 HH21 ARG 9 34.254 12.491 24.863
80 HH22 ARG 9 HH22 ARG 9 35.959 12.388 25.161
81 H GLN 10 HN GLN 10 28.719 14.051 23.979
82 HA GLN 10 HA GLN 10 28.601 13.776 21.244
83 HB2 GLN 10 HB2 GLN 10 30.610 12.539 21.389
84 HB3 GLN 10 HB1 GLN 10 30.223 12.114 23.096
85 HG2 GLN 10 HG2 GLN 10 28.619 10.386 22.319
86 HG3 GLN 10 HG1 GLN 10 28.915 10.813 20.597
87 HE21 GLN 10 HE21 GLN 10 29.714 8.314 22.637
88 H PHE 11 HN PHE 11 27.315 13.724 24.256
89 HA PHE 11 HA PHE 11 25.085 12.059 23.407
90 HB2 PHE 11 HB2 PHE 11 26.435 12.293 26.064
91 HB3 PHE 11 HB1 PHE 11 25.024 11.194 25.703
92 HD1 PHE 11 HD1 PHE 11 28.413 12.177 24.860
93 HD2 PHE 11 HD2 PHE 11 25.474 9.113 24.992
94 HE1 PHE 11 HE1 PHE 11 30.073 10.516 24.356
95 HE2 PHE 11 HE2 PHE 11 27.152 7.421 24.528
96 HZ PHE 11 HZ PHE 11 29.485 8.099 24.186
97 H ILE 12 HN ILE 12 26.644 14.220 25.402
98 HA ILE 12 HA ILE 12 24.398 15.213 26.682
99 HB ILE 12 HB ILE 12 27.192 16.215 26.768
100 HG12 ILE 12 HG12 ILE 12 27.356 14.300 28.594
101 HG13 ILE 12 HG11 ILE 12 26.289 13.535 27.414
102 HG21 ILE 12 HG21 ILE 12 25.197 15.685 29.082
103 HG22 ILE 12 HG22 ILE 12 25.246 17.247 28.180
104 HG23 ILE 12 HG23 ILE 12 26.686 16.705 29.121
105 HD11 ILE 12 HD11 ILE 12 27.972 14.458 25.593
106 HD12 ILE 12 HD12 ILE 12 28.366 12.962 26.526
107 HD13 ILE 12 HD13 ILE 12 29.061 14.546 26.993
108 H LEU 13 HN LEU 13 26.698 15.493 24.480
109 HA LEU 13 HA LEU 13 26.403 18.283 24.011
110 HB2 LEU 13 HB2 LEU 13 28.193 15.993 24.448
111 HB3 LEU 13 HB1 LEU 13 28.768 17.190 23.147
112 HG LEU 13 HG LEU 13 29.437 18.726 24.728
113 HD11 LEU 13 HD11 LEU 13 27.215 19.646 25.089
114 HD12 LEU 13 HD12 LEU 13 27.942 19.389 26.721
115 HD13 LEU 13 HD13 LEU 13 26.717 18.229 26.081
116 HD21 LEU 13 HD21 LEU 13 29.236 16.115 26.013
117 HD22 LEU 13 HD22 LEU 13 28.980 17.402 27.248
118 HD23 LEU 13 HD23 LEU 13 30.480 17.391 26.242
119 H GLN 14 HN GLN 14 25.736 15.281 22.856
120 HA GLN 14 HA GLN 14 26.492 15.122 20.266
121 HB2 GLN 14 HB2 GLN 14 24.112 14.054 20.000
122 HB3 GLN 14 HB1 GLN 14 25.265 13.304 21.196
123 HG2 GLN 14 HG2 GLN 14 24.306 14.720 23.028
124 HG3 GLN 14 HG1 GLN 14 23.132 15.439 21.858
125 HE21 GLN 14 HE21 GLN 14 21.259 14.569 22.910
126 HE22 GLN 14 HE22 GLN 14 20.856 12.888 22.841
127 H ARG 15 HN ARG 15 24.027 17.177 21.671
128 HA ARG 15 HA ARG 15 22.859 17.711 19.140
129 HB2 ARG 15 HB2 ARG 15 21.270 19.074 20.394
130 HB3 ARG 15 HB1 ARG 15 21.548 17.524 21.274
131 HG2 ARG 15 HG2 ARG 15 23.491 18.875 22.486
132 HG3 ARG 15 HG1 ARG 15 22.575 20.320 21.934
133 HD2 ARG 15 HD2 ARG 15 21.312 18.018 23.583
134 HD3 ARG 15 HD1 ARG 15 21.931 19.579 24.286
135 HE ARG 15 HE ARG 15 20.138 20.242 22.159
136 HH11 ARG 15 HH11 ARG 15 20.162 18.628 25.332
137 HH12 ARG 15 HH12 ARG 15 18.530 19.049 25.732
138 HH21 ARG 15 HH21 ARG 15 17.919 20.816 22.700
139 HH22 ARG 15 HH22 ARG 15 17.233 20.314 24.209
140 H LYS 16 HN LYS 16 25.447 19.004 21.041
141 HA LYS 16 HA LYS 16 25.121 21.637 19.784
142 HB2 LYS 16 HB2 LYS 16 27.203 20.802 21.877
143 HB3 LYS 16 HB1 LYS 16 26.755 22.481 21.395
144 HG2 LYS 16 HG2 LYS 16 24.438 22.068 22.330
145 HG3 LYS 16 HG1 LYS 16 25.004 20.454 22.886
146 HD2 LYS 16 HD2 LYS 16 26.831 21.642 24.222
147 HD3 LYS 16 HD1 LYS 16 26.065 23.205 23.782
148 HE2 LYS 16 HE2 LYS 16 24.665 20.915 25.324
149 HE3 LYS 16 HE1 LYS 16 25.346 22.425 26.060
150 HZ1 LYS 16 HZ1 LYS 16 23.781 23.374 24.091
151 HZ2 LYS 16 HZ2 LYS 16 23.320 23.192 25.715
152 HZ3 LYS 16 HZ3 LYS 16 22.910 22.000 24.576
153 H LYS 17 HN LYS 17 27.036 18.820 20.308
154 HA LYS 17 HA LYS 17 29.181 19.742 18.592
155 HB2 LYS 17 HB2 LYS 17 28.518 17.142 20.036
156 HB3 LYS 17 HB1 LYS 17 29.781 17.143 18.752
157 HG2 LYS 17 HG2 LYS 17 29.806 19.022 21.192
158 HG3 LYS 17 HG1 LYS 17 30.641 17.432 21.139
159 HD2 LYS 17 HD2 LYS 17 31.962 18.227 19.137
160 HD3 LYS 17 HD1 LYS 17 31.165 19.832 19.275
161 HE2 LYS 17 HE2 LYS 17 32.145 20.129 21.570
162 HE3 LYS 17 HE1 LYS 17 32.946 18.508 21.432
163 HZ1 LYS 17 HZ1 LYS 17 34.289 19.269 19.717
164 HZ2 LYS 17 HZ2 LYS 17 34.291 20.531 20.855
165 HZ3 LYS 17 HZ3 LYS 17 33.359 20.663 19.440
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 27.208 -0.655 36.211
2 H2 ALA 1 HT2 ALA 1 28.825 -0.135 36.189
3 H3 ALA 1 HT3 ALA 1 27.825 0.142 34.843
