NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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522584 |
2lkj   |
17990 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 2.753 -0.856 -1.223
3 HB2 LYS 1 2HB LYS 1 1.363 0.688 -3.129
4 HB3 LYS 1 3HB LYS 1 1.345 -1.061 -2.941
5 HG2 LYS 1 2HG LYS 1 -0.904 -0.388 -2.920
6 HG3 LYS 1 3HG LYS 1 -0.493 -0.728 -1.237
7 HD2 LYS 1 2HD LYS 1 -0.449 1.529 -0.666
8 HD3 LYS 1 3HD LYS 1 -0.252 2.048 -2.341
9 HE2 LYS 1 2HE LYS 1 -2.735 0.643 -1.408
10 HE3 LYS 1 3HE LYS 1 -2.541 2.386 -1.233
11 HZ1 LYS 1 3HZ LYS 1 -2.682 2.722 -3.460
12 HZ2 LYS 1 1HZ LYS 1 -3.630 1.323 -3.361
13 HZ3 LYS 1 2HZ LYS 1 -2.017 1.219 -3.861
14 H LEU 2 H LEU 2 1.585 2.301 -0.314
15 HA LEU 2 HA LEU 2 3.137 3.982 -1.845
16 HB2 LEU 2 2HB LEU 2 2.143 4.151 0.972
17 HB3 LEU 2 3HB LEU 2 3.167 5.425 0.313
18 HG LEU 2 HG LEU 2 1.535 6.047 -1.278
19 HD11 LEU 2 1HD1 LEU 2 0.873 3.816 -1.998
20 HD12 LEU 2 2HD1 LEU 2 -0.538 4.808 -1.633
21 HD13 LEU 2 3HD1 LEU 2 -0.005 3.579 -0.487
22 HD21 LEU 2 3HD2 LEU 2 1.134 6.430 1.304
23 HD22 LEU 2 1HD2 LEU 2 -0.283 5.428 0.991
24 HD23 LEU 2 2HD2 LEU 2 -0.055 6.933 0.101
25 H GLY 3 H GLY 3 5.239 3.715 -2.263
26 HA2 GLY 3 2HA GLY 3 7.455 4.289 -1.373
27 HA3 GLY 3 3HA GLY 3 7.046 3.332 0.043
28 H PHE 4 H PHE 4 5.758 1.302 -1.792
29 HA PHE 4 HA PHE 4 8.178 -0.231 -2.242
30 HB2 PHE 4 2HB PHE 4 6.868 -2.002 -1.835
31 HB3 PHE 4 3HB PHE 4 5.565 -0.871 -1.489
32 HD1 PHE 4 HD1 PHE 4 7.068 -3.010 -4.081
33 HD2 PHE 4 HD2 PHE 4 3.737 -0.602 -2.975
34 HE1 PHE 4 HE1 PHE 4 5.793 -3.906 -5.985
35 HE2 PHE 4 HE2 PHE 4 2.456 -1.495 -4.876
36 HZ PHE 4 HZ PHE 4 3.484 -3.149 -6.384
37 H PHE 5 H PHE 5 5.433 0.965 -4.146
38 HA PHE 5 HA PHE 5 6.577 0.025 -6.622
39 HB2 PHE 5 2HB PHE 5 4.628 1.093 -7.673
40 HB3 PHE 5 3HB PHE 5 4.146 0.055 -6.335
41 HD1 PHE 5 HD2 PHE 5 4.450 3.508 -7.508
42 HD2 PHE 5 HD1 PHE 5 3.200 0.975 -4.324
43 HE1 PHE 5 HE2 PHE 5 3.225 5.387 -6.498
44 HE2 PHE 5 HE1 PHE 5 1.972 2.850 -3.309
45 HZ PHE 5 HZ PHE 5 1.984 5.060 -4.396
46 H LYS 6 H LYS 6 6.549 2.950 -4.762
47 HA LYS 6 HA LYS 6 7.247 4.765 -6.816
48 HB2 LYS 6 2HB LYS 6 7.641 4.840 -3.826
49 HB3 LYS 6 3HB LYS 6 8.093 6.173 -4.881
50 HG2 LYS 6 2HG LYS 6 5.324 5.046 -4.518
51 HG3 LYS 6 3HG LYS 6 5.929 6.577 -3.880
52 HD2 LYS 6 2HD LYS 6 6.459 7.098 -6.374
53 HD3 LYS 6 3HD LYS 6 5.290 5.817 -6.703
54 HE2 LYS 6 2HE LYS 6 4.152 7.935 -6.722
55 HE3 LYS 6 3HE LYS 6 3.643 7.027 -5.299
56 HZ1 LYS 6 3HZ LYS 6 4.582 9.585 -5.318
57 HZ2 LYS 6 1HZ LYS 6 5.912 8.688 -4.778
58 HZ3 LYS 6 2HZ LYS 6 4.437 8.592 -3.956
59 H ARG 7 H ARG 7 9.135 2.695 -4.688
60 HA ARG 7 HA ARG 7 11.653 3.777 -5.608
61 HB2 ARG 7 2HB ARG 7 11.152 2.813 -3.275
62 HB3 ARG 7 3HB ARG 7 11.305 1.235 -4.036
63 HG2 ARG 7 2HG ARG 7 13.580 2.382 -4.891
64 HG3 ARG 7 3HG ARG 7 13.368 3.220 -3.352
65 HD2 ARG 7 2HD ARG 7 12.821 0.447 -2.976
66 HD3 ARG 7 3HD ARG 7 14.364 0.611 -3.813
67 HE ARG 7 HE ARG 7 14.517 2.411 -1.777
68 HH11 ARG 7 1HH1 ARG 7 13.846 -0.999 -1.978
69 HH12 ARG 7 2HH1 ARG 7 14.508 -1.354 -0.417
70 HH21 ARG 7 1HH2 ARG 7 15.392 1.957 0.280
71 HH22 ARG 7 2HH2 ARG 7 15.387 0.328 0.867
72 H GLN 8 H GLN 8 9.605 1.017 -6.270
73 HA GLN 8 HA GLN 8 11.572 -0.364 -7.846
74 HB2 GLN 8 2HB GLN 8 9.288 -1.149 -6.597
75 HB3 GLN 8 3HB GLN 8 8.727 -1.021 -8.260
76 HG2 GLN 8 2HG GLN 8 10.774 -2.443 -8.852
77 HG3 GLN 8 3HG GLN 8 10.852 -2.800 -7.128
78 HE21 GLN 8 1HE2 GLN 8 8.457 -2.688 -9.746
79 HE22 GLN 8 2HE2 GLN 8 7.646 -4.146 -9.296
80 H TYR 9 H TYR 9 9.200 2.080 -8.394
81 HA TYR 9 HA TYR 9 9.091 1.676 -11.255
82 HB2 TYR 9 2HB TYR 9 7.887 3.663 -9.354
83 HB3 TYR 9 3HB TYR 9 7.859 3.963 -11.088
84 HD1 TYR 9 HD2 TYR 9 7.679 0.517 -9.970
85 HD2 TYR 9 HD1 TYR 9 5.381 3.956 -10.967
86 HE1 TYR 9 HE2 TYR 9 5.673 -0.891 -10.178
87 HE2 TYR 9 HE1 TYR 9 3.368 2.558 -11.176
88 HH TYR 9 HH TYR 9 2.790 -0.025 -9.977
89 H LYS 10 H LYS 10 10.742 3.760 -8.972
90 HA LYS 10 HA LYS 10 11.799 5.536 -10.958
91 HB2 LYS 10 2HB LYS 10 12.237 5.112 -8.028
92 HB3 LYS 10 3HB LYS 10 13.396 6.073 -8.938
93 HG2 LYS 10 2HG LYS 10 11.725 7.655 -9.545
94 HG3 LYS 10 3HG LYS 10 10.440 6.628 -8.907
95 HD2 LYS 10 2HD LYS 10 10.884 7.186 -6.742
96 HD3 LYS 10 3HD LYS 10 12.607 7.421 -7.042
97 HE2 LYS 10 2HE LYS 10 10.923 9.336 -8.455
98 HE3 LYS 10 3HE LYS 10 10.734 9.410 -6.704
99 HZ1 LYS 10 3HZ LYS 10 12.472 10.881 -7.284
100 HZ2 LYS 10 1HZ LYS 10 13.234 9.731 -8.263
101 HZ3 LYS 10 2HZ LYS 10 13.214 9.531 -6.583
102 H ASP 11 H ASP 11 12.748 2.505 -9.576
103 HA ASP 11 HA ASP 11 15.508 2.664 -10.327
104 HB2 ASP 11 2HB ASP 11 14.244 1.122 -8.563
105 HB3 ASP 11 3HB ASP 11 14.171 0.028 -9.941
106 H MET 12 H MET 12 12.576 1.346 -11.765
107 HA MET 12 HA MET 12 14.018 0.197 -13.996
108 HB2 MET 12 2HB MET 12 11.904 -0.609 -14.753
109 HB3 MET 12 3HB MET 12 11.942 -0.825 -13.008
110 HG2 MET 12 2HG MET 12 10.653 1.298 -12.794
111 HG3 MET 12 3HG MET 12 10.495 1.312 -14.549
112 HE1 MET 12 3HE MET 12 7.280 0.080 -14.932
113 HE2 MET 12 1HE MET 12 8.737 0.881 -15.521
114 HE3 MET 12 2HE MET 12 8.508 -0.845 -15.799
115 H MET 13 H MET 13 12.769 3.229 -13.170
116 HA MET 13 HA MET 13 12.016 4.124 -15.775
117 HB2 MET 13 2HB MET 13 11.903 5.134 -13.137
118 HB3 MET 13 3HB MET 13 12.832 6.293 -14.079
119 HG2 MET 13 2HG MET 13 10.866 6.015 -15.785
120 HG3 MET 13 3HG MET 13 9.990 5.463 -14.359
121 HE1 MET 13 3HE MET 13 10.934 9.060 -16.183
122 HE2 MET 13 1HE MET 13 9.819 7.728 -16.488
123 HE3 MET 13 2HE MET 13 9.255 9.176 -15.655
124 H SEP 14 H SER 14 15.004 3.758 -14.115
125 HA SEP 14 HA SER 14 16.404 5.558 -15.946
126 HB2 SEP 14 2HB SER 14 17.257 4.087 -13.452
127 HB3 SEP 14 3HB SER 14 18.410 4.912 -14.501
128 H GLU 15 H GLU 15 15.951 2.173 -15.254
129 HA GLU 15 HA GLU 15 18.059 1.371 -17.092
130 HB2 GLU 15 2HB GLU 15 16.140 -0.204 -15.375
131 HB3 GLU 15 3HB GLU 15 17.283 -0.953 -16.481
132 HG2 GLU 15 2HG GLU 15 18.964 0.616 -15.114
133 HG3 GLU 15 3HG GLU 15 17.737 0.353 -13.876
134 H GLY 16 H GLY 16 14.538 1.390 -16.882
135 HA2 GLY 16 2HA GLY 16 12.919 1.116 -18.486
136 HA3 GLY 16 3HA GLY 16 14.153 1.571 -19.652
137 H GLY 17 H GLY 17 14.917 -1.155 -17.742
138 HA2 GLY 17 2HA GLY 17 14.066 -3.427 -18.310
139 HA3 GLY 17 3HA GLY 17 14.162 -2.920 -19.990
140 HA PRO 18 HA PRO 18 18.342 -4.187 -20.348
141 HB2 PRO 18 2HB PRO 18 19.666 -2.061 -21.397
142 HB3 PRO 18 3HB PRO 18 18.511 -3.026 -22.324
143 HG2 PRO 18 2HG PRO 18 18.114 -0.390 -20.962
144 HG3 PRO 18 3HG PRO 18 17.560 -0.917 -22.562
145 HD2 PRO 18 2HD PRO 18 15.932 -0.872 -20.398
146 HD3 PRO 18 3HD PRO 18 15.760 -2.069 -21.697
147 HA PRO 19 HA PRO 19 20.984 -3.041 -17.024
148 HB2 PRO 19 2HB PRO 19 23.474 -3.125 -18.102
149 HB3 PRO 19 3HB PRO 19 22.515 -4.576 -17.785
150 HG2 PRO 19 2HG PRO 19 22.918 -3.094 -20.355
151 HG3 PRO 19 3HG PRO 19 22.916 -4.843 -20.060
152 HD2 PRO 19 2HD PRO 19 20.778 -3.536 -21.087
153 HD3 PRO 19 3HD PRO 19 20.614 -4.965 -20.046
154 H GLY 20 H GLY 20 19.885 -0.775 -17.496
155 HA2 GLY 20 2HA GLY 20 20.194 1.493 -17.263
156 HA3 GLY 20 3HA GLY 20 21.914 1.176 -17.092
157 H ALA 21 H ALA 21 19.775 0.464 -19.827
158 HA ALA 21 HA ALA 21 21.616 1.938 -21.560
159 HB1 ALA 21 1HB ALA 21 20.989 0.575 -23.279
160 HB2 ALA 21 2HB ALA 21 20.683 -0.507 -21.920
161 HB3 ALA 21 3HB ALA 21 19.348 0.370 -22.667
162 H GLU 22 H GLU 22 18.076 1.478 -21.428
163 HA GLU 22 HA GLU 22 17.785 4.290 -22.258
164 HB2 GLU 22 2HB GLU 22 15.613 3.652 -23.204
165 HB3 GLU 22 3HB GLU 22 16.922 2.718 -23.914
166 HG2 GLU 22 2HG GLU 22 16.341 0.916 -22.214
167 HG3 GLU 22 3HG GLU 22 14.858 1.827 -21.931
168 HA PRO 23 HA PRO 23 16.052 4.926 -18.219
169 HB2 PRO 23 2HB PRO 23 15.282 7.498 -18.625
170 HB3 PRO 23 3HB PRO 23 16.963 7.032 -18.338
171 HG2 PRO 23 2HG PRO 23 15.578 7.628 -20.924
172 HG3 PRO 23 3HG PRO 23 17.189 8.128 -20.376
173 HD2 PRO 23 2HD PRO 23 16.807 6.062 -22.084
174 HD3 PRO 23 3HD PRO 23 18.139 6.098 -20.911
175 H GLN 24 H GLN 24 14.313 3.381 -18.735
176 HA GLN 24 HA GLN 24 11.777 4.788 -19.234
177 HB2 GLN 24 2HB GLN 24 12.908 2.801 -20.859
178 HB3 GLN 24 3HB GLN 24 11.631 1.994 -19.958
179 HG2 GLN 24 2HG GLN 24 10.222 4.076 -20.682
180 HG3 GLN 24 3HG GLN 24 11.448 4.203 -21.942
181 HE21 GLN 24 1HE2 GLN 24 10.773 3.344 -23.760
182 HE22 GLN 24 2HE2 GLN 24 9.829 1.907 -23.925
Start of MODEL 2
1 H1 LYS 1 H LYS 1 0.586 0.825 0.406
2 HA LYS 1 HA LYS 1 2.408 -0.764 -1.279
3 HB2 LYS 1 2HB LYS 1 1.186 0.525 -3.194
4 HB3 LYS 1 3HB LYS 1 0.445 -0.909 -2.495
5 HG2 LYS 1 2HG LYS 1 -1.337 0.241 -1.855
6 HG3 LYS 1 3HG LYS 1 -0.339 1.451 -1.044
7 HD2 LYS 1 2HD LYS 1 -1.191 2.828 -2.614
8 HD3 LYS 1 3HD LYS 1 0.073 2.127 -3.627
9 HE2 LYS 1 2HE LYS 1 -1.949 2.034 -4.871
10 HE3 LYS 1 3HE LYS 1 -1.597 0.392 -4.336
11 HZ1 LYS 1 3HZ LYS 1 -3.444 2.206 -2.891
12 HZ2 LYS 1 1HZ LYS 1 -3.236 0.543 -2.657
13 HZ3 LYS 1 2HZ LYS 1 -3.958 1.113 -4.076
14 H LEU 2 H LEU 2 1.356 2.435 -0.262
15 HA LEU 2 HA LEU 2 2.963 4.064 -1.790
16 HB2 LEU 2 2HB LEU 2 1.980 4.263 1.028
17 HB3 LEU 2 3HB LEU 2 3.045 5.503 0.368
18 HG LEU 2 HG LEU 2 1.432 6.187 -1.213
19 HD11 LEU 2 1HD1 LEU 2 0.702 3.985 -1.953
20 HD12 LEU 2 2HD1 LEU 2 -0.680 5.013 -1.576
21 HD13 LEU 2 3HD1 LEU 2 -0.180 3.757 -0.443
22 HD21 LEU 2 3HD2 LEU 2 -0.440 5.624 1.014
23 HD22 LEU 2 1HD2 LEU 2 -0.090 7.137 0.179
24 HD23 LEU 2 2HD2 LEU 2 1.030 6.522 1.395
25 H GLY 3 H GLY 3 5.055 3.736 -2.211
26 HA2 GLY 3 2HA GLY 3 7.289 4.233 -1.319
27 HA3 GLY 3 3HA GLY 3 6.851 3.281 0.092
28 H PHE 4 H PHE 4 5.495 1.310 -1.765
29 HA PHE 4 HA PHE 4 7.860 -0.305 -2.216
30 HB2 PHE 4 2HB PHE 4 6.484 -2.033 -1.843
31 HB3 PHE 4 3HB PHE 4 5.223 -0.857 -1.486
32 HD1 PHE 4 HD2 PHE 4 6.653 -3.018 -4.100
33 HD2 PHE 4 HD1 PHE 4 3.413 -0.498 -2.975
34 HE1 PHE 4 HE2 PHE 4 5.352 -3.839 -6.020
35 HE2 PHE 4 HE1 PHE 4 2.106 -1.316 -4.892
36 HZ PHE 4 HZ PHE 4 3.076 -2.988 -6.419
37 H PHE 5 H PHE 5 5.177 1.011 -4.129
38 HA PHE 5 HA PHE 5 6.304 0.053 -6.605
39 HB2 PHE 5 2HB PHE 5 4.405 1.203 -7.661
40 HB3 PHE 5 3HB PHE 5 3.873 0.177 -6.333
41 HD1 PHE 5 HD2 PHE 5 4.299 3.615 -7.497
42 HD2 PHE 5 HD1 PHE 5 2.975 1.129 -4.306
43 HE1 PHE 5 HE2 PHE 5 3.143 5.536 -6.485
44 HE2 PHE 5 HE1 PHE 5 1.816 3.046 -3.289
45 HZ PHE 5 HZ PHE 5 1.900 5.254 -4.378
46 H LYS 6 H LYS 6 6.363 2.965 -4.721
47 HA LYS 6 HA LYS 6 7.154 4.767 -6.752
48 HB2 LYS 6 2HB LYS 6 7.519 4.803 -3.757
49 HB3 LYS 6 3HB LYS 6 8.031 6.126 -4.797
50 HG2 LYS 6 2HG LYS 6 5.218 5.102 -4.469
51 HG3 LYS 6 3HG LYS 6 5.874 6.604 -3.816
52 HD2 LYS 6 2HD LYS 6 6.446 7.126 -6.298
53 HD3 LYS 6 3HD LYS 6 5.240 5.886 -6.652
54 HE2 LYS 6 2HE LYS 6 3.662 7.167 -5.158
55 HE3 LYS 6 3HE LYS 6 4.858 8.461 -5.138
56 HZ1 LYS 6 3HZ LYS 6 2.988 8.577 -6.852
57 HZ2 LYS 6 1HZ LYS 6 3.837 7.375 -7.686
58 HZ3 LYS 6 2HZ LYS 6 4.565 8.873 -7.390
59 H ARG 7 H ARG 7 8.938 2.607 -4.624
60 HA ARG 7 HA ARG 7 11.505 3.601 -5.506
61 HB2 ARG 7 2HB ARG 7 10.890 2.594 -3.189
62 HB3 ARG 7 3HB ARG 7 11.102 1.042 -3.990
63 HG2 ARG 7 2HG ARG 7 13.318 2.828 -4.511
64 HG3 ARG 7 3HG ARG 7 13.067 2.567 -2.784
65 HD2 ARG 7 2HD ARG 7 13.061 0.126 -3.199
66 HD3 ARG 7 3HD ARG 7 13.426 0.443 -4.894
67 HE ARG 7 HE ARG 7 15.254 0.523 -2.691
68 HH11 ARG 7 1HH1 ARG 7 14.578 1.781 -5.866
69 HH12 ARG 7 2HH1 ARG 7 16.235 2.148 -6.216
70 HH21 ARG 7 1HH2 ARG 7 17.439 1.001 -3.140
71 HH22 ARG 7 2HH2 ARG 7 17.862 1.703 -4.665
72 H GLN 8 H GLN 8 9.362 0.927 -6.216
73 HA GLN 8 HA GLN 8 11.293 -0.513 -7.784
74 HB2 GLN 8 2HB GLN 8 8.979 -1.232 -6.561
75 HB3 GLN 8 3HB GLN 8 8.424 -1.054 -8.220
76 HG2 GLN 8 2HG GLN 8 10.479 -2.529 -8.794
77 HG3 GLN 8 3HG GLN 8 10.414 -2.967 -7.087
78 HE21 GLN 8 1HE2 GLN 8 9.675 -4.163 -9.901
79 HE22 GLN 8 2HE2 GLN 8 8.195 -4.986 -9.563
80 H TYR 9 H TYR 9 9.024 2.025 -8.332
81 HA TYR 9 HA TYR 9 8.924 1.650 -11.197
82 HB2 TYR 9 2HB TYR 9 7.778 3.664 -9.288
83 HB3 TYR 9 3HB TYR 9 7.779 3.981 -11.020
84 HD1 TYR 9 HD1 TYR 9 7.454 0.535 -9.928
85 HD2 TYR 9 HD2 TYR 9 5.305 4.065 -10.938
86 HE1 TYR 9 HE1 TYR 9 5.398 -0.793 -10.168
87 HE2 TYR 9 HE2 TYR 9 3.243 2.747 -11.180
88 HH TYR 9 HH TYR 9 2.979 -0.469 -10.100
89 H LYS 10 H LYS 10 10.633 3.648 -8.881
90 HA LYS 10 HA LYS 10 11.781 5.389 -10.853
91 HB2 LYS 10 2HB LYS 10 11.388 5.971 -8.421
92 HB3 LYS 10 3HB LYS 10 12.753 4.933 -8.031
93 HG2 LYS 10 2HG LYS 10 14.287 6.361 -9.010
94 HG3 LYS 10 3HG LYS 10 13.066 7.148 -10.012
95 HD2 LYS 10 2HD LYS 10 12.061 7.989 -7.818
96 HD3 LYS 10 3HD LYS 10 13.580 7.488 -7.070
97 HE2 LYS 10 2HE LYS 10 14.628 9.303 -7.820
98 HE3 LYS 10 3HE LYS 10 14.064 9.020 -9.465
99 HZ1 LYS 10 3HZ LYS 10 12.448 10.324 -7.343
100 HZ2 LYS 10 1HZ LYS 10 12.034 10.162 -8.976
101 HZ3 LYS 10 2HZ LYS 10 13.324 11.159 -8.526
102 H ASP 11 H ASP 11 12.577 2.320 -9.475
103 HA ASP 11 HA ASP 11 15.361 2.387 -10.179
104 HB2 ASP 11 2HB ASP 11 14.587 0.996 -8.322
105 HB3 ASP 11 3HB ASP 11 13.571 0.067 -9.422
106 H MET 12 H MET 12 12.393 1.215 -11.644
107 HA MET 12 HA MET 12 13.790 -0.084 -13.819
108 HB2 MET 12 2HB MET 12 11.542 -0.570 -14.682
109 HB3 MET 12 3HB MET 12 11.704 -1.048 -12.997
110 HG2 MET 12 2HG MET 12 10.526 0.963 -12.301
111 HG3 MET 12 3HG MET 12 10.387 1.472 -13.982
112 HE1 MET 12 3HE MET 12 10.142 -1.525 -11.846
113 HE2 MET 12 1HE MET 12 8.459 -1.317 -11.361
114 HE3 MET 12 2HE MET 12 8.883 -2.520 -12.579
115 H MET 13 H MET 13 12.431 3.011 -13.128
116 HA MET 13 HA MET 13 12.107 3.841 -15.853
117 HB2 MET 13 2HB MET 13 11.959 5.170 -13.183
118 HB3 MET 13 3HB MET 13 12.132 6.176 -14.615
119 HG2 MET 13 2HG MET 13 10.093 5.393 -15.523
120 HG3 MET 13 3HG MET 13 9.979 4.105 -14.326
121 HE1 MET 13 3HE MET 13 7.393 7.207 -14.363
122 HE2 MET 13 1HE MET 13 8.832 8.187 -14.647
123 HE3 MET 13 2HE MET 13 8.553 6.733 -15.605
124 H SEP 14 H SER 14 14.789 3.281 -13.972
125 HA SEP 14 HA SER 14 16.397 5.394 -15.203
126 HB2 SEP 14 2HB SER 14 18.109 4.841 -13.614
127 HB3 SEP 14 3HB SER 14 16.581 4.900 -12.736
128 H GLU 15 H GLU 15 16.014 1.903 -15.124
129 HA GLU 15 HA GLU 15 18.196 1.586 -17.053
130 HB2 GLU 15 2HB GLU 15 16.798 -0.225 -15.151
131 HB3 GLU 15 3HB GLU 15 17.424 -0.936 -16.632
132 HG2 GLU 15 2HG GLU 15 19.489 -0.938 -15.840
133 HG3 GLU 15 3HG GLU 15 19.395 0.772 -15.425
134 H GLY 16 H GLY 16 14.724 1.179 -16.694
135 HA2 GLY 16 2HA GLY 16 13.066 0.955 -18.268
136 HA3 GLY 16 3HA GLY 16 14.252 1.441 -19.471
137 H GLY 17 H GLY 17 15.251 -1.240 -17.659
138 HA2 GLY 17 2HA GLY 17 14.429 -3.549 -18.165
139 HA3 GLY 17 3HA GLY 17 14.397 -3.037 -19.846
140 HA PRO 18 HA PRO 18 18.599 -4.116 -20.477
141 HB2 PRO 18 2HB PRO 18 19.786 -1.918 -21.540
142 HB3 PRO 18 3HB PRO 18 18.615 -2.901 -22.427
143 HG2 PRO 18 2HG PRO 18 18.204 -0.316 -20.974
144 HG3 PRO 18 3HG PRO 18 17.579 -0.823 -22.554
145 HD2 PRO 18 2HD PRO 18 16.076 -0.891 -20.303
146 HD3 PRO 18 3HD PRO 18 15.873 -2.061 -21.623
147 HA PRO 19 HA PRO 19 21.367 -2.966 -17.260
148 HB2 PRO 19 2HB PRO 19 23.801 -2.984 -18.463
149 HB3 PRO 19 3HB PRO 19 22.888 -4.458 -18.120
150 HG2 PRO 19 2HG PRO 19 23.131 -2.934 -20.685
151 HG3 PRO 19 3HG PRO 19 23.179 -4.686 -20.416
152 HD2 PRO 19 2HD PRO 19 20.967 -3.410 -21.315
153 HD3 PRO 19 3HD PRO 19 20.884 -4.856 -20.288
154 H GLY 20 H GLY 20 20.174 -0.710 -17.737
155 HA2 GLY 20 2HA GLY 20 20.457 1.559 -17.458
156 HA3 GLY 20 3HA GLY 20 22.189 1.277 -17.373
157 H ALA 21 H ALA 21 19.968 0.508 -20.021
158 HA ALA 21 HA ALA 21 21.677 2.063 -21.816
159 HB1 ALA 21 1HB ALA 21 20.853 -0.404 -22.172
160 HB2 ALA 21 2HB ALA 21 19.414 0.397 -22.804
161 HB3 ALA 21 3HB ALA 21 20.989 0.710 -23.534
162 H GLU 22 H GLU 22 18.163 1.478 -21.549
163 HA GLU 22 HA GLU 22 17.741 4.283 -22.342
164 HB2 GLU 22 2HB GLU 22 16.821 2.077 -23.627
165 HB3 GLU 22 3HB GLU 22 15.477 2.398 -22.541
166 HG2 GLU 22 2HG GLU 22 14.888 4.303 -23.603
167 HG3 GLU 22 3HG GLU 22 16.548 4.708 -24.035
168 HA PRO 23 HA PRO 23 16.282 4.601 -18.110
169 HB2 PRO 23 2HB PRO 23 15.991 7.300 -18.166
170 HB3 PRO 23 3HB PRO 23 17.556 6.506 -17.953
171 HG2 PRO 23 2HG PRO 23 16.347 7.676 -20.429
172 HG3 PRO 23 3HG PRO 23 18.011 7.803 -19.830
173 HD2 PRO 23 2HD PRO 23 17.298 6.081 -21.794
174 HD3 PRO 23 3HD PRO 23 18.593 5.723 -20.634
175 H GLN 24 H GLN 24 14.250 3.841 -17.912
176 HA GLN 24 HA GLN 24 12.079 4.910 -19.494
177 HB2 GLN 24 2HB GLN 24 11.915 2.593 -19.159
178 HB3 GLN 24 3HB GLN 24 12.317 2.719 -17.452
179 HG2 GLN 24 2HG GLN 24 10.196 3.205 -16.842
180 HG3 GLN 24 3HG GLN 24 9.848 4.076 -18.335
181 HE21 GLN 24 1HE2 GLN 24 7.820 2.887 -18.211
182 HE22 GLN 24 2HE2 GLN 24 7.748 1.286 -18.856
Start of MODEL 3
1 H1 LYS 1 H LYS 1 0.607 0.633 0.409
2 HA LYS 1 HA LYS 1 2.669 -0.922 -1.013
3 HB2 LYS 1 2HB LYS 1 1.516 0.094 -3.101
4 HB3 LYS 1 3HB LYS 1 0.766 -1.281 -2.300
5 HG2 LYS 1 2HG LYS 1 -1.089 -0.128 -1.948
6 HG3 LYS 1 3HG LYS 1 -0.191 1.158 -1.140
7 HD2 LYS 1 2HD LYS 1 -0.457 2.499 -2.894
8 HD3 LYS 1 3HD LYS 1 0.262 1.296 -3.967
9 HE2 LYS 1 2HE LYS 1 -1.783 0.398 -4.546
10 HE3 LYS 1 3HE LYS 1 -2.566 0.962 -3.070
11 HZ1 LYS 1 3HZ LYS 1 -1.985 2.441 -5.543
12 HZ2 LYS 1 1HZ LYS 1 -2.087 3.285 -4.080
13 HZ3 LYS 1 2HZ LYS 1 -3.411 2.390 -4.634
14 H LEU 2 H LEU 2 1.465 2.223 -0.111
15 HA LEU 2 HA LEU 2 2.939 3.913 -1.709
16 HB2 LEU 2 2HB LEU 2 2.020 4.104 1.132
17 HB3 LEU 2 3HB LEU 2 2.995 5.389 0.423
18 HG LEU 2 HG LEU 2 1.304 5.956 -1.122
19 HD11 LEU 2 1HD1 LEU 2 -0.745 4.659 -1.411
20 HD12 LEU 2 2HD1 LEU 2 -0.146 3.452 -0.274
21 HD13 LEU 2 3HD1 LEU 2 0.683 3.704 -1.810
22 HD21 LEU 2 3HD2 LEU 2 0.954 6.322 1.483
23 HD22 LEU 2 1HD2 LEU 2 -0.462 5.317 1.175
24 HD23 LEU 2 2HD2 LEU 2 -0.247 6.831 0.296
25 H GLY 3 H GLY 3 5.034 3.682 -2.181
26 HA2 GLY 3 2HA GLY 3 7.260 4.314 -1.359
27 HA3 GLY 3 3HA GLY 3 6.909 3.370 0.081
28 H PHE 4 H PHE 4 5.613 1.290 -1.694
29 HA PHE 4 HA PHE 4 8.049 -0.205 -2.181
30 HB2 PHE 4 2HB PHE 4 6.782 -1.994 -1.724
31 HB3 PHE 4 3HB PHE 4 5.467 -0.881 -1.361
32 HD1 PHE 4 HD1 PHE 4 6.949 -3.024 -3.962
33 HD2 PHE 4 HD2 PHE 4 3.600 -0.665 -2.807
34 HE1 PHE 4 HE1 PHE 4 5.647 -3.966 -5.825
35 HE2 PHE 4 HE2 PHE 4 2.292 -1.603 -4.667
36 HZ PHE 4 HZ PHE 4 3.315 -3.257 -6.179
37 H PHE 5 H PHE 5 5.242 0.919 -4.037
38 HA PHE 5 HA PHE 5 6.349 -0.034 -6.527
39 HB2 PHE 5 2HB PHE 5 4.357 0.985 -7.548
40 HB3 PHE 5 3HB PHE 5 3.924 -0.042 -6.185
41 HD1 PHE 5 HD1 PHE 5 4.132 3.395 -7.417
42 HD2 PHE 5 HD2 PHE 5 3.015 0.893 -4.160
43 HE1 PHE 5 HE1 PHE 5 2.896 5.267 -6.406
44 HE2 PHE 5 HE2 PHE 5 1.777 2.761 -3.145
45 HZ PHE 5 HZ PHE 5 1.716 4.951 -4.268
46 H LYS 6 H LYS 6 6.300 2.918 -4.706
47 HA LYS 6 HA LYS 6 6.923 4.716 -6.798
48 HB2 LYS 6 2HB LYS 6 7.375 4.841 -3.817
49 HB3 LYS 6 3HB LYS 6 7.781 6.166 -4.900
50 HG2 LYS 6 2HG LYS 6 5.041 4.993 -4.466
51 HG3 LYS 6 3HG LYS 6 5.630 6.544 -3.862
52 HD2 LYS 6 2HD LYS 6 6.101 7.039 -6.373
53 HD3 LYS 6 3HD LYS 6 4.950 5.732 -6.661
54 HE2 LYS 6 2HE LYS 6 3.610 7.630 -6.671
55 HE3 LYS 6 3HE LYS 6 3.423 7.017 -5.028
56 HZ1 LYS 6 3HZ LYS 6 4.092 9.548 -5.667
57 HZ2 LYS 6 1HZ LYS 6 5.607 8.868 -5.346
58 HZ3 LYS 6 2HZ LYS 6 4.392 8.819 -4.170
59 H ARG 7 H ARG 7 8.892 2.709 -4.683
60 HA ARG 7 HA ARG 7 11.370 3.826 -5.667
61 HB2 ARG 7 2HB ARG 7 10.827 2.780 -3.313
62 HB3 ARG 7 3HB ARG 7 11.234 1.271 -4.119
63 HG2 ARG 7 2HG ARG 7 13.096 3.604 -4.262
64 HG3 ARG 7 3HG ARG 7 13.065 2.565 -2.835
65 HD2 ARG 7 2HD ARG 7 13.234 0.647 -4.616
66 HD3 ARG 7 3HD ARG 7 13.881 1.933 -5.634
67 HE ARG 7 HE ARG 7 15.179 1.902 -3.117
68 HH11 ARG 7 1HH1 ARG 7 15.009 0.192 -6.144
69 HH12 ARG 7 2HH1 ARG 7 16.632 -0.406 -6.048
70 HH21 ARG 7 1HH2 ARG 7 17.318 1.121 -2.978
71 HH22 ARG 7 2HH2 ARG 7 17.944 0.122 -4.245
72 H GLN 8 H GLN 8 9.362 1.021 -6.252
73 HA GLN 8 HA GLN 8 11.324 -0.344 -7.848
74 HB2 GLN 8 2HB GLN 8 9.094 -1.165 -6.537
75 HB3 GLN 8 3HB GLN 8 8.479 -1.057 -8.181
76 HG2 GLN 8 2HG GLN 8 11.031 -2.503 -7.625
77 HG3 GLN 8 3HG GLN 8 9.478 -3.283 -7.328
78 HE21 GLN 8 1HE2 GLN 8 7.910 -2.653 -9.314
79 HE22 GLN 8 2HE2 GLN 8 8.569 -3.104 -10.846
80 H TYR 9 H TYR 9 8.903 2.052 -8.378
81 HA TYR 9 HA TYR 9 8.738 1.603 -11.231
82 HB2 TYR 9 2HB TYR 9 7.533 3.591 -9.331
83 HB3 TYR 9 3HB TYR 9 7.464 3.868 -11.068
84 HD1 TYR 9 HD2 TYR 9 7.375 0.434 -9.903
85 HD2 TYR 9 HD1 TYR 9 4.990 3.814 -10.897
86 HE1 TYR 9 HE2 TYR 9 5.394 -1.016 -10.052
87 HE2 TYR 9 HE1 TYR 9 3.002 2.374 -11.048
88 HH TYR 9 HH TYR 9 2.214 0.235 -10.255
89 H LYS 10 H LYS 10 10.394 3.750 -9.010
90 HA LYS 10 HA LYS 10 11.400 5.476 -11.083
91 HB2 LYS 10 2HB LYS 10 10.979 6.256 -8.756
92 HB3 LYS 10 3HB LYS 10 12.295 5.226 -8.206
93 HG2 LYS 10 2HG LYS 10 13.875 6.656 -8.900
