Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
23352 | 2jv4 RC | 15466 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 1 H SER 1 23.708 32.714 27.216
2 HA SER 1 HA SER 1 25.255 34.753 28.660
3 HB2 SER 1 HB1 SER 1 24.957 32.641 29.995
4 HB3 SER 1 HB2 SER 1 25.805 31.765 28.700
5 HG SER 1 HG SER 1 27.044 32.682 30.581
6 H MET 2 HN MET 2 26.979 35.491 27.518
7 HA MET 2 HA MET 2 27.607 34.297 24.837
8 HB2 MET 2 HB1 MET 2 26.552 37.121 25.319
9 HB3 MET 2 HB2 MET 2 27.051 36.421 23.772
10 HG2 MET 2 HG1 MET 2 25.212 34.746 23.978
11 HG3 MET 2 HG2 MET 2 24.691 35.542 25.472
12 HE1 MET 2 HE1 MET 2 22.717 34.906 23.346
13 HE2 MET 2 HE2 MET 2 22.313 35.844 24.801
14 HE3 MET 2 HE3 MET 2 21.804 36.412 23.199
15 H VAL 3 HN VAL 3 29.577 33.906 26.199
16 HA VAL 3 HA VAL 3 31.377 36.308 26.348
17 HB VAL 3 HB VAL 3 32.466 35.273 28.322
18 HG11 VAL 3 1HG1 VAL 3 29.507 35.825 28.765
19 HG12 VAL 3 2HG1 VAL 3 30.821 35.982 29.948
20 HG13 VAL 3 3HG1 VAL 3 30.758 37.069 28.552
21 HG21 VAL 3 3HG2 VAL 3 30.079 33.386 28.443
22 HG22 VAL 3 1HG2 VAL 3 31.739 32.909 28.019
23 HG23 VAL 3 2HG2 VAL 3 31.383 33.541 29.631
24 H ASN 4 HN ASN 4 33.642 35.939 26.284
25 HA ASN 4 HA ASN 4 34.499 33.575 24.659
26 HB2 ASN 4 HB1 ASN 4 36.062 36.096 25.347
27 HB3 ASN 4 HB2 ASN 4 36.565 34.795 24.278
28 HD21 ASN 4 2HD2 ASN 4 35.364 34.467 22.234
29 HD22 ASN 4 1HD2 ASN 4 34.462 35.830 21.553
30 H THR 5 HN THR 5 35.676 31.992 25.568
31 HA THR 5 HA THR 5 37.179 32.412 28.158
32 HB THR 5 HB THR 5 36.582 30.126 28.801
33 HG1 THR 5 HG1 THR 5 35.041 30.271 26.495
34 HG21 THR 5 1HG2 THR 5 34.151 31.942 28.598
35 HG22 THR 5 2HG2 THR 5 34.531 30.730 29.854
36 HG23 THR 5 3HG2 THR 5 35.532 32.171 29.685
37 H GLY 6 HN GLY 6 39.212 32.015 27.790
38 HA2 GLY 6 HA1 GLY 6 40.206 30.078 25.850
39 HA3 GLY 6 HA2 GLY 6 41.113 30.823 27.189
40 H LEU 7 HN LEU 7 38.181 28.757 27.050
41 HA LEU 7 HA LEU 7 39.365 26.990 29.107
42 HB2 LEU 7 HB1 LEU 7 36.608 27.614 28.216
43 HB3 LEU 7 HB2 LEU 7 36.878 25.973 28.757
44 HG LEU 7 HG LEU 7 37.815 28.394 30.386
45 HD11 LEU 7 1HD1 LEU 7 35.194 26.836 30.655
46 HD12 LEU 7 2HD1 LEU 7 35.757 28.140 31.725
47 HD13 LEU 7 3HD1 LEU 7 35.342 28.489 30.041
48 HD21 LEU 7 3HD2 LEU 7 37.248 25.510 31.276
49 HD22 LEU 7 1HD2 LEU 7 38.860 26.183 31.033
50 HD23 LEU 7 2HD2 LEU 7 37.826 26.849 32.288
51 HA PRO 8 HA PRO 8 40.360 23.879 26.057
52 HB2 PRO 8 HB1 PRO 8 39.477 21.489 26.976
53 HB3 PRO 8 HB2 PRO 8 40.761 22.396 27.812
54 HG2 PRO 8 HG1 PRO 8 37.784 22.440 28.438
55 HG3 PRO 8 HG2 PRO 8 39.124 22.014 29.543
56 HD2 PRO 8 HD1 PRO 8 38.191 24.515 29.486
57 HD3 PRO 8 HD2 PRO 8 39.943 24.271 29.535
58 H ALA 9 HN ALA 9 39.377 22.828 24.223
59 HA ALA 9 HA ALA 9 37.406 24.292 23.103
60 HB1 ALA 9 HB1 ALA 9 38.051 21.405 22.381
61 HB2 ALA 9 HB2 ALA 9 37.367 22.638 21.299
62 HB3 ALA 9 HB3 ALA 9 39.014 22.829 21.923
63 H GLY 10 HN GLY 10 36.667 21.552 25.106
64 HA2 GLY 10 HA1 GLY 10 33.776 21.496 24.503
65 HA3 GLY 10 HA2 GLY 10 34.643 20.617 25.790
66 H TRP 11 HN TRP 11 34.241 24.102 24.927
67 HA TRP 11 HA TRP 11 33.767 24.713 27.772
68 HB2 TRP 11 HB1 TRP 11 34.210 27.005 27.191
69 HB3 TRP 11 HB2 TRP 11 35.492 25.960 26.624
70 HD1 TRP 11 HD1 TRP 11 32.289 27.548 25.070
71 HE1 TRP 11 HE1 TRP 11 32.801 28.339 22.691
72 HE3 TRP 11 HE3 TRP 11 37.236 26.271 24.852
73 HZ2 TRP 11 HZ2 TRP 11 35.086 28.481 20.945
74 HZ3 TRP 11 HZ3 TRP 11 38.570 26.786 22.834
75 HH2 TRP 11 HH2 TRP 11 37.508 27.851 20.860
76 H GLU 12 HN GLU 12 32.150 25.838 28.557
77 HA GLU 12 HA GLU 12 30.226 27.417 27.464
78 HB2 GLU 12 HB1 GLU 12 29.189 25.362 26.415
79 HB3 GLU 12 HB2 GLU 12 29.002 24.678 28.014
80 HG2 GLU 12 HG1 GLU 12 26.910 25.652 27.283
81 HG3 GLU 12 HG2 GLU 12 27.522 26.607 28.633
82 H VAL 13 HN VAL 13 30.759 28.636 29.337
83 HA VAL 13 HA VAL 13 30.746 27.432 31.952
84 HB VAL 13 HB VAL 13 30.353 30.394 31.433
85 HG11 VAL 13 1HG1 VAL 13 31.240 28.858 33.900
86 HG12 VAL 13 2HG1 VAL 13 31.344 30.624 33.724
87 HG13 VAL 13 3HG1 VAL 13 29.766 29.835 33.737
88 HG21 VAL 13 3HG2 VAL 13 32.382 29.801 30.364
89 HG22 VAL 13 1HG2 VAL 13 32.871 30.425 31.933
90 HG23 VAL 13 2HG2 VAL 13 32.857 28.681 31.648
91 H ARG 14 HN ARG 14 29.174 26.589 32.958
92 HA ARG 14 HA ARG 14 26.530 27.927 33.144
93 HB2 ARG 14 HB1 ARG 14 27.351 25.079 33.862
94 HB3 ARG 14 HB2 ARG 14 25.720 25.704 34.004
95 HG2 ARG 14 HG1 ARG 14 27.116 25.530 31.293
96 HG3 ARG 14 HG2 ARG 14 26.339 24.149 32.045
97 HD2 ARG 14 HD1 ARG 14 24.817 25.116 30.488
98 HD3 ARG 14 HD2 ARG 14 24.193 25.304 32.122
99 HE ARG 14 HE ARG 14 25.332 27.450 30.367
100 HH11 ARG 14 1HH1 ARG 14 23.174 26.728 33.127
101 HH12 ARG 14 2HH1 ARG 14 22.950 28.430 33.428
102 HH21 ARG 14 1HH2 ARG 14 24.778 29.440 30.667
103 HH22 ARG 14 2HH2 ARG 14 23.915 30.000 32.082
104 H HIS 15 HN HIS 15 25.606 27.409 35.515
105 HA HIS 15 HA HIS 15 27.555 27.392 37.661
106 HB2 HIS 15 HB1 HIS 15 27.079 29.666 38.502
107 HB3 HIS 15 HB2 HIS 15 27.887 29.707 36.941
108 HD1 HIS 15 HD1 HIS 15 24.678 30.883 38.630
109 HD2 HIS 15 HD2 HIS 15 26.320 30.308 34.754
110 HE1 HIS 15 HE1 HIS 15 23.147 32.074 36.953
111 H SER 16 HN SER 16 26.672 27.119 39.712
112 HA SER 16 HA SER 16 24.104 25.861 39.759
113 HB2 SER 16 HB1 SER 16 25.744 26.772 42.130
114 HB3 SER 16 HB2 SER 16 24.554 25.464 42.091
115 HG SER 16 HG SER 16 25.951 24.234 40.843
116 H ASN 17 HN ASN 17 22.274 26.354 41.107
117 HA ASN 17 HA ASN 17 21.200 28.942 40.659
118 HB2 ASN 17 HB1 ASN 17 20.357 26.559 42.329
119 HB3 ASN 17 HB2 ASN 17 19.464 28.076 42.387
120 HD21 ASN 17 2HD2 ASN 17 20.763 25.818 39.843
121 HD22 ASN 17 1HD2 ASN 17 19.342 25.996 38.828
122 H SER 18 HN SER 18 22.403 27.534 43.732
123 HA SER 18 HA SER 18 22.344 30.260 45.027
124 HB2 SER 18 HB1 SER 18 21.922 27.552 46.305
125 HB3 SER 18 HB2 SER 18 21.585 29.136 47.017
126 HG SER 18 HG SER 18 19.872 29.388 45.458
127 H LYS 19 HN LYS 19 24.117 27.224 44.656
128 HA LYS 19 HA LYS 19 26.300 27.852 46.485
129 HB2 LYS 19 HB1 LYS 19 25.957 25.860 44.228
130 HB3 LYS 19 HB2 LYS 19 27.333 25.883 45.343
131 HG2 LYS 19 HG1 LYS 19 25.792 25.399 47.235
132 HG3 LYS 19 HG2 LYS 19 24.428 25.379 46.110
133 HD2 LYS 19 HD1 LYS 19 25.795 23.599 44.783
134 HD3 LYS 19 HD2 LYS 19 26.767 23.444 46.243
135 HE2 LYS 19 HE1 LYS 19 23.751 22.991 45.986
136 HE3 LYS 19 HE2 LYS 19 24.999 21.742 46.052
137 HZ1 LYS 19 HZ1 LYS 19 25.575 22.799 48.307
138 HZ2 LYS 19 HZ2 LYS 19 24.097 23.486 48.249
139 HZ3 LYS 19 HZ3 LYS 19 24.240 21.851 48.206
140 H ASN 20 HN ASN 20 28.477 28.389 45.876
141 HA ASN 20 HA ASN 20 28.133 30.663 44.096
142 HB2 ASN 20 HB1 ASN 20 30.237 30.069 46.192
143 HB3 ASN 20 HB2 ASN 20 30.016 31.615 45.364
144 HD21 ASN 20 2HD2 ASN 20 27.203 31.994 45.371
145 HD22 ASN 20 1HD2 ASN 20 26.779 32.207 47.056
146 H LEU 21 HN LEU 21 29.851 27.815 43.364
147 HA LEU 21 HA LEU 21 31.792 29.296 41.636
148 HB2 LEU 21 HB1 LEU 21 31.615 26.476 42.715
149 HB3 LEU 21 HB2 LEU 21 32.514 26.754 41.250
150 HG LEU 21 HG LEU 21 33.903 26.672 43.276
151 HD11 LEU 21 1HD1 LEU 21 34.044 29.350 41.838
152 HD12 LEU 21 2HD1 LEU 21 35.346 28.583 42.765
153 HD13 LEU 21 3HD1 LEU 21 34.756 27.814 41.287
154 HD21 LEU 21 3HD2 LEU 21 32.760 29.388 44.037
155 HD22 LEU 21 1HD2 LEU 21 32.355 27.852 44.837
156 HD23 LEU 21 2HD2 LEU 21 34.016 28.464 44.879
157 HA PRO 22 HA PRO 22 29.573 28.060 37.888
158 HB2 PRO 22 HB1 PRO 22 31.496 28.194 35.979
159 HB3 PRO 22 HB2 PRO 22 30.958 29.656 36.832
160 HG2 PRO 22 HG1 PRO 22 33.377 27.924 37.468
161 HG3 PRO 22 HG2 PRO 22 33.315 29.706 37.292
162 HD2 PRO 22 HD1 PRO 22 33.187 28.418 39.726
163 HD3 PRO 22 HD2 PRO 22 32.368 29.975 39.417
164 H TYR 23 HN TYR 23 29.821 26.392 36.083
165 HA TYR 23 HA TYR 23 31.864 24.369 36.452
166 HB2 TYR 23 HB1 TYR 23 30.596 22.433 36.501
167 HB3 TYR 23 HB2 TYR 23 29.875 23.445 37.729
168 HD1 TYR 23 HD1 TYR 23 29.416 21.815 34.464
169 HD2 TYR 23 HD2 TYR 23 27.573 24.339 37.426
170 HE1 TYR 23 HE1 TYR 23 27.193 21.359 33.451
171 HE2 TYR 23 HE2 TYR 23 25.335 23.889 36.414
172 HH TYR 23 HH TYR 23 24.920 21.764 33.544
173 H TYR 24 HN TYR 24 32.627 23.637 34.504
174 HA TYR 24 HA TYR 24 31.562 25.108 32.156
175 HB2 TYR 24 HB1 TYR 24 34.173 23.635 32.430
176 HB3 TYR 24 HB2 TYR 24 33.753 24.867 31.257
177 HD1 TYR 24 HD1 TYR 24 32.529 26.940 33.113
178 HD2 TYR 24 HD2 TYR 24 36.084 24.543 33.527
179 HE1 TYR 24 HE1 TYR 24 33.571 28.727 34.468
180 HE2 TYR 24 HE2 TYR 24 37.116 26.323 34.919
181 HH TYR 24 HH TYR 24 35.432 29.428 35.538
182 H PHE 25 HN PHE 25 30.037 24.017 31.077
183 HA PHE 25 HA PHE 25 29.913 21.099 30.972
184 HB2 PHE 25 HB1 PHE 25 27.922 22.500 31.170
185 HB3 PHE 25 HB2 PHE 25 28.308 23.338 29.684
186 HD1 PHE 25 HD2 PHE 25 27.383 20.002 31.081
187 HD2 PHE 25 HD1 PHE 25 27.592 22.456 27.536
188 HE1 PHE 25 HE2 PHE 25 25.899 18.411 29.885
189 HE2 PHE 25 HE1 PHE 25 26.098 20.870 26.357
190 HZ PHE 25 HZ PHE 25 25.256 18.844 27.523
191 H ASN 26 HN ASN 26 30.704 19.759 29.395
192 HA ASN 26 HA ASN 26 31.807 20.958 26.924
193 HB2 ASN 26 HB1 ASN 26 33.125 19.259 28.106
194 HB3 ASN 26 HB2 ASN 26 31.848 18.080 27.871
195 HD21 ASN 26 2HD2 ASN 26 34.549 17.774 26.909
196 HD22 ASN 26 1HD2 ASN 26 34.502 17.827 25.153
197 HA PRO 27 HA PRO 27 27.783 19.885 25.095
198 HB2 PRO 27 HB1 PRO 27 28.109 21.065 22.639
199 HB3 PRO 27 HB2 PRO 27 27.731 21.967 24.130
200 HG2 PRO 27 HG1 PRO 27 30.436 21.549 22.829
201 HG3 PRO 27 HG2 PRO 27 29.730 23.074 23.459
202 HD2 PRO 27 HD1 PRO 27 31.491 21.576 24.896
203 HD3 PRO 27 HD2 PRO 27 30.159 22.475 25.678
204 H ALA 28 HN ALA 28 30.976 19.252 23.547
205 HA ALA 28 HA ALA 28 29.767 17.487 21.542
206 HB1 ALA 28 HB1 ALA 28 32.641 18.405 22.009
207 HB2 ALA 28 HB2 ALA 28 32.038 17.536 20.582
208 HB3 ALA 28 HB3 ALA 28 31.456 19.175 20.921
209 H THR 29 HN THR 29 31.231 17.074 24.607
210 HA THR 29 HA THR 29 31.171 14.103 24.329
211 HB THR 29 HB THR 29 33.230 15.619 26.004
212 HG1 THR 29 HG1 THR 29 34.348 15.703 24.242
213 HG21 THR 29 1HG2 THR 29 32.911 12.666 25.331
214 HG22 THR 29 2HG2 THR 29 34.299 13.385 26.180
215 HG23 THR 29 3HG2 THR 29 32.705 13.419 26.927
216 H ARG 30 HN ARG 30 30.016 13.181 26.044
217 HA ARG 30 HA ARG 30 28.624 14.929 27.871
218 HB2 ARG 30 HB1 ARG 30 28.820 11.895 27.827
219 HB3 ARG 30 HB2 ARG 30 27.749 12.857 28.859
220 HG2 ARG 30 HG1 ARG 30 26.785 13.895 26.727
221 HG3 ARG 30 HG2 ARG 30 27.722 12.711 25.810
222 HD2 ARG 30 HD1 ARG 30 25.520 11.845 26.003
223 HD3 ARG 30 HD2 ARG 30 26.530 10.879 27.080
224 HE ARG 30 HE ARG 30 24.665 13.104 27.901
225 HH11 ARG 30 1HH1 ARG 30 26.153 9.988 28.809
226 HH12 ARG 30 2HH1 ARG 30 25.462 10.073 30.401
227 HH21 ARG 30 1HH2 ARG 30 23.723 13.048 29.784
228 HH22 ARG 30 2HH2 ARG 30 23.878 11.699 30.888
229 H GLU 31 HN GLU 31 30.167 16.067 28.957
230 HA GLU 31 HA GLU 31 31.401 14.956 31.343
231 HB2 GLU 31 HB1 GLU 31 32.932 14.502 29.155
232 HB3 GLU 31 HB2 GLU 31 33.380 16.176 29.426
233 HG2 GLU 31 HG1 GLU 31 35.005 14.878 30.565
234 HG3 GLU 31 HG2 GLU 31 33.972 15.475 31.846
235 H SER 32 HN SER 32 32.800 16.700 32.456
236 HA SER 32 HA SER 32 32.260 19.472 31.748
237 HB2 SER 32 HB1 SER 32 31.198 20.037 33.904
238 HB3 SER 32 HB2 SER 32 30.207 18.936 32.937
239 HG SER 32 HG SER 32 30.219 18.179 35.031
240 H ARG 33 HN ARG 33 33.462 20.996 33.014
241 HA ARG 33 HA ARG 33 35.874 19.914 34.411
242 HB2 ARG 33 HB1 ARG 33 35.962 20.885 31.907
243 HB3 ARG 33 HB2 ARG 33 35.871 22.418 32.718
244 HG2 ARG 33 HG1 ARG 33 38.119 22.088 32.327
245 HG3 ARG 33 HG2 ARG 33 37.924 21.755 34.052
246 HD2 ARG 33 HD1 ARG 33 39.430 20.133 33.040
247 HD3 ARG 33 HD2 ARG 33 37.982 19.329 33.603
248 HE ARG 33 HE ARG 33 37.176 19.341 31.227
249 HH11 ARG 33 1HH1 ARG 33 40.699 19.114 31.787
250 HH12 ARG 33 2HH1 ARG 33 40.951 18.624 30.143
251 HH21 ARG 33 1HH2 ARG 33 37.655 18.561 29.207
252 HH22 ARG 33 2HH2 ARG 33 39.303 18.326 28.727
253 H TRP 34 HN TRP 34 36.605 21.191 36.160
254 HA TRP 34 HA TRP 34 34.395 22.755 37.383
255 HB2 TRP 34 HB1 TRP 34 36.616 21.451 38.929
256 HB3 TRP 34 HB2 TRP 34 34.918 21.625 39.336
257 HD1 TRP 34 HD1 TRP 34 33.251 19.742 38.322
258 HE1 TRP 34 HE1 TRP 34 33.616 17.442 37.228
259 HE3 TRP 34 HE3 TRP 34 38.273 20.035 37.506
260 HZ2 TRP 34 HZ2 TRP 34 35.798 16.029 35.918
261 HZ3 TRP 34 HZ3 TRP 34 39.456 18.303 36.193
262 HH2 TRP 34 HH2 TRP 34 38.220 16.281 35.402
263 H GLU 35 HN GLU 35 37.842 22.941 36.849
264 HA GLU 35 HA GLU 35 38.064 25.798 37.555
265 HB2 GLU 35 HB1 GLU 35 39.645 23.480 38.730
266 HB3 GLU 35 HB2 GLU 35 40.307 25.094 38.731
267 HG2 GLU 35 HG1 GLU 35 37.636 24.487 40.066
268 HG3 GLU 35 HG2 GLU 35 39.165 24.209 40.858
269 HA PRO 36 HA PRO 36 40.347 25.746 33.809
270 HB2 PRO 36 HB1 PRO 36 42.723 27.151 34.207
271 HB3 PRO 36 HB2 PRO 36 41.093 27.851 33.978
272 HG2 PRO 36 HG1 PRO 36 42.548 27.279 36.570
273 HG3 PRO 36 HG2 PRO 36 41.645 28.757 36.103
274 HD2 PRO 36 HD1 PRO 36 40.519 26.894 37.671
275 HD3 PRO 36 HD2 PRO 36 39.553 27.667 36.386
276 HA PRO 37 HA PRO 37 43.088 22.100 34.363
277 HB2 PRO 37 HB1 PRO 37 42.481 20.781 32.111
278 HB3 PRO 37 HB2 PRO 37 41.271 21.055 33.400
279 HG2 PRO 37 HG1 PRO 37 41.717 22.710 30.874
280 HG3 PRO 37 HG2 PRO 37 40.181 21.974 31.423
281 HD2 PRO 37 HD1 PRO 37 40.725 24.531 32.037
282 HD3 PRO 37 HD2 PRO 37 39.923 23.416 33.182
283 H ALA 38 HN ALA 38 44.769 20.874 32.867
284 HA ALA 38 HA ALA 38 46.724 22.696 31.866
285 HB1 ALA 38 HB1 ALA 38 46.413 19.689 31.478
286 HB2 ALA 38 HB2 ALA 38 47.880 20.626 31.133
287 HB3 ALA 38 HB3 ALA 38 47.289 20.510 32.795
288 H ASP 39 HN ASP 39 44.156 20.966 30.075
289 HA ASP 39 HA ASP 39 45.184 21.630 27.454
290 HB2 ASP 39 HB1 ASP 39 43.684 19.706 28.025
291 HB3 ASP 39 HB2 ASP 39 42.367 20.835 28.293
292 H THR 40 HN THR 40 44.093 23.769 29.657
293 HA THR 40 HA THR 40 42.227 25.342 28.043
294 HB THR 40 HB THR 40 42.329 24.776 30.598
295 HG1 THR 40 HG1 THR 40 41.520 27.311 29.686
296 HG21 THR 40 1HG2 THR 40 43.475 27.594 30.683
297 HG22 THR 40 2HG2 THR 40 43.143 26.489 32.030
298 HG23 THR 40 3HG2 THR 40 44.506 26.169 30.942
299 H ASP 41 HN ASP 41 42.516 27.817 28.112
300 HA ASP 41 HA ASP 41 45.181 28.486 26.994
301 HB2 ASP 41 HB1 ASP 41 43.309 27.968 25.323
302 HB3 ASP 41 HB2 ASP 41 42.482 29.377 25.961
303 H MET 42 HN MET 42 44.788 29.038 29.541
304 HA MET 42 HA MET 42 43.952 31.143 30.747
305 HB2 MET 42 HB1 MET 42 46.789 30.216 30.550
306 HB3 MET 42 HB2 MET 42 46.357 31.583 31.588
307 HG2 MET 42 HG1 MET 42 44.597 30.266 32.692
308 HG3 MET 42 HG2 MET 42 44.942 28.887 31.680
309 HE1 MET 42 HE1 MET 42 48.207 27.392 32.904
310 HE2 MET 42 HE2 MET 42 46.684 27.138 32.045
311 HE3 MET 42 HE3 MET 42 47.857 28.331 31.437
312 H GLU 43 HN GLU 43 46.300 31.837 28.066
313 HA GLU 43 HA GLU 43 46.364 34.637 28.387
314 HB2 GLU 43 HB1 GLU 43 47.731 33.270 26.805
315 HB3 GLU 43 HB2 GLU 43 46.307 33.000 25.807
316 HG2 GLU 43 HG1 GLU 43 47.732 34.762 24.872
317 HG3 GLU 43 HG2 GLU 43 46.150 35.397 25.318
318 H THR 44 HN THR 44 44.057 32.735 26.418
319 HA THR 44 HA THR 44 42.211 34.936 25.911
320 HB THR 44 HB THR 44 41.829 31.923 25.558
321 HG1 THR 44 HG1 THR 44 43.109 32.019 23.964
322 HG21 THR 44 1HG2 THR 44 40.367 32.677 23.641
323 HG22 THR 44 2HG2 THR 44 39.718 33.196 25.200
324 HG23 THR 44 3HG2 THR 44 40.572 34.360 24.183
325 H LEU 45 HN LEU 45 42.823 33.135 28.734
326 HA LEU 45 HA LEU 45 40.047 33.651 29.679
327 HB2 LEU 45 HB1 LEU 45 42.306 32.163 30.990
328 HB3 LEU 45 HB2 LEU 45 40.904 32.626 31.873
329 HG LEU 45 HG LEU 45 40.831 30.971 29.390
330 HD11 LEU 45 1HD1 LEU 45 40.781 30.096 32.295
331 HD12 LEU 45 2HD1 LEU 45 40.422 29.033 30.930
332 HD13 LEU 45 3HD1 LEU 45 42.032 29.751 31.087
333 HD21 LEU 45 3HD2 LEU 45 38.626 32.093 29.939
334 HD22 LEU 45 1HD2 LEU 45 38.599 30.343 29.869
335 HD23 LEU 45 2HD2 LEU 45 38.626 31.121 31.451
336 H LYS 46 HN LYS 46 43.317 35.023 29.892
337 HA LYS 46 HA LYS 46 42.785 36.050 32.447
338 HB2 LYS 46 HB1 LYS 46 44.856 36.481 30.320
339 HB3 LYS 46 HB2 LYS 46 44.557 37.929 31.244
340 HG2 LYS 46 HG1 LYS 46 46.366 36.932 32.270
341 HG3 LYS 46 HG2 LYS 46 45.033 36.660 33.371
342 HD2 LYS 46 HD1 LYS 46 46.078 34.616 31.365
343 HD3 LYS 46 HD2 LYS 46 46.701 34.755 32.981
344 HE2 LYS 46 HE1 LYS 46 43.775 34.065 32.372
345 HE3 LYS 46 HE2 LYS 46 45.041 32.897 32.675
346 HZ1 LYS 46 HZ1 LYS 46 45.435 34.019 34.841
347 HZ2 LYS 46 HZ2 LYS 46 44.048 34.887 34.611
348 HZ3 LYS 46 HZ3 LYS 46 43.993 33.240 34.717
349 H MET 47 HN MET 47 42.267 37.384 29.285
350 HA MET 47 HA MET 47 40.832 39.792 29.783
351 HB2 MET 47 HB1 MET 47 40.007 39.401 27.477
352 HB3 MET 47 HB2 MET 47 41.751 39.176 27.599
353 HG2 MET 47 HG1 MET 47 41.530 36.769 27.560
354 HG3 MET 47 HG2 MET 47 39.773 36.857 27.644
355 HE1 MET 47 HE1 MET 47 38.642 38.762 25.664
356 HE2 MET 47 HE2 MET 47 38.584 37.761 24.205
357 HE3 MET 47 HE3 MET 47 38.233 37.037 25.789
358 H TYR 48 HN TYR 48 39.869 36.629 30.601
359 HA TYR 48 HA TYR 48 36.952 37.273 30.502
360 HB2 TYR 48 HB1 TYR 48 37.496 35.349 29.132
361 HB3 TYR 48 HB2 TYR 48 38.478 34.626 30.387
362 HD1 TYR 48 HD2 TYR 48 34.939 35.884 29.995
363 HD2 TYR 48 HD1 TYR 48 37.637 32.968 31.666
364 HE1 TYR 48 HE2 TYR 48 33.039 34.822 31.188
365 HE2 TYR 48 HE1 TYR 48 35.738 31.886 32.849
366 HH TYR 48 HH TYR 48 33.543 32.072 33.440
367 H MET 49 HN MET 49 39.151 35.251 32.440
368 HA MET 49 HA MET 49 37.482 34.945 34.692
369 HB2 MET 49 HB1 MET 49 40.459 34.463 34.173
370 HB3 MET 49 HB2 MET 49 39.672 34.062 35.712
371 HG2 MET 49 HG1 MET 49 38.011 32.703 34.234
372 HG3 MET 49 HG2 MET 49 39.236 32.927 32.971
373 HE1 MET 49 HE1 MET 49 39.118 32.044 36.821
374 HE2 MET 49 HE2 MET 49 38.066 30.883 35.975
375 HE3 MET 49 HE3 MET 49 39.562 30.329 36.747
376 H ALA 50 HN ALA 50 39.493 37.693 33.999
377 HA ALA 50 HA ALA 50 38.913 38.752 36.730
378 HB1 ALA 50 HB1 ALA 50 41.480 39.087 35.112
379 HB2 ALA 50 HB2 ALA 50 41.095 39.953 36.610
380 HB3 ALA 50 HB3 ALA 50 41.300 38.196 36.645
381 H THR 51 HN THR 51 38.362 40.934 36.809
382 HA THR 51 HA THR 51 37.330 42.088 34.266
383 HB THR 51 HB THR 51 36.696 42.682 37.183
384 HG1 THR 51 HG1 THR 51 34.975 41.450 36.800
385 HG21 THR 51 1HG2 THR 51 36.264 44.702 35.831
386 HG22 THR 51 2HG2 THR 51 35.400 43.730 34.618
387 HG23 THR 51 3HG2 THR 51 34.738 43.920 36.259
388 H TYR 52 HN TYR 52 39.011 43.389 37.223
389 HA TYR 52 HA TYR 52 40.465 45.311 35.497
390 HB2 TYR 52 HB1 TYR 52 39.621 45.925 37.795
391 HB3 TYR 52 HB2 TYR 52 40.809 44.811 38.461
392 HD1 TYR 52 HD1 TYR 52 40.285 47.979 36.643
393 HD2 TYR 52 HD2 TYR 52 43.221 45.346 38.370
394 HE1 TYR 52 HE1 TYR 52 42.014 49.756 36.392
395 HE2 TYR 52 HE2 TYR 52 44.963 47.112 38.112
396 HH TYR 52 HH TYR 52 44.220 50.331 36.697
397 H HIS 53 HN HIS 53 42.741 45.129 35.152
398 HA HIS 53 HA HIS 53 43.841 42.361 35.521
399 HB2 HIS 53 HB1 HIS 53 44.267 44.290 33.211
400 HB3 HIS 53 HB2 HIS 53 44.940 42.669 33.360
401 HD1 HIS 53 HD1 HIS 53 42.379 44.118 31.373
402 HD2 HIS 53 HD2 HIS 53 42.471 40.972 34.206
403 HE1 HIS 53 HE1 HIS 53 40.258 42.721 31.018
Start of MODEL 2
1 H SER 1 H SER 1 25.824 40.788 28.346
2 HA SER 1 HA SER 1 27.230 41.990 26.900
3 HB2 SER 1 HB1 SER 1 27.967 43.703 28.527
4 HB3 SER 1 HB2 SER 1 29.031 42.495 29.289
5 HG SER 1 HG SER 1 30.034 43.828 27.623
6 H MET 2 HN MET 2 28.615 40.858 25.717
7 HA MET 2 HA MET 2 28.839 38.082 26.283
8 HB2 MET 2 HB1 MET 2 29.685 37.916 24.043
9 HB3 MET 2 HB2 MET 2 28.447 39.141 24.062
10 HG2 MET 2 HG1 MET 2 29.937 40.358 22.897
11 HG3 MET 2 HG2 MET 2 30.621 40.729 24.469
12 HE1 MET 2 HE1 MET 2 30.653 37.553 22.074
13 HE2 MET 2 HE2 MET 2 30.900 39.018 21.104
14 HE3 MET 2 HE3 MET 2 32.197 37.826 21.257
15 H VAL 3 HN VAL 3 30.792 36.742 25.867
16 HA VAL 3 HA VAL 3 33.343 37.896 26.855
17 HB VAL 3 HB VAL 3 33.709 36.008 28.420
18 HG11 VAL 3 1HG1 VAL 3 31.332 37.721 29.217
19 HG12 VAL 3 2HG1 VAL 3 32.511 36.941 30.288
20 HG13 VAL 3 3HG1 VAL 3 33.031 38.255 29.223
21 HG21 VAL 3 3HG2 VAL 3 30.721 35.470 28.120
22 HG22 VAL 3 1HG2 VAL 3 32.037 34.379 27.632
23 HG23 VAL 3 2HG2 VAL 3 31.789 34.756 29.339
24 H ASN 4 HN ASN 4 35.168 36.905 26.261
25 HA ASN 4 HA ASN 4 35.082 34.455 24.550
26 HB2 ASN 4 HB1 ASN 4 36.408 36.547 23.838
27 HB3 ASN 4 HB2 ASN 4 37.491 36.220 25.171
28 HD21 ASN 4 2HD2 ASN 4 38.799 36.302 22.875
29 HD22 ASN 4 1HD2 ASN 4 39.140 34.692 22.275
30 H THR 5 HN THR 5 36.456 32.674 25.199
31 HA THR 5 HA THR 5 37.702 32.728 27.939
32 HB THR 5 HB THR 5 36.999 30.502 28.428
33 HG1 THR 5 HG1 THR 5 35.506 30.775 26.044
34 HG21 THR 5 1HG2 THR 5 34.631 32.349 27.933
35 HG22 THR 5 2HG2 THR 5 34.786 31.067 29.174
36 HG23 THR 5 3HG2 THR 5 35.840 32.494 29.221
37 H GLY 6 HN GLY 6 39.656 32.096 27.841
38 HA2 GLY 6 HA1 GLY 6 40.707 30.289 25.768
39 HA3 GLY 6 HA2 GLY 6 41.559 30.908 27.195
40 H LEU 7 HN LEU 7 38.440 29.079 26.903
41 HA LEU 7 HA LEU 7 39.545 27.117 28.840
42 HB2 LEU 7 HB1 LEU 7 36.805 28.101 28.286
43 HB3 LEU 7 HB2 LEU 7 36.946 26.415 28.743
44 HG LEU 7 HG LEU 7 38.204 28.643 30.386
45 HD11 LEU 7 1HD1 LEU 7 35.491 27.300 30.756
46 HD12 LEU 7 2HD1 LEU 7 36.245 28.450 31.880
47 HD13 LEU 7 3HD1 LEU 7 35.763 28.985 30.262
48 HD21 LEU 7 3HD2 LEU 7 37.494 25.773 31.169
49 HD22 LEU 7 1HD2 LEU 7 39.132 26.348 30.832
50 HD23 LEU 7 2HD2 LEU 7 38.241 27.002 32.205
51 HA PRO 8 HA PRO 8 39.870 24.055 25.630
52 HB2 PRO 8 HB1 PRO 8 39.450 21.670 26.844
53 HB3 PRO 8 HB2 PRO 8 40.673 22.786 27.475
54 HG2 PRO 8 HG1 PRO 8 37.738 22.646 28.337
55 HG3 PRO 8 HG2 PRO 8 39.160 22.283 29.343
56 HD2 PRO 8 HD1 PRO 8 38.204 24.767 29.328
57 HD3 PRO 8 HD2 PRO 8 39.960 24.536 29.168
58 H ALA 9 HN ALA 9 38.344 21.637 25.219
59 HA ALA 9 HA ALA 9 36.061 22.438 23.747
60 HB1 ALA 9 HB1 ALA 9 36.818 19.731 24.944
61 HB2 ALA 9 HB2 ALA 9 35.661 19.996 23.625
62 HB3 ALA 9 HB3 ALA 9 37.378 20.377 23.384
63 H GLY 10 HN GLY 10 36.291 22.048 27.145
64 HA2 GLY 10 HA1 GLY 10 33.325 21.963 27.539
65 HA3 GLY 10 HA2 GLY 10 34.543 21.502 28.754
66 H TRP 11 HN TRP 11 33.282 24.210 26.883
67 HA TRP 11 HA TRP 11 34.097 26.055 29.094
68 HB2 TRP 11 HB1 TRP 11 34.618 27.736 27.577
69 HB3 TRP 11 HB2 TRP 11 35.442 26.285 27.048
70 HD1 TRP 11 HD1 TRP 11 31.903 26.513 25.669
71 HE1 TRP 11 HE1 TRP 11 31.997 27.260 23.221
72 HE3 TRP 11 HE3 TRP 11 36.814 27.919 25.445
73 HZ2 TRP 11 HZ2 TRP 11 33.901 28.487 21.454
74 HZ3 TRP 11 HZ3 TRP 11 37.742 28.903 23.375
75 HH2 TRP 11 HH2 TRP 11 36.280 29.237 21.379
76 H GLU 12 HN GLU 12 31.342 24.695 27.947
77 HA GLU 12 HA GLU 12 29.747 27.105 27.572
78 HB2 GLU 12 HB1 GLU 12 29.460 24.909 26.352
79 HB3 GLU 12 HB2 GLU 12 28.865 24.199 27.840
80 HG2 GLU 12 HG1 GLU 12 26.996 24.842 26.424
81 HG3 GLU 12 HG2 GLU 12 26.994 25.857 27.869
82 H VAL 13 HN VAL 13 29.447 28.372 29.414
83 HA VAL 13 HA VAL 13 29.533 27.289 32.047
84 HB VAL 13 HB VAL 13 28.510 29.968 31.056
85 HG11 VAL 13 1HG1 VAL 13 29.089 29.156 33.927
86 HG12 VAL 13 2HG1 VAL 13 28.794 30.813 33.371
87 HG13 VAL 13 3HG1 VAL 13 27.499 29.618 33.277
88 HG21 VAL 13 3HG2 VAL 13 31.128 29.169 32.424
89 HG22 VAL 13 1HG2 VAL 13 30.947 29.499 30.692
90 HG23 VAL 13 2HG2 VAL 13 30.687 30.796 31.862
91 H ARG 14 HN ARG 14 28.114 26.409 33.335
92 HA ARG 14 HA ARG 14 25.180 26.878 33.019
93 HB2 ARG 14 HB1 ARG 14 26.708 24.338 33.700
94 HB3 ARG 14 HB2 ARG 14 24.976 24.488 33.935
95 HG2 ARG 14 HG1 ARG 14 26.072 24.931 31.142
96 HG3 ARG 14 HG2 ARG 14 26.102 23.313 31.830
97 HD2 ARG 14 HD1 ARG 14 23.620 23.596 32.368
98 HD3 ARG 14 HD2 ARG 14 23.645 25.000 31.299
99 HE ARG 14 HE ARG 14 23.961 22.127 30.604
100 HH11 ARG 14 1HH1 ARG 14 23.977 25.414 29.260
101 HH12 ARG 14 2HH1 ARG 14 23.815 24.818 27.630
102 HH21 ARG 14 1HH2 ARG 14 23.854 21.450 28.618
103 HH22 ARG 14 2HH2 ARG 14 23.860 22.544 27.239
104 H HIS 15 HN HIS 15 24.472 27.906 34.863
105 HA HIS 15 HA HIS 15 26.163 27.811 37.281
106 HB2 HIS 15 HB1 HIS 15 25.153 29.897 36.086
107 HB3 HIS 15 HB2 HIS 15 23.719 29.525 37.048
108 HD1 HIS 15 HD1 HIS 15 27.465 30.492 37.461
109 HD2 HIS 15 HD2 HIS 15 23.827 30.194 39.627
110 HE1 HIS 15 HE1 HIS 15 27.840 31.591 39.731
111 H SER 16 HN SER 16 24.145 25.561 36.480
112 HA SER 16 HA SER 16 22.213 25.441 38.645
113 HB2 SER 16 HB1 SER 16 23.151 23.058 37.052
114 HB3 SER 16 HB2 SER 16 21.568 23.369 37.757
115 HG SER 16 HG SER 16 21.924 23.621 35.393
116 H ASN 17 HN ASN 17 22.838 25.264 40.685
117 HA ASN 17 HA ASN 17 24.132 23.216 41.963