4 HA ALA 1 HA ALA 1 26.426 1.297 36.803
5 HB1 ALA 1 HB1 ALA 1 29.421 1.859 37.280
6 HB2 ALA 1 HB2 ALA 1 28.326 0.987 38.420
7 HB3 ALA 1 HB3 ALA 1 28.061 2.739 38.076
8 H MET 2 HN MET 2 29.393 1.899 34.791
9 HA MET 2 HA MET 2 28.027 4.312 33.779
10 HB2 MET 2 HB2 MET 2 30.938 3.392 33.547
11 HB3 MET 2 HB1 MET 2 30.241 4.812 32.697
12 HG2 MET 2 HG2 MET 2 29.756 5.927 34.845
13 HG3 MET 2 HG1 MET 2 30.291 4.482 35.759
14 HE1 MET 2 HE1 MET 2 32.071 6.329 32.494
15 HE2 MET 2 HE2 MET 2 32.682 7.685 33.503
16 HE3 MET 2 HE3 MET 2 30.926 7.302 33.483
17 H ARG 3 HN ARG 3 26.783 3.797 32.195
18 HA ARG 3 HA ARG 3 27.457 1.780 30.375
19 HB2 ARG 3 HB2 ARG 3 25.087 2.462 30.719
20 HB3 ARG 3 HB1 ARG 3 25.556 4.164 30.335
21 HG2 ARG 3 HG2 ARG 3 26.037 3.625 28.035
22 HG3 ARG 3 HG1 ARG 3 25.842 1.857 28.331
23 HD2 ARG 3 HD2 ARG 3 23.406 2.141 28.742
24 HD3 ARG 3 HD1 ARG 3 23.570 3.950 28.618
25 HE ARG 3 HE ARG 3 24.638 2.870 26.215
26 HH11 ARG 3 HH11 ARG 3 21.569 2.940 28.020
27 HH12 ARG 3 HH12 ARG 3 20.560 2.846 26.614
28 HH21 ARG 3 HH21 ARG 3 23.267 2.742 24.300
29 HH22 ARG 3 HH22 ARG 3 21.544 2.730 24.464
30 H LEU 4 HN LEU 4 27.508 5.181 30.710
31 HA LEU 4 HA LEU 4 28.004 6.279 28.484
32 HB2 LEU 4 HB2 LEU 4 29.608 6.804 31.058
33 HB3 LEU 4 HB1 LEU 4 29.518 7.959 29.685
34 HG LEU 4 HG LEU 4 27.629 7.461 31.898
35 HD11 LEU 4 HD11 LEU 4 27.036 9.831 30.272
36 HD12 LEU 4 HD12 LEU 4 28.816 9.673 30.485
37 HD13 LEU 4 HD13 LEU 4 27.737 9.725 31.930
38 HD21 LEU 4 HD21 LEU 4 26.560 7.185 29.056
39 HD22 LEU 4 HD22 LEU 4 25.629 8.202 30.212
40 HD23 LEU 4 HD23 LEU 4 25.969 6.475 30.607
41 H SER 5 HN SER 5 29.002 5.328 26.844
42 HA SER 5 HA SER 5 31.633 4.150 27.220
43 HB2 SER 5 HB2 SER 5 31.327 3.539 24.685
44 HB3 SER 5 HB1 SER 5 30.253 2.713 25.882
45 HG SER 5 HG SER 5 28.760 3.474 24.664
46 H DPP 6 HN DPP 6 30.512 5.927 24.221
47 HA DPP 6 HA DPP 6 33.112 7.122 24.003
48 HB2 DPP 6 HB2 DPP 6 31.279 6.589 22.017
49 HB3 DPP 6 HB3 DPP 6 32.421 7.971 21.854
50 H PHE 7 HN PHE 7 31.748 7.704 26.572
51 HA PHE 7 HA PHE 7 30.252 9.925 26.184
52 HB2 PHE 7 HB2 PHE 7 30.868 8.626 28.595
53 HB3 PHE 7 HB1 PHE 7 31.037 10.441 28.745
54 HD1 PHE 7 HD1 PHE 7 28.818 7.758 27.738
55 HD2 PHE 7 HD2 PHE 7 29.331 11.882 28.243
56 HE1 PHE 7 HE1 PHE 7 26.447 8.116 27.440
57 HE2 PHE 7 HE2 PHE 7 27.002 12.234 27.914
58 HZ PHE 7 HZ PHE 7 25.629 10.342 27.583
59 H PHE 8 HN PHE 8 30.080 11.614 26.550
60 HA PHE 8 HA PHE 8 30.249 13.562 26.664
61 HB2 PHE 8 HB2 PHE 8 33.015 13.008 27.802
62 HB3 PHE 8 HB1 PHE 8 32.659 14.715 27.233
63 HD1 PHE 8 HD1 PHE 8 31.693 12.041 29.490
64 HD2 PHE 8 HD2 PHE 8 30.814 15.799 27.823
65 HE1 PHE 8 HE1 PHE 8 29.650 12.099 30.775
66 HE2 PHE 8 HE2 PHE 8 28.820 15.952 29.088
67 HZ PHE 8 HZ PHE 8 28.207 14.099 30.615
68 H ARG 9 HN ARG 9 30.267 15.054 25.770
69 HA ARG 9 HA ARG 9 29.977 16.207 24.183
70 HB2 ARG 9 HB2 ARG 9 32.722 15.627 23.027
71 HB3 ARG 9 HB1 ARG 9 31.752 17.119 22.776
72 HG2 ARG 9 HG2 ARG 9 32.688 18.083 24.602
73 HG3 ARG 9 HG1 ARG 9 32.076 16.748 25.650
74 HD2 ARG 9 HD2 ARG 9 34.763 16.812 24.107
75 HD3 ARG 9 HD1 ARG 9 34.505 16.800 25.915
76 HE ARG 9 HE ARG 9 33.114 14.547 24.752
77 HH11 ARG 9 HH11 ARG 9 36.407 15.836 25.364
78 HH12 ARG 9 HH12 ARG 9 37.161 14.282 25.495
79 HH21 ARG 9 HH21 ARG 9 34.163 12.438 24.933
80 HH22 ARG 9 HH22 ARG 9 35.863 12.316 25.245
81 H GLN 10 HN GLN 10 28.652 14.078 23.961
82 HA GLN 10 HA GLN 10 28.516 13.720 21.237
83 HB2 GLN 10 HB2 GLN 10 30.500 12.446 21.410
84 HB3 GLN 10 HB1 GLN 10 30.119 12.091 23.135
85 HG2 GLN 10 HG2 GLN 10 28.473 10.366 22.428
86 HG3 GLN 10 HG1 GLN 10 28.773 10.723 20.689
87 HE21 GLN 10 HE21 GLN 10 29.525 8.282 22.813
88 H PHE 11 HN PHE 11 27.244 13.802 24.247
89 HA PHE 11 HA PHE 11 24.978 12.152 23.469
90 HB2 PHE 11 HB2 PHE 11 26.344 12.461 26.109
91 HB3 PHE 11 HB1 PHE 11 24.910 11.377 25.797
92 HD1 PHE 11 HD1 PHE 11 28.315 12.259 24.903
93 HD2 PHE 11 HD2 PHE 11 25.316 9.260 25.165
94 HE1 PHE 11 HE1 PHE 11 29.939 10.546 24.454
95 HE2 PHE 11 HE2 PHE 11 26.957 7.519 24.756
96 HZ PHE 11 HZ PHE 11 29.301 8.136 24.376
97 H ILE 12 HN ILE 12 26.588 14.361 25.374
98 HA ILE 12 HA ILE 12 24.365 15.436 26.627
99 HB ILE 12 HB ILE 12 27.178 16.379 26.680
100 HG12 ILE 12 HG12 ILE 12 27.301 14.522 28.566
101 HG13 ILE 12 HG11 ILE 12 26.217 13.744 27.412