94 HG3 LYS 10 3HG LYS 10 13.001 7.067 -10.378
95 HD2 LYS 10 2HD LYS 10 11.834 8.766 -9.375
96 HD3 LYS 10 3HD LYS 10 11.911 8.021 -7.777
97 HE2 LYS 10 2HE LYS 10 14.516 8.494 -8.156
98 HE3 LYS 10 3HE LYS 10 13.851 9.784 -9.156
99 HZ1 LYS 10 3HZ LYS 10 13.838 10.873 -7.202
100 HZ2 LYS 10 1HZ LYS 10 13.797 9.461 -6.270
101 HZ3 LYS 10 2HZ LYS 10 12.375 10.056 -6.966
102 H ASP 11 H ASP 11 12.351 2.513 -9.625
103 HA ASP 11 HA ASP 11 15.139 2.743 -10.354
104 HB2 ASP 11 2HB ASP 11 14.524 1.475 -8.358
105 HB3 ASP 11 3HB ASP 11 13.543 0.385 -9.332
106 H MET 12 H MET 12 12.209 1.507 -11.735
107 HA MET 12 HA MET 12 13.619 -0.013 -13.775
108 HB2 MET 12 2HB MET 12 11.366 -0.601 -14.578
109 HB3 MET 12 3HB MET 12 11.568 -0.959 -12.868
110 HG2 MET 12 2HG MET 12 10.382 1.116 -12.310
111 HG3 MET 12 3HG MET 12 10.146 1.425 -14.028
112 HE1 MET 12 3HE MET 12 7.561 -0.957 -15.215
113 HE2 MET 12 1HE MET 12 7.549 0.789 -14.967
114 HE3 MET 12 2HE MET 12 8.996 -0.003 -15.591
115 H MET 13 H MET 13 12.104 3.077 -13.349
116 HA MET 13 HA MET 13 11.813 3.663 -16.139
117 HB2 MET 13 2HB MET 13 11.007 5.749 -15.478
118 HB3 MET 13 3HB MET 13 10.549 4.706 -14.139
119 HG2 MET 13 2HG MET 13 11.450 6.318 -12.882
120 HG3 MET 13 3HG MET 13 12.975 5.545 -13.307
121 HE1 MET 13 3HE MET 13 11.863 9.766 -13.925
122 HE2 MET 13 1HE MET 13 10.551 8.675 -14.373
123 HE3 MET 13 2HE MET 13 11.298 8.548 -12.780
124 H SEP 14 H SER 14 14.471 3.398 -14.166
125 HA SEP 14 HA SER 14 16.000 5.488 -15.529
126 HB2 SEP 14 2HB SER 14 17.824 4.572 -13.881
127 HB3 SEP 14 3HB SER 14 16.525 5.594 -13.268
128 H GLU 15 H GLU 15 15.796 1.999 -15.174
129 HA GLU 15 HA GLU 15 18.038 1.644 -17.025
130 HB2 GLU 15 2HB GLU 15 16.606 -0.165 -15.111
131 HB3 GLU 15 3HB GLU 15 17.523 -0.852 -16.444
132 HG2 GLU 15 2HG GLU 15 19.534 -0.201 -15.586
133 HG3 GLU 15 3HG GLU 15 18.846 1.172 -14.722
134 H GLY 16 H GLY 16 14.582 1.087 -16.713
135 HA2 GLY 16 2HA GLY 16 12.979 0.650 -18.299
136 HA3 GLY 16 3HA GLY 16 14.167 1.112 -19.509
137 H GLY 17 H GLY 17 15.257 -1.370 -17.477
138 HA2 GLY 17 2HA GLY 17 14.574 -3.751 -17.829
139 HA3 GLY 17 3HA GLY 17 14.565 -3.366 -19.544
140 HA PRO 18 HA PRO 18 18.834 -4.259 -19.985
141 HB2 PRO 18 2HB PRO 18 19.933 -2.085 -21.184
142 HB3 PRO 18 3HB PRO 18 18.842 -3.195 -22.021
143 HG2 PRO 18 2HG PRO 18 18.253 -0.535 -20.782
144 HG3 PRO 18 3HG PRO 18 17.701 -1.193 -22.333
145 HD2 PRO 18 2HD PRO 18 16.139 -1.174 -20.122
146 HD3 PRO 18 3HD PRO 18 16.037 -2.449 -21.352
147 HA PRO 19 HA PRO 19 21.443 -2.718 -16.797
148 HB2 PRO 19 2HB PRO 19 23.908 -2.693 -17.934
149 HB3 PRO 19 3HB PRO 19 23.065 -4.185 -17.501
150 HG2 PRO 19 2HG PRO 19 23.302 -2.848 -20.169
151 HG3 PRO 19 3HG PRO 19 23.434 -4.570 -19.765
152 HD2 PRO 19 2HD PRO 19 21.184 -3.489 -20.815
153 HD3 PRO 19 3HD PRO 19 21.148 -4.855 -19.681
154 H GLY 20 H GLY 20 20.146 -0.574 -17.476
155 HA2 GLY 20 2HA GLY 20 20.300 1.722 -17.366
156 HA3 GLY 20 3HA GLY 20 22.041 1.543 -17.215
157 H ALA 21 H ALA 21 19.946 0.453 -19.853
158 HA ALA 21 HA ALA 21 21.621 1.962 -21.717
159 HB1 ALA 21 1HB ALA 21 20.947 -0.567 -21.904
160 HB2 ALA 21 2HB ALA 21 19.484 0.099 -22.632
161 HB3 ALA 21 3HB ALA 21 21.060 0.446 -23.343
162 H GLU 22 H GLU 22 18.138 1.198 -21.504
163 HA GLU 22 HA GLU 22 17.589 3.909 -22.516
164 HB2 GLU 22 2HB GLU 22 16.644 1.341 -23.352
165 HB3 GLU 22 3HB GLU 22 15.282 2.272 -22.746
166 HG2 GLU 22 2HG GLU 22 16.927 3.910 -24.431
167 HG3 GLU 22 3HG GLU 22 16.475 2.425 -25.268
168 HA PRO 23 HA PRO 23 15.969 4.451 -18.367
169 HB2 PRO 23 2HB PRO 23 15.519 7.114 -18.638
170 HB3 PRO 23 3HB PRO 23 17.121 6.438 -18.320
171 HG2 PRO 23 2HG PRO 23 15.926 7.342 -20.912
172 HG3 PRO 23 3HG PRO 23 17.558 7.617 -20.277
173 HD2 PRO 23 2HD PRO 23 17.016 5.712 -22.123
174 HD3 PRO 23 3HD PRO 23 18.291 5.523 -20.903
175 H GLN 24 H GLN 24 13.973 3.644 -18.100
176 HA GLN 24 HA GLN 24 11.796 4.429 -19.844
177 HB2 GLN 24 2HB GLN 24 11.745 2.143 -19.330
178 HB3 GLN 24 3HB GLN 24 12.104 2.422 -17.631
179 HG2 GLN 24 2HG GLN 24 9.949 2.821 -17.093
180 HG3 GLN 24 3HG GLN 24 9.585 3.573 -18.646
181 HE21 GLN 24 1HE2 GLN 24 7.625 2.304 -18.532
182 HE22 GLN 24 2HE2 GLN 24 7.649 0.656 -19.050
Start of MODEL 4
1 H1 LYS 1 H LYS 1 0.713 0.713 0.305
2 HA LYS 1 HA LYS 1 2.714 -0.882 -1.158
3 HB2 LYS 1 2HB LYS 1 1.215 0.736 -2.967
4 HB3 LYS 1 3HB LYS 1 1.341 -1.017 -2.911
5 HG2 LYS 1 2HG LYS 1 -0.939 -0.619 -2.757
6 HG3 LYS 1 3HG LYS 1 -0.452 -0.893 -1.083
7 HD2 LYS 1 2HD LYS 1 -1.003 1.191 -0.471
8 HD3 LYS 1 3HD LYS 1 -0.255 1.902 -1.903
9 HE2 LYS 1 2HE LYS 1 -2.213 2.059 -2.968
10 HE3 LYS 1 3HE LYS 1 -2.679 0.418 -2.522
11 HZ1 LYS 1 3HZ LYS 1 -3.896 1.151 -0.816
12 HZ2 LYS 1 1HZ LYS 1 -3.838 2.658 -1.582
13 HZ3 LYS 1 2HZ LYS 1 -2.749 2.299 -0.339
14 H LEU 2 H LEU 2 1.570 2.269 -0.197
15 HA LEU 2 HA LEU 2 3.087 3.964 -1.744
16 HB2 LEU 2 2HB LEU 2 2.168 4.102 1.100
17 HB3 LEU 2 3HB LEU 2 3.174 5.383 0.427
18 HG LEU 2 HG LEU 2 1.499 6.014 -1.120
19 HD11 LEU 2 1HD1 LEU 2 -0.588 4.785 -1.415
20 HD12 LEU 2 2HD1 LEU 2 -0.029 3.554 -0.283
21 HD13 LEU 2 3HD1 LEU 2 0.806 3.783 -1.819
22 HD21 LEU 2 3HD2 LEU 2 -0.279 5.414 1.176
23 HD22 LEU 2 1HD2 LEU 2 -0.004 6.930 0.318
24 HD23 LEU 2 2HD2 LEU 2 1.177 6.357 1.496
25 H GLY 3 H GLY 3 5.177 3.698 -2.220
26 HA2 GLY 3 2HA GLY 3 7.416 4.258 -1.382
27 HA3 GLY 3 3HA GLY 3 7.042 3.287 0.034
28 H PHE 4 H PHE 4 5.704 1.276 -1.781
29 HA PHE 4 HA PHE 4 8.110 -0.252 -2.318
30 HB2 PHE 4 2HB PHE 4 6.817 -2.027 -1.881
31 HB3 PHE 4 3HB PHE 4 5.522 -0.900 -1.488
32 HD1 PHE 4 HD2 PHE 4 6.945 -3.030 -4.130
33 HD2 PHE 4 HD1 PHE 4 3.654 -0.615 -2.924
34 HE1 PHE 4 HE2 PHE 4 5.614 -3.915 -6.000
35 HE2 PHE 4 HE1 PHE 4 2.317 -1.497 -4.791
36 HZ PHE 4 HZ PHE 4 3.297 -3.149 -6.333
37 H PHE 5 H PHE 5 5.307 0.959 -4.123
38 HA PHE 5 HA PHE 5 6.367 0.036 -6.642
39 HB2 PHE 5 2HB PHE 5 4.390 1.129 -7.620
40 HB3 PHE 5 3HB PHE 5 3.949 0.072 -6.283
41 HD1 PHE 5 HD2 PHE 5 4.244 3.547 -7.402
42 HD2 PHE 5 HD1 PHE 5 3.051 0.959 -4.240
43 HE1 PHE 5 HE2 PHE 5 3.057 5.414 -6.326
44 HE2 PHE 5 HE1 PHE 5 1.861 2.822 -3.159
45 HZ PHE 5 HZ PHE 5 1.864 5.053 -4.201
46 H LYS 6 H LYS 6 6.412 2.948 -4.760
47 HA LYS 6 HA LYS 6 7.049 4.777 -6.820
48 HB2 LYS 6 2HB LYS 6 6.596 4.903 -4.064
49 HB3 LYS 6 3HB LYS 6 8.252 5.460 -4.271
50 HG2 LYS 6 2HG LYS 6 6.744 7.335 -4.327
51 HG3 LYS 6 3HG LYS 6 7.468 7.109 -5.920
52 HD2 LYS 6 2HD LYS 6 5.426 5.894 -6.625
53 HD3 LYS 6 3HD LYS 6 4.706 6.255 -5.055
54 HE2 LYS 6 2HE LYS 6 3.867 8.019 -6.205
55 HE3 LYS 6 3HE LYS 6 5.421 8.727 -5.768
56 HZ1 LYS 6 3HZ LYS 6 5.781 9.009 -7.922
57 HZ2 LYS 6 1HZ LYS 6 4.387 8.147 -8.340
58 HZ3 LYS 6 2HZ LYS 6 5.849 7.330 -8.109
59 H ARG 7 H ARG 7 9.005 2.687 -4.770
60 HA ARG 7 HA ARG 7 11.492 3.761 -5.773
61 HB2 ARG 7 2HB ARG 7 11.075 2.780 -3.433
62 HB3 ARG 7 3HB ARG 7 11.182 1.207 -4.212
63 HG2 ARG 7 2HG ARG 7 13.434 2.363 -5.143
64 HG3 ARG 7 3HG ARG 7 13.289 3.151 -3.570
65 HD2 ARG 7 2HD ARG 7 12.726 0.421 -3.166
66 HD3 ARG 7 3HD ARG 7 14.157 0.495 -4.192
67 HE ARG 7 HE ARG 7 14.342 2.277 -1.975
68 HH11 ARG 7 1HH1 ARG 7 14.676 -1.056 -2.925
69 HH12 ARG 7 2HH1 ARG 7 15.799 -1.439 -1.663
70 HH21 ARG 7 1HH2 ARG 7 15.820 1.785 -0.309
71 HH22 ARG 7 2HH2 ARG 7 16.449 0.177 -0.175
72 H GLN 8 H GLN 8 9.411 1.015 -6.386
73 HA GLN 8 HA GLN 8 11.313 -0.357 -8.046
74 HB2 GLN 8 2HB GLN 8 9.064 -1.140 -6.725
75 HB3 GLN 8 3HB GLN 8 8.457 -1.006 -8.370
76 HG2 GLN 8 2HG GLN 8 10.666 -2.385 -8.883
77 HG3 GLN 8 3HG GLN 8 10.418 -2.896 -7.214
78 HE21 GLN 8 1HE2 GLN 8 9.786 -3.662 -10.325
79 HE22 GLN 8 2HE2 GLN 8 8.364 -4.621 -10.115
80 H TYR 9 H TYR 9 8.955 2.115 -8.482
81 HA TYR 9 HA TYR 9 8.723 1.735 -11.340
82 HB2 TYR 9 2HB TYR 9 7.620 3.720 -9.377
83 HB3 TYR 9 3HB TYR 9 7.525 4.034 -11.106
84 HD1 TYR 9 HD2 TYR 9 7.353 0.579 -10.023
85 HD2 TYR 9 HD1 TYR 9 5.052 4.056 -10.870
86 HE1 TYR 9 HE2 TYR 9 5.323 -0.804 -10.160
87 HE2 TYR 9 HE1 TYR 9 3.016 2.683 -11.007
88 HH TYR 9 HH TYR 9 2.293 0.485 -11.285
89 H LYS 10 H LYS 10 10.469 3.803 -9.108
90 HA LYS 10 HA LYS 10 11.500 5.527 -11.168
91 HB2 LYS 10 2HB LYS 10 11.995 5.221 -8.223
92 HB3 LYS 10 3HB LYS 10 13.061 6.219 -9.204
93 HG2 LYS 10 2HG LYS 10 11.203 7.621 -9.860
94 HG3 LYS 10 3HG LYS 10 10.080 6.586 -8.974
95 HD2 LYS 10 2HD LYS 10 10.489 7.684 -7.083
96 HD3 LYS 10 3HD LYS 10 12.224 7.405 -7.250
97 HE2 LYS 10 2HE LYS 10 12.013 9.734 -7.209
98 HE3 LYS 10 3HE LYS 10 12.186 9.343 -8.919
99 HZ1 LYS 10 3HZ LYS 10 9.455 9.337 -8.077
100 HZ2 LYS 10 1HZ LYS 10 10.185 10.167 -9.359
101 HZ3 LYS 10 2HZ LYS 10 10.194 10.834 -7.805
102 H ASP 11 H ASP 11 12.372 2.507 -9.793
103 HA ASP 11 HA ASP 11 15.162 2.666 -10.531
104 HB2 ASP 11 2HB ASP 11 14.334 1.348 -8.563
105 HB3 ASP 11 3HB ASP 11 13.579 0.230 -9.695
106 H MET 12 H MET 12 12.187 1.555 -11.929
107 HA MET 12 HA MET 12 13.542 0.065 -14.027
108 HB2 MET 12 2HB MET 12 11.276 -0.452 -14.826
109 HB3 MET 12 3HB MET 12 11.470 -0.849 -13.124
110 HG2 MET 12 2HG MET 12 10.286 1.154 -12.482
111 HG3 MET 12 3HG MET 12 10.170 1.655 -14.167
112 HE1 MET 12 3HE MET 12 8.511 -2.284 -12.715
113 HE2 MET 12 1HE MET 12 9.866 -1.368 -12.053
114 HE3 MET 12 2HE MET 12 8.222 -1.027 -11.511
115 H MET 13 H MET 13 12.207 3.197 -13.473
116 HA MET 13 HA MET 13 11.875 3.875 -16.247
117 HB2 MET 13 2HB MET 13 11.141 5.962 -15.513
118 HB3 MET 13 3HB MET 13 10.661 4.891 -14.203
119 HG2 MET 13 2HG MET 13 11.616 6.453 -12.916
120 HG3 MET 13 3HG MET 13 13.106 5.618 -13.349
121 HE1 MET 13 3HE MET 13 13.763 9.406 -13.052
122 HE2 MET 13 1HE MET 13 13.646 7.854 -12.221
123 HE3 MET 13 2HE MET 13 14.959 8.146 -13.363
124 H SEP 14 H SER 14 14.537 3.467 -14.302
125 HA SEP 14 HA SER 14 16.122 5.547 -15.619
126 HB2 SEP 14 2HB SER 14 16.486 5.456 -13.255
127 HB3 SEP 14 3HB SER 14 16.707 3.707 -13.293
128 H GLU 15 H GLU 15 15.805 2.059 -15.362
129 HA GLU 15 HA GLU 15 18.010 1.696 -17.261
130 HB2 GLU 15 2HB GLU 15 16.662 -0.067 -15.267
131 HB3 GLU 15 3HB GLU 15 17.393 -0.815 -16.680
132 HG2 GLU 15 2HG GLU 15 19.338 -0.777 -15.639
133 HG3 GLU 15 3HG GLU 15 19.298 0.985 -15.697
134 H GLY 16 H GLY 16 14.558 1.201 -16.858
135 HA2 GLY 16 2HA GLY 16 12.904 0.813 -18.405
136 HA3 GLY 16 3HA GLY 16 14.072 1.244 -19.645
137 H GLY 17 H GLY 17 15.133 -1.271 -17.631
138 HA2 GLY 17 2HA GLY 17 14.377 -3.631 -17.974
139 HA3 GLY 17 3HA GLY 17 14.349 -3.244 -19.688
140 HA PRO 18 HA PRO 18 18.582 -4.258 -20.205
141 HB2 PRO 18 2HB PRO 18 19.720 -2.116 -21.424
142 HB3 PRO 18 3HB PRO 18 18.583 -3.194 -22.242
143 HG2 PRO 18 2HG PRO 18 18.092 -0.519 -20.992
144 HG3 PRO 18 3HG PRO 18 17.494 -1.161 -22.534
145 HD2 PRO 18 2HD PRO 18 15.974 -1.098 -20.294
146 HD3 PRO 18 3HD PRO 18 15.813 -2.370 -21.522
147 HA PRO 19 HA PRO 19 21.291 -2.793 -17.067
148 HB2 PRO 19 2HB PRO 19 23.735 -2.834 -18.249
149 HB3 PRO 19 3HB PRO 19 22.860 -4.303 -17.802
150 HG2 PRO 19 2HG PRO 19 23.083 -2.970 -20.473
151 HG3 PRO 19 3HG PRO 19 23.176 -4.695 -20.072
152 HD2 PRO 19 2HD PRO 19 20.937 -3.552 -21.079
153 HD3 PRO 19 3HD PRO 19 20.885 -4.918 -19.946
154 H GLY 20 H GLY 20 20.040 -0.614 -17.723
155 HA2 GLY 20 2HA GLY 20 20.259 1.677 -17.614
156 HA3 GLY 20 3HA GLY 20 21.998 1.451 -17.496
157 H ALA 21 H ALA 21 19.822 0.424 -20.093
158 HA ALA 21 HA ALA 21 21.506 1.882 -21.990
159 HB1 ALA 21 1HB ALA 21 19.289 0.093 -22.862
160 HB2 ALA 21 2HB ALA 21 20.862 0.387 -23.605
161 HB3 ALA 21 3HB ALA 21 20.743 -0.623 -22.165
162 H GLU 22 H GLU 22 18.005 1.234 -21.702
163 HA GLU 22 HA GLU 22 17.524 3.962 -22.704
164 HB2 GLU 22 2HB GLU 22 16.593 1.527 -23.687
165 HB3 GLU 22 3HB GLU 22 15.222 2.192 -22.810
166 HG2 GLU 22 2HG GLU 22 15.199 2.814 -25.172
167 HG3 GLU 22 3HG GLU 22 15.322 4.221 -24.117
168 HA PRO 23 HA PRO 23 16.026 4.539 -18.510
169 HB2 PRO 23 2HB PRO 23 15.712 7.225 -18.746
170 HB3 PRO 23 3HB PRO 23 17.282 6.463 -18.463
171 HG2 PRO 23 2HG PRO 23 16.092 7.457 -21.024
172 HG3 PRO 23 3HG PRO 23 17.748 7.638 -20.415
173 HD2 PRO 23 2HD PRO 23 17.073 5.785 -22.271
174 HD3 PRO 23 3HD PRO 23 18.358 5.516 -21.075
175 H GLN 24 H GLN 24 13.995 3.840 -18.211
176 HA GLN 24 HA GLN 24 11.833 4.762 -19.908
177 HB2 GLN 24 2HB GLN 24 12.228 2.594 -17.935
178 HB3 GLN 24 3HB GLN 24 10.598 3.242 -18.047
179 HG2 GLN 24 2HG GLN 24 12.176 2.233 -20.400
180 HG3 GLN 24 3HG GLN 24 11.027 1.260 -19.483
181 HE21 GLN 24 1HE2 GLN 24 11.155 2.351 -22.313
182 HE22 GLN 24 2HE2 GLN 24 9.602 3.069 -22.552
Start of MODEL 5
1 H1 LYS 1 H LYS 1 0.918 0.391 0.512
2 HA LYS 1 HA LYS 1 2.665 -1.153 -1.291
3 HB2 LYS 1 2HB LYS 1 1.448 0.272 -3.111
4 HB3 LYS 1 3HB LYS 1 0.677 -1.175 -2.475
5 HG2 LYS 1 2HG LYS 1 -1.059 -0.012 -1.743
6 HG3 LYS 1 3HG LYS 1 -0.013 1.121 -0.884
7 HD2 LYS 1 2HD LYS 1 -0.863 2.603 -2.361
8 HD3 LYS 1 3HD LYS 1 0.380 1.939 -3.424
9 HE2 LYS 1 2HE LYS 1 -1.480 0.195 -4.010
10 HE3 LYS 1 3HE LYS 1 -2.565 1.441 -3.394
11 HZ1 LYS 1 3HZ LYS 1 -1.449 2.996 -4.980
12 HZ2 LYS 1 1HZ LYS 1 -2.362 1.774 -5.710
13 HZ3 LYS 1 2HZ LYS 1 -0.676 1.658 -5.667
14 H LEU 2 H LEU 2 1.718 2.016 -0.089
15 HA LEU 2 HA LEU 2 3.349 3.679 -1.554
16 HB2 LEU 2 2HB LEU 2 2.412 3.755 1.286
17 HB3 LEU 2 3HB LEU 2 3.503 4.998 0.676
18 HG LEU 2 HG LEU 2 1.889 5.808 -0.844
19 HD11 LEU 2 1HD1 LEU 2 1.082 3.669 -1.681
20 HD12 LEU 2 2HD1 LEU 2 -0.263 4.717 -1.231
21 HD13 LEU 2 3HD1 LEU 2 0.216 3.391 -0.170
22 HD21 LEU 2 3HD2 LEU 2 0.038 5.184 1.388
23 HD22 LEU 2 1HD2 LEU 2 0.412 6.727 0.620
24 HD23 LEU 2 2HD2 LEU 2 1.538 6.026 1.782
25 H GLY 3 H GLY 3 5.424 3.316 -2.026
26 HA2 GLY 3 2HA GLY 3 7.684 3.705 -1.145
27 HA3 GLY 3 3HA GLY 3 7.240 2.690 0.220
28 H PHE 4 H PHE 4 5.803 0.859 -1.717
29 HA PHE 4 HA PHE 4 8.114 -0.792 -2.293
30 HB2 PHE 4 2HB PHE 4 6.698 -2.500 -1.989
31 HB3 PHE 4 3HB PHE 4 5.476 -1.312 -1.547
32 HD1 PHE 4 HD1 PHE 4 6.802 -3.368 -4.297
33 HD2 PHE 4 HD2 PHE 4 3.654 -0.822 -2.984
34 HE1 PHE 4 HE1 PHE 4 5.448 -4.049 -6.236
35 HE2 PHE 4 HE2 PHE 4 2.294 -1.499 -4.920
36 HZ PHE 4 HZ PHE 4 3.190 -3.115 -6.548
37 H PHE 5 H PHE 5 5.440 0.697 -4.086
38 HA PHE 5 HA PHE 5 6.501 -0.158 -6.629
39 HB2 PHE 5 2HB PHE 5 4.618 1.097 -7.590
40 HB3 PHE 5 3HB PHE 5 4.079 0.018 -6.308
41 HD1 PHE 5 HD2 PHE 5 4.572 3.497 -7.304
42 HD2 PHE 5 HD1 PHE 5 3.249 0.887 -4.214
43 HE1 PHE 5 HE2 PHE 5 3.486 5.393 -6.173
44 HE2 PHE 5 HE1 PHE 5 2.160 2.778 -3.078
45 HZ PHE 5 HZ PHE 5 2.279 5.035 -4.057
46 H LYS 6 H LYS 6 6.677 2.643 -4.591
47 HA LYS 6 HA LYS 6 7.479 4.534 -6.535
48 HB2 LYS 6 2HB LYS 6 7.927 4.397 -3.552
49 HB3 LYS 6 3HB LYS 6 8.417 5.769 -4.538
50 HG2 LYS 6 2HG LYS 6 5.604 4.753 -4.184
51 HG3 LYS 6 3HG LYS 6 6.297 6.200 -3.447
52 HD2 LYS 6 2HD LYS 6 5.904 5.704 -6.398
53 HD3 LYS 6 3HD LYS 6 4.957 6.796 -5.385
54 HE2 LYS 6 2HE LYS 6 7.456 7.702 -4.895
55 HE3 LYS 6 3HE LYS 6 7.641 7.132 -6.553
56 HZ1 LYS 6 3HZ LYS 6 5.562 9.037 -5.621
57 HZ2 LYS 6 1HZ LYS 6 5.792 8.517 -7.215
58 HZ3 LYS 6 2HZ LYS 6 6.971 9.461 -6.455
59 H ARG 7 H ARG 7 9.245 2.214 -4.562
60 HA ARG 7 HA ARG 7 11.820 3.183 -5.447
61 HB2 ARG 7 2HB ARG 7 10.820 1.282 -3.461
62 HB3 ARG 7 3HB ARG 7 12.262 0.717 -4.294
63 HG2 ARG 7 2HG ARG 7 12.985 1.851 -2.350
64 HG3 ARG 7 3HG ARG 7 13.336 2.909 -3.718
65 HD2 ARG 7 2HD ARG 7 11.921 4.495 -3.001
66 HD3 ARG 7 3HD ARG 7 10.686 3.319 -2.552
67 HE ARG 7 HE ARG 7 12.649 3.073 -0.650
68 HH11 ARG 7 1HH1 ARG 7 10.612 5.637 -1.830
69 HH12 ARG 7 2HH1 ARG 7 10.566 6.475 -0.314
70 HH21 ARG 7 1HH2 ARG 7 12.596 4.166 1.351
71 HH22 ARG 7 2HH2 ARG 7 11.696 5.638 1.495
72 H GLN 8 H GLN 8 9.589 0.609 -6.250
73 HA GLN 8 HA GLN 8 11.445 -0.798 -7.932
74 HB2 GLN 8 2HB GLN 8 9.132 -1.513 -6.704
75 HB3 GLN 8 3HB GLN 8 8.555 -1.231 -8.341
76 HG2 GLN 8 2HG GLN 8 9.082 -3.514 -8.224
77 HG3 GLN 8 3HG GLN 8 10.397 -2.761 -9.126
78 HE21 GLN 8 1HE2 GLN 8 11.026 -5.102 -8.227
79 HE22 GLN 8 2HE2 GLN 8 12.015 -5.040 -6.812
80 H TYR 9 H TYR 9 9.241 1.829 -8.300
81 HA TYR 9 HA TYR 9 9.079 1.612 -11.178
82 HB2 TYR 9 2HB TYR 9 8.033 3.555 -9.143
83 HB3 TYR 9 3HB TYR 9 8.013 3.965 -10.854
84 HD1 TYR 9 HD2 TYR 9 7.593 0.479 -9.922
85 HD2 TYR 9 HD1 TYR 9 5.548 4.121 -10.735
86 HE1 TYR 9 HE2 TYR 9 5.491 -0.769 -10.194
87 HE2 TYR 9 HE1 TYR 9 3.440 2.883 -11.007
88 HH TYR 9 HH TYR 9 3.338 -0.552 -11.200
89 H LYS 10 H LYS 10 10.883 3.445 -8.795
90 HA LYS 10 HA LYS 10 12.039 5.269 -10.669
91 HB2 LYS 10 2HB LYS 10 12.486 4.599 -7.791
92 HB3 LYS 10 3HB LYS 10 13.717 5.516 -8.648
93 HG2 LYS 10 2HG LYS 10 10.922 6.454 -8.897
94 HG3 LYS 10 3HG LYS 10 11.716 6.669 -7.335
95 HD2 LYS 10 2HD LYS 10 13.477 7.943 -8.326
96 HD3 LYS 10 3HD LYS 10 12.919 7.553 -9.954
97 HE2 LYS 10 2HE LYS 10 11.945 9.585 -9.801
98 HE3 LYS 10 3HE LYS 10 10.689 8.677 -8.961
99 HZ1 LYS 10 3HZ LYS 10 12.435 9.263 -6.983
100 HZ2 LYS 10 1HZ LYS 10 11.026 10.134 -7.325
101 HZ3 LYS 10 2HZ LYS 10 12.512 10.654 -7.943
102 H ASP 11 H ASP 11 12.820 2.095 -9.500
103 HA ASP 11 HA ASP 11 15.559 2.106 -10.309
104 HB2 ASP 11 2HB ASP 11 13.712 0.250 -9.064
105 HB3 ASP 11 3HB ASP 11 14.693 -0.553 -10.286
106 H MET 12 H MET 12 12.533 1.025 -11.779
107 HA MET 12 HA MET 12 13.860 0.006 -14.129
108 HB2 MET 12 2HB MET 12 11.322 -0.304 -12.941
109 HB3 MET 12 3HB MET 12 11.041 0.431 -14.513
110 HG2 MET 12 2HG MET 12 12.333 -1.364 -15.570
111 HG3 MET 12 3HG MET 12 12.568 -2.108 -13.990
112 HE1 MET 12 3HE MET 12 9.640 -3.113 -16.930
113 HE2 MET 12 1HE MET 12 9.340 -1.391 -16.691
114 HE3 MET 12 2HE MET 12 10.974 -1.962 -17.027
115 H MET 13 H MET 13 12.844 3.042 -13.043
116 HA MET 13 HA MET 13 12.124 4.199 -15.550
117 HB2 MET 13 2HB MET 13 12.116 4.996 -12.843
118 HB3 MET 13 3HB MET 13 13.134 6.150 -13.695
119 HG2 MET 13 2HG MET 13 11.139 6.175 -15.395
120 HG3 MET 13 3HG MET 13 10.232 5.591 -14.002
121 HE1 MET 13 3HE MET 13 8.606 7.884 -13.876
122 HE2 MET 13 1HE MET 13 9.133 6.923 -12.494
123 HE3 MET 13 2HE MET 13 9.167 8.684 -12.407
124 H SEP 14 H SER 14 15.104 3.497 -13.977
125 HA SEP 14 HA SER 14 16.602 5.317 -15.708
126 HB2 SEP 14 2HB SER 14 17.395 3.617 -13.342
127 HB3 SEP 14 3HB SER 14 18.577 4.456 -14.347
128 H GLU 15 H GLU 15 15.914 1.935 -15.240
129 HA GLU 15 HA GLU 15 17.941 1.112 -17.159
130 HB2 GLU 15 2HB GLU 15 16.151 -0.261 -15.230
131 HB3 GLU 15 3HB GLU 15 16.595 -1.160 -16.675
132 HG2 GLU 15 2HG GLU 15 18.565 -1.652 -15.811
133 HG3 GLU 15 3HG GLU 15 18.931 0.057 -15.584
134 H GLY 16 H GLY 16 14.433 1.374 -16.899
135 HA2 GLY 16 2HA GLY 16 12.785 1.331 -18.494
136 HA3 GLY 16 3HA GLY 16 14.039 1.770 -19.644
137 H GLY 17 H GLY 17 14.618 -1.127 -17.933
138 HA2 GLY 17 2HA GLY 17 13.592 -3.287 -18.636
139 HA3 GLY 17 3HA GLY 17 13.706 -2.676 -20.280
140 HA PRO 18 HA PRO 18 17.777 -4.217 -20.791
141 HB2 PRO 18 2HB PRO 18 19.244 -2.128 -21.713
142 HB3 PRO 18 3HB PRO 18 18.011 -2.938 -22.685
143 HG2 PRO 18 2HG PRO 18 17.827 -0.381 -21.139
144 HG3 PRO 18 3HG PRO 18 17.217 -0.754 -22.762
145 HD2 PRO 18 2HD PRO 18 15.621 -0.738 -20.575
146 HD3 PRO 18 3HD PRO 18 15.346 -1.827 -21.951
147 HA PRO 19 HA PRO 19 20.533 -3.504 -17.439
148 HB2 PRO 19 2HB PRO 19 22.998 -3.695 -18.559
149 HB3 PRO 19 3HB PRO 19 21.937 -5.090 -18.328
150 HG2 PRO 19 2HG PRO 19 22.421 -3.466 -20.796
151 HG3 PRO 19 3HG PRO 19 22.293 -5.226 -20.622
152 HD2 PRO 19 2HD PRO 19 20.247 -3.698 -21.523
153 HD3 PRO 19 3HD PRO 19 19.988 -5.180 -20.580
154 H GLY 20 H GLY 20 19.601 -1.135 -17.734
155 HA2 GLY 20 2HA GLY 20 20.080 1.082 -17.352
156 HA3 GLY 20 3HA GLY 20 21.773 0.628 -17.230
157 H ALA 21 H ALA 21 19.560 0.266 -19.974
158 HA ALA 21 HA ALA 21 21.486 1.718 -21.630
159 HB1 ALA 21 1HB ALA 21 19.094 0.403 -22.805
160 HB2 ALA 21 2HB ALA 21 20.740 0.528 -23.429
161 HB3 ALA 21 3HB ALA 21 20.369 -0.621 -22.142
162 H GLU 22 H GLU 22 17.923 1.513 -21.475
163 HA GLU 22 HA GLU 22 17.836 4.390 -22.102
164 HB2 GLU 22 2HB GLU 22 16.604 2.231 -23.397
165 HB3 GLU 22 3HB GLU 22 15.318 3.021 -22.496
166 HG2 GLU 22 2HG GLU 22 16.372 5.188 -23.562
167 HG3 GLU 22 3HG GLU 22 16.947 4.030 -24.761
168 HA PRO 23 HA PRO 23 16.192 4.860 -18.003
169 HB2 PRO 23 2HB PRO 23 15.618 7.506 -18.213
170 HB3 PRO 23 3HB PRO 23 17.260 6.894 -17.983
171 HG2 PRO 23 2HG PRO 23 15.903 7.780 -20.501
172 HG3 PRO 23 3HG PRO 23 17.552 8.115 -19.941
173 HD2 PRO 23 2HD PRO 23 16.999 6.213 -21.787
174 HD3 PRO 23 3HD PRO 23 18.340 6.063 -20.633
175 H GLN 24 H GLN 24 14.335 3.494 -18.597
176 HA GLN 24 HA GLN 24 11.910 5.121 -18.965
177 HB2 GLN 24 2HB GLN 24 12.873 3.158 -20.729
178 HB3 GLN 24 3HB GLN 24 11.532 2.408 -19.874
179 HG2 GLN 24 2HG GLN 24 10.260 4.581 -20.452
180 HG3 GLN 24 3HG GLN 24 11.531 4.807 -21.653
181 HE21 GLN 24 1HE2 GLN 24 8.512 3.905 -21.459