118 HB2 ASN 17 HB1 ASN 17 26.223 24.064 40.758
119 HB3 ASN 17 HB2 ASN 17 26.038 25.579 41.619
120 HD21 ASN 17 2HD2 ASN 17 28.368 23.993 41.818
121 HD22 ASN 17 1HD2 ASN 17 28.431 23.266 43.428
122 H SER 18 HN SER 18 23.581 23.490 44.045
123 HA SER 18 HA SER 18 22.105 25.687 45.180
124 HB2 SER 18 HB1 SER 18 23.821 23.572 46.551
125 HB3 SER 18 HB2 SER 18 22.553 24.544 47.310
126 HG SER 18 HG SER 18 21.865 22.450 46.751
127 H LYS 19 HN LYS 19 25.562 25.168 44.802
128 HA LYS 19 HA LYS 19 26.189 27.461 46.588
129 HB2 LYS 19 HB1 LYS 19 28.158 25.481 45.417
130 HB3 LYS 19 HB2 LYS 19 28.380 26.601 46.762
131 HG2 LYS 19 HG1 LYS 19 26.701 24.070 46.740
132 HG3 LYS 19 HG2 LYS 19 28.205 24.339 47.609
133 HD2 LYS 19 HD1 LYS 19 27.135 25.926 49.127
134 HD3 LYS 19 HD2 LYS 19 25.638 25.893 48.183
135 HE2 LYS 19 HE1 LYS 19 25.547 23.378 48.590
136 HE3 LYS 19 HE2 LYS 19 26.836 23.603 49.776
137 HZ1 LYS 19 HZ1 LYS 19 24.187 24.956 49.851
138 HZ2 LYS 19 HZ2 LYS 19 24.612 23.664 50.781
139 HZ3 LYS 19 HZ3 LYS 19 25.344 25.129 50.975
140 H ASN 20 HN ASN 20 27.349 29.242 45.819
141 HA ASN 20 HA ASN 20 26.164 29.907 43.338
142 HB2 ASN 20 HB1 ASN 20 26.226 31.238 45.483
143 HB3 ASN 20 HB2 ASN 20 27.890 31.678 45.092
144 HD21 ASN 20 2HD2 ASN 20 27.243 33.917 45.059
145 HD22 ASN 20 1HD2 ASN 20 26.300 34.573 43.730
146 H LEU 21 HN LEU 21 28.570 28.204 42.850
147 HA LEU 21 HA LEU 21 29.952 29.967 40.872
148 HB2 LEU 21 HB1 LEU 21 31.022 27.769 42.627
149 HB3 LEU 21 HB2 LEU 21 31.615 27.827 40.987
150 HG LEU 21 HG LEU 21 33.099 28.932 42.562
151 HD11 LEU 21 1HD1 LEU 21 31.970 30.927 40.560
152 HD12 LEU 21 2HD1 LEU 21 33.588 30.927 41.280
153 HD13 LEU 21 3HD1 LEU 21 33.123 29.615 40.194
154 HD21 LEU 21 3HD2 LEU 21 31.009 31.115 42.898
155 HD22 LEU 21 1HD2 LEU 21 31.381 29.867 44.111
156 HD23 LEU 21 2HD2 LEU 21 32.621 31.034 43.627
157 HA PRO 22 HA PRO 22 28.060 27.170 37.936
158 HB2 PRO 22 HB1 PRO 22 29.397 27.791 35.654
159 HB3 PRO 22 HB2 PRO 22 28.322 28.977 36.446
160 HG2 PRO 22 HG1 PRO 22 31.340 28.729 36.700
161 HG3 PRO 22 HG2 PRO 22 30.377 30.202 36.359
162 HD2 PRO 22 HD1 PRO 22 31.240 29.525 38.896
163 HD3 PRO 22 HD2 PRO 22 29.701 30.387 38.606
164 H TYR 23 HN TYR 23 28.577 25.453 36.445
165 HA TYR 23 HA TYR 23 31.355 24.383 36.515
166 HB2 TYR 23 HB1 TYR 23 30.583 22.195 36.013
167 HB3 TYR 23 HB2 TYR 23 29.772 22.724 37.470
168 HD1 TYR 23 HD1 TYR 23 27.317 23.236 37.438
169 HD2 TYR 23 HD2 TYR 23 29.360 21.717 33.965
170 HE1 TYR 23 HE1 TYR 23 25.144 22.590 36.449
171 HE2 TYR 23 HE2 TYR 23 27.174 21.068 32.962
172 HH TYR 23 HH TYR 23 24.038 21.769 34.540
173 H TYR 24 HN TYR 24 32.080 23.607 34.392
174 HA TYR 24 HA TYR 24 30.769 25.025 32.102
175 HB2 TYR 24 HB1 TYR 24 33.444 23.744 31.828
176 HB3 TYR 24 HB2 TYR 24 32.787 25.149 31.024
177 HD1 TYR 24 HD1 TYR 24 32.100 26.922 33.387
178 HD2 TYR 24 HD2 TYR 24 35.524 24.429 32.586
179 HE1 TYR 24 HE1 TYR 24 33.463 28.288 34.952
180 HE2 TYR 24 HE2 TYR 24 36.889 25.790 34.151
181 HH TYR 24 HH TYR 24 35.480 28.515 36.004
182 H PHE 25 HN PHE 25 29.643 23.770 30.711
183 HA PHE 25 HA PHE 25 29.693 20.843 30.980
184 HB2 PHE 25 HB1 PHE 25 27.567 21.894 30.830
185 HB3 PHE 25 HB2 PHE 25 28.014 22.807 29.400
186 HD1 PHE 25 HD2 PHE 25 28.184 19.142 30.356
187 HD2 PHE 25 HD1 PHE 25 26.838 22.083 27.493
188 HE1 PHE 25 HE2 PHE 25 27.328 17.355 28.885
189 HE2 PHE 25 HE1 PHE 25 25.826 20.298 26.140
190 HZ PHE 25 HZ PHE 25 26.067 17.914 26.821
191 H ASN 26 HN ASN 26 30.386 19.395 29.538
192 HA ASN 26 HA ASN 26 32.033 20.222 27.213
193 HB2 ASN 26 HB1 ASN 26 31.762 17.674 28.840
194 HB3 ASN 26 HB2 ASN 26 32.559 17.720 27.278
195 HD21 ASN 26 2HD2 ASN 26 34.674 18.299 27.171
196 HD22 ASN 26 1HD2 ASN 26 35.561 19.083 28.464
197 HA PRO 27 HA PRO 27 27.920 19.363 25.286
198 HB2 PRO 27 HB1 PRO 27 28.674 20.326 22.727
199 HB3 PRO 27 HB2 PRO 27 27.805 21.184 24.020
200 HG2 PRO 27 HG1 PRO 27 30.757 21.196 23.386
201 HG3 PRO 27 HG2 PRO 27 29.717 22.568 23.897
202 HD2 PRO 27 HD1 PRO 27 31.347 21.370 25.647
203 HD3 PRO 27 HD2 PRO 27 29.695 21.842 26.140
204 H ALA 28 HN ALA 28 31.094 18.237 24.177
205 HA ALA 28 HA ALA 28 29.872 16.270 22.360
206 HB1 ALA 28 HB1 ALA 28 32.766 16.891 23.049
207 HB2 ALA 28 HB2 ALA 28 32.201 15.859 21.716
208 HB3 ALA 28 HB3 ALA 28 31.843 17.594 21.700
209 H THR 29 HN THR 29 30.390 16.174 25.701
210 HA THR 29 HA THR 29 31.023 13.242 25.757
211 HB THR 29 HB THR 29 32.464 15.333 27.441
212 HG1 THR 29 HG1 THR 29 33.500 13.974 25.177
213 HG21 THR 29 1HG2 THR 29 33.068 12.394 26.869
214 HG22 THR 29 2HG2 THR 29 34.148 13.510 27.730
215 HG23 THR 29 3HG2 THR 29 32.583 13.096 28.428
216 H ARG 30 HN ARG 30 30.321 12.131 27.650
217 HA ARG 30 HA ARG 30 28.365 13.575 29.353
218 HB2 ARG 30 HB1 ARG 30 29.148 10.648 29.240
219 HB3 ARG 30 HB2 ARG 30 27.965 11.347 30.349
220 HG2 ARG 30 HG1 ARG 30 26.484 11.965 28.573
221 HG3 ARG 30 HG2 ARG 30 27.703 11.642 27.338
222 HD2 ARG 30 HD1 ARG 30 26.077 9.877 27.319
223 HD3 ARG 30 HD2 ARG 30 27.649 9.250 27.828
224 HE ARG 30 HE ARG 30 26.363 9.800 30.218
225 HH11 ARG 30 1HH1 ARG 30 25.811 7.592 27.518
226 HH12 ARG 30 2HH1 ARG 30 24.633 6.663 28.410
227 HH21 ARG 30 1HH2 ARG 30 24.946 8.485 31.359
228 HH22 ARG 30 2HH2 ARG 30 24.180 7.141 30.558
229 H GLU 31 HN GLU 31 30.179 15.010 30.008
230 HA GLU 31 HA GLU 31 31.230 14.318 32.631
231 HB2 GLU 31 HB1 GLU 31 32.907 13.284 31.119
232 HB3 GLU 31 HB2 GLU 31 33.132 14.827 30.310
233 HG2 GLU 31 HG1 GLU 31 34.969 14.294 31.820
234 HG3 GLU 31 HG2 GLU 31 34.184 15.774 32.306
235 H SER 32 HN SER 32 32.413 16.325 33.558
236 HA SER 32 HA SER 32 31.867 18.865 32.110
237 HB2 SER 32 HB1 SER 32 30.888 19.927 34.060
238 HB3 SER 32 HB2 SER 32 29.927 18.508 33.620
239 HG SER 32 HG SER 32 30.365 18.661 35.912
240 H ARG 33 HN ARG 33 32.953 20.725 32.989
241 HA ARG 33 HA ARG 33 35.510 20.134 34.405
242 HB2 ARG 33 HB1 ARG 33 35.570 20.569 31.855
243 HB3 ARG 33 HB2 ARG 33 35.066 22.201 32.219
244 HG2 ARG 33 HG1 ARG 33 37.449 22.203 31.895
245 HG3 ARG 33 HG2 ARG 33 37.157 22.490 33.611
246 HD2 ARG 33 HD1 ARG 33 39.020 20.974 33.290
247 HD3 ARG 33 HD2 ARG 33 37.717 20.162 34.142
248 HE ARG 33 HE ARG 33 38.563 19.734 31.301
249 HH11 ARG 33 1HH1 ARG 33 36.615 18.400 33.988
250 HH12 ARG 33 2HH1 ARG 33 36.871 16.787 33.423
251 HH21 ARG 33 1HH2 ARG 33 38.641 17.717 30.583
252 HH22 ARG 33 2HH2 ARG 33 37.902 16.396 31.467
253 H TRP 34 HN TRP 34 36.353 21.927 35.631
254 HA TRP 34 HA TRP 34 34.239 23.665 36.859
255 HB2 TRP 34 HB1 TRP 34 35.760 22.434 38.919
256 HB3 TRP 34 HB2 TRP 34 34.084 22.183 38.503
257 HD1 TRP 34 HD1 TRP 34 33.433 19.810 37.968
258 HE1 TRP 34 HE1 TRP 34 34.572 17.661 37.184
259 HE3 TRP 34 HE3 TRP 34 38.196 21.597 37.290
260 HZ2 TRP 34 HZ2 TRP 34 37.157 16.839 36.236
261 HZ3 TRP 34 HZ3 TRP 34 39.961 20.114 36.389
262 HH2 TRP 34 HH2 TRP 34 39.453 17.740 35.849
263 H GLU 35 HN GLU 35 37.509 23.487 35.911
264 HA GLU 35 HA GLU 35 38.324 26.002 37.144
265 HB2 GLU 35 HB1 GLU 35 39.797 23.374 37.646
266 HB3 GLU 35 HB2 GLU 35 40.375 24.973 38.096
267 HG2 GLU 35 HG1 GLU 35 38.450 25.184 39.682
268 HG3 GLU 35 HG2 GLU 35 38.039 23.496 39.331
269 HA PRO 36 HA PRO 36 40.482 25.931 33.243
270 HB2 PRO 36 HB1 PRO 36 42.826 27.329 33.670
271 HB3 PRO 36 HB2 PRO 36 41.193 28.054 33.556
272 HG2 PRO 36 HG1 PRO 36 42.755 27.301 36.039
273 HG3 PRO 36 HG2 PRO 36 41.866 28.815 35.684
274 HD2 PRO 36 HD1 PRO 36 40.779 26.851 37.191
275 HD3 PRO 36 HD2 PRO 36 39.778 27.798 36.058
276 HA PRO 37 HA PRO 37 43.241 22.325 33.882
277 HB2 PRO 37 HB1 PRO 37 42.689 20.985 31.595
278 HB3 PRO 37 HB2 PRO 37 41.479 21.206 32.886
279 HG2 PRO 37 HG1 PRO 37 41.793 22.822 30.340
280 HG3 PRO 37 HG2 PRO 37 40.311 22.084 31.039
281 HD2 PRO 37 HD1 PRO 37 40.939 24.693 31.467
282 HD3 PRO 37 HD2 PRO 37 40.057 23.664 32.616
283 H ALA 38 HN ALA 38 44.709 21.151 31.659
284 HA ALA 38 HA ALA 38 46.752 23.289 31.293
285 HB1 ALA 38 HB1 ALA 38 47.467 21.240 32.378
286 HB2 ALA 38 HB2 ALA 38 46.920 20.267 30.991
287 HB3 ALA 38 HB3 ALA 38 48.266 21.412 30.819
288 H ASP 39 HN ASP 39 44.551 21.345 29.361
289 HA ASP 39 HA ASP 39 45.598 22.144 26.761
290 HB2 ASP 39 HB1 ASP 39 44.234 20.107 27.342
291 HB3 ASP 39 HB2 ASP 39 42.857 21.165 27.626
292 H THR 40 HN THR 40 44.300 24.001 29.113
293 HA THR 40 HA THR 40 42.488 25.727 27.610
294 HB THR 40 HB THR 40 42.643 24.902 30.146
295 HG1 THR 40 HG1 THR 40 41.632 27.379 29.297
296 HG21 THR 40 1HG2 THR 40 43.637 27.764 30.436
297 HG22 THR 40 2HG2 THR 40 43.315 26.548 31.683
298 HG23 THR 40 3HG2 THR 40 44.715 26.355 30.616
299 H ASP 41 HN ASP 41 42.860 28.208 27.938
300 HA ASP 41 HA ASP 41 45.615 28.926 27.083
301 HB2 ASP 41 HB1 ASP 41 43.865 28.607 25.200
302 HB3 ASP 41 HB2 ASP 41 43.026 29.971 25.886
303 H MET 42 HN MET 42 45.258 29.393 29.627
304 HA MET 42 HA MET 42 44.143 31.467 30.751
305 HB2 MET 42 HB1 MET 42 47.067 30.765 30.977
306 HB3 MET 42 HB2 MET 42 46.262 31.954 32.010
307 HG2 MET 42 HG1 MET 42 44.461 30.036 32.351
308 HG3 MET 42 HG2 MET 42 45.787 28.980 31.863
309 HE1 MET 42 HE1 MET 42 47.979 28.687 33.116
310 HE2 MET 42 HE2 MET 42 48.358 30.424 33.088
311 HE3 MET 42 HE3 MET 42 48.442 29.521 34.613
312 H GLU 43 HN GLU 43 46.637 32.195 28.260
313 HA GLU 43 HA GLU 43 46.637 35.022 28.835
314 HB2 GLU 43 HB1 GLU 43 48.409 33.718 27.640
315 HB3 GLU 43 HB2 GLU 43 47.334 33.570 26.257
316 HG2 GLU 43 HG1 GLU 43 48.979 35.316 25.877
317 HG3 GLU 43 HG2 GLU 43 47.386 36.018 25.946
318 H THR 44 HN THR 44 44.249 33.102 27.297
319 HA THR 44 HA THR 44 42.650 35.494 26.420
320 HB THR 44 HB THR 44 42.251 32.516 25.769
321 HG1 THR 44 HG1 THR 44 43.661 32.830 24.347
322 HG21 THR 44 1HG2 THR 44 40.938 35.074 24.687
323 HG22 THR 44 2HG2 THR 44 40.804 33.476 23.920
324 HG23 THR 44 3HG2 THR 44 40.111 33.754 25.514
325 H LEU 45 HN LEU 45 43.128 33.566 29.136
326 HA LEU 45 HA LEU 45 40.256 33.878 29.899
327 HB2 LEU 45 HB1 LEU 45 42.460 32.333 31.253
328 HB3 LEU 45 HB2 LEU 45 40.936 32.624 32.000
329 HG LEU 45 HG LEU 45 41.234 31.218 29.366
330 HD11 LEU 45 1HD1 LEU 45 40.933 30.142 32.192
331 HD12 LEU 45 2HD1 LEU 45 40.733 29.151 30.742
332 HD13 LEU 45 3HD1 LEU 45 42.297 29.908 31.081
333 HD21 LEU 45 3HD2 LEU 45 38.832 31.032 31.173
334 HD22 LEU 45 1HD2 LEU 45 38.912 32.220 29.825
335 HD23 LEU 45 2HD2 LEU 45 38.991 30.493 29.518
336 H LYS 46 HN LYS 46 43.384 35.505 30.503
337 HA LYS 46 HA LYS 46 42.468 36.140 33.122
338 HB2 LYS 46 HB1 LYS 46 44.316 37.996 31.560
339 HB3 LYS 46 HB2 LYS 46 44.222 37.801 33.300
340 HG2 LYS 46 HG1 LYS 46 45.366 35.810 31.306
341 HG3 LYS 46 HG2 LYS 46 46.237 36.896 32.344
342 HD2 LYS 46 HD1 LYS 46 46.430 34.762 33.254
343 HD3 LYS 46 HD2 LYS 46 45.472 35.746 34.353
344 HE2 LYS 46 HE1 LYS 46 43.421 34.519 33.570
345 HE3 LYS 46 HE2 LYS 46 44.429 33.548 32.489
346 HZ1 LYS 46 HZ1 LYS 46 45.664 32.848 34.540
347 HZ2 LYS 46 HZ2 LYS 46 44.596 33.684 35.447
348 HZ3 LYS 46 HZ3 LYS 46 44.061 32.402 34.607
349 H MET 47 HN MET 47 42.141 37.796 30.026
350 HA MET 47 HA MET 47 40.468 39.996 30.611
351 HB2 MET 47 HB1 MET 47 39.720 39.761 28.317
352 HB3 MET 47 HB2 MET 47 41.455 39.428 28.414
353 HG2 MET 47 HG1 MET 47 41.077 37.039 28.243
354 HG3 MET 47 HG2 MET 47 39.330 37.262 28.285
355 HE1 MET 47 HE1 MET 47 42.012 39.429 26.160
356 HE2 MET 47 HE2 MET 47 42.620 37.773 26.369
357 HE3 MET 47 HE3 MET 47 42.110 38.336 24.767
358 H TYR 48 HN TYR 48 39.720 36.631 31.005
359 HA TYR 48 HA TYR 48 36.786 37.097 31.179
360 HB2 TYR 48 HB1 TYR 48 37.508 35.410 29.582
361 HB3 TYR 48 HB2 TYR 48 38.521 34.607 30.737
362 HD1 TYR 48 HD1 TYR 48 34.876 35.693 30.590
363 HD2 TYR 48 HD2 TYR 48 37.783 32.710 31.630
364 HE1 TYR 48 HE1 TYR 48 33.051 34.178 31.327
365 HE2 TYR 48 HE2 TYR 48 35.967 31.136 32.254
366 HH TYR 48 HH TYR 48 32.521 32.134 32.252
367 H MET 49 HN MET 49 39.101 34.961 32.845
368 HA MET 49 HA MET 49 37.519 34.557 35.186
369 HB2 MET 49 HB1 MET 49 40.450 33.943 34.512
370 HB3 MET 49 HB2 MET 49 39.608 33.381 35.970
371 HG2 MET 49 HG1 MET 49 37.852 32.476 34.206
372 HG3 MET 49 HG2 MET 49 39.238 32.597 33.098
373 HE1 MET 49 HE1 MET 49 38.211 29.890 32.963
374 HE2 MET 49 HE2 MET 49 38.387 28.796 34.344
375 HE3 MET 49 HE3 MET 49 37.262 30.160 34.440
376 H ALA 50 HN ALA 50 39.646 37.213 34.521
377 HA ALA 50 HA ALA 50 39.218 38.357 37.172
378 HB1 ALA 50 HB1 ALA 50 42.018 37.525 36.315
379 HB2 ALA 50 HB2 ALA 50 41.615 38.481 37.759
380 HB3 ALA 50 HB3 ALA 50 41.096 36.792 37.640
381 H THR 51 HN THR 51 38.158 39.518 35.306
382 HA THR 51 HA THR 51 38.839 40.370 33.024
383 HB THR 51 HB THR 51 37.641 42.461 34.849
384 HG1 THR 51 HG1 THR 51 36.221 40.390 33.548
385 HG21 THR 51 1HG2 THR 51 37.264 41.722 31.907
386 HG22 THR 51 2HG2 THR 51 36.225 42.848 32.804
387 HG23 THR 51 3HG2 THR 51 37.940 43.224 32.549
388 H TYR 52 HN TYR 52 40.986 40.552 32.634
389 HA TYR 52 HA TYR 52 42.745 42.507 33.567
390 HB2 TYR 52 HB1 TYR 52 43.143 40.386 32.199
391 HB3 TYR 52 HB2 TYR 52 42.736 41.315 30.766
392 HD1 TYR 52 HD2 TYR 52 45.070 41.018 33.648
393 HD2 TYR 52 HD1 TYR 52 44.415 42.766 29.760
394 HE1 TYR 52 HE2 TYR 52 47.477 41.629 33.522
395 HE2 TYR 52 HE1 TYR 52 46.832 43.344 29.612
396 HH TYR 52 HH TYR 52 48.912 43.169 30.629
397 H HIS 53 HN HIS 53 42.870 44.683 33.337
398 HA HIS 53 HA HIS 53 41.768 46.176 31.049
399 HB2 HIS 53 HB1 HIS 53 39.847 45.316 32.591
400 HB3 HIS 53 HB2 HIS 53 40.486 46.417 33.800
401 HD1 HIS 53 HD1 HIS 53 38.121 46.250 30.933
402 HD2 HIS 53 HD2 HIS 53 40.397 49.150 33.034
403 HE1 HIS 53 HE1 HIS 53 37.033 48.523 30.498
Start of MODEL 3
1 H SER 1 H SER 1 25.596 38.791 32.489
2 HA SER 1 HA SER 1 26.447 38.819 30.270
3 HB2 SER 1 HB1 SER 1 28.545 38.631 32.451
4 HB3 SER 1 HB2 SER 1 28.875 39.183 30.811
5 HG SER 1 HG SER 1 28.409 40.822 32.373
6 H MET 2 HN MET 2 27.169 37.670 28.550
7 HA MET 2 HA MET 2 28.677 35.114 28.974
8 HB2 MET 2 HB1 MET 2 27.583 36.381 26.431
9 HB3 MET 2 HB2 MET 2 28.513 34.880 26.510
10 HG2 MET 2 HG1 MET 2 26.763 33.937 28.056
11 HG3 MET 2 HG2 MET 2 25.787 35.383 27.755
12 HE1 MET 2 HE1 MET 2 23.795 33.940 27.021
13 HE2 MET 2 HE2 MET 2 23.896 32.600 25.857
14 HE3 MET 2 HE3 MET 2 24.770 32.503 27.401
15 H VAL 3 HN VAL 3 30.801 34.800 28.147
16 HA VAL 3 HA VAL 3 32.262 37.179 27.097
17 HB VAL 3 HB VAL 3 33.680 35.638 29.210
18 HG11 VAL 3 1HG1 VAL 3 34.624 37.882 29.720
19 HG12 VAL 3 2HG1 VAL 3 34.773 37.497 28.002
20 HG13 VAL 3 3HG1 VAL 3 33.504 38.612 28.554
21 HG21 VAL 3 3HG2 VAL 3 31.590 37.661 30.083
22 HG22 VAL 3 1HG2 VAL 3 31.619 35.928 30.474
23 HG23 VAL 3 2HG2 VAL 3 32.877 36.992 31.099
24 H ASN 4 HN ASN 4 34.331 36.699 26.143
25 HA ASN 4 HA ASN 4 34.583 34.076 24.880
26 HB2 ASN 4 HB1 ASN 4 36.467 36.472 24.973
27 HB3 ASN 4 HB2 ASN 4 36.742 35.025 24.015
28 HD21 ASN 4 2HD2 ASN 4 35.417 38.143 23.913
29 HD22 ASN 4 1HD2 ASN 4 34.427 37.942 22.482
30 H THR 5 HN THR 5 36.141 32.479 25.280
31 HA THR 5 HA THR 5 37.855 32.643 27.758
32 HB THR 5 HB THR 5 37.247 30.422 28.348
33 HG1 THR 5 HG1 THR 5 35.590 30.536 26.066
34 HG21 THR 5 1HG2 THR 5 36.028 32.323 29.245
35 HG22 THR 5 2HG2 THR 5 34.727 32.078 28.056
36 HG23 THR 5 3HG2 THR 5 35.090 30.822 29.265
37 H GLY 6 HN GLY 6 39.825 31.848 27.428
38 HA2 GLY 6 HA1 GLY 6 40.544 30.174 25.173
39 HA3 GLY 6 HA2 GLY 6 41.557 30.521 26.553
40 H LEU 7 HN LEU 7 38.279 29.202 27.126
41 HA LEU 7 HA LEU 7 39.553 27.011 28.524
42 HB2 LEU 7 HB1 LEU 7 36.742 27.998 28.261
43 HB3 LEU 7 HB2 LEU 7 36.967 26.342 28.778
44 HG LEU 7 HG LEU 7 38.382 28.665 30.146
45 HD11 LEU 7 1HD1 LEU 7 36.633 28.536 31.874
46 HD12 LEU 7 2HD1 LEU 7 35.930 28.963 30.307
47 HD13 LEU 7 3HD1 LEU 7 35.764 27.308 30.923
48 HD21 LEU 7 3HD2 LEU 7 37.822 25.799 31.059
49 HD22 LEU 7 1HD2 LEU 7 39.409 26.446 30.602
50 HD23 LEU 7 2HD2 LEU 7 38.590 27.063 32.037
51 HA PRO 8 HA PRO 8 39.550 24.157 25.185
52 HB2 PRO 8 HB1 PRO 8 39.625 21.715 26.297
53 HB3 PRO 8 HB2 PRO 8 40.770 22.957 26.824
54 HG2 PRO 8 HG1 PRO 8 38.074 22.335 28.114
55 HG3 PRO 8 HG2 PRO 8 39.695 22.222 28.863
56 HD2 PRO 8 HD1 PRO 8 38.220 24.500 29.054
57 HD3 PRO 8 HD2 PRO 8 39.989 24.547 28.838
58 H ALA 9 HN ALA 9 38.174 21.542 24.981
59 HA ALA 9 HA ALA 9 35.789 22.218 23.685
60 HB1 ALA 9 HB1 ALA 9 36.583 19.571 24.969
61 HB2 ALA 9 HB2 ALA 9 35.401 19.788 23.668
62 HB3 ALA 9 HB3 ALA 9 37.110 20.148 23.367
63 H GLY 10 HN GLY 10 36.231 21.792 27.077
64 HA2 GLY 10 HA1 GLY 10 33.305 21.701 27.678
65 HA3 GLY 10 HA2 GLY 10 34.605 21.263 28.814
66 H TRP 11 HN TRP 11 33.210 23.912 26.987
67 HA TRP 11 HA TRP 11 34.152 25.904 29.031
68 HB2 TRP 11 HB1 TRP 11 34.617 27.421 27.298
69 HB3 TRP 11 HB2 TRP 11 35.328 25.912 26.771
70 HD1 TRP 11 HD1 TRP 11 33.628 24.491 24.947
71 HE1 TRP 11 HE1 TRP 11 32.171 25.403 23.058
72 HE3 TRP 11 HE3 TRP 11 33.282 29.369 26.478
73 HZ2 TRP 11 HZ2 TRP 11 31.149 27.974 22.201
74 HZ3 TRP 11 HZ3 TRP 11 32.064 31.034 25.098
75 HH2 TRP 11 HH2 TRP 11 31.027 30.356 22.942
76 H GLU 12 HN GLU 12 31.303 24.566 27.727
77 HA GLU 12 HA GLU 12 29.765 27.014 27.383
78 HB2 GLU 12 HB1 GLU 12 29.340 24.916 26.109
79 HB3 GLU 12 HB2 GLU 12 28.925 24.100 27.608
80 HG2 GLU 12 HG1 GLU 12 26.877 24.610 26.615
81 HG3 GLU 12 HG2 GLU 12 27.032 25.783 27.913
82 H VAL 13 HN VAL 13 29.536 28.261 29.253
83 HA VAL 13 HA VAL 13 29.550 27.139 31.848
84 HB VAL 13 HB VAL 13 30.209 29.453 31.240
85 HG11 VAL 13 1HG1 VAL 13 28.652 31.276 31.164
86 HG12 VAL 13 2HG1 VAL 13 28.165 30.110 29.923
87 HG13 VAL 13 3HG1 VAL 13 27.270 30.211 31.453
88 HG21 VAL 13 3HG2 VAL 13 28.290 29.239 33.579
89 HG22 VAL 13 1HG2 VAL 13 29.999 28.735 33.562
90 HG23 VAL 13 2HG2 VAL 13 29.575 30.445 33.372
91 H ARG 14 HN ARG 14 28.064 26.441 33.216
92 HA ARG 14 HA ARG 14 25.179 26.897 32.699
93 HB2 ARG 14 HB1 ARG 14 26.595 24.331 33.539
94 HB3 ARG 14 HB2 ARG 14 24.853 24.518 33.607
95 HG2 ARG 14 HG1 ARG 14 26.486 24.646 31.032
96 HG3 ARG 14 HG2 ARG 14 25.705 23.209 31.669
97 HD2 ARG 14 HD1 ARG 14 24.300 24.080 29.956
98 HD3 ARG 14 HD2 ARG 14 23.486 24.331 31.510
99 HE ARG 14 HE ARG 14 25.081 26.613 30.734
100 HH11 ARG 14 1HH1 ARG 14 21.996 25.228 29.757
101 HH12 ARG 14 2HH1 ARG 14 21.214 26.795 29.756
102 HH21 ARG 14 1HH2 ARG 14 24.031 28.530 30.802
103 HH22 ARG 14 2HH2 ARG 14 22.353 28.658 30.331
104 H HIS 15 HN HIS 15 24.116 27.694 34.283
105 HA HIS 15 HA HIS 15 25.512 28.372 36.772
106 HB2 HIS 15 HB1 HIS 15 23.617 29.917 37.059
107 HB3 HIS 15 HB2 HIS 15 24.401 30.104 35.499
108 HD1 HIS 15 HD1 HIS 15 22.918 29.605 33.314
109 HD2 HIS 15 HD2 HIS 15 21.101 28.850 37.077
110 HE1 HIS 15 HE1 HIS 15 20.421 29.263 32.898
111 H SER 16 HN SER 16 23.281 25.914 35.909
112 HA SER 16 HA SER 16 21.457 25.726 37.947
113 HB2 SER 16 HB1 SER 16 22.941 23.366 36.738
114 HB3 SER 16 HB2 SER 16 21.381 23.314 37.577
115 HG SER 16 HG SER 16 21.065 23.369 35.345
116 H ASN 17 HN ASN 17 21.760 26.029 40.030
117 HA ASN 17 HA ASN 17 22.257 24.483 41.983
118 HB2 ASN 17 HB1 ASN 17 24.412 24.699 42.979
119 HB3 ASN 17 HB2 ASN 17 24.569 23.902 41.446
120 HD21 ASN 17 2HD2 ASN 17 25.410 25.358 39.587
121 HD22 ASN 17 1HD2 ASN 17 26.639 26.542 40.088
122 H SER 18 HN SER 18 21.824 25.443 43.837
123 HA SER 18 HA SER 18 21.212 28.293 44.086
124 HB2 SER 18 HB1 SER 18 21.551 26.143 46.214
125 HB3 SER 18 HB2 SER 18 20.765 27.711 46.439
126 HG SER 18 HG SER 18 19.476 25.677 46.004
127 H LYS 19 HN LYS 19 24.140 26.484 44.388
128 HA LYS 19 HA LYS 19 25.371 28.213 46.386
129 HB2 LYS 19 HB1 LYS 19 25.677 25.616 45.797
130 HB3 LYS 19 HB2 LYS 19 26.972 26.238 44.778
131 HG2 LYS 19 HG1 LYS 19 27.986 27.355 46.750
132 HG3 LYS 19 HG2 LYS 19 26.629 26.844 47.757
133 HD2 LYS 19 HD1 LYS 19 28.661 25.007 46.421
134 HD3 LYS 19 HD2 LYS 19 28.612 25.474 48.126
135 HE2 LYS 19 HE1 LYS 19 26.216 24.483 48.150
136 HE3 LYS 19 HE2 LYS 19 26.629 23.752 46.592
137 HZ1 LYS 19 HZ1 LYS 19 27.101 22.210 48.363
138 HZ2 LYS 19 HZ2 LYS 19 28.504 22.662 47.687
139 HZ3 LYS 19 HZ3 LYS 19 28.098 23.291 49.134
140 H ASN 20 HN ASN 20 28.000 28.429 45.311
141 HA ASN 20 HA ASN 20 27.321 31.107 44.387
142 HB2 ASN 20 HB1 ASN 20 29.994 30.028 45.319
143 HB3 ASN 20 HB2 ASN 20 29.463 31.712 45.261
144 HD21 ASN 20 2HD2 ASN 20 27.285 32.122 46.640
145 HD22 ASN 20 1HD2 ASN 20 27.305 31.295 48.197
146 H LEU 21 HN LEU 21 29.175 28.422 42.948
147 HA LEU 21 HA LEU 21 30.004 30.219 40.703
148 HB2 LEU 21 HB1 LEU 21 31.341 27.873 42.073
149 HB3 LEU 21 HB2 LEU 21 31.685 28.165 40.393
150 HG LEU 21 HG LEU 21 33.392 29.076 41.853
151 HD11 LEU 21 1HD1 LEU 21 31.921 31.258 40.328
152 HD12 LEU 21 2HD1 LEU 21 33.608 31.314 40.866
153 HD13 LEU 21 3HD1 LEU 21 33.113 30.112 39.668
154 HD21 LEU 21 3HD2 LEU 21 31.407 31.145 42.841
155 HD22 LEU 21 1HD2 LEU 21 31.932 29.717 43.772
156 HD23 LEU 21 2HD2 LEU 21 33.106 30.956 43.292
157 HA PRO 22 HA PRO 22 27.809 27.424 37.934
158 HB2 PRO 22 HB1 PRO 22 28.902 28.051 35.549
159 HB3 PRO 22 HB2 PRO 22 28.012 29.284 36.482
160 HG2 PRO 22 HG1 PRO 22 31.015 28.842 36.371
161 HG3 PRO 22 HG2 PRO 22 30.114 30.378 36.155
162 HD2 PRO 22 HD1 PRO 22 31.216 29.560 38.562
163 HD3 PRO 22 HD2 PRO 22 29.777 30.605 38.451
164 H TYR 23 HN TYR 23 28.564 25.885 36.007
165 HA TYR 23 HA TYR 23 31.318 24.835 36.295
166 HB2 TYR 23 HB1 TYR 23 30.606 22.537 36.016
167 HB3 TYR 23 HB2 TYR 23 29.911 23.199 37.483
168 HD1 TYR 23 HD2 TYR 23 27.468 23.833 37.542
169 HD2 TYR 23 HD1 TYR 23 29.197 21.759 34.186
170 HE1 TYR 23 HE2 TYR 23 25.202 23.128 36.815
171 HE2 TYR 23 HE1 TYR 23 26.929 21.034 33.460
172 HH TYR 23 HH TYR 23 24.690 21.065 33.925
173 H TYR 24 HN TYR 24 32.198 24.109 34.273
174 HA TYR 24 HA TYR 24 30.718 25.095 31.873
175 HB2 TYR 24 HB1 TYR 24 33.563 24.075 32.074
176 HB3 TYR 24 HB2 TYR 24 32.823 24.935 30.736
177 HD1 TYR 24 HD2 TYR 24 31.982 27.379 31.207
178 HD2 TYR 24 HD1 TYR 24 34.745 25.255 33.741
179 HE1 TYR 24 HE2 TYR 24 32.754 29.534 32.169
180 HE2 TYR 24 HE1 TYR 24 35.513 27.407 34.720
181 HH TYR 24 HH TYR 24 35.293 29.670 34.728
182 H PHE 25 HN PHE 25 29.796 23.681 30.426
183 HA PHE 25 HA PHE 25 30.151 20.751 30.853
184 HB2 PHE 25 HB1 PHE 25 27.882 21.854 30.922
185 HB3 PHE 25 HB2 PHE 25 28.085 22.283 29.233
186 HD1 PHE 25 HD1 PHE 25 28.317 19.251 31.477
187 HD2 PHE 25 HD2 PHE 25 27.080 20.810 27.639
188 HE1 PHE 25 HE1 PHE 25 27.343 17.051 30.893
189 HE2 PHE 25 HE2 PHE 25 26.073 18.615 27.089
190 HZ PHE 25 HZ PHE 25 26.229 16.726 28.687
191 H ASN 26 HN ASN 26 30.739 19.333 29.212
192 HA ASN 26 HA ASN 26 31.549 20.480 26.562
193 HB2 ASN 26 HB1 ASN 26 33.344 19.209 27.598
194 HB3 ASN 26 HB2 ASN 26 32.281 17.819 27.808
195 HD21 ASN 26 2HD2 ASN 26 34.139 16.790 26.484
196 HD22 ASN 26 1HD2 ASN 26 34.001 16.890 24.738
197 HA PRO 27 HA PRO 27 27.521 18.621 25.490
198 HB2 PRO 27 HB1 PRO 27 28.150 19.830 22.821
199 HB3 PRO 27 HB2 PRO 27 26.652 19.929 23.804
200 HG2 PRO 27 HG1 PRO 27 28.361 22.041 23.647
201 HG3 PRO 27 HG2 PRO 27 27.555 21.610 25.191
202 HD2 PRO 27 HD1 PRO 27 30.367 20.926 24.289
203 HD3 PRO 27 HD2 PRO 27 29.797 21.558 25.864
204 H ALA 28 HN ALA 28 30.590 18.220 23.697
205 HA ALA 28 HA ALA 28 29.567 16.221 21.880
206 HB1 ALA 28 HB1 ALA 28 32.403 17.088 22.615
207 HB2 ALA 28 HB2 ALA 28 31.954 16.083 21.222
208 HB3 ALA 28 HB3 ALA 28 31.393 17.761 21.318
209 H THR 29 HN THR 29 31.128 16.027 25.029
210 HA THR 29 HA THR 29 30.548 13.136 25.238
211 HB THR 29 HB THR 29 33.344 14.243 25.731
212 HG1 THR 29 HG1 THR 29 32.357 12.262 23.925
213 HG21 THR 29 1HG2 THR 29 33.974 11.925 26.217
214 HG22 THR 29 2HG2 THR 29 32.761 12.486 27.373
215 HG23 THR 29 3HG2 THR 29 32.286 11.401 26.053
216 H ARG 30 HN ARG 30 29.190 13.296 26.836
217 HA ARG 30 HA ARG 30 28.625 15.312 28.539
218 HB2 ARG 30 HB1 ARG 30 27.230 13.351 27.987
219 HB3 ARG 30 HB2 ARG 30 28.240 12.334 29.018
220 HG2 ARG 30 HG1 ARG 30 27.511 13.756 30.981
221 HG3 ARG 30 HG2 ARG 30 26.439 14.638 29.888
222 HD2 ARG 30 HD1 ARG 30 25.217 12.592 29.340
223 HD3 ARG 30 HD2 ARG 30 26.361 11.610 30.275
224 HE ARG 30 HE ARG 30 25.272 13.581 31.993
225 HH11 ARG 30 1HH1 ARG 30 24.033 10.754 30.247
226 HH12 ARG 30 2HH1 ARG 30 22.850 10.397 31.476
227 HH21 ARG 30 1HH2 ARG 30 23.802 13.028 33.562
228 HH22 ARG 30 2HH2 ARG 30 22.584 11.819 33.222
229 H GLU 31 HN GLU 31 30.027 16.321 29.737
230 HA GLU 31 HA GLU 31 31.201 15.248 32.162
231 HB2 GLU 31 HB1 GLU 31 32.731 14.400 30.323
232 HB3 GLU 31 HB2 GLU 31 32.992 16.074 29.841