102 HG21 ILE 12 HG21 ILE 12 26.681 16.895 29.053
103 HG22 ILE 12 HG22 ILE 12 25.121 15.991 28.973
104 HG23 ILE 12 HG23 ILE 12 25.317 17.536 28.061
105 HD11 ILE 12 HD11 ILE 12 29.011 14.677 26.954
106 HD12 ILE 12 HD12 ILE 12 27.922 14.568 25.562
107 HD13 ILE 12 HD13 ILE 12 28.284 13.093 26.546
108 H LEU 13 HN LEU 13 26.672 15.616 24.419
109 HA LEU 13 HA LEU 13 26.440 18.405 23.903
110 HB2 LEU 13 HB2 LEU 13 28.176 16.074 24.368
111 HB3 LEU 13 HB1 LEU 13 28.774 17.228 23.040
112 HG LEU 13 HG LEU 13 29.496 18.774 24.588
113 HD11 LEU 13 HD11 LEU 13 26.762 18.387 25.949
114 HD12 LEU 13 HD12 LEU 13 27.311 19.776 24.940
115 HD13 LEU 13 HD13 LEU 13 28.025 19.513 26.578
116 HD21 LEU 13 HD21 LEU 13 30.500 17.451 26.136
117 HD22 LEU 13 HD22 LEU 13 29.233 16.196 25.914
118 HD23 LEU 13 HD23 LEU 13 28.994 17.503 27.132
119 H GLN 14 HN GLN 14 25.766 15.367 22.780
120 HA GLN 14 HA GLN 14 26.500 15.196 20.186
121 HB2 GLN 14 HB2 GLN 14 24.130 14.100 19.939
122 HB3 GLN 14 HB1 GLN 14 25.297 13.374 21.136
123 HG2 GLN 14 HG2 GLN 14 24.331 14.788 22.959
124 HG3 GLN 14 HG1 GLN 14 23.146 15.490 21.793
125 HE21 GLN 14 HE21 GLN 14 21.287 14.611 22.863
126 HE22 GLN 14 HE22 GLN 14 20.898 12.925 22.802
127 H ARG 15 HN ARG 15 24.066 17.274 21.581
128 HA ARG 15 HA ARG 15 22.734 17.703 19.147
129 HB2 ARG 15 HB2 ARG 15 21.406 19.337 20.408
130 HB3 ARG 15 HB1 ARG 15 21.628 17.827 21.367
131 HG2 ARG 15 HG2 ARG 15 23.481 18.847 22.643
132 HG3 ARG 15 HG1 ARG 15 23.379 20.344 21.659
133 HD2 ARG 15 HD2 ARG 15 21.049 19.279 23.407
134 HD3 ARG 15 HD1 ARG 15 22.233 20.560 23.928
135 HE ARG 15 HE ARG 15 21.181 21.364 21.401
136 HH11 ARG 15 HH11 ARG 15 20.089 20.698 24.725
137 HH12 ARG 15 HH12 ARG 15 18.783 21.835 24.689
138 HH21 ARG 15 HH21 ARG 15 19.404 22.911 21.350
139 HH22 ARG 15 HH22 ARG 15 18.387 23.113 22.737
140 H LYS 16 HN LYS 16 25.591 19.085 20.607
141 HA LYS 16 HA LYS 16 25.271 21.396 18.833
142 HB2 LYS 16 HB2 LYS 16 25.323 22.369 21.015
143 HB3 LYS 16 HB1 LYS 16 26.438 21.093 21.631
144 HG2 LYS 16 HG2 LYS 16 28.297 22.033 20.326
145 HG3 LYS 16 HG1 LYS 16 27.210 23.250 19.572
146 HD2 LYS 16 HD2 LYS 16 26.854 24.367 21.716
147 HD3 LYS 16 HD1 LYS 16 27.679 23.044 22.609
148 HE2 LYS 16 HE2 LYS 16 29.191 25.009 22.396
149 HE3 LYS 16 HE1 LYS 16 29.845 23.631 21.414
150 HZ1 LYS 16 HZ1 LYS 16 29.411 26.139 20.538
151 HZ2 LYS 16 HZ2 LYS 16 28.018 25.341 19.985
152 HZ3 LYS 16 HZ3 LYS 16 29.556 24.762 19.557
153 H LYS 17 HN LYS 17 27.275 18.975 20.346
154 HA LYS 17 HA LYS 17 29.359 19.497 18.334
155 HB2 LYS 17 HB2 LYS 17 29.335 18.060 21.034
156 HB3 LYS 17 HB1 LYS 17 30.723 17.924 19.888
157 HG2 LYS 17 HG2 LYS 17 31.003 20.423 19.960
158 HG3 LYS 17 HG1 LYS 17 29.639 20.533 21.124
159 HD2 LYS 17 HD2 LYS 17 30.917 19.110 22.746
160 HD3 LYS 17 HD1 LYS 17 32.285 19.021 21.584
161 HE2 LYS 17 HE2 LYS 17 31.184 21.640 22.812
162 HE3 LYS 17 HE1 LYS 17 32.660 20.754 23.380
163 HZ1 LYS 17 HZ1 LYS 17 33.729 21.944 21.901
164 HZ2 LYS 17 HZ2 LYS 17 32.310 22.510 21.162
165 HZ3 LYS 17 HZ3 LYS 17 32.986 21.029 20.679
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 26.602 1.144 37.298
2 H2 ALA 1 HT2 ALA 1 27.259 2.148 38.501
3 H3 ALA 1 HT3 ALA 1 28.154 1.808 37.098
4 HA ALA 1 HA ALA 1 25.618 2.897 36.475
5 HB1 ALA 1 HB1 ALA 1 25.940 4.046 38.701
6 HB2 ALA 1 HB2 ALA 1 26.043 5.218 37.333
7 HB3 ALA 1 HB3 ALA 1 27.549 4.634 38.135
8 H MET 2 HN MET 2 27.452 1.678 34.843
9 HA MET 2 HA MET 2 28.602 4.004 33.462
10 HB2 MET 2 HB2 MET 2 29.871 1.205 33.641
11 HB3 MET 2 HB1 MET 2 30.459 2.567 32.623
12 HG2 MET 2 HG2 MET 2 30.334 2.524 35.700
13 HG3 MET 2 HG1 MET 2 31.804 2.288 34.705
14 HE1 MET 2 HE1 MET 2 32.763 3.654 33.203
15 HE2 MET 2 HE2 MET 2 32.887 5.446 33.277
16 HE3 MET 2 HE3 MET 2 31.576 4.675 32.320
17 H ARG 3 HN ARG 3 28.992 3.562 31.200
18 HA ARG 3 HA ARG 3 27.890 1.542 29.762
19 HB2 ARG 3 HB2 ARG 3 25.603 2.148 30.478
20 HB3 ARG 3 HB1 ARG 3 26.052 3.899 30.413
21 HG2 ARG 3 HG2 ARG 3 26.170 3.908 28.025
22 HG3 ARG 3 HG1 ARG 3 26.055 2.117 27.925
23 HD2 ARG 3 HD2 ARG 3 23.788 3.888 29.074
24 HD3 ARG 3 HD1 ARG 3 23.872 3.349 27.338
25 HE ARG 3 HE ARG 3 24.182 1.028 28.983
26 HH11 ARG 3 HH11 ARG 3 21.801 3.565 28.224
27 HH12 ARG 3 HH12 ARG 3 20.415 2.562 28.495