182 HE22 GLN 24 2HE2 GLN 24 8.443 2.648 -22.642
Start of MODEL 6
1 H1 LYS 1 H LYS 1 0.766 0.452 0.501
2 HA LYS 1 HA LYS 1 2.668 -1.029 -1.194
3 HB2 LYS 1 2HB LYS 1 1.359 0.182 -3.101
4 HB3 LYS 1 3HB LYS 1 0.702 -1.285 -2.388
5 HG2 LYS 1 2HG LYS 1 -1.131 -0.230 -1.731
6 HG3 LYS 1 3HG LYS 1 -0.191 1.038 -0.941
7 HD2 LYS 1 2HD LYS 1 -1.138 2.354 -2.511
8 HD3 LYS 1 3HD LYS 1 0.154 1.719 -3.532
9 HE2 LYS 1 2HE LYS 1 -1.382 0.889 -4.903
10 HE3 LYS 1 3HE LYS 1 -1.938 -0.166 -3.605
11 HZ1 LYS 1 3HZ LYS 1 -2.885 2.598 -3.596
12 HZ2 LYS 1 1HZ LYS 1 -3.681 1.180 -3.128
13 HZ3 LYS 1 2HZ LYS 1 -3.528 1.561 -4.769
14 H LEU 2 H LEU 2 1.446 2.109 -0.176
15 HA LEU 2 HA LEU 2 2.947 3.821 -1.720
16 HB2 LEU 2 2HB LEU 2 1.977 3.973 1.105
17 HB3 LEU 2 3HB LEU 2 2.965 5.268 0.434
18 HG LEU 2 HG LEU 2 1.304 5.857 -1.136
19 HD11 LEU 2 1HD1 LEU 2 0.694 3.618 -1.868
20 HD12 LEU 2 2HD1 LEU 2 -0.742 4.564 -1.479
21 HD13 LEU 2 3HD1 LEU 2 -0.160 3.340 -0.350
22 HD21 LEU 2 3HD2 LEU 2 0.903 6.179 1.471
23 HD22 LEU 2 1HD2 LEU 2 -0.513 5.190 1.112
24 HD23 LEU 2 2HD2 LEU 2 -0.266 6.718 0.265
25 H GLY 3 H GLY 3 5.051 3.610 -2.157
26 HA2 GLY 3 2HA GLY 3 7.260 4.235 -1.285
27 HA3 GLY 3 3HA GLY 3 6.887 3.263 0.132
28 H PHE 4 H PHE 4 5.630 1.214 -1.710
29 HA PHE 4 HA PHE 4 8.078 -0.266 -2.176
30 HB2 PHE 4 2HB PHE 4 6.804 -2.068 -1.786
31 HB3 PHE 4 3HB PHE 4 5.482 -0.964 -1.423
32 HD1 PHE 4 HD2 PHE 4 7.012 -3.049 -4.043
33 HD2 PHE 4 HD1 PHE 4 3.644 -0.712 -2.898
34 HE1 PHE 4 HE2 PHE 4 5.744 -3.948 -5.950
35 HE2 PHE 4 HE1 PHE 4 2.370 -1.608 -4.804
36 HZ PHE 4 HZ PHE 4 3.421 -3.227 -6.333
37 H PHE 5 H PHE 5 5.310 0.891 -4.069
38 HA PHE 5 HA PHE 5 6.470 -0.010 -6.553
39 HB2 PHE 5 2HB PHE 5 4.501 1.028 -7.596
40 HB3 PHE 5 3HB PHE 5 4.038 -0.022 -6.261
41 HD1 PHE 5 HD1 PHE 5 4.263 3.431 -7.436
42 HD2 PHE 5 HD2 PHE 5 3.102 0.883 -4.231
43 HE1 PHE 5 HE1 PHE 5 3.009 5.288 -6.420
44 HE2 PHE 5 HE2 PHE 5 1.845 2.735 -3.210
45 HZ PHE 5 HZ PHE 5 1.796 4.941 -4.304
46 H LYS 6 H LYS 6 6.380 2.906 -4.676
47 HA LYS 6 HA LYS 6 7.052 4.744 -6.718
48 HB2 LYS 6 2HB LYS 6 7.435 4.811 -3.726
49 HB3 LYS 6 3HB LYS 6 7.864 6.157 -4.773
50 HG2 LYS 6 2HG LYS 6 5.116 4.976 -4.424
51 HG3 LYS 6 3HG LYS 6 5.690 6.515 -3.778
52 HD2 LYS 6 2HD LYS 6 6.217 7.060 -6.266
53 HD3 LYS 6 3HD LYS 6 5.078 5.756 -6.608
54 HE2 LYS 6 2HE LYS 6 3.441 6.951 -5.111
55 HE3 LYS 6 3HE LYS 6 4.566 8.308 -5.093
56 HZ1 LYS 6 3HZ LYS 6 3.750 8.983 -7.021
57 HZ2 LYS 6 1HZ LYS 6 2.633 7.713 -7.008
58 HZ3 LYS 6 2HZ LYS 6 4.137 7.507 -7.751
59 H ARG 7 H ARG 7 8.970 2.692 -4.600
60 HA ARG 7 HA ARG 7 11.471 3.828 -5.502
61 HB2 ARG 7 2HB ARG 7 11.022 2.876 -3.176
62 HB3 ARG 7 3HB ARG 7 11.118 1.286 -3.922
63 HG2 ARG 7 2HG ARG 7 13.397 2.716 -4.758
64 HG3 ARG 7 3HG ARG 7 13.224 2.981 -3.022
65 HD2 ARG 7 2HD ARG 7 12.851 0.427 -2.907
66 HD3 ARG 7 3HD ARG 7 13.569 0.408 -4.517
67 HE ARG 7 HE ARG 7 14.923 0.832 -2.022
68 HH11 ARG 7 1HH1 ARG 7 15.004 1.438 -5.449
69 HH12 ARG 7 2HH1 ARG 7 16.723 1.643 -5.504
70 HH21 ARG 7 1HH2 ARG 7 17.187 1.099 -2.082
71 HH22 ARG 7 2HH2 ARG 7 17.964 1.448 -3.589
72 H GLN 8 H GLN 8 9.477 1.037 -6.190
73 HA GLN 8 HA GLN 8 11.476 -0.297 -7.767
74 HB2 GLN 8 2HB GLN 8 9.216 -1.144 -6.525
75 HB3 GLN 8 3HB GLN 8 8.639 -1.001 -8.180
76 HG2 GLN 8 2HG GLN 8 9.828 -2.765 -8.889
77 HG3 GLN 8 3HG GLN 8 11.215 -2.373 -7.874
78 HE21 GLN 8 1HE2 GLN 8 9.182 -4.738 -8.431
79 HE22 GLN 8 2HE2 GLN 8 8.981 -5.402 -6.849
80 H TYR 9 H TYR 9 9.062 2.106 -8.305
81 HA TYR 9 HA TYR 9 8.963 1.716 -11.169
82 HB2 TYR 9 2HB TYR 9 7.719 3.669 -9.258
83 HB3 TYR 9 3HB TYR 9 7.688 3.980 -10.990
84 HD1 TYR 9 HD1 TYR 9 7.569 0.524 -9.888
85 HD2 TYR 9 HD2 TYR 9 5.213 3.924 -10.885
86 HE1 TYR 9 HE1 TYR 9 5.590 -0.919 -10.108
87 HE2 TYR 9 HE2 TYR 9 3.227 2.490 -11.107
88 HH TYR 9 HH TYR 9 2.728 0.096 -11.568
89 H LYS 10 H LYS 10 10.574 3.814 -8.871
90 HA LYS 10 HA LYS 10 11.602 5.618 -10.849
91 HB2 LYS 10 2HB LYS 10 11.211 6.141 -8.391
92 HB3 LYS 10 3HB LYS 10 12.666 5.212 -8.055
93 HG2 LYS 10 2HG LYS 10 14.019 6.741 -9.279
94 HG3 LYS 10 3HG LYS 10 12.599 7.585 -9.902
95 HD2 LYS 10 2HD LYS 10 12.144 7.816 -7.264
96 HD3 LYS 10 3HD LYS 10 13.908 7.756 -7.257
97 HE2 LYS 10 2HE LYS 10 13.743 9.533 -9.125
98 HE3 LYS 10 3HE LYS 10 12.089 9.752 -8.557
99 HZ1 LYS 10 3HZ LYS 10 14.601 10.472 -7.279
100 HZ2 LYS 10 1HZ LYS 10 13.392 9.876 -6.257
101 HZ3 LYS 10 2HZ LYS 10 13.094 11.238 -7.214
102 H ASP 11 H ASP 11 12.599 2.602 -9.471
103 HA ASP 11 HA ASP 11 15.358 2.826 -10.239
104 HB2 ASP 11 2HB ASP 11 14.791 1.409 -8.365
105 HB3 ASP 11 3HB ASP 11 13.694 0.459 -9.363
106 H MET 12 H MET 12 12.450 1.363 -11.590
107 HA MET 12 HA MET 12 13.893 0.210 -13.816
108 HB2 MET 12 2HB MET 12 11.805 -0.698 -14.509
109 HB3 MET 12 3HB MET 12 11.859 -0.842 -12.757
110 HG2 MET 12 2HG MET 12 10.498 1.235 -12.612
111 HG3 MET 12 3HG MET 12 10.341 1.193 -14.367
112 HE1 MET 12 3HE MET 12 7.276 0.234 -14.701
113 HE2 MET 12 1HE MET 12 8.837 0.407 -15.503
114 HE3 MET 12 2HE MET 12 8.077 -1.180 -15.389
115 H MET 13 H MET 13 12.574 3.223 -13.049
116 HA MET 13 HA MET 13 11.731 4.027 -15.653
117 HB2 MET 13 2HB MET 13 10.796 5.562 -14.316
118 HB3 MET 13 3HB MET 13 11.913 5.207 -13.006
119 HG2 MET 13 2HG MET 13 13.535 6.720 -13.882
120 HG3 MET 13 3HG MET 13 12.598 6.950 -15.356
121 HE1 MET 13 3HE MET 13 12.858 9.153 -11.714
122 HE2 MET 13 1HE MET 13 13.956 8.474 -12.917
123 HE3 MET 13 2HE MET 13 13.146 10.009 -13.229
124 H SEP 14 H SER 14 14.773 3.843 -14.032
125 HA SEP 14 HA SER 14 16.070 5.578 -15.996
126 HB2 SEP 14 2HB SER 14 17.129 4.224 -13.505
127 HB3 SEP 14 3HB SER 14 18.103 5.226 -14.581
128 H GLU 15 H GLU 15 15.735 2.227 -15.118
129 HA GLU 15 HA GLU 15 17.853 1.387 -16.926
130 HB2 GLU 15 2HB GLU 15 16.011 -0.087 -15.054
131 HB3 GLU 15 3HB GLU 15 17.036 -0.934 -16.204
132 HG2 GLU 15 2HG GLU 15 18.986 0.299 -15.175
133 HG3 GLU 15 3HG GLU 15 17.876 0.793 -13.898
134 H GLY 16 H GLY 16 14.334 1.342 -16.710
135 HA2 GLY 16 2HA GLY 16 12.720 0.955 -18.296
136 HA3 GLY 16 3HA GLY 16 13.947 1.364 -19.486
137 H GLY 17 H GLY 17 14.771 -1.234 -17.435
138 HA2 GLY 17 2HA GLY 17 13.959 -3.551 -17.866
139 HA3 GLY 17 3HA GLY 17 14.030 -3.138 -19.573
140 HA PRO 18 HA PRO 18 18.233 -4.338 -19.901
141 HB2 PRO 18 2HB PRO 18 19.508 -2.246 -21.070
142 HB3 PRO 18 3HB PRO 18 18.365 -3.280 -21.936
143 HG2 PRO 18 2HG PRO 18 17.927 -0.584 -20.710
144 HG3 PRO 18 3HG PRO 18 17.372 -1.205 -22.275
145 HD2 PRO 18 2HD PRO 18 15.759 -1.076 -20.104
146 HD3 PRO 18 3HD PRO 18 15.601 -2.343 -21.337
147 HA PRO 19 HA PRO 19 20.877 -2.970 -16.664
148 HB2 PRO 19 2HB PRO 19 23.361 -3.062 -17.757
149 HB3 PRO 19 3HB PRO 19 22.432 -4.512 -17.357
150 HG2 PRO 19 2HG PRO 19 22.787 -3.160 -20.004
151 HG3 PRO 19 3HG PRO 19 22.821 -4.890 -19.619
152 HD2 PRO 19 2HD PRO 19 20.651 -3.681 -20.694
153 HD3 PRO 19 3HD PRO 19 20.523 -5.056 -19.578
154 H GLY 20 H GLY 20 19.732 -0.753 -17.239
155 HA2 GLY 20 2HA GLY 20 19.998 1.530 -17.128
156 HA3 GLY 20 3HA GLY 20 21.725 1.254 -16.956
157 H ALA 21 H ALA 21 19.579 0.358 -19.632
158 HA ALA 21 HA ALA 21 21.376 1.776 -21.456
159 HB1 ALA 21 1HB ALA 21 19.128 0.112 -22.459
160 HB2 ALA 21 2HB ALA 21 20.762 0.312 -23.094
161 HB3 ALA 21 3HB ALA 21 20.485 -0.702 -21.678
162 H GLU 22 H GLU 22 17.847 1.258 -21.263
163 HA GLU 22 HA GLU 22 17.495 4.016 -22.237
164 HB2 GLU 22 2HB GLU 22 16.518 1.651 -23.309
165 HB3 GLU 22 3HB GLU 22 15.144 2.303 -22.427
166 HG2 GLU 22 2HG GLU 22 14.840 3.260 -24.477
167 HG3 GLU 22 3HG GLU 22 15.767 4.516 -23.658
168 HA PRO 23 HA PRO 23 15.791 4.831 -18.218
169 HB2 PRO 23 2HB PRO 23 14.978 7.366 -18.746
170 HB3 PRO 23 3HB PRO 23 16.668 6.942 -18.452
171 HG2 PRO 23 2HG PRO 23 15.250 7.384 -21.052
172 HG3 PRO 23 3HG PRO 23 16.858 7.936 -20.546
173 HD2 PRO 23 2HD PRO 23 16.494 5.779 -22.143
174 HD3 PRO 23 3HD PRO 23 17.835 5.895 -20.986
175 H GLN 24 H GLN 24 14.073 3.232 -18.647
176 HA GLN 24 HA GLN 24 11.510 4.574 -19.185
177 HB2 GLN 24 2HB GLN 24 12.668 2.488 -20.693
178 HB3 GLN 24 3HB GLN 24 11.353 1.765 -19.776
179 HG2 GLN 24 2HG GLN 24 9.920 3.686 -20.639
180 HG3 GLN 24 3HG GLN 24 11.230 3.990 -21.779
181 HE21 GLN 24 1HE2 GLN 24 9.109 3.519 -23.069
182 HE22 GLN 24 2HE2 GLN 24 8.961 1.894 -23.633
Start of MODEL 7
1 H1 LYS 1 H LYS 1 0.652 0.545 0.444
2 HA LYS 1 HA LYS 1 2.846 -0.318 -1.020
3 HB2 LYS 1 2HB LYS 1 1.659 0.679 -2.995
4 HB3 LYS 1 3HB LYS 1 0.671 -0.391 -2.009
5 HG2 LYS 1 2HG LYS 1 -0.229 1.657 -0.869
6 HG3 LYS 1 3HG LYS 1 0.603 2.613 -2.097
7 HD2 LYS 1 2HD LYS 1 -0.726 1.742 -3.829
8 HD3 LYS 1 3HD LYS 1 -1.309 0.412 -2.825
9 HE2 LYS 1 2HE LYS 1 -2.226 2.409 -1.352
10 HE3 LYS 1 3HE LYS 1 -2.150 3.265 -2.891
11 HZ1 LYS 1 3HZ LYS 1 -3.462 1.367 -3.835
12 HZ2 LYS 1 1HZ LYS 1 -4.297 2.338 -2.729
13 HZ3 LYS 1 2HZ LYS 1 -3.707 0.827 -2.251
14 H LEU 2 H LEU 2 1.886 2.942 -0.106
15 HA LEU 2 HA LEU 2 3.495 4.478 -1.721
16 HB2 LEU 2 2HB LEU 2 2.593 4.796 1.114
17 HB3 LEU 2 3HB LEU 2 3.665 5.988 0.381
18 HG LEU 2 HG LEU 2 2.025 6.670 -1.160
19 HD11 LEU 2 1HD1 LEU 2 0.424 4.252 -0.339
20 HD12 LEU 2 2HD1 LEU 2 1.252 4.489 -1.878
21 HD13 LEU 2 3HD1 LEU 2 -0.120 5.511 -1.448
22 HD21 LEU 2 3HD2 LEU 2 1.669 7.063 1.439
23 HD22 LEU 2 1HD2 LEU 2 0.194 6.152 1.118
24 HD23 LEU 2 2HD2 LEU 2 0.516 7.646 0.238
25 H GLY 3 H GLY 3 5.568 4.086 -2.182
26 HA2 GLY 3 2HA GLY 3 7.835 4.559 -1.362
27 HA3 GLY 3 3HA GLY 3 7.411 3.664 0.090
28 H PHE 4 H PHE 4 5.965 1.661 -1.654
29 HA PHE 4 HA PHE 4 8.287 -0.011 -2.130
30 HB2 PHE 4 2HB PHE 4 6.904 -1.694 -1.613
31 HB3 PHE 4 3HB PHE 4 5.666 -0.488 -1.279
32 HD1 PHE 4 HD1 PHE 4 7.007 -2.776 -3.836
33 HD2 PHE 4 HD2 PHE 4 3.806 -0.204 -2.716
34 HE1 PHE 4 HE1 PHE 4 5.642 -3.680 -5.673
35 HE2 PHE 4 HE2 PHE 4 2.436 -1.104 -4.550
36 HZ PHE 4 HZ PHE 4 3.353 -2.845 -6.031
37 H PHE 5 H PHE 5 5.536 1.258 -3.977
38 HA PHE 5 HA PHE 5 6.573 0.205 -6.460
39 HB2 PHE 5 2HB PHE 5 4.613 1.275 -7.483
40 HB3 PHE 5 3HB PHE 5 4.151 0.301 -6.091
41 HD1 PHE 5 HD1 PHE 5 4.476 3.691 -7.418
42 HD2 PHE 5 HD2 PHE 5 3.315 1.327 -4.075
43 HE1 PHE 5 HE1 PHE 5 3.329 5.637 -6.445
44 HE2 PHE 5 HE2 PHE 5 2.165 3.269 -3.096
45 HZ PHE 5 HZ PHE 5 2.170 5.428 -4.281
46 H LYS 6 H LYS 6 6.716 3.157 -4.668
47 HA LYS 6 HA LYS 6 7.369 4.909 -6.799
48 HB2 LYS 6 2HB LYS 6 7.879 5.055 -3.828
49 HB3 LYS 6 3HB LYS 6 8.304 6.351 -4.939
50 HG2 LYS 6 2HG LYS 6 5.537 5.277 -4.434
51 HG3 LYS 6 3HG LYS 6 6.190 6.811 -3.854
52 HD2 LYS 6 2HD LYS 6 6.623 7.285 -6.369
53 HD3 LYS 6 3HD LYS 6 5.443 6.000 -6.639
54 HE2 LYS 6 2HE LYS 6 4.176 7.967 -6.648
55 HE3 LYS 6 3HE LYS 6 3.933 7.296 -5.036
56 HZ1 LYS 6 3HZ LYS 6 6.132 9.185 -5.383
57 HZ2 LYS 6 1HZ LYS 6 5.097 8.961 -4.064
58 HZ3 LYS 6 2HZ LYS 6 4.563 9.815 -5.423
59 H ARG 7 H ARG 7 9.256 2.786 -4.741
60 HA ARG 7 HA ARG 7 11.773 3.795 -5.775
61 HB2 ARG 7 2HB ARG 7 12.834 2.357 -4.218
62 HB3 ARG 7 3HB ARG 7 11.429 3.014 -3.389
63 HG2 ARG 7 2HG ARG 7 11.141 0.860 -2.803
64 HG3 ARG 7 3HG ARG 7 10.344 0.775 -4.375
65 HD2 ARG 7 2HD ARG 7 12.003 -0.453 -5.298
66 HD3 ARG 7 3HD ARG 7 13.265 0.377 -4.388
67 HE ARG 7 HE ARG 7 11.711 -1.256 -2.675
68 HH11 ARG 7 1HH1 ARG 7 14.175 -1.414 -5.129
69 HH12 ARG 7 2HH1 ARG 7 14.856 -2.892 -4.535
70 HH21 ARG 7 1HH2 ARG 7 12.598 -3.202 -1.882
71 HH22 ARG 7 2HH2 ARG 7 13.958 -3.908 -2.688
72 H GLN 8 H GLN 8 9.608 1.097 -6.257
73 HA GLN 8 HA GLN 8 11.473 -0.433 -7.821
74 HB2 GLN 8 2HB GLN 8 8.803 -0.791 -6.744
75 HB3 GLN 8 3HB GLN 8 8.904 -1.351 -8.408
76 HG2 GLN 8 2HG GLN 8 10.739 -2.207 -6.181
77 HG3 GLN 8 3HG GLN 8 9.352 -3.123 -6.767
78 HE21 GLN 8 1HE2 GLN 8 9.406 -3.912 -8.938
79 HE22 GLN 8 2HE2 GLN 8 10.918 -4.236 -9.708
80 H TYR 9 H TYR 9 9.049 1.986 -8.420
81 HA TYR 9 HA TYR 9 8.960 1.497 -11.267
82 HB2 TYR 9 2HB TYR 9 7.736 3.592 -9.478
83 HB3 TYR 9 3HB TYR 9 7.606 3.669 -11.232
84 HD1 TYR 9 HD1 TYR 9 7.683 0.295 -10.302
85 HD2 TYR 9 HD2 TYR 9 5.097 3.673 -10.360
86 HE1 TYR 9 HE1 TYR 9 5.734 -1.203 -10.221
87 HE2 TYR 9 HE2 TYR 9 3.141 2.185 -10.278
88 HH TYR 9 HH TYR 9 3.492 -1.289 -9.852
89 H LYS 10 H LYS 10 10.666 3.557 -9.046
90 HA LYS 10 HA LYS 10 11.637 5.352 -11.086
91 HB2 LYS 10 2HB LYS 10 12.027 5.047 -8.141
92 HB3 LYS 10 3HB LYS 10 13.225 5.955 -9.054
93 HG2 LYS 10 2HG LYS 10 11.256 7.293 -9.973
94 HG3 LYS 10 3HG LYS 10 10.313 6.556 -8.675
95 HD2 LYS 10 2HD LYS 10 11.160 7.969 -7.177
96 HD3 LYS 10 3HD LYS 10 12.811 7.578 -7.664
97 HE2 LYS 10 2HE LYS 10 12.756 9.806 -8.180
98 HE3 LYS 10 3HE LYS 10 12.214 9.121 -9.712
99 HZ1 LYS 10 3HZ LYS 10 10.900 11.055 -8.682
100 HZ2 LYS 10 1HZ LYS 10 10.255 9.883 -7.646
101 HZ3 LYS 10 2HZ LYS 10 10.040 9.745 -9.318
102 H ASP 11 H ASP 11 12.587 2.344 -9.716
103 HA ASP 11 HA ASP 11 15.367 2.560 -10.451
104 HB2 ASP 11 2HB ASP 11 14.789 1.193 -8.539
105 HB3 ASP 11 3HB ASP 11 13.704 0.212 -9.520
106 H MET 12 H MET 12 12.434 1.198 -11.810
107 HA MET 12 HA MET 12 13.843 -0.120 -13.964
108 HB2 MET 12 2HB MET 12 11.573 -0.676 -14.783
109 HB3 MET 12 3HB MET 12 11.831 -1.161 -13.112
110 HG2 MET 12 2HG MET 12 10.630 0.845 -12.363
111 HG3 MET 12 3HG MET 12 10.338 1.278 -14.046
112 HE1 MET 12 3HE MET 12 8.052 -0.259 -15.528
113 HE2 MET 12 1HE MET 12 9.755 -0.709 -15.613
114 HE3 MET 12 2HE MET 12 8.537 -1.933 -15.255
115 H MET 13 H MET 13 12.320 2.931 -13.371
116 HA MET 13 HA MET 13 11.908 3.660 -16.097
117 HB2 MET 13 2HB MET 13 11.849 5.082 -13.474
118 HB3 MET 13 3HB MET 13 11.954 6.043 -14.943
119 HG2 MET 13 2HG MET 13 9.897 5.175 -15.754
120 HG3 MET 13 3HG MET 13 9.837 3.963 -14.477
121 HE1 MET 13 3HE MET 13 9.358 8.459 -14.072
122 HE2 MET 13 1HE MET 13 10.036 7.528 -15.408
123 HE3 MET 13 2HE MET 13 8.287 7.669 -15.231
124 H SEP 14 H SER 14 14.675 3.326 -14.225
125 HA SEP 14 HA SER 14 16.179 5.348 -15.716
126 HB2 SEP 14 2HB SER 14 16.497 5.253 -13.269
127 HB3 SEP 14 3HB SER 14 17.059 3.588 -13.414
128 H GLU 15 H GLU 15 15.871 1.886 -15.295
129 HA GLU 15 HA GLU 15 18.130 1.356 -17.054
130 HB2 GLU 15 2HB GLU 15 16.334 -0.335 -15.354
131 HB3 GLU 15 3HB GLU 15 17.258 -1.081 -16.650
132 HG2 GLU 15 2HG GLU 15 19.180 -0.947 -15.524
133 HG3 GLU 15 3HG GLU 15 18.836 0.679 -14.935
134 H GLY 16 H GLY 16 14.611 1.103 -17.038
135 HA2 GLY 16 2HA GLY 16 13.099 0.767 -18.732
136 HA3 GLY 16 3HA GLY 16 14.317 1.471 -19.785
137 H GLY 17 H GLY 17 15.148 -1.387 -18.037
138 HA2 GLY 17 2HA GLY 17 14.577 -3.639 -18.930
139 HA3 GLY 17 3HA GLY 17 14.827 -2.948 -20.527
140 HA PRO 18 HA PRO 18 19.099 -3.916 -20.476
141 HB2 PRO 18 2HB PRO 18 20.345 -1.637 -21.268
142 HB3 PRO 18 3HB PRO 18 19.379 -2.634 -22.362
143 HG2 PRO 18 2HG PRO 18 18.623 -0.119 -20.926
144 HG3 PRO 18 3HG PRO 18 18.287 -0.595 -22.601
145 HD2 PRO 18 2HD PRO 18 16.441 -0.800 -20.630
146 HD3 PRO 18 3HD PRO 18 16.508 -1.931 -21.997
147 HA PRO 19 HA PRO 19 21.269 -2.762 -16.829
148 HB2 PRO 19 2HB PRO 19 23.858 -2.595 -17.627
149 HB3 PRO 19 3HB PRO 19 22.993 -4.130 -17.489
150 HG2 PRO 19 2HG PRO 19 23.544 -2.479 -19.924
151 HG3 PRO 19 3HG PRO 19 23.654 -4.236 -19.715
152 HD2 PRO 19 2HD PRO 19 21.538 -3.041 -20.909
153 HD3 PRO 19 3HD PRO 19 21.382 -4.535 -19.962
154 H GLY 20 H GLY 20 20.033 -0.556 -17.391
155 HA2 GLY 20 2HA GLY 20 20.117 1.715 -17.035
156 HA3 GLY 20 3HA GLY 20 21.811 1.519 -16.610
157 H ALA 21 H ALA 21 20.158 0.803 -19.666
158 HA ALA 21 HA ALA 21 22.130 2.471 -21.042
159 HB1 ALA 21 1HB ALA 21 21.756 1.218 -22.951
160 HB2 ALA 21 2HB ALA 21 21.543 0.025 -21.669
161 HB3 ALA 21 3HB ALA 21 20.133 0.744 -22.447
162 H GLU 22 H GLU 22 18.679 1.770 -21.614
163 HA GLU 22 HA GLU 22 18.299 4.637 -22.181
164 HB2 GLU 22 2HB GLU 22 16.955 2.216 -23.382
165 HB3 GLU 22 3HB GLU 22 16.356 3.854 -23.600
166 HG2 GLU 22 2HG GLU 22 18.546 4.462 -24.598
167 HG3 GLU 22 3HG GLU 22 19.012 2.765 -24.497
168 HA PRO 23 HA PRO 23 15.414 4.820 -18.868
169 HB2 PRO 23 2HB PRO 23 13.897 6.909 -19.707
170 HB3 PRO 23 3HB PRO 23 15.538 7.104 -19.080
171 HG2 PRO 23 2HG PRO 23 14.592 7.023 -21.919
172 HG3 PRO 23 3HG PRO 23 15.779 8.104 -21.166
173 HD2 PRO 23 2HD PRO 23 16.499 5.959 -22.653
174 HD3 PRO 23 3HD PRO 23 17.465 6.537 -21.280
175 H GLN 24 H GLN 24 13.559 3.812 -18.363
176 HA GLN 24 HA GLN 24 12.152 2.096 -19.775
177 HB2 GLN 24 2HB GLN 24 11.500 2.417 -17.525
178 HB3 GLN 24 3HB GLN 24 11.067 4.098 -17.806
179 HG2 GLN 24 2HG GLN 24 9.001 3.579 -18.462
180 HG3 GLN 24 3HG GLN 24 9.552 2.220 -19.440
181 HE21 GLN 24 1HE2 GLN 24 8.715 3.244 -16.192
182 HE22 GLN 24 2HE2 GLN 24 8.339 1.669 -15.589
Start of MODEL 8
1 H1 LYS 1 H LYS 1 0.686 1.009 0.675
2 HA LYS 1 HA LYS 1 2.597 -0.510 -0.977
3 HB2 LYS 1 2HB LYS 1 1.259 0.610 -2.900
4 HB3 LYS 1 3HB LYS 1 0.568 -0.782 -2.076
5 HG2 LYS 1 2HG LYS 1 -1.202 0.385 -1.430
6 HG3 LYS 1 3HG LYS 1 -0.191 1.672 -0.768
7 HD2 LYS 1 2HD LYS 1 -1.269 2.846 -2.402
8 HD3 LYS 1 3HD LYS 1 0.108 2.255 -3.335
9 HE2 LYS 1 2HE LYS 1 -1.373 1.396 -4.759
10 HE3 LYS 1 3HE LYS 1 -1.751 0.210 -3.511
11 HZ1 LYS 1 3HZ LYS 1 -3.138 2.791 -3.984
12 HZ2 LYS 1 1HZ LYS 1 -3.445 1.773 -2.668
13 HZ3 LYS 1 2HZ LYS 1 -3.764 1.241 -4.241
14 H LEU 2 H LEU 2 1.406 2.700 -0.123
15 HA LEU 2 HA LEU 2 2.927 4.300 -1.763
16 HB2 LEU 2 2HB LEU 2 1.955 4.630 1.047
17 HB3 LEU 2 3HB LEU 2 2.959 5.873 0.302
18 HG LEU 2 HG LEU 2 1.307 6.384 -1.305
19 HD11 LEU 2 1HD1 LEU 2 -0.192 3.942 -0.368
20 HD12 LEU 2 2HD1 LEU 2 0.672 4.107 -1.896
21 HD13 LEU 2 3HD1 LEU 2 -0.751 5.098 -1.577
22 HD21 LEU 2 3HD2 LEU 2 0.902 6.833 1.300
23 HD22 LEU 2 1HD2 LEU 2 -0.547 5.892 0.945
24 HD23 LEU 2 2HD2 LEU 2 -0.216 7.374 0.046
25 H GLY 3 H GLY 3 5.028 4.044 -2.185
26 HA2 GLY 3 2HA GLY 3 7.243 4.700 -1.348
27 HA3 GLY 3 3HA GLY 3 6.861 3.813 0.121
28 H PHE 4 H PHE 4 5.586 1.674 -1.602
29 HA PHE 4 HA PHE 4 8.022 0.149 -1.983
30 HB2 PHE 4 2HB PHE 4 6.734 -1.618 -1.497
31 HB3 PHE 4 3HB PHE 4 5.423 -0.483 -1.189
32 HD1 PHE 4 HD2 PHE 4 6.921 -2.729 -3.691
33 HD2 PHE 4 HD1 PHE 4 3.585 -0.288 -2.677
34 HE1 PHE 4 HE2 PHE 4 5.639 -3.718 -5.544
35 HE2 PHE 4 HE1 PHE 4 2.297 -1.274 -4.527
36 HZ PHE 4 HZ PHE 4 3.324 -2.990 -5.964
37 H PHE 5 H PHE 5 5.265 1.225 -3.939
38 HA PHE 5 HA PHE 5 6.418 0.175 -6.368
39 HB2 PHE 5 2HB PHE 5 4.456 1.162 -7.469
40 HB3 PHE 5 3HB PHE 5 3.985 0.197 -6.073
41 HD1 PHE 5 HD2 PHE 5 3.099 1.247 -4.076
42 HD2 PHE 5 HD1 PHE 5 4.192 3.555 -7.481
43 HE1 PHE 5 HE2 PHE 5 1.857 3.167 -3.168
44 HE2 PHE 5 HE1 PHE 5 2.953 5.480 -6.578
45 HZ PHE 5 HZ PHE 5 1.782 5.287 -4.420
46 H LYS 6 H LYS 6 6.348 3.192 -4.657
47 HA LYS 6 HA LYS 6 7.030 4.909 -6.798
48 HB2 LYS 6 2HB LYS 6 6.404 5.229 -4.127
49 HB3 LYS 6 3HB LYS 6 8.098 5.697 -4.193
50 HG2 LYS 6 2HG LYS 6 6.708 7.637 -4.482
51 HG3 LYS 6 3HG LYS 6 7.561 7.294 -5.989
52 HD2 LYS 6 2HD LYS 6 5.615 6.410 -6.999
53 HD3 LYS 6 3HD LYS 6 4.763 6.323 -5.456
54 HE2 LYS 6 2HE LYS 6 3.958 8.368 -5.766
55 HE3 LYS 6 3HE LYS 6 5.595 9.012 -5.882
56 HZ1 LYS 6 3HZ LYS 6 4.438 7.682 -8.226
57 HZ2 LYS 6 1HZ LYS 6 5.561 8.946 -8.149
58 HZ3 LYS 6 2HZ LYS 6 3.924 9.250 -7.853
59 H ARG 7 H ARG 7 8.935 2.952 -4.584
60 HA ARG 7 HA ARG 7 11.442 4.021 -5.555
61 HB2 ARG 7 2HB ARG 7 11.290 3.387 -3.219
62 HB3 ARG 7 3HB ARG 7 10.823 1.750 -3.660
63 HG2 ARG 7 2HG ARG 7 13.275 2.317 -4.953
64 HG3 ARG 7 3HG ARG 7 13.423 2.814 -3.266
65 HD2 ARG 7 2HD ARG 7 12.192 0.441 -2.953
66 HD3 ARG 7 3HD ARG 7 13.090 0.125 -4.437
67 HE ARG 7 HE ARG 7 14.662 1.303 -2.330
68 HH11 ARG 7 1HH1 ARG 7 13.489 -1.656 -3.741
69 HH12 ARG 7 2HH1 ARG 7 14.760 -2.629 -3.079
70 HH21 ARG 7 1HH2 ARG 7 16.342 0.032 -1.453
71 HH22 ARG 7 2HH2 ARG 7 16.382 -1.668 -1.777
72 H GLN 8 H GLN 8 9.419 1.216 -6.068
73 HA GLN 8 HA GLN 8 11.402 -0.240 -7.556
74 HB2 GLN 8 2HB GLN 8 9.170 -1.007 -6.255
75 HB3 GLN 8 3HB GLN 8 8.535 -0.905 -7.892
76 HG2 GLN 8 2HG GLN 8 9.474 -2.829 -8.446
77 HG3 GLN 8 3HG GLN 8 11.054 -2.281 -7.888
78 HE21 GLN 8 1HE2 GLN 8 11.881 -3.718 -6.561
79 HE22 GLN 8 2HE2 GLN 8 11.037 -4.556 -5.308
80 H TYR 9 H TYR 9 8.977 2.125 -8.250
81 HA TYR 9 HA TYR 9 8.916 1.570 -11.088
82 HB2 TYR 9 2HB TYR 9 7.652 3.662 -9.333
83 HB3 TYR 9 3HB TYR 9 7.588 3.782 -11.088
84 HD1 TYR 9 HD1 TYR 9 7.604 0.398 -10.006
85 HD2 TYR 9 HD2 TYR 9 5.060 3.766 -10.542
86 HE1 TYR 9 HE1 TYR 9 5.647 -1.092 -10.033
87 HE2 TYR 9 HE2 TYR 9 3.096 2.286 -10.569
88 HH TYR 9 HH TYR 9 2.355 0.205 -10.358
89 H LYS 10 H LYS 10 10.518 3.769 -8.893
90 HA LYS 10 HA LYS 10 11.524 5.505 -10.942
91 HB2 LYS 10 2HB LYS 10 11.204 6.346 -8.683
92 HB3 LYS 10 3HB LYS 10 12.330 5.153 -8.049
93 HG2 LYS 10 2HG LYS 10 13.430 6.872 -10.153
94 HG3 LYS 10 3HG LYS 10 12.969 7.712 -8.671