233 HG2 GLU 31 HG1 GLU 31 34.853 15.115 31.188
234 HG3 GLU 31 HG2 GLU 31 34.154 16.557 31.892
235 H SER 32 HN SER 32 32.358 16.966 33.358
236 HA SER 32 HA SER 32 31.845 19.705 32.344
237 HB2 SER 32 HB1 SER 32 31.147 20.464 34.554
238 HB3 SER 32 HB2 SER 32 30.065 19.212 33.928
239 HG SER 32 HG SER 32 30.443 18.608 35.974
240 H ARG 33 HN ARG 33 33.064 21.381 33.402
241 HA ARG 33 HA ARG 33 35.682 20.582 34.536
242 HB2 ARG 33 HB1 ARG 33 35.616 21.059 31.946
243 HB3 ARG 33 HB2 ARG 33 35.389 22.730 32.410
244 HG2 ARG 33 HG1 ARG 33 37.714 22.366 31.950
245 HG3 ARG 33 HG2 ARG 33 37.533 22.666 33.681
246 HD2 ARG 33 HD1 ARG 33 39.186 20.860 32.936
247 HD3 ARG 33 HD2 ARG 33 38.089 20.503 34.271
248 HE ARG 33 HE ARG 33 37.251 18.736 33.118
249 HH11 ARG 33 1HH1 ARG 33 38.685 20.787 30.626
250 HH12 ARG 33 2HH1 ARG 33 38.430 19.579 29.389
251 HH21 ARG 33 1HH2 ARG 33 36.876 17.347 31.575
252 HH22 ARG 33 2HH2 ARG 33 37.185 17.715 29.880
253 H TRP 34 HN TRP 34 36.579 22.112 35.825
254 HA TRP 34 HA TRP 34 34.719 24.074 37.107
255 HB2 TRP 34 HB1 TRP 34 36.090 22.546 39.073
256 HB3 TRP 34 HB2 TRP 34 34.400 22.490 38.643
257 HD1 TRP 34 HD1 TRP 34 33.519 20.227 37.944
258 HE1 TRP 34 HE1 TRP 34 34.436 18.052 36.944
259 HE3 TRP 34 HE3 TRP 34 38.431 21.590 37.385
260 HZ2 TRP 34 HZ2 TRP 34 36.963 17.061 35.968
261 HZ3 TRP 34 HZ3 TRP 34 40.066 20.009 36.420
262 HH2 TRP 34 HH2 TRP 34 39.343 17.743 35.694
263 H GLU 35 HN GLU 35 37.932 23.472 36.118
264 HA GLU 35 HA GLU 35 39.081 25.826 37.415
265 HB2 GLU 35 HB1 GLU 35 40.327 23.038 37.686
266 HB3 GLU 35 HB2 GLU 35 41.032 24.556 38.229
267 HG2 GLU 35 HG1 GLU 35 39.012 24.819 39.768
268 HG3 GLU 35 HG2 GLU 35 38.602 23.140 39.379
269 HA PRO 36 HA PRO 36 40.959 25.872 33.392
270 HB2 PRO 36 HB1 PRO 36 43.469 26.981 33.828
271 HB3 PRO 36 HB2 PRO 36 41.933 27.881 33.730
272 HG2 PRO 36 HG1 PRO 36 43.408 26.946 36.192
273 HG3 PRO 36 HG2 PRO 36 42.602 28.519 35.910
274 HD2 PRO 36 HD1 PRO 36 41.449 26.540 37.357
275 HD3 PRO 36 HD2 PRO 36 40.477 27.598 36.297
276 HA PRO 37 HA PRO 37 43.469 22.057 33.601
277 HB2 PRO 37 HB1 PRO 37 43.010 21.126 31.074
278 HB3 PRO 37 HB2 PRO 37 41.785 21.058 32.375
279 HG2 PRO 37 HG1 PRO 37 41.946 23.000 30.105
280 HG3 PRO 37 HG2 PRO 37 40.518 22.219 30.851
281 HD2 PRO 37 HD1 PRO 37 41.372 24.798 31.452
282 HD3 PRO 37 HD2 PRO 37 40.363 23.772 32.502
283 H ALA 38 HN ALA 38 45.377 21.192 32.333
284 HA ALA 38 HA ALA 38 47.292 23.256 31.966
285 HB1 ALA 38 HB1 ALA 38 47.490 20.333 31.114
286 HB2 ALA 38 HB2 ALA 38 48.826 21.429 31.488
287 HB3 ALA 38 HB3 ALA 38 47.721 20.915 32.773
288 H ASP 39 HN ASP 39 45.331 21.567 29.599
289 HA ASP 39 HA ASP 39 46.739 22.264 27.214
290 HB2 ASP 39 HB1 ASP 39 45.012 20.433 27.650
291 HB3 ASP 39 HB2 ASP 39 43.771 21.677 27.595
292 H THR 40 HN THR 40 44.595 24.118 29.175
293 HA THR 40 HA THR 40 43.159 25.573 27.221
294 HB THR 40 HB THR 40 42.751 24.931 29.703
295 HG1 THR 40 HG1 THR 40 41.767 26.920 28.141
296 HG21 THR 40 1HG2 THR 40 43.628 27.820 30.105
297 HG22 THR 40 2HG2 THR 40 42.991 26.698 31.323
298 HG23 THR 40 3HG2 THR 40 44.607 26.449 30.620
299 H ASP 41 HN ASP 41 42.962 28.096 27.262
300 HA ASP 41 HA ASP 41 45.640 28.958 26.289
301 HB2 ASP 41 HB1 ASP 41 42.812 29.318 25.286
302 HB3 ASP 41 HB2 ASP 41 44.110 30.368 24.740
303 H MET 42 HN MET 42 45.312 29.369 28.801
304 HA MET 42 HA MET 42 44.690 31.556 30.163
305 HB2 MET 42 HB1 MET 42 47.454 30.409 29.763
306 HB3 MET 42 HB2 MET 42 47.020 31.534 31.056
307 HG2 MET 42 HG1 MET 42 45.183 29.991 31.783
308 HG3 MET 42 HG2 MET 42 45.667 28.842 30.558
309 HE1 MET 42 HE1 MET 42 48.946 27.314 31.694
310 HE2 MET 42 HE2 MET 42 47.564 27.266 30.576
311 HE3 MET 42 HE3 MET 42 48.719 28.611 30.509
312 H GLU 43 HN GLU 43 47.036 31.930 27.401
313 HA GLU 43 HA GLU 43 47.586 34.640 27.634
314 HB2 GLU 43 HB1 GLU 43 48.502 33.135 25.910
315 HB3 GLU 43 HB2 GLU 43 46.927 33.060 25.117
316 HG2 GLU 43 HG1 GLU 43 47.086 35.554 24.692
317 HG3 GLU 43 HG2 GLU 43 48.704 35.523 25.396
318 H THR 44 HN THR 44 44.704 33.252 26.068
319 HA THR 44 HA THR 44 43.291 35.767 25.523
320 HB THR 44 HB THR 44 42.342 32.864 25.478
321 HG1 THR 44 HG1 THR 44 42.902 33.035 23.221
322 HG21 THR 44 1HG2 THR 44 41.350 35.362 24.044
323 HG22 THR 44 2HG2 THR 44 40.847 33.707 23.626
324 HG23 THR 44 3HG2 THR 44 40.457 34.373 25.214
325 H LEU 45 HN LEU 45 43.676 33.714 28.205
326 HA LEU 45 HA LEU 45 40.822 33.950 29.009
327 HB2 LEU 45 HB1 LEU 45 41.716 31.863 28.077
328 HB3 LEU 45 HB2 LEU 45 42.947 31.835 29.282
329 HG LEU 45 HG LEU 45 41.181 31.568 31.014
330 HD11 LEU 45 1HD1 LEU 45 39.246 32.193 29.431
331 HD12 LEU 45 2HD1 LEU 45 39.354 30.484 28.931
332 HD13 LEU 45 3HD1 LEU 45 39.038 30.863 30.592
333 HD21 LEU 45 3HD2 LEU 45 41.743 29.391 29.007
334 HD22 LEU 45 1HD2 LEU 45 42.611 29.787 30.498
335 HD23 LEU 45 2HD2 LEU 45 40.979 29.109 30.590
336 H LYS 46 HN LYS 46 44.109 34.523 30.243
337 HA LYS 46 HA LYS 46 43.351 35.181 32.968
338 HB2 LYS 46 HB1 LYS 46 45.586 35.862 31.057
339 HB3 LYS 46 HB2 LYS 46 45.217 37.064 32.270
340 HG2 LYS 46 HG1 LYS 46 46.944 35.795 33.139
341 HG3 LYS 46 HG2 LYS 46 45.517 35.406 34.083
342 HD2 LYS 46 HD1 LYS 46 46.459 33.664 31.779
343 HD3 LYS 46 HD2 LYS 46 47.208 33.538 33.360
344 HE2 LYS 46 HE1 LYS 46 44.228 33.084 32.869
345 HE3 LYS 46 HE2 LYS 46 45.451 31.813 32.957
346 HZ1 LYS 46 HZ1 LYS 46 44.702 33.615 35.182
347 HZ2 LYS 46 HZ2 LYS 46 44.447 32.005 35.075
348 HZ3 LYS 46 HZ3 LYS 46 45.961 32.555 35.245
349 H MET 47 HN MET 47 42.975 36.887 29.833
350 HA MET 47 HA MET 47 41.945 39.345 30.874
351 HB2 MET 47 HB1 MET 47 41.086 37.988 28.289
352 HB3 MET 47 HB2 MET 47 41.009 39.700 28.688
353 HG2 MET 47 HG1 MET 47 43.494 38.049 28.111
354 HG3 MET 47 HG2 MET 47 42.809 39.364 27.180
355 HE1 MET 47 HE1 MET 47 44.598 40.997 26.860
356 HE2 MET 47 HE2 MET 47 45.927 41.258 27.998
357 HE3 MET 47 HE3 MET 47 45.640 39.635 27.332
358 H TYR 48 HN TYR 48 40.508 36.175 30.709
359 HA TYR 48 HA TYR 48 37.730 37.155 31.102
360 HB2 TYR 48 HB1 TYR 48 37.963 35.515 29.387
361 HB3 TYR 48 HB2 TYR 48 39.062 34.519 30.314
362 HD1 TYR 48 HD2 TYR 48 35.542 35.814 30.501
363 HD2 TYR 48 HD1 TYR 48 38.314 32.680 31.462
364 HE1 TYR 48 HE2 TYR 48 33.666 34.430 31.389
365 HE2 TYR 48 HE1 TYR 48 36.453 31.267 32.290
366 HH TYR 48 HH TYR 48 34.184 31.230 32.871
367 H MET 49 HN MET 49 40.138 35.008 32.608
368 HA MET 49 HA MET 49 38.546 34.389 34.940
369 HB2 MET 49 HB1 MET 49 41.445 33.822 34.149
370 HB3 MET 49 HB2 MET 49 40.688 33.240 35.647
371 HG2 MET 49 HG1 MET 49 38.875 32.221 34.161
372 HG3 MET 49 HG2 MET 49 39.940 32.571 32.787
373 HE1 MET 49 HE1 MET 49 39.410 29.770 32.416
374 HE2 MET 49 HE2 MET 49 39.764 28.647 33.737
375 HE3 MET 49 HE3 MET 49 38.547 29.912 33.961
376 H ALA 50 HN ALA 50 40.676 37.035 34.228
377 HA ALA 50 HA ALA 50 40.161 38.083 36.983
378 HB1 ALA 50 HB1 ALA 50 42.553 38.134 36.290
379 HB2 ALA 50 HB2 ALA 50 42.112 39.089 34.862
380 HB3 ALA 50 HB3 ALA 50 41.884 39.761 36.490
381 H THR 51 HN THR 51 39.443 40.399 36.959
382 HA THR 51 HA THR 51 37.775 41.104 34.575
383 HB THR 51 HB THR 51 36.600 40.104 36.655
384 HG1 THR 51 HG1 THR 51 35.541 40.921 34.977
385 HG21 THR 51 1HG2 THR 51 37.623 41.576 38.372
386 HG22 THR 51 2HG2 THR 51 36.842 42.986 37.612
387 HG23 THR 51 3HG2 THR 51 35.857 41.694 38.319
388 H TYR 52 HN TYR 52 40.318 42.073 36.462
389 HA TYR 52 HA TYR 52 40.335 44.887 35.973
390 HB2 TYR 52 HB1 TYR 52 41.939 43.591 37.374
391 HB3 TYR 52 HB2 TYR 52 42.591 42.847 35.919
392 HD1 TYR 52 HD2 TYR 52 42.201 46.032 37.793
393 HD2 TYR 52 HD1 TYR 52 44.168 44.053 34.507
394 HE1 TYR 52 HE2 TYR 52 43.705 47.987 37.528
395 HE2 TYR 52 HE1 TYR 52 45.697 45.989 34.262
396 HH TYR 52 HH TYR 52 46.313 48.049 35.055
397 H HIS 53 HN HIS 53 41.193 46.079 34.194
398 HA HIS 53 HA HIS 53 41.746 44.767 31.597
399 HB2 HIS 53 HB1 HIS 53 39.283 44.849 31.693
400 HB3 HIS 53 HB2 HIS 53 39.339 46.568 32.075
401 HD1 HIS 53 HD1 HIS 53 39.996 44.159 29.086
402 HD2 HIS 53 HD2 HIS 53 39.681 48.269 30.086
403 HE1 HIS 53 HE1 HIS 53 40.050 45.485 26.895
Start of MODEL 4
1 H SER 1 H SER 1 27.635 39.316 29.387
2 HA SER 1 HA SER 1 26.331 37.447 30.185
3 HB2 SER 1 HB1 SER 1 25.315 35.919 28.556
4 HB3 SER 1 HB2 SER 1 24.531 37.502 28.568
5 HG SER 1 HG SER 1 24.817 36.917 26.467
6 H MET 2 HN MET 2 27.410 36.116 27.111
7 HA MET 2 HA MET 2 29.618 34.747 28.491
8 HB2 MET 2 HB1 MET 2 28.727 34.701 25.579
9 HB3 MET 2 HB2 MET 2 30.009 33.699 26.262
10 HG2 MET 2 HG1 MET 2 27.077 33.664 27.084
11 HG3 MET 2 HG2 MET 2 27.882 32.475 26.081
12 HE1 MET 2 HE1 MET 2 30.006 30.365 28.436
13 HE2 MET 2 HE2 MET 2 29.245 30.528 26.840
14 HE3 MET 2 HE3 MET 2 30.528 31.653 27.337
15 H VAL 3 HN VAL 3 31.688 35.212 28.446
16 HA VAL 3 HA VAL 3 32.694 37.620 26.975
17 HB VAL 3 HB VAL 3 33.878 36.286 29.451
18 HG11 VAL 3 1HG1 VAL 3 34.418 38.975 28.115
19 HG12 VAL 3 2HG1 VAL 3 35.000 38.544 29.737
20 HG13 VAL 3 3HG1 VAL 3 35.560 37.634 28.348
21 HG21 VAL 3 3HG2 VAL 3 32.051 38.729 29.323
22 HG22 VAL 3 1HG2 VAL 3 31.671 37.173 30.099
23 HG23 VAL 3 2HG2 VAL 3 32.940 38.192 30.765
24 H ASN 4 HN ASN 4 34.910 37.433 26.149
25 HA ASN 4 HA ASN 4 35.663 35.039 24.825
26 HB2 ASN 4 HB1 ASN 4 37.537 37.188 25.886
27 HB3 ASN 4 HB2 ASN 4 37.840 36.071 24.557
28 HD21 ASN 4 2HD2 ASN 4 36.134 36.259 22.683
29 HD22 ASN 4 1HD2 ASN 4 35.755 37.919 22.241
30 H THR 5 HN THR 5 36.596 33.201 25.523
31 HA THR 5 HA THR 5 38.233 33.125 28.067
32 HB THR 5 HB THR 5 37.522 30.824 28.380
33 HG1 THR 5 HG1 THR 5 35.672 31.473 26.318
34 HG21 THR 5 1HG2 THR 5 35.310 32.904 28.485
35 HG22 THR 5 2HG2 THR 5 35.298 31.344 29.336
36 HG23 THR 5 3HG2 THR 5 36.572 32.525 29.682
37 H GLY 6 HN GLY 6 40.024 32.073 27.892
38 HA2 GLY 6 HA1 GLY 6 40.693 30.447 25.498
39 HA3 GLY 6 HA2 GLY 6 41.804 30.958 26.781
40 H LEU 7 HN LEU 7 38.603 29.270 26.734
41 HA LEU 7 HA LEU 7 39.676 27.379 28.745
42 HB2 LEU 7 HB1 LEU 7 36.952 28.332 28.067
43 HB3 LEU 7 HB2 LEU 7 37.097 26.697 28.684
44 HG LEU 7 HG LEU 7 38.355 29.096 30.106
45 HD11 LEU 7 1HD1 LEU 7 35.693 27.696 30.705
46 HD12 LEU 7 2HD1 LEU 7 36.404 29.055 31.604
47 HD13 LEU 7 3HD1 LEU 7 35.843 29.282 29.939
48 HD21 LEU 7 3HD2 LEU 7 37.708 26.279 31.111
49 HD22 LEU 7 1HD2 LEU 7 39.333 26.911 30.792
50 HD23 LEU 7 2HD2 LEU 7 38.360 27.610 32.082
51 HA PRO 8 HA PRO 8 39.970 24.211 25.625
52 HB2 PRO 8 HB1 PRO 8 39.401 21.848 26.774
53 HB3 PRO 8 HB2 PRO 8 40.692 22.882 27.414
54 HG2 PRO 8 HG1 PRO 8 37.789 22.837 28.324
55 HG3 PRO 8 HG2 PRO 8 39.234 22.474 29.320
56 HD2 PRO 8 HD1 PRO 8 38.210 24.957 29.277
57 HD3 PRO 8 HD2 PRO 8 39.974 24.727 29.199
58 H ALA 9 HN ALA 9 38.249 21.900 25.107
59 HA ALA 9 HA ALA 9 36.345 23.248 23.433
60 HB1 ALA 9 HB1 ALA 9 36.702 20.272 23.931
61 HB2 ALA 9 HB2 ALA 9 35.961 21.044 22.524
62 HB3 ALA 9 HB3 ALA 9 37.698 21.240 22.806
63 H GLY 10 HN GLY 10 35.820 23.131 26.484
64 HA2 GLY 10 HA1 GLY 10 32.886 22.877 26.276
65 HA3 GLY 10 HA2 GLY 10 33.682 21.944 27.554
66 H TRP 11 HN TRP 11 32.659 25.027 26.529
67 HA TRP 11 HA TRP 11 33.589 26.346 29.029
68 HB2 TRP 11 HB1 TRP 11 34.461 28.196 27.770
69 HB3 TRP 11 HB2 TRP 11 35.237 26.709 27.248
70 HD1 TRP 11 HD1 TRP 11 34.606 25.786 24.798
71 HE1 TRP 11 HE1 TRP 11 33.834 26.980 22.660
72 HE3 TRP 11 HE3 TRP 11 33.083 30.210 26.876
73 HZ2 TRP 11 HZ2 TRP 11 32.812 29.587 21.943
74 HZ3 TRP 11 HZ3 TRP 11 32.237 32.048 25.435
75 HH2 TRP 11 HH2 TRP 11 32.086 31.743 22.970
76 H GLU 12 HN GLU 12 30.952 25.721 27.060
77 HA GLU 12 HA GLU 12 29.288 27.996 27.774
78 HB2 GLU 12 HB1 GLU 12 28.971 25.451 26.430
79 HB3 GLU 12 HB2 GLU 12 27.780 25.516 27.717
80 HG2 GLU 12 HG1 GLU 12 28.187 27.884 25.817
81 HG3 GLU 12 HG2 GLU 12 27.256 26.485 25.325
82 H VAL 13 HN VAL 13 27.483 27.759 29.390
83 HA VAL 13 HA VAL 13 28.605 26.626 31.944
84 HB VAL 13 HB VAL 13 27.517 28.538 33.137
85 HG11 VAL 13 1HG1 VAL 13 29.809 29.224 31.253
86 HG12 VAL 13 2HG1 VAL 13 29.395 30.068 32.761
87 HG13 VAL 13 3HG1 VAL 13 29.940 28.385 32.817
88 HG21 VAL 13 3HG2 VAL 13 27.477 29.882 30.406
89 HG22 VAL 13 1HG2 VAL 13 26.033 29.362 31.310
90 HG23 VAL 13 2HG2 VAL 13 27.085 30.624 31.967
91 H ARG 14 HN ARG 14 27.318 25.900 33.484
92 HA ARG 14 HA ARG 14 24.391 25.581 33.031
93 HB2 ARG 14 HB1 ARG 14 26.526 23.493 33.541
94 HB3 ARG 14 HB2 ARG 14 24.832 23.161 33.908
95 HG2 ARG 14 HG1 ARG 14 25.819 23.919 31.121
96 HG3 ARG 14 HG2 ARG 14 25.736 22.262 31.722
97 HD2 ARG 14 HD1 ARG 14 23.322 22.432 32.085
98 HD3 ARG 14 HD2 ARG 14 23.357 24.141 31.625
99 HE ARG 14 HE ARG 14 23.235 23.555 29.457
100 HH11 ARG 14 1HH1 ARG 14 24.422 20.618 31.085
101 HH12 ARG 14 2HH1 ARG 14 24.532 19.757 29.577
102 HH21 ARG 14 1HH2 ARG 14 23.241 22.323 27.623
103 HH22 ARG 14 2HH2 ARG 14 23.770 20.674 27.664
104 H HIS 15 HN HIS 15 23.416 26.358 34.781
105 HA HIS 15 HA HIS 15 24.698 26.666 37.374
106 HB2 HIS 15 HB1 HIS 15 22.499 27.596 38.010
107 HB3 HIS 15 HB2 HIS 15 23.151 28.314 36.544
108 HD1 HIS 15 HD1 HIS 15 21.638 28.180 34.382
109 HD2 HIS 15 HD2 HIS 15 20.443 25.739 37.639
110 HE1 HIS 15 HE1 HIS 15 19.346 27.213 33.804
111 H SER 16 HN SER 16 23.669 25.955 39.396
112 HA SER 16 HA SER 16 22.035 23.528 39.463
113 HB2 SER 16 HB1 SER 16 24.203 22.493 39.025
114 HB3 SER 16 HB2 SER 16 24.955 23.463 40.300
115 HG SER 16 HG SER 16 24.595 21.495 41.167
116 H ASN 17 HN ASN 17 20.785 23.657 41.275
117 HA ASN 17 HA ASN 17 20.841 25.867 42.975
118 HB2 ASN 17 HB1 ASN 17 18.901 24.399 42.515
119 HB3 ASN 17 HB2 ASN 17 19.656 23.094 43.423
120 HD21 ASN 17 2HD2 ASN 17 19.066 22.936 45.558
121 HD22 ASN 17 1HD2 ASN 17 18.428 24.268 46.509
122 H SER 18 HN SER 18 22.671 22.915 43.355
123 HA SER 18 HA SER 18 23.213 23.085 46.199
124 HB2 SER 18 HB1 SER 18 24.613 21.667 43.896
125 HB3 SER 18 HB2 SER 18 24.941 21.389 45.615
126 HG SER 18 HG SER 18 23.305 20.147 45.696
127 H LYS 19 HN LYS 19 24.444 24.908 43.535
128 HA LYS 19 HA LYS 19 27.098 25.411 44.815
129 HB2 LYS 19 HB1 LYS 19 26.068 25.887 41.988
130 HB3 LYS 19 HB2 LYS 19 27.721 26.145 42.549
131 HG2 LYS 19 HG1 LYS 19 27.974 23.714 42.991
132 HG3 LYS 19 HG2 LYS 19 26.306 23.452 42.460
133 HD2 LYS 19 HD1 LYS 19 27.591 22.926 40.569
134 HD3 LYS 19 HD2 LYS 19 26.918 24.515 40.243
135 HE2 LYS 19 HE1 LYS 19 29.134 24.639 39.498
136 HE3 LYS 19 HE2 LYS 19 29.113 25.536 41.009
137 HZ1 LYS 19 HZ1 LYS 19 29.984 22.706 40.789
138 HZ2 LYS 19 HZ2 LYS 19 30.997 24.011 40.701
139 HZ3 LYS 19 HZ3 LYS 19 30.179 23.686 42.097
140 H ASN 20 HN ASN 20 28.028 27.586 44.480
141 HA ASN 20 HA ASN 20 26.030 29.772 44.821
142 HB2 ASN 20 HB1 ASN 20 27.663 31.042 45.795
143 HB3 ASN 20 HB2 ASN 20 28.065 29.433 46.370
144 HD21 ASN 20 2HD2 ASN 20 29.095 32.151 44.374
145 HD22 ASN 20 1HD2 ASN 20 30.698 31.529 44.052
146 H LEU 21 HN LEU 21 27.739 28.360 42.260
147 HA LEU 21 HA LEU 21 27.050 30.405 40.363
148 HB2 LEU 21 HB1 LEU 21 29.090 31.284 39.804
149 HB3 LEU 21 HB2 LEU 21 29.300 31.149 41.518
150 HG LEU 21 HG LEU 21 30.400 29.182 39.457
151 HD11 LEU 21 1HD1 LEU 21 31.792 31.356 41.067
152 HD12 LEU 21 2HD1 LEU 21 32.576 30.199 39.969
153 HD13 LEU 21 3HD1 LEU 21 31.447 31.402 39.324
154 HD21 LEU 21 3HD2 LEU 21 31.004 29.384 42.438
155 HD22 LEU 21 1HD2 LEU 21 30.054 28.085 41.684
156 HD23 LEU 21 2HD2 LEU 21 31.764 28.271 41.287
157 HA PRO 22 HA PRO 22 26.887 26.808 37.862
158 HB2 PRO 22 HB1 PRO 22 27.565 27.541 35.312
159 HB3 PRO 22 HB2 PRO 22 26.097 28.142 36.142
160 HG2 PRO 22 HG1 PRO 22 28.778 29.521 35.886
161 HG3 PRO 22 HG2 PRO 22 27.147 30.197 35.572
162 HD2 PRO 22 HD1 PRO 22 28.447 30.576 37.924
163 HD3 PRO 22 HD2 PRO 22 26.671 30.363 37.879
164 H TYR 23 HN TYR 23 27.967 25.172 36.581
165 HA TYR 23 HA TYR 23 30.963 25.195 36.663
166 HB2 TYR 23 HB1 TYR 23 30.827 22.785 36.165
167 HB3 TYR 23 HB2 TYR 23 30.182 23.226 37.729
168 HD1 TYR 23 HD1 TYR 23 29.194 22.206 34.256
169 HD2 TYR 23 HD2 TYR 23 27.958 22.706 38.345
170 HE1 TYR 23 HE1 TYR 23 27.070 21.038 33.740
171 HE2 TYR 23 HE2 TYR 23 25.831 21.520 37.856
172 HH TYR 23 HH TYR 23 24.991 20.412 34.573
173 H TYR 24 HN TYR 24 32.048 24.466 34.689
174 HA TYR 24 HA TYR 24 30.699 25.468 32.252
175 HB2 TYR 24 HB1 TYR 24 33.498 24.375 32.526
176 HB3 TYR 24 HB2 TYR 24 32.840 25.277 31.177
177 HD1 TYR 24 HD2 TYR 24 32.100 27.750 31.652
178 HD2 TYR 24 HD1 TYR 24 34.694 25.472 34.230
179 HE1 TYR 24 HE2 TYR 24 32.979 29.863 32.647
180 HE2 TYR 24 HE1 TYR 24 35.585 27.577 35.212
181 HH TYR 24 HH TYR 24 35.590 29.868 35.114
182 H PHE 25 HN PHE 25 30.221 24.122 30.473
183 HA PHE 25 HA PHE 25 30.149 21.179 31.074
184 HB2 PHE 25 HB1 PHE 25 27.988 22.438 31.154
185 HB3 PHE 25 HB2 PHE 25 28.179 22.859 29.487
186 HD1 PHE 25 HD1 PHE 25 28.091 19.865 31.760
187 HD2 PHE 25 HD2 PHE 25 27.345 21.380 27.786
188 HE1 PHE 25 HE1 PHE 25 27.083 17.700 31.121
189 HE2 PHE 25 HE2 PHE 25 26.292 19.207 27.173
190 HZ PHE 25 HZ PHE 25 26.172 17.368 28.832
191 H ASN 26 HN ASN 26 30.593 19.687 29.504
192 HA ASN 26 HA ASN 26 31.960 20.659 27.043
193 HB2 ASN 26 HB1 ASN 26 33.189 19.257 28.670
194 HB3 ASN 26 HB2 ASN 26 32.019 17.962 28.430
195 HD21 ASN 26 2HD2 ASN 26 32.238 16.639 26.620
196 HD22 ASN 26 1HD2 ASN 26 33.532 16.855 25.430
197 HA PRO 27 HA PRO 27 27.817 19.522 25.599
198 HB2 PRO 27 HB1 PRO 27 27.888 20.632 23.052
199 HB3 PRO 27 HB2 PRO 27 27.530 21.508 24.564
200 HG2 PRO 27 HG1 PRO 27 30.176 21.287 23.110
201 HG3 PRO 27 HG2 PRO 27 29.405 22.757 23.789
202 HD2 PRO 27 HD1 PRO 27 31.342 21.457 25.144
203 HD3 PRO 27 HD2 PRO 27 29.914 22.102 26.006
204 H ALA 28 HN ALA 28 30.723 18.691 23.620
205 HA ALA 28 HA ALA 28 29.184 16.893 21.967
206 HB1 ALA 28 HB1 ALA 28 32.186 17.137 22.365
207 HB2 ALA 28 HB2 ALA 28 31.355 16.335 21.013
208 HB3 ALA 28 HB3 ALA 28 31.194 18.086 21.227
209 H THR 29 HN THR 29 30.750 16.398 25.055
210 HA THR 29 HA THR 29 29.879 13.574 25.099
211 HB THR 29 HB THR 29 32.705 14.243 25.999
212 HG1 THR 29 HG1 THR 29 33.351 13.089 24.129
213 HG21 THR 29 1HG2 THR 29 31.369 11.594 25.280
214 HG22 THR 29 2HG2 THR 29 32.971 11.822 26.014
215 HG23 THR 29 3HG2 THR 29 31.529 12.218 26.936
216 H ARG 30 HN ARG 30 28.879 13.242 26.999
217 HA ARG 30 HA ARG 30 28.308 15.134 28.912
218 HB2 ARG 30 HB1 ARG 30 28.391 12.104 29.191
219 HB3 ARG 30 HB2 ARG 30 27.621 13.183 30.356
220 HG2 ARG 30 HG1 ARG 30 25.976 13.909 28.732
221 HG3 ARG 30 HG2 ARG 30 26.796 13.035 27.428
222 HD2 ARG 30 HD1 ARG 30 26.378 10.885 28.583
223 HD3 ARG 30 HD2 ARG 30 25.536 11.742 29.889
224 HE ARG 30 HE ARG 30 24.251 12.516 27.523
225 HH11 ARG 30 1HH1 ARG 30 24.760 9.351 29.073
226 HH12 ARG 30 2HH1 ARG 30 23.237 8.742 28.498
227 HH21 ARG 30 1HH2 ARG 30 22.405 11.661 26.774
228 HH22 ARG 30 2HH2 ARG 30 21.932 10.025 27.176
229 H GLU 31 HN GLU 31 29.924 16.290 29.819
230 HA GLU 31 HA GLU 31 31.240 15.285 32.196
231 HB2 GLU 31 HB1 GLU 31 32.833 14.476 30.531
232 HB3 GLU 31 HB2 GLU 31 32.916 16.066 29.791
233 HG2 GLU 31 HG1 GLU 31 34.892 15.612 31.059
234 HG3 GLU 31 HG2 GLU 31 34.054 16.956 31.800
235 H SER 32 HN SER 32 32.228 17.010 33.446
236 HA SER 32 HA SER 32 31.596 19.789 32.585
237 HB2 SER 32 HB1 SER 32 30.801 20.359 34.818
238 HB3 SER 32 HB2 SER 32 29.764 19.152 34.047
239 HG SER 32 HG SER 32 30.374 18.844 36.340
240 H ARG 33 HN ARG 33 32.813 21.418 33.524
241 HA ARG 33 HA ARG 33 35.459 20.669 34.677
242 HB2 ARG 33 HB1 ARG 33 35.285 21.240 32.120
243 HB3 ARG 33 HB2 ARG 33 35.017 22.880 32.642
244 HG2 ARG 33 HG1 ARG 33 37.286 22.894 32.225
245 HG3 ARG 33 HG2 ARG 33 37.255 22.648 33.970
246 HD2 ARG 33 HD1 ARG 33 38.890 21.156 32.976
247 HD3 ARG 33 HD2 ARG 33 37.548 20.185 33.582
248 HE ARG 33 HE ARG 33 37.051 20.875 30.845
249 HH11 ARG 33 1HH1 ARG 33 39.274 18.665 32.600
250 HH12 ARG 33 2HH1 ARG 33 38.959 17.417 31.400
251 HH21 ARG 33 1HH2 ARG 33 37.076 19.269 29.264
252 HH22 ARG 33 2HH2 ARG 33 37.854 17.738 29.660
253 H TRP 34 HN TRP 34 36.294 22.128 36.107
254 HA TRP 34 HA TRP 34 34.297 23.942 37.394
255 HB2 TRP 34 HB1 TRP 34 36.201 22.561 39.154
256 HB3 TRP 34 HB2 TRP 34 34.454 22.631 39.213
257 HD1 TRP 34 HD1 TRP 34 33.244 20.416 38.681
258 HE1 TRP 34 HE1 TRP 34 33.836 18.173 37.628
259 HE3 TRP 34 HE3 TRP 34 38.028 21.480 37.212
260 HZ2 TRP 34 HZ2 TRP 34 36.125 17.000 36.218
261 HZ3 TRP 34 HZ3 TRP 34 39.330 19.843 35.895
262 HH2 TRP 34 HH2 TRP 34 38.394 17.594 35.410
263 H GLU 35 HN GLU 35 37.772 23.525 36.798
264 HA GLU 35 HA GLU 35 38.355 26.282 37.611
265 HB2 GLU 35 HB1 GLU 35 39.870 23.883 38.741
266 HB3 GLU 35 HB2 GLU 35 40.313 25.579 38.941
267 HG2 GLU 35 HG1 GLU 35 38.182 25.967 40.189
268 HG3 GLU 35 HG2 GLU 35 37.822 24.238 40.070
269 HA PRO 36 HA PRO 36 40.633 26.267 33.888
270 HB2 PRO 36 HB1 PRO 36 43.004 27.298 35.462
271 HB3 PRO 36 HB2 PRO 36 42.394 27.828 33.862
272 HG2 PRO 36 HG1 PRO 36 41.712 29.185 36.097
273 HG3 PRO 36 HG2 PRO 36 40.463 28.832 34.857
274 HD2 PRO 36 HD1 PRO 36 40.943 27.459 37.496
275 HD3 PRO 36 HD2 PRO 36 39.408 27.853 36.674
276 HA PRO 37 HA PRO 37 42.873 22.325 34.325
277 HB2 PRO 37 HB1 PRO 37 42.339 21.232 31.897
278 HB3 PRO 37 HB2 PRO 37 41.078 21.440 33.152
279 HG2 PRO 37 HG1 PRO 37 41.643 23.239 30.803
280 HG3 PRO 37 HG2 PRO 37 40.076 22.569 31.333
281 HD2 PRO 37 HD1 PRO 37 40.865 25.072 32.065
282 HD3 PRO 37 HD2 PRO 37 39.903 24.007 33.146
283 H ALA 38 HN ALA 38 44.685 21.232 33.269
284 HA ALA 38 HA ALA 38 46.814 23.014 32.613
285 HB1 ALA 38 HB1 ALA 38 46.523 19.990 32.258
286 HB2 ALA 38 HB2 ALA 38 48.052 20.889 32.239
287 HB3 ALA 38 HB3 ALA 38 47.087 20.830 33.724
288 H ASP 39 HN ASP 39 44.506 21.503 30.547
289 HA ASP 39 HA ASP 39 46.089 21.670 28.086
290 HB2 ASP 39 HB1 ASP 39 44.599 19.761 28.759
291 HB3 ASP 39 HB2 ASP 39 43.203 20.832 28.601
292 H THR 40 HN THR 40 44.407 23.997 29.713
293 HA THR 40 HA THR 40 42.665 25.089 27.699
294 HB THR 40 HB THR 40 42.548 25.013 30.224
295 HG1 THR 40 HG1 THR 40 41.866 27.463 29.080
296 HG21 THR 40 1HG2 THR 40 43.850 27.751 30.056
297 HG22 THR 40 2HG2 THR 40 43.244 26.901 31.493
298 HG23 THR 40 3HG2 THR 40 44.700 26.308 30.662
299 H ASP 41 HN ASP 41 42.895 27.831 27.642
300 HA ASP 41 HA ASP 41 45.517 28.379 26.342
301 HB2 ASP 41 HB1 ASP 41 43.477 28.137 24.753
302 HB3 ASP 41 HB2 ASP 41 42.897 29.615 25.454
303 H MET 42 HN MET 42 45.459 28.810 28.892
304 HA MET 42 HA MET 42 44.898 31.045 30.195
305 HB2 MET 42 HB1 MET 42 47.664 29.896 29.775
306 HB3 MET 42 HB2 MET 42 47.265 31.116 30.999
307 HG2 MET 42 HG1 MET 42 45.416 29.610 31.828
308 HG3 MET 42 HG2 MET 42 45.996 28.364 30.731
309 HE1 MET 42 HE1 MET 42 45.568 28.094 33.879
310 HE2 MET 42 HE2 MET 42 46.022 26.744 32.807
311 HE3 MET 42 HE3 MET 42 46.952 27.061 34.285
312 H GLU 43 HN GLU 43 47.174 31.235 27.384
313 HA GLU 43 HA GLU 43 47.775 33.972 27.559
314 HB2 GLU 43 HB1 GLU 43 48.595 32.073 25.979
315 HB3 GLU 43 HB2 GLU 43 47.279 32.556 24.921
316 HG2 GLU 43 HG1 GLU 43 49.273 33.654 24.171
317 HG3 GLU 43 HG2 GLU 43 48.264 34.899 24.909
318 H THR 44 HN THR 44 44.847 32.490 26.119
319 HA THR 44 HA THR 44 43.644 35.128 25.466
320 HB THR 44 HB THR 44 42.545 32.283 25.245
321 HG1 THR 44 HG1 THR 44 44.145 32.475 23.942
322 HG21 THR 44 1HG2 THR 44 41.535 34.940 24.091
323 HG22 THR 44 2HG2 THR 44 40.910 33.325 23.679
324 HG23 THR 44 3HG2 THR 44 40.703 33.964 25.317
325 H LEU 45 HN LEU 45 43.655 32.842 28.171
326 HA LEU 45 HA LEU 45 41.173 33.968 29.304
327 HB2 LEU 45 HB1 LEU 45 43.370 32.285 30.564
328 HB3 LEU 45 HB2 LEU 45 41.996 32.847 31.450
329 HG LEU 45 HG LEU 45 41.797 31.095 29.048
330 HD11 LEU 45 1HD1 LEU 45 41.722 30.360 32.000
331 HD12 LEU 45 2HD1 LEU 45 41.342 29.251 30.668
332 HD13 LEU 45 3HD1 LEU 45 42.974 29.918 30.823
333 HD21 LEU 45 3HD2 LEU 45 39.648 31.296 31.142
334 HD22 LEU 45 1HD2 LEU 45 39.687 32.467 29.784
335 HD23 LEU 45 2HD2 LEU 45 39.543 30.741 29.482
336 H LYS 46 HN LYS 46 44.510 35.001 29.164
337 HA LYS 46 HA LYS 46 44.416 36.130 31.713
338 HB2 LYS 46 HB1 LYS 46 46.209 36.319 29.333
339 HB3 LYS 46 HB2 LYS 46 46.156 37.822 30.226
340 HG2 LYS 46 HG1 LYS 46 47.955 36.714 31.079
341 HG3 LYS 46 HG2 LYS 46 46.738 36.572 32.338
342 HD2 LYS 46 HD1 LYS 46 47.426 34.397 30.318
343 HD3 LYS 46 HD2 LYS 46 48.205 34.540 31.873
344 HE2 LYS 46 HE1 LYS 46 45.183 34.113 31.592
345 HE3 LYS 46 HE2 LYS 46 46.341 32.821 31.724
346 HZ1 LYS 46 HZ1 LYS 46 45.919 34.886 33.804
347 HZ2 LYS 46 HZ2 LYS 46 45.559 33.274 33.870