28 HH21 ARG 3 HH21 ARG 3 22.299 -0.338 29.352
29 HH22 ARG 3 HH22 ARG 3 20.704 0.305 29.147
30 H LEU 4 HN LEU 4 28.239 4.845 30.542
31 HA LEU 4 HA LEU 4 28.350 6.111 28.244
32 HB2 LEU 4 HB2 LEU 4 30.048 6.595 30.762
33 HB3 LEU 4 HB1 LEU 4 29.870 7.798 29.442
34 HG LEU 4 HG LEU 4 28.085 7.158 31.702
35 HD11 LEU 4 HD11 LEU 4 27.348 9.560 30.181
36 HD12 LEU 4 HD12 LEU 4 29.139 9.459 30.331
37 HD13 LEU 4 HD13 LEU 4 28.108 9.423 31.810
38 HD21 LEU 4 HD21 LEU 4 26.419 6.150 30.430
39 HD22 LEU 4 HD22 LEU 4 26.908 6.958 28.892
40 HD23 LEU 4 HD23 LEU 4 25.990 7.875 30.139
41 H SER 5 HN SER 5 29.303 5.242 26.527
42 HA SER 5 HA SER 5 31.988 4.153 26.726
43 HB2 SER 5 HB2 SER 5 31.582 3.653 24.177
44 HB3 SER 5 HB1 SER 5 30.602 2.730 25.385
45 HG SER 5 HG SER 5 28.966 3.525 24.428
46 H DPP 6 HN DPP 6 30.689 6.016 23.854
47 HA DPP 6 HA DPP 6 33.239 7.303 23.582
48 HB2 DPP 6 HB2 DPP 6 31.338 6.798 21.653
49 HB3 DPP 6 HB3 DPP 6 32.432 8.219 21.504
50 H PHE 7 HN PHE 7 31.972 7.735 26.229
51 HA PHE 7 HA PHE 7 30.397 9.924 26.000
52 HB2 PHE 7 HB2 PHE 7 31.150 8.540 28.323
53 HB3 PHE 7 HB1 PHE 7 31.267 10.352 28.548
54 HD1 PHE 7 HD1 PHE 7 29.093 7.643 27.505
55 HD2 PHE 7 HD2 PHE 7 29.502 11.754 28.178
56 HE1 PHE 7 HE1 PHE 7 26.702 7.937 27.315
57 HE2 PHE 7 HE2 PHE 7 27.152 12.046 27.957
58 HZ PHE 7 HZ PHE 7 25.824 10.129 27.592
59 H PHE 8 HN PHE 8 30.191 11.588 26.445
60 HA PHE 8 HA PHE 8 30.304 13.531 26.638
61 HB2 PHE 8 HB2 PHE 8 33.130 13.022 27.638
62 HB3 PHE 8 HB1 PHE 8 32.699 14.739 27.154
63 HD1 PHE 8 HD1 PHE 8 31.905 11.945 29.329
64 HD2 PHE 8 HD2 PHE 8 30.849 15.743 27.868
65 HE1 PHE 8 HE1 PHE 8 29.917 11.884 30.697
66 HE2 PHE 8 HE2 PHE 8 28.905 15.779 29.219
67 HZ PHE 8 HZ PHE 8 28.411 13.844 30.684
68 H ARG 9 HN ARG 9 30.250 15.066 25.818
69 HA ARG 9 HA ARG 9 29.841 16.267 24.300
70 HB2 ARG 9 HB2 ARG 9 32.548 15.876 22.993
71 HB3 ARG 9 HB1 ARG 9 31.502 17.333 22.872
72 HG2 ARG 9 HG2 ARG 9 32.501 18.239 24.692
73 HG3 ARG 9 HG1 ARG 9 31.965 16.842 25.701
74 HD2 ARG 9 HD2 ARG 9 34.595 17.074 24.080
75 HD3 ARG 9 HD1 ARG 9 34.393 16.930 25.889
76 HE ARG 9 HE ARG 9 33.030 14.717 24.641
77 HH11 ARG 9 HH11 ARG 9 36.317 16.071 25.145
78 HH12 ARG 9 HH12 ARG 9 37.123 14.539 25.117
79 HH21 ARG 9 HH21 ARG 9 34.149 12.640 24.604
80 HH22 ARG 9 HH22 ARG 9 35.869 12.552 24.804
81 H GLN 10 HN GLN 10 28.580 14.116 24.028
82 HA GLN 10 HA GLN 10 28.348 13.868 21.295
83 HB2 GLN 10 HB2 GLN 10 30.371 12.650 21.342
84 HB3 GLN 10 HB1 GLN 10 30.064 12.210 23.062
85 HG2 GLN 10 HG2 GLN 10 28.443 10.467 22.341
86 HG3 GLN 10 HG1 GLN 10 28.665 10.910 20.610
87 HE21 GLN 10 HE21 GLN 10 29.572 8.400 22.590
88 H PHE 11 HN PHE 11 27.195 13.765 24.362
89 HA PHE 11 HA PHE 11 24.950 12.086 23.590
90 HB2 PHE 11 HB2 PHE 11 26.407 12.319 26.191
91 HB3 PHE 11 HB1 PHE 11 24.992 11.207 25.882
92 HD1 PHE 11 HD1 PHE 11 28.331 12.232 24.906
93 HD2 PHE 11 HD2 PHE 11 25.430 9.139 25.133
94 HE1 PHE 11 HE1 PHE 11 29.985 10.591 24.318
95 HE2 PHE 11 HE2 PHE 11 27.102 7.466 24.585
96 HZ PHE 11 HZ PHE 11 29.412 8.169 24.152
97 H ILE 12 HN ILE 12 26.564 14.240 25.545
98 HA ILE 12 HA ILE 12 24.362 15.207 26.916
99 HB ILE 12 HB ILE 12 27.145 16.244 26.889
100 HG12 ILE 12 HG12 ILE 12 27.415 14.325 28.694
101 HG13 ILE 12 HG11 ILE 12 26.308 13.549 27.559
102 HG21 ILE 12 HG21 ILE 12 25.164 15.717 29.222
103 HG22 ILE 12 HG22 ILE 12 25.350 17.308 28.390
104 HG23 ILE 12 HG23 ILE 12 26.729 16.610 29.321
105 HD11 ILE 12 HD11 ILE 12 27.897 14.505 25.670
106 HD12 ILE 12 HD12 ILE 12 28.353 13.009 26.576
107 HD13 ILE 12 HD13 ILE 12 29.046 14.601 27.020
108 H LEU 13 HN LEU 13 26.573 15.520 24.625
109 HA LEU 13 HA LEU 13 26.218 18.306 24.167
110 HB2 LEU 13 HB2 LEU 13 28.063 16.052 24.550
111 HB3 LEU 13 HB1 LEU 13 28.571 17.255 23.231
112 HG LEU 13 HG LEU 13 29.267 18.804 24.783
113 HD11 LEU 13 HD11 LEU 13 26.601 18.265 26.223
114 HD12 LEU 13 HD12 LEU 13 27.053 19.694 25.226
115 HD13 LEU 13 HD13 LEU 13 27.830 19.435 26.834
116 HD21 LEU 13 HD21 LEU 13 30.387 17.513 26.278
117 HD22 LEU 13 HD22 LEU 13 29.193 16.189 26.055
118 HD23 LEU 13 HD23 LEU 13 28.910 17.448 27.315
119 H GLN 14 HN GLN 14 25.541 15.301 23.047
120 HA GLN 14 HA GLN 14 26.253 15.015 20.481
121 HB2 GLN 14 HB2 GLN 14 23.770 14.126 20.253
122 HB3 GLN 14 HB1 GLN 14 24.911 13.314 21.422