95 HD2 LYS 10 2HD LYS 10 14.355 5.267 -8.052
96 HD3 LYS 10 3HD LYS 10 15.316 6.258 -9.152
97 HE2 LYS 10 2HE LYS 10 15.992 7.192 -7.199
98 HE3 LYS 10 3HE LYS 10 14.541 8.160 -7.450
99 HZ1 LYS 10 3HZ LYS 10 14.602 5.670 -5.837
100 HZ2 LYS 10 1HZ LYS 10 13.330 6.780 -5.958
101 HZ3 LYS 10 2HZ LYS 10 14.766 7.221 -5.180
102 H ASP 11 H ASP 11 12.555 2.553 -9.446
103 HA ASP 11 HA ASP 11 15.304 2.746 -10.217
104 HB2 ASP 11 2HB ASP 11 13.587 0.800 -8.855
105 HB3 ASP 11 3HB ASP 11 14.824 0.059 -9.865
106 H MET 12 H MET 12 12.417 1.227 -11.567
107 HA MET 12 HA MET 12 13.863 0.041 -13.759
108 HB2 MET 12 2HB MET 12 11.347 -0.335 -12.570
109 HB3 MET 12 3HB MET 12 11.017 0.224 -14.204
110 HG2 MET 12 2HG MET 12 12.457 -1.562 -15.083
111 HG3 MET 12 3HG MET 12 12.717 -2.138 -13.438
112 HE1 MET 12 3HE MET 12 9.113 -2.576 -16.130
113 HE2 MET 12 1HE MET 12 9.023 -1.080 -15.199
114 HE3 MET 12 2HE MET 12 10.416 -1.391 -16.235
115 H MET 13 H MET 13 12.377 3.060 -13.092
116 HA MET 13 HA MET 13 11.826 3.811 -15.794
117 HB2 MET 13 2HB MET 13 11.644 5.038 -13.142
118 HB3 MET 13 3HB MET 13 12.097 6.174 -14.406
119 HG2 MET 13 2HG MET 13 10.110 5.270 -15.708
120 HG3 MET 13 3HG MET 13 9.613 4.511 -14.198
121 HE1 MET 13 3HE MET 13 8.985 6.833 -16.452
122 HE2 MET 13 1HE MET 13 7.510 7.148 -15.537
123 HE3 MET 13 2HE MET 13 8.694 8.433 -15.770
124 H SEP 14 H SER 14 14.667 3.490 -14.020
125 HA SEP 14 HA SER 14 16.101 5.521 -15.566
126 HB2 SEP 14 2HB SER 14 16.499 4.221 -12.976
127 HB3 SEP 14 3HB SER 14 17.970 4.285 -13.947
128 H GLU 15 H GLU 15 15.857 2.053 -15.116
129 HA GLU 15 HA GLU 15 18.019 1.567 -17.013
130 HB2 GLU 15 2HB GLU 15 17.573 -0.842 -16.480
131 HB3 GLU 15 3HB GLU 15 18.047 0.136 -15.097
132 HG2 GLU 15 2HG GLU 15 15.753 0.269 -14.357
133 HG3 GLU 15 3HG GLU 15 15.214 -0.611 -15.786
134 H GLY 16 H GLY 16 14.526 1.171 -16.711
135 HA2 GLY 16 2HA GLY 16 12.900 0.770 -18.280
136 HA3 GLY 16 3HA GLY 16 14.028 1.436 -19.452
137 H GLY 17 H GLY 17 15.146 -1.284 -17.695
138 HA2 GLY 17 2HA GLY 17 14.553 -3.605 -18.388
139 HA3 GLY 17 3HA GLY 17 14.576 -2.997 -20.036
140 HA PRO 18 HA PRO 18 18.868 -3.765 -20.473
141 HB2 PRO 18 2HB PRO 18 19.929 -1.455 -21.426
142 HB3 PRO 18 3HB PRO 18 18.883 -2.502 -22.392
143 HG2 PRO 18 2HG PRO 18 18.200 0.004 -20.904
144 HG3 PRO 18 3HG PRO 18 17.694 -0.508 -22.524
145 HD2 PRO 18 2HD PRO 18 16.094 -0.751 -20.353
146 HD3 PRO 18 3HD PRO 18 16.047 -1.898 -21.707
147 HA PRO 19 HA PRO 19 21.394 -2.481 -17.110
148 HB2 PRO 19 2HB PRO 19 23.867 -2.231 -18.201
149 HB3 PRO 19 3HB PRO 19 23.082 -3.794 -17.949
150 HG2 PRO 19 2HG PRO 19 23.289 -2.160 -20.449
151 HG3 PRO 19 3HG PRO 19 23.489 -3.909 -20.236
152 HD2 PRO 19 2HD PRO 19 21.206 -2.809 -21.191
153 HD3 PRO 19 3HD PRO 19 21.216 -4.293 -20.217
154 H GLY 20 H GLY 20 20.038 -0.334 -17.478
155 HA2 GLY 20 2HA GLY 20 20.088 1.941 -17.144
156 HA3 GLY 20 3HA GLY 20 21.833 1.814 -16.984
157 H ALA 21 H ALA 21 19.783 0.984 -19.754
158 HA ALA 21 HA ALA 21 21.439 2.734 -21.415
159 HB1 ALA 21 1HB ALA 21 19.353 0.964 -22.582
160 HB2 ALA 21 2HB ALA 21 20.947 1.395 -23.201
161 HB3 ALA 21 3HB ALA 21 20.797 0.223 -21.892
162 H GLU 22 H GLU 22 17.973 1.873 -21.328
163 HA GLU 22 HA GLU 22 17.368 4.676 -22.005
164 HB2 GLU 22 2HB GLU 22 16.039 2.095 -22.765
165 HB3 GLU 22 3HB GLU 22 15.126 3.598 -22.770
166 HG2 GLU 22 2HG GLU 22 16.070 4.301 -24.661
167 HG3 GLU 22 3HG GLU 22 17.681 3.792 -24.158
168 HA PRO 23 HA PRO 23 15.534 4.879 -17.968
169 HB2 PRO 23 2HB PRO 23 14.454 7.354 -18.249
170 HB3 PRO 23 3HB PRO 23 16.177 7.085 -17.965
171 HG2 PRO 23 2HG PRO 23 14.745 7.642 -20.534
172 HG3 PRO 23 3HG PRO 23 16.278 8.307 -19.941
173 HD2 PRO 23 2HD PRO 23 16.167 6.304 -21.759
174 HD3 PRO 23 3HD PRO 23 17.477 6.441 -20.568
175 H GLN 24 H GLN 24 13.996 3.169 -18.539
176 HA GLN 24 HA GLN 24 11.314 4.272 -19.042
177 HB2 GLN 24 2HB GLN 24 12.715 2.429 -20.661
178 HB3 GLN 24 3HB GLN 24 11.461 1.514 -19.834
179 HG2 GLN 24 2HG GLN 24 9.785 3.117 -20.640
180 HG3 GLN 24 3HG GLN 24 11.053 3.982 -21.507
181 HE21 GLN 24 1HE2 GLN 24 8.950 3.114 -22.917
182 HE22 GLN 24 2HE2 GLN 24 9.383 1.767 -23.908
Start of MODEL 9
1 H1 LYS 1 H LYS 1 1.778 0.413 0.982
2 HA LYS 1 HA LYS 1 2.719 -0.595 -1.073
3 HB2 LYS 1 2HB LYS 1 1.310 0.893 -3.011
4 HB3 LYS 1 3HB LYS 1 1.302 -0.850 -2.777
5 HG2 LYS 1 2HG LYS 1 -0.950 -0.191 -2.757
6 HG3 LYS 1 3HG LYS 1 -0.526 -0.479 -1.068
7 HD2 LYS 1 2HD LYS 1 -0.478 1.799 -0.568
8 HD3 LYS 1 3HD LYS 1 -0.319 2.264 -2.264
9 HE2 LYS 1 2HE LYS 1 -2.751 0.757 -1.717
10 HE3 LYS 1 3HE LYS 1 -2.649 2.253 -0.790
11 HZ1 LYS 1 3HZ LYS 1 -2.095 3.349 -2.983
12 HZ2 LYS 1 1HZ LYS 1 -3.690 2.818 -2.794
13 HZ3 LYS 1 2HZ LYS 1 -2.605 1.920 -3.730
14 H LEU 2 H LEU 2 1.540 2.586 -0.259
15 HA LEU 2 HA LEU 2 3.086 4.223 -1.843
16 HB2 LEU 2 2HB LEU 2 2.091 4.479 0.966
17 HB3 LEU 2 3HB LEU 2 3.111 5.734 0.267
18 HG LEU 2 HG LEU 2 1.477 6.298 -1.346
19 HD11 LEU 2 1HD1 LEU 2 -0.058 3.857 -0.466
20 HD12 LEU 2 2HD1 LEU 2 0.818 4.041 -1.985
21 HD13 LEU 2 3HD1 LEU 2 -0.594 5.044 -1.655
22 HD21 LEU 2 3HD2 LEU 2 1.078 6.759 1.229
23 HD22 LEU 2 1HD2 LEU 2 -0.345 5.759 0.938
24 HD23 LEU 2 2HD2 LEU 2 -0.100 7.237 0.006
25 H GLY 3 H GLY 3 5.188 3.950 -2.254
26 HA2 GLY 3 2HA GLY 3 7.402 4.560 -1.384
27 HA3 GLY 3 3HA GLY 3 6.998 3.648 0.063
28 H PHE 4 H PHE 4 5.716 1.555 -1.705
29 HA PHE 4 HA PHE 4 8.142 0.018 -2.109
30 HB2 PHE 4 2HB PHE 4 6.841 -1.744 -1.643
31 HB3 PHE 4 3HB PHE 4 5.533 -0.608 -1.331
32 HD1 PHE 4 HD1 PHE 4 7.039 -2.827 -3.851
33 HD2 PHE 4 HD2 PHE 4 3.704 -0.390 -2.825
34 HE1 PHE 4 HE1 PHE 4 5.765 -3.790 -5.723
35 HE2 PHE 4 HE2 PHE 4 2.424 -1.349 -4.695
36 HZ PHE 4 HZ PHE 4 3.453 -3.052 -6.146
37 H PHE 5 H PHE 5 5.390 1.143 -4.045
38 HA PHE 5 HA PHE 5 6.532 0.125 -6.492
39 HB2 PHE 5 2HB PHE 5 4.579 1.160 -7.573
40 HB3 PHE 5 3HB PHE 5 4.102 0.161 -6.205
41 HD1 PHE 5 HD2 PHE 5 4.399 3.579 -7.476
42 HD2 PHE 5 HD1 PHE 5 3.154 1.135 -4.221
43 HE1 PHE 5 HE2 PHE 5 3.172 5.485 -6.520
44 HE2 PHE 5 HE1 PHE 5 1.923 3.037 -3.260
45 HZ PHE 5 HZ PHE 5 1.932 5.215 -4.409
46 H LYS 6 H LYS 6 6.500 3.111 -4.729
47 HA LYS 6 HA LYS 6 7.190 4.860 -6.840
48 HB2 LYS 6 2HB LYS 6 6.652 5.093 -4.107
49 HB3 LYS 6 3HB LYS 6 8.309 5.655 -4.286
50 HG2 LYS 6 2HG LYS 6 6.790 7.513 -4.463
51 HG3 LYS 6 3HG LYS 6 7.565 7.230 -6.023
52 HD2 LYS 6 2HD LYS 6 5.557 5.975 -6.745
53 HD3 LYS 6 3HD LYS 6 4.784 6.382 -5.211
54 HE2 LYS 6 2HE LYS 6 4.203 8.395 -5.961
55 HE3 LYS 6 3HE LYS 6 5.850 8.739 -6.485
56 HZ1 LYS 6 3HZ LYS 6 5.194 8.502 -8.570
57 HZ2 LYS 6 1HZ LYS 6 3.615 8.160 -8.066
58 HZ3 LYS 6 2HZ LYS 6 4.728 6.904 -8.272
59 H ARG 7 H ARG 7 9.094 2.867 -4.650
60 HA ARG 7 HA ARG 7 11.605 3.918 -5.619
61 HB2 ARG 7 2HB ARG 7 12.648 2.412 -4.076
62 HB3 ARG 7 3HB ARG 7 11.263 3.133 -3.267
63 HG2 ARG 7 2HG ARG 7 9.959 1.106 -3.710
64 HG3 ARG 7 3HG ARG 7 11.367 0.384 -4.490
65 HD2 ARG 7 2HD ARG 7 12.583 0.839 -2.281
66 HD3 ARG 7 3HD ARG 7 10.977 1.093 -1.599
67 HE ARG 7 HE ARG 7 10.641 -1.168 -1.651
68 HH11 ARG 7 1HH1 ARG 7 13.335 -0.375 -3.708
69 HH12 ARG 7 2HH1 ARG 7 13.771 -2.027 -3.994
70 HH21 ARG 7 1HH2 ARG 7 11.205 -3.347 -2.020
71 HH22 ARG 7 2HH2 ARG 7 12.558 -3.717 -3.035
72 H GLN 8 H GLN 8 9.560 1.133 -6.180
73 HA GLN 8 HA GLN 8 11.520 -0.294 -7.722
74 HB2 GLN 8 2HB GLN 8 9.243 -1.041 -6.439
75 HB3 GLN 8 3HB GLN 8 8.674 -0.965 -8.101
76 HG2 GLN 8 2HG GLN 8 9.349 -3.170 -7.832
77 HG3 GLN 8 3HG GLN 8 10.699 -2.409 -8.672
78 HE21 GLN 8 1HE2 GLN 8 9.559 -3.649 -5.614
79 HE22 GLN 8 2HE2 GLN 8 11.114 -3.823 -4.881
80 H TYR 9 H TYR 9 9.156 2.138 -8.336
81 HA TYR 9 HA TYR 9 9.021 1.641 -11.180
82 HB2 TYR 9 2HB TYR 9 7.849 3.702 -9.337
83 HB3 TYR 9 3HB TYR 9 7.807 3.941 -11.080
84 HD1 TYR 9 HD1 TYR 9 7.614 0.535 -9.854
85 HD2 TYR 9 HD2 TYR 9 5.329 3.959 -10.929
86 HE1 TYR 9 HE1 TYR 9 5.595 -0.863 -9.993
87 HE2 TYR 9 HE2 TYR 9 3.304 2.571 -11.070
88 HH TYR 9 HH TYR 9 2.492 0.396 -10.109
89 H LYS 10 H LYS 10 10.683 3.815 -8.984
90 HA LYS 10 HA LYS 10 11.738 5.516 -11.026
91 HB2 LYS 10 2HB LYS 10 11.420 6.020 -8.511
92 HB3 LYS 10 3HB LYS 10 12.946 5.174 -8.293
93 HG2 LYS 10 2HG LYS 10 14.136 6.910 -9.021
94 HG3 LYS 10 3HG LYS 10 13.056 7.190 -10.389
95 HD2 LYS 10 2HD LYS 10 11.506 8.385 -8.962
96 HD3 LYS 10 3HD LYS 10 12.495 8.028 -7.545
97 HE2 LYS 10 2HE LYS 10 13.716 9.843 -7.923
98 HE3 LYS 10 3HE LYS 10 14.150 9.236 -9.520
99 HZ1 LYS 10 3HZ LYS 10 12.274 10.298 -10.472
100 HZ2 LYS 10 1HZ LYS 10 13.040 11.452 -9.500
101 HZ3 LYS 10 2HZ LYS 10 11.629 10.693 -8.959
102 H ASP 11 H ASP 11 12.712 2.526 -9.551
103 HA ASP 11 HA ASP 11 15.450 2.634 -10.353
104 HB2 ASP 11 2HB ASP 11 13.632 0.492 -9.306
105 HB3 ASP 11 3HB ASP 11 15.205 0.057 -9.967
106 H MET 12 H MET 12 12.511 1.223 -11.719
107 HA MET 12 HA MET 12 13.897 0.034 -13.940
108 HB2 MET 12 2HB MET 12 11.423 -0.335 -12.755
109 HB3 MET 12 3HB MET 12 11.026 0.430 -14.288
110 HG2 MET 12 2HG MET 12 12.375 -1.305 -15.439
111 HG3 MET 12 3HG MET 12 12.596 -2.102 -13.883
112 HE1 MET 12 3HE MET 12 11.124 -3.942 -16.284
113 HE2 MET 12 1HE MET 12 11.862 -4.198 -14.702
114 HE3 MET 12 2HE MET 12 10.195 -4.698 -14.989
115 H MET 13 H MET 13 12.468 3.093 -13.231
116 HA MET 13 HA MET 13 12.069 3.912 -15.947
117 HB2 MET 13 2HB MET 13 12.000 5.277 -13.283
118 HB3 MET 13 3HB MET 13 12.043 6.246 -14.750
119 HG2 MET 13 2HG MET 13 9.997 5.292 -15.525
120 HG3 MET 13 3HG MET 13 9.993 4.115 -14.214
121 HE1 MET 13 3HE MET 13 9.080 7.119 -15.674
122 HE2 MET 13 1HE MET 13 7.651 7.436 -14.690
123 HE3 MET 13 2HE MET 13 9.102 8.414 -14.477
124 H SEP 14 H SER 14 14.807 3.417 -14.126
125 HA SEP 14 HA SER 14 16.341 5.551 -15.415
126 HB2 SEP 14 2HB SER 14 16.475 4.411 -12.871
127 HB3 SEP 14 3HB SER 14 17.884 3.768 -13.715
128 H GLU 15 H GLU 15 16.030 2.056 -15.287
129 HA GLU 15 HA GLU 15 18.181 1.756 -17.253
130 HB2 GLU 15 2HB GLU 15 16.776 -0.128 -15.395
131 HB3 GLU 15 3HB GLU 15 17.600 -0.758 -16.815
132 HG2 GLU 15 2HG GLU 15 19.623 0.592 -15.965
133 HG3 GLU 15 3HG GLU 15 18.750 0.635 -14.434
134 H GLY 16 H GLY 16 14.725 1.281 -16.823
135 HA2 GLY 16 2HA GLY 16 13.043 1.011 -18.364
136 HA3 GLY 16 3HA GLY 16 14.197 1.504 -19.594
137 H GLY 17 H GLY 17 15.290 -1.133 -17.778
138 HA2 GLY 17 2HA GLY 17 14.505 -3.464 -18.236
139 HA3 GLY 17 3HA GLY 17 14.423 -2.973 -19.922
140 HA PRO 18 HA PRO 18 18.632 -3.967 -20.641
141 HB2 PRO 18 2HB PRO 18 19.750 -1.753 -21.745
142 HB3 PRO 18 3HB PRO 18 18.580 -2.765 -22.599
143 HG2 PRO 18 2HG PRO 18 18.149 -0.179 -21.153
144 HG3 PRO 18 3HG PRO 18 17.499 -0.709 -22.716
145 HD2 PRO 18 2HD PRO 18 16.048 -0.792 -20.431
146 HD3 PRO 18 3HD PRO 18 15.839 -1.975 -21.739
147 HA PRO 19 HA PRO 19 21.448 -2.738 -17.495
148 HB2 PRO 19 2HB PRO 19 23.854 -2.711 -18.753
149 HB3 PRO 19 3HB PRO 19 22.981 -4.202 -18.381
150 HG2 PRO 19 2HG PRO 19 23.133 -2.688 -20.960
151 HG3 PRO 19 3HG PRO 19 23.225 -4.437 -20.682
152 HD2 PRO 19 2HD PRO 19 20.965 -3.215 -21.537
153 HD3 PRO 19 3HD PRO 19 20.937 -4.656 -20.501
154 H GLY 20 H GLY 20 20.196 -0.512 -17.953
155 HA2 GLY 20 2HA GLY 20 20.436 1.765 -17.694
156 HA3 GLY 20 3HA GLY 20 22.176 1.521 -17.648
157 H ALA 21 H ALA 21 19.913 0.688 -20.240
158 HA ALA 21 HA ALA 21 21.547 2.266 -22.083
159 HB1 ALA 21 1HB ALA 21 19.292 0.554 -23.009
160 HB2 ALA 21 2HB ALA 21 20.845 0.890 -23.776
161 HB3 ALA 21 3HB ALA 21 20.759 -0.217 -22.407
162 H GLU 22 H GLU 22 18.052 1.617 -21.730
163 HA GLU 22 HA GLU 22 17.559 4.411 -22.523
164 HB2 GLU 22 2HB GLU 22 16.627 2.126 -23.726
165 HB3 GLU 22 3HB GLU 22 15.289 2.558 -22.672
166 HG2 GLU 22 2HG GLU 22 16.291 4.868 -24.075
167 HG3 GLU 22 3HG GLU 22 15.845 3.581 -25.194
168 HA PRO 23 HA PRO 23 16.188 4.706 -18.259
169 HB2 PRO 23 2HB PRO 23 15.861 7.400 -18.307
170 HB3 PRO 23 3HB PRO 23 17.440 6.627 -18.126
171 HG2 PRO 23 2HG PRO 23 16.166 7.783 -20.576
172 HG3 PRO 23 3HG PRO 23 17.840 7.931 -20.010
173 HD2 PRO 23 2HD PRO 23 17.110 6.201 -21.962
174 HD3 PRO 23 3HD PRO 23 18.433 5.859 -20.828
175 H GLN 24 H GLN 24 14.172 3.873 -18.087
176 HA GLN 24 HA GLN 24 11.958 4.913 -19.607
177 HB2 GLN 24 2HB GLN 24 11.838 2.598 -19.232
178 HB3 GLN 24 3HB GLN 24 12.258 2.761 -17.532
179 HG2 GLN 24 2HG GLN 24 10.138 3.240 -16.906
180 HG3 GLN 24 3HG GLN 24 9.756 4.057 -18.420
181 HE21 GLN 24 1HE2 GLN 24 8.977 1.494 -16.612
182 HE22 GLN 24 2HE2 GLN 24 8.453 0.392 -17.835
Start of MODEL 10
1 H1 LYS 1 H LYS 1 2.016 -0.185 1.146
2 HA LYS 1 HA LYS 1 2.820 -0.860 -0.998
3 HB2 LYS 1 2HB LYS 1 1.312 0.722 -2.778
4 HB3 LYS 1 3HB LYS 1 1.291 -1.028 -2.614
5 HG2 LYS 1 2HG LYS 1 -0.945 -0.337 -2.424
6 HG3 LYS 1 3HG LYS 1 -0.418 -0.705 -0.779
7 HD2 LYS 1 2HD LYS 1 -0.315 1.542 -0.179
8 HD3 LYS 1 3HD LYS 1 -0.228 2.085 -1.856
9 HE2 LYS 1 2HE LYS 1 -2.434 2.329 -1.916
10 HE3 LYS 1 3HE LYS 1 -2.655 0.635 -1.481
11 HZ1 LYS 1 3HZ LYS 1 -3.236 2.868 0.060
12 HZ2 LYS 1 1HZ LYS 1 -1.916 2.115 0.803
13 HZ3 LYS 1 2HZ LYS 1 -3.337 1.243 0.521
14 H LEU 2 H LEU 2 1.749 2.292 0.038
15 HA LEU 2 HA LEU 2 3.201 3.985 -1.576
16 HB2 LEU 2 2HB LEU 2 2.414 4.118 1.307
17 HB3 LEU 2 3HB LEU 2 3.399 5.394 0.594
18 HG LEU 2 HG LEU 2 1.662 6.053 -0.866
19 HD11 LEU 2 1HD1 LEU 2 -0.443 4.835 -1.086
20 HD12 LEU 2 2HD1 LEU 2 0.162 3.585 0.000
21 HD13 LEU 2 3HD1 LEU 2 0.930 3.837 -1.567
22 HD21 LEU 2 3HD2 LEU 2 -0.001 5.420 1.512
23 HD22 LEU 2 1HD2 LEU 2 0.197 6.939 0.639
24 HD23 LEU 2 2HD2 LEU 2 1.452 6.391 1.750
25 H GLY 3 H GLY 3 5.265 3.707 -2.150
26 HA2 GLY 3 2HA GLY 3 7.544 4.250 -1.414
27 HA3 GLY 3 3HA GLY 3 7.230 3.275 0.014
28 H PHE 4 H PHE 4 5.795 1.284 -1.752
29 HA PHE 4 HA PHE 4 8.162 -0.261 -2.399
30 HB2 PHE 4 2HB PHE 4 6.870 -2.028 -1.923
31 HB3 PHE 4 3HB PHE 4 5.605 -0.892 -1.467
32 HD1 PHE 4 HD2 PHE 4 6.897 -3.005 -4.190
33 HD2 PHE 4 HD1 PHE 4 3.677 -0.586 -2.813
34 HE1 PHE 4 HE2 PHE 4 5.480 -3.863 -6.009
35 HE2 PHE 4 HE1 PHE 4 2.254 -1.441 -4.629
36 HZ PHE 4 HZ PHE 4 3.155 -3.080 -6.231
37 H PHE 5 H PHE 5 5.298 0.986 -4.080
38 HA PHE 5 HA PHE 5 6.252 0.073 -6.646
39 HB2 PHE 5 2HB PHE 5 4.240 1.171 -7.538
40 HB3 PHE 5 3HB PHE 5 3.848 0.117 -6.184
41 HD1 PHE 5 HD2 PHE 5 4.095 3.584 -7.326
42 HD2 PHE 5 HD1 PHE 5 3.058 1.014 -4.096
43 HE1 PHE 5 HE2 PHE 5 2.961 5.458 -6.204
44 HE2 PHE 5 HE1 PHE 5 1.922 2.883 -2.969
45 HZ PHE 5 HZ PHE 5 1.874 5.109 -4.022
46 H LYS 6 H LYS 6 6.384 2.970 -4.746
47 HA LYS 6 HA LYS 6 6.945 4.812 -6.818
48 HB2 LYS 6 2HB LYS 6 7.560 4.835 -3.864
49 HB3 LYS 6 3HB LYS 6 7.945 6.181 -4.929
50 HG2 LYS 6 2HG LYS 6 5.201 5.071 -4.378
51 HG3 LYS 6 3HG LYS 6 5.866 6.587 -3.766
52 HD2 LYS 6 2HD LYS 6 6.211 7.143 -6.283
53 HD3 LYS 6 3HD LYS 6 5.014 5.874 -6.545
54 HE2 LYS 6 2HE LYS 6 3.492 7.076 -4.986
55 HE3 LYS 6 3HE LYS 6 4.675 8.381 -4.903
56 HZ1 LYS 6 3HZ LYS 6 2.665 8.052 -6.776
57 HZ2 LYS 6 1HZ LYS 6 4.112 7.752 -7.600
58 HZ3 LYS 6 2HZ LYS 6 3.892 9.216 -6.782
59 H ARG 7 H ARG 7 8.969 2.695 -4.866
60 HA ARG 7 HA ARG 7 11.420 3.771 -5.958
61 HB2 ARG 7 2HB ARG 7 11.062 2.759 -3.604
62 HB3 ARG 7 3HB ARG 7 11.195 1.203 -4.413
63 HG2 ARG 7 2HG ARG 7 13.383 2.534 -5.365
64 HG3 ARG 7 3HG ARG 7 13.260 3.139 -3.712
65 HD2 ARG 7 2HD ARG 7 12.928 0.607 -3.135
66 HD3 ARG 7 3HD ARG 7 13.717 0.357 -4.692
67 HE ARG 7 HE ARG 7 15.289 2.153 -3.297
68 HH11 ARG 7 1HH1 ARG 7 14.187 -1.127 -2.909
69 HH12 ARG 7 2HH1 ARG 7 15.586 -1.629 -2.018
70 HH21 ARG 7 1HH2 ARG 7 17.135 1.504 -2.125
71 HH22 ARG 7 2HH2 ARG 7 17.261 -0.131 -1.572
72 H GLN 8 H GLN 8 9.305 1.037 -6.501
73 HA GLN 8 HA GLN 8 11.136 -0.340 -8.235
74 HB2 GLN 8 2HB GLN 8 8.950 -1.127 -6.831
75 HB3 GLN 8 3HB GLN 8 8.258 -0.959 -8.439
76 HG2 GLN 8 2HG GLN 8 10.672 -2.334 -8.784
77 HG3 GLN 8 3HG GLN 8 9.900 -3.049 -7.370
78 HE21 GLN 8 1HE2 GLN 8 9.798 -2.635 -10.780
79 HE22 GLN 8 2HE2 GLN 8 8.455 -3.676 -11.089
80 H TYR 9 H TYR 9 8.759 2.135 -8.576
81 HA TYR 9 HA TYR 9 8.437 1.772 -11.426
82 HB2 TYR 9 2HB TYR 9 7.392 3.742 -9.416
83 HB3 TYR 9 3HB TYR 9 7.241 4.066 -11.140
84 HD1 TYR 9 HD2 TYR 9 7.111 0.606 -10.062
85 HD2 TYR 9 HD1 TYR 9 4.778 4.079 -10.836
86 HE1 TYR 9 HE2 TYR 9 5.082 -0.782 -10.142
87 HE2 TYR 9 HE1 TYR 9 2.743 2.701 -10.917
88 HH TYR 9 HH TYR 9 1.926 0.621 -10.930
89 H LYS 10 H LYS 10 10.258 3.822 -9.241
90 HA LYS 10 HA LYS 10 11.200 5.589 -11.299
91 HB2 LYS 10 2HB LYS 10 10.958 6.185 -8.853
92 HB3 LYS 10 3HB LYS 10 12.376 5.189 -8.547
93 HG2 LYS 10 2HG LYS 10 13.764 6.623 -9.834
94 HG3 LYS 10 3HG LYS 10 12.372 7.514 -10.453
95 HD2 LYS 10 2HD LYS 10 12.458 7.476 -7.549
96 HD3 LYS 10 3HD LYS 10 13.911 8.189 -8.254
97 HE2 LYS 10 2HE LYS 10 12.579 9.756 -9.517
98 HE3 LYS 10 3HE LYS 10 11.091 8.985 -8.968
99 HZ1 LYS 10 3HZ LYS 10 13.002 10.097 -7.018
100 HZ2 LYS 10 1HZ LYS 10 11.341 9.823 -6.845
101 HZ3 LYS 10 2HZ LYS 10 11.892 11.108 -7.796
102 H ASP 11 H ASP 11 12.157 2.538 -10.024
103 HA ASP 11 HA ASP 11 14.894 2.699 -10.907
104 HB2 ASP 11 2HB ASP 11 13.794 1.219 -9.011
105 HB3 ASP 11 3HB ASP 11 13.558 0.088 -10.341
106 H MET 12 H MET 12 11.881 1.314 -12.100
107 HA MET 12 HA MET 12 13.055 -0.055 -14.303
108 HB2 MET 12 2HB MET 12 10.574 -0.039 -13.111
109 HB3 MET 12 3HB MET 12 10.265 0.772 -14.640
110 HG2 MET 12 2HG MET 12 11.340 -1.152 -15.798
111 HG3 MET 12 3HG MET 12 11.429 -1.970 -14.240
112 HE1 MET 12 3HE MET 12 7.975 -1.096 -16.948
113 HE2 MET 12 1HE MET 12 7.876 0.046 -15.607
114 HE3 MET 12 2HE MET 12 9.342 -0.042 -16.583
115 H MET 13 H MET 13 11.763 3.167 -13.811
116 HA MET 13 HA MET 13 11.777 3.860 -16.596
117 HB2 MET 13 2HB MET 13 11.091 6.019 -15.913
118 HB3 MET 13 3HB MET 13 10.305 4.900 -14.807
119 HG2 MET 13 2HG MET 13 11.982 5.368 -13.113
120 HG3 MET 13 3HG MET 13 12.814 6.455 -14.223
121 HE1 MET 13 3HE MET 13 11.015 9.694 -14.055
122 HE2 MET 13 1HE MET 13 12.580 8.993 -13.638
123 HE3 MET 13 2HE MET 13 11.821 8.599 -15.180
124 H SEP 14 H SER 14 14.199 3.395 -14.377
125 HA SEP 14 HA SER 14 15.950 5.467 -15.477
126 HB2 SEP 14 2HB SER 14 15.970 3.783 -13.023
127 HB3 SEP 14 3HB SER 14 17.532 4.261 -13.687
128 H GLU 15 H GLU 15 15.563 1.979 -15.310
129 HA GLU 15 HA GLU 15 17.952 1.614 -16.972
130 HB2 GLU 15 2HB GLU 15 16.360 -0.183 -15.189
131 HB3 GLU 15 3HB GLU 15 17.291 -0.891 -16.502
132 HG2 GLU 15 2HG GLU 15 19.117 -0.803 -15.267
133 HG3 GLU 15 3HG GLU 15 18.965 0.949 -15.149
134 H GLY 16 H GLY 16 14.471 1.129 -16.936
135 HA2 GLY 16 2HA GLY 16 12.983 0.765 -18.647
136 HA3 GLY 16 3HA GLY 16 14.262 1.247 -19.751
137 H GLY 17 H GLY 17 15.117 -1.332 -17.706
138 HA2 GLY 17 2HA GLY 17 14.424 -3.681 -18.212
139 HA3 GLY 17 3HA GLY 17 14.588 -3.236 -19.904
140 HA PRO 18 HA PRO 18 18.859 -4.220 -19.969
141 HB2 PRO 18 2HB PRO 18 20.113 -2.036 -20.985
142 HB3 PRO 18 3HB PRO 18 19.083 -3.092 -21.959
143 HG2 PRO 18 2HG PRO 18 18.434 -0.459 -20.690
144 HG3 PRO 18 3HG PRO 18 18.019 -1.054 -22.308
145 HD2 PRO 18 2HD PRO 18 16.255 -1.068 -20.255
146 HD3 PRO 18 3HD PRO 18 16.243 -2.301 -21.532
147 HA PRO 19 HA PRO 19 21.188 -2.843 -16.503
148 HB2 PRO 19 2HB PRO 19 23.749 -2.830 -17.404
149 HB3 PRO 19 3HB PRO 19 22.844 -4.318 -17.106
150 HG2 PRO 19 2HG PRO 19 23.352 -2.895 -19.690
151 HG3 PRO 19 3HG PRO 19 23.416 -4.632 -19.338
152 HD2 PRO 19 2HD PRO 19 21.293 -3.469 -20.552
153 HD3 PRO 19 3HD PRO 19 21.128 -4.873 -19.477
154 H GLY 20 H GLY 20 19.999 -0.651 -17.210
155 HA2 GLY 20 2HA GLY 20 20.181 1.636 -17.007
156 HA3 GLY 20 3HA GLY 20 21.898 1.416 -16.701
157 H ALA 21 H ALA 21 20.038 0.465 -19.560
158 HA ALA 21 HA ALA 21 21.911 1.994 -21.206
159 HB1 ALA 21 1HB ALA 21 19.819 0.230 -22.383
160 HB2 ALA 21 2HB ALA 21 21.465 0.552 -22.931
161 HB3 ALA 21 3HB ALA 21 21.187 -0.507 -21.548
162 H GLU 22 H GLU 22 18.405 1.323 -21.342
163 HA GLU 22 HA GLU 22 18.020 4.086 -22.287
164 HB2 GLU 22 2HB GLU 22 17.368 1.899 -23.672
165 HB3 GLU 22 3HB GLU 22 15.908 2.032 -22.701
166 HG2 GLU 22 2HG GLU 22 15.761 4.429 -23.492
167 HG3 GLU 22 3HG GLU 22 17.021 4.019 -24.655
168 HA PRO 23 HA PRO 23 16.028 4.467 -18.277
169 HB2 PRO 23 2HB PRO 23 15.734 7.162 -18.424
170 HB3 PRO 23 3HB PRO 23 17.261 6.385 -17.989
171 HG2 PRO 23 2HG PRO 23 16.386 7.499 -20.626
172 HG3 PRO 23 3HG PRO 23 17.954 7.650 -19.813
173 HD2 PRO 23 2HD PRO 23 17.518 5.887 -21.821
174 HD3 PRO 23 3HD PRO 23 18.649 5.560 -20.492
175 H GLN 24 H GLN 24 13.992 3.695 -18.337
176 HA GLN 24 HA GLN 24 12.048 4.653 -20.232
177 HB2 GLN 24 2HB GLN 24 12.206 2.508 -18.211
178 HB3 GLN 24 3HB GLN 24 10.599 3.172 -18.476
179 HG2 GLN 24 2HG GLN 24 12.380 2.120 -20.660
180 HG3 GLN 24 3HG GLN 24 11.122 1.182 -19.857
181 HE21 GLN 24 1HE2 GLN 24 10.800 1.267 -22.418
182 HE22 GLN 24 2HE2 GLN 24 9.591 2.397 -22.913