348 HZ3 LYS 46 HZ3 LYS 46 47.113 33.764 33.834
349 H MET 47 HN MET 47 42.891 37.166 28.871
350 HA MET 47 HA MET 47 42.105 39.894 29.629
351 HB2 MET 47 HB1 MET 47 40.989 37.949 27.555
352 HB3 MET 47 HB2 MET 47 40.654 39.675 27.654
353 HG2 MET 47 HG1 MET 47 43.326 38.389 26.989
354 HG3 MET 47 HG2 MET 47 42.204 39.120 25.856
355 HE1 MET 47 HE1 MET 47 41.283 41.862 27.127
356 HE2 MET 47 HE2 MET 47 42.519 42.908 26.412
357 HE3 MET 47 HE3 MET 47 41.826 41.587 25.455
358 H TYR 48 HN TYR 48 41.191 36.825 30.712
359 HA TYR 48 HA TYR 48 38.300 37.468 31.153
360 HB2 TYR 48 HB1 TYR 48 38.767 35.703 29.493
361 HB3 TYR 48 HB2 TYR 48 39.777 34.833 30.621
362 HD1 TYR 48 HD1 TYR 48 36.260 36.171 30.419
363 HD2 TYR 48 HD2 TYR 48 38.929 33.102 31.840
364 HE1 TYR 48 HE1 TYR 48 34.322 34.934 31.352
365 HE2 TYR 48 HE2 TYR 48 36.980 31.840 32.760
366 HH TYR 48 HH TYR 48 33.612 33.075 32.491
367 H MET 49 HN MET 49 40.900 35.399 32.467
368 HA MET 49 HA MET 49 39.737 34.969 35.065
369 HB2 MET 49 HB1 MET 49 42.457 34.471 33.785
370 HB3 MET 49 HB2 MET 49 42.143 34.082 35.481
371 HG2 MET 49 HG1 MET 49 40.719 32.985 33.037
372 HG3 MET 49 HG2 MET 49 41.890 32.146 34.021
373 HE1 MET 49 HE1 MET 49 39.950 31.479 37.344
374 HE2 MET 49 HE2 MET 49 41.522 31.510 36.510
375 HE3 MET 49 HE3 MET 49 40.764 33.020 37.052
376 H ALA 50 HN ALA 50 41.373 37.695 33.827
377 HA ALA 50 HA ALA 50 40.812 39.028 36.352
378 HB1 ALA 50 HB1 ALA 50 43.520 39.311 34.967
379 HB2 ALA 50 HB2 ALA 50 42.919 40.382 36.248
380 HB3 ALA 50 HB3 ALA 50 43.223 38.679 36.604
381 H THR 51 HN THR 51 40.295 41.225 36.049
382 HA THR 51 HA THR 51 39.158 41.804 33.408
383 HB THR 51 HB THR 51 39.046 43.571 35.876
384 HG1 THR 51 HG1 THR 51 37.732 41.156 35.269
385 HG21 THR 51 1HG2 THR 51 38.099 44.536 33.818
386 HG22 THR 51 2HG2 THR 51 37.118 43.074 33.558
387 HG23 THR 51 3HG2 THR 51 36.806 44.122 34.957
388 H TYR 52 HN TYR 52 39.995 43.078 31.902
389 HA TYR 52 HA TYR 52 42.577 44.321 32.163
390 HB2 TYR 52 HB1 TYR 52 41.836 43.553 30.016
391 HB3 TYR 52 HB2 TYR 52 40.371 44.526 30.090
392 HD1 TYR 52 HD2 TYR 52 44.103 44.884 30.161
393 HD2 TYR 52 HD1 TYR 52 40.334 46.683 29.126
394 HE1 TYR 52 HE2 TYR 52 45.307 46.821 29.159
395 HE2 TYR 52 HE1 TYR 52 41.523 48.590 28.079
396 HH TYR 52 HH TYR 52 43.533 49.550 27.654
397 H HIS 53 HN HIS 53 43.213 46.348 32.626
398 HA HIS 53 HA HIS 53 41.224 48.419 33.366
399 HB2 HIS 53 HB1 HIS 53 41.598 46.782 35.252
400 HB3 HIS 53 HB2 HIS 53 43.299 47.227 35.264
401 HD1 HIS 53 HD1 HIS 53 39.870 48.409 36.459
402 HD2 HIS 53 HD2 HIS 53 43.903 49.708 36.240
403 HE1 HIS 53 HE1 HIS 53 40.154 50.302 38.165
Start of MODEL 5
1 H SER 1 H SER 1 26.225 41.227 29.530
2 HA SER 1 HA SER 1 26.000 39.244 30.741
3 HB2 SER 1 HB1 SER 1 23.355 38.903 29.273
4 HB3 SER 1 HB2 SER 1 24.117 37.706 30.350
5 HG SER 1 HG SER 1 22.630 38.955 31.528
6 H MET 2 HN MET 2 27.697 38.354 29.803
7 HA MET 2 HA MET 2 27.737 36.292 28.153
8 HB2 MET 2 HB1 MET 2 28.664 36.972 25.944
9 HB3 MET 2 HB2 MET 2 26.973 37.335 26.155
10 HG2 MET 2 HG1 MET 2 27.659 39.723 26.756
11 HG3 MET 2 HG2 MET 2 29.301 39.294 26.286
12 HE1 MET 2 HE1 MET 2 29.236 41.419 24.594
13 HE2 MET 2 HE2 MET 2 27.805 41.743 23.598
14 HE3 MET 2 HE3 MET 2 27.660 41.673 25.364
15 H VAL 3 HN VAL 3 29.736 35.355 27.903
16 HA VAL 3 HA VAL 3 32.158 36.960 28.646
17 HB VAL 3 HB VAL 3 33.016 35.042 29.953
18 HG11 VAL 3 1HG1 VAL 3 30.467 36.284 31.064
19 HG12 VAL 3 2HG1 VAL 3 31.775 35.548 32.007
20 HG13 VAL 3 3HG1 VAL 3 32.092 37.010 31.068
21 HG21 VAL 3 3HG2 VAL 3 30.161 33.964 29.916
22 HG22 VAL 3 1HG2 VAL 3 31.564 33.213 29.120
23 HG23 VAL 3 2HG2 VAL 3 31.514 33.347 30.880
24 H ASN 4 HN ASN 4 34.117 36.237 27.832
25 HA ASN 4 HA ASN 4 34.048 33.965 25.899
26 HB2 ASN 4 HB1 ASN 4 35.903 36.374 25.969
27 HB3 ASN 4 HB2 ASN 4 36.093 34.980 24.910
28 HD21 ASN 4 2HD2 ASN 4 34.131 34.489 23.445
29 HD22 ASN 4 1HD2 ASN 4 33.315 35.905 22.794
30 H THR 5 HN THR 5 35.253 32.221 26.445
31 HA THR 5 HA THR 5 37.176 32.351 28.782
32 HB THR 5 HB THR 5 36.677 29.984 29.099
33 HG1 THR 5 HG1 THR 5 34.421 29.453 28.333
34 HG21 THR 5 1HG2 THR 5 34.287 31.852 29.429
35 HG22 THR 5 2HG2 THR 5 34.632 30.386 30.385
36 HG23 THR 5 3HG2 THR 5 35.733 31.765 30.452
37 H GLY 6 HN GLY 6 39.168 32.008 28.166
38 HA2 GLY 6 HA1 GLY 6 39.866 30.421 25.801
39 HA3 GLY 6 HA2 GLY 6 40.992 31.019 27.045
40 H LEU 7 HN LEU 7 38.120 28.832 26.947
41 HA LEU 7 HA LEU 7 39.554 26.965 28.762
42 HB2 LEU 7 HB1 LEU 7 36.699 27.586 28.288
43 HB3 LEU 7 HB2 LEU 7 37.087 25.934 28.730
44 HG LEU 7 HG LEU 7 38.084 28.327 30.342
45 HD11 LEU 7 1HD1 LEU 7 36.204 27.955 31.866
46 HD12 LEU 7 2HD1 LEU 7 35.560 28.242 30.241
47 HD13 LEU 7 3HD1 LEU 7 35.625 26.596 30.880
48 HD21 LEU 7 3HD2 LEU 7 37.761 25.392 31.148
49 HD22 LEU 7 1HD2 LEU 7 39.305 26.190 30.801
50 HD23 LEU 7 2HD2 LEU 7 38.339 26.711 32.179
51 HA PRO 8 HA PRO 8 40.085 23.989 25.466
52 HB2 PRO 8 HB1 PRO 8 40.089 21.606 26.665
53 HB3 PRO 8 HB2 PRO 8 41.192 22.867 27.234
54 HG2 PRO 8 HG1 PRO 8 38.390 22.296 28.326
55 HG3 PRO 8 HG2 PRO 8 39.942 22.170 29.204
56 HD2 PRO 8 HD1 PRO 8 38.530 24.451 29.254
57 HD3 PRO 8 HD2 PRO 8 40.296 24.495 29.085
58 H ALA 9 HN ALA 9 38.539 21.303 25.645
59 HA ALA 9 HA ALA 9 36.284 22.113 24.027
60 HB1 ALA 9 HB1 ALA 9 36.983 19.409 25.244
61 HB2 ALA 9 HB2 ALA 9 35.794 19.698 23.964
62 HB3 ALA 9 HB3 ALA 9 37.511 20.014 23.660
63 H GLY 10 HN GLY 10 36.614 21.652 27.453
64 HA2 GLY 10 HA1 GLY 10 33.688 21.795 27.980
65 HA3 GLY 10 HA2 GLY 10 34.977 21.469 29.164
66 H TRP 11 HN TRP 11 33.642 23.919 27.054
67 HA TRP 11 HA TRP 11 34.860 26.079 28.722
68 HB2 TRP 11 HB1 TRP 11 34.963 27.380 26.721
69 HB3 TRP 11 HB2 TRP 11 35.646 25.810 26.382
70 HD1 TRP 11 HD1 TRP 11 34.300 24.266 24.650
71 HE1 TRP 11 HE1 TRP 11 32.509 24.772 22.865
72 HE3 TRP 11 HE3 TRP 11 32.811 28.916 26.246
73 HZ2 TRP 11 HZ2 TRP 11 30.687 26.893 22.226
74 HZ3 TRP 11 HZ3 TRP 11 31.069 30.156 25.009
75 HH2 TRP 11 HH2 TRP 11 29.998 29.163 23.002
76 H GLU 12 HN GLU 12 31.712 24.932 27.946
77 HA GLU 12 HA GLU 12 30.440 27.587 27.955
78 HB2 GLU 12 HB1 GLU 12 29.474 24.723 27.665
79 HB3 GLU 12 HB2 GLU 12 28.348 26.000 28.060
80 HG2 GLU 12 HG1 GLU 12 29.814 27.100 25.925
81 HG3 GLU 12 HG2 GLU 12 29.680 25.397 25.495
82 H VAL 13 HN VAL 13 29.480 28.591 29.695
83 HA VAL 13 HA VAL 13 30.379 27.405 32.275
84 HB VAL 13 HB VAL 13 30.180 29.525 33.314
85 HG11 VAL 13 1HG1 VAL 13 31.446 29.923 30.560
86 HG12 VAL 13 2HG1 VAL 13 31.805 30.836 32.034
87 HG13 VAL 13 3HG1 VAL 13 32.224 29.126 31.939
88 HG21 VAL 13 3HG2 VAL 13 28.922 30.542 30.733
89 HG22 VAL 13 1HG2 VAL 13 28.197 30.528 32.361
90 HG23 VAL 13 2HG2 VAL 13 29.555 31.592 32.020
91 H ARG 14 HN ARG 14 29.107 26.615 33.828
92 HA ARG 14 HA ARG 14 26.184 27.130 33.748
93 HB2 ARG 14 HB1 ARG 14 27.628 24.442 33.859
94 HB3 ARG 14 HB2 ARG 14 25.892 24.637 34.098
95 HG2 ARG 14 HG1 ARG 14 27.343 25.268 31.501
96 HG3 ARG 14 HG2 ARG 14 26.520 23.751 31.874
97 HD2 ARG 14 HD1 ARG 14 24.385 24.830 32.102
98 HD3 ARG 14 HD2 ARG 14 25.105 26.428 31.933
99 HE ARG 14 HE ARG 14 24.392 24.549 29.809
100 HH11 ARG 14 1HH1 ARG 14 26.526 27.307 30.430
101 HH12 ARG 14 2HH1 ARG 14 26.766 27.579 28.724
102 HH21 ARG 14 1HH2 ARG 14 24.718 24.970 27.726
103 HH22 ARG 14 2HH2 ARG 14 25.802 26.267 27.214
104 H HIS 15 HN HIS 15 25.050 26.491 35.673
105 HA HIS 15 HA HIS 15 26.232 25.517 38.069
106 HB2 HIS 15 HB1 HIS 15 25.984 27.628 39.462
107 HB3 HIS 15 HB2 HIS 15 27.401 27.500 38.453
108 HD1 HIS 15 HD1 HIS 15 24.280 29.666 38.910
109 HD2 HIS 15 HD2 HIS 15 27.617 29.171 36.339
110 HE1 HIS 15 HE1 HIS 15 24.415 31.747 37.435
111 H SER 16 HN SER 16 24.711 24.855 39.528
112 HA SER 16 HA SER 16 21.894 24.996 38.780
113 HB2 SER 16 HB1 SER 16 23.110 24.112 41.424
114 HB3 SER 16 HB2 SER 16 21.497 23.729 40.808
115 HG SER 16 HG SER 16 22.597 22.575 39.056
116 H ASN 17 HN ASN 17 20.143 25.839 40.199
117 HA ASN 17 HA ASN 17 20.649 28.557 40.861
118 HB2 ASN 17 HB1 ASN 17 18.522 27.463 39.974
119 HB3 ASN 17 HB2 ASN 17 18.204 26.952 41.640
120 HD21 ASN 17 2HD2 ASN 17 19.020 29.806 39.629
121 HD22 ASN 17 1HD2 ASN 17 18.205 30.983 40.645
122 H SER 18 HN SER 18 20.808 25.734 42.885
123 HA SER 18 HA SER 18 20.748 27.128 45.458
124 HB2 SER 18 HB1 SER 18 21.879 24.386 44.763
125 HB3 SER 18 HB2 SER 18 21.443 24.984 46.371
126 HG SER 18 HG SER 18 19.693 24.512 44.164
127 H LYS 19 HN LYS 19 23.036 27.354 43.053
128 HA LYS 19 HA LYS 19 25.354 27.700 44.886
129 HB2 LYS 19 HB1 LYS 19 25.043 26.000 42.378
130 HB3 LYS 19 HB2 LYS 19 26.623 26.621 42.808
131 HG2 LYS 19 HG1 LYS 19 24.966 24.949 44.746
132 HG3 LYS 19 HG2 LYS 19 26.103 24.262 43.579
133 HD2 LYS 19 HD1 LYS 19 27.949 25.589 44.533
134 HD3 LYS 19 HD2 LYS 19 26.837 26.309 45.709
135 HE2 LYS 19 HE1 LYS 19 26.416 24.133 46.734
136 HE3 LYS 19 HE2 LYS 19 27.419 23.334 45.514
137 HZ1 LYS 19 HZ1 LYS 19 28.665 23.738 47.556
138 HZ2 LYS 19 HZ2 LYS 19 29.317 24.600 46.323
139 HZ3 LYS 19 HZ3 LYS 19 28.405 25.347 47.472
140 H ASN 20 HN ASN 20 27.198 28.771 43.786
141 HA ASN 20 HA ASN 20 26.401 30.812 41.739
142 HB2 ASN 20 HB1 ASN 20 27.843 31.184 44.403
143 HB3 ASN 20 HB2 ASN 20 27.938 32.359 43.097
144 HD21 ASN 20 2HD2 ASN 20 26.198 33.743 42.682
145 HD22 ASN 20 1HD2 ASN 20 24.735 33.738 43.645
146 H LEU 21 HN LEU 21 28.971 28.769 43.096
147 HA LEU 21 HA LEU 21 31.077 29.673 41.333
148 HB2 LEU 21 HB1 LEU 21 31.237 28.729 43.668
149 HB3 LEU 21 HB2 LEU 21 30.818 27.156 43.035
150 HG LEU 21 HG LEU 21 33.130 27.337 43.559
151 HD11 LEU 21 1HD1 LEU 21 33.083 27.241 40.538
152 HD12 LEU 21 2HD1 LEU 21 34.191 26.442 41.649
153 HD13 LEU 21 3HD1 LEU 21 32.496 25.927 41.585
154 HD21 LEU 21 3HD2 LEU 21 34.720 28.823 42.438
155 HD22 LEU 21 1HD2 LEU 21 33.393 29.627 41.581
156 HD23 LEU 21 2HD2 LEU 21 33.496 29.719 43.349
157 HA PRO 22 HA PRO 22 29.462 27.262 37.991
158 HB2 PRO 22 HB1 PRO 22 31.211 27.815 35.975
159 HB3 PRO 22 HB2 PRO 22 30.156 29.063 36.702
160 HG2 PRO 22 HG1 PRO 22 33.041 28.424 37.426
161 HG3 PRO 22 HG2 PRO 22 32.343 30.025 37.012
162 HD2 PRO 22 HD1 PRO 22 32.638 29.214 39.595
163 HD3 PRO 22 HD2 PRO 22 31.208 30.161 39.084
164 H TYR 23 HN TYR 23 29.715 25.552 36.615
165 HA TYR 23 HA TYR 23 32.272 24.057 36.554
166 HB2 TYR 23 HB1 TYR 23 31.186 21.976 36.256
167 HB3 TYR 23 HB2 TYR 23 30.520 22.679 37.715
168 HD1 TYR 23 HD1 TYR 23 28.161 23.684 37.649
169 HD2 TYR 23 HD2 TYR 23 29.813 21.431 34.372
170 HE1 TYR 23 HE1 TYR 23 25.869 23.335 36.733
171 HE2 TYR 23 HE2 TYR 23 27.519 21.089 33.450
172 HH TYR 23 HH TYR 23 24.601 22.366 35.071
173 H TYR 24 HN TYR 24 32.802 23.265 34.412
174 HA TYR 24 HA TYR 24 31.626 25.009 32.290
175 HB2 TYR 24 HB1 TYR 24 34.379 23.743 32.384
176 HB3 TYR 24 HB2 TYR 24 33.793 25.011 31.318
177 HD1 TYR 24 HD2 TYR 24 32.883 27.171 32.554
178 HD2 TYR 24 HD1 TYR 24 35.629 24.370 34.305
179 HE1 TYR 24 HE2 TYR 24 33.644 28.929 34.158
180 HE2 TYR 24 HE1 TYR 24 36.370 26.100 35.935
181 HH TYR 24 HH TYR 24 36.083 28.300 36.702
182 H PHE 25 HN PHE 25 30.337 23.935 30.927
183 HA PHE 25 HA PHE 25 30.170 21.046 30.835
184 HB2 PHE 25 HB1 PHE 25 28.238 22.530 30.977
185 HB3 PHE 25 HB2 PHE 25 28.649 23.289 29.456
186 HD1 PHE 25 HD2 PHE 25 27.394 20.182 31.057
187 HD2 PHE 25 HD1 PHE 25 28.024 22.269 27.333
188 HE1 PHE 25 HE2 PHE 25 25.992 18.512 29.877
189 HE2 PHE 25 HE1 PHE 25 26.584 20.617 26.172
190 HZ PHE 25 HZ PHE 25 25.628 18.695 27.421
191 H ASN 26 HN ASN 26 30.730 19.625 29.270
192 HA ASN 26 HA ASN 26 32.152 20.558 26.843
193 HB2 ASN 26 HB1 ASN 26 31.785 17.806 28.088
194 HB3 ASN 26 HB2 ASN 26 32.544 18.092 26.537
195 HD21 ASN 26 2HD2 ASN 26 34.747 18.225 26.574
196 HD22 ASN 26 1HD2 ASN 26 35.675 18.798 27.942
197 HA PRO 27 HA PRO 27 28.086 19.754 24.859
198 HB2 PRO 27 HB1 PRO 27 28.593 20.919 22.419
199 HB3 PRO 27 HB2 PRO 27 28.097 21.821 23.880
200 HG2 PRO 27 HG1 PRO 27 30.892 21.430 22.787
201 HG3 PRO 27 HG2 PRO 27 30.133 22.943 23.375
202 HD2 PRO 27 HD1 PRO 27 31.790 21.453 24.938
203 HD3 PRO 27 HD2 PRO 27 30.379 22.305 25.628
204 H ALA 28 HN ALA 28 31.311 19.186 23.357
205 HA ALA 28 HA ALA 28 30.400 17.495 21.317
206 HB1 ALA 28 HB1 ALA 28 33.157 17.692 22.616
207 HB2 ALA 28 HB2 ALA 28 32.796 17.059 20.996
208 HB3 ALA 28 HB3 ALA 28 32.510 18.770 21.356
209 H THR 29 HN THR 29 30.952 16.573 24.629
210 HA THR 29 HA THR 29 30.471 13.706 24.101
211 HB THR 29 HB THR 29 32.970 14.665 25.573
212 HG1 THR 29 HG1 THR 29 34.104 14.018 23.837
213 HG21 THR 29 1HG2 THR 29 32.001 11.886 24.748
214 HG22 THR 29 2HG2 THR 29 33.620 12.248 25.380
215 HG23 THR 29 3HG2 THR 29 32.211 12.504 26.404
216 H ARG 30 HN ARG 30 29.627 12.660 26.006
217 HA ARG 30 HA ARG 30 28.393 14.450 27.910
218 HB2 ARG 30 HB1 ARG 30 28.506 11.420 27.827
219 HB3 ARG 30 HB2 ARG 30 27.568 12.364 28.992
220 HG2 ARG 30 HG1 ARG 30 26.262 13.391 27.169
221 HG3 ARG 30 HG2 ARG 30 27.180 12.458 25.981
222 HD2 ARG 30 HD1 ARG 30 26.410 10.347 27.156
223 HD3 ARG 30 HD2 ARG 30 25.338 11.361 28.141
224 HE ARG 30 HE ARG 30 24.773 12.071 25.507
225 HH11 ARG 30 1HH1 ARG 30 24.451 9.051 27.356
226 HH12 ARG 30 2HH1 ARG 30 23.240 8.459 26.249
227 HH21 ARG 30 1HH2 ARG 30 23.294 11.259 24.212
228 HH22 ARG 30 2HH2 ARG 30 22.576 9.670 24.506
229 H GLU 31 HN GLU 31 30.124 15.539 28.852
230 HA GLU 31 HA GLU 31 30.877 14.505 31.422
231 HB2 GLU 31 HB1 GLU 31 32.622 13.477 29.889
232 HB3 GLU 31 HB2 GLU 31 33.135 15.096 29.453
233 HG2 GLU 31 HG1 GLU 31 34.561 13.870 31.125
234 HG3 GLU 31 HG2 GLU 31 34.057 15.464 31.642
235 H SER 32 HN SER 32 32.404 16.309 32.510
236 HA SER 32 HA SER 32 32.356 18.943 31.282
237 HB2 SER 32 HB1 SER 32 31.215 20.056 33.201
238 HB3 SER 32 HB2 SER 32 30.176 19.108 32.133
239 HG SER 32 HG SER 32 31.031 18.542 34.767
240 H ARG 33 HN ARG 33 33.649 20.459 32.245
241 HA ARG 33 HA ARG 33 35.926 19.378 33.809
242 HB2 ARG 33 HB1 ARG 33 36.047 20.373 31.399
243 HB3 ARG 33 HB2 ARG 33 35.723 21.918 32.140
244 HG2 ARG 33 HG1 ARG 33 38.057 21.771 31.772
245 HG3 ARG 33 HG2 ARG 33 37.810 21.675 33.516
246 HD2 ARG 33 HD1 ARG 33 39.572 20.168 32.518
247 HD3 ARG 33 HD2 ARG 33 38.407 19.393 33.598
248 HE ARG 33 HE ARG 33 38.189 19.274 30.591
249 HH11 ARG 33 1HH1 ARG 33 38.289 17.386 33.628
250 HH12 ARG 33 2HH1 ARG 33 37.869 15.931 32.755
251 HH21 ARG 33 1HH2 ARG 33 37.666 17.384 29.666
252 HH22 ARG 33 2HH2 ARG 33 37.532 15.913 30.626
253 H TRP 34 HN TRP 34 36.406 20.255 35.781
254 HA TRP 34 HA TRP 34 34.394 22.027 37.004
255 HB2 TRP 34 HB1 TRP 34 36.467 20.845 38.736
256 HB3 TRP 34 HB2 TRP 34 34.722 20.742 38.824
257 HD1 TRP 34 HD1 TRP 34 33.718 18.462 38.253
258 HE1 TRP 34 HE1 TRP 34 34.520 16.283 37.155
259 HE3 TRP 34 HE3 TRP 34 38.460 19.901 36.939
260 HZ2 TRP 34 HZ2 TRP 34 36.927 15.280 35.905
261 HZ3 TRP 34 HZ3 TRP 34 39.999 18.287 35.864
262 HH2 TRP 34 HH2 TRP 34 39.249 15.994 35.334
263 H GLU 35 HN GLU 35 37.781 22.127 36.232
264 HA GLU 35 HA GLU 35 38.352 24.632 37.703
265 HB2 GLU 35 HB1 GLU 35 39.590 21.872 38.160
266 HB3 GLU 35 HB2 GLU 35 40.395 23.366 38.646
267 HG2 GLU 35 HG1 GLU 35 38.549 23.972 40.095
268 HG3 GLU 35 HG2 GLU 35 37.620 22.562 39.612
269 HA PRO 36 HA PRO 36 40.619 25.402 34.093
270 HB2 PRO 36 HB1 PRO 36 42.893 26.756 34.825
271 HB3 PRO 36 HB2 PRO 36 41.241 27.441 34.875
272 HG2 PRO 36 HG1 PRO 36 42.804 26.182 37.153
273 HG3 PRO 36 HG2 PRO 36 41.904 27.730 37.147
274 HD2 PRO 36 HD1 PRO 36 40.800 25.476 38.149
275 HD3 PRO 36 HD2 PRO 36 39.807 26.616 37.193
276 HA PRO 37 HA PRO 37 43.625 21.957 33.958
277 HB2 PRO 37 HB1 PRO 37 43.481 21.433 31.274
278 HB3 PRO 37 HB2 PRO 37 42.236 20.932 32.445
279 HG2 PRO 37 HG1 PRO 37 42.105 23.157 30.498
280 HG3 PRO 37 HG2 PRO 37 40.824 22.080 31.109
281 HD2 PRO 37 HD1 PRO 37 41.290 24.675 32.059
282 HD3 PRO 37 HD2 PRO 37 40.349 23.387 32.869
283 H ALA 38 HN ALA 38 45.721 21.640 32.690
284 HA ALA 38 HA ALA 38 47.146 24.138 32.071
285 HB1 ALA 38 HB1 ALA 38 47.917 21.216 31.619
286 HB2 ALA 38 HB2 ALA 38 48.981 22.626 31.543
287 HB3 ALA 38 HB3 ALA 38 48.256 22.146 33.096
288 H ASP 39 HN ASP 39 45.404 21.637 30.360
289 HA ASP 39 HA ASP 39 46.165 22.087 27.694
290 HB2 ASP 39 HB1 ASP 39 44.806 20.205 28.933
291 HB3 ASP 39 HB2 ASP 39 43.394 21.184 28.554
292 H THR 40 HN THR 40 44.749 24.393 29.525
293 HA THR 40 HA THR 40 42.634 25.341 27.749
294 HB THR 40 HB THR 40 42.705 25.082 30.287
295 HG1 THR 40 HG1 THR 40 41.726 27.530 29.359
296 HG21 THR 40 1HG2 THR 40 43.776 27.918 30.161
297 HG22 THR 40 2HG2 THR 40 43.279 27.007 31.604
298 HG23 THR 40 3HG2 THR 40 44.734 26.522 30.704
299 H ASP 41 HN ASP 41 42.468 27.921 27.619
300 HA ASP 41 HA ASP 41 44.826 28.764 26.005
301 HB2 ASP 41 HB1 ASP 41 41.848 28.810 25.609
302 HB3 ASP 41 HB2 ASP 41 42.739 30.185 25.002
303 H MET 42 HN MET 42 44.883 29.179 28.679
304 HA MET 42 HA MET 42 44.257 31.189 30.061
305 HB2 MET 42 HB1 MET 42 47.124 30.457 29.546
306 HB3 MET 42 HB2 MET 42 46.619 31.595 30.805
307 HG2 MET 42 HG1 MET 42 44.932 29.797 31.560
308 HG3 MET 42 HG2 MET 42 45.864 28.677 30.559
309 HE1 MET 42 HE1 MET 42 48.785 29.395 30.804
310 HE2 MET 42 HE2 MET 42 49.307 28.474 32.228
311 HE3 MET 42 HE3 MET 42 48.179 27.745 31.070
312 H GLU 43 HN GLU 43 46.290 32.217 27.185
313 HA GLU 43 HA GLU 43 46.459 34.949 27.873
314 HB2 GLU 43 HB1 GLU 43 47.480 33.966 25.852
315 HB3 GLU 43 HB2 GLU 43 45.876 33.738 25.137
316 HG2 GLU 43 HG1 GLU 43 45.570 36.281 25.286
317 HG3 GLU 43 HG2 GLU 43 47.266 36.375 25.767
318 H THR 44 HN THR 44 43.747 33.255 26.301
319 HA THR 44 HA THR 44 41.965 35.562 26.240
320 HB THR 44 HB THR 44 41.473 32.603 25.708
321 HG1 THR 44 HG1 THR 44 42.207 32.962 23.776
322 HG21 THR 44 1HG2 THR 44 39.641 33.442 24.237
323 HG22 THR 44 2HG2 THR 44 39.337 33.850 25.932
324 HG23 THR 44 3HG2 THR 44 39.938 35.096 24.820
325 H LEU 45 HN LEU 45 42.752 33.129 28.648
326 HA LEU 45 HA LEU 45 40.188 33.614 30.072
327 HB2 LEU 45 HB1 LEU 45 42.622 31.988 30.836
328 HB3 LEU 45 HB2 LEU 45 41.359 32.307 31.964
329 HG LEU 45 HG LEU 45 40.965 30.957 29.341
330 HD11 LEU 45 1HD1 LEU 45 41.256 29.790 32.129
331 HD12 LEU 45 2HD1 LEU 45 40.746 28.861 30.720
332 HD13 LEU 45 3HD1 LEU 45 42.361 29.600 30.761
333 HD21 LEU 45 3HD2 LEU 45 39.013 30.712 31.609
334 HD22 LEU 45 1HD2 LEU 45 38.839 31.997 30.362
335 HD23 LEU 45 2HD2 LEU 45 38.807 30.302 29.912
336 H LYS 46 HN LYS 46 43.496 34.934 30.043
337 HA LYS 46 HA LYS 46 43.073 35.922 32.662
338 HB2 LYS 46 HB1 LYS 46 45.082 36.491 30.476
339 HB3 LYS 46 HB2 LYS 46 44.859 37.772 31.641
340 HG2 LYS 46 HG1 LYS 46 46.640 36.638 32.488
341 HG3 LYS 46 HG2 LYS 46 45.316 36.105 33.512
342 HD2 LYS 46 HD1 LYS 46 46.273 34.496 31.114
343 HD3 LYS 46 HD2 LYS 46 47.116 34.414 32.641
344 HE2 LYS 46 HE1 LYS 46 44.136 33.929 32.697
345 HE3 LYS 46 HE2 LYS 46 45.147 32.681 32.003
346 HZ1 LYS 46 HZ1 LYS 46 44.821 32.387 34.397
347 HZ2 LYS 46 HZ2 LYS 46 46.421 32.567 34.042
348 HZ3 LYS 46 HZ3 LYS 46 45.597 33.794 34.721
349 H MET 47 HN MET 47 41.615 36.754 29.787
350 HA MET 47 HA MET 47 40.531 39.388 30.581
351 HB2 MET 47 HB1 MET 47 39.695 37.627 28.242
352 HB3 MET 47 HB2 MET 47 39.459 39.365 28.439
353 HG2 MET 47 HG1 MET 47 42.077 37.906 27.904
354 HG3 MET 47 HG2 MET 47 41.190 38.942 26.804
355 HE1 MET 47 HE1 MET 47 42.524 40.902 26.135
356 HE2 MET 47 HE2 MET 47 41.034 41.475 26.918
357 HE3 MET 47 HE3 MET 47 42.576 42.288 27.239
358 H TYR 48 HN TYR 48 39.975 36.410 31.749
359 HA TYR 48 HA TYR 48 37.009 36.695 32.070
360 HB2 TYR 48 HB1 TYR 48 37.447 35.073 30.310
361 HB3 TYR 48 HB2 TYR 48 38.637 34.229 31.288
362 HD1 TYR 48 HD1 TYR 48 35.030 35.333 31.590
363 HD2 TYR 48 HD2 TYR 48 38.025 32.337 32.382
364 HE1 TYR 48 HE1 TYR 48 33.328 33.942 32.739
365 HE2 TYR 48 HE2 TYR 48 36.300 30.901 33.459
366 HH TYR 48 HH TYR 48 32.938 32.087 34.005
367 H MET 49 HN MET 49 39.728 34.688 33.173
368 HA MET 49 HA MET 49 38.808 34.336 35.915
369 HB2 MET 49 HB1 MET 49 41.463 33.691 34.518
370 HB3 MET 49 HB2 MET 49 40.951 33.124 36.124
371 HG2 MET 49 HG1 MET 49 38.862 32.205 34.780
372 HG3 MET 49 HG2 MET 49 39.918 32.424 33.378
373 HE1 MET 49 HE1 MET 49 40.159 31.024 37.055
374 HE2 MET 49 HE2 MET 49 38.783 30.268 36.219
375 HE3 MET 49 HE3 MET 49 40.188 29.289 36.684
376 H ALA 50 HN ALA 50 40.078 36.926 34.346
377 HA ALA 50 HA ALA 50 40.270 38.503 36.710
378 HB1 ALA 50 HB1 ALA 50 42.766 38.321 34.943
379 HB2 ALA 50 HB2 ALA 50 42.530 39.423 36.317
380 HB3 ALA 50 HB3 ALA 50 42.639 37.681 36.592
381 H THR 51 HN THR 51 41.201 40.864 35.500
382 HA THR 51 HA THR 51 39.866 41.118 32.864
383 HB THR 51 HB THR 51 39.016 43.397 33.524
384 HG1 THR 51 HG1 THR 51 40.149 43.725 35.408
385 HG21 THR 51 1HG2 THR 51 37.787 41.050 35.030
386 HG22 THR 51 2HG2 THR 51 36.991 42.583 34.618
387 HG23 THR 51 3HG2 THR 51 37.491 41.481 33.329
388 H TYR 52 HN TYR 52 40.430 43.057 31.755
389 HA TYR 52 HA TYR 52 43.254 43.948 32.201
390 HB2 TYR 52 HB1 TYR 52 42.969 42.181 30.499
391 HB3 TYR 52 HB2 TYR 52 41.810 43.187 29.635
392 HD1 TYR 52 HD1 TYR 52 45.346 42.777 30.630
393 HD2 TYR 52 HD2 TYR 52 42.561 45.063 28.265
394 HE1 TYR 52 HE1 TYR 52 47.241 43.764 29.375
395 HE2 TYR 52 HE2 TYR 52 44.462 46.072 27.013
396 HH TYR 52 HH TYR 52 47.861 45.128 27.647
397 H HIS 53 HN HIS 53 43.558 46.086 32.121
398 HA HIS 53 HA HIS 53 42.094 48.110 30.715
399 HB2 HIS 53 HB1 HIS 53 40.346 47.515 32.394
400 HB3 HIS 53 HB2 HIS 53 41.490 47.752 33.689
401 HD1 HIS 53 HD1 HIS 53 41.600 50.185 34.702
402 HD2 HIS 53 HD2 HIS 53 39.426 49.720 31.095
403 HE1 HIS 53 HE1 HIS 53 40.202 52.308 34.395
Start of MODEL 6
1 H SER 1 H SER 1 25.517 37.512 29.683
2 HA SER 1 HA SER 1 25.840 38.999 27.860
3 HB2 SER 1 HB1 SER 1 27.663 40.386 29.846
4 HB3 SER 1 HB2 SER 1 27.822 40.601 28.098
5 HG SER 1 HG SER 1 26.451 42.133 28.709
6 H MET 2 HN MET 2 27.784 38.895 26.407
7 HA MET 2 HA MET 2 28.787 36.234 26.369
8 HB2 MET 2 HB1 MET 2 29.557 38.751 24.829
9 HB3 MET 2 HB2 MET 2 30.210 37.158 24.464
10 HG2 MET 2 HG1 MET 2 27.258 37.909 24.407
11 HG3 MET 2 HG2 MET 2 28.300 37.767 23.007
12 HE1 MET 2 HE1 MET 2 29.032 35.688 21.851
13 HE2 MET 2 HE2 MET 2 29.994 35.252 23.277
14 HE3 MET 2 HE3 MET 2 28.934 34.049 22.536
15 H VAL 3 HN VAL 3 30.736 35.318 26.828
16 HA VAL 3 HA VAL 3 32.944 37.087 27.795
17 HB VAL 3 HB VAL 3 33.643 35.353 29.398
18 HG11 VAL 3 1HG1 VAL 3 32.136 36.076 31.174
19 HG12 VAL 3 2HG1 VAL 3 32.490 37.428 30.088
20 HG13 VAL 3 3HG1 VAL 3 30.924 36.593 29.985
21 HG21 VAL 3 3HG2 VAL 3 30.844 34.191 29.024
22 HG22 VAL 3 1HG2 VAL 3 32.387 33.393 28.636
23 HG23 VAL 3 2HG2 VAL 3 31.982 33.762 30.313
24 H ASN 4 HN ASN 4 34.717 36.881 26.736
25 HA ASN 4 HA ASN 4 35.295 34.596 24.963
26 HB2 ASN 4 HB1 ASN 4 37.003 36.962 25.839
27 HB3 ASN 4 HB2 ASN 4 37.438 35.773 24.625
28 HD21 ASN 4 2HD2 ASN 4 35.782 35.609 22.696
29 HD22 ASN 4 1HD2 ASN 4 35.116 37.144 22.154
30 H THR 5 HN THR 5 36.445 32.816 25.569
31 HA THR 5 HA THR 5 38.046 32.729 28.132
32 HB THR 5 HB THR 5 37.349 30.460 28.420
33 HG1 THR 5 HG1 THR 5 35.420 30.967 26.386
34 HG21 THR 5 1HG2 THR 5 35.154 30.894 29.327
35 HG22 THR 5 2HG2 THR 5 36.304 32.206 29.621
36 HG23 THR 5 3HG2 THR 5 35.027 32.401 28.390
37 H GLY 6 HN GLY 6 39.963 31.791 27.866
38 HA2 GLY 6 HA1 GLY 6 40.708 30.307 25.428
39 HA3 GLY 6 HA2 GLY 6 41.699 30.527 26.891
40 H LEU 7 HN LEU 7 38.479 29.416 27.598
41 HA LEU 7 HA LEU 7 39.515 26.960 28.693
42 HB2 LEU 7 HB1 LEU 7 36.758 28.159 28.410
43 HB3 LEU 7 HB2 LEU 7 36.923 26.494 28.920
44 HG LEU 7 HG LEU 7 38.379 28.767 30.322
45 HD11 LEU 7 1HD1 LEU 7 35.747 27.427 31.099
46 HD12 LEU 7 2HD1 LEU 7 36.626 28.645 32.047
47 HD13 LEU 7 3HD1 LEU 7 35.920 29.084 30.487
48 HD21 LEU 7 3HD2 LEU 7 37.791 25.895 31.189
49 HD22 LEU 7 1HD2 LEU 7 39.388 26.554 30.774
50 HD23 LEU 7 2HD2 LEU 7 38.542 27.143 32.202
51 HA PRO 8 HA PRO 8 39.590 24.428 25.264
52 HB2 PRO 8 HB1 PRO 8 38.976 21.897 26.048
53 HB3 PRO 8 HB2 PRO 8 40.373 22.789 26.706
54 HG2 PRO 8 HG1 PRO 8 37.576 22.618 27.889
55 HG3 PRO 8 HG2 PRO 8 39.122 22.162 28.669
56 HD2 PRO 8 HD1 PRO 8 38.068 24.585 29.098
57 HD3 PRO 8 HD2 PRO 8 39.808 24.448 28.809
58 H ALA 9 HN ALA 9 38.366 22.674 23.884
59 HA ALA 9 HA ALA 9 36.028 23.773 22.770
60 HB1 ALA 9 HB1 ALA 9 37.038 20.891 22.763
61 HB2 ALA 9 HB2 ALA 9 35.903 21.604 21.599
62 HB3 ALA 9 HB3 ALA 9 37.578 22.189 21.678