123 HG2 GLN 14 HG2 GLN 14 24.105 14.756 23.279
124 HG3 GLN 14 HG1 GLN 14 23.009 15.636 22.154
125 HE21 GLN 14 HE21 GLN 14 23.676 12.070 22.073
126 HE22 GLN 14 HE22 GLN 14 22.056 11.581 22.433
127 H ARG 15 HN ARG 15 23.886 17.264 21.743
128 HA ARG 15 HA ARG 15 22.657 17.739 19.275
129 HB2 ARG 15 HB2 ARG 15 21.434 19.489 20.472
130 HB3 ARG 15 HB1 ARG 15 21.565 18.017 21.504
131 HG2 ARG 15 HG2 ARG 15 23.598 19.019 22.627
132 HG3 ARG 15 HG1 ARG 15 23.353 20.519 21.675
133 HD2 ARG 15 HD2 ARG 15 21.207 19.351 23.580
134 HD3 ARG 15 HD1 ARG 15 22.392 20.646 24.040
135 HE ARG 15 HE ARG 15 21.366 22.108 22.332
136 HH11 ARG 15 HH11 ARG 15 19.652 19.056 23.045
137 HH12 ARG 15 HH12 ARG 15 18.124 19.601 22.438
138 HH21 ARG 15 HH21 ARG 15 19.291 22.833 21.511
139 HH22 ARG 15 HH22 ARG 15 17.917 21.780 21.552
140 H LYS 16 HN LYS 16 25.564 18.897 20.757
141 HA LYS 16 HA LYS 16 25.557 21.206 18.978
142 HB2 LYS 16 HB2 LYS 16 25.597 22.001 21.297
143 HB3 LYS 16 HB1 LYS 16 26.823 20.757 21.734
144 HG2 LYS 16 HG2 LYS 16 28.482 21.852 20.265
145 HG3 LYS 16 HG1 LYS 16 27.267 23.077 19.764
146 HD2 LYS 16 HD2 LYS 16 27.093 23.874 22.129
147 HD3 LYS 16 HD1 LYS 16 28.286 22.631 22.641
148 HE2 LYS 16 HE2 LYS 16 30.037 23.700 21.194
149 HE3 LYS 16 HE1 LYS 16 28.832 24.947 20.661
150 HZ1 LYS 16 HZ1 LYS 16 28.762 24.874 23.430
151 HZ2 LYS 16 HZ2 LYS 16 29.397 26.085 22.423
152 HZ3 LYS 16 HZ3 LYS 16 30.405 24.846 23.001
153 H LYS 17 HN LYS 17 27.473 18.831 20.752
154 HA LYS 17 HA LYS 17 29.419 17.838 20.274
155 HB2 LYS 17 HB2 LYS 17 27.654 17.546 17.956
156 HB3 LYS 17 HB1 LYS 17 29.372 17.536 17.418
157 HG2 LYS 17 HG2 LYS 17 29.875 15.733 19.090
158 HG3 LYS 17 HG1 LYS 17 28.149 15.738 19.597
159 HD2 LYS 17 HD2 LYS 17 27.467 15.100 17.273
160 HD3 LYS 17 HD1 LYS 17 29.192 15.099 16.765
161 HE2 LYS 17 HE2 LYS 17 29.678 13.246 18.391
162 HE3 LYS 17 HE1 LYS 17 27.941 13.252 18.913
163 HZ1 LYS 17 HZ1 LYS 17 27.509 11.938 17.240
164 HZ2 LYS 17 HZ2 LYS 17 29.128 11.965 16.730
165 HZ3 LYS 17 HZ3 LYS 17 28.028 13.108 16.124
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 25.780 -0.128 36.462
2 H2 ALA 1 HT2 ALA 1 27.390 -0.452 36.034
3 H3 ALA 1 HT3 ALA 1 26.394 0.436 34.982
4 HA ALA 1 HA ALA 1 26.239 1.847 37.264
5 HB1 ALA 1 HB1 ALA 1 28.655 2.204 37.960
6 HB2 ALA 1 HB2 ALA 1 29.133 0.859 36.856
7 HB3 ALA 1 HB3 ALA 1 28.094 0.522 38.292
8 H MET 2 HN MET 2 28.593 1.292 34.544
9 HA MET 2 HA MET 2 27.992 4.069 33.707
10 HB2 MET 2 HB2 MET 2 30.610 2.498 33.390
11 HB3 MET 2 HB1 MET 2 30.249 4.084 32.626
12 HG2 MET 2 HG2 MET 2 29.912 5.034 34.989
13 HG3 MET 2 HG1 MET 2 30.535 3.481 35.628
14 HE1 MET 2 HE1 MET 2 32.870 2.622 33.561
15 HE2 MET 2 HE2 MET 2 32.613 2.477 35.334
16 HE3 MET 2 HE3 MET 2 34.140 3.184 34.703
17 H ARG 3 HN ARG 3 27.058 4.194 31.918
18 HA ARG 3 HA ARG 3 27.242 1.963 30.084
19 HB2 ARG 3 HB2 ARG 3 24.921 2.680 30.438
20 HB3 ARG 3 HB1 ARG 3 25.461 4.403 30.432
21 HG2 ARG 3 HG2 ARG 3 25.929 4.360 28.056
22 HG3 ARG 3 HG1 ARG 3 25.651 2.587 27.960
23 HD2 ARG 3 HD2 ARG 3 23.370 4.368 28.970
24 HD3 ARG 3 HD1 ARG 3 23.736 4.316 27.190
25 HE ARG 3 HE ARG 3 23.600 1.626 28.304
26 HH11 ARG 3 HH11 ARG 3 21.669 4.468 27.369
27 HH12 ARG 3 HH12 ARG 3 20.272 3.562 26.890
28 HH21 ARG 3 HH21 ARG 3 21.700 0.382 27.638
29 HH22 ARG 3 HH22 ARG 3 20.294 1.198 27.043
30 H LEU 4 HN LEU 4 27.754 5.251 30.820
31 HA LEU 4 HA LEU 4 28.199 6.447 28.553
32 HB2 LEU 4 HB2 LEU 4 29.773 6.817 31.171
33 HB3 LEU 4 HB1 LEU 4 29.772 8.020 29.827
34 HG LEU 4 HG LEU 4 27.870 7.621 32.027
35 HD11 LEU 4 HD11 LEU 4 27.279 9.967 30.392
36 HD12 LEU 4 HD12 LEU 4 29.066 9.764 30.484
37 HD13 LEU 4 HD13 LEU 4 28.094 9.876 31.999
38 HD21 LEU 4 HD21 LEU 4 25.862 8.382 30.345
39 HD22 LEU 4 HD22 LEU 4 26.141 6.665 30.815
40 HD23 LEU 4 HD23 LEU 4 26.733 7.274 29.223
41 H SER 5 HN SER 5 29.199 5.495 26.916
42 HA SER 5 HA SER 5 31.807 4.254 27.366
43 HB2 SER 5 HB2 SER 5 31.471 3.480 24.878
44 HB3 SER 5 HB1 SER 5 30.429 2.719 26.145
45 HG SER 5 HG SER 5 28.786 3.558 25.231
46 H DPP 6 HN DPP 6 30.565 5.920 24.337
47 HA DPP 6 HA DPP 6 33.170 7.066 23.954
48 HB2 DPP 6 HB2 DPP 6 31.229 6.499 22.083
49 HB3 DPP 6 HB3 DPP 6 32.387 7.851 21.816
50 H PHE 7 HN PHE 7 31.936 7.736 26.570
51 HA PHE 7 HA PHE 7 30.447 9.965 26.188