Start of MODEL 11
1 H1 LYS 1 H LYS 1 1.421 0.797 0.648
2 HA LYS 1 HA LYS 1 2.496 -0.673 -1.320
3 HB2 LYS 1 2HB LYS 1 1.142 0.912 -3.219
4 HB3 LYS 1 3HB LYS 1 1.071 -0.835 -3.029
5 HG2 LYS 1 2HG LYS 1 -1.156 -0.095 -2.992
6 HG3 LYS 1 3HG LYS 1 -0.744 -0.443 -1.312
7 HD2 LYS 1 2HD LYS 1 -0.625 1.813 -0.746
8 HD3 LYS 1 3HD LYS 1 -0.428 2.322 -2.425
9 HE2 LYS 1 2HE LYS 1 -2.617 2.668 -2.555
10 HE3 LYS 1 3HE LYS 1 -2.893 0.954 -2.251
11 HZ1 LYS 1 3HZ LYS 1 -2.415 2.826 -0.021
12 HZ2 LYS 1 1HZ LYS 1 -3.182 1.318 0.005
13 HZ3 LYS 1 2HZ LYS 1 -3.960 2.651 -0.687
14 H LEU 2 H LEU 2 1.433 2.522 -0.412
15 HA LEU 2 HA LEU 2 3.028 4.150 -1.956
16 HB2 LEU 2 2HB LEU 2 2.055 4.357 0.865
17 HB3 LEU 2 3HB LEU 2 3.115 5.597 0.197
18 HG LEU 2 HG LEU 2 1.494 6.265 -1.388
19 HD11 LEU 2 1HD1 LEU 2 0.758 4.052 -2.095
20 HD12 LEU 2 2HD1 LEU 2 -0.619 5.091 -1.728
21 HD13 LEU 2 3HD1 LEU 2 -0.120 3.850 -0.579
22 HD21 LEU 2 3HD2 LEU 2 -0.356 5.724 0.867
23 HD22 LEU 2 1HD2 LEU 2 -0.025 7.227 0.005
24 HD23 LEU 2 2HD2 LEU 2 1.114 6.636 1.215
25 H GLY 3 H GLY 3 5.118 3.816 -2.386
26 HA2 GLY 3 2HA GLY 3 7.356 4.323 -1.509
27 HA3 GLY 3 3HA GLY 3 6.925 3.383 -0.088
28 H PHE 4 H PHE 4 5.564 1.390 -1.910
29 HA PHE 4 HA PHE 4 7.932 -0.219 -2.369
30 HB2 PHE 4 2HB PHE 4 6.571 -1.948 -1.950
31 HB3 PHE 4 3HB PHE 4 5.305 -0.775 -1.599
32 HD1 PHE 4 HD1 PHE 4 6.726 -2.968 -4.193
33 HD2 PHE 4 HD2 PHE 4 3.478 -0.453 -3.077
34 HE1 PHE 4 HE1 PHE 4 5.412 -3.829 -6.087
35 HE2 PHE 4 HE2 PHE 4 2.160 -1.311 -4.968
36 HZ PHE 4 HZ PHE 4 3.126 -3.002 -6.476
37 H PHE 5 H PHE 5 5.215 1.057 -4.261
38 HA PHE 5 HA PHE 5 6.316 0.074 -6.740
39 HB2 PHE 5 2HB PHE 5 4.394 1.199 -7.784
40 HB3 PHE 5 3HB PHE 5 3.889 0.181 -6.440
41 HD1 PHE 5 HD1 PHE 5 4.292 3.618 -7.626
42 HD2 PHE 5 HD2 PHE 5 2.984 1.136 -4.425
43 HE1 PHE 5 HE1 PHE 5 3.132 5.538 -6.616
44 HE2 PHE 5 HE2 PHE 5 1.821 3.052 -3.411
45 HZ PHE 5 HZ PHE 5 1.893 5.256 -4.506
46 H LYS 6 H LYS 6 6.389 3.004 -4.889
47 HA LYS 6 HA LYS 6 7.130 4.792 -6.952
48 HB2 LYS 6 2HB LYS 6 7.546 4.861 -3.964
49 HB3 LYS 6 3HB LYS 6 8.032 6.176 -5.026
50 HG2 LYS 6 2HG LYS 6 5.232 5.137 -4.642
51 HG3 LYS 6 3HG LYS 6 5.888 6.649 -4.012
52 HD2 LYS 6 2HD LYS 6 6.417 7.150 -6.510
53 HD3 LYS 6 3HD LYS 6 5.209 5.903 -6.829
54 HE2 LYS 6 2HE LYS 6 4.023 7.933 -6.846
55 HE3 LYS 6 3HE LYS 6 3.677 7.209 -5.277
56 HZ1 LYS 6 3HZ LYS 6 4.271 9.198 -4.489
57 HZ2 LYS 6 1HZ LYS 6 5.075 9.650 -5.907
58 HZ3 LYS 6 2HZ LYS 6 5.862 8.691 -4.757
59 H ARG 7 H ARG 7 8.967 2.669 -4.830
60 HA ARG 7 HA ARG 7 11.511 3.670 -5.770
61 HB2 ARG 7 2HB ARG 7 11.242 2.879 -3.452
62 HB3 ARG 7 3HB ARG 7 10.872 1.267 -4.050
63 HG2 ARG 7 2HG ARG 7 13.164 1.339 -5.165
64 HG3 ARG 7 3HG ARG 7 13.481 2.738 -4.138
65 HD2 ARG 7 2HD ARG 7 13.035 1.400 -2.153
66 HD3 ARG 7 3HD ARG 7 12.659 0.005 -3.164
67 HE ARG 7 HE ARG 7 15.291 1.098 -3.586
68 HH11 ARG 7 1HH1 ARG 7 13.359 -1.137 -1.743
69 HH12 ARG 7 2HH1 ARG 7 14.701 -2.145 -1.314
70 HH21 ARG 7 1HH2 ARG 7 17.065 -0.221 -3.027
71 HH22 ARG 7 2HH2 ARG 7 16.809 -1.623 -2.044
72 H GLN 8 H GLN 8 9.374 0.973 -6.409
73 HA GLN 8 HA GLN 8 11.287 -0.474 -7.992
74 HB2 GLN 8 2HB GLN 8 8.991 -1.187 -6.725
75 HB3 GLN 8 3HB GLN 8 8.418 -1.041 -8.381
76 HG2 GLN 8 2HG GLN 8 9.657 -2.804 -9.118
77 HG3 GLN 8 3HG GLN 8 10.910 -2.576 -7.899
78 HE21 GLN 8 1HE2 GLN 8 10.471 -3.270 -5.741
79 HE22 GLN 8 2HE2 GLN 8 9.341 -4.544 -5.449
80 H TYR 9 H TYR 9 8.995 2.044 -8.534
81 HA TYR 9 HA TYR 9 8.852 1.633 -11.392
82 HB2 TYR 9 2HB TYR 9 7.724 3.664 -9.490
83 HB3 TYR 9 3HB TYR 9 7.695 3.960 -11.225
84 HD1 TYR 9 HD2 TYR 9 7.410 0.525 -10.092
85 HD2 TYR 9 HD1 TYR 9 5.220 4.032 -11.094
86 HE1 TYR 9 HE2 TYR 9 5.359 -0.818 -10.283
87 HE2 TYR 9 HE1 TYR 9 3.162 2.699 -11.288
88 HH TYR 9 HH TYR 9 2.957 -0.533 -10.192
89 H LYS 10 H LYS 10 10.578 3.678 -9.128
90 HA LYS 10 HA LYS 10 11.691 5.390 -11.146
91 HB2 LYS 10 2HB LYS 10 11.334 6.121 -8.799
92 HB3 LYS 10 3HB LYS 10 12.572 4.984 -8.282
93 HG2 LYS 10 2HG LYS 10 14.180 6.437 -8.730
94 HG3 LYS 10 3HG LYS 10 13.584 6.671 -10.375
95 HD2 LYS 10 2HD LYS 10 12.534 8.590 -9.848
96 HD3 LYS 10 3HD LYS 10 11.964 7.965 -8.299
97 HE2 LYS 10 2HE LYS 10 13.968 8.515 -7.215
98 HE3 LYS 10 3HE LYS 10 14.843 8.696 -8.735
99 HZ1 LYS 10 3HZ LYS 10 13.025 10.568 -9.064
100 HZ2 LYS 10 1HZ LYS 10 14.485 10.865 -8.262
101 HZ3 LYS 10 2HZ LYS 10 13.077 10.576 -7.373
102 H ASP 11 H ASP 11 12.507 2.347 -9.744
103 HA ASP 11 HA ASP 11 15.292 2.421 -10.448
104 HB2 ASP 11 2HB ASP 11 13.442 0.240 -9.496
105 HB3 ASP 11 3HB ASP 11 15.107 -0.091 -9.964
106 H MET 12 H MET 12 12.325 1.267 -11.915
107 HA MET 12 HA MET 12 13.708 -0.086 -14.063
108 HB2 MET 12 2HB MET 12 11.424 -0.461 -14.961
109 HB3 MET 12 3HB MET 12 11.615 -1.023 -13.306
110 HG2 MET 12 2HG MET 12 10.501 0.979 -12.484
111 HG3 MET 12 3HG MET 12 10.333 1.570 -14.135
112 HE1 MET 12 3HE MET 12 9.280 -2.510 -13.299
113 HE2 MET 12 1HE MET 12 10.042 -1.483 -12.084
114 HE3 MET 12 2HE MET 12 8.313 -1.816 -11.996
115 H MET 13 H MET 13 12.347 3.039 -13.440
116 HA MET 13 HA MET 13 12.081 3.853 -16.162
117 HB2 MET 13 2HB MET 13 11.906 5.152 -13.501
118 HB3 MET 13 3HB MET 13 12.278 6.200 -14.864
119 HG2 MET 13 2HG MET 13 10.091 4.399 -15.452
120 HG3 MET 13 3HG MET 13 9.772 5.391 -14.031
121 HE1 MET 13 3HE MET 13 7.848 7.816 -15.833
122 HE2 MET 13 1HE MET 13 7.692 6.237 -16.603
123 HE3 MET 13 2HE MET 13 7.896 6.349 -14.854
124 H SEP 14 H SER 14 14.751 3.297 -14.217
125 HA SEP 14 HA SER 14 16.421 5.289 -15.563
126 HB2 SEP 14 2HB SER 14 16.642 5.040 -13.109
127 HB3 SEP 14 3HB SER 14 17.134 3.362 -13.337
128 H GLU 15 H GLU 15 15.915 1.829 -15.308
129 HA GLU 15 HA GLU 15 18.181 1.262 -17.046
130 HB2 GLU 15 2HB GLU 15 17.452 -1.126 -16.727
131 HB3 GLU 15 3HB GLU 15 17.912 -0.285 -15.253
132 HG2 GLU 15 2HG GLU 15 15.606 0.029 -14.651
133 HG3 GLU 15 3HG GLU 15 15.076 -0.657 -16.185
134 H GLY 16 H GLY 16 14.654 1.172 -17.098
135 HA2 GLY 16 2HA GLY 16 13.160 0.979 -18.829
136 HA3 GLY 16 3HA GLY 16 14.428 1.670 -19.832
137 H GLY 17 H GLY 17 15.120 -1.288 -18.202
138 HA2 GLY 17 2HA GLY 17 14.463 -3.476 -19.191
139 HA3 GLY 17 3HA GLY 17 14.756 -2.731 -20.756
140 HA PRO 18 HA PRO 18 18.985 -3.871 -20.715
141 HB2 PRO 18 2HB PRO 18 20.330 -1.614 -21.395
142 HB3 PRO 18 3HB PRO 18 19.335 -2.521 -22.540
143 HG2 PRO 18 2HG PRO 18 18.667 -0.043 -20.998
144 HG3 PRO 18 3HG PRO 18 18.329 -0.430 -22.696
145 HD2 PRO 18 2HD PRO 18 16.457 -0.646 -20.751
146 HD3 PRO 18 3HD PRO 18 16.491 -1.716 -22.166
147 HA PRO 19 HA PRO 19 21.163 -2.971 -17.002
148 HB2 PRO 19 2HB PRO 19 23.765 -2.876 -17.771
149 HB3 PRO 19 3HB PRO 19 22.836 -4.379 -17.708
150 HG2 PRO 19 2HG PRO 19 23.479 -2.647 -20.064
151 HG3 PRO 19 3HG PRO 19 23.514 -4.415 -19.932
152 HD2 PRO 19 2HD PRO 19 21.461 -3.081 -21.088
153 HD3 PRO 19 3HD PRO 19 21.234 -4.607 -20.209
154 H GLY 20 H GLY 20 20.026 -0.693 -17.467
155 HA2 GLY 20 2HA GLY 20 20.198 1.556 -17.021
156 HA3 GLY 20 3HA GLY 20 21.875 1.269 -16.578
157 H ALA 21 H ALA 21 20.250 0.754 -19.689
158 HA ALA 21 HA ALA 21 22.310 2.400 -20.958
159 HB1 ALA 21 1HB ALA 21 21.680 0.016 -21.707
160 HB2 ALA 21 2HB ALA 21 20.273 0.784 -22.444
161 HB3 ALA 21 3HB ALA 21 21.897 1.259 -22.940
162 H GLU 22 H GLU 22 18.846 1.856 -21.615
163 HA GLU 22 HA GLU 22 18.585 4.756 -22.071
164 HB2 GLU 22 2HB GLU 22 17.665 2.424 -23.604
165 HB3 GLU 22 3HB GLU 22 16.430 3.650 -23.351
166 HG2 GLU 22 2HG GLU 22 17.932 5.340 -24.302
167 HG3 GLU 22 3HG GLU 22 19.137 4.087 -24.593
168 HA PRO 23 HA PRO 23 15.655 4.917 -18.796
169 HB2 PRO 23 2HB PRO 23 14.238 7.100 -19.569
170 HB3 PRO 23 3HB PRO 23 15.875 7.201 -18.909
171 HG2 PRO 23 2HG PRO 23 14.975 7.278 -21.763
172 HG3 PRO 23 3HG PRO 23 16.191 8.277 -20.946
173 HD2 PRO 23 2HD PRO 23 16.850 6.168 -22.512
174 HD3 PRO 23 3HD PRO 23 17.815 6.648 -21.101
175 H GLN 24 H GLN 24 13.748 3.973 -18.361
176 HA GLN 24 HA GLN 24 12.299 2.373 -19.862
177 HB2 GLN 24 2HB GLN 24 11.630 2.651 -17.605
178 HB3 GLN 24 3HB GLN 24 11.243 4.349 -17.849
179 HG2 GLN 24 2HG GLN 24 9.236 3.894 -18.851
180 HG3 GLN 24 3HG GLN 24 9.748 2.299 -19.401
181 HE21 GLN 24 1HE2 GLN 24 10.051 0.655 -17.709
182 HE22 GLN 24 2HE2 GLN 24 8.982 0.671 -16.351
Start of MODEL 12
1 H1 LYS 1 H LYS 1 0.592 0.822 0.577
2 HA LYS 1 HA LYS 1 2.357 -0.775 -1.161
3 HB2 LYS 1 2HB LYS 1 1.152 0.589 -3.035
4 HB3 LYS 1 3HB LYS 1 0.378 -0.838 -2.359
5 HG2 LYS 1 2HG LYS 1 -1.364 0.345 -1.675
6 HG3 LYS 1 3HG LYS 1 -0.325 1.509 -0.849
7 HD2 LYS 1 2HD LYS 1 -1.165 2.939 -2.381
8 HD3 LYS 1 3HD LYS 1 0.081 2.237 -3.416
9 HE2 LYS 1 2HE LYS 1 -2.103 0.502 -3.596
10 HE3 LYS 1 3HE LYS 1 -2.791 2.124 -3.657
11 HZ1 LYS 1 3HZ LYS 1 -0.495 1.333 -5.347
12 HZ2 LYS 1 1HZ LYS 1 -1.529 2.659 -5.536
13 HZ3 LYS 1 2HZ LYS 1 -2.095 1.095 -5.842
14 H LEU 2 H LEU 2 1.397 2.430 -0.069
15 HA LEU 2 HA LEU 2 3.038 4.046 -1.574
16 HB2 LEU 2 2HB LEU 2 2.079 4.213 1.254
17 HB3 LEU 2 3HB LEU 2 3.173 5.437 0.613
18 HG LEU 2 HG LEU 2 1.569 6.195 -0.945
19 HD11 LEU 2 1HD1 LEU 2 -0.104 3.798 -0.207
20 HD12 LEU 2 2HD1 LEU 2 0.772 4.029 -1.720
21 HD13 LEU 2 3HD1 LEU 2 -0.578 5.089 -1.313
22 HD21 LEU 2 3HD2 LEU 2 1.202 6.514 1.660
23 HD22 LEU 2 1HD2 LEU 2 -0.285 5.634 1.305
24 HD23 LEU 2 2HD2 LEU 2 0.062 7.149 0.472
25 H GLY 3 H GLY 3 5.117 3.671 -2.017
26 HA2 GLY 3 2HA GLY 3 7.370 4.090 -1.132
27 HA3 GLY 3 3HA GLY 3 6.916 3.121 0.262
28 H PHE 4 H PHE 4 5.495 1.225 -1.624
29 HA PHE 4 HA PHE 4 7.813 -0.441 -2.127
30 HB2 PHE 4 2HB PHE 4 6.395 -2.140 -1.778
31 HB3 PHE 4 3HB PHE 4 5.169 -0.939 -1.386
32 HD1 PHE 4 HD1 PHE 4 6.519 -3.086 -4.053
33 HD2 PHE 4 HD2 PHE 4 3.359 -0.499 -2.856
34 HE1 PHE 4 HE1 PHE 4 5.183 -3.833 -5.979
35 HE2 PHE 4 HE2 PHE 4 2.017 -1.242 -4.779
36 HZ PHE 4 HZ PHE 4 2.928 -2.912 -6.343
37 H PHE 5 H PHE 5 5.152 0.985 -3.990
38 HA PHE 5 HA PHE 5 6.233 0.047 -6.495
39 HB2 PHE 5 2HB PHE 5 4.359 1.273 -7.510
40 HB3 PHE 5 3HB PHE 5 3.809 0.233 -6.201
41 HD1 PHE 5 HD1 PHE 5 4.320 3.683 -7.293
42 HD2 PHE 5 HD2 PHE 5 2.953 1.164 -4.146
43 HE1 PHE 5 HE1 PHE 5 3.226 5.612 -6.228
44 HE2 PHE 5 HE2 PHE 5 1.855 3.089 -3.077
45 HZ PHE 5 HZ PHE 5 1.990 5.317 -4.119
46 H LYS 6 H LYS 6 6.387 2.918 -4.552
47 HA LYS 6 HA LYS 6 7.210 4.740 -6.551
48 HB2 LYS 6 2HB LYS 6 6.670 4.842 -3.809
49 HB3 LYS 6 3HB LYS 6 8.362 5.303 -3.950
50 HG2 LYS 6 2HG LYS 6 6.968 7.265 -4.017
51 HG3 LYS 6 3HG LYS 6 7.735 7.026 -5.589
52 HD2 LYS 6 2HD LYS 6 5.654 5.953 -6.394
53 HD3 LYS 6 3HD LYS 6 4.899 6.315 -4.840
54 HE2 LYS 6 2HE LYS 6 4.617 8.492 -5.343
55 HE3 LYS 6 3HE LYS 6 6.170 8.607 -6.170
56 HZ1 LYS 6 3HZ LYS 6 5.003 7.235 -7.981
57 HZ2 LYS 6 1HZ LYS 6 4.641 8.884 -7.861
58 HZ3 LYS 6 2HZ LYS 6 3.566 7.735 -7.242
59 H ARG 7 H ARG 7 8.958 2.489 -4.486
60 HA ARG 7 HA ARG 7 11.541 3.428 -5.379
61 HB2 ARG 7 2HB ARG 7 11.410 2.626 -3.124
62 HB3 ARG 7 3HB ARG 7 10.689 1.109 -3.645
63 HG2 ARG 7 2HG ARG 7 13.036 0.845 -3.022
64 HG3 ARG 7 3HG ARG 7 12.760 0.462 -4.722
65 HD2 ARG 7 2HD ARG 7 13.681 2.543 -5.421
66 HD3 ARG 7 3HD ARG 7 13.716 3.151 -3.767
67 HE ARG 7 HE ARG 7 15.285 0.806 -4.000
68 HH11 ARG 7 1HH1 ARG 7 15.277 4.197 -4.788
69 HH12 ARG 7 2HH1 ARG 7 17.003 4.340 -4.769
70 HH21 ARG 7 1HH2 ARG 7 17.560 0.981 -3.972
71 HH22 ARG 7 2HH2 ARG 7 18.301 2.509 -4.305
72 H GLN 8 H GLN 8 9.319 0.826 -6.116
73 HA GLN 8 HA GLN 8 11.189 -0.631 -7.738
74 HB2 GLN 8 2HB GLN 8 8.866 -1.308 -6.507
75 HB3 GLN 8 3HB GLN 8 8.303 -1.082 -8.158
76 HG2 GLN 8 2HG GLN 8 10.753 -2.660 -7.941
77 HG3 GLN 8 3HG GLN 8 9.354 -3.381 -7.148
78 HE21 GLN 8 1HE2 GLN 8 7.641 -4.091 -8.368
79 HE22 GLN 8 2HE2 GLN 8 7.700 -4.219 -10.089
80 H TYR 9 H TYR 9 8.998 1.987 -8.206
81 HA TYR 9 HA TYR 9 8.846 1.675 -11.076
82 HB2 TYR 9 2HB TYR 9 7.805 3.693 -9.112
83 HB3 TYR 9 3HB TYR 9 7.789 4.042 -10.837
84 HD1 TYR 9 HD1 TYR 9 7.360 0.588 -9.817
85 HD2 TYR 9 HD2 TYR 9 5.318 4.217 -10.694
86 HE1 TYR 9 HE1 TYR 9 5.252 -0.660 -10.046
87 HE2 TYR 9 HE2 TYR 9 3.205 2.979 -10.925
88 HH TYR 9 HH TYR 9 3.053 -0.520 -10.352
89 H LYS 10 H LYS 10 10.637 3.595 -8.746
90 HA LYS 10 HA LYS 10 11.816 5.341 -10.679
91 HB2 LYS 10 2HB LYS 10 12.150 4.814 -7.772
92 HB3 LYS 10 3HB LYS 10 13.497 5.572 -8.609
93 HG2 LYS 10 2HG LYS 10 11.902 7.310 -9.433
94 HG3 LYS 10 3HG LYS 10 10.678 6.597 -8.379
95 HD2 LYS 10 2HD LYS 10 11.782 7.245 -6.446
96 HD3 LYS 10 3HD LYS 10 13.339 7.395 -7.265
97 HE2 LYS 10 2HE LYS 10 12.980 9.559 -7.602
98 HE3 LYS 10 3HE LYS 10 11.488 9.199 -8.468
99 HZ1 LYS 10 3HZ LYS 10 11.875 10.037 -5.707
100 HZ2 LYS 10 1HZ LYS 10 10.653 8.898 -5.980
101 HZ3 LYS 10 2HZ LYS 10 10.614 10.388 -6.779
102 H ASP 11 H ASP 11 12.577 2.209 -9.388
103 HA ASP 11 HA ASP 11 15.322 2.181 -10.176
104 HB2 ASP 11 2HB ASP 11 13.372 0.219 -9.104
105 HB3 ASP 11 3HB ASP 11 14.730 -0.439 -10.013
106 H MET 12 H MET 12 12.303 1.054 -11.628
107 HA MET 12 HA MET 12 13.623 -0.084 -13.916
108 HB2 MET 12 2HB MET 12 11.125 -0.370 -12.754
109 HB3 MET 12 3HB MET 12 10.784 0.499 -14.245
110 HG2 MET 12 2HG MET 12 12.041 -1.251 -15.481
111 HG3 MET 12 3HG MET 12 12.192 -2.144 -13.969
112 HE1 MET 12 3HE MET 12 10.382 -3.669 -16.634
113 HE2 MET 12 1HE MET 12 9.137 -2.480 -17.023
114 HE3 MET 12 2HE MET 12 10.836 -2.007 -17.015
115 H MET 13 H MET 13 12.448 3.015 -13.009
116 HA MET 13 HA MET 13 12.084 4.018 -15.676
117 HB2 MET 13 2HB MET 13 11.955 5.125 -12.925
118 HB3 MET 13 3HB MET 13 12.302 6.263 -14.220
119 HG2 MET 13 2HG MET 13 10.229 5.045 -15.334
120 HG3 MET 13 3HG MET 13 9.835 4.731 -13.645
121 HE1 MET 13 3HE MET 13 8.046 7.667 -12.577
122 HE2 MET 13 1HE MET 13 7.456 6.440 -13.698
123 HE3 MET 13 2HE MET 13 8.542 5.985 -12.385
124 H SEP 14 H SER 14 14.776 3.246 -13.881
125 HA SEP 14 HA SER 14 16.445 5.354 -15.039
126 HB2 SEP 14 2HB SER 14 16.542 4.504 -12.556
127 HB3 SEP 14 3HB SER 14 17.515 3.204 -13.245
128 H GLU 15 H GLU 15 15.918 1.885 -15.116
129 HA GLU 15 HA GLU 15 18.048 1.579 -17.107
130 HB2 GLU 15 2HB GLU 15 16.577 -0.335 -15.329
131 HB3 GLU 15 3HB GLU 15 17.377 -0.923 -16.780
132 HG2 GLU 15 2HG GLU 15 19.288 -1.008 -15.682
133 HG3 GLU 15 3HG GLU 15 19.217 0.735 -15.429
134 H GLY 16 H GLY 16 14.580 1.245 -16.652
135 HA2 GLY 16 2HA GLY 16 12.870 1.124 -18.182
136 HA3 GLY 16 3HA GLY 16 14.034 1.613 -19.405
137 H GLY 17 H GLY 17 14.995 -1.155 -17.701
138 HA2 GLY 17 2HA GLY 17 14.088 -3.419 -18.257
139 HA3 GLY 17 3HA GLY 17 14.032 -2.854 -19.920
140 HA PRO 18 HA PRO 18 18.181 -4.041 -20.690
141 HB2 PRO 18 2HB PRO 18 19.414 -1.847 -21.708
142 HB3 PRO 18 3HB PRO 18 18.191 -2.762 -22.598
143 HG2 PRO 18 2HG PRO 18 17.898 -0.216 -21.050
144 HG3 PRO 18 3HG PRO 18 17.220 -0.649 -22.631
145 HD2 PRO 18 2HD PRO 18 15.769 -0.746 -20.347
146 HD3 PRO 18 3HD PRO 18 15.496 -1.863 -21.699
147 HA PRO 19 HA PRO 19 21.062 -3.088 -17.507
148 HB2 PRO 19 2HB PRO 19 23.465 -3.135 -18.771
149 HB3 PRO 19 3HB PRO 19 22.516 -4.593 -18.456
150 HG2 PRO 19 2HG PRO 19 22.743 -2.987 -20.972
151 HG3 PRO 19 3HG PRO 19 22.744 -4.748 -20.765
152 HD2 PRO 19 2HD PRO 19 20.550 -3.376 -21.564
153 HD3 PRO 19 3HD PRO 19 20.448 -4.854 -20.586
154 H GLY 20 H GLY 20 19.928 -0.783 -17.871
155 HA2 GLY 20 2HA GLY 20 20.286 1.466 -17.521
156 HA3 GLY 20 3HA GLY 20 22.011 1.130 -17.491
157 H ALA 21 H ALA 21 19.702 0.523 -20.106
158 HA ALA 21 HA ALA 21 21.414 2.082 -21.892
159 HB1 ALA 21 1HB ALA 21 20.629 0.819 -23.635
160 HB2 ALA 21 2HB ALA 21 20.486 -0.338 -22.311
161 HB3 ALA 21 3HB ALA 21 19.063 0.540 -22.874
162 H GLU 22 H GLU 22 17.889 1.619 -21.539
163 HA GLU 22 HA GLU 22 17.553 4.465 -22.222
164 HB2 GLU 22 2HB GLU 22 16.022 2.020 -22.935
165 HB3 GLU 22 3HB GLU 22 15.096 3.488 -22.656
166 HG2 GLU 22 2HG GLU 22 15.458 3.746 -24.866
167 HG3 GLU 22 3HG GLU 22 16.943 4.494 -24.280
168 HA PRO 23 HA PRO 23 16.235 4.651 -17.930
169 HB2 PRO 23 2HB PRO 23 16.116 7.362 -17.847
170 HB3 PRO 23 3HB PRO 23 17.631 6.463 -17.712
171 HG2 PRO 23 2HG PRO 23 16.445 7.830 -20.097
172 HG3 PRO 23 3HG PRO 23 18.127 7.821 -19.533
173 HD2 PRO 23 2HD PRO 23 17.262 6.249 -21.561
174 HD3 PRO 23 3HD PRO 23 18.557 5.752 -20.453
175 H GLN 24 H GLN 24 14.161 3.965 -17.794
176 HA GLN 24 HA GLN 24 12.031 5.240 -19.250
177 HB2 GLN 24 2HB GLN 24 12.327 2.869 -17.511
178 HB3 GLN 24 3HB GLN 24 10.745 3.636 -17.489
179 HG2 GLN 24 2HG GLN 24 10.699 3.462 -19.969
180 HG3 GLN 24 3HG GLN 24 12.197 2.537 -19.882
181 HE21 GLN 24 1HE2 GLN 24 11.243 0.718 -20.781
182 HE22 GLN 24 2HE2 GLN 24 10.132 -0.271 -19.902
Start of MODEL 13
1 H1 LYS 1 H LYS 1 1.265 0.433 0.651
2 HA LYS 1 HA LYS 1 2.207 -0.491 -1.408
3 HB2 LYS 1 2HB LYS 1 0.941 1.121 -3.343
4 HB3 LYS 1 3HB LYS 1 0.828 -0.624 -3.155
5 HG2 LYS 1 2HG LYS 1 -1.383 0.164 -3.181
6 HG3 LYS 1 3HG LYS 1 -1.026 -0.192 -1.489
7 HD2 LYS 1 2HD LYS 1 -0.871 2.063 -0.922
8 HD3 LYS 1 3HD LYS 1 -0.622 2.565 -2.596
9 HE2 LYS 1 2HE LYS 1 -3.046 1.472 -2.842
10 HE3 LYS 1 3HE LYS 1 -3.129 1.939 -1.144
11 HZ1 LYS 1 3HZ LYS 1 -2.185 3.900 -3.115
12 HZ2 LYS 1 1HZ LYS 1 -2.994 4.152 -1.650
13 HZ3 LYS 1 2HZ LYS 1 -3.844 3.593 -3.001
14 H LEU 2 H LEU 2 1.188 2.727 -0.531
15 HA LEU 2 HA LEU 2 2.862 4.318 -2.030
16 HB2 LEU 2 2HB LEU 2 1.813 4.550 0.762
17 HB3 LEU 2 3HB LEU 2 2.918 5.765 0.123
18 HG LEU 2 HG LEU 2 1.359 6.467 -1.507
19 HD11 LEU 2 1HD1 LEU 2 -0.769 5.337 -1.905
20 HD12 LEU 2 2HD1 LEU 2 -0.326 4.085 -0.746
21 HD13 LEU 2 3HD1 LEU 2 0.597 4.271 -2.237
22 HD21 LEU 2 3HD2 LEU 2 -0.558 5.962 0.703
23 HD22 LEU 2 1HD2 LEU 2 -0.191 7.455 -0.163
24 HD23 LEU 2 2HD2 LEU 2 0.914 6.860 1.076
25 H GLY 3 H GLY 3 4.956 3.938 -2.398
26 HA2 GLY 3 2HA GLY 3 7.178 4.397 -1.458
27 HA3 GLY 3 3HA GLY 3 6.686 3.469 -0.049
28 H PHE 4 H PHE 4 5.335 1.503 -1.908
29 HA PHE 4 HA PHE 4 7.680 -0.158 -2.297
30 HB2 PHE 4 2HB PHE 4 6.269 -1.855 -1.916
31 HB3 PHE 4 3HB PHE 4 5.020 -0.655 -1.604
32 HD1 PHE 4 HD2 PHE 4 6.468 -2.882 -4.153
33 HD2 PHE 4 HD1 PHE 4 3.244 -0.297 -3.133
34 HE1 PHE 4 HE2 PHE 4 5.192 -3.717 -6.084
35 HE2 PHE 4 HE1 PHE 4 1.962 -1.129 -5.062
36 HZ PHE 4 HZ PHE 4 2.937 -2.840 -6.541
37 H PHE 5 H PHE 5 5.048 1.175 -4.268
38 HA PHE 5 HA PHE 5 6.198 0.165 -6.714
39 HB2 PHE 5 2HB PHE 5 4.333 1.332 -7.814
40 HB3 PHE 5 3HB PHE 5 3.767 0.325 -6.486
41 HD1 PHE 5 HD1 PHE 5 4.283 3.754 -7.656
42 HD2 PHE 5 HD2 PHE 5 2.821 1.300 -4.500
43 HE1 PHE 5 HE1 PHE 5 3.136 5.699 -6.680
44 HE2 PHE 5 HE2 PHE 5 1.671 3.241 -3.519
45 HZ PHE 5 HZ PHE 5 1.827 5.444 -4.609
46 H LYS 6 H LYS 6 6.281 3.096 -4.864
47 HA LYS 6 HA LYS 6 7.123 4.862 -6.907
48 HB2 LYS 6 2HB LYS 6 7.448 4.929 -3.907
49 HB3 LYS 6 3HB LYS 6 7.996 6.231 -4.955
50 HG2 LYS 6 2HG LYS 6 5.163 5.256 -4.657
51 HG3 LYS 6 3HG LYS 6 5.834 6.755 -4.010
52 HD2 LYS 6 2HD LYS 6 6.452 7.232 -6.494
53 HD3 LYS 6 3HD LYS 6 5.221 6.017 -6.844
54 HE2 LYS 6 2HE LYS 6 3.673 7.364 -5.355
55 HE3 LYS 6 3HE LYS 6 4.894 8.635 -5.398
56 HZ1 LYS 6 3HZ LYS 6 4.085 7.556 -7.972
57 HZ2 LYS 6 1HZ LYS 6 4.405 9.155 -7.519
58 HZ3 LYS 6 2HZ LYS 6 2.910 8.455 -7.150
59 H ARG 7 H ARG 7 8.847 2.703 -4.727
60 HA ARG 7 HA ARG 7 11.440 3.647 -5.589
61 HB2 ARG 7 2HB ARG 7 10.650 2.551 -3.284
62 HB3 ARG 7 3HB ARG 7 11.145 1.081 -4.113
63 HG2 ARG 7 2HG ARG 7 12.927 3.486 -3.851
64 HG3 ARG 7 3HG ARG 7 12.885 2.178 -2.666
65 HD2 ARG 7 2HD ARG 7 13.182 0.732 -4.898
66 HD3 ARG 7 3HD ARG 7 13.967 2.221 -5.420
67 HE ARG 7 HE ARG 7 15.075 1.710 -2.989
68 HH11 ARG 7 1HH1 ARG 7 14.712 -0.109 -5.935
69 HH12 ARG 7 2HH1 ARG 7 16.163 -1.025 -5.702
70 HH21 ARG 7 1HH2 ARG 7 16.989 0.510 -2.671
71 HH22 ARG 7 2HH2 ARG 7 17.457 -0.673 -3.845
72 H GLN 8 H GLN 8 9.265 0.998 -6.294
73 HA GLN 8 HA GLN 8 11.194 -0.492 -7.816
74 HB2 GLN 8 2HB GLN 8 8.848 -1.156 -6.617
75 HB3 GLN 8 3HB GLN 8 8.325 -0.998 -8.289
76 HG2 GLN 8 2HG GLN 8 9.097 -3.020 -8.714
77 HG3 GLN 8 3HG GLN 8 10.725 -2.481 -8.304
78 HE21 GLN 8 1HE2 GLN 8 7.894 -4.150 -7.215
79 HE22 GLN 8 2HE2 GLN 8 8.584 -4.815 -5.778
80 H TYR 9 H TYR 9 8.975 2.075 -8.427
81 HA TYR 9 HA TYR 9 8.911 1.663 -11.290
82 HB2 TYR 9 2HB TYR 9 7.762 3.716 -9.424
83 HB3 TYR 9 3HB TYR 9 7.792 4.010 -11.159
84 HD1 TYR 9 HD1 TYR 9 7.414 0.579 -10.051
85 HD2 TYR 9 HD2 TYR 9 5.313 4.130 -11.089
86 HE1 TYR 9 HE1 TYR 9 5.345 -0.726 -10.304
87 HE2 TYR 9 HE2 TYR 9 3.238 2.835 -11.344
88 HH TYR 9 HH TYR 9 3.038 -0.244 -11.805
89 H LYS 10 H LYS 10 10.612 3.664 -8.971
90 HA LYS 10 HA LYS 10 11.833 5.330 -10.979
91 HB2 LYS 10 2HB LYS 10 11.329 6.039 -8.599
92 HB3 LYS 10 3HB LYS 10 12.674 5.023 -8.096
93 HG2 LYS 10 2HG LYS 10 13.814 6.539 -10.059
94 HG3 LYS 10 3HG LYS 10 12.674 7.671 -9.327
95 HD2 LYS 10 2HD LYS 10 13.898 6.331 -7.191