63 H GLY 10 HN GLY 10 36.305 21.241 25.235
64 HA2 GLY 10 HA1 GLY 10 33.411 20.875 25.553
65 HA3 GLY 10 HA2 GLY 10 34.711 20.105 26.504
66 H TRP 11 HN TRP 11 33.397 23.419 25.919
67 HA TRP 11 HA TRP 11 32.919 23.644 28.831
68 HB2 TRP 11 HB1 TRP 11 34.263 25.401 29.179
69 HB3 TRP 11 HB2 TRP 11 35.178 24.781 27.826
70 HD1 TRP 11 HD1 TRP 11 34.228 25.892 25.355
71 HE1 TRP 11 HE1 TRP 11 33.455 28.271 24.791
72 HE3 TRP 11 HE3 TRP 11 33.484 27.609 30.103
73 HZ2 TRP 11 HZ2 TRP 11 32.365 30.521 26.228
74 HZ3 TRP 11 HZ3 TRP 11 32.466 29.840 30.478
75 HH2 TRP 11 HH2 TRP 11 31.846 31.270 28.552
76 H GLU 12 HN GLU 12 31.501 25.283 29.465
77 HA GLU 12 HA GLU 12 30.468 27.446 28.127
78 HB2 GLU 12 HB1 GLU 12 29.102 25.987 26.712
79 HB3 GLU 12 HB2 GLU 12 28.525 25.094 28.119
80 HG2 GLU 12 HG1 GLU 12 26.842 26.644 27.223
81 HG3 GLU 12 HG2 GLU 12 27.263 27.045 28.882
82 H VAL 13 HN VAL 13 29.318 28.737 29.759
83 HA VAL 13 HA VAL 13 29.981 27.715 32.471
84 HB VAL 13 HB VAL 13 30.678 29.974 31.822
85 HG11 VAL 13 1HG1 VAL 13 27.756 30.791 32.078
86 HG12 VAL 13 2HG1 VAL 13 29.149 31.858 31.829
87 HG13 VAL 13 3HG1 VAL 13 28.682 30.719 30.560
88 HG21 VAL 13 3HG2 VAL 13 28.854 29.965 34.249
89 HG22 VAL 13 1HG2 VAL 13 30.503 29.294 34.173
90 HG23 VAL 13 2HG2 VAL 13 30.238 31.030 33.945
91 H ARG 14 HN ARG 14 28.642 27.283 34.121
92 HA ARG 14 HA ARG 14 25.726 27.705 33.807
93 HB2 ARG 14 HB1 ARG 14 27.193 25.111 34.353
94 HB3 ARG 14 HB2 ARG 14 25.488 25.327 34.738
95 HG2 ARG 14 HG1 ARG 14 26.706 25.506 31.945
96 HG3 ARG 14 HG2 ARG 14 25.836 24.131 32.607
97 HD2 ARG 14 HD1 ARG 14 24.644 26.894 32.175
98 HD3 ARG 14 HD2 ARG 14 24.423 25.505 31.119
99 HE ARG 14 HE ARG 14 23.246 24.339 32.867
100 HH11 ARG 14 1HH1 ARG 14 23.627 27.837 33.695
101 HH12 ARG 14 2HH1 ARG 14 22.351 27.699 34.867
102 HH21 ARG 14 1HH2 ARG 14 21.509 24.446 34.262
103 HH22 ARG 14 2HH2 ARG 14 21.260 25.893 35.216
104 H HIS 15 HN HIS 15 25.402 29.100 35.402
105 HA HIS 15 HA HIS 15 26.619 28.902 38.052
106 HB2 HIS 15 HB1 HIS 15 24.491 30.644 36.798
107 HB3 HIS 15 HB2 HIS 15 24.870 30.718 38.512
108 HD1 HIS 15 HD1 HIS 15 27.261 31.727 39.251
109 HD2 HIS 15 HD2 HIS 15 26.423 31.575 35.089
110 HE1 HIS 15 HE1 HIS 15 28.983 33.203 38.075
111 H SER 16 HN SER 16 26.142 27.403 39.493
112 HA SER 16 HA SER 16 24.179 25.459 39.107
113 HB2 SER 16 HB1 SER 16 26.198 25.000 40.286
114 HB3 SER 16 HB2 SER 16 25.829 26.173 41.545
115 HG SER 16 HG SER 16 25.448 23.884 42.070
116 H ASN 17 HN ASN 17 22.347 24.755 40.126
117 HA ASN 17 HA ASN 17 20.516 26.650 41.399
118 HB2 ASN 17 HB1 ASN 17 19.810 24.787 39.891
119 HB3 ASN 17 HB2 ASN 17 20.375 23.620 41.083
120 HD21 ASN 17 2HD2 ASN 17 17.710 25.592 40.090
121 HD22 ASN 17 1HD2 ASN 17 16.692 25.257 41.474
122 H SER 18 HN SER 18 22.818 24.132 42.471
123 HA SER 18 HA SER 18 21.731 24.187 45.231
124 HB2 SER 18 HB1 SER 18 22.407 22.039 44.047
125 HB3 SER 18 HB2 SER 18 24.094 22.556 44.252
126 HG SER 18 HG SER 18 23.249 21.192 46.019
127 H LYS 19 HN LYS 19 24.434 25.607 43.494
128 HA LYS 19 HA LYS 19 25.295 26.928 46.037
129 HB2 LYS 19 HB1 LYS 19 27.133 25.739 43.913
130 HB3 LYS 19 HB2 LYS 19 27.645 26.739 45.277
131 HG2 LYS 19 HG1 LYS 19 26.649 24.990 46.840
132 HG3 LYS 19 HG2 LYS 19 26.343 23.984 45.426
133 HD2 LYS 19 HD1 LYS 19 28.373 23.170 46.299
134 HD3 LYS 19 HD2 LYS 19 28.820 24.118 44.885
135 HE2 LYS 19 HE1 LYS 19 30.395 24.720 46.559
136 HE3 LYS 19 HE2 LYS 19 29.267 26.080 46.497
137 HZ1 LYS 19 HZ1 LYS 19 29.272 23.889 48.501
138 HZ2 LYS 19 HZ2 LYS 19 29.693 25.460 48.761
139 HZ3 LYS 19 HZ3 LYS 19 28.140 25.076 48.458
140 H ASN 20 HN ASN 20 26.245 29.000 45.800
141 HA ASN 20 HA ASN 20 25.245 30.546 43.506
142 HB2 ASN 20 HB1 ASN 20 26.652 31.352 46.080
143 HB3 ASN 20 HB2 ASN 20 26.078 32.484 44.859
144 HD21 ASN 20 2HD2 ASN 20 23.586 32.068 44.198
145 HD22 ASN 20 1HD2 ASN 20 22.543 31.678 45.551
146 H LEU 21 HN LEU 21 26.843 28.928 42.292
147 HA LEU 21 HA LEU 21 29.508 30.143 41.857
148 HB2 LEU 21 HB1 LEU 21 29.299 28.567 43.936
149 HB3 LEU 21 HB2 LEU 21 29.157 27.263 42.790
150 HG LEU 21 HG LEU 21 31.343 27.477 43.818
151 HD11 LEU 21 1HD1 LEU 21 31.730 28.111 40.892
152 HD12 LEU 21 2HD1 LEU 21 32.754 27.152 41.956
153 HD13 LEU 21 3HD1 LEU 21 31.155 26.541 41.498
154 HD21 LEU 21 3HD2 LEU 21 31.693 30.147 42.417
155 HD22 LEU 21 1HD2 LEU 21 31.395 29.919 44.150
156 HD23 LEU 21 2HD2 LEU 21 32.882 29.297 43.415
157 HA PRO 22 HA PRO 22 28.533 28.125 37.902
158 HB2 PRO 22 HB1 PRO 22 30.625 28.961 36.380
159 HB3 PRO 22 HB2 PRO 22 29.291 30.040 36.862
160 HG2 PRO 22 HG1 PRO 22 32.027 29.752 38.139
161 HG3 PRO 22 HG2 PRO 22 31.139 31.258 37.750
162 HD2 PRO 22 HD1 PRO 22 31.171 30.115 40.266
163 HD3 PRO 22 HD2 PRO 22 29.787 31.059 39.648
164 H TYR 23 HN TYR 23 28.834 26.105 37.301
165 HA TYR 23 HA TYR 23 31.594 24.946 37.284
166 HB2 TYR 23 HB1 TYR 23 30.614 22.786 36.856
167 HB3 TYR 23 HB2 TYR 23 29.996 23.428 38.361
168 HD1 TYR 23 HD1 TYR 23 29.138 22.514 34.875
169 HD2 TYR 23 HD2 TYR 23 27.632 24.028 38.616
170 HE1 TYR 23 HE1 TYR 23 26.801 22.197 34.062
171 HE2 TYR 23 HE2 TYR 23 25.298 23.664 37.822
172 HH TYR 23 HH TYR 23 24.572 22.487 34.520
173 H TYR 24 HN TYR 24 32.137 23.868 35.147
174 HA TYR 24 HA TYR 24 30.811 25.281 32.866
175 HB2 TYR 24 HB1 TYR 24 33.517 23.937 32.998
176 HB3 TYR 24 HB2 TYR 24 32.831 24.739 31.591
177 HD1 TYR 24 HD2 TYR 24 32.001 27.235 32.049
178 HD2 TYR 24 HD1 TYR 24 35.014 25.194 34.344
179 HE1 TYR 24 HE2 TYR 24 32.868 29.423 32.838
180 HE2 TYR 24 HE1 TYR 24 35.929 27.386 35.099
181 HH TYR 24 HH TYR 24 35.777 29.695 34.921
182 H PHE 25 HN PHE 25 29.633 24.104 31.443
183 HA PHE 25 HA PHE 25 29.380 21.155 31.769
184 HB2 PHE 25 HB1 PHE 25 27.366 22.622 31.641
185 HB3 PHE 25 HB2 PHE 25 27.860 23.154 30.041
186 HD1 PHE 25 HD2 PHE 25 26.569 20.320 32.052
187 HD2 PHE 25 HD1 PHE 25 27.583 21.666 28.075
188 HE1 PHE 25 HE2 PHE 25 25.325 18.405 31.078
189 HE2 PHE 25 HE1 PHE 25 26.349 19.737 27.116
190 HZ PHE 25 HZ PHE 25 25.218 18.112 28.615
191 H ASN 26 HN ASN 26 30.110 19.676 30.224
192 HA ASN 26 HA ASN 26 31.774 20.800 28.044
193 HB2 ASN 26 HB1 ASN 26 31.617 18.015 29.197
194 HB3 ASN 26 HB2 ASN 26 32.663 18.515 27.879
195 HD21 ASN 26 2HD2 ASN 26 34.596 17.880 29.087
196 HD22 ASN 26 1HD2 ASN 26 35.120 18.939 30.383
197 HA PRO 27 HA PRO 27 28.254 19.494 25.380
198 HB2 PRO 27 HB1 PRO 27 28.933 20.923 23.128
199 HB3 PRO 27 HB2 PRO 27 28.066 21.615 24.526
200 HG2 PRO 27 HG1 PRO 27 31.036 21.756 23.920
201 HG3 PRO 27 HG2 PRO 27 29.941 23.087 24.415
202 HD2 PRO 27 HD1 PRO 27 31.510 21.803 26.207
203 HD3 PRO 27 HD2 PRO 27 29.861 22.326 26.640
204 H ALA 28 HN ALA 28 31.724 19.655 24.402
205 HA ALA 28 HA ALA 28 31.504 17.939 22.186
206 HB1 ALA 28 HB1 ALA 28 33.919 18.587 23.955
207 HB2 ALA 28 HB2 ALA 28 33.986 17.929 22.313
208 HB3 ALA 28 HB3 ALA 28 33.339 19.556 22.578
209 H THR 29 HN THR 29 31.792 17.107 25.552
210 HA THR 29 HA THR 29 31.735 14.177 25.100
211 HB THR 29 HB THR 29 33.825 15.660 26.747
212 HG1 THR 29 HG1 THR 29 35.144 15.195 25.205
213 HG21 THR 29 1HG2 THR 29 33.228 12.682 26.482
214 HG22 THR 29 2HG2 THR 29 34.761 13.332 27.106
215 HG23 THR 29 3HG2 THR 29 33.256 13.661 27.971
216 H ARG 30 HN ARG 30 30.279 13.340 26.630
217 HA ARG 30 HA ARG 30 28.784 15.122 28.283
218 HB2 ARG 30 HB1 ARG 30 28.909 12.077 28.227
219 HB3 ARG 30 HB2 ARG 30 27.740 13.021 29.154
220 HG2 ARG 30 HG1 ARG 30 26.922 14.085 27.055
221 HG3 ARG 30 HG2 ARG 30 28.071 13.110 26.129
222 HD2 ARG 30 HD1 ARG 30 25.883 12.126 25.970
223 HD3 ARG 30 HD2 ARG 30 26.944 11.043 26.886
224 HE ARG 30 HE ARG 30 25.608 12.675 28.766
225 HH11 ARG 30 1HH1 ARG 30 24.536 10.219 26.385
226 HH12 ARG 30 2HH1 ARG 30 23.249 9.724 27.481
227 HH21 ARG 30 1HH2 ARG 30 23.912 11.996 29.938
228 HH22 ARG 30 2HH2 ARG 30 22.894 10.676 29.362
229 H GLU 31 HN GLU 31 29.909 16.212 29.774
230 HA GLU 31 HA GLU 31 30.953 15.039 32.208
231 HB2 GLU 31 HB1 GLU 31 32.741 14.476 30.549
232 HB3 GLU 31 HB2 GLU 31 32.893 16.171 30.146
233 HG2 GLU 31 HG1 GLU 31 34.705 15.336 31.584
234 HG3 GLU 31 HG2 GLU 31 33.852 16.645 32.350
235 H SER 32 HN SER 32 32.147 16.868 33.497
236 HA SER 32 HA SER 32 31.563 19.600 32.597
237 HB2 SER 32 HB1 SER 32 30.725 20.300 34.842
238 HB3 SER 32 HB2 SER 32 29.617 19.279 33.920
239 HG SER 32 HG SER 32 29.717 18.672 36.115
240 H ARG 33 HN ARG 33 33.010 21.116 33.285
241 HA ARG 33 HA ARG 33 35.516 20.135 34.579
242 HB2 ARG 33 HB1 ARG 33 35.519 20.865 32.149
243 HB3 ARG 33 HB2 ARG 33 35.088 22.471 32.672
244 HG2 ARG 33 HG1 ARG 33 37.396 22.573 32.266
245 HG3 ARG 33 HG2 ARG 33 37.236 22.529 34.031
246 HD2 ARG 33 HD1 ARG 33 39.090 21.164 33.284
247 HD3 ARG 33 HD2 ARG 33 37.857 20.129 34.042
248 HE ARG 33 HE ARG 33 37.561 20.393 31.151
249 HH11 ARG 33 1HH1 ARG 33 39.463 18.435 33.452
250 HH12 ARG 33 2HH1 ARG 33 39.149 16.981 32.549
251 HH21 ARG 33 1HH2 ARG 33 37.695 18.632 29.848
252 HH22 ARG 33 2HH2 ARG 33 38.344 17.132 30.451
253 H TRP 34 HN TRP 34 36.404 21.265 36.233
254 HA TRP 34 HA TRP 34 34.717 23.300 37.631
255 HB2 TRP 34 HB1 TRP 34 36.075 21.788 39.563
256 HB3 TRP 34 HB2 TRP 34 34.393 21.691 39.113
257 HD1 TRP 34 HD1 TRP 34 33.671 19.295 38.869
258 HE1 TRP 34 HE1 TRP 34 34.621 17.115 37.896
259 HE3 TRP 34 HE3 TRP 34 38.282 20.961 37.477
260 HZ2 TRP 34 HZ2 TRP 34 37.017 16.245 36.549
261 HZ3 TRP 34 HZ3 TRP 34 39.900 19.443 36.361
262 HH2 TRP 34 HH2 TRP 34 39.273 17.088 35.877
263 H GLU 35 HN GLU 35 37.757 23.066 36.274
264 HA GLU 35 HA GLU 35 38.922 25.323 37.595
265 HB2 GLU 35 HB1 GLU 35 40.574 24.347 38.905
266 HB3 GLU 35 HB2 GLU 35 39.254 23.246 39.200
267 HG2 GLU 35 HG1 GLU 35 40.232 21.743 37.358
268 HG3 GLU 35 HG2 GLU 35 41.599 22.835 37.302
269 HA PRO 36 HA PRO 36 40.925 25.320 33.663
270 HB2 PRO 36 HB1 PRO 36 43.574 26.007 33.974
271 HB3 PRO 36 HB2 PRO 36 42.194 27.135 34.142
272 HG2 PRO 36 HG1 PRO 36 43.683 25.667 36.333
273 HG3 PRO 36 HG2 PRO 36 43.202 27.391 36.282
274 HD2 PRO 36 HD1 PRO 36 41.758 25.540 37.624
275 HD3 PRO 36 HD2 PRO 36 40.945 26.870 36.748
276 HA PRO 37 HA PRO 37 42.785 21.130 33.429
277 HB2 PRO 37 HB1 PRO 37 42.061 20.513 30.883
278 HB3 PRO 37 HB2 PRO 37 40.860 20.607 32.190
279 HG2 PRO 37 HG1 PRO 37 41.534 22.707 30.123
280 HG3 PRO 37 HG2 PRO 37 39.923 22.144 30.669
281 HD2 PRO 37 HD1 PRO 37 41.161 24.412 31.637
282 HD3 PRO 37 HD2 PRO 37 39.987 23.442 32.572
283 H ALA 38 HN ALA 38 44.373 20.065 31.819
284 HA ALA 38 HA ALA 38 46.636 21.666 31.315
285 HB1 ALA 38 HB1 ALA 38 45.837 19.037 29.997
286 HB2 ALA 38 HB2 ALA 38 47.471 19.718 30.087
287 HB3 ALA 38 HB3 ALA 38 46.647 19.211 31.572
288 H ASP 39 HN ASP 39 44.132 20.702 28.960
289 HA ASP 39 HA ASP 39 45.470 21.526 26.655
290 HB2 ASP 39 HB1 ASP 39 43.514 19.929 27.018
291 HB3 ASP 39 HB2 ASP 39 42.455 21.336 27.044
292 H THR 40 HN THR 40 44.132 23.681 28.863
293 HA THR 40 HA THR 40 42.693 25.448 27.120
294 HB THR 40 HB THR 40 42.187 24.860 29.493
295 HG1 THR 40 HG1 THR 40 41.633 26.956 28.206
296 HG21 THR 40 1HG2 THR 40 44.118 27.089 30.240
297 HG22 THR 40 2HG2 THR 40 43.189 26.011 31.309
298 HG23 THR 40 3HG2 THR 40 44.558 25.380 30.367
299 H ASP 41 HN ASP 41 42.915 27.868 27.229
300 HA ASP 41 HA ASP 41 45.573 28.481 26.049
301 HB2 ASP 41 HB1 ASP 41 43.384 28.157 24.613
302 HB3 ASP 41 HB2 ASP 41 42.903 29.693 25.251
303 H MET 42 HN MET 42 45.507 29.048 28.665
304 HA MET 42 HA MET 42 44.955 31.380 29.802
305 HB2 MET 42 HB1 MET 42 47.756 30.270 29.524
306 HB3 MET 42 HB2 MET 42 47.247 31.516 30.677
307 HG2 MET 42 HG1 MET 42 45.326 29.787 31.282
308 HG3 MET 42 HG2 MET 42 46.424 28.613 30.545
309 HE1 MET 42 HE1 MET 42 45.271 28.348 33.359
310 HE2 MET 42 HE2 MET 42 46.442 27.200 32.653
311 HE3 MET 42 HE3 MET 42 46.695 27.847 34.283
312 H GLU 43 HN GLU 43 47.141 31.363 26.974
313 HA GLU 43 HA GLU 43 47.812 34.022 26.583
314 HB2 GLU 43 HB1 GLU 43 48.448 32.273 25.057
315 HB3 GLU 43 HB2 GLU 43 46.770 31.862 24.712
316 HG2 GLU 43 HG1 GLU 43 46.451 33.958 23.479
317 HG3 GLU 43 HG2 GLU 43 48.081 34.489 23.920
318 H THR 44 HN THR 44 44.689 32.590 25.578
319 HA THR 44 HA THR 44 43.325 35.171 25.111
320 HB THR 44 HB THR 44 42.366 32.254 25.169
321 HG1 THR 44 HG1 THR 44 43.512 32.327 23.447
322 HG21 THR 44 1HG2 THR 44 40.992 34.790 24.130
323 HG22 THR 44 2HG2 THR 44 40.427 33.125 23.853
324 HG23 THR 44 3HG2 THR 44 40.444 33.790 25.490
325 H LEU 45 HN LEU 45 43.810 32.900 27.750
326 HA LEU 45 HA LEU 45 41.158 33.386 28.859
327 HB2 LEU 45 HB1 LEU 45 43.079 31.317 28.982
328 HB3 LEU 45 HB2 LEU 45 43.072 31.990 30.608
329 HG LEU 45 HG LEU 45 41.060 30.412 29.088
330 HD11 LEU 45 1HD1 LEU 45 42.014 30.312 31.955
331 HD12 LEU 45 2HD1 LEU 45 40.968 29.133 31.138
332 HD13 LEU 45 3HD1 LEU 45 42.640 29.347 30.603
333 HD21 LEU 45 3HD2 LEU 45 40.339 32.276 31.276
334 HD22 LEU 45 1HD2 LEU 45 39.597 32.181 29.662
335 HD23 LEU 45 2HD2 LEU 45 39.352 30.854 30.802
336 H LYS 46 HN LYS 46 44.331 34.841 29.413
337 HA LYS 46 HA LYS 46 43.616 35.706 32.060
338 HB2 LYS 46 HB1 LYS 46 45.737 36.484 30.066
339 HB3 LYS 46 HB2 LYS 46 45.303 37.681 31.273
340 HG2 LYS 46 HG1 LYS 46 47.152 36.548 32.118
341 HG3 LYS 46 HG2 LYS 46 45.776 36.092 33.108
342 HD2 LYS 46 HD1 LYS 46 46.724 34.337 30.821
343 HD3 LYS 46 HD2 LYS 46 47.582 34.323 32.341
344 HE2 LYS 46 HE1 LYS 46 44.584 33.761 32.217
345 HE3 LYS 46 HE2 LYS 46 45.798 32.509 32.006
346 HZ1 LYS 46 HZ1 LYS 46 45.570 34.185 34.453
347 HZ2 LYS 46 HZ2 LYS 46 45.143 32.614 34.296
348 HZ3 LYS 46 HZ3 LYS 46 46.716 33.045 34.180
349 H MET 47 HN MET 47 42.684 36.960 28.902
350 HA MET 47 HA MET 47 41.393 39.397 29.764
351 HB2 MET 47 HB1 MET 47 40.752 37.492 27.469
352 HB3 MET 47 HB2 MET 47 40.032 39.077 27.678
353 HG2 MET 47 HG1 MET 47 43.013 38.587 27.315
354 HG3 MET 47 HG2 MET 47 41.909 39.026 26.031
355 HE1 MET 47 HE1 MET 47 41.066 41.281 25.467
356 HE2 MET 47 HE2 MET 47 40.039 41.263 26.922
357 HE3 MET 47 HE3 MET 47 41.036 42.682 26.548
358 H TYR 48 HN TYR 48 40.681 36.219 30.651
359 HA TYR 48 HA TYR 48 37.836 36.835 31.358
360 HB2 TYR 48 HB1 TYR 48 38.249 35.022 29.714
361 HB3 TYR 48 HB2 TYR 48 39.299 34.206 30.804
362 HD1 TYR 48 HD2 TYR 48 35.784 35.600 30.815
363 HD2 TYR 48 HD1 TYR 48 38.432 32.390 31.966
364 HE1 TYR 48 HE2 TYR 48 33.859 34.301 31.675
365 HE2 TYR 48 HE1 TYR 48 36.519 31.060 32.688
366 HH TYR 48 HH TYR 48 34.270 31.068 33.174
367 H MET 49 HN MET 49 40.562 34.814 32.462
368 HA MET 49 HA MET 49 39.711 34.649 35.201
369 HB2 MET 49 HB1 MET 49 42.265 33.914 33.709
370 HB3 MET 49 HB2 MET 49 42.035 33.576 35.423
371 HG2 MET 49 HG1 MET 49 39.703 32.695 33.891
372 HG3 MET 49 HG2 MET 49 41.180 32.041 33.190
373 HE1 MET 49 HE1 MET 49 39.851 31.323 37.568
374 HE2 MET 49 HE2 MET 49 40.690 32.798 37.078
375 HE3 MET 49 HE3 MET 49 39.062 32.457 36.452
376 H ALA 50 HN ALA 50 41.260 37.257 33.651
377 HA ALA 50 HA ALA 50 41.479 38.559 36.297
378 HB1 ALA 50 HB1 ALA 50 43.639 38.751 34.142
379 HB2 ALA 50 HB2 ALA 50 43.593 39.651 35.670
380 HB3 ALA 50 HB3 ALA 50 43.793 37.894 35.694
381 H THR 51 HN THR 51 39.260 38.795 35.051
382 HA THR 51 HA THR 51 38.971 40.433 32.746
383 HB THR 51 HB THR 51 37.050 39.743 34.982
384 HG1 THR 51 HG1 THR 51 37.523 38.118 33.553
385 HG21 THR 51 1HG2 THR 51 36.478 41.356 32.448
386 HG22 THR 51 2HG2 THR 51 35.248 40.596 33.484
387 HG23 THR 51 3HG2 THR 51 36.243 41.901 34.126
388 H TYR 52 HN TYR 52 39.119 42.494 32.355
389 HA TYR 52 HA TYR 52 40.196 44.242 34.351
390 HB2 TYR 52 HB1 TYR 52 40.678 44.203 31.836
391 HB3 TYR 52 HB2 TYR 52 39.176 45.105 31.627
392 HD1 TYR 52 HD1 TYR 52 42.613 45.133 32.985
393 HD2 TYR 52 HD2 TYR 52 39.016 47.461 32.460
394 HE1 TYR 52 HE1 TYR 52 43.796 47.146 33.813
395 HE2 TYR 52 HE2 TYR 52 40.195 49.470 33.329
396 HH TYR 52 HH TYR 52 43.623 49.346 34.380
397 H HIS 53 HN HIS 53 39.426 46.185 35.188
398 HA HIS 53 HA HIS 53 36.607 46.964 35.099
399 HB2 HIS 53 HB1 HIS 53 36.771 44.821 36.535
400 HB3 HIS 53 HB2 HIS 53 37.706 45.777 37.664
401 HD1 HIS 53 HD1 HIS 53 34.218 46.256 35.894
402 HD2 HIS 53 HD2 HIS 53 36.246 46.502 39.607
403 HE1 HIS 53 HE1 HIS 53 32.452 46.745 37.682
Start of MODEL 7
1 H SER 1 H SER 1 22.931 34.569 23.525
2 HA SER 1 HA SER 1 25.182 34.683 22.620
3 HB2 SER 1 HB1 SER 1 25.817 36.829 23.745
4 HB3 SER 1 HB2 SER 1 24.116 36.751 23.261
5 HG SER 1 HG SER 1 24.223 37.507 25.352
6 H MET 2 HN MET 2 27.380 35.772 24.292
7 HA MET 2 HA MET 2 28.275 33.629 26.017
8 HB2 MET 2 HB1 MET 2 29.912 32.655 24.509
9 HB3 MET 2 HB2 MET 2 28.303 32.398 23.883
10 HG2 MET 2 HG1 MET 2 30.247 34.541 22.930
11 HG3 MET 2 HG2 MET 2 30.015 32.989 22.157
12 HE1 MET 2 HE1 MET 2 27.025 32.410 21.887
13 HE2 MET 2 HE2 MET 2 26.658 33.222 20.348
14 HE3 MET 2 HE3 MET 2 28.188 32.354 20.538
15 H VAL 3 HN VAL 3 30.529 33.777 26.606
16 HA VAL 3 HA VAL 3 31.855 36.411 26.046
17 HB VAL 3 HB VAL 3 32.459 34.725 28.503
18 HG11 VAL 3 1HG1 VAL 3 32.877 37.673 27.820
19 HG12 VAL 3 2HG1 VAL 3 33.316 36.902 29.358
20 HG13 VAL 3 3HG1 VAL 3 34.122 36.406 27.866
21 HG21 VAL 3 3HG2 VAL 3 30.416 37.003 28.335
22 HG22 VAL 3 1HG2 VAL 3 30.074 35.312 28.772
23 HG23 VAL 3 2HG2 VAL 3 31.052 36.313 29.845
24 H ASN 4 HN ASN 4 33.998 36.271 25.330
25 HA ASN 4 HA ASN 4 34.931 33.712 24.331
26 HB2 ASN 4 HB1 ASN 4 36.332 36.400 24.559
27 HB3 ASN 4 HB2 ASN 4 36.967 34.991 23.741
28 HD21 ASN 4 2HD2 ASN 4 36.540 37.455 22.377
29 HD22 ASN 4 1HD2 ASN 4 35.275 37.173 21.193
30 H THR 5 HN THR 5 36.173 32.245 25.224
31 HA THR 5 HA THR 5 37.622 32.644 27.864
32 HB THR 5 HB THR 5 36.940 30.343 28.387
33 HG1 THR 5 HG1 THR 5 36.159 30.131 26.035
34 HG21 THR 5 1HG2 THR 5 34.671 32.354 28.125
35 HG22 THR 5 2HG2 THR 5 34.668 30.909 29.162
36 HG23 THR 5 3HG2 THR 5 35.861 32.187 29.434
37 H GLY 6 HN GLY 6 39.674 32.043 27.579
38 HA2 GLY 6 HA1 GLY 6 40.612 30.091 25.665
39 HA3 GLY 6 HA2 GLY 6 41.481 30.674 27.066
40 H LEU 7 HN LEU 7 38.292 28.984 26.956
41 HA LEU 7 HA LEU 7 39.332 27.016 28.887
42 HB2 LEU 7 HB1 LEU 7 36.607 27.945 28.127
43 HB3 LEU 7 HB2 LEU 7 36.755 26.306 28.726
44 HG LEU 7 HG LEU 7 37.898 28.695 30.231
45 HD11 LEU 7 1HD1 LEU 7 35.244 27.288 30.756
46 HD12 LEU 7 2HD1 LEU 7 35.922 28.667 31.641
47 HD13 LEU 7 3HD1 LEU 7 35.400 28.867 29.960
48 HD21 LEU 7 3HD2 LEU 7 37.244 25.854 31.160
49 HD22 LEU 7 1HD2 LEU 7 38.874 26.507 30.918
50 HD23 LEU 7 2HD2 LEU 7 37.843 27.171 32.184
51 HA PRO 8 HA PRO 8 39.496 23.941 25.566
52 HB2 PRO 8 HB1 PRO 8 39.217 21.569 26.699
53 HB3 PRO 8 HB2 PRO 8 40.474 22.663 27.285
54 HG2 PRO 8 HG1 PRO 8 37.671 22.366 28.452
55 HG3 PRO 8 HG2 PRO 8 39.236 22.111 29.276
56 HD2 PRO 8 HD1 PRO 8 37.962 24.517 29.357
57 HD3 PRO 8 HD2 PRO 8 39.722 24.417 29.247
58 H ALA 9 HN ALA 9 37.592 21.519 25.536
59 HA ALA 9 HA ALA 9 35.320 22.840 24.261
60 HB1 ALA 9 HB1 ALA 9 35.661 19.920 25.048
61 HB2 ALA 9 HB2 ALA 9 34.486 20.584 23.906
62 HB3 ALA 9 HB3 ALA 9 36.216 20.638 23.512
63 H GLY 10 HN GLY 10 36.007 21.854 27.499
64 HA2 GLY 10 HA1 GLY 10 33.255 22.041 28.515
65 HA3 GLY 10 HA2 GLY 10 34.743 21.845 29.474
66 H TRP 11 HN TRP 11 33.138 24.184 27.326
67 HA TRP 11 HA TRP 11 34.137 26.424 29.045
68 HB2 TRP 11 HB1 TRP 11 34.457 27.713 27.156
69 HB3 TRP 11 HB2 TRP 11 35.063 26.139 26.695
70 HD1 TRP 11 HD1 TRP 11 33.287 24.719 25.024
71 HE1 TRP 11 HE1 TRP 11 31.582 25.530 23.287
72 HE3 TRP 11 HE3 TRP 11 32.990 29.629 26.434
73 HZ2 TRP 11 HZ2 TRP 11 30.408 28.040 22.482
74 HZ3 TRP 11 HZ3 TRP 11 31.632 31.226 25.117
75 HH2 TRP 11 HH2 TRP 11 30.332 30.447 23.136
76 H GLU 12 HN GLU 12 31.109 25.035 28.155
77 HA GLU 12 HA GLU 12 29.615 27.537 27.938
78 HB2 GLU 12 HB1 GLU 12 28.775 24.656 28.411
79 HB3 GLU 12 HB2 GLU 12 27.635 25.989 28.469
80 HG2 GLU 12 HG1 GLU 12 28.699 26.541 26.079
81 HG3 GLU 12 HG2 GLU 12 29.118 24.827 26.119
82 H VAL 13 HN VAL 13 29.318 28.942 29.633
83 HA VAL 13 HA VAL 13 29.773 28.049 32.376
84 HB VAL 13 HB VAL 13 28.439 30.666 31.639
85 HG11 VAL 13 1HG1 VAL 13 29.508 31.453 33.735
86 HG12 VAL 13 2HG1 VAL 13 28.420 30.101 34.049
87 HG13 VAL 13 3HG1 VAL 13 30.179 29.831 34.001
88 HG21 VAL 13 3HG2 VAL 13 31.428 30.084 31.717
89 HG22 VAL 13 1HG2 VAL 13 30.486 30.603 30.310
90 HG23 VAL 13 2HG2 VAL 13 30.699 31.701 31.671
91 H ARG 14 HN ARG 14 28.366 27.360 33.835
92 HA ARG 14 HA ARG 14 25.432 27.562 33.339
93 HB2 ARG 14 HB1 ARG 14 27.155 25.245 34.324
94 HB3 ARG 14 HB2 ARG 14 25.400 25.260 34.484
95 HG2 ARG 14 HG1 ARG 14 26.873 25.365 31.812
96 HG3 ARG 14 HG2 ARG 14 26.259 23.900 32.586
97 HD2 ARG 14 HD1 ARG 14 23.962 24.983 32.643
98 HD3 ARG 14 HD2 ARG 14 24.633 26.276 31.650
99 HE ARG 14 HE ARG 14 24.625 24.864 29.790
100 HH11 ARG 14 1HH1 ARG 14 23.984 22.857 32.652
101 HH12 ARG 14 2HH1 ARG 14 23.412 21.528 31.697
102 HH21 ARG 14 1HH2 ARG 14 23.925 23.177 28.645
103 HH22 ARG 14 2HH2 ARG 14 23.354 21.701 29.421
104 H HIS 15 HN HIS 15 24.314 28.427 34.976
105 HA HIS 15 HA HIS 15 25.294 28.741 37.701
106 HB2 HIS 15 HB1 HIS 15 22.891 29.232 38.169
107 HB3 HIS 15 HB2 HIS 15 23.588 30.227 36.897
108 HD1 HIS 15 HD1 HIS 15 22.718 29.802 34.353
109 HD2 HIS 15 HD2 HIS 15 20.910 27.524 37.445
110 HE1 HIS 15 HE1 HIS 15 20.683 28.638 33.346
111 H SER 16 HN SER 16 25.014 27.364 39.447
112 HA SER 16 HA SER 16 24.454 24.523 38.705
113 HB2 SER 16 HB1 SER 16 26.659 25.214 39.684
114 HB3 SER 16 HB2 SER 16 25.816 25.588 41.194
115 HG SER 16 HG SER 16 26.798 23.327 40.691
116 H ASN 17 HN ASN 17 23.101 23.152 39.882
117 HA ASN 17 HA ASN 17 21.002 24.259 41.585
118 HB2 ASN 17 HB1 ASN 17 20.705 22.221 40.221
119 HB3 ASN 17 HB2 ASN 17 21.953 21.398 41.153
120 HD21 ASN 17 2HD2 ASN 17 18.631 21.665 40.876
121 HD22 ASN 17 1HD2 ASN 17 18.216 21.276 42.549
122 H SER 18 HN SER 18 24.181 22.680 42.053
123 HA SER 18 HA SER 18 23.666 22.351 44.940
124 HB2 SER 18 HB1 SER 18 25.242 20.550 44.749
125 HB3 SER 18 HB2 SER 18 24.084 20.432 43.430
126 HG SER 18 HG SER 18 26.753 20.618 43.347
127 H LYS 19 HN LYS 19 25.433 24.651 43.199
128 HA LYS 19 HA LYS 19 27.443 24.964 45.391
129 HB2 LYS 19 HB1 LYS 19 28.388 23.648 43.549
130 HB3 LYS 19 HB2 LYS 19 27.957 24.907 42.383
131 HG2 LYS 19 HG1 LYS 19 29.476 26.480 43.407
132 HG3 LYS 19 HG2 LYS 19 29.812 25.385 44.742
133 HD2 LYS 19 HD1 LYS 19 30.518 24.875 41.822
134 HD3 LYS 19 HD2 LYS 19 31.628 25.524 43.028
135 HE2 LYS 19 HE1 LYS 19 30.385 22.745 43.002
136 HE3 LYS 19 HE2 LYS 19 32.073 23.176 42.713
137 HZ1 LYS 19 HZ1 LYS 19 30.612 23.260 45.270
138 HZ2 LYS 19 HZ2 LYS 19 32.044 22.509 44.922
139 HZ3 LYS 19 HZ3 LYS 19 31.968 24.135 45.085
140 H ASN 20 HN ASN 20 28.300 27.048 45.759
141 HA ASN 20 HA ASN 20 26.554 29.287 44.914
142 HB2 ASN 20 HB1 ASN 20 28.764 29.342 46.994
143 HB3 ASN 20 HB2 ASN 20 27.451 30.495 46.771
144 HD21 ASN 20 2HD2 ASN 20 25.107 29.345 46.969
145 HD22 ASN 20 1HD2 ASN 20 25.011 28.180 48.270
146 H LEU 21 HN LEU 21 27.945 28.443 42.818
147 HA LEU 21 HA LEU 21 29.668 30.539 41.882
148 HB2 LEU 21 HB1 LEU 21 31.157 29.045 43.465
149 HB3 LEU 21 HB2 LEU 21 30.923 27.785 42.267
150 HG LEU 21 HG LEU 21 32.031 29.281 40.565
151 HD11 LEU 21 1HD1 LEU 21 32.770 30.930 43.041
152 HD12 LEU 21 2HD1 LEU 21 33.378 31.177 41.391
153 HD13 LEU 21 3HD1 LEU 21 31.678 31.486 41.760
154 HD21 LEU 21 3HD2 LEU 21 33.642 28.546 43.025
155 HD22 LEU 21 1HD2 LEU 21 33.221 27.475 41.667
156 HD23 LEU 21 2HD2 LEU 21 34.286 28.863 41.396
157 HA PRO 22 HA PRO 22 28.074 28.281 38.249
158 HB2 PRO 22 HB1 PRO 22 29.608 29.214 36.173
159 HB3 PRO 22 HB2 PRO 22 28.341 30.195 36.954
160 HG2 PRO 22 HG1 PRO 22 31.318 30.203 37.549
161 HG3 PRO 22 HG2 PRO 22 30.251 31.610 37.244
162 HD2 PRO 22 HD1 PRO 22 30.888 30.839 39.756
163 HD3 PRO 22 HD2 PRO 22 29.261 31.424 39.395
164 H TYR 23 HN TYR 23 28.822 26.723 36.643
165 HA TYR 23 HA TYR 23 31.589 25.699 36.943
166 HB2 TYR 23 HB1 TYR 23 30.977 23.458 37.017
167 HB3 TYR 23 HB2 TYR 23 29.913 24.208 38.188
168 HD1 TYR 23 HD1 TYR 23 27.446 24.539 37.589
169 HD2 TYR 23 HD2 TYR 23 30.174 22.431 35.030
170 HE1 TYR 23 HE1 TYR 23 25.513 23.541 36.352
171 HE2 TYR 23 HE2 TYR 23 28.258 21.390 33.824
172 HH TYR 23 HH TYR 23 24.871 22.191 34.591
173 H TYR 24 HN TYR 24 32.308 24.529 34.944
174 HA TYR 24 HA TYR 24 31.032 25.762 32.539
175 HB2 TYR 24 HB1 TYR 24 33.822 24.622 32.794
176 HB3 TYR 24 HB2 TYR 24 33.166 25.607 31.492
177 HD1 TYR 24 HD2 TYR 24 32.120 27.961 32.379
178 HD2 TYR 24 HD1 TYR 24 35.226 25.722 34.338