52 HB2 PHE 7 HB2 PHE 7 31.142 8.721 28.608
53 HB3 PHE 7 HB1 PHE 7 31.348 10.537 28.701
54 HD1 PHE 7 HD1 PHE 7 29.065 7.871 27.853
55 HD2 PHE 7 HD2 PHE 7 29.640 11.991 28.233
56 HE1 PHE 7 HE1 PHE 7 26.683 8.244 27.643
57 HE2 PHE 7 HE2 PHE 7 27.304 12.363 27.994
58 HZ PHE 7 HZ PHE 7 25.894 10.484 27.765
59 H PHE 8 HN PHE 8 30.309 11.671 26.500
60 HA PHE 8 HA PHE 8 30.505 13.619 26.559
61 HB2 PHE 8 HB2 PHE 8 33.319 13.067 27.576
62 HB3 PHE 8 HB1 PHE 8 32.948 14.763 26.981
63 HD1 PHE 8 HD1 PHE 8 32.073 12.155 29.347
64 HD2 PHE 8 HD2 PHE 8 31.140 15.878 27.631
65 HE1 PHE 8 HE1 PHE 8 30.092 12.254 30.725
66 HE2 PHE 8 HE2 PHE 8 29.208 16.076 28.983
67 HZ PHE 8 HZ PHE 8 28.654 14.265 30.584
68 H ARG 9 HN ARG 9 30.495 15.090 25.629
69 HA ARG 9 HA ARG 9 30.117 16.197 24.027
70 HB2 ARG 9 HB2 ARG 9 32.807 15.611 22.752
71 HB3 ARG 9 HB1 ARG 9 31.812 17.089 22.517
72 HG2 ARG 9 HG2 ARG 9 32.836 18.101 24.268
73 HG3 ARG 9 HG1 ARG 9 32.271 16.795 25.378
74 HD2 ARG 9 HD2 ARG 9 34.895 16.840 23.734
75 HD3 ARG 9 HD1 ARG 9 34.698 16.824 25.548
76 HE ARG 9 HE ARG 9 33.265 14.572 24.476
77 HH11 ARG 9 HH11 ARG 9 36.595 15.866 24.801
78 HH12 ARG 9 HH12 ARG 9 37.363 14.315 24.854
79 HH21 ARG 9 HH21 ARG 9 34.328 12.465 24.547
80 HH22 ARG 9 HH22 ARG 9 36.050 12.345 24.706
81 H GLN 10 HN GLN 10 28.790 14.075 23.923
82 HA GLN 10 HA GLN 10 28.527 13.634 21.219
83 HB2 GLN 10 HB2 GLN 10 30.511 12.353 21.354
84 HB3 GLN 10 HB1 GLN 10 30.192 12.047 23.101
85 HG2 GLN 10 HG2 GLN 10 28.503 10.325 22.507
86 HG3 GLN 10 HG1 GLN 10 28.736 10.633 20.749
87 HE21 GLN 10 HE21 GLN 10 29.543 8.237 22.896
88 H PHE 11 HN PHE 11 27.387 13.829 24.279
89 HA PHE 11 HA PHE 11 25.073 12.186 23.646
90 HB2 PHE 11 HB2 PHE 11 26.561 12.537 26.214
91 HB3 PHE 11 HB1 PHE 11 25.099 11.466 25.991
92 HD1 PHE 11 HD1 PHE 11 28.473 12.279 24.937
93 HD2 PHE 11 HD2 PHE 11 25.446 9.333 25.379
94 HE1 PHE 11 HE1 PHE 11 30.056 10.532 24.466
95 HE2 PHE 11 HE2 PHE 11 27.044 7.558 24.946
96 HZ PHE 11 HZ PHE 11 29.382 8.131 24.468
97 H ILE 12 HN ILE 12 26.791 14.406 25.435
98 HA ILE 12 HA ILE 12 24.641 15.548 26.758
99 HB ILE 12 HB ILE 12 27.462 16.462 26.648
100 HG12 ILE 12 HG12 ILE 12 27.660 14.653 28.574
101 HG13 ILE 12 HG11 ILE 12 26.515 13.858 27.490
102 HG21 ILE 12 HG21 ILE 12 25.380 16.239 28.943
103 HG22 ILE 12 HG22 ILE 12 25.858 17.759 28.095
104 HG23 ILE 12 HG23 ILE 12 27.054 16.884 29.124
105 HD11 ILE 12 HD11 ILE 12 28.130 14.615 25.542
106 HD12 ILE 12 HD12 ILE 12 28.536 13.169 26.546
107 HD13 ILE 12 HD13 ILE 12 29.291 14.761 26.877
108 H LEU 13 HN LEU 13 26.814 15.613 24.411
109 HA LEU 13 HA LEU 13 26.570 18.384 23.808
110 HB2 LEU 13 HB2 LEU 13 28.325 16.073 24.279
111 HB3 LEU 13 HB1 LEU 13 28.858 17.168 22.876
112 HG LEU 13 HG LEU 13 29.681 18.756 24.323
113 HD11 LEU 13 HD11 LEU 13 27.001 18.498 25.814
114 HD12 LEU 13 HD12 LEU 13 27.523 19.813 24.699
115 HD13 LEU 13 HD13 LEU 13 28.307 19.638 26.315
116 HD21 LEU 13 HD21 LEU 13 29.448 16.253 25.771
117 HD22 LEU 13 HD22 LEU 13 29.231 17.602 26.944
118 HD23 LEU 13 HD23 LEU 13 30.716 17.518 25.920
119 H GLN 14 HN GLN 14 25.821 15.319 22.857
120 HA GLN 14 HA GLN 14 26.445 14.973 20.264
121 HB2 GLN 14 HB2 GLN 14 24.040 13.947 20.156
122 HB3 GLN 14 HB1 GLN 14 25.216 13.261 21.366
123 HG2 GLN 14 HG2 GLN 14 24.354 14.830 23.118
124 HG3 GLN 14 HG1 GLN 14 23.153 15.485 21.935
125 HE21 GLN 14 HE21 GLN 14 21.291 14.745 23.078
126 HE22 GLN 14 HE22 GLN 14 20.854 13.073 23.166
127 H ARG 15 HN ARG 15 24.042 17.216 21.558
128 HA ARG 15 HA ARG 15 22.912 17.511 18.951
129 HB2 ARG 15 HB2 ARG 15 21.190 18.849 20.011
130 HB3 ARG 15 HB1 ARG 15 21.493 17.386 21.019
131 HG2 ARG 15 HG2 ARG 15 23.011 18.701 22.500
132 HG3 ARG 15 HG1 ARG 15 22.724 20.164 21.505
133 HD2 ARG 15 HD2 ARG 15 21.275 20.271 23.521
134 HD3 ARG 15 HD1 ARG 15 20.221 19.999 22.068
135 HE ARG 15 HE ARG 15 19.727 17.823 22.875
136 HH11 ARG 15 HH11 ARG 15 22.395 19.315 24.709
137 HH12 ARG 15 HH12 ARG 15 22.422 18.107 25.949
138 HH21 ARG 15 HH21 ARG 15 19.750 16.195 24.575
139 HH22 ARG 15 HH22 ARG 15 20.890 16.307 25.874
140 H LYS 16 HN LYS 16 25.385 19.039 20.838
141 HA LYS 16 HA LYS 16 24.929 21.570 19.401
142 HB2 LYS 16 HB2 LYS 16 26.909 20.971 21.674
143 HB3 LYS 16 HB1 LYS 16 26.500 22.596 21.005