96 HD3 LYS 10 3HD LYS 10 15.196 6.711 -8.325
97 HE2 LYS 10 2HE LYS 10 15.178 8.673 -7.189
98 HE3 LYS 10 3HE LYS 10 13.914 9.052 -8.359
99 HZ1 LYS 10 3HZ LYS 10 13.694 8.493 -5.502
100 HZ2 LYS 10 1HZ LYS 10 12.437 7.945 -6.492
101 HZ3 LYS 10 2HZ LYS 10 12.832 9.589 -6.459
102 H ASP 11 H ASP 11 12.509 2.308 -9.482
103 HA ASP 11 HA ASP 11 15.336 2.348 -10.095
104 HB2 ASP 11 2HB ASP 11 14.481 1.146 -8.111
105 HB3 ASP 11 3HB ASP 11 13.584 0.061 -9.169
106 H MET 12 H MET 12 12.379 1.175 -11.526
107 HA MET 12 HA MET 12 13.750 -0.437 -13.499
108 HB2 MET 12 2HB MET 12 11.563 -0.979 -14.335
109 HB3 MET 12 3HB MET 12 11.514 -1.057 -12.579
110 HG2 MET 12 2HG MET 12 10.536 1.229 -12.569
111 HG3 MET 12 3HG MET 12 10.456 1.148 -14.328
112 HE1 MET 12 3HE MET 12 9.808 -1.221 -15.266
113 HE2 MET 12 1HE MET 12 9.310 -2.465 -14.118
114 HE3 MET 12 2HE MET 12 8.102 -1.642 -15.106
115 H MET 13 H MET 13 12.232 2.722 -13.288
116 HA MET 13 HA MET 13 12.266 3.269 -16.079
117 HB2 MET 13 2HB MET 13 11.622 5.478 -15.506
118 HB3 MET 13 3HB MET 13 10.842 4.426 -14.332
119 HG2 MET 13 2HG MET 13 11.631 5.934 -12.872
120 HG3 MET 13 3HG MET 13 13.105 4.977 -13.007
121 HE1 MET 13 3HE MET 13 11.295 8.171 -13.488
122 HE2 MET 13 1HE MET 13 12.586 8.432 -12.316
123 HE3 MET 13 2HE MET 13 12.588 9.318 -13.840
124 H SEP 14 H SER 14 14.749 2.899 -13.923
125 HA SEP 14 HA SER 14 16.474 4.958 -15.038
126 HB2 SEP 14 2HB SER 14 16.423 4.150 -12.564
127 HB3 SEP 14 3HB SER 14 17.396 2.804 -13.156
128 H GLU 15 H GLU 15 16.143 1.442 -15.050
129 HA GLU 15 HA GLU 15 18.360 1.222 -16.950
130 HB2 GLU 15 2HB GLU 15 16.792 -0.892 -15.464
131 HB3 GLU 15 3HB GLU 15 18.088 -1.232 -16.602
132 HG2 GLU 15 2HG GLU 15 19.393 0.436 -14.989
133 HG3 GLU 15 3HG GLU 15 18.210 -0.189 -13.841
134 H GLY 16 H GLY 16 14.897 0.622 -16.653
135 HA2 GLY 16 2HA GLY 16 13.282 0.197 -18.227
136 HA3 GLY 16 3HA GLY 16 14.313 1.093 -19.332
137 H GLY 17 H GLY 17 15.655 -1.723 -17.879
138 HA2 GLY 17 2HA GLY 17 15.270 -3.983 -18.838
139 HA3 GLY 17 3HA GLY 17 15.221 -3.193 -20.407
140 HA PRO 18 HA PRO 18 19.550 -3.585 -20.946
141 HB2 PRO 18 2HB PRO 18 20.385 -1.127 -21.743
142 HB3 PRO 18 3HB PRO 18 19.417 -2.193 -22.769
143 HG2 PRO 18 2HG PRO 18 18.544 0.131 -21.096
144 HG3 PRO 18 3HG PRO 18 18.055 -0.309 -22.743
145 HD2 PRO 18 2HD PRO 18 16.523 -0.847 -20.576
146 HD3 PRO 18 3HD PRO 18 16.552 -1.895 -22.008
147 HA PRO 19 HA PRO 19 22.017 -2.318 -17.532
148 HB2 PRO 19 2HB PRO 19 24.435 -1.763 -18.635
149 HB3 PRO 19 3HB PRO 19 23.801 -3.406 -18.488
150 HG2 PRO 19 2HG PRO 19 23.809 -1.583 -20.863
151 HG3 PRO 19 3HG PRO 19 24.171 -3.317 -20.782
152 HD2 PRO 19 2HD PRO 19 21.779 -2.366 -21.624
153 HD3 PRO 19 3HD PRO 19 21.944 -3.909 -20.763
154 H GLY 20 H GLY 20 20.443 -0.276 -17.797
155 HA2 GLY 20 2HA GLY 20 20.288 1.964 -17.293
156 HA3 GLY 20 3HA GLY 20 22.038 1.984 -17.125
157 H ALA 21 H ALA 21 20.037 1.203 -19.951
158 HA ALA 21 HA ALA 21 21.536 3.216 -21.467
159 HB1 ALA 21 1HB ALA 21 19.678 1.271 -22.756
160 HB2 ALA 21 2HB ALA 21 21.173 1.979 -23.370
161 HB3 ALA 21 3HB ALA 21 21.236 0.710 -22.147
162 H GLU 22 H GLU 22 18.205 1.952 -21.658
163 HA GLU 22 HA GLU 22 17.280 4.733 -21.974
164 HB2 GLU 22 2HB GLU 22 16.861 2.425 -23.613
165 HB3 GLU 22 3HB GLU 22 15.316 2.926 -22.940
166 HG2 GLU 22 2HG GLU 22 16.678 5.248 -23.831
167 HG3 GLU 22 3HG GLU 22 16.747 4.040 -25.113
168 HA PRO 23 HA PRO 23 14.896 4.214 -18.311
169 HB2 PRO 23 2HB PRO 23 13.026 6.134 -18.745
170 HB3 PRO 23 3HB PRO 23 14.697 6.503 -18.300
171 HG2 PRO 23 2HG PRO 23 13.405 6.535 -21.000
172 HG3 PRO 23 3HG PRO 23 14.532 7.702 -20.285
173 HD2 PRO 23 2HD PRO 23 15.320 5.816 -22.060
174 HD3 PRO 23 3HD PRO 23 16.375 6.403 -20.759
175 H GLN 24 H GLN 24 13.263 2.922 -17.695
176 HA GLN 24 HA GLN 24 11.912 1.164 -19.132
177 HB2 GLN 24 2HB GLN 24 11.703 1.443 -16.667
178 HB3 GLN 24 3HB GLN 24 10.559 2.750 -16.944
179 HG2 GLN 24 2HG GLN 24 10.087 0.019 -18.071
180 HG3 GLN 24 3HG GLN 24 9.654 0.413 -16.408
181 HE21 GLN 24 1HE2 GLN 24 8.422 0.119 -19.375
182 HE22 GLN 24 2HE2 GLN 24 7.124 1.257 -19.295
Start of MODEL 14
1 H1 LYS 1 H LYS 1 1.702 0.244 0.769
2 HA LYS 1 HA LYS 1 2.666 -1.108 -1.316
3 HB2 LYS 1 2HB LYS 1 1.336 0.634 -3.090
4 HB3 LYS 1 3HB LYS 1 1.205 -1.118 -3.002
5 HG2 LYS 1 2HG LYS 1 -0.993 -0.302 -2.878
6 HG3 LYS 1 3HG LYS 1 -0.564 -0.765 -1.229
7 HD2 LYS 1 2HD LYS 1 -0.353 1.447 -0.532
8 HD3 LYS 1 3HD LYS 1 -0.165 2.049 -2.181
9 HE2 LYS 1 2HE LYS 1 -2.713 0.695 -1.478
10 HE3 LYS 1 3HE LYS 1 -2.435 2.309 -0.826
11 HZ1 LYS 1 3HZ LYS 1 -3.511 1.868 -3.207
12 HZ2 LYS 1 1HZ LYS 1 -1.883 1.960 -3.658
13 HZ3 LYS 1 2HZ LYS 1 -2.611 3.254 -2.848
14 H LEU 2 H LEU 2 1.736 2.062 -0.197
15 HA LEU 2 HA LEU 2 3.360 3.723 -1.675
16 HB2 LEU 2 2HB LEU 2 2.448 3.794 1.174
17 HB3 LEU 2 3HB LEU 2 3.540 5.033 0.559
18 HG LEU 2 HG LEU 2 1.915 5.852 -0.949
19 HD11 LEU 2 1HD1 LEU 2 0.231 3.451 -0.251
20 HD12 LEU 2 2HD1 LEU 2 1.085 3.714 -1.771
21 HD13 LEU 2 3HD1 LEU 2 -0.245 4.776 -1.313
22 HD21 LEU 2 3HD2 LEU 2 0.480 6.793 0.535
23 HD22 LEU 2 1HD2 LEU 2 1.594 6.058 1.689
24 HD23 LEU 2 2HD2 LEU 2 0.075 5.252 1.293
25 H GLY 3 H GLY 3 5.428 3.342 -2.167
26 HA2 GLY 3 2HA GLY 3 7.699 3.716 -1.309
27 HA3 GLY 3 3HA GLY 3 7.261 2.708 0.063
28 H PHE 4 H PHE 4 5.794 0.877 -1.845
29 HA PHE 4 HA PHE 4 8.093 -0.784 -2.449
30 HB2 PHE 4 2HB PHE 4 6.678 -2.486 -2.103
31 HB3 PHE 4 3HB PHE 4 5.463 -1.292 -1.658
32 HD1 PHE 4 HD1 PHE 4 6.753 -3.376 -4.404
33 HD2 PHE 4 HD2 PHE 4 3.623 -0.817 -3.077
34 HE1 PHE 4 HE1 PHE 4 5.375 -4.076 -6.318
35 HE2 PHE 4 HE2 PHE 4 2.239 -1.513 -4.988
36 HZ PHE 4 HZ PHE 4 3.114 -3.145 -6.611
37 H PHE 5 H PHE 5 5.390 0.700 -4.203
38 HA PHE 5 HA PHE 5 6.404 -0.172 -6.760
39 HB2 PHE 5 2HB PHE 5 4.509 1.090 -7.693
40 HB3 PHE 5 3HB PHE 5 3.990 0.007 -6.405
41 HD1 PHE 5 HD1 PHE 5 4.508 3.497 -7.376
42 HD2 PHE 5 HD2 PHE 5 3.155 0.863 -4.319
43 HE1 PHE 5 HE1 PHE 5 3.441 5.390 -6.222
44 HE2 PHE 5 HE2 PHE 5 2.085 2.752 -3.161
45 HZ PHE 5 HZ PHE 5 2.226 5.019 -4.112
46 H LYS 6 H LYS 6 6.623 2.640 -4.742
47 HA LYS 6 HA LYS 6 7.395 4.517 -6.710
48 HB2 LYS 6 2HB LYS 6 6.926 4.545 -3.955
49 HB3 LYS 6 3HB LYS 6 8.616 5.002 -4.125
50 HG2 LYS 6 2HG LYS 6 7.233 6.972 -4.103
51 HG3 LYS 6 3HG LYS 6 7.955 6.773 -5.701
52 HD2 LYS 6 2HD LYS 6 5.846 5.726 -6.474
53 HD3 LYS 6 3HD LYS 6 5.136 6.061 -4.893
54 HE2 LYS 6 2HE LYS 6 6.387 8.317 -6.367
55 HE3 LYS 6 3HE LYS 6 4.839 7.708 -6.952
56 HZ1 LYS 6 3HZ LYS 6 3.791 8.723 -5.302
57 HZ2 LYS 6 1HZ LYS 6 5.246 9.480 -4.886
58 HZ3 LYS 6 2HZ LYS 6 4.800 8.033 -4.133
59 H ARG 7 H ARG 7 9.191 2.206 -4.755
60 HA ARG 7 HA ARG 7 11.752 3.164 -5.689
61 HB2 ARG 7 2HB ARG 7 10.782 1.237 -3.699
62 HB3 ARG 7 3HB ARG 7 12.239 0.721 -4.536
63 HG2 ARG 7 2HG ARG 7 13.028 1.846 -2.662
64 HG3 ARG 7 3HG ARG 7 13.165 3.036 -3.958
65 HD2 ARG 7 2HD ARG 7 11.668 4.407 -3.010
66 HD3 ARG 7 3HD ARG 7 10.583 3.080 -2.596
67 HE ARG 7 HE ARG 7 12.810 3.006 -0.890
68 HH11 ARG 7 1HH1 ARG 7 9.995 4.948 -1.539
69 HH12 ARG 7 2HH1 ARG 7 9.860 5.530 0.088
70 HH21 ARG 7 1HH2 ARG 7 12.643 3.764 1.255
71 HH22 ARG 7 2HH2 ARG 7 11.368 4.856 1.676
72 H GLN 8 H GLN 8 9.502 0.591 -6.444
73 HA GLN 8 HA GLN 8 11.327 -0.823 -8.156
74 HB2 GLN 8 2HB GLN 8 9.024 -1.522 -6.884
75 HB3 GLN 8 3HB GLN 8 8.436 -1.267 -8.522
76 HG2 GLN 8 2HG GLN 8 9.624 -3.019 -9.376
77 HG3 GLN 8 3HG GLN 8 10.873 -2.920 -8.137
78 HE21 GLN 8 1HE2 GLN 8 10.101 -3.462 -5.895
79 HE22 GLN 8 2HE2 GLN 8 9.029 -4.808 -5.744
80 H TYR 9 H TYR 9 9.135 1.814 -8.487
81 HA TYR 9 HA TYR 9 8.904 1.584 -11.361
82 HB2 TYR 9 2HB TYR 9 7.917 3.544 -9.312
83 HB3 TYR 9 3HB TYR 9 7.856 3.943 -11.026
84 HD1 TYR 9 HD2 TYR 9 7.451 0.460 -10.105
85 HD2 TYR 9 HD1 TYR 9 5.388 4.116 -10.802
86 HE1 TYR 9 HE2 TYR 9 5.337 -0.779 -10.316
87 HE2 TYR 9 HE1 TYR 9 3.269 2.887 -11.014
88 HH TYR 9 HH TYR 9 3.090 -0.585 -10.408
89 H LYS 10 H LYS 10 10.763 3.427 -9.025
90 HA LYS 10 HA LYS 10 11.907 5.201 -10.969
91 HB2 LYS 10 2HB LYS 10 11.705 5.960 -8.689
92 HB3 LYS 10 3HB LYS 10 12.639 4.590 -8.102
93 HG2 LYS 10 2HG LYS 10 14.642 5.451 -8.902
94 HG3 LYS 10 3HG LYS 10 13.834 6.544 -10.027
95 HD2 LYS 10 2HD LYS 10 12.842 7.520 -7.764
96 HD3 LYS 10 3HD LYS 10 14.332 6.833 -7.112
97 HE2 LYS 10 2HE LYS 10 14.816 9.081 -7.685
98 HE3 LYS 10 3HE LYS 10 15.562 8.074 -8.925
99 HZ1 LYS 10 3HZ LYS 10 13.301 9.908 -9.132
100 HZ2 LYS 10 1HZ LYS 10 13.240 8.504 -10.075
101 HZ3 LYS 10 2HZ LYS 10 14.533 9.581 -10.244
102 H ASP 11 H ASP 11 12.626 2.051 -9.756
103 HA ASP 11 HA ASP 11 15.393 2.049 -10.527
104 HB2 ASP 11 2HB ASP 11 13.477 0.100 -9.380
105 HB3 ASP 11 3HB ASP 11 14.809 -0.576 -10.314
106 H MET 12 H MET 12 12.347 1.115 -11.986
107 HA MET 12 HA MET 12 13.624 -0.167 -14.243
108 HB2 MET 12 2HB MET 12 11.308 -0.402 -15.101
109 HB3 MET 12 3HB MET 12 11.512 -1.063 -13.484
110 HG2 MET 12 2HG MET 12 10.501 0.936 -12.529
111 HG3 MET 12 3HG MET 12 10.315 1.618 -14.143
112 HE1 MET 12 3HE MET 12 9.365 0.388 -15.972
113 HE2 MET 12 1HE MET 12 8.651 -1.220 -15.842
114 HE3 MET 12 2HE MET 12 7.618 0.209 -15.804
115 H MET 13 H MET 13 12.426 2.969 -13.399
116 HA MET 13 HA MET 13 12.108 3.958 -16.055
117 HB2 MET 13 2HB MET 13 12.011 5.053 -13.323
118 HB3 MET 13 3HB MET 13 12.534 6.194 -14.554
119 HG2 MET 13 2HG MET 13 10.356 5.017 -15.723
120 HG3 MET 13 3HG MET 13 9.896 5.086 -14.023
121 HE1 MET 13 3HE MET 13 8.610 8.365 -13.508
122 HE2 MET 13 1HE MET 13 7.793 7.202 -14.552
123 HE3 MET 13 2HE MET 13 8.714 6.639 -13.157
124 H SEP 14 H SER 14 14.816 3.178 -14.230
125 HA SEP 14 HA SER 14 16.532 5.146 -15.552
126 HB2 SEP 14 2HB SER 14 16.878 4.857 -13.151
127 HB3 SEP 14 3HB SER 14 17.150 3.130 -13.378
128 H GLU 15 H GLU 15 15.854 1.713 -15.430
129 HA GLU 15 HA GLU 15 18.048 1.100 -17.243
130 HB2 GLU 15 2HB GLU 15 16.056 -0.549 -15.718
131 HB3 GLU 15 3HB GLU 15 16.968 -1.259 -17.043
132 HG2 GLU 15 2HG GLU 15 19.034 -0.325 -15.795
133 HG3 GLU 15 3HG GLU 15 17.944 -0.240 -14.412
134 H GLY 16 H GLY 16 14.521 1.218 -17.222
135 HA2 GLY 16 2HA GLY 16 12.985 1.188 -18.927
136 HA3 GLY 16 3HA GLY 16 14.271 1.852 -19.925
137 H GLY 17 H GLY 17 14.789 -1.221 -18.436
138 HA2 GLY 17 2HA GLY 17 13.989 -3.313 -19.521
139 HA3 GLY 17 3HA GLY 17 14.319 -2.515 -21.052
140 HA PRO 18 HA PRO 18 18.464 -3.931 -21.104
141 HB2 PRO 18 2HB PRO 18 19.947 -1.737 -21.703
142 HB3 PRO 18 3HB PRO 18 18.886 -2.528 -22.874
143 HG2 PRO 18 2HG PRO 18 18.393 -0.081 -21.222
144 HG3 PRO 18 3HG PRO 18 18.017 -0.372 -22.931
145 HD2 PRO 18 2HD PRO 18 16.150 -0.550 -20.977
146 HD3 PRO 18 3HD PRO 18 16.104 -1.559 -22.437
147 HA PRO 19 HA PRO 19 20.727 -3.332 -17.382
148 HB2 PRO 19 2HB PRO 19 23.323 -3.367 -18.175
149 HB3 PRO 19 3HB PRO 19 22.302 -4.809 -18.167
150 HG2 PRO 19 2HG PRO 19 23.033 -3.020 -20.452
151 HG3 PRO 19 3HG PRO 19 22.958 -4.790 -20.397
152 HD2 PRO 19 2HD PRO 19 20.983 -3.281 -21.472
153 HD3 PRO 19 3HD PRO 19 20.668 -4.827 -20.658
154 H GLY 20 H GLY 20 19.731 -0.968 -17.744
155 HA2 GLY 20 2HA GLY 20 20.051 1.242 -17.193
156 HA3 GLY 20 3HA GLY 20 21.713 0.834 -16.794
157 H ALA 21 H ALA 21 20.006 0.567 -19.893
158 HA ALA 21 HA ALA 21 22.150 2.129 -21.129
159 HB1 ALA 21 1HB ALA 21 21.652 1.094 -23.137
160 HB2 ALA 21 2HB ALA 21 21.304 -0.176 -21.963
161 HB3 ALA 21 3HB ALA 21 19.985 0.757 -22.669
162 H GLU 22 H GLU 22 18.646 1.854 -21.741
163 HA GLU 22 HA GLU 22 18.577 4.784 -22.050
164 HB2 GLU 22 2HB GLU 22 17.065 2.612 -23.488
165 HB3 GLU 22 3HB GLU 22 16.516 4.282 -23.491
166 HG2 GLU 22 2HG GLU 22 18.102 4.941 -24.933
167 HG3 GLU 22 3HG GLU 22 19.332 3.898 -24.222
168 HA PRO 23 HA PRO 23 15.707 4.982 -18.725
169 HB2 PRO 23 2HB PRO 23 14.414 7.279 -19.378
170 HB3 PRO 23 3HB PRO 23 16.064 7.252 -18.744
171 HG2 PRO 23 2HG PRO 23 15.127 7.508 -21.576
172 HG3 PRO 23 3HG PRO 23 16.415 8.394 -20.739
173 HD2 PRO 23 2HD PRO 23 16.919 6.320 -22.405
174 HD3 PRO 23 3HD PRO 23 17.933 6.678 -20.993
175 H GLN 24 H GLN 24 13.749 4.144 -18.295
176 HA GLN 24 HA GLN 24 12.181 2.699 -19.835
177 HB2 GLN 24 2HB GLN 24 11.537 2.896 -17.576
178 HB3 GLN 24 3HB GLN 24 11.314 4.636 -17.703
179 HG2 GLN 24 2HG GLN 24 9.184 3.484 -17.548
180 HG3 GLN 24 3HG GLN 24 9.355 4.297 -19.103
181 HE21 GLN 24 1HE2 GLN 24 8.474 1.483 -17.604
182 HE22 GLN 24 2HE2 GLN 24 8.554 0.410 -18.955
Start of MODEL 15
1 H1 LYS 1 H LYS 1 1.251 0.576 0.564
2 HA LYS 1 HA LYS 1 2.330 -0.716 -1.410
3 HB2 LYS 1 2HB LYS 1 1.019 0.809 -3.386
4 HB3 LYS 1 3HB LYS 1 0.977 -0.936 -3.170
5 HG2 LYS 1 2HG LYS 1 -1.264 -0.241 -3.234
6 HG3 LYS 1 3HG LYS 1 -0.912 -0.556 -1.533
7 HD2 LYS 1 2HD LYS 1 -0.865 1.709 -0.997
8 HD3 LYS 1 3HD LYS 1 -0.605 2.199 -2.672
9 HE2 LYS 1 2HE LYS 1 -2.794 2.600 -2.769
10 HE3 LYS 1 3HE LYS 1 -3.022 0.852 -2.739
11 HZ1 LYS 1 3HZ LYS 1 -2.666 1.605 -0.113
12 HZ2 LYS 1 1HZ LYS 1 -4.117 1.141 -0.849
13 HZ3 LYS 1 2HZ LYS 1 -3.696 2.777 -0.767
14 H LEU 2 H LEU 2 1.167 2.467 -0.592
15 HA LEU 2 HA LEU 2 2.784 4.108 -2.099
16 HB2 LEU 2 2HB LEU 2 1.701 4.333 0.680
17 HB3 LEU 2 3HB LEU 2 2.759 5.586 0.034
18 HG LEU 2 HG LEU 2 1.186 6.196 -1.621
19 HD11 LEU 2 1HD1 LEU 2 -0.889 4.972 -2.018
20 HD12 LEU 2 2HD1 LEU 2 -0.405 3.759 -0.834
21 HD13 LEU 2 3HD1 LEU 2 0.522 3.958 -2.320
22 HD21 LEU 2 3HD2 LEU 2 0.703 6.604 0.956
23 HD22 LEU 2 1HD2 LEU 2 -0.730 5.648 0.577
24 HD23 LEU 2 2HD2 LEU 2 -0.409 7.143 -0.302
25 H GLY 3 H GLY 3 4.895 3.813 -2.445
26 HA2 GLY 3 2HA GLY 3 7.087 4.380 -1.493
27 HA3 GLY 3 3HA GLY 3 6.623 3.451 -0.075
28 H PHE 4 H PHE 4 5.374 1.403 -1.916
29 HA PHE 4 HA PHE 4 7.791 -0.160 -2.263
30 HB2 PHE 4 2HB PHE 4 6.452 -1.912 -1.868
31 HB3 PHE 4 3HB PHE 4 5.150 -0.762 -1.583
32 HD1 PHE 4 HD1 PHE 4 6.712 -2.962 -4.086
33 HD2 PHE 4 HD2 PHE 4 3.374 -0.500 -3.133
34 HE1 PHE 4 HE1 PHE 4 5.490 -3.879 -6.015
35 HE2 PHE 4 HE2 PHE 4 2.146 -1.414 -5.059
36 HZ PHE 4 HZ PHE 4 3.203 -3.106 -6.502
37 H PHE 5 H PHE 5 5.121 1.030 -4.273
38 HA PHE 5 HA PHE 5 6.331 0.034 -6.695
39 HB2 PHE 5 2HB PHE 5 4.429 1.112 -7.825
40 HB3 PHE 5 3HB PHE 5 3.894 0.098 -6.489
41 HD1 PHE 5 HD1 PHE 5 4.279 3.531 -7.695
42 HD2 PHE 5 HD2 PHE 5 2.891 1.054 -4.524
43 HE1 PHE 5 HE1 PHE 5 3.045 5.439 -6.750
44 HE2 PHE 5 HE2 PHE 5 1.654 2.957 -3.574
45 HZ PHE 5 HZ PHE 5 1.729 5.153 -4.688
46 H LYS 6 H LYS 6 6.278 2.993 -4.888
47 HA LYS 6 HA LYS 6 7.062 4.764 -6.948
48 HB2 LYS 6 2HB LYS 6 6.432 4.965 -4.232
49 HB3 LYS 6 3HB LYS 6 8.101 5.507 -4.345
50 HG2 LYS 6 2HG LYS 6 6.614 7.388 -4.548
51 HG3 LYS 6 3HG LYS 6 7.439 7.116 -6.084
52 HD2 LYS 6 2HD LYS 6 5.440 5.896 -6.891
53 HD3 LYS 6 3HD LYS 6 4.620 6.299 -5.380
54 HE2 LYS 6 2HE LYS 6 5.803 8.610 -6.713
55 HE3 LYS 6 3HE LYS 6 4.580 7.795 -7.687
56 HZ1 LYS 6 3HZ LYS 6 3.430 9.373 -6.422
57 HZ2 LYS 6 1HZ LYS 6 4.272 9.000 -5.002
58 HZ3 LYS 6 2HZ LYS 6 3.142 7.907 -5.627
59 H ARG 7 H ARG 7 8.863 2.712 -4.726
60 HA ARG 7 HA ARG 7 11.419 3.746 -5.589
61 HB2 ARG 7 2HB ARG 7 10.841 2.827 -3.257
62 HB3 ARG 7 3HB ARG 7 10.987 1.235 -3.988
63 HG2 ARG 7 2HG ARG 7 13.286 2.681 -4.731
64 HG3 ARG 7 3HG ARG 7 13.033 2.959 -3.007
65 HD2 ARG 7 2HD ARG 7 12.902 0.547 -2.636
66 HD3 ARG 7 3HD ARG 7 13.140 0.266 -4.360
67 HE ARG 7 HE ARG 7 15.379 0.570 -4.047
68 HH11 ARG 7 1HH1 ARG 7 13.675 1.969 -1.353
69 HH12 ARG 7 2HH1 ARG 7 15.116 2.332 -0.462
70 HH21 ARG 7 1HH2 ARG 7 17.283 1.043 -2.884
71 HH22 ARG 7 2HH2 ARG 7 17.168 1.806 -1.335
72 H GLN 8 H GLN 8 9.361 0.997 -6.267
73 HA GLN 8 HA GLN 8 11.356 -0.429 -7.764
74 HB2 GLN 8 2HB GLN 8 9.018 -1.162 -6.575
75 HB3 GLN 8 3HB GLN 8 8.522 -1.066 -8.259
76 HG2 GLN 8 2HG GLN 8 9.281 -3.138 -8.464
77 HG3 GLN 8 3HG GLN 8 10.900 -2.445 -8.380
78 HE21 GLN 8 1HE2 GLN 8 12.115 -3.647 -7.117
79 HE22 GLN 8 2HE2 GLN 8 11.652 -4.318 -5.593
80 H TYR 9 H TYR 9 9.042 2.040 -8.418
81 HA TYR 9 HA TYR 9 9.000 1.591 -11.273
82 HB2 TYR 9 2HB TYR 9 7.789 3.636 -9.438
83 HB3 TYR 9 3HB TYR 9 7.809 3.903 -11.177
84 HD1 TYR 9 HD1 TYR 9 7.537 0.480 -10.017
85 HD2 TYR 9 HD2 TYR 9 5.326 3.949 -11.104
86 HE1 TYR 9 HE1 TYR 9 5.509 -0.892 -10.247
87 HE2 TYR 9 HE2 TYR 9 3.292 2.587 -11.336
88 HH TYR 9 HH TYR 9 2.502 0.260 -10.267
89 H LYS 10 H LYS 10 10.615 3.703 -8.984
90 HA LYS 10 HA LYS 10 11.756 5.427 -10.960
91 HB2 LYS 10 2HB LYS 10 11.366 5.996 -8.520
92 HB3 LYS 10 3HB LYS 10 12.756 4.986 -8.146
93 HG2 LYS 10 2HG LYS 10 14.160 6.427 -9.557
94 HG3 LYS 10 3HG LYS 10 12.761 7.458 -9.868
95 HD2 LYS 10 2HD LYS 10 12.659 8.179 -7.637
96 HD3 LYS 10 3HD LYS 10 13.691 6.863 -7.074
97 HE2 LYS 10 2HE LYS 10 14.913 8.629 -9.079
98 HE3 LYS 10 3HE LYS 10 14.536 9.403 -7.540
99 HZ1 LYS 10 3HZ LYS 10 16.719 8.547 -7.380
100 HZ2 LYS 10 1HZ LYS 10 16.264 7.037 -7.993
101 HZ3 LYS 10 2HZ LYS 10 15.742 7.519 -6.458
102 H ASP 11 H ASP 11 12.648 2.403 -9.501
103 HA ASP 11 HA ASP 11 15.411 2.490 -10.216
104 HB2 ASP 11 2HB ASP 11 14.463 1.048 -8.402
105 HB3 ASP 11 3HB ASP 11 13.712 0.055 -9.647
106 H MET 12 H MET 12 12.501 1.137 -11.695
107 HA MET 12 HA MET 12 13.964 0.000 -13.904
108 HB2 MET 12 2HB MET 12 11.411 -0.356 -12.782
109 HB3 MET 12 3HB MET 12 11.136 0.267 -14.403
110 HG2 MET 12 2HG MET 12 12.545 -1.523 -15.314
111 HG3 MET 12 3HG MET 12 12.765 -2.158 -13.685
112 HE1 MET 12 3HE MET 12 9.394 -0.936 -15.753
113 HE2 MET 12 1HE MET 12 10.674 -1.681 -16.711
114 HE3 MET 12 2HE MET 12 9.165 -2.549 -16.430
115 H MET 13 H MET 13 12.687 3.050 -13.119
116 HA MET 13 HA MET 13 12.122 3.934 -15.785
117 HB2 MET 13 2HB MET 13 11.969 5.025 -13.094
118 HB3 MET 13 3HB MET 13 12.585 6.204 -14.244
119 HG2 MET 13 2HG MET 13 10.561 5.463 -15.689
120 HG3 MET 13 3HG MET 13 9.929 4.851 -14.162
121 HE1 MET 13 3HE MET 13 7.929 6.106 -14.192
122 HE2 MET 13 1HE MET 13 8.432 6.542 -12.559
123 HE3 MET 13 2HE MET 13 7.776 7.774 -13.638
124 H SEP 14 H SER 14 14.959 3.446 -14.005
125 HA SEP 14 HA SER 14 16.483 5.422 -15.533
126 HB2 SEP 14 2HB SER 14 16.885 3.963 -12.997
127 HB3 SEP 14 3HB SER 14 18.336 4.181 -13.975
128 H GLU 15 H GLU 15 16.075 1.962 -15.138
129 HA GLU 15 HA GLU 15 18.204 1.409 -17.056
130 HB2 GLU 15 2HB GLU 15 17.776 -0.957 -16.526
131 HB3 GLU 15 3HB GLU 15 18.102 -0.009 -15.082
132 HG2 GLU 15 2HG GLU 15 15.384 0.136 -15.253
133 HG3 GLU 15 3HG GLU 15 15.710 -1.486 -15.862
134 H GLY 16 H GLY 16 14.701 1.182 -16.732
135 HA2 GLY 16 2HA GLY 16 13.047 0.892 -18.296
136 HA3 GLY 16 3HA GLY 16 14.211 1.478 -19.476
137 H GLY 17 H GLY 17 15.199 -1.287 -17.731
138 HA2 GLY 17 2HA GLY 17 14.458 -3.576 -18.389
139 HA3 GLY 17 3HA GLY 17 14.478 -2.982 -20.043
140 HA PRO 18 HA PRO 18 18.712 -3.983 -20.569
141 HB2 PRO 18 2HB PRO 18 19.884 -1.734 -21.540
142 HB3 PRO 18 3HB PRO 18 18.760 -2.717 -22.486
143 HG2 PRO 18 2HG PRO 18 18.252 -0.180 -20.981
144 HG3 PRO 18 3HG PRO 18 17.685 -0.658 -22.591
145 HD2 PRO 18 2HD PRO 18 16.118 -0.815 -20.389
146 HD3 PRO 18 3HD PRO 18 15.978 -1.954 -21.744
147 HA PRO 19 HA PRO 19 21.374 -2.854 -17.255
148 HB2 PRO 19 2HB PRO 19 23.835 -2.746 -18.395
149 HB3 PRO 19 3HB PRO 19 22.966 -4.262 -18.129
150 HG2 PRO 19 2HG PRO 19 23.218 -2.637 -20.630
151 HG3 PRO 19 3HG PRO 19 23.320 -4.395 -20.423
152 HD2 PRO 19 2HD PRO 19 21.087 -3.162 -21.332
153 HD3 PRO 19 3HD PRO 19 21.030 -4.647 -20.360
154 H GLY 20 H GLY 20 20.139 -0.632 -17.589
155 HA2 GLY 20 2HA GLY 20 20.327 1.636 -17.255
156 HA3 GLY 20 3HA GLY 20 22.065 1.407 -17.131
157 H ALA 21 H ALA 21 19.920 0.699 -19.862
158 HA ALA 21 HA ALA 21 21.638 2.358 -21.553
159 HB1 ALA 21 1HB ALA 21 21.039 1.052 -23.330
160 HB2 ALA 21 2HB ALA 21 20.849 -0.113 -22.020
161 HB3 ALA 21 3HB ALA 21 19.435 0.708 -22.681
162 H GLU 22 H GLU 22 18.132 1.692 -21.397
163 HA GLU 22 HA GLU 22 17.672 4.525 -22.062
164 HB2 GLU 22 2HB GLU 22 16.920 2.712 -23.704
165 HB3 GLU 22 3HB GLU 22 15.702 2.291 -22.509
166 HG2 GLU 22 2HG GLU 22 15.129 4.838 -22.632
167 HG3 GLU 22 3HG GLU 22 15.939 4.732 -24.193
168 HA PRO 23 HA PRO 23 15.970 4.769 -17.959
169 HB2 PRO 23 2HB PRO 23 15.166 7.356 -18.139
170 HB3 PRO 23 3HB PRO 23 16.852 6.889 -17.890
171 HG2 PRO 23 2HG PRO 23 15.463 7.691 -20.417
172 HG3 PRO 23 3HG PRO 23 17.066 8.163 -19.824
173 HD2 PRO 23 2HD PRO 23 16.714 6.250 -21.707
174 HD3 PRO 23 3HD PRO 23 18.044 6.200 -20.532
175 H GLN 24 H GLN 24 14.254 3.249 -18.631
176 HA GLN 24 HA GLN 24 11.696 4.660 -18.967
177 HB2 GLN 24 2HB GLN 24 12.102 3.649 -21.087
178 HB3 GLN 24 3HB GLN 24 12.617 2.141 -20.344
179 HG2 GLN 24 2HG GLN 24 10.420 1.885 -21.287
180 HG3 GLN 24 3HG GLN 24 10.333 1.777 -19.530
181 HE21 GLN 24 1HE2 GLN 24 8.064 2.231 -19.844
182 HE22 GLN 24 2HE2 GLN 24 7.540 3.867 -20.026
Start of MODEL 16