179 HE1 TYR 24 HE2 TYR 24 32.841 30.017 33.582
180 HE2 TYR 24 HE1 TYR 24 35.981 27.782 35.516
181 HH TYR 24 HH TYR 24 35.590 30.034 35.888
182 H PHE 25 HN PHE 25 30.301 24.465 30.870
183 HA PHE 25 HA PHE 25 30.251 21.501 31.297
184 HB2 PHE 25 HB1 PHE 25 28.147 22.728 31.650
185 HB3 PHE 25 HB2 PHE 25 28.248 23.430 30.071
186 HD1 PHE 25 HD2 PHE 25 27.830 20.190 31.878
187 HD2 PHE 25 HD1 PHE 25 27.410 22.278 28.126
188 HE1 PHE 25 HE2 PHE 25 26.513 18.298 30.971
189 HE2 PHE 25 HE1 PHE 25 26.080 20.391 27.238
190 HZ PHE 25 HZ PHE 25 25.635 18.394 28.640
191 H ASN 26 HN ASN 26 30.621 20.103 29.625
192 HA ASN 26 HA ASN 26 31.644 21.198 27.057
193 HB2 ASN 26 HB1 ASN 26 33.158 19.671 28.235
194 HB3 ASN 26 HB2 ASN 26 31.930 18.409 28.209
195 HD21 ASN 26 2HD2 ASN 26 34.264 17.637 27.051
196 HD22 ASN 26 1HD2 ASN 26 34.175 17.755 25.301
197 HA PRO 27 HA PRO 27 27.544 19.768 25.632
198 HB2 PRO 27 HB1 PRO 27 27.436 21.138 23.272
199 HB3 PRO 27 HB2 PRO 27 27.183 21.908 24.859
200 HG2 PRO 27 HG1 PRO 27 29.722 21.848 23.223
201 HG3 PRO 27 HG2 PRO 27 28.943 23.263 24.003
202 HD2 PRO 27 HD1 PRO 27 31.003 21.881 25.148
203 HD3 PRO 27 HD2 PRO 27 29.699 22.610 26.133
204 H ALA 28 HN ALA 28 30.680 19.548 23.929
205 HA ALA 28 HA ALA 28 29.607 17.901 21.798
206 HB1 ALA 28 HB1 ALA 28 32.476 18.575 22.617
207 HB2 ALA 28 HB2 ALA 28 31.982 17.813 21.094
208 HB3 ALA 28 HB3 ALA 28 31.477 19.477 21.453
209 H THR 29 HN THR 29 31.175 17.305 24.892
210 HA THR 29 HA THR 29 30.483 14.422 24.705
211 HB THR 29 HB THR 29 33.231 15.260 25.709
212 HG1 THR 29 HG1 THR 29 33.724 15.408 23.723
213 HG21 THR 29 1HG2 THR 29 31.992 12.567 24.962
214 HG22 THR 29 2HG2 THR 29 33.668 12.827 25.483
215 HG23 THR 29 3HG2 THR 29 32.338 13.133 26.611
216 H ARG 30 HN ARG 30 28.804 14.935 26.035
217 HA ARG 30 HA ARG 30 28.278 16.493 28.037
218 HB2 ARG 30 HB1 ARG 30 26.832 14.680 27.113
219 HB3 ARG 30 HB2 ARG 30 27.654 13.519 28.155
220 HG2 ARG 30 HG1 ARG 30 26.867 14.893 30.156
221 HG3 ARG 30 HG2 ARG 30 25.927 15.879 29.018
222 HD2 ARG 30 HD1 ARG 30 24.741 13.791 28.272
223 HD3 ARG 30 HD2 ARG 30 25.670 12.872 29.466
224 HE ARG 30 HE ARG 30 24.405 15.023 30.813
225 HH11 ARG 30 1HH1 ARG 30 23.324 12.056 29.176
226 HH12 ARG 30 2HH1 ARG 30 22.038 11.809 30.322
227 HH21 ARG 30 1HH2 ARG 30 22.644 14.787 32.042
228 HH22 ARG 30 2HH2 ARG 30 21.526 13.473 31.816
229 H GLU 31 HN GLU 31 29.635 17.244 29.504
230 HA GLU 31 HA GLU 31 30.449 15.809 31.891
231 HB2 GLU 31 HB1 GLU 31 32.053 14.868 30.280
232 HB3 GLU 31 HB2 GLU 31 32.472 16.495 29.752
233 HG2 GLU 31 HG1 GLU 31 34.187 15.480 31.093
234 HG3 GLU 31 HG2 GLU 31 33.607 16.960 31.809
235 H SER 32 HN SER 32 31.855 17.288 33.255
236 HA SER 32 HA SER 32 31.402 20.179 32.689
237 HB2 SER 32 HB1 SER 32 31.087 20.506 35.120
238 HB3 SER 32 HB2 SER 32 29.801 19.581 34.344
239 HG SER 32 HG SER 32 30.582 18.851 36.431
240 H ARG 33 HN ARG 33 32.791 21.584 34.140
241 HA ARG 33 HA ARG 33 35.419 20.579 34.884
242 HB2 ARG 33 HB1 ARG 33 35.259 21.131 32.284
243 HB3 ARG 33 HB2 ARG 33 35.273 22.796 32.825
244 HG2 ARG 33 HG1 ARG 33 37.496 22.154 32.268
245 HG3 ARG 33 HG2 ARG 33 37.413 22.374 34.023
246 HD2 ARG 33 HD1 ARG 33 38.666 20.301 32.832
247 HD3 ARG 33 HD2 ARG 33 38.015 20.250 34.482
248 HE ARG 33 HE ARG 33 35.886 19.359 33.135
249 HH11 ARG 33 1HH1 ARG 33 39.250 18.134 33.030
250 HH12 ARG 33 2HH1 ARG 33 38.688 16.572 32.508
251 HH21 ARG 33 1HH2 ARG 33 35.313 17.429 32.734
252 HH22 ARG 33 2HH2 ARG 33 36.447 16.131 32.389
253 H TRP 34 HN TRP 34 36.382 21.893 36.324
254 HA TRP 34 HA TRP 34 34.519 23.834 37.627
255 HB2 TRP 34 HB1 TRP 34 36.173 21.920 39.213
256 HB3 TRP 34 HB2 TRP 34 34.513 22.429 39.437
257 HD1 TRP 34 HD1 TRP 34 32.640 20.885 38.319
258 HE1 TRP 34 HE1 TRP 34 32.657 18.644 37.069
259 HE3 TRP 34 HE3 TRP 34 37.664 20.474 37.473
260 HZ2 TRP 34 HZ2 TRP 34 34.629 16.866 35.898
261 HZ3 TRP 34 HZ3 TRP 34 38.587 18.505 36.294
262 HH2 TRP 34 HH2 TRP 34 37.085 16.669 35.546
263 H GLU 35 HN GLU 35 37.851 23.145 36.966
264 HA GLU 35 HA GLU 35 38.739 25.753 37.958
265 HB2 GLU 35 HB1 GLU 35 40.168 23.126 38.554
266 HB3 GLU 35 HB2 GLU 35 40.835 24.742 38.819
267 HG2 GLU 35 HG1 GLU 35 39.085 25.181 40.520
268 HG3 GLU 35 HG2 GLU 35 38.463 23.541 40.285
269 HA PRO 36 HA PRO 36 40.564 25.809 33.938
270 HB2 PRO 36 HB1 PRO 36 43.141 26.667 35.266
271 HB3 PRO 36 HB2 PRO 36 42.341 27.330 33.803
272 HG2 PRO 36 HG1 PRO 36 42.039 28.571 36.176
273 HG3 PRO 36 HG2 PRO 36 40.613 28.332 35.115
274 HD2 PRO 36 HD1 PRO 36 41.457 26.728 37.537
275 HD3 PRO 36 HD2 PRO 36 39.832 27.309 37.067
276 HA PRO 37 HA PRO 37 42.567 21.727 34.124
277 HB2 PRO 37 HB1 PRO 37 41.847 20.765 31.676
278 HB3 PRO 37 HB2 PRO 37 40.710 20.936 33.045
279 HG2 PRO 37 HG1 PRO 37 41.112 22.790 30.706
280 HG3 PRO 37 HG2 PRO 37 39.580 22.192 31.416
281 HD2 PRO 37 HD1 PRO 37 40.638 24.651 32.041
282 HD3 PRO 37 HD2 PRO 37 39.668 23.686 33.185
283 H ALA 38 HN ALA 38 44.185 20.486 32.744
284 HA ALA 38 HA ALA 38 46.425 22.130 32.085
285 HB1 ALA 38 HB1 ALA 38 45.813 19.234 31.326
286 HB2 ALA 38 HB2 ALA 38 47.412 20.006 31.288
287 HB3 ALA 38 HB3 ALA 38 46.579 19.781 32.837
288 H ASP 39 HN ASP 39 43.955 20.700 30.053
289 HA ASP 39 HA ASP 39 45.132 21.299 27.497
290 HB2 ASP 39 HB1 ASP 39 43.673 19.355 28.146
291 HB3 ASP 39 HB2 ASP 39 42.313 20.467 28.305
292 H THR 40 HN THR 40 43.821 23.451 29.591
293 HA THR 40 HA THR 40 42.147 25.073 27.819
294 HB THR 40 HB THR 40 42.135 24.637 30.408
295 HG1 THR 40 HG1 THR 40 41.505 27.050 29.119
296 HG21 THR 40 1HG2 THR 40 43.541 27.324 30.405
297 HG22 THR 40 2HG2 THR 40 43.032 26.325 31.782
298 HG23 THR 40 3HG2 THR 40 44.400 25.807 30.776
299 H ASP 41 HN ASP 41 42.836 27.685 27.878
300 HA ASP 41 HA ASP 41 45.332 27.474 26.222
301 HB2 ASP 41 HB1 ASP 41 43.146 28.132 25.177
302 HB3 ASP 41 HB2 ASP 41 43.095 29.525 26.268
303 H MET 42 HN MET 42 43.835 29.238 28.761
304 HA MET 42 HA MET 42 44.323 30.859 30.171
305 HB2 MET 42 HB1 MET 42 47.103 29.744 29.962
306 HB3 MET 42 HB2 MET 42 46.576 30.983 31.119
307 HG2 MET 42 HG1 MET 42 44.612 29.368 31.681
308 HG3 MET 42 HG2 MET 42 45.607 28.150 30.867
309 HE1 MET 42 HE1 MET 42 45.994 26.499 32.698
310 HE2 MET 42 HE2 MET 42 46.233 26.936 34.401
311 HE3 MET 42 HE3 MET 42 44.735 27.402 33.567
312 H GLU 43 HN GLU 43 46.538 31.332 27.344
313 HA GLU 43 HA GLU 43 46.941 34.095 27.817
314 HB2 GLU 43 HB1 GLU 43 48.172 32.739 26.170
315 HB3 GLU 43 HB2 GLU 43 46.738 32.680 25.130
316 HG2 GLU 43 HG1 GLU 43 46.796 35.149 24.892
317 HG3 GLU 43 HG2 GLU 43 48.193 35.227 25.974
318 H THR 44 HN THR 44 44.459 32.605 25.703
319 HA THR 44 HA THR 44 42.771 34.944 25.344
320 HB THR 44 HB THR 44 41.852 32.054 25.406
321 HG1 THR 44 HG1 THR 44 43.646 32.011 24.136
322 HG21 THR 44 1HG2 THR 44 40.985 34.464 23.723
323 HG22 THR 44 2HG2 THR 44 40.453 32.798 23.412
324 HG23 THR 44 3HG2 THR 44 39.998 33.595 24.912
325 H LEU 45 HN LEU 45 43.413 33.156 28.160
326 HA LEU 45 HA LEU 45 40.612 33.408 29.127
327 HB2 LEU 45 HB1 LEU 45 42.176 31.158 28.949
328 HB3 LEU 45 HB2 LEU 45 42.665 31.812 30.517
329 HG LEU 45 HG LEU 45 40.584 31.733 31.387
330 HD11 LEU 45 1HD1 LEU 45 39.140 30.359 29.204
331 HD12 LEU 45 2HD1 LEU 45 38.569 30.925 30.740
332 HD13 LEU 45 3HD1 LEU 45 39.008 32.110 29.514
333 HD21 LEU 45 3HD2 LEU 45 40.249 29.322 31.596
334 HD22 LEU 45 1HD2 LEU 45 41.309 29.072 30.200
335 HD23 LEU 45 2HD2 LEU 45 41.944 29.823 31.664
336 H LYS 46 HN LYS 46 43.940 34.535 29.769
337 HA LYS 46 HA LYS 46 43.283 35.721 32.308
338 HB2 LYS 46 HB1 LYS 46 45.449 36.067 30.237
339 HB3 LYS 46 HB2 LYS 46 45.116 37.457 31.253
340 HG2 LYS 46 HG1 LYS 46 46.842 36.397 32.328
341 HG3 LYS 46 HG2 LYS 46 45.432 36.030 33.299
342 HD2 LYS 46 HD1 LYS 46 46.635 34.138 31.240
343 HD3 LYS 46 HD2 LYS 46 47.166 34.178 32.908
344 HE2 LYS 46 HE1 LYS 46 44.270 33.611 32.178
345 HE3 LYS 46 HE2 LYS 46 45.502 32.359 32.218
346 HZ1 LYS 46 HZ1 LYS 46 44.354 32.454 34.297
347 HZ2 LYS 46 HZ2 LYS 46 45.903 32.812 34.539
348 HZ3 LYS 46 HZ3 LYS 46 44.792 34.029 34.566
349 H MET 47 HN MET 47 42.899 36.868 28.974
350 HA MET 47 HA MET 47 41.414 39.252 29.631
351 HB2 MET 47 HB1 MET 47 40.925 39.345 27.252
352 HB3 MET 47 HB2 MET 47 42.626 39.012 27.533
353 HG2 MET 47 HG1 MET 47 42.250 36.616 27.079
354 HG3 MET 47 HG2 MET 47 40.533 36.940 26.816
355 HE1 MET 47 HE1 MET 47 44.034 38.031 24.024
356 HE2 MET 47 HE2 MET 47 43.914 38.673 25.671
357 HE3 MET 47 HE3 MET 47 44.113 36.929 25.409
358 H TYR 48 HN TYR 48 40.486 36.517 30.739
359 HA TYR 48 HA TYR 48 37.592 37.195 30.586
360 HB2 TYR 48 HB1 TYR 48 37.885 35.330 29.065
361 HB3 TYR 48 HB2 TYR 48 38.921 34.481 30.178
362 HD1 TYR 48 HD2 TYR 48 35.397 35.709 29.827
363 HD2 TYR 48 HD1 TYR 48 38.100 32.937 31.709
364 HE1 TYR 48 HE2 TYR 48 33.462 34.464 30.785
365 HE2 TYR 48 HE1 TYR 48 36.187 31.681 32.642
366 HH TYR 48 HH TYR 48 33.912 31.560 32.835
367 H MET 49 HN MET 49 40.235 35.584 32.310
368 HA MET 49 HA MET 49 38.841 35.485 34.874
369 HB2 MET 49 HB1 MET 49 41.613 34.628 33.914
370 HB3 MET 49 HB2 MET 49 40.987 34.330 35.538
371 HG2 MET 49 HG1 MET 49 39.977 33.253 32.902
372 HG3 MET 49 HG2 MET 49 40.740 32.350 34.196
373 HE1 MET 49 HE1 MET 49 39.283 33.429 36.753
374 HE2 MET 49 HE2 MET 49 37.989 32.232 36.906
375 HE3 MET 49 HE3 MET 49 39.622 31.711 36.427
376 H ALA 50 HN ALA 50 40.725 38.008 33.457
377 HA ALA 50 HA ALA 50 41.160 39.229 36.139
378 HB1 ALA 50 HB1 ALA 50 43.270 39.016 33.943
379 HB2 ALA 50 HB2 ALA 50 43.461 39.809 35.517
380 HB3 ALA 50 HB3 ALA 50 43.247 38.055 35.438
381 H THR 51 HN THR 51 41.838 41.577 35.955
382 HA THR 51 HA THR 51 40.557 43.034 33.723
383 HB THR 51 HB THR 51 38.713 42.429 35.188
384 HG1 THR 51 HG1 THR 51 39.396 45.160 35.511
385 HG21 THR 51 1HG2 THR 51 40.083 44.027 37.401
386 HG22 THR 51 2HG2 THR 51 38.447 43.343 37.431
387 HG23 THR 51 3HG2 THR 51 39.847 42.265 37.395
388 H TYR 52 HN TYR 52 41.102 45.146 33.489
389 HA TYR 52 HA TYR 52 43.387 46.149 35.044
390 HB2 TYR 52 HB1 TYR 52 43.232 46.202 32.510
391 HB3 TYR 52 HB2 TYR 52 42.025 47.471 32.688
392 HD1 TYR 52 HD2 TYR 52 45.535 46.495 33.581
393 HD2 TYR 52 HD1 TYR 52 42.742 49.742 33.068
394 HE1 TYR 52 HE2 TYR 52 47.379 48.140 33.931
395 HE2 TYR 52 HE1 TYR 52 44.571 51.373 33.402
396 HH TYR 52 HH TYR 52 46.754 51.657 34.008
397 H HIS 53 HN HIS 53 43.426 48.411 35.745
398 HA HIS 53 HA HIS 53 41.034 49.775 36.603
399 HB2 HIS 53 HB1 HIS 53 41.398 49.422 39.044
400 HB3 HIS 53 HB2 HIS 53 40.885 47.974 38.197
401 HD1 HIS 53 HD1 HIS 53 42.579 45.874 38.224
402 HD2 HIS 53 HD2 HIS 53 44.009 49.502 39.871
403 HE1 HIS 53 HE1 HIS 53 44.832 45.353 39.325
Start of MODEL 8
1 H SER 1 H SER 1 25.131 38.015 24.499
2 HA SER 1 HA SER 1 26.228 38.666 22.570
3 HB2 SER 1 HB1 SER 1 26.515 41.084 23.341
4 HB3 SER 1 HB2 SER 1 28.018 40.528 24.121
5 HG SER 1 HG SER 1 28.580 41.085 22.065
6 H MET 2 HN MET 2 28.229 37.763 21.888
7 HA MET 2 HA MET 2 29.088 35.466 23.300
8 HB2 MET 2 HB1 MET 2 30.738 35.270 21.469
9 HB3 MET 2 HB2 MET 2 29.125 35.644 20.881
10 HG2 MET 2 HG1 MET 2 29.748 37.995 20.549
11 HG3 MET 2 HG2 MET 2 31.327 37.715 21.292
12 HE1 MET 2 HE1 MET 2 32.074 38.505 17.576
13 HE2 MET 2 HE2 MET 2 30.765 39.147 18.587
14 HE3 MET 2 HE3 MET 2 32.392 38.921 19.270
15 H VAL 3 HN VAL 3 31.349 34.822 23.749
16 HA VAL 3 HA VAL 3 33.166 36.975 24.728
17 HB VAL 3 HB VAL 3 33.705 35.642 26.762
18 HG11 VAL 3 1HG1 VAL 3 30.813 36.593 26.695
19 HG12 VAL 3 2HG1 VAL 3 31.858 36.443 28.121
20 HG13 VAL 3 3HG1 VAL 3 32.242 37.638 26.870
21 HG21 VAL 3 3HG2 VAL 3 31.151 34.078 26.157
22 HG22 VAL 3 1HG2 VAL 3 32.805 33.424 26.179
23 HG23 VAL 3 2HG2 VAL 3 32.071 34.019 27.669
24 H ASN 4 HN ASN 4 35.349 36.495 24.607
25 HA ASN 4 HA ASN 4 36.164 34.042 23.161
26 HB2 ASN 4 HB1 ASN 4 37.779 36.402 24.220
27 HB3 ASN 4 HB2 ASN 4 38.428 35.057 23.283
28 HD21 ASN 4 2HD2 ASN 4 37.860 34.870 20.983
29 HD22 ASN 4 1HD2 ASN 4 37.183 36.257 20.157
30 H THR 5 HN THR 5 37.273 32.317 24.132
31 HA THR 5 HA THR 5 38.310 32.578 26.950
32 HB THR 5 HB THR 5 37.559 30.455 27.613
33 HG1 THR 5 HG1 THR 5 35.676 30.332 25.515
34 HG21 THR 5 1HG2 THR 5 36.340 32.348 28.272
35 HG22 THR 5 2HG2 THR 5 35.208 32.203 26.903
36 HG23 THR 5 3HG2 THR 5 35.283 30.933 28.160
37 H GLY 6 HN GLY 6 40.165 31.707 27.157
38 HA2 GLY 6 HA1 GLY 6 41.316 29.756 25.347
39 HA3 GLY 6 HA2 GLY 6 41.955 30.241 26.909
40 H LEU 7 HN LEU 7 38.623 29.229 27.126
41 HA LEU 7 HA LEU 7 39.552 27.104 28.866
42 HB2 LEU 7 HB1 LEU 7 36.896 28.316 28.270
43 HB3 LEU 7 HB2 LEU 7 36.934 26.701 28.968
44 HG LEU 7 HG LEU 7 38.392 29.036 30.227
45 HD11 LEU 7 1HD1 LEU 7 35.641 27.955 30.951
46 HD12 LEU 7 2HD1 LEU 7 36.524 29.237 31.792
47 HD13 LEU 7 3HD1 LEU 7 35.957 29.503 30.136
48 HD21 LEU 7 3HD2 LEU 7 37.566 26.321 31.360
49 HD22 LEU 7 1HD2 LEU 7 39.225 26.816 30.971
50 HD23 LEU 7 2HD2 LEU 7 38.347 27.629 32.268
51 HA PRO 8 HA PRO 8 39.348 23.939 25.783
52 HB2 PRO 8 HB1 PRO 8 39.202 21.642 27.156
53 HB3 PRO 8 HB2 PRO 8 40.500 22.794 27.506
54 HG2 PRO 8 HG1 PRO 8 37.803 22.622 28.929
55 HG3 PRO 8 HG2 PRO 8 39.431 22.405 29.632
56 HD2 PRO 8 HD1 PRO 8 38.198 24.846 29.606
57 HD3 PRO 8 HD2 PRO 8 39.961 24.704 29.329
58 H ALA 9 HN ALA 9 37.632 21.491 25.985
59 HA ALA 9 HA ALA 9 35.349 22.519 24.640
60 HB1 ALA 9 HB1 ALA 9 35.764 19.767 25.891
61 HB2 ALA 9 HB2 ALA 9 34.642 20.187 24.586
62 HB3 ALA 9 HB3 ALA 9 36.394 20.267 24.312
63 H GLY 10 HN GLY 10 35.828 21.734 28.023
64 HA2 GLY 10 HA1 GLY 10 33.022 22.281 28.786
65 HA3 GLY 10 HA2 GLY 10 34.334 21.722 29.853
66 H TRP 11 HN TRP 11 33.295 24.469 27.884
67 HA TRP 11 HA TRP 11 34.705 26.337 29.717
68 HB2 TRP 11 HB1 TRP 11 34.714 27.876 27.888
69 HB3 TRP 11 HB2 TRP 11 35.291 26.323 27.314
70 HD1 TRP 11 HD1 TRP 11 33.782 25.054 25.526
71 HE1 TRP 11 HE1 TRP 11 32.027 25.896 23.858
72 HE3 TRP 11 HE3 TRP 11 32.724 29.574 27.698
73 HZ2 TRP 11 HZ2 TRP 11 30.394 28.262 23.493
74 HZ3 TRP 11 HZ3 TRP 11 31.104 31.128 26.628
75 HH2 TRP 11 HH2 TRP 11 29.945 30.487 24.532
76 H GLU 12 HN GLU 12 31.376 25.567 29.035
77 HA GLU 12 HA GLU 12 30.516 28.355 29.327
78 HB2 GLU 12 HB1 GLU 12 29.495 26.101 28.003
79 HB3 GLU 12 HB2 GLU 12 28.341 26.375 29.298
80 HG2 GLU 12 HG1 GLU 12 29.287 28.439 27.260
81 HG3 GLU 12 HG2 GLU 12 27.769 27.554 27.193
82 H VAL 13 HN VAL 13 30.203 29.305 31.322
83 HA VAL 13 HA VAL 13 30.183 27.706 33.685
84 HB VAL 13 HB VAL 13 31.023 29.993 33.595
85 HG11 VAL 13 1HG1 VAL 13 28.186 31.007 33.936
86 HG12 VAL 13 2HG1 VAL 13 29.697 31.925 33.772
87 HG13 VAL 13 3HG1 VAL 13 29.055 31.034 32.390
88 HG21 VAL 13 3HG2 VAL 13 29.004 29.533 35.816
89 HG22 VAL 13 1HG2 VAL 13 30.650 28.854 35.726
90 HG23 VAL 13 2HG2 VAL 13 30.417 30.606 35.867
91 H ARG 14 HN ARG 14 28.716 26.845 34.895
92 HA ARG 14 HA ARG 14 25.836 27.334 34.461
93 HB2 ARG 14 HB1 ARG 14 27.484 24.797 34.194
94 HB3 ARG 14 HB2 ARG 14 25.812 24.653 34.710
95 HG2 ARG 14 HG1 ARG 14 26.541 26.113 32.144
96 HG3 ARG 14 HG2 ARG 14 26.306 24.361 32.220
97 HD2 ARG 14 HD1 ARG 14 24.076 24.607 33.107
98 HD3 ARG 14 HD2 ARG 14 24.223 26.373 33.120
99 HE ARG 14 HE ARG 14 24.735 25.769 30.499
100 HH11 ARG 14 1HH1 ARG 14 21.961 24.952 32.590
101 HH12 ARG 14 2HH1 ARG 14 20.924 24.775 31.178
102 HH21 ARG 14 1HH2 ARG 14 23.328 25.342 28.831
103 HH22 ARG 14 2HH2 ARG 14 21.642 24.968 29.191
104 H HIS 15 HN HIS 15 24.474 26.413 36.128
105 HA HIS 15 HA HIS 15 25.729 25.804 38.745
106 HB2 HIS 15 HB1 HIS 15 25.087 28.348 38.212
107 HB3 HIS 15 HB2 HIS 15 23.476 27.800 38.656
108 HD1 HIS 15 HD1 HIS 15 24.155 25.983 41.201
109 HD2 HIS 15 HD2 HIS 15 25.942 29.700 40.186
110 HE1 HIS 15 HE1 HIS 15 25.046 27.016 43.352
111 H SER 16 HN SER 16 23.962 25.155 40.385
112 HA SER 16 HA SER 16 21.913 23.375 39.099
113 HB2 SER 16 HB1 SER 16 24.098 22.494 41.012
114 HB3 SER 16 HB2 SER 16 22.742 21.492 40.460
115 HG SER 16 HG SER 16 24.738 21.205 39.287
116 H ASN 17 HN ASN 17 20.637 22.149 40.878
117 HA ASN 17 HA ASN 17 19.404 24.220 42.445
118 HB2 ASN 17 HB1 ASN 17 17.615 22.715 42.716
119 HB3 ASN 17 HB2 ASN 17 18.204 22.487 41.078
120 HD21 ASN 17 2HD2 ASN 17 16.761 20.684 43.228
121 HD22 ASN 17 1HD2 ASN 17 17.740 19.232 43.210
122 H SER 18 HN SER 18 21.833 21.977 43.399
123 HA SER 18 HA SER 18 21.148 22.422 46.302
124 HB2 SER 18 HB1 SER 18 20.762 20.087 45.367
125 HB3 SER 18 HB2 SER 18 22.508 19.987 45.101
126 HG SER 18 HG SER 18 21.017 20.017 47.495
127 H LYS 19 HN LYS 19 23.815 22.151 43.923
128 HA LYS 19 HA LYS 19 26.013 22.734 45.618
129 HB2 LYS 19 HB1 LYS 19 25.900 21.956 43.172
130 HB3 LYS 19 HB2 LYS 19 25.611 23.647 42.744
131 HG2 LYS 19 HG1 LYS 19 27.814 24.252 43.682
132 HG3 LYS 19 HG2 LYS 19 28.090 22.574 44.165
133 HD2 LYS 19 HD1 LYS 19 28.012 21.851 41.794
134 HD3 LYS 19 HD2 LYS 19 27.570 23.490 41.308
135 HE2 LYS 19 HE1 LYS 19 29.859 23.353 40.800
136 HE3 LYS 19 HE2 LYS 19 29.775 24.297 42.284
137 HZ1 LYS 19 HZ1 LYS 19 30.508 21.423 42.046
138 HZ2 LYS 19 HZ2 LYS 19 31.510 22.644 42.431
139 HZ3 LYS 19 HZ3 LYS 19 30.355 22.217 43.492
140 H ASN 20 HN ASN 20 27.189 24.767 45.973
141 HA ASN 20 HA ASN 20 25.461 27.223 45.920
142 HB2 ASN 20 HB1 ASN 20 27.807 26.444 47.695
143 HB3 ASN 20 HB2 ASN 20 27.070 28.049 47.666
144 HD21 ASN 20 2HD2 ASN 20 24.683 28.207 48.200
145 HD22 ASN 20 1HD2 ASN 20 23.962 26.921 49.152
146 H LEU 21 HN LEU 21 28.548 25.915 44.800
147 HA LEU 21 HA LEU 21 29.353 28.518 43.588
148 HB2 LEU 21 HB1 LEU 21 30.718 25.900 44.244
149 HB3 LEU 21 HB2 LEU 21 31.291 26.774 42.839
150 HG LEU 21 HG LEU 21 31.715 28.792 44.181
151 HD11 LEU 21 1HD1 LEU 21 30.922 27.041 46.550
152 HD12 LEU 21 2HD1 LEU 21 31.768 28.601 46.665
153 HD13 LEU 21 3HD1 LEU 21 30.123 28.537 46.023
154 HD21 LEU 21 3HD2 LEU 21 33.038 26.261 45.260
155 HD22 LEU 21 1HD2 LEU 21 33.476 27.100 43.756
156 HD23 LEU 21 2HD2 LEU 21 33.706 27.908 45.313
157 HA PRO 22 HA PRO 22 28.283 26.969 39.469
158 HB2 PRO 22 HB1 PRO 22 29.842 28.474 37.839
159 HB3 PRO 22 HB2 PRO 22 28.538 29.208 38.813
160 HG2 PRO 22 HG1 PRO 22 31.499 29.047 39.491
161 HG3 PRO 22 HG2 PRO 22 30.438 30.491 39.524
162 HD2 PRO 22 HD1 PRO 22 30.989 28.993 41.759
163 HD3 PRO 22 HD2 PRO 22 29.415 29.810 41.522
164 H TYR 23 HN TYR 23 29.355 26.098 37.517
165 HA TYR 23 HA TYR 23 32.101 25.041 37.670
166 HB2 TYR 23 HB1 TYR 23 31.329 22.766 37.011
167 HB3 TYR 23 HB2 TYR 23 30.845 23.199 38.642
168 HD1 TYR 23 HD1 TYR 23 28.504 23.763 39.167
169 HD2 TYR 23 HD2 TYR 23 29.619 22.476 35.215
170 HE1 TYR 23 HE1 TYR 23 26.130 23.331 38.656
171 HE2 TYR 23 HE2 TYR 23 27.206 22.084 34.674
172 HH TYR 23 HH TYR 23 24.638 22.461 37.139
173 H TYR 24 HN TYR 24 32.906 24.468 35.516
174 HA TYR 24 HA TYR 24 31.413 25.807 33.325
175 HB2 TYR 24 HB1 TYR 24 34.194 24.617 33.286
176 HB3 TYR 24 HB2 TYR 24 33.447 25.635 32.063
177 HD1 TYR 24 HD2 TYR 24 32.699 28.033 32.796
178 HD2 TYR 24 HD1 TYR 24 35.498 25.617 35.009
179 HE1 TYR 24 HE2 TYR 24 33.502 30.061 33.995
180 HE2 TYR 24 HE1 TYR 24 36.314 27.647 36.202
181 HH TYR 24 HH TYR 24 36.112 29.927 36.463
182 H PHE 25 HN PHE 25 30.586 24.755 31.600
183 HA PHE 25 HA PHE 25 30.362 21.775 31.721
184 HB2 PHE 25 HB1 PHE 25 28.397 23.108 32.449
185 HB3 PHE 25 HB2 PHE 25 28.382 23.935 30.900
186 HD1 PHE 25 HD2 PHE 25 27.947 20.603 32.538
187 HD2 PHE 25 HD1 PHE 25 27.367 22.934 28.950
188 HE1 PHE 25 HE2 PHE 25 26.500 18.814 31.608
189 HE2 PHE 25 HE1 PHE 25 25.887 21.152 28.044
190 HZ PHE 25 HZ PHE 25 25.472 19.090 29.359
191 H ASN 26 HN ASN 26 30.324 20.593 29.852
192 HA ASN 26 HA ASN 26 31.338 21.919 27.413
193 HB2 ASN 26 HB1 ASN 26 32.659 20.125 28.330
194 HB3 ASN 26 HB2 ASN 26 31.297 19.047 28.327
195 HD21 ASN 26 2HD2 ASN 26 33.669 18.293 27.051
196 HD22 ASN 26 1HD2 ASN 26 33.380 18.312 25.314
197 HA PRO 27 HA PRO 27 27.069 21.464 25.878
198 HB2 PRO 27 HB1 PRO 27 27.366 22.841 23.511
199 HB3 PRO 27 HB2 PRO 27 27.147 23.614 25.103
200 HG2 PRO 27 HG1 PRO 27 29.743 23.093 23.622
201 HG3 PRO 27 HG2 PRO 27 29.207 24.613 24.409
202 HD2 PRO 27 HD1 PRO 27 30.878 22.894 25.657
203 HD3 PRO 27 HD2 PRO 27 29.603 23.739 26.573
204 H ALA 28 HN ALA 28 30.057 20.572 24.093
205 HA ALA 28 HA ALA 28 28.578 19.203 22.001
206 HB1 ALA 28 HB1 ALA 28 31.552 19.282 22.734
207 HB2 ALA 28 HB2 ALA 28 30.884 18.580 21.251
208 HB3 ALA 28 HB3 ALA 28 30.724 20.320 21.553
209 H THR 29 HN THR 29 30.647 18.145 24.730
210 HA THR 29 HA THR 29 29.410 15.396 24.661
211 HB THR 29 HB THR 29 32.143 16.143 25.784
212 HG1 THR 29 HG1 THR 29 32.559 16.313 23.723
213 HG21 THR 29 1HG2 THR 29 32.515 13.703 25.681
214 HG22 THR 29 2HG2 THR 29 31.142 14.084 26.722
215 HG23 THR 29 3HG2 THR 29 30.858 13.464 25.079
216 H ARG 30 HN ARG 30 28.142 15.024 26.509
217 HA ARG 30 HA ARG 30 27.972 16.969 28.600
218 HB2 ARG 30 HB1 ARG 30 26.936 14.118 28.441
219 HB3 ARG 30 HB2 ARG 30 26.640 15.205 29.806
220 HG2 ARG 30 HG1 ARG 30 25.575 16.844 28.357
221 HG3 ARG 30 HG2 ARG 30 25.879 15.856 26.924
222 HD2 ARG 30 HD1 ARG 30 24.171 14.942 29.277
223 HD3 ARG 30 HD2 ARG 30 23.533 15.760 27.856
224 HE ARG 30 HE ARG 30 24.193 13.945 26.439
225 HH11 ARG 30 1HH1 ARG 30 24.297 13.055 29.913
226 HH12 ARG 30 2HH1 ARG 30 24.385 11.357 29.465
227 HH21 ARG 30 1HH2 ARG 30 24.285 11.743 26.092
228 HH22 ARG 30 2HH2 ARG 30 24.336 10.664 27.473
229 H GLU 31 HN GLU 31 29.577 17.456 29.737
230 HA GLU 31 HA GLU 31 30.869 15.878 31.748
231 HB2 GLU 31 HB1 GLU 31 32.110 15.068 29.740
232 HB3 GLU 31 HB2 GLU 31 32.516 16.726 29.328
233 HG2 GLU 31 HG1 GLU 31 34.395 15.528 30.330
234 HG3 GLU 31 HG2 GLU 31 33.955 16.900 31.312
235 H SER 32 HN SER 32 32.474 17.286 32.951
236 HA SER 32 HA SER 32 31.924 20.220 32.635
237 HB2 SER 32 HB1 SER 32 31.839 20.319 35.149
238 HB3 SER 32 HB2 SER 32 30.500 19.464 34.384
239 HG SER 32 HG SER 32 31.690 18.453 36.308
240 H ARG 33 HN ARG 33 33.349 21.546 34.131
241 HA ARG 33 HA ARG 33 35.997 20.527 34.778
242 HB2 ARG 33 HB1 ARG 33 35.879 21.459 32.269
243 HB3 ARG 33 HB2 ARG 33 35.823 23.020 33.059
244 HG2 ARG 33 HG1 ARG 33 38.077 22.578 32.504
245 HG3 ARG 33 HG2 ARG 33 37.943 22.470 34.255
246 HD2 ARG 33 HD1 ARG 33 39.254 20.679 32.626
247 HD3 ARG 33 HD2 ARG 33 38.765 20.387 34.291
248 HE ARG 33 HE ARG 33 36.542 19.565 33.078
249 HH11 ARG 33 1HH1 ARG 33 39.892 18.627 32.211
250 HH12 ARG 33 2HH1 ARG 33 39.291 17.222 31.383
251 HH21 ARG 33 1HH2 ARG 33 35.950 17.796 32.184
252 HH22 ARG 33 2HH2 ARG 33 37.082 16.681 31.433
253 H TRP 34 HN TRP 34 36.966 21.792 36.391
254 HA TRP 34 HA TRP 34 34.829 23.109 37.957
255 HB2 TRP 34 HB1 TRP 34 37.368 21.808 38.970
256 HB3 TRP 34 HB2 TRP 34 35.816 21.977 39.791
257 HD1 TRP 34 HD1 TRP 34 33.780 20.413 38.765
258 HE1 TRP 34 HE1 TRP 34 33.745 18.277 37.381
259 HE3 TRP 34 HE3 TRP 34 38.714 20.274 37.404
260 HZ2 TRP 34 HZ2 TRP 34 35.558 16.884 35.573
261 HZ3 TRP 34 HZ3 TRP 34 39.525 18.565 35.816
262 HH2 TRP 34 HH2 TRP 34 37.949 16.886 34.868
263 H GLU 35 HN GLU 35 37.921 23.783 36.742
264 HA GLU 35 HA GLU 35 38.235 26.514 37.739
265 HB2 GLU 35 HB1 GLU 35 40.157 24.201 38.340
266 HB3 GLU 35 HB2 GLU 35 40.593 25.895 38.489
267 HG2 GLU 35 HG1 GLU 35 38.862 26.184 40.259
268 HG3 GLU 35 HG2 GLU 35 38.462 24.460 40.127
269 HA PRO 36 HA PRO 36 40.222 26.487 33.656
270 HB2 PRO 36 HB1 PRO 36 42.556 27.939 33.896
271 HB3 PRO 36 HB2 PRO 36 40.917 28.633 33.742
272 HG2 PRO 36 HG1 PRO 36 42.508 28.128 36.262
273 HG3 PRO 36 HG2 PRO 36 41.599 29.604 35.811
274 HD2 PRO 36 HD1 PRO 36 40.531 27.781 37.491
275 HD3 PRO 36 HD2 PRO 36 39.511 28.559 36.253
276 HA PRO 37 HA PRO 37 42.788 22.876 34.635
277 HB2 PRO 37 HB1 PRO 37 42.360 21.411 32.399
278 HB3 PRO 37 HB2 PRO 37 41.057 21.804 33.554
279 HG2 PRO 37 HG1 PRO 37 41.717 23.169 30.943
280 HG3 PRO 37 HG2 PRO 37 40.130 22.611 31.569
281 HD2 PRO 37 HD1 PRO 37 40.982 25.218 31.820
282 HD3 PRO 37 HD2 PRO 37 39.875 24.408 32.955
283 H ALA 38 HN ALA 38 44.402 21.402 32.978
284 HA ALA 38 HA ALA 38 46.693 23.143 32.581
285 HB1 ALA 38 HB1 ALA 38 46.286 20.194 31.938
286 HB2 ALA 38 HB2 ALA 38 47.837 21.051 32.001
287 HB3 ALA 38 HB3 ALA 38 46.886 20.851 33.478
288 H ASP 39 HN ASP 39 44.673 21.243 30.293
289 HA ASP 39 HA ASP 39 46.112 21.845 27.946
290 HB2 ASP 39 HB1 ASP 39 44.348 20.066 28.403
291 HB3 ASP 39 HB2 ASP 39 43.118 21.304 28.165
292 H THR 40 HN THR 40 44.304 24.011 29.714
293 HA THR 40 HA THR 40 42.886 25.499 27.711