144 HG2 LYS 16 HG2 LYS 16 24.141 22.306 21.817
145 HG3 LYS 16 HG1 LYS 16 24.608 20.711 22.506
146 HD2 LYS 16 HD2 LYS 16 26.281 21.837 23.988
147 HD3 LYS 16 HD1 LYS 16 25.820 23.434 23.301
148 HE2 LYS 16 HE2 LYS 16 23.485 23.147 24.183
149 HE3 LYS 16 HE1 LYS 16 23.944 21.532 24.868
150 HZ1 LYS 16 HZ1 LYS 16 24.105 23.865 26.160
151 HZ2 LYS 16 HZ2 LYS 16 25.696 23.721 25.586
152 HZ3 LYS 16 HZ3 LYS 16 25.021 22.485 26.533
153 H LYS 17 HN LYS 17 26.897 18.898 20.178
154 HA LYS 17 HA LYS 17 28.834 19.704 18.086
155 HB2 LYS 17 HB2 LYS 17 29.134 18.044 20.639
156 HB3 LYS 17 HB1 LYS 17 30.379 18.027 19.332
157 HG2 LYS 17 HG2 LYS 17 30.671 20.504 19.589
158 HG3 LYS 17 HG1 LYS 17 29.429 20.517 20.887
159 HD2 LYS 17 HD2 LYS 17 30.859 18.982 22.261
160 HD3 LYS 17 HD1 LYS 17 32.103 18.983 20.966
161 HE2 LYS 17 HE2 LYS 17 31.145 21.504 22.484
162 HE3 LYS 17 HE1 LYS 17 32.661 20.577 22.845
163 HZ1 LYS 17 HZ1 LYS 17 33.613 21.828 21.342
164 HZ2 LYS 17 HZ2 LYS 17 32.144 22.514 20.836
165 HZ3 LYS 17 HZ3 LYS 17 32.690 21.066 20.137
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 26.591 1.065 37.260
2 H2 ALA 1 HT2 ALA 1 27.251 2.001 38.514
3 H3 ALA 1 HT3 ALA 1 28.152 1.719 37.103
4 HA ALA 1 HA ALA 1 25.617 2.876 36.551
5 HB1 ALA 1 HB1 ALA 1 26.028 3.940 38.807
6 HB2 ALA 1 HB2 ALA 1 26.124 5.155 37.475
7 HB3 ALA 1 HB3 ALA 1 27.637 4.506 38.216
8 H MET 2 HN MET 2 27.478 1.639 34.892
9 HA MET 2 HA MET 2 28.566 3.989 33.501
10 HB2 MET 2 HB2 MET 2 29.911 1.225 33.656
11 HB3 MET 2 HB1 MET 2 30.466 2.623 32.668
12 HG2 MET 2 HG2 MET 2 30.304 2.560 35.743
13 HG3 MET 2 HG1 MET 2 31.791 2.303 34.778
14 HE1 MET 2 HE1 MET 2 32.873 3.996 36.312
15 HE2 MET 2 HE2 MET 2 31.344 4.386 37.172
16 HE3 MET 2 HE3 MET 2 32.379 5.710 36.534
17 H ARG 3 HN ARG 3 28.961 3.553 31.245
18 HA ARG 3 HA ARG 3 27.895 1.503 29.820
19 HB2 ARG 3 HB2 ARG 3 25.609 2.112 30.577
20 HB3 ARG 3 HB1 ARG 3 26.033 3.861 30.402
21 HG2 ARG 3 HG2 ARG 3 26.160 3.707 28.012
22 HG3 ARG 3 HG1 ARG 3 26.015 1.914 28.039
23 HD2 ARG 3 HD2 ARG 3 23.665 2.052 28.826
24 HD3 ARG 3 HD1 ARG 3 23.797 3.858 29.002
25 HE ARG 3 HE ARG 3 24.507 3.272 26.320
26 HH11 ARG 3 HH11 ARG 3 21.740 2.835 28.519
27 HH12 ARG 3 HH12 ARG 3 20.537 2.936 27.276
28 HH21 ARG 3 HH21 ARG 3 22.873 3.408 24.628
29 HH22 ARG 3 HH22 ARG 3 21.194 3.267 25.025
30 H LEU 4 HN LEU 4 28.178 4.819 30.561
31 HA LEU 4 HA LEU 4 28.285 6.069 28.256
32 HB2 LEU 4 HB2 LEU 4 29.963 6.581 30.784
33 HB3 LEU 4 HB1 LEU 4 29.794 7.774 29.454
34 HG LEU 4 HG LEU 4 27.986 7.143 31.696
35 HD11 LEU 4 HD11 LEU 4 27.264 9.529 30.133
36 HD12 LEU 4 HD12 LEU 4 29.051 9.438 30.333
37 HD13 LEU 4 HD13 LEU 4 27.979 9.410 31.785
38 HD21 LEU 4 HD21 LEU 4 26.363 6.096 30.387
39 HD22 LEU 4 HD22 LEU 4 26.840 6.947 28.868
40 HD23 LEU 4 HD23 LEU 4 25.897 7.818 30.129
41 H SER 5 HN SER 5 29.249 5.174 26.554
42 HA SER 5 HA SER 5 31.927 4.092 26.763
43 HB2 SER 5 HB2 SER 5 31.549 3.618 24.207
44 HB3 SER 5 HB1 SER 5 30.539 2.699 25.393
45 HG SER 5 HG SER 5 28.944 3.510 24.375
46 H DPP 6 HN DPP 6 30.701 5.977 23.880
47 HA DPP 6 HA DPP 6 33.265 7.246 23.665
48 HB2 DPP 6 HB2 DPP 6 31.404 6.755 21.697
49 HB3 DPP 6 HB3 DPP 6 32.509 8.170 21.571
50 H PHE 7 HN PHE 7 31.944 7.684 26.283
51 HA PHE 7 HA PHE 7 30.389 9.884 26.024
52 HB2 PHE 7 HB2 PHE 7 31.089 8.494 28.359
53 HB3 PHE 7 HB1 PHE 7 31.214 10.304 28.589
54 HD1 PHE 7 HD1 PHE 7 29.038 7.607 27.512
55 HD2 PHE 7 HD2 PHE 7 29.467 11.719 28.179
56 HE1 PHE 7 HE1 PHE 7 26.652 7.919 27.280
57 HE2 PHE 7 HE2 PHE 7 27.123 12.028 27.913
58 HZ PHE 7 HZ PHE 7 25.788 10.118 27.532
59 H PHE 8 HN PHE 8 30.187 11.549 26.464
60 HA PHE 8 HA PHE 8 30.312 13.491 26.662
61 HB2 PHE 8 HB2 PHE 8 33.112 12.959 27.719
62 HB3 PHE 8 HB1 PHE 8 32.706 14.679 27.228
63 HD1 PHE 8 HD1 PHE 8 31.846 11.892 29.386
64 HD2 PHE 8 HD2 PHE 8 30.849 15.696 27.903
65 HE1 PHE 8 HE1 PHE 8 29.831 11.847 30.713
66 HE2 PHE 8 HE2 PHE 8 28.879 15.749 29.214
67 HZ PHE 8 HZ PHE 8 28.341 13.819 30.670
68 H ARG 9 HN ARG 9 30.281 15.025 25.839
69 HA ARG 9 HA ARG 9 29.920 16.234 24.310
70 HB2 ARG 9 HB2 ARG 9 32.653 15.797 23.067
71 HB3 ARG 9 HB1 ARG 9 31.633 17.270 22.919
72 HG2 ARG 9 HG2 ARG 9 32.593 18.166 24.765
73 HG3 ARG 9 HG1 ARG 9 32.034 16.769 25.760
74 HD2 ARG 9 HD2 ARG 9 34.688 16.974 24.172