1 H1 LYS 1 H LYS 1 1.106 0.360 0.394
2 HA LYS 1 HA LYS 1 2.020 -0.495 -1.700
3 HB2 LYS 1 2HB LYS 1 0.920 1.320 -3.556
4 HB3 LYS 1 3HB LYS 1 0.669 -0.419 -3.474
5 HG2 LYS 1 2HG LYS 1 -1.474 0.540 -3.488
6 HG3 LYS 1 3HG LYS 1 -1.180 0.058 -1.816
7 HD2 LYS 1 2HD LYS 1 -0.869 2.255 -1.109
8 HD3 LYS 1 3HD LYS 1 -0.537 2.835 -2.743
9 HE2 LYS 1 2HE LYS 1 -3.212 1.667 -2.148
10 HE3 LYS 1 3HE LYS 1 -2.851 3.293 -1.570
11 HZ1 LYS 1 3HZ LYS 1 -2.656 2.383 -4.391
12 HZ2 LYS 1 1HZ LYS 1 -2.327 3.946 -3.833
13 HZ3 LYS 1 2HZ LYS 1 -3.900 3.331 -3.747
14 H LEU 2 H LEU 2 1.232 2.733 -0.644
15 HA LEU 2 HA LEU 2 3.049 4.278 -2.019
16 HB2 LEU 2 2HB LEU 2 1.971 4.421 0.768
17 HB3 LEU 2 3HB LEU 2 3.176 5.584 0.220
18 HG LEU 2 HG LEU 2 1.705 6.501 -1.385
19 HD11 LEU 2 1HD1 LEU 2 0.790 4.418 -2.256
20 HD12 LEU 2 2HD1 LEU 2 -0.495 5.565 -1.881
21 HD13 LEU 2 3HD1 LEU 2 -0.173 4.217 -0.792
22 HD21 LEU 2 3HD2 LEU 2 -0.288 6.018 0.760
23 HD22 LEU 2 1HD2 LEU 2 0.218 7.527 -0.001
24 HD23 LEU 2 2HD2 LEU 2 1.244 6.765 1.215
25 H GLY 3 H GLY 3 5.114 3.761 -2.382
26 HA2 GLY 3 2HA GLY 3 7.348 3.990 -1.386
27 HA3 GLY 3 3HA GLY 3 6.761 3.019 -0.044
28 H PHE 4 H PHE 4 5.298 1.279 -2.038
29 HA PHE 4 HA PHE 4 7.516 -0.531 -2.498
30 HB2 PHE 4 2HB PHE 4 5.975 -2.135 -2.240
31 HB3 PHE 4 3HB PHE 4 4.815 -0.863 -1.871
32 HD1 PHE 4 HD2 PHE 4 6.133 -3.039 -4.532
33 HD2 PHE 4 HD1 PHE 4 3.100 -0.276 -3.400
34 HE1 PHE 4 HE2 PHE 4 4.832 -3.656 -6.527
35 HE2 PHE 4 HE1 PHE 4 1.793 -0.889 -5.392
36 HZ PHE 4 HZ PHE 4 2.659 -2.580 -6.960
37 H PHE 5 H PHE 5 5.029 1.117 -4.417
38 HA PHE 5 HA PHE 5 6.139 0.169 -6.905
39 HB2 PHE 5 2HB PHE 5 4.392 1.551 -7.954
40 HB3 PHE 5 3HB PHE 5 3.725 0.509 -6.701
41 HD1 PHE 5 HD1 PHE 5 4.532 3.954 -7.635
42 HD2 PHE 5 HD2 PHE 5 2.819 1.425 -4.671
43 HE1 PHE 5 HE1 PHE 5 3.523 5.917 -6.548
44 HE2 PHE 5 HE2 PHE 5 1.807 3.384 -3.580
45 HZ PHE 5 HZ PHE 5 2.157 5.634 -4.519
46 H LYS 6 H LYS 6 6.416 2.971 -4.880
47 HA LYS 6 HA LYS 6 7.432 4.783 -6.798
48 HB2 LYS 6 2HB LYS 6 6.795 4.857 -4.078
49 HB3 LYS 6 3HB LYS 6 8.518 5.201 -4.142
50 HG2 LYS 6 2HG LYS 6 7.271 7.257 -4.209
51 HG3 LYS 6 3HG LYS 6 8.077 7.002 -5.758
52 HD2 LYS 6 2HD LYS 6 5.954 6.091 -6.659
53 HD3 LYS 6 3HD LYS 6 5.171 6.487 -5.127
54 HE2 LYS 6 2HE LYS 6 6.622 8.750 -6.196
55 HE3 LYS 6 3HE LYS 6 5.440 8.138 -7.353
56 HZ1 LYS 6 3HZ LYS 6 4.315 8.249 -4.758
57 HZ2 LYS 6 1HZ LYS 6 3.808 9.026 -6.173
58 HZ3 LYS 6 2HZ LYS 6 4.956 9.759 -5.171
59 H ARG 7 H ARG 7 8.946 2.369 -4.732
60 HA ARG 7 HA ARG 7 11.619 3.152 -5.502
61 HB2 ARG 7 2HB ARG 7 10.515 1.731 -3.370
62 HB3 ARG 7 3HB ARG 7 11.406 0.524 -4.287
63 HG2 ARG 7 2HG ARG 7 12.515 3.107 -3.205
64 HG3 ARG 7 3HG ARG 7 12.792 1.491 -2.550
65 HD2 ARG 7 2HD ARG 7 13.898 0.831 -4.619
66 HD3 ARG 7 3HD ARG 7 13.586 2.424 -5.306
67 HE ARG 7 HE ARG 7 15.360 3.248 -4.115
68 HH11 ARG 7 1HH1 ARG 7 14.476 0.130 -2.845
69 HH12 ARG 7 2HH1 ARG 7 15.855 0.018 -1.802
70 HH21 ARG 7 1HH2 ARG 7 17.181 3.113 -2.747
71 HH22 ARG 7 2HH2 ARG 7 17.393 1.716 -1.747
72 H GLN 8 H GLN 8 9.256 0.730 -6.399
73 HA GLN 8 HA GLN 8 11.088 -0.806 -7.994
74 HB2 GLN 8 2HB GLN 8 8.666 -1.345 -6.870
75 HB3 GLN 8 3HB GLN 8 8.206 -1.068 -8.545
76 HG2 GLN 8 2HG GLN 8 8.681 -3.224 -8.829
77 HG3 GLN 8 3HG GLN 8 10.363 -2.698 -8.834
78 HE21 GLN 8 1HE2 GLN 8 7.918 -3.199 -6.309
79 HE22 GLN 8 2HE2 GLN 8 8.896 -4.233 -5.329
80 H TYR 9 H TYR 9 9.099 1.967 -8.460
81 HA TYR 9 HA TYR 9 9.031 1.742 -11.342
82 HB2 TYR 9 2HB TYR 9 8.047 3.769 -9.357
83 HB3 TYR 9 3HB TYR 9 8.119 4.165 -11.071
84 HD1 TYR 9 HD1 TYR 9 7.433 0.719 -10.180
85 HD2 TYR 9 HD2 TYR 9 5.659 4.497 -11.005
86 HE1 TYR 9 HE1 TYR 9 5.260 -0.382 -10.523
87 HE2 TYR 9 HE2 TYR 9 3.482 3.407 -11.349
88 HH TYR 9 HH TYR 9 3.158 -0.024 -11.560
89 H LYS 10 H LYS 10 10.863 3.459 -8.894
90 HA LYS 10 HA LYS 10 12.240 5.143 -10.772
91 HB2 LYS 10 2HB LYS 10 12.544 4.576 -7.836
92 HB3 LYS 10 3HB LYS 10 13.752 5.516 -8.702
93 HG2 LYS 10 2HG LYS 10 12.071 7.150 -9.325
94 HG3 LYS 10 3HG LYS 10 10.822 6.191 -8.528
95 HD2 LYS 10 2HD LYS 10 11.247 7.546 -6.779
96 HD3 LYS 10 3HD LYS 10 12.613 6.460 -6.515
97 HE2 LYS 10 2HE LYS 10 14.006 8.166 -6.789
98 HE3 LYS 10 3HE LYS 10 13.412 8.377 -8.436
99 HZ1 LYS 10 3HZ LYS 10 13.044 10.061 -6.222
100 HZ2 LYS 10 1HZ LYS 10 11.528 9.485 -6.704
101 HZ3 LYS 10 2HZ LYS 10 12.520 10.288 -7.814
102 H ASP 11 H ASP 11 12.668 1.970 -9.488
103 HA ASP 11 HA ASP 11 15.478 1.800 -10.115
104 HB2 ASP 11 2HB ASP 11 13.409 -0.098 -9.074
105 HB3 ASP 11 3HB ASP 11 14.916 -0.738 -9.724
106 H MET 12 H MET 12 12.436 0.932 -11.626
107 HA MET 12 HA MET 12 13.690 -0.560 -13.752
108 HB2 MET 12 2HB MET 12 11.032 -0.188 -12.753
109 HB3 MET 12 3HB MET 12 11.049 0.178 -14.473
110 HG2 MET 12 2HG MET 12 12.009 -1.994 -14.953
111 HG3 MET 12 3HG MET 12 12.081 -2.360 -13.231
112 HE1 MET 12 3HE MET 12 10.148 -2.888 -11.741
113 HE2 MET 12 1HE MET 12 9.282 -1.382 -12.046
114 HE3 MET 12 2HE MET 12 8.445 -2.927 -12.204
115 H MET 13 H MET 13 12.431 2.681 -13.257
116 HA MET 13 HA MET 13 12.532 3.479 -15.983
117 HB2 MET 13 2HB MET 13 12.360 4.958 -13.374
118 HB3 MET 13 3HB MET 13 12.566 5.828 -14.889
119 HG2 MET 13 2HG MET 13 10.497 5.056 -15.725
120 HG3 MET 13 3HG MET 13 10.341 3.867 -14.435
121 HE1 MET 13 3HE MET 13 7.632 6.813 -14.391
122 HE2 MET 13 1HE MET 13 8.927 7.562 -15.326
123 HE3 MET 13 2HE MET 13 8.448 5.897 -15.658
124 H SEP 14 H SER 14 14.965 2.694 -13.882
125 HA SEP 14 HA SER 14 16.869 4.690 -14.799
126 HB2 SEP 14 2HB SER 14 16.732 3.624 -12.420
127 HB3 SEP 14 3HB SER 14 17.610 2.285 -13.160
128 H GLU 15 H GLU 15 16.240 1.232 -15.157
129 HA GLU 15 HA GLU 15 18.421 1.023 -17.099
130 HB2 GLU 15 2HB GLU 15 16.680 -1.167 -15.955
131 HB3 GLU 15 3HB GLU 15 18.125 -1.383 -16.933
132 HG2 GLU 15 2HG GLU 15 19.236 0.012 -14.999
133 HG3 GLU 15 3HG GLU 15 17.862 -0.602 -14.081
134 H GLY 16 H GLY 16 14.925 0.670 -16.806
135 HA2 GLY 16 2HA GLY 16 13.268 0.527 -18.388
136 HA3 GLY 16 3HA GLY 16 14.361 1.436 -19.421
137 H GLY 17 H GLY 17 15.487 -1.599 -18.258
138 HA2 GLY 17 2HA GLY 17 14.912 -3.723 -19.412
139 HA3 GLY 17 3HA GLY 17 14.910 -2.790 -20.901
140 HA PRO 18 HA PRO 18 19.189 -3.468 -21.550
141 HB2 PRO 18 2HB PRO 18 20.209 -1.020 -22.131
142 HB3 PRO 18 3HB PRO 18 19.149 -1.905 -23.234
143 HG2 PRO 18 2HG PRO 18 18.481 0.313 -21.339
144 HG3 PRO 18 3HG PRO 18 17.941 0.069 -23.010
145 HD2 PRO 18 2HD PRO 18 16.394 -0.547 -20.875
146 HD3 PRO 18 3HD PRO 18 16.325 -1.455 -22.399
147 HA PRO 19 HA PRO 19 21.783 -2.725 -18.078
148 HB2 PRO 19 2HB PRO 19 24.227 -2.263 -19.166
149 HB3 PRO 19 3HB PRO 19 23.464 -3.857 -19.161
150 HG2 PRO 19 2HG PRO 19 23.595 -1.827 -21.357
151 HG3 PRO 19 3HG PRO 19 23.817 -3.585 -21.443
152 HD2 PRO 19 2HD PRO 19 21.501 -2.372 -22.151
153 HD3 PRO 19 3HD PRO 19 21.549 -3.998 -21.439
154 H GLY 20 H GLY 20 20.376 -0.548 -18.129
155 HA2 GLY 20 2HA GLY 20 20.408 1.641 -17.417
156 HA3 GLY 20 3HA GLY 20 22.155 1.506 -17.279
157 H ALA 21 H ALA 21 20.070 1.150 -20.129
158 HA ALA 21 HA ALA 21 21.708 3.174 -21.479
159 HB1 ALA 21 1HB ALA 21 21.209 0.772 -22.381
160 HB2 ALA 21 2HB ALA 21 19.693 1.504 -22.910
161 HB3 ALA 21 3HB ALA 21 21.231 2.150 -23.482
162 H GLU 22 H GLU 22 18.287 2.194 -21.732
163 HA GLU 22 HA GLU 22 17.581 5.055 -21.776
164 HB2 GLU 22 2HB GLU 22 16.556 2.719 -23.332
165 HB3 GLU 22 3HB GLU 22 15.454 4.039 -22.966
166 HG2 GLU 22 2HG GLU 22 16.350 5.351 -24.517
167 HG3 GLU 22 3HG GLU 22 17.993 4.983 -23.997
168 HA PRO 23 HA PRO 23 15.203 4.382 -18.133
169 HB2 PRO 23 2HB PRO 23 13.494 6.480 -18.350
170 HB3 PRO 23 3HB PRO 23 15.194 6.667 -17.902
171 HG2 PRO 23 2HG PRO 23 13.882 7.063 -20.563
172 HG3 PRO 23 3HG PRO 23 15.108 8.061 -19.761
173 HD2 PRO 23 2HD PRO 23 15.720 6.295 -21.720
174 HD3 PRO 23 3HD PRO 23 16.834 6.667 -20.389
175 H GLN 24 H GLN 24 13.481 3.164 -17.618
176 HA GLN 24 HA GLN 24 11.972 1.674 -19.194
177 HB2 GLN 24 2HB GLN 24 11.819 1.726 -16.708
178 HB3 GLN 24 3HB GLN 24 10.775 3.135 -16.835
179 HG2 GLN 24 2HG GLN 24 9.683 1.148 -18.508
180 HG3 GLN 24 3HG GLN 24 10.095 0.374 -16.979
181 HE21 GLN 24 1HE2 GLN 24 8.074 0.109 -16.188
182 HE22 GLN 24 2HE2 GLN 24 7.012 1.411 -15.786
Start of MODEL 17
1 H1 LYS 1 H LYS 1 1.050 0.309 0.534
2 HA LYS 1 HA LYS 1 2.962 -1.257 -1.072
3 HB2 LYS 1 2HB LYS 1 1.416 0.452 -2.755
4 HB3 LYS 1 3HB LYS 1 1.515 -1.304 -2.769
5 HG2 LYS 1 2HG LYS 1 -0.750 -0.877 -2.505
6 HG3 LYS 1 3HG LYS 1 -0.198 -1.223 -0.865
7 HD2 LYS 1 2HD LYS 1 -0.689 0.844 -0.152
8 HD3 LYS 1 3HD LYS 1 0.011 1.598 -1.586
9 HE2 LYS 1 2HE LYS 1 -2.062 0.902 -2.829
10 HE3 LYS 1 3HE LYS 1 -2.750 0.434 -1.274
11 HZ1 LYS 1 3HZ LYS 1 -1.655 3.140 -1.591
12 HZ2 LYS 1 1HZ LYS 1 -2.901 2.596 -0.585
13 HZ3 LYS 1 2HZ LYS 1 -3.177 2.793 -2.242
14 H LEU 2 H LEU 2 1.909 1.871 0.054
15 HA LEU 2 HA LEU 2 3.388 3.603 -1.489
16 HB2 LEU 2 2HB LEU 2 2.590 3.643 1.394
17 HB3 LEU 2 3HB LEU 2 3.588 4.934 0.729
18 HG LEU 2 HG LEU 2 1.861 5.650 -0.722
19 HD11 LEU 2 1HD1 LEU 2 0.326 3.184 0.087
20 HD12 LEU 2 2HD1 LEU 2 1.103 3.457 -1.473
21 HD13 LEU 2 3HD1 LEU 2 -0.256 4.466 -0.976
22 HD21 LEU 2 3HD2 LEU 2 0.179 4.985 1.631
23 HD22 LEU 2 1HD2 LEU 2 0.426 6.527 0.811
24 HD23 LEU 2 2HD2 LEU 2 1.657 5.907 1.912
25 H GLY 3 H GLY 3 5.451 3.325 -2.063
26 HA2 GLY 3 2HA GLY 3 7.732 3.820 -1.298
27 HA3 GLY 3 3HA GLY 3 7.402 2.799 0.094
28 H PHE 4 H PHE 4 5.958 0.880 -1.740
29 HA PHE 4 HA PHE 4 8.315 -0.658 -2.438
30 HB2 PHE 4 2HB PHE 4 7.014 -2.432 -2.016
31 HB3 PHE 4 3HB PHE 4 5.756 -1.303 -1.523
32 HD1 PHE 4 HD1 PHE 4 7.030 -3.345 -4.306
33 HD2 PHE 4 HD2 PHE 4 3.832 -0.934 -2.865
34 HE1 PHE 4 HE1 PHE 4 5.606 -4.137 -6.150
35 HE2 PHE 4 HE2 PHE 4 2.403 -1.723 -4.706
36 HZ PHE 4 HZ PHE 4 3.289 -3.326 -6.351
37 H PHE 5 H PHE 5 5.458 0.663 -4.073
38 HA PHE 5 HA PHE 5 6.399 -0.175 -6.669
39 HB2 PHE 5 2HB PHE 5 4.396 0.973 -7.520
40 HB3 PHE 5 3HB PHE 5 3.997 -0.125 -6.203
41 HD1 PHE 5 HD1 PHE 5 4.283 3.381 -7.216
42 HD2 PHE 5 HD2 PHE 5 3.207 0.702 -4.089
43 HE1 PHE 5 HE1 PHE 5 3.168 5.223 -6.026
44 HE2 PHE 5 HE2 PHE 5 2.090 2.539 -2.894
45 HZ PHE 5 HZ PHE 5 2.068 4.803 -3.863
46 H LYS 6 H LYS 6 6.570 2.654 -4.675
47 HA LYS 6 HA LYS 6 7.138 4.560 -6.686
48 HB2 LYS 6 2HB LYS 6 7.795 4.482 -3.740
49 HB3 LYS 6 3HB LYS 6 8.146 5.865 -4.769
50 HG2 LYS 6 2HG LYS 6 5.419 4.714 -4.214
51 HG3 LYS 6 3HG LYS 6 6.086 6.203 -3.539
52 HD2 LYS 6 2HD LYS 6 5.518 5.652 -6.451
53 HD3 LYS 6 3HD LYS 6 4.589 6.707 -5.385
54 HE2 LYS 6 2HE LYS 6 7.434 7.081 -6.306
55 HE3 LYS 6 3HE LYS 6 6.035 8.065 -6.733
56 HZ1 LYS 6 3HZ LYS 6 7.242 9.221 -5.076
57 HZ2 LYS 6 1HZ LYS 6 7.345 7.856 -4.082
58 HZ3 LYS 6 2HZ LYS 6 5.854 8.616 -4.322
59 H ARG 7 H ARG 7 9.154 2.365 -4.812
60 HA ARG 7 HA ARG 7 11.608 3.450 -5.886
61 HB2 ARG 7 2HB ARG 7 10.847 1.563 -3.796
62 HB3 ARG 7 3HB ARG 7 12.225 1.005 -4.735
63 HG2 ARG 7 2HG ARG 7 12.956 2.245 -2.788
64 HG3 ARG 7 3HG ARG 7 13.392 3.102 -4.269
65 HD2 ARG 7 2HD ARG 7 12.234 4.891 -3.638
66 HD3 ARG 7 3HD ARG 7 10.785 3.918 -3.387
67 HE ARG 7 HE ARG 7 12.687 3.707 -1.247
68 HH11 ARG 7 1HH1 ARG 7 10.040 5.561 -2.541
69 HH12 ARG 7 2HH1 ARG 7 9.582 6.223 -1.007
70 HH21 ARG 7 1HH2 ARG 7 12.094 4.571 0.779
71 HH22 ARG 7 2HH2 ARG 7 10.752 5.660 0.881
72 H GLN 8 H GLN 8 9.462 0.756 -6.505
73 HA GLN 8 HA GLN 8 11.269 -0.583 -8.293
74 HB2 GLN 8 2HB GLN 8 9.077 -1.389 -6.905
75 HB3 GLN 8 3HB GLN 8 8.385 -1.166 -8.506
76 HG2 GLN 8 2HG GLN 8 10.784 -2.555 -8.895
77 HG3 GLN 8 3HG GLN 8 10.005 -3.304 -7.503
78 HE21 GLN 8 1HE2 GLN 8 8.989 -5.057 -8.152
79 HE22 GLN 8 2HE2 GLN 8 7.990 -5.195 -9.555
80 H TYR 9 H TYR 9 8.915 1.926 -8.541
81 HA TYR 9 HA TYR 9 8.577 1.660 -11.400
82 HB2 TYR 9 2HB TYR 9 7.562 3.574 -9.322
83 HB3 TYR 9 3HB TYR 9 7.406 3.955 -11.033
84 HD1 TYR 9 HD2 TYR 9 7.246 0.463 -10.072
85 HD2 TYR 9 HD1 TYR 9 4.945 3.983 -10.713
86 HE1 TYR 9 HE2 TYR 9 5.203 -0.901 -10.187
87 HE2 TYR 9 HE1 TYR 9 2.895 2.630 -10.829
88 HH TYR 9 HH TYR 9 3.015 -0.909 -10.594
89 H LYS 10 H LYS 10 10.430 3.617 -9.157
90 HA LYS 10 HA LYS 10 11.380 5.444 -11.159
91 HB2 LYS 10 2HB LYS 10 11.167 6.012 -8.730
92 HB3 LYS 10 3HB LYS 10 12.507 4.920 -8.403
93 HG2 LYS 10 2HG LYS 10 14.037 6.403 -9.078
94 HG3 LYS 10 3HG LYS 10 13.075 6.910 -10.468
95 HD2 LYS 10 2HD LYS 10 11.628 8.203 -8.881
96 HD3 LYS 10 3HD LYS 10 12.790 7.822 -7.608
97 HE2 LYS 10 2HE LYS 10 14.222 8.824 -9.849
98 HE3 LYS 10 3HE LYS 10 12.877 9.917 -9.526
99 HZ1 LYS 10 3HZ LYS 10 13.648 10.362 -7.399
100 HZ2 LYS 10 1HZ LYS 10 15.072 10.310 -8.310
101 HZ3 LYS 10 2HZ LYS 10 14.637 8.991 -7.345
102 H ASP 11 H ASP 11 12.315 2.341 -9.991
103 HA ASP 11 HA ASP 11 15.047 2.504 -10.891
104 HB2 ASP 11 2HB ASP 11 14.115 1.017 -9.004
105 HB3 ASP 11 3HB ASP 11 13.560 -0.045 -10.295
106 H MET 12 H MET 12 12.011 1.186 -12.104
107 HA MET 12 HA MET 12 13.165 -0.108 -14.367
108 HB2 MET 12 2HB MET 12 10.699 -0.146 -13.142
109 HB3 MET 12 3HB MET 12 10.367 0.710 -14.642
110 HG2 MET 12 2HG MET 12 11.441 -1.172 -15.870
111 HG3 MET 12 3HG MET 12 11.551 -2.036 -14.338
112 HE1 MET 12 3HE MET 12 7.994 -0.993 -16.882
113 HE2 MET 12 1HE MET 12 9.713 -0.667 -17.110
114 HE3 MET 12 2HE MET 12 9.066 -2.270 -17.462
115 H MET 13 H MET 13 11.903 3.093 -13.728
116 HA MET 13 HA MET 13 11.835 3.893 -16.483
117 HB2 MET 13 2HB MET 13 11.128 5.988 -15.716
118 HB3 MET 13 3HB MET 13 10.475 4.867 -14.528
119 HG2 MET 13 2HG MET 13 11.383 6.196 -13.001
120 HG3 MET 13 3HG MET 13 12.927 5.493 -13.479
121 HE1 MET 13 3HE MET 13 12.465 8.650 -12.184
122 HE2 MET 13 1HE MET 13 11.924 9.764 -13.440
123 HE3 MET 13 2HE MET 13 10.885 8.431 -12.938
124 H SEP 14 H SER 14 14.323 3.329 -14.354
125 HA SEP 14 HA SER 14 16.062 5.412 -15.453
126 HB2 SEP 14 2HB SER 14 15.862 4.499 -12.911
127 HB3 SEP 14 3HB SER 14 17.162 3.468 -13.509
128 H GLU 15 H GLU 15 15.631 1.928 -15.371
129 HA GLU 15 HA GLU 15 17.975 1.571 -17.095
130 HB2 GLU 15 2HB GLU 15 17.532 -0.886 -16.681
131 HB3 GLU 15 3HB GLU 15 18.006 0.054 -15.273
132 HG2 GLU 15 2HG GLU 15 16.151 -0.494 -14.203
133 HG3 GLU 15 3HG GLU 15 15.150 0.053 -15.546
134 H GLY 16 H GLY 16 14.486 1.143 -17.004
135 HA2 GLY 16 2HA GLY 16 12.960 0.876 -18.700
136 HA3 GLY 16 3HA GLY 16 14.232 1.356 -19.813
137 H GLY 17 H GLY 17 15.122 -1.283 -17.891
138 HA2 GLY 17 2HA GLY 17 14.368 -3.610 -18.416
139 HA3 GLY 17 3HA GLY 17 14.450 -3.125 -20.103
140 HA PRO 18 HA PRO 18 18.702 -4.150 -20.417
141 HB2 PRO 18 2HB PRO 18 19.936 -1.947 -21.415
142 HB3 PRO 18 3HB PRO 18 18.844 -2.955 -22.374
143 HG2 PRO 18 2HG PRO 18 18.297 -0.361 -20.983
144 HG3 PRO 18 3HG PRO 18 17.795 -0.892 -22.599
145 HD2 PRO 18 2HD PRO 18 16.133 -0.957 -20.462
146 HD3 PRO 18 3HD PRO 18 16.040 -2.143 -21.780
147 HA PRO 19 HA PRO 19 21.220 -2.928 -17.025
148 HB2 PRO 19 2HB PRO 19 23.732 -2.909 -18.052
149 HB3 PRO 19 3HB PRO 19 22.824 -4.398 -17.764
150 HG2 PRO 19 2HG PRO 19 23.220 -2.885 -20.317
151 HG3 PRO 19 3HG PRO 19 23.280 -4.634 -20.032
152 HD2 PRO 19 2HD PRO 19 21.115 -3.404 -21.094
153 HD3 PRO 19 3HD PRO 19 20.985 -4.845 -20.065
154 H GLY 20 H GLY 20 20.025 -0.699 -17.588
155 HA2 GLY 20 2HA GLY 20 20.244 1.578 -17.317
156 HA3 GLY 20 3HA GLY 20 21.969 1.328 -17.097
157 H ALA 21 H ALA 21 20.055 0.420 -19.920
158 HA ALA 21 HA ALA 21 21.848 2.006 -21.586
159 HB1 ALA 21 1HB ALA 21 21.280 0.644 -23.345
160 HB2 ALA 21 2HB ALA 21 21.076 -0.463 -21.986
161 HB3 ALA 21 3HB ALA 21 19.668 0.313 -22.712
162 H GLU 22 H GLU 22 18.327 1.406 -21.607
163 HA GLU 22 HA GLU 22 17.960 4.215 -22.419
164 HB2 GLU 22 2HB GLU 22 16.886 1.735 -23.458
165 HB3 GLU 22 3HB GLU 22 15.594 2.827 -22.977
166 HG2 GLU 22 2HG GLU 22 16.714 4.600 -24.349
167 HG3 GLU 22 3HG GLU 22 17.795 3.347 -24.956
168 HA PRO 23 HA PRO 23 16.106 4.435 -18.330
169 HB2 PRO 23 2HB PRO 23 15.870 7.139 -18.334
170 HB3 PRO 23 3HB PRO 23 17.391 6.308 -17.986
171 HG2 PRO 23 2HG PRO 23 16.463 7.573 -20.536
172 HG3 PRO 23 3HG PRO 23 18.059 7.648 -19.766
173 HD2 PRO 23 2HD PRO 23 17.521 5.998 -21.845
174 HD3 PRO 23 3HD PRO 23 18.683 5.580 -20.570
175 H GLN 24 H GLN 24 14.043 3.766 -18.291
176 HA GLN 24 HA GLN 24 12.065 4.831 -20.101
177 HB2 GLN 24 2HB GLN 24 12.230 2.606 -18.168
178 HB3 GLN 24 3HB GLN 24 10.635 3.321 -18.359
179 HG2 GLN 24 2HG GLN 24 12.345 2.177 -20.555
180 HG3 GLN 24 3HG GLN 24 10.919 1.427 -19.840
181 HE21 GLN 24 1HE2 GLN 24 8.876 2.551 -20.098
182 HE22 GLN 24 2HE2 GLN 24 8.604 3.489 -21.523
Start of MODEL 18
1 H1 LYS 1 H LYS 1 0.776 1.289 0.385
2 HA LYS 1 HA LYS 1 2.552 -0.366 -1.286
3 HB2 LYS 1 2HB LYS 1 1.337 0.909 -3.215
4 HB3 LYS 1 3HB LYS 1 0.576 -0.497 -2.481
5 HG2 LYS 1 2HG LYS 1 -1.178 0.698 -1.848
6 HG3 LYS 1 3HG LYS 1 -0.151 1.903 -1.068
7 HD2 LYS 1 2HD LYS 1 -0.996 3.266 -2.656
8 HD3 LYS 1 3HD LYS 1 0.252 2.529 -3.664
9 HE2 LYS 1 2HE LYS 1 -1.545 2.191 -5.019
10 HE3 LYS 1 3HE LYS 1 -1.659 0.727 -4.045
11 HZ1 LYS 1 3HZ LYS 1 -3.365 3.095 -4.048
12 HZ2 LYS 1 1HZ LYS 1 -3.107 2.338 -2.557
13 HZ3 LYS 1 2HZ LYS 1 -3.775 1.467 -3.844
14 H LEU 2 H LEU 2 1.568 2.872 -0.323
15 HA LEU 2 HA LEU 2 3.193 4.440 -1.895
16 HB2 LEU 2 2HB LEU 2 2.236 4.712 0.926
17 HB3 LEU 2 3HB LEU 2 3.318 5.919 0.234
18 HG LEU 2 HG LEU 2 1.706 6.600 -1.350
19 HD11 LEU 2 1HD1 LEU 2 -0.432 5.459 -1.669
20 HD12 LEU 2 2HD1 LEU 2 0.056 4.218 -0.516
21 HD13 LEU 2 3HD1 LEU 2 0.928 4.398 -2.038
22 HD21 LEU 2 3HD2 LEU 2 1.332 6.994 1.255
23 HD22 LEU 2 1HD2 LEU 2 -0.160 6.122 0.901
24 HD23 LEU 2 2HD2 LEU 2 0.217 7.611 0.035
25 H GLY 3 H GLY 3 5.275 4.064 -2.325
26 HA2 GLY 3 2HA GLY 3 7.525 4.537 -1.460
27 HA3 GLY 3 3HA GLY 3 7.080 3.621 -0.028
28 H PHE 4 H PHE 4 5.673 1.639 -1.834
29 HA PHE 4 HA PHE 4 8.004 -0.028 -2.271
30 HB2 PHE 4 2HB PHE 4 6.599 -1.722 -1.852
31 HB3 PHE 4 3HB PHE 4 5.363 -0.516 -1.510
32 HD1 PHE 4 HD2 PHE 4 6.732 -2.756 -4.090
33 HD2 PHE 4 HD1 PHE 4 3.549 -0.152 -2.993
34 HE1 PHE 4 HE2 PHE 4 5.402 -3.590 -5.984
35 HE2 PHE 4 HE1 PHE 4 2.213 -0.983 -4.884
36 HZ PHE 4 HZ PHE 4 3.139 -2.703 -6.384
37 H PHE 5 H PHE 5 5.331 1.300 -4.189
38 HA PHE 5 HA PHE 5 6.417 0.270 -6.654
39 HB2 PHE 5 2HB PHE 5 4.537 1.449 -7.717
40 HB3 PHE 5 3HB PHE 5 3.993 0.455 -6.370
41 HD1 PHE 5 HD1 PHE 5 4.492 3.867 -7.584
42 HD2 PHE 5 HD2 PHE 5 3.124 1.454 -4.355
43 HE1 PHE 5 HE1 PHE 5 3.387 5.828 -6.591
44 HE2 PHE 5 HE2 PHE 5 2.016 3.411 -3.358
45 HZ PHE 5 HZ PHE 5 2.146 5.602 -4.476
46 H LYS 6 H LYS 6 6.548 3.223 -4.834
47 HA LYS 6 HA LYS 6 7.370 4.960 -6.909
48 HB2 LYS 6 2HB LYS 6 6.763 5.217 -4.217
49 HB3 LYS 6 3HB LYS 6 8.479 5.596 -4.286
50 HG2 LYS 6 2HG LYS 6 7.129 7.603 -4.493
51 HG3 LYS 6 3HG LYS 6 8.043 7.302 -5.974
52 HD2 LYS 6 2HD LYS 6 6.110 7.511 -7.068
53 HD3 LYS 6 3HD LYS 6 5.651 5.956 -6.370
54 HE2 LYS 6 2HE LYS 6 3.933 7.653 -5.986
55 HE3 LYS 6 3HE LYS 6 4.637 7.095 -4.470
56 HZ1 LYS 6 3HZ LYS 6 5.372 9.128 -4.003
57 HZ2 LYS 6 1HZ LYS 6 4.372 9.688 -5.247
58 HZ3 LYS 6 2HZ LYS 6 6.004 9.366 -5.554
59 H ARG 7 H ARG 7 9.116 2.809 -4.740
60 HA ARG 7 HA ARG 7 11.701 3.727 -5.648
61 HB2 ARG 7 2HB ARG 7 12.627 2.124 -4.127
62 HB3 ARG 7 3HB ARG 7 11.277 2.910 -3.320
63 HG2 ARG 7 2HG ARG 7 9.859 0.983 -3.805
64 HG3 ARG 7 3HG ARG 7 11.211 0.195 -4.622
65 HD2 ARG 7 2HD ARG 7 11.781 1.132 -1.897
66 HD3 ARG 7 3HD ARG 7 10.570 -0.146 -2.003
67 HE ARG 7 HE ARG 7 12.587 -1.061 -3.562
68 HH11 ARG 7 1HH1 ARG 7 12.425 0.129 -0.294
69 HH12 ARG 7 2HH1 ARG 7 13.739 -0.851 0.267
70 HH21 ARG 7 1HH2 ARG 7 14.319 -2.356 -2.836
71 HH22 ARG 7 2HH2 ARG 7 14.817 -2.263 -1.180
72 H GLN 8 H GLN 8 9.499 1.087 -6.305
73 HA GLN 8 HA GLN 8 11.395 -0.415 -7.859
74 HB2 GLN 8 2HB GLN 8 9.065 -1.062 -6.613
75 HB3 GLN 8 3HB GLN 8 8.522 -0.923 -8.280
76 HG2 GLN 8 2HG GLN 8 10.765 -2.408 -8.591
77 HG3 GLN 8 3HG GLN 8 10.215 -2.947 -7.005
78 HE21 GLN 8 1HE2 GLN 8 8.878 -4.594 -7.020
79 HE22 GLN 8 2HE2 GLN 8 7.820 -5.041 -8.310
80 H TYR 9 H TYR 9 9.193 2.169 -8.432
81 HA TYR 9 HA TYR 9 9.048 1.742 -11.289
82 HB2 TYR 9 2HB TYR 9 7.977 3.820 -9.406
83 HB3 TYR 9 3HB TYR 9 7.966 4.106 -11.142
84 HD1 TYR 9 HD1 TYR 9 7.566 0.688 -9.998
85 HD2 TYR 9 HD2 TYR 9 5.494 4.260 -11.021
86 HE1 TYR 9 HE1 TYR 9 5.473 -0.589 -10.192
87 HE2 TYR 9 HE2 TYR 9 3.395 2.993 -11.217
88 HH TYR 9 HH TYR 9 3.145 -0.318 -10.204
89 H LYS 10 H LYS 10 10.826 3.747 -9.028
90 HA LYS 10 HA LYS 10 12.014 5.390 -11.067
91 HB2 LYS 10 2HB LYS 10 12.305 5.109 -8.108
92 HB3 LYS 10 3HB LYS 10 13.584 5.916 -9.005
93 HG2 LYS 10 2HG LYS 10 11.993 7.532 -9.867
94 HG3 LYS 10 3HG LYS 10 10.677 6.703 -9.033
95 HD2 LYS 10 2HD LYS 10 11.856 7.147 -6.881
96 HD3 LYS 10 3HD LYS 10 13.029 8.114 -7.777