294 HB THR 40 HB THR 40 42.517 25.031 30.239
295 HG1 THR 40 HG1 THR 40 41.716 26.949 28.587
296 HG21 THR 40 1HG2 THR 40 44.667 26.312 30.915
297 HG22 THR 40 2HG2 THR 40 43.776 27.791 30.494
298 HG23 THR 40 3HG2 THR 40 43.169 26.734 31.780
299 H ASP 41 HN ASP 41 43.137 27.999 27.582
300 HA ASP 41 HA ASP 41 45.800 28.101 26.268
301 HB2 ASP 41 HB1 ASP 41 43.399 27.986 25.122
302 HB3 ASP 41 HB2 ASP 41 43.412 29.715 25.474
303 H MET 42 HN MET 42 45.144 29.124 28.914
304 HA MET 42 HA MET 42 44.808 31.230 29.981
305 HB2 MET 42 HB1 MET 42 47.600 30.148 30.048
306 HB3 MET 42 HB2 MET 42 46.975 31.369 31.172
307 HG2 MET 42 HG1 MET 42 44.994 29.799 31.610
308 HG3 MET 42 HG2 MET 42 45.905 28.561 30.722
309 HE1 MET 42 HE1 MET 42 44.740 28.156 33.481
310 HE2 MET 42 HE2 MET 42 45.792 26.870 32.835
311 HE3 MET 42 HE3 MET 42 46.039 27.490 34.481
312 H GLU 43 HN GLU 43 47.430 31.833 27.534
313 HA GLU 43 HA GLU 43 47.597 34.645 28.074
314 HB2 GLU 43 HB1 GLU 43 49.110 33.219 26.592
315 HB3 GLU 43 HB2 GLU 43 47.856 33.289 25.361
316 HG2 GLU 43 HG1 GLU 43 49.548 34.962 24.890
317 HG3 GLU 43 HG2 GLU 43 48.048 35.783 25.324
318 H THR 44 HN THR 44 45.388 32.828 25.938
319 HA THR 44 HA THR 44 43.695 35.059 25.089
320 HB THR 44 HB THR 44 43.106 32.051 25.266
321 HG1 THR 44 HG1 THR 44 44.349 31.733 23.588
322 HG21 THR 44 1HG2 THR 44 41.889 32.535 23.032
323 HG22 THR 44 2HG2 THR 44 41.104 33.103 24.509
324 HG23 THR 44 3HG2 THR 44 41.984 34.252 23.497
325 H LEU 45 HN LEU 45 44.015 33.594 28.089
326 HA LEU 45 HA LEU 45 41.085 33.710 28.621
327 HB2 LEU 45 HB1 LEU 45 42.577 31.503 28.403
328 HB3 LEU 45 HB2 LEU 45 43.071 32.009 30.018
329 HG LEU 45 HG LEU 45 41.036 31.785 30.942
330 HD11 LEU 45 1HD1 LEU 45 39.523 30.611 28.705
331 HD12 LEU 45 2HD1 LEU 45 38.997 31.229 30.223
332 HD13 LEU 45 3HD1 LEU 45 39.488 32.368 28.955
333 HD21 LEU 45 3HD2 LEU 45 41.746 29.365 29.293
334 HD22 LEU 45 1HD2 LEU 45 42.408 29.845 30.861
335 HD23 LEU 45 2HD2 LEU 45 40.719 29.339 30.748
336 H LYS 46 HN LYS 46 44.281 34.689 29.866
337 HA LYS 46 HA LYS 46 43.340 35.818 32.334
338 HB2 LYS 46 HB1 LYS 46 45.656 36.287 30.435
339 HB3 LYS 46 HB2 LYS 46 45.207 37.621 31.473
340 HG2 LYS 46 HG1 LYS 46 46.914 36.565 32.586
341 HG3 LYS 46 HG2 LYS 46 45.468 36.164 33.490
342 HD2 LYS 46 HD1 LYS 46 46.780 34.306 31.455
343 HD3 LYS 46 HD2 LYS 46 47.260 34.361 33.135
344 HE2 LYS 46 HE1 LYS 46 44.429 33.649 32.235
345 HE3 LYS 46 HE2 LYS 46 45.707 32.482 32.580
346 HZ1 LYS 46 HZ1 LYS 46 44.651 34.405 34.571
347 HZ2 LYS 46 HZ2 LYS 46 44.323 32.806 34.520
348 HZ3 LYS 46 HZ3 LYS 46 45.841 33.322 34.842
349 H MET 47 HN MET 47 43.377 37.076 28.992
350 HA MET 47 HA MET 47 42.005 39.533 29.454
351 HB2 MET 47 HB1 MET 47 41.635 39.527 27.037
352 HB3 MET 47 HB2 MET 47 43.294 39.060 27.423
353 HG2 MET 47 HG1 MET 47 42.848 36.762 26.939
354 HG3 MET 47 HG2 MET 47 41.113 37.063 26.784
355 HE1 MET 47 HE1 MET 47 44.620 37.247 25.209
356 HE2 MET 47 HE2 MET 47 44.392 38.174 23.723
357 HE3 MET 47 HE3 MET 47 44.306 38.992 25.296
358 H TYR 48 HN TYR 48 40.723 36.420 29.870
359 HA TYR 48 HA TYR 48 37.898 37.351 29.488
360 HB2 TYR 48 HB1 TYR 48 38.410 35.425 28.141
361 HB3 TYR 48 HB2 TYR 48 39.270 34.638 29.434
362 HD1 TYR 48 HD2 TYR 48 35.819 35.819 28.543
363 HD2 TYR 48 HD1 TYR 48 38.254 33.126 30.857
364 HE1 TYR 48 HE2 TYR 48 33.778 34.594 29.259
365 HE2 TYR 48 HE1 TYR 48 36.228 31.869 31.538
366 HH TYR 48 HH TYR 48 33.918 31.734 31.408
367 H MET 49 HN MET 49 40.059 35.591 31.709
368 HA MET 49 HA MET 49 38.133 35.318 33.841
369 HB2 MET 49 HB1 MET 49 41.122 34.763 33.544
370 HB3 MET 49 HB2 MET 49 40.253 34.487 35.061
371 HG2 MET 49 HG1 MET 49 39.771 33.145 32.394
372 HG3 MET 49 HG2 MET 49 40.509 32.453 33.829
373 HE1 MET 49 HE1 MET 49 38.609 30.659 32.606
374 HE2 MET 49 HE2 MET 49 39.211 30.404 34.263
375 HE3 MET 49 HE3 MET 49 37.482 30.229 33.916
376 H ALA 50 HN ALA 50 40.772 37.682 33.261
377 HA ALA 50 HA ALA 50 40.337 38.861 35.950
378 HB1 ALA 50 HB1 ALA 50 42.432 39.491 33.825
379 HB2 ALA 50 HB2 ALA 50 42.410 40.073 35.502
380 HB3 ALA 50 HB3 ALA 50 42.651 38.351 35.171
381 H THR 51 HN THR 51 40.184 41.223 36.153
382 HA THR 51 HA THR 51 38.109 42.252 34.344
383 HB THR 51 HB THR 51 37.894 44.037 36.087
384 HG1 THR 51 HG1 THR 51 38.979 43.646 38.029
385 HG21 THR 51 1HG2 THR 51 36.500 42.079 36.174
386 HG22 THR 51 2HG2 THR 51 37.748 41.152 37.036
387 HG23 THR 51 3HG2 THR 51 36.962 42.546 37.814
388 H TYR 52 HN TYR 52 41.516 42.857 34.553
389 HA TYR 52 HA TYR 52 41.237 45.601 33.553
390 HB2 TYR 52 HB1 TYR 52 43.092 44.469 35.132
391 HB3 TYR 52 HB2 TYR 52 43.897 44.237 33.593
392 HD1 TYR 52 HD1 TYR 52 42.415 46.698 35.931
393 HD2 TYR 52 HD2 TYR 52 44.850 46.191 32.412
394 HE1 TYR 52 HE1 TYR 52 43.121 49.075 36.085
395 HE2 TYR 52 HE2 TYR 52 45.543 48.581 32.553
396 HH TYR 52 HH TYR 52 44.452 50.698 35.236
397 H HIS 53 HN HIS 53 42.181 46.416 31.607
398 HA HIS 53 HA HIS 53 42.726 44.544 29.380
399 HB2 HIS 53 HB1 HIS 53 40.953 45.167 28.033
400 HB3 HIS 53 HB2 HIS 53 40.186 45.052 29.600
401 HD1 HIS 53 HD1 HIS 53 39.604 47.505 30.840
402 HD2 HIS 53 HD2 HIS 53 40.777 47.433 26.760
403 HE1 HIS 53 HE1 HIS 53 38.916 49.749 29.811
Start of MODEL 9
1 H SER 1 H SER 1 25.769 35.543 29.067
2 HA SER 1 HA SER 1 27.312 37.262 28.765
3 HB2 SER 1 HB1 SER 1 29.056 35.580 30.576
4 HB3 SER 1 HB2 SER 1 29.726 36.814 29.484
5 HG SER 1 HG SER 1 29.170 37.582 31.632
6 H MET 2 HN MET 2 27.571 37.125 26.627
7 HA MET 2 HA MET 2 28.939 34.801 25.393
8 HB2 MET 2 HB1 MET 2 27.990 37.451 24.239
9 HB3 MET 2 HB2 MET 2 28.750 36.157 23.316
10 HG2 MET 2 HG1 MET 2 26.148 35.899 24.886
11 HG3 MET 2 HG2 MET 2 26.253 36.181 23.164
12 HE1 MET 2 HE1 MET 2 27.386 32.919 21.600
13 HE2 MET 2 HE2 MET 2 26.563 34.480 21.365
14 HE3 MET 2 HE3 MET 2 28.255 34.433 21.889
15 H VAL 3 HN VAL 3 31.126 34.681 25.444
16 HA VAL 3 HA VAL 3 32.917 36.981 25.358
17 HB VAL 3 HB VAL 3 34.104 36.285 27.506
18 HG11 VAL 3 1HG1 VAL 3 31.455 37.662 28.013
19 HG12 VAL 3 2HG1 VAL 3 32.975 37.848 28.894
20 HG13 VAL 3 3HG1 VAL 3 32.854 38.440 27.230
21 HG21 VAL 3 3HG2 VAL 3 31.379 35.140 28.267
22 HG22 VAL 3 1HG2 VAL 3 32.887 34.219 28.074
23 HG23 VAL 3 2HG2 VAL 3 32.737 35.419 29.364
24 H ASN 4 HN ASN 4 34.910 36.397 24.608
25 HA ASN 4 HA ASN 4 35.308 33.622 23.864
26 HB2 ASN 4 HB1 ASN 4 37.024 36.098 23.587
27 HB3 ASN 4 HB2 ASN 4 37.628 34.486 23.196
28 HD21 ASN 4 2HD2 ASN 4 35.440 37.034 22.135
29 HD22 ASN 4 1HD2 ASN 4 34.988 36.235 20.632
30 H THR 5 HN THR 5 36.447 32.083 24.746
31 HA THR 5 HA THR 5 38.122 32.510 27.242
32 HB THR 5 HB THR 5 37.440 30.304 27.937
33 HG1 THR 5 HG1 THR 5 35.218 30.182 26.389
34 HG21 THR 5 1HG2 THR 5 35.273 30.908 28.770
35 HG22 THR 5 2HG2 THR 5 36.316 32.333 28.691
36 HG23 THR 5 3HG2 THR 5 35.042 32.121 27.479
37 H GLY 6 HN GLY 6 40.013 31.476 27.186
38 HA2 GLY 6 HA1 GLY 6 40.888 29.901 24.905
39 HA3 GLY 6 HA2 GLY 6 41.778 30.158 26.364
40 H LEU 7 HN LEU 7 38.576 29.105 27.098
41 HA LEU 7 HA LEU 7 39.668 26.865 28.435
42 HB2 LEU 7 HB1 LEU 7 36.884 27.914 27.984
43 HB3 LEU 7 HB2 LEU 7 37.046 26.288 28.596
44 HG LEU 7 HG LEU 7 38.442 28.621 29.954
45 HD11 LEU 7 1HD1 LEU 7 35.711 27.410 30.596
46 HD12 LEU 7 2HD1 LEU 7 36.561 28.649 31.542
47 HD13 LEU 7 3HD1 LEU 7 35.992 29.022 29.911
48 HD21 LEU 7 3HD2 LEU 7 38.481 27.101 31.902
49 HD22 LEU 7 1HD2 LEU 7 37.663 25.837 30.964
50 HD23 LEU 7 2HD2 LEU 7 39.305 26.341 30.537
51 HA PRO 8 HA PRO 8 39.643 23.895 25.229
52 HB2 PRO 8 HB1 PRO 8 39.333 21.475 26.361
53 HB3 PRO 8 HB2 PRO 8 40.684 22.531 26.837
54 HG2 PRO 8 HG1 PRO 8 37.970 22.281 28.180
55 HG3 PRO 8 HG2 PRO 8 39.583 22.021 28.911
56 HD2 PRO 8 HD1 PRO 8 38.261 24.394 29.062
57 HD3 PRO 8 HD2 PRO 8 40.043 24.336 28.885
58 H ALA 9 HN ALA 9 38.268 22.463 23.890
59 HA ALA 9 HA ALA 9 35.893 23.627 23.260
60 HB1 ALA 9 HB1 ALA 9 36.628 20.709 22.759
61 HB2 ALA 9 HB2 ALA 9 35.502 21.692 21.800
62 HB3 ALA 9 HB3 ALA 9 37.225 22.103 21.829
63 H GLY 10 HN GLY 10 36.121 21.157 25.734
64 HA2 GLY 10 HA1 GLY 10 33.191 20.948 26.063
65 HA3 GLY 10 HA2 GLY 10 34.442 20.174 27.066
66 H TRP 11 HN TRP 11 33.285 23.462 26.162
67 HA TRP 11 HA TRP 11 32.939 24.028 29.031
68 HB2 TRP 11 HB1 TRP 11 34.160 25.938 29.082
69 HB3 TRP 11 HB2 TRP 11 35.166 24.978 28.022
70 HD1 TRP 11 HD1 TRP 11 34.705 25.509 25.294
71 HE1 TRP 11 HE1 TRP 11 34.022 27.657 24.076
72 HE3 TRP 11 HE3 TRP 11 33.167 28.263 29.333
73 HZ2 TRP 11 HZ2 TRP 11 33.062 30.297 24.789
74 HZ3 TRP 11 HZ3 TRP 11 32.334 30.577 29.022
75 HH2 TRP 11 HH2 TRP 11 32.287 31.607 26.764
76 H GLU 12 HN GLU 12 31.425 25.487 29.569
77 HA GLU 12 HA GLU 12 29.992 27.439 28.145
78 HB2 GLU 12 HB1 GLU 12 28.909 25.536 26.936
79 HB3 GLU 12 HB2 GLU 12 28.577 24.749 28.470
80 HG2 GLU 12 HG1 GLU 12 26.534 25.669 27.850
81 HG3 GLU 12 HG2 GLU 12 27.115 26.819 29.043
82 H VAL 13 HN VAL 13 29.324 28.772 29.978
83 HA VAL 13 HA VAL 13 29.888 27.602 32.596
84 HB VAL 13 HB VAL 13 28.622 30.299 32.060
85 HG11 VAL 13 1HG1 VAL 13 30.067 29.204 34.498
86 HG12 VAL 13 2HG1 VAL 13 29.524 30.885 34.301
87 HG13 VAL 13 3HG1 VAL 13 28.334 29.590 34.406
88 HG21 VAL 13 3HG2 VAL 13 31.564 29.583 32.439
89 HG22 VAL 13 1HG2 VAL 13 30.820 30.146 30.930
90 HG23 VAL 13 2HG2 VAL 13 30.904 31.224 32.320
91 H ARG 14 HN ARG 14 28.592 26.678 33.961
92 HA ARG 14 HA ARG 14 25.652 26.977 33.753
93 HB2 ARG 14 HB1 ARG 14 27.396 24.662 34.676
94 HB3 ARG 14 HB2 ARG 14 25.697 24.759 35.135
95 HG2 ARG 14 HG1 ARG 14 26.604 24.828 32.235
96 HG3 ARG 14 HG2 ARG 14 26.244 23.332 33.111
97 HD2 ARG 14 HD1 ARG 14 23.992 23.708 33.239
98 HD3 ARG 14 HD2 ARG 14 24.141 25.456 33.208
99 HE ARG 14 HE ARG 14 24.272 23.611 30.870
100 HH11 ARG 14 1HH1 ARG 14 23.918 26.990 32.020
101 HH12 ARG 14 2HH1 ARG 14 23.751 27.560 30.371
102 HH21 ARG 14 1HH2 ARG 14 24.030 24.550 28.795
103 HH22 ARG 14 2HH2 ARG 14 23.679 26.271 28.704
104 H HIS 15 HN HIS 15 24.645 27.852 35.388
105 HA HIS 15 HA HIS 15 25.967 28.194 38.057
106 HB2 HIS 15 HB1 HIS 15 23.592 29.611 36.790
107 HB3 HIS 15 HB2 HIS 15 24.228 29.933 38.407
108 HD1 HIS 15 HD1 HIS 15 24.591 31.249 34.976
109 HD2 HIS 15 HD2 HIS 15 27.075 30.522 38.348
110 HE1 HIS 15 HE1 HIS 15 26.743 32.585 34.643
111 H SER 16 HN SER 16 24.754 25.690 37.048
112 HA SER 16 HA SER 16 22.186 25.272 38.267
113 HB2 SER 16 HB1 SER 16 24.138 23.279 37.094
114 HB3 SER 16 HB2 SER 16 22.439 22.994 37.449
115 HG SER 16 HG SER 16 22.633 23.406 35.335
116 H ASN 17 HN ASN 17 23.342 26.075 40.493
117 HA ASN 17 HA ASN 17 23.445 23.818 42.248
118 HB2 ASN 17 HB1 ASN 17 25.957 25.426 41.640
119 HB3 ASN 17 HB2 ASN 17 25.674 24.771 43.252
120 HD21 ASN 17 2HD2 ASN 17 25.068 22.356 43.339
121 HD22 ASN 17 1HD2 ASN 17 25.896 21.308 42.186
122 H SER 18 HN SER 18 22.678 24.381 44.040
123 HA SER 18 HA SER 18 21.591 26.928 44.805
124 HB2 SER 18 HB1 SER 18 20.901 24.651 45.618
125 HB3 SER 18 HB2 SER 18 22.392 24.587 46.581
126 HG SER 18 HG SER 18 20.442 25.316 47.673
127 H LYS 19 HN LYS 19 24.765 25.422 45.431
128 HA LYS 19 HA LYS 19 25.732 27.631 47.090
129 HB2 LYS 19 HB1 LYS 19 26.958 25.198 45.777
130 HB3 LYS 19 HB2 LYS 19 27.992 26.504 46.348
131 HG2 LYS 19 HG1 LYS 19 27.844 24.777 48.034
132 HG3 LYS 19 HG2 LYS 19 27.146 26.282 48.630
133 HD2 LYS 19 HD1 LYS 19 24.880 25.403 48.328
134 HD3 LYS 19 HD2 LYS 19 25.522 23.933 47.562
135 HE2 LYS 19 HE1 LYS 19 26.640 23.289 49.647
136 HE3 LYS 19 HE2 LYS 19 26.149 24.807 50.413
137 HZ1 LYS 19 HZ1 LYS 19 24.258 22.730 49.453
138 HZ2 LYS 19 HZ2 LYS 19 24.668 23.004 51.034
139 HZ3 LYS 19 HZ3 LYS 19 23.846 24.140 50.189
140 H ASN 20 HN ASN 20 27.150 29.315 46.435
141 HA ASN 20 HA ASN 20 26.147 30.461 43.949
142 HB2 ASN 20 HB1 ASN 20 27.781 31.655 46.221
143 HB3 ASN 20 HB2 ASN 20 27.077 32.569 44.888
144 HD21 ASN 20 2HD2 ASN 20 26.520 31.936 48.080
145 HD22 ASN 20 1HD2 ASN 20 24.758 31.939 48.056
146 H LEU 21 HN LEU 21 28.086 28.410 43.421
147 HA LEU 21 HA LEU 21 30.333 29.927 42.145
148 HB2 LEU 21 HB1 LEU 21 30.123 27.163 43.359
149 HB3 LEU 21 HB2 LEU 21 31.131 27.342 41.948
150 HG LEU 21 HG LEU 21 32.375 27.433 44.051
151 HD11 LEU 21 1HD1 LEU 21 32.569 30.027 42.467
152 HD12 LEU 21 2HD1 LEU 21 33.817 29.314 43.505
153 HD13 LEU 21 3HD1 LEU 21 33.324 28.466 42.040
154 HD21 LEU 21 3HD2 LEU 21 31.065 30.133 44.540
155 HD22 LEU 21 1HD2 LEU 21 30.719 28.640 45.445
156 HD23 LEU 21 2HD2 LEU 21 32.333 29.373 45.509
157 HA PRO 22 HA PRO 22 28.685 28.118 38.296
158 HB2 PRO 22 HB1 PRO 22 30.644 28.687 36.539
159 HB3 PRO 22 HB2 PRO 22 29.752 30.016 37.321
160 HG2 PRO 22 HG1 PRO 22 32.464 28.875 38.089
161 HG3 PRO 22 HG2 PRO 22 31.989 30.592 37.955
162 HD2 PRO 22 HD1 PRO 22 32.014 29.072 40.330
163 HD3 PRO 22 HD2 PRO 22 31.092 30.577 40.100
164 H TYR 23 HN TYR 23 29.354 26.408 36.754
165 HA TYR 23 HA TYR 23 32.033 25.290 37.010
166 HB2 TYR 23 HB1 TYR 23 31.420 22.972 36.947
167 HB3 TYR 23 HB2 TYR 23 30.716 23.690 38.380
168 HD1 TYR 23 HD1 TYR 23 30.020 22.261 35.049
169 HD2 TYR 23 HD2 TYR 23 28.267 23.899 38.618
170 HE1 TYR 23 HE1 TYR 23 27.810 21.328 34.375
171 HE2 TYR 23 HE2 TYR 23 26.074 22.925 37.997
172 HH TYR 23 HH TYR 23 25.595 21.061 34.957
173 H TYR 24 HN TYR 24 32.544 23.978 34.882
174 HA TYR 24 HA TYR 24 31.009 25.287 32.669
175 HB2 TYR 24 HB1 TYR 24 33.613 23.821 32.412
176 HB3 TYR 24 HB2 TYR 24 32.873 24.931 31.277
177 HD1 TYR 24 HD1 TYR 24 32.299 27.357 32.665
178 HD2 TYR 24 HD2 TYR 24 35.579 24.643 33.329
179 HE1 TYR 24 HE1 TYR 24 33.635 29.214 33.647
180 HE2 TYR 24 HE2 TYR 24 36.923 26.504 34.295
181 HH TYR 24 HH TYR 24 35.612 29.819 34.657
182 H PHE 25 HN PHE 25 29.577 24.067 31.513
183 HA PHE 25 HA PHE 25 29.478 21.130 31.755
184 HB2 PHE 25 HB1 PHE 25 27.403 22.352 31.528
185 HB3 PHE 25 HB2 PHE 25 27.957 23.147 30.061
186 HD1 PHE 25 HD1 PHE 25 27.499 19.702 31.490
187 HD2 PHE 25 HD2 PHE 25 27.252 22.204 27.974
188 HE1 PHE 25 HE1 PHE 25 26.492 17.817 30.183
189 HE2 PHE 25 HE2 PHE 25 26.227 20.339 26.714
190 HZ PHE 25 HZ PHE 25 25.857 18.144 27.811
191 H ASN 26 HN ASN 26 29.990 19.649 30.072
192 HA ASN 26 HA ASN 26 31.846 20.690 27.995
193 HB2 ASN 26 HB1 ASN 26 31.387 17.904 29.064
194 HB3 ASN 26 HB2 ASN 26 32.382 18.281 27.664
195 HD21 ASN 26 2HD2 ASN 26 34.476 17.875 28.326
196 HD22 ASN 26 1HD2 ASN 26 35.182 18.698 29.711
197 HA PRO 27 HA PRO 27 28.131 19.966 25.344
198 HB2 PRO 27 HB1 PRO 27 28.904 21.641 23.287
199 HB3 PRO 27 HB2 PRO 27 28.025 22.162 24.740
200 HG2 PRO 27 HG1 PRO 27 31.005 22.295 24.239
201 HG3 PRO 27 HG2 PRO 27 29.914 23.589 24.842
202 HD2 PRO 27 HD1 PRO 27 31.365 22.106 26.553
203 HD3 PRO 27 HD2 PRO 27 29.684 22.547 26.950
204 H ALA 28 HN ALA 28 31.648 19.943 24.601
205 HA ALA 28 HA ALA 28 31.453 18.630 22.125
206 HB1 ALA 28 HB1 ALA 28 33.769 18.758 24.117
207 HB2 ALA 28 HB2 ALA 28 33.903 18.367 22.391
208 HB3 ALA 28 HB3 ALA 28 33.374 19.984 22.885
209 H THR 29 HN THR 29 31.179 17.237 25.256
210 HA THR 29 HA THR 29 30.405 14.638 24.427
211 HB THR 29 HB THR 29 33.235 14.866 25.541
212 HG1 THR 29 HG1 THR 29 32.534 14.682 23.202
213 HG21 THR 29 1HG2 THR 29 31.428 12.408 25.500
214 HG22 THR 29 2HG2 THR 29 33.188 12.379 25.747
215 HG23 THR 29 3HG2 THR 29 32.158 13.173 26.935
216 H ARG 30 HN ARG 30 29.064 13.992 26.025
217 HA ARG 30 HA ARG 30 28.396 15.797 28.022
218 HB2 ARG 30 HB1 ARG 30 27.609 12.877 28.002
219 HB3 ARG 30 HB2 ARG 30 26.743 14.219 28.741
220 HG2 ARG 30 HG1 ARG 30 26.259 15.165 26.513
221 HG3 ARG 30 HG2 ARG 30 27.210 13.882 25.740
222 HD2 ARG 30 HD1 ARG 30 25.661 12.183 26.806
223 HD3 ARG 30 HD2 ARG 30 24.642 13.532 27.310
224 HE ARG 30 HE ARG 30 24.081 14.004 25.076
225 HH11 ARG 30 1HH1 ARG 30 26.385 11.276 25.066
226 HH12 ARG 30 2HH1 ARG 30 25.740 10.687 23.540
227 HH21 ARG 30 1HH2 ARG 30 23.458 13.189 23.060
228 HH22 ARG 30 2HH2 ARG 30 24.232 11.726 22.454
229 H GLU 31 HN GLU 31 29.559 16.353 29.555
230 HA GLU 31 HA GLU 31 30.521 14.869 31.854
231 HB2 GLU 31 HB1 GLU 31 32.243 14.270 30.221
232 HB3 GLU 31 HB2 GLU 31 32.481 15.947 29.785
233 HG2 GLU 31 HG1 GLU 31 34.299 15.021 31.166
234 HG3 GLU 31 HG2 GLU 31 33.570 16.418 31.906
235 H SER 32 HN SER 32 31.886 16.717 33.191
236 HA SER 32 HA SER 32 31.391 19.458 32.272
237 HB2 SER 32 HB1 SER 32 30.331 18.712 35.015
238 HB3 SER 32 HB2 SER 32 30.269 20.291 34.196
239 HG SER 32 HG SER 32 29.228 18.444 32.617
240 H ARG 33 HN ARG 33 33.036 20.718 32.676
241 HA ARG 33 HA ARG 33 35.379 19.734 34.121
242 HB2 ARG 33 HB1 ARG 33 35.446 20.626 31.777
243 HB3 ARG 33 HB2 ARG 33 34.946 22.186 32.365
244 HG2 ARG 33 HG1 ARG 33 37.282 22.330 32.023
245 HG3 ARG 33 HG2 ARG 33 37.031 22.281 33.776
246 HD2 ARG 33 HD1 ARG 33 38.926 20.929 33.136
247 HD3 ARG 33 HD2 ARG 33 37.658 19.916 33.834
248 HE ARG 33 HE ARG 33 37.833 20.171 30.853
249 HH11 ARG 33 1HH1 ARG 33 38.042 17.998 33.645
250 HH12 ARG 33 2HH1 ARG 33 38.098 16.596 32.623
251 HH21 ARG 33 1HH2 ARG 33 38.343 18.371 29.677
252 HH22 ARG 33 2HH2 ARG 33 38.174 16.786 30.407
253 H TRP 34 HN TRP 34 35.782 20.239 36.086
254 HA TRP 34 HA TRP 34 34.129 21.811 37.746
255 HB2 TRP 34 HB1 TRP 34 36.690 21.002 38.941
256 HB3 TRP 34 HB2 TRP 34 35.065 20.496 39.334
257 HD1 TRP 34 HD1 TRP 34 34.316 18.145 38.469
258 HE1 TRP 34 HE1 TRP 34 35.412 16.242 37.146
259 HE3 TRP 34 HE3 TRP 34 38.583 20.552 36.941
260 HZ2 TRP 34 HZ2 TRP 34 37.740 15.853 35.507
261 HZ3 TRP 34 HZ3 TRP 34 40.272 19.347 35.576
262 HH2 TRP 34 HH2 TRP 34 39.888 16.998 34.886
263 H GLU 35 HN GLU 35 37.275 22.523 36.371
264 HA GLU 35 HA GLU 35 37.373 25.273 37.173
265 HB2 GLU 35 HB1 GLU 35 39.327 25.152 38.619
266 HB3 GLU 35 HB2 GLU 35 38.015 24.245 39.333
267 HG2 GLU 35 HG1 GLU 35 39.056 22.146 38.842
268 HG3 GLU 35 HG2 GLU 35 40.199 22.880 37.710
269 HA PRO 36 HA PRO 36 39.987 25.506 33.686
270 HB2 PRO 36 HB1 PRO 36 42.239 26.673 35.313
271 HB3 PRO 36 HB2 PRO 36 41.583 27.205 33.727
272 HG2 PRO 36 HG1 PRO 36 40.851 28.467 35.994
273 HG3 PRO 36 HG2 PRO 36 39.601 28.065 34.768
274 HD2 PRO 36 HD1 PRO 36 40.309 26.599 37.315
275 HD3 PRO 36 HD2 PRO 36 38.687 27.012 36.672
276 HA PRO 37 HA PRO 37 42.625 21.789 34.157
277 HB2 PRO 37 HB1 PRO 37 42.406 20.828 31.629
278 HB3 PRO 37 HB2 PRO 37 41.024 20.860 32.738
279 HG2 PRO 37 HG1 PRO 37 41.670 22.823 30.539
280 HG3 PRO 37 HG2 PRO 37 40.099 22.052 30.954
281 HD2 PRO 37 HD1 PRO 37 40.823 24.578 31.792
282 HD3 PRO 37 HD2 PRO 37 39.676 23.510 32.653
283 H ALA 38 HN ALA 38 44.424 20.853 32.369
284 HA ALA 38 HA ALA 38 46.534 22.858 32.321
285 HB1 ALA 38 HB1 ALA 38 46.444 19.987 31.287
286 HB2 ALA 38 HB2 ALA 38 47.900 20.976 31.521
287 HB3 ALA 38 HB3 ALA 38 46.927 20.495 32.923
288 H ASP 39 HN ASP 39 44.666 21.167 29.716
289 HA ASP 39 HA ASP 39 46.221 22.394 27.640
290 HB2 ASP 39 HB1 ASP 39 45.014 20.146 27.656
291 HB3 ASP 39 HB2 ASP 39 43.531 21.039 27.298
292 H THR 40 HN THR 40 44.213 24.044 29.474
293 HA THR 40 HA THR 40 42.644 25.611 27.574
294 HB THR 40 HB THR 40 41.994 25.086 29.899
295 HG1 THR 40 HG1 THR 40 41.602 27.457 30.360
296 HG21 THR 40 1HG2 THR 40 43.905 27.369 30.670
297 HG22 THR 40 2HG2 THR 40 42.948 26.338 31.765
298 HG23 THR 40 3HG2 THR 40 44.342 25.673 30.894
299 H ASP 41 HN ASP 41 42.873 27.878 27.199
300 HA ASP 41 HA ASP 41 45.656 28.169 26.259
301 HB2 ASP 41 HB1 ASP 41 43.361 27.944 24.874
302 HB3 ASP 41 HB2 ASP 41 43.329 29.653 25.084
303 H MET 42 HN MET 42 45.401 29.121 28.703
304 HA MET 42 HA MET 42 44.682 31.213 29.772
305 HB2 MET 42 HB1 MET 42 47.626 30.602 29.734
306 HB3 MET 42 HB2 MET 42 46.824 31.709 30.866
307 HG2 MET 42 HG1 MET 42 45.166 29.801 31.351
308 HG3 MET 42 HG2 MET 42 46.304 28.733 30.537
309 HE1 MET 42 HE1 MET 42 48.725 28.253 31.306
310 HE2 MET 42 HE2 MET 42 49.145 29.975 31.452
311 HE3 MET 42 HE3 MET 42 49.463 28.877 32.801
312 H GLU 43 HN GLU 43 47.132 32.145 27.214
313 HA GLU 43 HA GLU 43 47.003 34.922 27.740
314 HB2 GLU 43 HB1 GLU 43 48.549 33.909 26.146
315 HB3 GLU 43 HB2 GLU 43 47.207 33.475 25.071
316 HG2 GLU 43 HG1 GLU 43 46.741 35.744 24.529
317 HG3 GLU 43 HG2 GLU 43 47.774 36.353 25.816
318 H THR 44 HN THR 44 44.726 32.953 25.787
319 HA THR 44 HA THR 44 42.901 35.195 25.205
320 HB THR 44 HB THR 44 42.509 32.136 25.016
321 HG1 THR 44 HG1 THR 44 43.211 32.316 22.995
322 HG21 THR 44 1HG2 THR 44 41.071 34.491 23.674
323 HG22 THR 44 2HG2 THR 44 40.835 32.781 23.256
324 HG23 THR 44 3HG2 THR 44 40.355 33.375 24.848
325 H LEU 45 HN LEU 45 43.355 33.060 27.942
326 HA LEU 45 HA LEU 45 40.625 33.684 28.913
327 HB2 LEU 45 HB1 LEU 45 42.949 32.267 30.272
328 HB3 LEU 45 HB2 LEU 45 41.507 32.703 31.085
329 HG LEU 45 HG LEU 45 41.222 30.539 30.708
330 HD11 LEU 45 1HD1 LEU 45 39.441 31.988 28.866
331 HD12 LEU 45 2HD1 LEU 45 39.524 30.217 28.782
332 HD13 LEU 45 3HD1 LEU 45 39.148 30.958 30.291
333 HD21 LEU 45 3HD2 LEU 45 42.549 30.871 28.092
334 HD22 LEU 45 1HD2 LEU 45 42.971 29.904 29.511
335 HD23 LEU 45 2HD2 LEU 45 41.631 29.397 28.521
336 H LYS 46 HN LYS 46 43.853 35.183 29.103
337 HA LYS 46 HA LYS 46 43.254 36.177 31.664
338 HB2 LYS 46 HB1 LYS 46 45.021 37.544 29.555
339 HB3 LYS 46 HB2 LYS 46 45.039 37.913 31.268
340 HG2 LYS 46 HG1 LYS 46 46.050 35.394 29.930
341 HG3 LYS 46 HG2 LYS 46 46.950 36.663 30.684
342 HD2 LYS 46 HD1 LYS 46 47.102 35.006 32.209
343 HD3 LYS 46 HD2 LYS 46 45.864 36.025 32.911
344 HE2 LYS 46 HE1 LYS 46 44.121 34.420 32.380
345 HE3 LYS 46 HE2 LYS 46 45.150 33.578 31.230
346 HZ1 LYS 46 HZ1 LYS 46 45.555 33.597 34.155
347 HZ2 LYS 46 HZ2 LYS 46 45.023 32.331 33.258
348 HZ3 LYS 46 HZ3 LYS 46 46.572 32.888 33.077
349 H MET 47 HN MET 47 42.164 37.271 28.573
350 HA MET 47 HA MET 47 41.002 39.810 29.347
351 HB2 MET 47 HB1 MET 47 39.936 39.782 27.234
352 HB3 MET 47 HB2 MET 47 41.578 39.161 27.013
353 HG2 MET 47 HG1 MET 47 40.932 37.252 26.255
354 HG3 MET 47 HG2 MET 47 39.723 36.949 27.470
355 HE1 MET 47 HE1 MET 47 36.436 38.207 26.134
356 HE2 MET 47 HE2 MET 47 37.303 37.172 27.279
357 HE3 MET 47 HE3 MET 47 37.499 38.941 27.349
358 H TYR 48 HN TYR 48 40.154 36.598 30.020
359 HA TYR 48 HA TYR 48 37.236 37.050 30.369
360 HB2 TYR 48 HB1 TYR 48 37.842 35.275 28.811
361 HB3 TYR 48 HB2 TYR 48 39.003 34.566 29.902
362 HD1 TYR 48 HD1 TYR 48 35.294 35.406 29.934
363 HD2 TYR 48 HD2 TYR 48 38.485 32.749 31.043
364 HE1 TYR 48 HE1 TYR 48 33.633 33.775 30.812
365 HE2 TYR 48 HE2 TYR 48 36.837 31.060 31.797
366 HH TYR 48 HH TYR 48 33.309 31.718 31.820
367 H MET 49 HN MET 49 39.843 35.156 31.927
368 HA MET 49 HA MET 49 38.509 34.783 34.443
369 HB2 MET 49 HB1 MET 49 41.368 34.328 33.457
370 HB3 MET 49 HB2 MET 49 40.832 33.938 35.094
371 HG2 MET 49 HG1 MET 49 38.869 32.678 33.768
372 HG3 MET 49 HG2 MET 49 40.066 32.707 32.475
373 HE1 MET 49 HE1 MET 49 40.357 30.550 36.535
374 HE2 MET 49 HE2 MET 49 40.101 32.283 36.367
375 HE3 MET 49 HE3 MET 49 38.859 31.147 35.800
376 H ALA 50 HN ALA 50 40.072 37.585 33.320
377 HA ALA 50 HA ALA 50 39.382 38.818 35.856
378 HB1 ALA 50 HB1 ALA 50 42.205 39.092 34.734
379 HB2 ALA 50 HB2 ALA 50 41.539 40.022 36.095
380 HB3 ALA 50 HB3 ALA 50 41.765 38.271 36.250
381 H THR 51 HN THR 51 38.922 41.041 35.595
382 HA THR 51 HA THR 51 39.490 42.313 32.986
383 HB THR 51 HB THR 51 37.194 41.354 32.814
384 HG1 THR 51 HG1 THR 51 37.526 44.154 32.814
385 HG21 THR 51 1HG2 THR 51 36.468 43.523 34.847
386 HG22 THR 51 2HG2 THR 51 35.343 42.547 33.892
387 HG23 THR 51 3HG2 THR 51 36.355 41.769 35.115
388 H TYR 52 HN TYR 52 38.931 42.608 36.422
389 HA TYR 52 HA TYR 52 38.999 45.400 36.793
390 HB2 TYR 52 HB1 TYR 52 38.616 43.499 38.438
391 HB3 TYR 52 HB2 TYR 52 40.354 43.252 38.467
392 HD1 TYR 52 HD1 TYR 52 37.544 45.435 39.431
393 HD2 TYR 52 HD2 TYR 52 41.820 44.879 39.627
394 HE1 TYR 52 HE1 TYR 52 37.681 47.176 41.189
395 HE2 TYR 52 HE2 TYR 52 41.962 46.607 41.399
396 HH TYR 52 HH TYR 52 39.074 48.399 42.567
397 H HIS 53 HN HIS 53 40.692 46.918 37.070
398 HA HIS 53 HA HIS 53 43.331 46.186 35.853
399 HB2 HIS 53 HB1 HIS 53 43.038 48.507 34.681
400 HB3 HIS 53 HB2 HIS 53 42.319 47.050 34.025
401 HD1 HIS 53 HD1 HIS 53 41.134 50.239 35.967
402 HD2 HIS 53 HD2 HIS 53 39.788 46.978 33.619
403 HE1 HIS 53 HE1 HIS 53 38.645 50.625 35.490
Start of MODEL 10
1 H SER 1 H SER 1 24.922 39.393 25.427
2 HA SER 1 HA SER 1 27.034 40.233 24.656
3 HB2 SER 1 HB1 SER 1 27.870 39.928 27.557
4 HB3 SER 1 HB2 SER 1 28.880 40.490 26.208
5 HG SER 1 HG SER 1 28.063 42.172 27.508