75 HD3 ARG 9 HD1 ARG 9 34.465 16.862 25.981
76 HE ARG 9 HE ARG 9 33.101 14.641 24.733
77 HH11 ARG 9 HH11 ARG 9 36.380 15.971 25.332
78 HH12 ARG 9 HH12 ARG 9 37.172 14.431 25.363
79 HH21 ARG 9 HH21 ARG 9 34.200 12.551 24.778
80 HH22 ARG 9 HH22 ARG 9 35.909 12.451 25.042
81 H GLN 10 HN GLN 10 28.644 14.091 24.017
82 HA GLN 10 HA GLN 10 28.463 13.839 21.283
83 HB2 GLN 10 HB2 GLN 10 30.480 12.609 21.371
84 HB3 GLN 10 HB1 GLN 10 30.135 12.170 23.083
85 HG2 GLN 10 HG2 GLN 10 28.519 10.440 22.330
86 HG3 GLN 10 HG1 GLN 10 28.776 10.882 20.604
87 HE21 GLN 10 HE21 GLN 10 29.627 8.366 22.598
88 H PHE 11 HN PHE 11 27.249 13.759 24.323
89 HA PHE 11 HA PHE 11 25.003 12.096 23.511
90 HB2 PHE 11 HB2 PHE 11 26.412 12.311 26.140
91 HB3 PHE 11 HB1 PHE 11 24.997 11.211 25.801
92 HD1 PHE 11 HD1 PHE 11 28.363 12.211 24.889
93 HD2 PHE 11 HD2 PHE 11 25.438 9.135 25.070
94 HE1 PHE 11 HE1 PHE 11 30.017 10.558 24.334
95 HE2 PHE 11 HE2 PHE 11 27.111 7.452 24.556
96 HZ PHE 11 HZ PHE 11 29.433 8.140 24.161
97 H ILE 12 HN ILE 12 26.604 14.240 25.492
98 HA ILE 12 HA ILE 12 24.386 15.218 26.831
99 HB ILE 12 HB ILE 12 27.177 16.228 26.857
100 HG12 ILE 12 HG12 ILE 12 27.390 14.301 28.663
101 HG13 ILE 12 HG11 ILE 12 26.298 13.542 27.504
102 HG21 ILE 12 HG21 ILE 12 25.298 17.269 28.323
103 HG22 ILE 12 HG22 ILE 12 26.726 16.664 29.245
104 HG23 ILE 12 HG23 ILE 12 25.208 15.690 29.193
105 HD11 ILE 12 HD11 ILE 12 29.056 14.564 27.020
106 HD12 ILE 12 HD12 ILE 12 27.936 14.486 25.650
107 HD13 ILE 12 HD13 ILE 12 28.357 12.981 26.563
108 H LEU 13 HN LEU 13 26.634 15.522 24.577
109 HA LEU 13 HA LEU 13 26.312 18.313 24.132
110 HB2 LEU 13 HB2 LEU 13 28.128 16.031 24.517
111 HB3 LEU 13 HB1 LEU 13 28.665 17.236 23.210
112 HG LEU 13 HG LEU 13 29.369 18.762 24.780
113 HD11 LEU 13 HD11 LEU 13 27.160 19.689 25.191
114 HD12 LEU 13 HD12 LEU 13 27.914 19.418 26.809
115 HD13 LEU 13 HD13 LEU 13 26.673 18.265 26.183
116 HD21 LEU 13 HD21 LEU 13 30.441 17.433 26.278
117 HD22 LEU 13 HD22 LEU 13 29.207 16.146 26.053
118 HD23 LEU 13 HD23 LEU 13 28.954 17.420 27.304
119 H GLN 14 HN GLN 14 25.693 15.286 22.973
120 HA GLN 14 HA GLN 14 26.384 15.080 20.396
121 HB2 GLN 14 HB2 GLN 14 23.952 14.101 20.158
122 HB3 GLN 14 HB1 GLN 14 25.097 13.325 21.343
123 HG2 GLN 14 HG2 GLN 14 24.219 14.784 23.179
124 HG3 GLN 14 HG1 GLN 14 23.056 15.543 22.024
125 HE21 GLN 14 HE21 GLN 14 21.140 14.760 23.023
126 HE22 GLN 14 HE22 GLN 14 20.684 13.091 23.005
127 H ARG 15 HN ARG 15 23.937 17.217 21.720
128 HA ARG 15 HA ARG 15 22.718 17.687 19.238
129 HB2 ARG 15 HB2 ARG 15 21.338 19.290 20.450
130 HB3 ARG 15 HB1 ARG 15 21.565 17.810 21.457
131 HG2 ARG 15 HG2 ARG 15 23.607 19.029 22.512
132 HG3 ARG 15 HG1 ARG 15 22.972 20.522 21.738
133 HD2 ARG 15 HD2 ARG 15 22.104 20.488 24.029
134 HD3 ARG 15 HD1 ARG 15 20.709 20.044 22.949
135 HE ARG 15 HE ARG 15 22.172 17.674 23.827
136 HH11 ARG 15 HH11 ARG 15 19.844 20.187 24.799
137 HH12 ARG 15 HH12 ARG 15 19.046 19.208 25.984
138 HH21 ARG 15 HH21 ARG 15 21.092 16.343 25.444
139 HH22 ARG 15 HH22 ARG 15 19.769 16.985 26.357
140 H LYS 16 HN LYS 16 25.502 19.032 20.867
141 HA LYS 16 HA LYS 16 25.317 21.375 19.119
142 HB2 LYS 16 HB2 LYS 16 25.443 22.343 21.271
143 HB3 LYS 16 HB1 LYS 16 26.367 20.946 21.930
144 HG2 LYS 16 HG2 LYS 16 28.395 21.684 20.712
145 HG3 LYS 16 HG1 LYS 16 27.489 23.055 19.982
146 HD2 LYS 16 HD2 LYS 16 27.826 22.650 23.017
147 HD3 LYS 16 HD1 LYS 16 28.961 23.618 22.016
148 HE2 LYS 16 HE2 LYS 16 27.023 25.106 21.315
149 HE3 LYS 16 HE1 LYS 16 25.944 24.166 22.429
150 HZ1 LYS 16 HZ1 LYS 16 27.989 24.764 24.031
151 HZ2 LYS 16 HZ2 LYS 16 26.591 25.711 23.859
152 HZ3 LYS 16 HZ3 LYS 16 28.002 26.121 23.011
153 H LYS 17 HN LYS 17 27.184 18.763 20.488
154 HA LYS 17 HA LYS 17 29.354 19.334 18.594
155 HB2 LYS 17 HB2 LYS 17 29.058 17.770 21.166
156 HB3 LYS 17 HB1 LYS 17 30.266 17.171 19.970
157 HG2 LYS 17 HG2 LYS 17 30.262 20.124 20.731
158 HG3 LYS 17 HG1 LYS 17 30.949 18.926 21.879
159 HD2 LYS 17 HD2 LYS 17 32.462 18.076 20.050
160 HD3 LYS 17 HD1 LYS 17 31.801 19.327 18.942
161 HE2 LYS 17 HE2 LYS 17 33.169 20.003 21.630
162 HE3 LYS 17 HE1 LYS 17 34.040 19.939 20.041
163 HZ1 LYS 17 HZ1 LYS 17 33.356 21.970 19.687
164 HZ2 LYS 17 HZ2 LYS 17 32.465 21.994 21.131
165 HZ3 LYS 17 HZ3 LYS 17 31.737 21.462 19.693