97 HE2 LYS 10 2HE LYS 10 10.268 8.839 -8.358
98 HE3 LYS 10 3HE LYS 10 10.685 9.030 -6.656
99 HZ1 LYS 10 3HZ LYS 10 12.025 10.277 -8.988
100 HZ2 LYS 10 1HZ LYS 10 12.668 10.308 -7.424
101 HZ3 LYS 10 2HZ LYS 10 11.185 11.056 -7.744
102 H ASP 11 H ASP 11 12.709 2.358 -9.584
103 HA ASP 11 HA ASP 11 15.508 2.351 -10.288
104 HB2 ASP 11 2HB ASP 11 14.300 1.079 -8.343
105 HB3 ASP 11 3HB ASP 11 13.974 -0.126 -9.585
106 H MET 12 H MET 12 12.498 1.212 -11.649
107 HA MET 12 HA MET 12 13.786 -0.380 -13.683
108 HB2 MET 12 2HB MET 12 11.132 -0.073 -12.648
109 HB3 MET 12 3HB MET 12 11.094 0.151 -14.392
110 HG2 MET 12 2HG MET 12 12.153 -1.997 -14.723
111 HG3 MET 12 3HG MET 12 12.301 -2.216 -12.981
112 HE1 MET 12 3HE MET 12 10.688 -4.273 -12.216
113 HE2 MET 12 1HE MET 12 9.653 -4.878 -13.510
114 HE3 MET 12 2HE MET 12 11.355 -4.539 -13.827
115 H MET 13 H MET 13 12.323 2.807 -13.415
116 HA MET 13 HA MET 13 12.345 3.393 -16.196
117 HB2 MET 13 2HB MET 13 11.754 5.606 -15.587
118 HB3 MET 13 3HB MET 13 10.968 4.556 -14.415
119 HG2 MET 13 2HG MET 13 11.808 6.029 -12.947
120 HG3 MET 13 3HG MET 13 13.259 5.043 -13.114
121 HE1 MET 13 3HE MET 13 11.309 7.971 -13.732
122 HE2 MET 13 1HE MET 13 12.557 9.163 -13.366
123 HE3 MET 13 2HE MET 13 12.079 8.873 -15.039
124 H SEP 14 H SER 14 14.846 2.937 -14.078
125 HA SEP 14 HA SER 14 16.601 4.977 -15.180
126 HB2 SEP 14 2HB SER 14 16.563 4.109 -12.721
127 HB3 SEP 14 3HB SER 14 17.512 2.767 -13.360
128 H GLU 15 H GLU 15 16.201 1.468 -15.251
129 HA GLU 15 HA GLU 15 18.376 1.246 -17.199
130 HB2 GLU 15 2HB GLU 15 17.054 -0.609 -15.309
131 HB3 GLU 15 3HB GLU 15 17.555 -1.303 -16.845
132 HG2 GLU 15 2HG GLU 15 19.739 -1.176 -16.346
133 HG3 GLU 15 3HG GLU 15 19.568 0.367 -15.510
134 H GLY 16 H GLY 16 14.913 0.689 -16.832
135 HA2 GLY 16 2HA GLY 16 13.256 0.311 -18.376
136 HA3 GLY 16 3HA GLY 16 14.278 1.205 -19.492
137 H GLY 17 H GLY 17 15.613 -1.646 -18.108
138 HA2 GLY 17 2HA GLY 17 15.173 -3.889 -19.084
139 HA3 GLY 17 3HA GLY 17 15.096 -3.079 -20.641
140 HA PRO 18 HA PRO 18 19.405 -3.522 -21.293
141 HB2 PRO 18 2HB PRO 18 20.253 -1.065 -22.078
142 HB3 PRO 18 3HB PRO 18 19.246 -2.104 -23.094
143 HG2 PRO 18 2HG PRO 18 18.447 0.209 -21.369
144 HG3 PRO 18 3HG PRO 18 17.911 -0.202 -23.009
145 HD2 PRO 18 2HD PRO 18 16.426 -0.748 -20.812
146 HD3 PRO 18 3HD PRO 18 16.405 -1.777 -22.258
147 HA PRO 19 HA PRO 19 21.972 -2.336 -17.925
148 HB2 PRO 19 2HB PRO 19 24.370 -1.801 -19.079
149 HB3 PRO 19 3HB PRO 19 23.716 -3.437 -18.938
150 HG2 PRO 19 2HG PRO 19 23.692 -1.583 -21.289
151 HG3 PRO 19 3HG PRO 19 24.031 -3.323 -21.239
152 HD2 PRO 19 2HD PRO 19 21.634 -2.327 -22.009
153 HD3 PRO 19 3HD PRO 19 21.796 -3.884 -21.172
154 H GLY 20 H GLY 20 20.422 -0.267 -18.127
155 HA2 GLY 20 2HA GLY 20 20.313 1.968 -17.590
156 HA3 GLY 20 3HA GLY 20 22.066 1.960 -17.466
157 H ALA 21 H ALA 21 19.986 1.243 -20.251
158 HA ALA 21 HA ALA 21 21.473 3.256 -21.777
159 HB1 ALA 21 1HB ALA 21 19.561 1.351 -23.045
160 HB2 ALA 21 2HB ALA 21 21.049 2.048 -23.686
161 HB3 ALA 21 3HB ALA 21 21.126 0.763 -22.481
162 H GLU 22 H GLU 22 18.123 2.036 -21.904
163 HA GLU 22 HA GLU 22 17.227 4.832 -22.163
164 HB2 GLU 22 2HB GLU 22 16.224 2.301 -23.440
165 HB3 GLU 22 3HB GLU 22 15.191 3.717 -23.299
166 HG2 GLU 22 2HG GLU 22 17.173 4.953 -24.429
167 HG3 GLU 22 3HG GLU 22 17.663 3.334 -24.925
168 HA PRO 23 HA PRO 23 14.930 4.294 -18.446
169 HB2 PRO 23 2HB PRO 23 13.083 6.251 -18.803
170 HB3 PRO 23 3HB PRO 23 14.770 6.585 -18.395
171 HG2 PRO 23 2HG PRO 23 13.412 6.681 -21.061
172 HG3 PRO 23 3HG PRO 23 14.576 7.818 -20.357
173 HD2 PRO 23 2HD PRO 23 15.288 5.947 -22.180
174 HD3 PRO 23 3HD PRO 23 16.385 6.496 -20.897
175 H GLN 24 H GLN 24 13.299 3.009 -17.814
176 HA GLN 24 HA GLN 24 11.880 1.304 -19.250
177 HB2 GLN 24 2HB GLN 24 11.751 1.537 -16.772
178 HB3 GLN 24 3HB GLN 24 10.610 2.857 -16.989
179 HG2 GLN 24 2HG GLN 24 9.633 0.686 -18.490
180 HG3 GLN 24 3HG GLN 24 10.127 0.048 -16.923
181 HE21 GLN 24 1HE2 GLN 24 7.612 1.311 -18.577
182 HE22 GLN 24 2HE2 GLN 24 6.675 1.935 -17.266
Start of MODEL 19
1 H1 LYS 1 H LYS 1 0.251 1.289 0.170
2 HA LYS 1 HA LYS 1 2.271 -0.386 -1.173
3 HB2 LYS 1 2HB LYS 1 1.237 0.669 -3.305
4 HB3 LYS 1 3HB LYS 1 0.392 -0.657 -2.517
5 HG2 LYS 1 2HG LYS 1 -1.410 0.595 -2.231
6 HG3 LYS 1 3HG LYS 1 -0.470 1.841 -1.407
7 HD2 LYS 1 2HD LYS 1 -0.619 3.176 -3.179
8 HD3 LYS 1 3HD LYS 1 0.079 1.930 -4.216
9 HE2 LYS 1 2HE LYS 1 -2.032 1.038 -4.740
10 HE3 LYS 1 3HE LYS 1 -2.815 1.891 -3.411
11 HZ1 LYS 1 3HZ LYS 1 -2.675 3.917 -4.543
12 HZ2 LYS 1 1HZ LYS 1 -3.161 2.810 -5.727
13 HZ3 LYS 1 2HZ LYS 1 -1.553 3.332 -5.665
14 H LEU 2 H LEU 2 1.206 2.827 -0.338
15 HA LEU 2 HA LEU 2 2.817 4.421 -1.902
16 HB2 LEU 2 2HB LEU 2 1.820 4.689 0.906
17 HB3 LEU 2 3HB LEU 2 2.884 5.914 0.218
18 HG LEU 2 HG LEU 2 1.275 6.551 -1.387
19 HD11 LEU 2 1HD1 LEU 2 -0.336 4.141 -0.558
20 HD12 LEU 2 2HD1 LEU 2 0.555 4.326 -2.068
21 HD13 LEU 2 3HD1 LEU 2 -0.831 5.363 -1.730
22 HD21 LEU 2 3HD2 LEU 2 -0.603 6.043 0.849
23 HD22 LEU 2 1HD2 LEU 2 -0.255 7.534 -0.025
24 HD23 LEU 2 2HD2 LEU 2 0.864 6.955 1.210
25 H GLY 3 H GLY 3 4.911 4.076 -2.304
26 HA2 GLY 3 2HA GLY 3 7.141 4.598 -1.417
27 HA3 GLY 3 3HA GLY 3 6.695 3.689 0.019
28 H PHE 4 H PHE 4 5.348 1.661 -1.777
29 HA PHE 4 HA PHE 4 7.716 0.036 -2.174
30 HB2 PHE 4 2HB PHE 4 6.343 -1.680 -1.742
31 HB3 PHE 4 3HB PHE 4 5.077 -0.496 -1.430
32 HD1 PHE 4 HD1 PHE 4 6.524 -2.743 -3.962
33 HD2 PHE 4 HD2 PHE 4 3.272 -0.195 -2.937
34 HE1 PHE 4 HE1 PHE 4 5.232 -3.634 -5.858
35 HE2 PHE 4 HE2 PHE 4 1.975 -1.083 -4.830
36 HZ PHE 4 HZ PHE 4 2.954 -2.806 -6.293
37 H PHE 5 H PHE 5 5.031 1.286 -4.128
38 HA PHE 5 HA PHE 5 6.160 0.250 -6.572
39 HB2 PHE 5 2HB PHE 5 4.260 1.369 -7.664
40 HB3 PHE 5 3HB PHE 5 3.730 0.377 -6.310
41 HD1 PHE 5 HD2 PHE 5 4.164 3.790 -7.553
42 HD2 PHE 5 HD1 PHE 5 2.809 1.374 -4.321
43 HE1 PHE 5 HE2 PHE 5 3.002 5.733 -6.592
44 HE2 PHE 5 HE1 PHE 5 1.643 3.314 -3.355
45 HZ PHE 5 HZ PHE 5 1.740 5.497 -4.490
46 H LYS 6 H LYS 6 6.216 3.221 -4.782
47 HA LYS 6 HA LYS 6 7.002 4.959 -6.869
48 HB2 LYS 6 2HB LYS 6 6.431 5.192 -4.143
49 HB3 LYS 6 3HB LYS 6 8.111 5.691 -4.291
50 HG2 LYS 6 2HG LYS 6 6.669 7.608 -4.477
51 HG3 LYS 6 3HG LYS 6 7.456 7.306 -6.028
52 HD2 LYS 6 2HD LYS 6 5.409 6.130 -6.785
53 HD3 LYS 6 3HD LYS 6 4.631 6.569 -5.263
54 HE2 LYS 6 2HE LYS 6 5.860 8.698 -6.958
55 HE3 LYS 6 3HE LYS 6 4.288 8.035 -7.403
56 HZ1 LYS 6 3HZ LYS 6 5.028 9.681 -5.108
57 HZ2 LYS 6 1HZ LYS 6 3.834 8.508 -4.862
58 HZ3 LYS 6 2HZ LYS 6 3.618 9.700 -6.042
59 H ARG 7 H ARG 7 8.794 2.871 -4.675
60 HA ARG 7 HA ARG 7 11.358 3.838 -5.592
61 HB2 ARG 7 2HB ARG 7 10.829 2.965 -3.245
62 HB3 ARG 7 3HB ARG 7 10.870 1.357 -3.956
63 HG2 ARG 7 2HG ARG 7 13.214 2.748 -4.761
64 HG3 ARG 7 3HG ARG 7 13.025 2.924 -3.015
65 HD2 ARG 7 2HD ARG 7 13.055 0.607 -2.665
66 HD3 ARG 7 3HD ARG 7 12.737 0.260 -4.364
67 HE ARG 7 HE ARG 7 14.983 0.347 -4.744
68 HH11 ARG 7 1HH1 ARG 7 14.293 2.017 -1.768
69 HH12 ARG 7 2HH1 ARG 7 15.961 2.276 -1.375
70 HH21 ARG 7 1HH2 ARG 7 17.182 0.683 -4.238
71 HH22 ARG 7 2HH2 ARG 7 17.603 1.518 -2.781
72 H GLN 8 H GLN 8 9.218 1.141 -6.217
73 HA GLN 8 HA GLN 8 11.149 -0.340 -7.747
74 HB2 GLN 8 2HB GLN 8 8.828 -1.019 -6.500
75 HB3 GLN 8 3HB GLN 8 8.287 -0.912 -8.170
76 HG2 GLN 8 2HG GLN 8 10.102 -2.472 -8.807
77 HG3 GLN 8 3HG GLN 8 10.502 -2.644 -7.099
78 HE21 GLN 8 1HE2 GLN 8 7.758 -2.907 -9.325
79 HE22 GLN 8 2HE2 GLN 8 7.034 -4.268 -8.547
80 H TYR 9 H TYR 9 8.893 2.188 -8.361
81 HA TYR 9 HA TYR 9 8.769 1.722 -11.213
82 HB2 TYR 9 2HB TYR 9 7.647 3.802 -9.361
83 HB3 TYR 9 3HB TYR 9 7.636 4.063 -11.102
84 HD1 TYR 9 HD1 TYR 9 7.307 0.651 -9.919
85 HD2 TYR 9 HD2 TYR 9 5.158 4.167 -10.981
86 HE1 TYR 9 HE1 TYR 9 5.243 -0.673 -10.101
87 HE2 TYR 9 HE2 TYR 9 3.087 2.852 -11.164
88 HH TYR 9 HH TYR 9 2.630 -0.049 -9.878
89 H LYS 10 H LYS 10 10.487 3.803 -8.972
90 HA LYS 10 HA LYS 10 11.652 5.438 -11.031
91 HB2 LYS 10 2HB LYS 10 12.816 6.548 -9.281
92 HB3 LYS 10 3HB LYS 10 11.212 6.184 -8.658
93 HG2 LYS 10 2HG LYS 10 12.227 5.309 -6.891
94 HG3 LYS 10 3HG LYS 10 12.714 3.977 -7.941
95 HD2 LYS 10 2HD LYS 10 14.803 4.554 -7.353
96 HD3 LYS 10 3HD LYS 10 14.600 5.859 -8.525
97 HE2 LYS 10 2HE LYS 10 15.410 6.832 -6.509
98 HE3 LYS 10 3HE LYS 10 13.709 7.272 -6.658
99 HZ1 LYS 10 3HZ LYS 10 13.265 6.282 -4.741
100 HZ2 LYS 10 1HZ LYS 10 14.926 6.056 -4.507
101 HZ3 LYS 10 2HZ LYS 10 14.000 4.839 -5.229
102 H ASP 11 H ASP 11 12.390 2.436 -9.524
103 HA ASP 11 HA ASP 11 15.200 2.483 -10.184
104 HB2 ASP 11 2HB ASP 11 14.104 1.225 -8.226
105 HB3 ASP 11 3HB ASP 11 13.618 0.034 -9.430
106 H MET 12 H MET 12 12.233 1.271 -11.580
107 HA MET 12 HA MET 12 13.581 -0.303 -13.588
108 HB2 MET 12 2HB MET 12 10.910 -0.049 -12.589
109 HB3 MET 12 3HB MET 12 10.887 0.174 -14.334
110 HG2 MET 12 2HG MET 12 12.002 -1.952 -14.649
111 HG3 MET 12 3HG MET 12 12.120 -2.169 -12.904
112 HE1 MET 12 3HE MET 12 10.311 -4.413 -12.282
113 HE2 MET 12 1HE MET 12 9.671 -4.902 -13.851
114 HE3 MET 12 2HE MET 12 11.361 -4.420 -13.700
115 H MET 13 H MET 13 12.034 2.850 -13.364
116 HA MET 13 HA MET 13 12.082 3.426 -16.143
117 HB2 MET 13 2HB MET 13 11.449 5.631 -15.551
118 HB3 MET 13 3HB MET 13 10.675 4.577 -14.375
119 HG2 MET 13 2HG MET 13 11.483 6.074 -12.914
120 HG3 MET 13 3HG MET 13 12.951 5.111 -13.067
121 HE1 MET 13 3HE MET 13 15.342 7.855 -13.519
122 HE2 MET 13 1HE MET 13 14.355 7.385 -12.135
123 HE3 MET 13 2HE MET 13 15.038 6.148 -13.191
124 H SEP 14 H SER 14 14.572 3.028 -13.998
125 HA SEP 14 HA SER 14 16.304 5.093 -15.078
126 HB2 SEP 14 2HB SER 14 16.263 4.165 -12.632
127 HB3 SEP 14 3HB SER 14 17.261 2.874 -13.298
128 H GLU 15 H GLU 15 15.981 1.573 -15.178
129 HA GLU 15 HA GLU 15 18.146 1.422 -17.145
130 HB2 GLU 15 2HB GLU 15 16.674 -0.701 -15.584
131 HB3 GLU 15 3HB GLU 15 17.835 -1.069 -16.851
132 HG2 GLU 15 2HG GLU 15 19.585 -0.656 -15.532
133 HG3 GLU 15 3HG GLU 15 18.848 0.789 -14.844
134 H GLY 16 H GLY 16 14.703 0.768 -16.755
135 HA2 GLY 16 2HA GLY 16 13.044 0.362 -18.289
136 HA3 GLY 16 3HA GLY 16 14.037 1.281 -19.410
137 H GLY 17 H GLY 17 15.462 -1.533 -18.050
138 HA2 GLY 17 2HA GLY 17 15.090 -3.788 -19.010
139 HA3 GLY 17 3HA GLY 17 14.928 -2.989 -20.567
140 HA PRO 18 HA PRO 18 19.228 -3.247 -21.364
141 HB2 PRO 18 2HB PRO 18 19.965 -0.751 -22.135
142 HB3 PRO 18 3HB PRO 18 18.962 -1.808 -23.136
143 HG2 PRO 18 2HG PRO 18 18.139 0.448 -21.348
144 HG3 PRO 18 3HG PRO 18 17.565 0.044 -22.977
145 HD2 PRO 18 2HD PRO 18 16.172 -0.589 -20.743
146 HD3 PRO 18 3HD PRO 18 16.140 -1.596 -22.204
147 HA PRO 19 HA PRO 19 21.874 -2.012 -18.075
148 HB2 PRO 19 2HB PRO 19 24.197 -1.328 -19.302
149 HB3 PRO 19 3HB PRO 19 23.629 -2.997 -19.182
150 HG2 PRO 19 2HG PRO 19 23.424 -1.088 -21.478
151 HG3 PRO 19 3HG PRO 19 23.850 -2.809 -21.489
152 HD2 PRO 19 2HD PRO 19 21.379 -1.915 -22.142
153 HD3 PRO 19 3HD PRO 19 21.650 -3.483 -21.354
154 H GLY 20 H GLY 20 20.239 -0.029 -18.099
155 HA2 GLY 20 2HA GLY 20 20.005 2.193 -17.571
156 HA3 GLY 20 3HA GLY 20 21.754 2.252 -17.410
157 H ALA 21 H ALA 21 19.741 1.554 -20.251
158 HA ALA 21 HA ALA 21 21.167 3.689 -21.675
159 HB1 ALA 21 1HB ALA 21 19.824 1.169 -22.553
160 HB2 ALA 21 2HB ALA 21 20.045 2.495 -23.695
161 HB3 ALA 21 3HB ALA 21 21.446 1.762 -22.914
162 H GLU 22 H GLU 22 17.901 2.261 -21.873
163 HA GLU 22 HA GLU 22 16.839 4.993 -22.171
164 HB2 GLU 22 2HB GLU 22 16.117 2.404 -23.469
165 HB3 GLU 22 3HB GLU 22 14.846 3.588 -23.200
166 HG2 GLU 22 2HG GLU 22 15.554 4.898 -24.856
167 HG3 GLU 22 3HG GLU 22 17.246 4.727 -24.393
168 HA PRO 23 HA PRO 23 14.625 4.394 -18.410
169 HB2 PRO 23 2HB PRO 23 12.719 6.296 -18.754
170 HB3 PRO 23 3HB PRO 23 14.399 6.680 -18.362
171 HG2 PRO 23 2HG PRO 23 13.014 6.730 -21.016
172 HG3 PRO 23 3HG PRO 23 14.151 7.902 -20.325
173 HD2 PRO 23 2HD PRO 23 14.900 6.047 -22.150
174 HD3 PRO 23 3HD PRO 23 15.992 6.631 -20.879
175 H GLN 24 H GLN 24 13.035 3.067 -17.758
176 HA GLN 24 HA GLN 24 11.649 1.324 -19.193
177 HB2 GLN 24 2HB GLN 24 11.565 1.551 -16.703
178 HB3 GLN 24 3HB GLN 24 10.353 2.809 -16.903
179 HG2 GLN 24 2HG GLN 24 9.514 0.487 -16.362
180 HG3 GLN 24 3HG GLN 24 8.763 1.305 -17.731
181 HE21 GLN 24 1HE2 GLN 24 11.522 -0.823 -17.053
182 HE22 GLN 24 2HE2 GLN 24 11.300 -1.835 -18.436
Start of MODEL 20
1 H1 LYS 1 H LYS 1 0.478 1.062 0.236
2 HA LYS 1 HA LYS 1 2.310 -0.577 -1.389
3 HB2 LYS 1 2HB LYS 1 1.097 0.648 -3.353
4 HB3 LYS 1 3HB LYS 1 0.358 -0.767 -2.615
5 HG2 LYS 1 2HG LYS 1 -1.435 0.392 -2.027
6 HG3 LYS 1 3HG LYS 1 -0.450 1.628 -1.240
7 HD2 LYS 1 2HD LYS 1 -1.300 2.955 -2.855
8 HD3 LYS 1 3HD LYS 1 -0.017 2.241 -3.833
9 HE2 LYS 1 2HE LYS 1 -1.641 0.489 -4.551
10 HE3 LYS 1 3HE LYS 1 -2.902 1.376 -3.696
11 HZ1 LYS 1 3HZ LYS 1 -2.809 3.116 -5.189
12 HZ2 LYS 1 1HZ LYS 1 -2.573 1.780 -6.199
13 HZ3 LYS 1 2HZ LYS 1 -1.254 2.728 -5.730
14 H LEU 2 H LEU 2 1.238 2.650 -0.484
15 HA LEU 2 HA LEU 2 2.852 4.234 -2.051
16 HB2 LEU 2 2HB LEU 2 1.845 4.520 0.751
17 HB3 LEU 2 3HB LEU 2 2.912 5.742 0.061
18 HG LEU 2 HG LEU 2 1.310 6.368 -1.556
19 HD11 LEU 2 1HD1 LEU 2 -0.797 5.176 -1.894
20 HD12 LEU 2 2HD1 LEU 2 -0.299 3.960 -0.718
21 HD13 LEU 2 3HD1 LEU 2 0.592 4.142 -2.229
22 HD21 LEU 2 3HD2 LEU 2 0.891 6.807 1.024
23 HD22 LEU 2 1HD2 LEU 2 -0.564 5.867 0.690
24 HD23 LEU 2 2HD2 LEU 2 -0.244 7.349 -0.212
25 H GLY 3 H GLY 3 4.948 3.900 -2.444
26 HA2 GLY 3 2HA GLY 3 7.174 4.435 -1.551
27 HA3 GLY 3 3HA GLY 3 6.727 3.527 -0.115
28 H PHE 4 H PHE 4 5.393 1.492 -1.917
29 HA PHE 4 HA PHE 4 7.767 -0.128 -2.297
30 HB2 PHE 4 2HB PHE 4 6.395 -1.848 -1.879
31 HB3 PHE 4 3HB PHE 4 5.127 -0.666 -1.569
32 HD1 PHE 4 HD1 PHE 4 6.585 -2.905 -4.102
33 HD2 PHE 4 HD2 PHE 4 3.328 -0.361 -3.084
34 HE1 PHE 4 HE1 PHE 4 5.301 -3.792 -6.005
35 HE2 PHE 4 HE2 PHE 4 2.039 -1.244 -4.984
36 HZ PHE 4 HZ PHE 4 3.025 -2.963 -6.447
37 H PHE 5 H PHE 5 5.095 1.116 -4.272
38 HA PHE 5 HA PHE 5 6.245 0.082 -6.707
39 HB2 PHE 5 2HB PHE 5 4.351 1.190 -7.814
40 HB3 PHE 5 3HB PHE 5 3.811 0.206 -6.458
41 HD1 PHE 5 HD1 PHE 5 4.232 3.604 -7.733
42 HD2 PHE 5 HD2 PHE 5 2.898 1.222 -4.468
43 HE1 PHE 5 HE1 PHE 5 3.062 5.554 -6.793
44 HE2 PHE 5 HE2 PHE 5 1.725 3.168 -3.523
45 HZ PHE 5 HZ PHE 5 1.805 5.337 -4.686
46 H LYS 6 H LYS 6 6.278 3.054 -4.918
47 HA LYS 6 HA LYS 6 7.079 4.792 -7.000
48 HB2 LYS 6 2HB LYS 6 7.420 4.927 -4.005
49 HB3 LYS 6 3HB LYS 6 7.935 6.218 -5.083
50 HG2 LYS 6 2HG LYS 6 5.124 5.193 -4.744
51 HG3 LYS 6 3HG LYS 6 5.769 6.719 -4.134
52 HD2 LYS 6 2HD LYS 6 6.357 7.163 -6.627
53 HD3 LYS 6 3HD LYS 6 5.160 5.906 -6.950
54 HE2 LYS 6 2HE LYS 6 4.018 7.983 -7.047
55 HE3 LYS 6 3HE LYS 6 3.556 7.220 -5.527
56 HZ1 LYS 6 3HZ LYS 6 4.073 9.231 -4.703
57 HZ2 LYS 6 1HZ LYS 6 5.086 9.640 -5.994
58 HZ3 LYS 6 2HZ LYS 6 5.661 8.650 -4.750
59 H ARG 7 H ARG 7 8.854 2.709 -4.790
60 HA ARG 7 HA ARG 7 11.425 3.684 -5.684
61 HB2 ARG 7 2HB ARG 7 11.089 2.939 -3.357
62 HB3 ARG 7 3HB ARG 7 10.738 1.316 -3.934
63 HG2 ARG 7 2HG ARG 7 13.062 1.381 -4.992
64 HG3 ARG 7 3HG ARG 7 13.346 2.790 -3.967
65 HD2 ARG 7 2HD ARG 7 12.252 0.305 -2.738
66 HD3 ARG 7 3HD ARG 7 13.965 0.367 -3.152
67 HE ARG 7 HE ARG 7 12.638 1.784 -1.026
68 HH11 ARG 7 1HH1 ARG 7 15.410 1.693 -3.130
69 HH12 ARG 7 2HH1 ARG 7 16.411 2.625 -2.067
70 HH21 ARG 7 1HH2 ARG 7 13.946 3.012 0.382
71 HH22 ARG 7 2HH2 ARG 7 15.578 3.374 -0.069
72 H GLN 8 H GLN 8 9.296 0.981 -6.323
73 HA GLN 8 HA GLN 8 11.245 -0.502 -7.828
74 HB2 GLN 8 2HB GLN 8 8.928 -1.194 -6.598
75 HB3 GLN 8 3HB GLN 8 8.379 -1.068 -8.264
76 HG2 GLN 8 2HG GLN 8 9.836 -2.752 -8.990
77 HG3 GLN 8 3HG GLN 8 10.795 -2.674 -7.513
78 HE21 GLN 8 1HE2 GLN 8 10.069 -3.698 -5.669
79 HE22 GLN 8 2HE2 GLN 8 8.772 -4.839 -5.686
80 H TYR 9 H TYR 9 8.978 2.013 -8.474
81 HA TYR 9 HA TYR 9 8.897 1.541 -11.327
82 HB2 TYR 9 2HB TYR 9 7.729 3.611 -9.493
83 HB3 TYR 9 3HB TYR 9 7.743 3.874 -11.233
84 HD1 TYR 9 HD1 TYR 9 7.421 0.464 -10.031
85 HD2 TYR 9 HD2 TYR 9 5.269 3.950 -11.178
86 HE1 TYR 9 HE1 TYR 9 5.371 -0.879 -10.246
87 HE2 TYR 9 HE2 TYR 9 3.214 2.618 -11.395
88 HH TYR 9 HH TYR 9 2.883 -0.188 -11.878
89 H LYS 10 H LYS 10 10.579 3.624 -9.065
90 HA LYS 10 HA LYS 10 11.754 5.273 -11.110
91 HB2 LYS 10 2HB LYS 10 11.321 6.159 -8.861
92 HB3 LYS 10 3HB LYS 10 12.443 4.989 -8.179
93 HG2 LYS 10 2HG LYS 10 13.594 6.639 -10.299
94 HG3 LYS 10 3HG LYS 10 13.065 7.545 -8.880
95 HD2 LYS 10 2HD LYS 10 14.324 5.535 -7.649
96 HD3 LYS 10 3HD LYS 10 15.230 5.540 -9.164
97 HE2 LYS 10 2HE LYS 10 15.806 7.858 -8.867
98 HE3 LYS 10 3HE LYS 10 14.774 7.973 -7.442
99 HZ1 LYS 10 3HZ LYS 10 16.660 7.552 -6.343
100 HZ2 LYS 10 1HZ LYS 10 17.449 6.918 -7.699
101 HZ3 LYS 10 2HZ LYS 10 16.407 5.941 -6.793
102 H ASP 11 H ASP 11 12.513 2.293 -9.552
103 HA ASP 11 HA ASP 11 15.324 2.362 -10.213
104 HB2 ASP 11 2HB ASP 11 14.189 1.121 -8.236
105 HB3 ASP 11 3HB ASP 11 13.815 -0.117 -9.432
106 H MET 12 H MET 12 12.370 1.121 -11.597
107 HA MET 12 HA MET 12 13.740 -0.490 -13.568
108 HB2 MET 12 2HB MET 12 11.510 -0.975 -14.430
109 HB3 MET 12 3HB MET 12 11.559 -1.195 -12.686
110 HG2 MET 12 2HG MET 12 10.507 0.994 -12.386
111 HG3 MET 12 3HG MET 12 10.443 1.193 -14.136
112 HE1 MET 12 3HE MET 12 9.561 -1.419 -15.386
113 HE2 MET 12 1HE MET 12 7.801 -1.343 -15.286
114 HE3 MET 12 2HE MET 12 8.725 0.104 -15.694
115 H MET 13 H MET 13 12.165 2.648 -13.392
116 HA MET 13 HA MET 13 12.193 3.165 -16.187
117 HB2 MET 13 2HB MET 13 11.516 5.371 -15.638
118 HB3 MET 13 3HB MET 13 10.751 4.319 -14.455
119 HG2 MET 13 2HG MET 13 11.514 5.852 -13.008
120 HG3 MET 13 3HG MET 13 13.003 4.917 -13.133
121 HE1 MET 13 3HE MET 13 12.648 7.525 -12.012
122 HE2 MET 13 1HE MET 13 14.297 7.993 -12.427
123 HE3 MET 13 2HE MET 13 12.939 8.978 -12.970
124 H SEP 14 H SER 14 14.687 2.845 -14.043
125 HA SEP 14 HA SER 14 16.376 4.930 -15.162
126 HB2 SEP 14 2HB SER 14 16.340 4.069 -12.689
127 HB3 SEP 14 3HB SER 14 17.376 2.786 -13.315
128 H GLU 15 H GLU 15 16.118 1.405 -15.173
129 HA GLU 15 HA GLU 15 18.291 1.252 -17.135
130 HB2 GLU 15 2HB GLU 15 16.869 -1.056 -15.811
131 HB3 GLU 15 3HB GLU 15 18.408 -1.087 -16.659
132 HG2 GLU 15 2HG GLU 15 19.317 0.419 -14.880
133 HG3 GLU 15 3HG GLU 15 17.810 0.176 -13.999
134 H GLY 16 H GLY 16 14.874 0.506 -16.695
135 HA2 GLY 16 2HA GLY 16 13.221 -0.025 -18.197
136 HA3 GLY 16 3HA GLY 16 14.166 0.900 -19.355
137 H GLY 17 H GLY 17 15.690 -1.828 -17.911
138 HA2 GLY 17 2HA GLY 17 15.378 -4.118 -18.821
139 HA3 GLY 17 3HA GLY 17 15.231 -3.358 -20.399
140 HA PRO 18 HA PRO 18 19.550 -3.557 -21.100
141 HB2 PRO 18 2HB PRO 18 20.236 -1.077 -21.966
142 HB3 PRO 18 3HB PRO 18 19.282 -2.203 -22.937
143 HG2 PRO 18 2HG PRO 18 18.365 0.105 -21.266
144 HG3 PRO 18 3HG PRO 18 17.834 -0.384 -22.886
145 HD2 PRO 18 2HD PRO 18 16.414 -0.957 -20.653
146 HD3 PRO 18 3HD PRO 18 16.437 -2.026 -22.070
147 HA PRO 19 HA PRO 19 22.084 -2.121 -17.806
148 HB2 PRO 19 2HB PRO 19 24.429 -1.471 -19.010
149 HB3 PRO 19 3HB PRO 19 23.879 -3.139 -18.815
150 HG2 PRO 19 2HG PRO 19 23.709 -1.357 -21.214
151 HG3 PRO 19 3HG PRO 19 24.156 -3.070 -21.123
152 HD2 PRO 19 2HD PRO 19 21.691 -2.246 -21.884
153 HD3 PRO 19 3HD PRO 19 21.961 -3.766 -21.007
154 H GLY 20 H GLY 20 20.407 -0.159 -18.034
155 HA2 GLY 20 2HA GLY 20 20.165 2.079 -17.559
156 HA3 GLY 20 3HA GLY 20 21.917 2.183 -17.458
157 H ALA 21 H ALA 21 19.852 1.263 -20.195
158 HA ALA 21 HA ALA 21 21.194 3.323 -21.794
159 HB1 ALA 21 1HB ALA 21 20.818 2.041 -23.666
160 HB2 ALA 21 2HB ALA 21 20.999 0.796 -22.430
161 HB3 ALA 21 3HB ALA 21 19.391 1.263 -22.982
162 H GLU 22 H GLU 22 17.926 1.893 -21.851
163 HA GLU 22 HA GLU 22 16.853 4.620 -22.162
164 HB2 GLU 22 2HB GLU 22 16.429 2.202 -23.698
165 HB3 GLU 22 3HB GLU 22 14.910 2.823 -23.069
166 HG2 GLU 22 2HG GLU 22 16.529 4.941 -24.169
167 HG3 GLU 22 3HG GLU 22 16.250 3.662 -25.349
168 HA PRO 23 HA PRO 23 14.621 4.015 -18.417
169 HB2 PRO 23 2HB PRO 23 12.648 5.841 -18.799
170 HB3 PRO 23 3HB PRO 23 14.313 6.292 -18.412
171 HG2 PRO 23 2HG PRO 23 12.933 6.243 -21.068
172 HG3 PRO 23 3HG PRO 23 14.026 7.468 -20.398
173 HD2 PRO 23 2HD PRO 23 14.844 5.608 -22.187
174 HD3 PRO 23 3HD PRO 23 15.913 6.254 -20.925
175 H GLN 24 H GLN 24 13.081 2.642 -17.744
176 HA GLN 24 HA GLN 24 11.769 0.810 -19.109
177 HB2 GLN 24 2HB GLN 24 10.293 0.515 -17.338
178 HB3 GLN 24 3HB GLN 24 11.619 1.392 -16.586
179 HG2 GLN 24 2HG GLN 24 9.888 2.590 -15.760
180 HG3 GLN 24 3HG GLN 24 10.138 3.476 -17.264
181 HE21 GLN 24 1HE2 GLN 24 7.744 3.611 -15.975
182 HE22 GLN 24 2HE2 GLN 24 6.535 2.778 -16.886
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