6 H MET 2 HN MET 2 28.735 38.675 24.135
7 HA MET 2 HA MET 2 28.306 35.926 25.266
8 HB2 MET 2 HB1 MET 2 27.744 36.078 22.904
9 HB3 MET 2 HB2 MET 2 29.320 36.774 22.530
10 HG2 MET 2 HG1 MET 2 29.109 34.325 22.019
11 HG3 MET 2 HG2 MET 2 30.465 34.750 23.042
12 HE1 MET 2 HE1 MET 2 26.893 33.212 22.878
13 HE2 MET 2 HE2 MET 2 26.625 32.632 24.532
14 HE3 MET 2 HE3 MET 2 26.657 34.372 24.205
15 H VAL 3 HN VAL 3 29.850 35.162 26.526
16 HA VAL 3 HA VAL 3 32.407 36.489 26.795
17 HB VAL 3 HB VAL 3 33.081 34.683 28.303
18 HG11 VAL 3 1HG1 VAL 3 30.313 35.818 28.865
19 HG12 VAL 3 2HG1 VAL 3 31.447 35.195 30.072
20 HG13 VAL 3 3HG1 VAL 3 31.865 36.638 29.135
21 HG21 VAL 3 3HG2 VAL 3 30.369 33.417 27.709
22 HG22 VAL 3 1HG2 VAL 3 31.964 32.718 27.368
23 HG23 VAL 3 2HG2 VAL 3 31.453 32.967 29.038
24 H ASN 4 HN ASN 4 34.389 36.034 26.123
25 HA ASN 4 HA ASN 4 34.950 33.686 24.353
26 HB2 ASN 4 HB1 ASN 4 36.497 36.267 24.873
27 HB3 ASN 4 HB2 ASN 4 37.255 34.830 24.213
28 HD21 ASN 4 2HD2 ASN 4 34.552 37.118 23.543
29 HD22 ASN 4 1HD2 ASN 4 34.533 36.762 21.826
30 H THR 5 HN THR 5 36.299 32.121 25.071
31 HA THR 5 HA THR 5 37.746 32.372 27.693
32 HB THR 5 HB THR 5 37.251 30.048 28.130
33 HG1 THR 5 HG1 THR 5 35.531 30.276 25.867
34 HG21 THR 5 1HG2 THR 5 35.980 31.775 29.153
35 HG22 THR 5 2HG2 THR 5 34.751 31.732 27.863
36 HG23 THR 5 3HG2 THR 5 34.988 30.322 28.920
37 H GLY 6 HN GLY 6 39.766 31.618 27.613
38 HA2 GLY 6 HA1 GLY 6 40.804 30.101 25.325
39 HA3 GLY 6 HA2 GLY 6 41.658 30.482 26.840
40 H LEU 7 HN LEU 7 38.554 29.183 27.536
41 HA LEU 7 HA LEU 7 39.747 26.852 28.707
42 HB2 LEU 7 HB1 LEU 7 36.891 27.804 28.342
43 HB3 LEU 7 HB2 LEU 7 37.195 26.200 28.957
44 HG LEU 7 HG LEU 7 38.353 28.690 30.263
45 HD11 LEU 7 1HD1 LEU 7 35.870 27.103 31.044
46 HD12 LEU 7 2HD1 LEU 7 36.567 28.471 31.935
47 HD13 LEU 7 3HD1 LEU 7 35.867 28.728 30.329
48 HD21 LEU 7 3HD2 LEU 7 38.037 25.813 31.259
49 HD22 LEU 7 1HD2 LEU 7 39.572 26.598 30.840
50 HD23 LEU 7 2HD2 LEU 7 38.642 27.177 32.223
51 HA PRO 8 HA PRO 8 39.593 24.156 25.224
52 HB2 PRO 8 HB1 PRO 8 39.814 21.714 26.305
53 HB3 PRO 8 HB2 PRO 8 40.989 22.974 26.725
54 HG2 PRO 8 HG1 PRO 8 38.476 22.204 28.270
55 HG3 PRO 8 HG2 PRO 8 40.177 22.209 28.837
56 HD2 PRO 8 HD1 PRO 8 38.485 24.366 29.160
57 HD3 PRO 8 HD2 PRO 8 40.238 24.527 28.946
58 H ALA 9 HN ALA 9 38.216 21.497 25.209
59 HA ALA 9 HA ALA 9 35.673 22.226 24.214
60 HB1 ALA 9 HB1 ALA 9 36.992 20.259 23.518
61 HB2 ALA 9 HB2 ALA 9 36.744 19.522 25.124
62 HB3 ALA 9 HB3 ALA 9 35.366 19.779 24.035
63 H GLY 10 HN GLY 10 36.278 22.538 27.335
64 HA2 GLY 10 HA1 GLY 10 33.486 22.044 28.224
65 HA3 GLY 10 HA2 GLY 10 34.844 21.624 29.286
66 H TRP 11 HN TRP 11 33.005 24.169 27.878
67 HA TRP 11 HA TRP 11 34.551 26.260 29.360
68 HB2 TRP 11 HB1 TRP 11 34.510 27.609 27.343
69 HB3 TRP 11 HB2 TRP 11 35.307 26.079 27.049
70 HD1 TRP 11 HD1 TRP 11 34.340 24.533 25.207
71 HE1 TRP 11 HE1 TRP 11 32.574 24.807 23.361
72 HE3 TRP 11 HE3 TRP 11 32.061 28.806 26.889
73 HZ2 TRP 11 HZ2 TRP 11 30.346 26.539 22.799
74 HZ3 TRP 11 HZ3 TRP 11 30.121 29.745 25.667
75 HH2 TRP 11 HH2 TRP 11 29.249 28.623 23.630
76 H GLU 12 HN GLU 12 31.327 25.268 28.433
77 HA GLU 12 HA GLU 12 30.253 27.983 28.565
78 HB2 GLU 12 HB1 GLU 12 29.578 25.970 27.055
79 HB3 GLU 12 HB2 GLU 12 28.569 25.458 28.390
80 HG2 GLU 12 HG1 GLU 12 28.427 28.254 27.172
81 HG3 GLU 12 HG2 GLU 12 27.582 26.885 26.468
82 H VAL 13 HN VAL 13 30.129 28.927 30.587
83 HA VAL 13 HA VAL 13 30.153 27.260 32.905
84 HB VAL 13 HB VAL 13 31.215 29.483 32.812
85 HG11 VAL 13 1HG1 VAL 13 28.508 30.653 33.565
86 HG12 VAL 13 2HG1 VAL 13 30.070 31.478 33.552
87 HG13 VAL 13 3HG1 VAL 13 29.373 30.926 32.033
88 HG21 VAL 13 3HG2 VAL 13 29.464 28.977 35.242
89 HG22 VAL 13 1HG2 VAL 13 30.991 28.142 34.866
90 HG23 VAL 13 2HG2 VAL 13 30.992 29.882 35.194
91 H ARG 14 HN ARG 14 28.738 26.437 34.158
92 HA ARG 14 HA ARG 14 25.898 27.302 34.127
93 HB2 ARG 14 HB1 ARG 14 27.124 24.522 34.267
94 HB3 ARG 14 HB2 ARG 14 25.406 24.811 34.459
95 HG2 ARG 14 HG1 ARG 14 26.972 25.319 31.886
96 HG3 ARG 14 HG2 ARG 14 26.109 23.851 32.299
97 HD2 ARG 14 HD1 ARG 14 24.500 24.754 31.064
98 HD3 ARG 14 HD2 ARG 14 24.031 25.467 32.581
99 HE ARG 14 HE ARG 14 25.513 26.772 30.327
100 HH11 ARG 14 1HH1 ARG 14 23.464 27.285 33.200
101 HH12 ARG 14 2HH1 ARG 14 23.102 28.920 32.719
102 HH21 ARG 14 1HH2 ARG 14 25.054 28.796 29.825
103 HH22 ARG 14 2HH2 ARG 14 23.883 29.735 30.739
104 H HIS 15 HN HIS 15 24.717 26.481 36.107
105 HA HIS 15 HA HIS 15 26.046 25.663 38.493
106 HB2 HIS 15 HB1 HIS 15 25.993 27.634 39.852
107 HB3 HIS 15 HB2 HIS 15 26.955 27.984 38.440
108 HD1 HIS 15 HD1 HIS 15 24.588 29.686 40.514
109 HD2 HIS 15 HD2 HIS 15 25.159 29.199 36.337
110 HE1 HIS 15 HE1 HIS 15 23.422 31.636 39.355
111 H SER 16 HN SER 16 24.383 26.266 40.539
112 HA SER 16 HA SER 16 21.579 26.176 39.605
113 HB2 SER 16 HB1 SER 16 22.576 23.946 41.400
114 HB3 SER 16 HB2 SER 16 20.972 24.174 40.702
115 HG SER 16 HG SER 16 23.377 23.417 39.426
116 H ASN 17 HN ASN 17 20.006 26.160 41.488
117 HA ASN 17 HA ASN 17 20.504 28.425 43.081
118 HB2 ASN 17 HB1 ASN 17 18.302 27.702 42.325
119 HB3 ASN 17 HB2 ASN 17 18.418 26.225 43.280
120 HD21 ASN 17 2HD2 ASN 17 17.252 26.329 45.159
121 HD22 ASN 17 1HD2 ASN 17 16.941 27.812 46.056
122 H SER 18 HN SER 18 20.516 24.969 44.127
123 HA SER 18 HA SER 18 21.500 25.670 46.825
124 HB2 SER 18 HB1 SER 18 21.397 22.905 45.625
125 HB3 SER 18 HB2 SER 18 21.284 23.370 47.320
126 HG SER 18 HG SER 18 19.300 22.691 46.256
127 H LYS 19 HN LYS 19 23.020 25.447 43.838
128 HA LYS 19 HA LYS 19 25.648 24.648 44.993
129 HB2 LYS 19 HB1 LYS 19 24.552 23.589 42.364
130 HB3 LYS 19 HB2 LYS 19 26.165 23.309 43.039
131 HG2 LYS 19 HG1 LYS 19 25.134 22.155 44.987
132 HG3 LYS 19 HG2 LYS 19 23.536 22.353 44.239
133 HD2 LYS 19 HD1 LYS 19 24.366 21.067 42.242
134 HD3 LYS 19 HD2 LYS 19 25.897 20.791 43.111
135 HE2 LYS 19 HE1 LYS 19 24.526 19.777 45.006
136 HE3 LYS 19 HE2 LYS 19 23.096 19.932 43.979
137 HZ1 LYS 19 HZ1 LYS 19 24.297 18.506 42.338
138 HZ2 LYS 19 HZ2 LYS 19 25.471 18.246 43.463
139 HZ3 LYS 19 HZ3 LYS 19 23.910 17.761 43.738
140 H ASN 20 HN ASN 20 25.593 27.019 45.065
141 HA ASN 20 HA ASN 20 25.518 28.678 42.754
142 HB2 ASN 20 HB1 ASN 20 26.615 29.074 45.572
143 HB3 ASN 20 HB2 ASN 20 26.559 30.360 44.367
144 HD21 ASN 20 2HD2 ASN 20 24.483 28.165 46.321
145 HD22 ASN 20 1HD2 ASN 20 22.993 29.014 45.950
146 H LEU 21 HN LEU 21 28.209 26.808 44.074
147 HA LEU 21 HA LEU 21 30.286 28.386 42.824
148 HB2 LEU 21 HB1 LEU 21 30.430 26.910 44.893
149 HB3 LEU 21 HB2 LEU 21 30.408 25.518 43.830
150 HG LEU 21 HG LEU 21 32.615 26.056 44.638
151 HD11 LEU 21 1HD1 LEU 21 32.605 26.622 41.668
152 HD12 LEU 21 2HD1 LEU 21 33.898 25.922 42.650
153 HD13 LEU 21 3HD1 LEU 21 32.393 25.022 42.413
154 HD21 LEU 21 3HD2 LEU 21 32.483 28.724 43.192
155 HD22 LEU 21 1HD2 LEU 21 32.400 28.479 44.946
156 HD23 LEU 21 2HD2 LEU 21 33.866 28.042 44.062
157 HA PRO 22 HA PRO 22 28.982 26.828 38.904
158 HB2 PRO 22 HB1 PRO 22 30.674 28.117 37.189
159 HB3 PRO 22 HB2 PRO 22 29.441 28.972 38.158
160 HG2 PRO 22 HG1 PRO 22 32.387 28.581 38.804
161 HG3 PRO 22 HG2 PRO 22 31.440 30.104 38.823
162 HD2 PRO 22 HD1 PRO 22 31.883 28.660 41.100
163 HD3 PRO 22 HD2 PRO 22 30.325 29.495 40.816
164 H TYR 23 HN TYR 23 29.594 25.746 36.948
165 HA TYR 23 HA TYR 23 32.192 24.333 36.855
166 HB2 TYR 23 HB1 TYR 23 31.193 22.214 36.411
167 HB3 TYR 23 HB2 TYR 23 30.546 22.793 37.930
168 HD1 TYR 23 HD2 TYR 23 29.786 22.036 34.398
169 HD2 TYR 23 HD1 TYR 23 28.125 23.454 38.101
170 HE1 TYR 23 HE2 TYR 23 27.518 21.424 33.600
171 HE2 TYR 23 HE1 TYR 23 25.831 22.951 37.254
172 HH TYR 23 HH TYR 23 24.554 22.086 35.491
173 H TYR 24 HN TYR 24 32.925 23.912 34.696
174 HA TYR 24 HA TYR 24 31.448 25.430 32.606
175 HB2 TYR 24 HB1 TYR 24 34.227 24.231 32.519
176 HB3 TYR 24 HB2 TYR 24 33.508 25.340 31.366
177 HD1 TYR 24 HD2 TYR 24 32.687 27.666 32.348
178 HD2 TYR 24 HD1 TYR 24 35.590 25.109 34.239
179 HE1 TYR 24 HE2 TYR 24 33.504 29.590 33.708
180 HE2 TYR 24 HE1 TYR 24 36.440 27.031 35.558
181 HH TYR 24 HH TYR 24 36.191 29.249 36.065
182 H PHE 25 HN PHE 25 30.101 24.390 31.282
183 HA PHE 25 HA PHE 25 29.968 21.486 31.226
184 HB2 PHE 25 HB1 PHE 25 28.005 22.919 31.393
185 HB3 PHE 25 HB2 PHE 25 28.376 23.683 29.863
186 HD1 PHE 25 HD1 PHE 25 27.103 20.607 31.474
187 HD2 PHE 25 HD2 PHE 25 27.845 22.627 27.742
188 HE1 PHE 25 HE1 PHE 25 25.555 19.044 30.321
189 HE2 PHE 25 HE2 PHE 25 26.254 21.099 26.607
190 HZ PHE 25 HZ PHE 25 25.123 19.294 27.885
191 H ASN 26 HN ASN 26 30.494 20.095 29.657
192 HA ASN 26 HA ASN 26 31.898 21.040 27.235
193 HB2 ASN 26 HB1 ASN 26 31.447 18.239 28.347
194 HB3 ASN 26 HB2 ASN 26 32.394 18.637 26.921
195 HD21 ASN 26 2HD2 ASN 26 34.580 18.339 27.389
196 HD22 ASN 26 1HD2 ASN 26 35.292 18.840 28.908
197 HA PRO 27 HA PRO 27 27.828 20.440 25.271
198 HB2 PRO 27 HB1 PRO 27 28.427 21.264 22.710
199 HB3 PRO 27 HB2 PRO 27 28.073 22.356 24.076
200 HG2 PRO 27 HG1 PRO 27 30.781 21.522 23.010
201 HG3 PRO 27 HG2 PRO 27 30.223 23.164 23.461
202 HD2 PRO 27 HD1 PRO 27 31.718 21.636 25.138
203 HD3 PRO 27 HD2 PRO 27 30.427 22.697 25.767
204 H ALA 28 HN ALA 28 30.786 19.372 23.512
205 HA ALA 28 HA ALA 28 29.287 17.326 22.106
206 HB1 ALA 28 HB1 ALA 28 32.223 18.159 22.048
207 HB2 ALA 28 HB2 ALA 28 31.416 17.113 20.861
208 HB3 ALA 28 HB3 ALA 28 30.918 18.803 21.024
209 H THR 29 HN THR 29 30.174 17.039 25.151
210 HA THR 29 HA THR 29 30.715 14.149 25.084
211 HB THR 29 HB THR 29 32.696 16.059 26.414
212 HG1 THR 29 HG1 THR 29 33.030 15.845 24.171
213 HG21 THR 29 1HG2 THR 29 32.662 13.004 26.242
214 HG22 THR 29 2HG2 THR 29 33.998 13.993 26.872
215 HG23 THR 29 3HG2 THR 29 32.456 13.967 27.722
216 H ARG 30 HN ARG 30 29.884 13.125 26.893
217 HA ARG 30 HA ARG 30 28.380 14.674 28.881
218 HB2 ARG 30 HB1 ARG 30 28.998 11.739 28.488
219 HB3 ARG 30 HB2 ARG 30 28.213 12.328 29.963
220 HG2 ARG 30 HG1 ARG 30 26.330 13.199 28.766
221 HG3 ARG 30 HG2 ARG 30 27.147 13.034 27.213
222 HD2 ARG 30 HD1 ARG 30 25.534 11.330 27.292
223 HD3 ARG 30 HD2 ARG 30 27.100 10.562 27.445
224 HE ARG 30 HE ARG 30 26.514 9.755 29.515
225 HH11 ARG 30 1HH1 ARG 30 24.070 12.210 28.667
226 HH12 ARG 30 2HH1 ARG 30 23.029 11.694 29.959
227 HH21 ARG 30 1HH2 ARG 30 25.007 9.046 31.004
228 HH22 ARG 30 2HH2 ARG 30 23.483 9.862 31.166
229 H GLU 31 HN GLU 31 29.683 16.002 29.925
230 HA GLU 31 HA GLU 31 31.510 15.196 31.975
231 HB2 GLU 31 HB1 GLU 31 32.895 14.822 29.850
232 HB3 GLU 31 HB2 GLU 31 32.721 16.523 29.500
233 HG2 GLU 31 HG1 GLU 31 34.898 15.989 30.501
234 HG3 GLU 31 HG2 GLU 31 34.017 17.078 31.552
235 H SER 32 HN SER 32 32.338 17.017 33.138
236 HA SER 32 HA SER 32 31.873 19.698 32.068
237 HB2 SER 32 HB1 SER 32 31.257 20.533 34.397
238 HB3 SER 32 HB2 SER 32 29.971 19.772 33.436
239 HG SER 32 HG SER 32 30.710 19.129 35.890
240 H ARG 33 HN ARG 33 33.605 20.932 32.359
241 HA ARG 33 HA ARG 33 35.898 19.879 33.856
242 HB2 ARG 33 HB1 ARG 33 36.049 20.866 31.531
243 HB3 ARG 33 HB2 ARG 33 35.652 22.432 32.224
244 HG2 ARG 33 HG1 ARG 33 38.040 22.277 31.957
245 HG3 ARG 33 HG2 ARG 33 37.661 22.284 33.683
246 HD2 ARG 33 HD1 ARG 33 39.472 20.776 33.087
247 HD3 ARG 33 HD2 ARG 33 38.141 19.922 33.890
248 HE ARG 33 HE ARG 33 38.949 19.755 31.012
249 HH11 ARG 33 1HH1 ARG 33 37.108 18.138 33.658
250 HH12 ARG 33 2HH1 ARG 33 37.031 16.694 32.680
251 HH21 ARG 33 1HH2 ARG 33 38.730 17.864 29.996
252 HH22 ARG 33 2HH2 ARG 33 37.858 16.532 30.756
253 H TRP 34 HN TRP 34 36.054 20.237 35.898
254 HA TRP 34 HA TRP 34 34.445 22.155 37.327
255 HB2 TRP 34 HB1 TRP 34 36.357 20.720 38.987
256 HB3 TRP 34 HB2 TRP 34 34.616 20.620 38.945
257 HD1 TRP 34 HD1 TRP 34 33.697 18.336 38.305
258 HE1 TRP 34 HE1 TRP 34 34.581 16.195 37.195
259 HE3 TRP 34 HE3 TRP 34 38.322 20.025 36.851
260 HZ2 TRP 34 HZ2 TRP 34 36.889 15.421 35.623
261 HZ3 TRP 34 HZ3 TRP 34 39.845 18.550 35.577
262 HH2 TRP 34 HH2 TRP 34 39.142 16.249 34.954
263 H GLU 35 HN GLU 35 37.724 22.243 36.248
264 HA GLU 35 HA GLU 35 38.573 24.554 37.813
265 HB2 GLU 35 HB1 GLU 35 39.411 21.702 38.385
266 HB3 GLU 35 HB2 GLU 35 40.649 22.937 38.461
267 HG2 GLU 35 HG1 GLU 35 38.075 23.084 40.087
268 HG3 GLU 35 HG2 GLU 35 39.566 22.374 40.656
269 HA PRO 36 HA PRO 36 40.701 25.224 34.160
270 HB2 PRO 36 HB1 PRO 36 43.079 26.454 34.790
271 HB3 PRO 36 HB2 PRO 36 41.447 27.172 34.928
272 HG2 PRO 36 HG1 PRO 36 43.072 25.840 37.116
273 HG3 PRO 36 HG2 PRO 36 42.232 27.421 37.174
274 HD2 PRO 36 HD1 PRO 36 41.094 25.191 38.179
275 HD3 PRO 36 HD2 PRO 36 40.101 26.385 37.290
276 HA PRO 37 HA PRO 37 43.374 21.558 33.737
277 HB2 PRO 37 HB1 PRO 37 42.802 20.939 31.148
278 HB3 PRO 37 HB2 PRO 37 41.583 20.807 32.435
279 HG2 PRO 37 HG1 PRO 37 41.955 23.051 30.458
280 HG3 PRO 37 HG2 PRO 37 40.440 22.215 30.961
281 HD2 PRO 37 HD1 PRO 37 41.290 24.612 32.037
282 HD3 PRO 37 HD2 PRO 37 40.256 23.427 32.885
283 H ALA 38 HN ALA 38 44.911 20.879 31.655
284 HA ALA 38 HA ALA 38 46.860 23.052 31.232
285 HB1 ALA 38 HB1 ALA 38 46.866 20.122 30.374
286 HB2 ALA 38 HB2 ALA 38 48.240 21.243 30.311
287 HB3 ALA 38 HB3 ALA 38 47.572 20.756 31.878
288 H ASP 39 HN ASP 39 44.485 21.224 29.312
289 HA ASP 39 HA ASP 39 45.333 22.095 26.741
290 HB2 ASP 39 HB1 ASP 39 43.863 20.115 27.456
291 HB3 ASP 39 HB2 ASP 39 42.523 21.249 27.541
292 H THR 40 HN THR 40 44.187 24.035 29.093
293 HA THR 40 HA THR 40 42.484 25.875 27.556
294 HB THR 40 HB THR 40 42.101 25.267 29.956
295 HG1 THR 40 HG1 THR 40 41.951 27.623 30.531
296 HG21 THR 40 1HG2 THR 40 43.382 26.220 31.706
297 HG22 THR 40 2HG2 THR 40 44.614 25.599 30.583
298 HG23 THR 40 3HG2 THR 40 44.240 27.324 30.605
299 H ASP 41 HN ASP 41 42.934 28.076 27.467
300 HA ASP 41 HA ASP 41 45.684 28.593 26.447
301 HB2 ASP 41 HB1 ASP 41 43.723 28.089 24.862
302 HB3 ASP 41 HB2 ASP 41 43.022 29.592 25.384
303 H MET 42 HN MET 42 45.448 29.444 28.960
304 HA MET 42 HA MET 42 44.693 31.757 29.877
305 HB2 MET 42 HB1 MET 42 47.577 30.834 29.845
306 HB3 MET 42 HB2 MET 42 46.957 32.116 30.885
307 HG2 MET 42 HG1 MET 42 46.399 30.503 32.362
308 HG3 MET 42 HG2 MET 42 45.054 30.131 31.297
309 HE1 MET 42 HE1 MET 42 48.932 27.858 32.057
310 HE2 MET 42 HE2 MET 42 48.976 29.522 31.445
311 HE3 MET 42 HE3 MET 42 48.189 29.158 32.999
312 H GLU 43 HN GLU 43 47.053 31.916 27.145
313 HA GLU 43 HA GLU 43 47.406 34.740 27.125
314 HB2 GLU 43 HB1 GLU 43 48.799 33.570 25.741
315 HB3 GLU 43 HB2 GLU 43 47.543 32.532 25.103
316 HG2 GLU 43 HG1 GLU 43 47.417 35.429 24.309
317 HG3 GLU 43 HG2 GLU 43 48.711 34.437 23.656
318 H THR 44 HN THR 44 44.716 32.824 25.786
319 HA THR 44 HA THR 44 43.103 35.194 25.000
320 HB THR 44 HB THR 44 42.556 32.181 25.080
321 HG1 THR 44 HG1 THR 44 44.037 33.464 23.457
322 HG21 THR 44 1HG2 THR 44 40.876 34.468 23.906
323 HG22 THR 44 2HG2 THR 44 40.594 32.732 23.636
324 HG23 THR 44 3HG2 THR 44 40.394 33.421 25.249
325 H LEU 45 HN LEU 45 43.668 33.258 27.839
326 HA LEU 45 HA LEU 45 40.906 33.596 28.752
327 HB2 LEU 45 HB1 LEU 45 42.830 31.532 28.906
328 HB3 LEU 45 HB2 LEU 45 42.770 32.172 30.537
329 HG LEU 45 HG LEU 45 40.953 30.433 29.047
330 HD11 LEU 45 1HD1 LEU 45 41.408 30.867 32.006
331 HD12 LEU 45 2HD1 LEU 45 40.565 29.499 31.251
332 HD13 LEU 45 3HD1 LEU 45 42.298 29.741 30.968
333 HD21 LEU 45 3HD2 LEU 45 38.950 31.036 30.354
334 HD22 LEU 45 1HD2 LEU 45 39.834 32.543 30.778
335 HD23 LEU 45 2HD2 LEU 45 39.357 32.231 29.115
336 H LYS 46 HN LYS 46 44.061 35.012 29.701
337 HA LYS 46 HA LYS 46 42.918 35.883 32.234
338 HB2 LYS 46 HB1 LYS 46 45.436 36.628 30.734
339 HB3 LYS 46 HB2 LYS 46 44.828 37.707 31.969
340 HG2 LYS 46 HG1 LYS 46 46.401 36.427 33.049
341 HG3 LYS 46 HG2 LYS 46 44.868 35.805 33.632
342 HD2 LYS 46 HD1 LYS 46 46.186 34.467 31.270
343 HD3 LYS 46 HD2 LYS 46 46.955 34.271 32.826
344 HE2 LYS 46 HE1 LYS 46 43.983 33.757 32.703
345 HE3 LYS 46 HE2 LYS 46 45.057 32.594 31.922
346 HZ1 LYS 46 HZ1 LYS 46 44.775 31.868 34.114
347 HZ2 LYS 46 HZ2 LYS 46 46.301 32.450 34.035
348 HZ3 LYS 46 HZ3 LYS 46 45.129 33.317 34.797
349 H MET 47 HN MET 47 42.414 36.943 28.988
350 HA MET 47 HA MET 47 41.143 39.487 29.641
351 HB2 MET 47 HB1 MET 47 40.572 37.608 27.326
352 HB3 MET 47 HB2 MET 47 40.133 39.310 27.448
353 HG2 MET 47 HG1 MET 47 42.968 38.223 27.276
354 HG3 MET 47 HG2 MET 47 42.066 38.979 25.979
355 HE1 MET 47 HE1 MET 47 44.176 40.495 25.548
356 HE2 MET 47 HE2 MET 47 44.951 41.468 26.814
357 HE3 MET 47 HE3 MET 47 44.981 39.698 26.917
358 H TYR 48 HN TYR 48 40.227 36.257 30.346
359 HA TYR 48 HA TYR 48 37.327 36.953 30.681
360 HB2 TYR 48 HB1 TYR 48 37.761 35.156 29.119
361 HB3 TYR 48 HB2 TYR 48 38.834 34.345 30.217
362 HD1 TYR 48 HD2 TYR 48 35.250 35.449 29.924
363 HD2 TYR 48 HD1 TYR 48 38.013 32.569 31.572
364 HE1 TYR 48 HE2 TYR 48 33.356 34.018 30.662
365 HE2 TYR 48 HE1 TYR 48 36.140 31.135 32.235
366 HH TYR 48 HH TYR 48 33.848 30.834 32.187
367 H MET 49 HN MET 49 39.956 35.071 32.188
368 HA MET 49 HA MET 49 38.686 34.852 34.789
369 HB2 MET 49 HB1 MET 49 41.452 34.131 33.709
370 HB3 MET 49 HB2 MET 49 40.933 33.811 35.365
371 HG2 MET 49 HG1 MET 49 39.905 32.604 32.803
372 HG3 MET 49 HG2 MET 49 40.662 31.819 34.151
373 HE1 MET 49 HE1 MET 49 37.910 31.772 36.910
374 HE2 MET 49 HE2 MET 49 39.603 31.444 36.492
375 HE3 MET 49 HE3 MET 49 39.038 33.116 36.686
376 H ALA 50 HN ALA 50 40.212 37.505 33.447
377 HA ALA 50 HA ALA 50 40.262 38.830 36.033
378 HB1 ALA 50 HB1 ALA 50 42.605 38.010 35.823
379 HB2 ALA 50 HB2 ALA 50 42.749 38.832 34.256
380 HB3 ALA 50 HB3 ALA 50 42.509 39.773 35.737
381 H THR 51 HN THR 51 40.670 41.313 35.566
382 HA THR 51 HA THR 51 39.752 42.154 32.868
383 HB THR 51 HB THR 51 37.769 41.875 34.454
384 HG1 THR 51 HG1 THR 51 36.975 43.994 33.804
385 HG21 THR 51 1HG2 THR 51 37.293 43.651 36.035
386 HG22 THR 51 2HG2 THR 51 38.812 42.872 36.500
387 HG23 THR 51 3HG2 THR 51 38.838 44.454 35.687
388 H TYR 52 HN TYR 52 40.119 44.416 32.450
389 HA TYR 52 HA TYR 52 42.574 45.410 33.796
390 HB2 TYR 52 HB1 TYR 52 42.522 45.026 31.328
391 HB3 TYR 52 HB2 TYR 52 41.293 46.278 31.186
392 HD1 TYR 52 HD1 TYR 52 44.831 45.535 31.855
393 HD2 TYR 52 HD2 TYR 52 41.893 48.672 31.591
394 HE1 TYR 52 HE1 TYR 52 46.650 47.213 31.774
395 HE2 TYR 52 HE2 TYR 52 43.715 50.373 31.492
396 HH TYR 52 HH TYR 52 47.184 49.415 31.476
397 H HIS 53 HN HIS 53 42.560 47.127 35.056
398 HA HIS 53 HA HIS 53 40.142 48.590 35.711
399 HB2 HIS 53 HB1 HIS 53 41.761 47.857 37.386
400 HB3 HIS 53 HB2 HIS 53 43.031 48.815 36.632
401 HD1 HIS 53 HD1 HIS 53 43.565 50.786 38.193
402 HD2 HIS 53 HD2 HIS 53 39.462 49.750 37.965
403 HE1 HIS 53 HE1 HIS 53 42.292 52.417 39.705
Start of MODEL 11
1 H SER 1 H SER 1 27.600 42.338 30.709
2 HA SER 1 HA SER 1 26.210 40.550 31.005
3 HB2 SER 1 HB1 SER 1 26.450 40.842 27.996
4 HB3 SER 1 HB2 SER 1 24.996 40.494 28.952
5 HG SER 1 HG SER 1 25.580 42.762 28.160
6 H MET 2 HN MET 2 28.321 39.647 28.202
7 HA MET 2 HA MET 2 28.153 36.777 29.003
8 HB2 MET 2 HB1 MET 2 28.904 38.196 26.413
9 HB3 MET 2 HB2 MET 2 29.086 36.462 26.661
10 HG2 MET 2 HG1 MET 2 27.085 36.667 25.507
11 HG3 MET 2 HG2 MET 2 26.612 36.337 27.170
12 HE1 MET 2 HE1 MET 2 24.220 36.913 26.733
13 HE2 MET 2 HE2 MET 2 23.638 38.392 25.946
14 HE3 MET 2 HE3 MET 2 24.588 37.213 25.013
15 H VAL 3 HN VAL 3 30.213 35.539 28.439
16 HA VAL 3 HA VAL 3 32.724 37.092 28.932
17 HB VAL 3 HB VAL 3 33.606 35.173 30.247
18 HG11 VAL 3 1HG1 VAL 3 31.223 36.580 31.526
19 HG12 VAL 3 2HG1 VAL 3 32.637 35.901 32.358
20 HG13 VAL 3 3HG1 VAL 3 32.832 37.295 31.283
21 HG21 VAL 3 3HG2 VAL 3 30.692 34.300 30.523
22 HG22 VAL 3 1HG2 VAL 3 31.967 33.397 29.673
23 HG23 VAL 3 2HG2 VAL 3 32.070 33.649 31.416
24 H ASN 4 HN ASN 4 34.436 36.585 27.726
25 HA ASN 4 HA ASN 4 34.285 34.276 25.837
26 HB2 ASN 4 HB1 ASN 4 36.039 36.760 25.856
27 HB3 ASN 4 HB2 ASN 4 36.293 35.384 24.795
28 HD21 ASN 4 2HD2 ASN 4 35.289 35.432 22.815
29 HD22 ASN 4 1HD2 ASN 4 33.931 36.461 22.425
30 H THR 5 HN THR 5 35.450 32.474 26.340
31 HA THR 5 HA THR 5 37.536 32.571 28.550
32 HB THR 5 HB THR 5 36.939 30.257 28.971
33 HG1 THR 5 HG1 THR 5 35.757 30.151 26.840
34 HG21 THR 5 1HG2 THR 5 34.884 30.728 30.237
35 HG22 THR 5 2HG2 THR 5 36.093 32.014 30.355
36 HG23 THR 5 3HG2 THR 5 34.658 32.243 29.329
37 H GLY 6 HN GLY 6 39.446 32.235 27.725
38 HA2 GLY 6 HA1 GLY 6 40.004 30.505 25.506
39 HA3 GLY 6 HA2 GLY 6 41.183 31.088 26.669
40 H LEU 7 HN LEU 7 38.240 29.060 27.003
41 HA LEU 7 HA LEU 7 39.699 27.105 28.661
42 HB2 LEU 7 HB1 LEU 7 36.856 27.883 28.300
43 HB3 LEU 7 HB2 LEU 7 37.168 26.227 28.782
44 HG LEU 7 HG LEU 7 38.238 28.646 30.273
45 HD11 LEU 7 1HD1 LEU 7 35.871 26.850 30.976
46 HD12 LEU 7 2HD1 LEU 7 36.460 28.238 31.912
47 HD13 LEU 7 3HD1 LEU 7 35.734 28.490 30.317
48 HD21 LEU 7 3HD2 LEU 7 38.112 25.736 31.163
49 HD22 LEU 7 1HD2 LEU 7 39.595 26.614 30.720
50 HD23 LEU 7 2HD2 LEU 7 38.665 27.111 32.133
51 HA PRO 8 HA PRO 8 39.796 24.080 25.373
52 HB2 PRO 8 HB1 PRO 8 39.496 21.680 26.524
53 HB3 PRO 8 HB2 PRO 8 40.816 22.765 27.011
54 HG2 PRO 8 HG1 PRO 8 38.095 22.522 28.354
55 HG3 PRO 8 HG2 PRO 8 39.708 22.242 29.084
56 HD2 PRO 8 HD1 PRO 8 38.557 24.656 29.263
57 HD3 PRO 8 HD2 PRO 8 40.285 24.547 28.898
58 H ALA 9 HN ALA 9 38.199 21.706 24.947
59 HA ALA 9 HA ALA 9 35.751 22.699 23.878
60 HB1 ALA 9 HB1 ALA 9 36.606 19.863 24.632
61 HB2 ALA 9 HB2 ALA 9 35.241 20.282 23.577
62 HB3 ALA 9 HB3 ALA 9 36.901 20.668 23.074
63 H GLY 10 HN GLY 10 36.469 21.250 27.038
64 HA2 GLY 10 HA1 GLY 10 33.713 21.382 28.005
65 HA3 GLY 10 HA2 GLY 10 35.170 20.997 28.955
66 H TRP 11 HN TRP 11 33.831 23.782 27.133
67 HA TRP 11 HA TRP 11 34.672 25.595 29.358
68 HB2 TRP 11 HB1 TRP 11 34.747 27.347 27.818
69 HB3 TRP 11 HB2 TRP 11 35.561 26.008 27.039
70 HD1 TRP 11 HD1 TRP 11 34.242 24.905 24.923
71 HE1 TRP 11 HE1 TRP 11 32.547 25.916 23.272
72 HE3 TRP 11 HE3 TRP 11 32.815 29.016 27.631
73 HZ2 TRP 11 HZ2 TRP 11 30.764 28.172 23.171
74 HZ3 TRP 11 HZ3 TRP 11 31.131 30.593 26.717
75 HH2 TRP 11 HH2 TRP 11 30.078 30.168 24.509
76 H GLU 12 HN GLU 12 31.733 24.303 28.043
77 HA GLU 12 HA GLU 12 30.240 26.753 28.179
78 HB2 GLU 12 HB1 GLU 12 29.617 24.947 26.653
79 HB3 GLU 12 HB2 GLU 12 29.245 23.887 28.013
80 HG2 GLU 12 HG1 GLU 12 27.206 24.862 27.035
81 HG3 GLU 12 HG2 GLU 12 27.406 25.342 28.719
82 H VAL 13 HN VAL 13 30.031 27.783 30.161
83 HA VAL 13 HA VAL 13 30.077 26.249 32.577
84 HB VAL 13 HB VAL 13 30.901 28.530 32.523
85 HG11 VAL 13 1HG1 VAL 13 28.038 29.533 32.693
86 HG12 VAL 13 2HG1 VAL 13 29.529 30.479 32.789
87 HG13 VAL 13 3HG1 VAL 13 29.097 29.682 31.272
88 HG21 VAL 13 3HG2 VAL 13 30.218 29.089 34.791
89 HG22 VAL 13 1HG2 VAL 13 28.776 28.060 34.651
90 HG23 VAL 13 2HG2 VAL 13 30.397 27.334 34.603
91 H ARG 14 HN ARG 14 28.640 25.100 33.477
92 HA ARG 14 HA ARG 14 25.775 25.868 33.352
93 HB2 ARG 14 HB1 ARG 14 27.140 23.201 33.907
94 HB3 ARG 14 HB2 ARG 14 25.426 23.457 34.193
95 HG2 ARG 14 HG1 ARG 14 26.698 23.826 31.436
96 HG3 ARG 14 HG2 ARG 14 26.104 22.289 32.043
97 HD2 ARG 14 HD1 ARG 14 24.353 23.074 30.749
98 HD3 ARG 14 HD2 ARG 14 23.833 23.364 32.401
99 HE ARG 14 HE ARG 14 24.797 25.414 30.419
100 HH11 ARG 14 1HH1 ARG 14 22.786 24.814 33.314
101 HH12 ARG 14 2HH1 ARG 14 22.354 26.501 33.408
102 HH21 ARG 14 1HH2 ARG 14 24.018 27.373 30.472
103 HH22 ARG 14 2HH2 ARG 14 22.950 27.937 31.748
104 H HIS 15 HN HIS 15 24.728 26.265 35.203
105 HA HIS 15 HA HIS 15 26.035 26.131 37.840
106 HB2 HIS 15 HB1 HIS 15 26.095 28.582 38.082
107 HB3 HIS 15 HB2 HIS 15 27.119 28.055 36.766
108 HD1 HIS 15 HD1 HIS 15 23.318 29.095 36.882
109 HD2 HIS 15 HD2 HIS 15 26.981 29.762 34.845
110 HE1 HIS 15 HE1 HIS 15 22.830 30.666 34.933
111 H SER 16 HN SER 16 24.609 27.596 39.398
112 HA SER 16 HA SER 16 21.682 27.318 38.796
113 HB2 SER 16 HB1 SER 16 23.020 26.614 41.423
114 HB3 SER 16 HB2 SER 16 21.323 26.367 40.988
115 HG SER 16 HG SER 16 23.651 25.010 40.143
116 H ASN 17 HN ASN 17 20.380 28.462 40.531
117 HA ASN 17 HA ASN 17 21.746 30.884 41.658
118 HB2 ASN 17 HB1 ASN 17 18.861 30.487 40.771
119 HB3 ASN 17 HB2 ASN 17 19.433 31.874 41.697
120 HD21 ASN 17 2HD2 ASN 17 18.187 32.229 39.194
121 HD22 ASN 17 1HD2 ASN 17 19.392 32.807 38.070
122 H SER 18 HN SER 18 19.588 28.100 42.325
123 HA SER 18 HA SER 18 19.405 28.689 45.195
124 HB2 SER 18 HB1 SER 18 18.768 26.201 43.576
125 HB3 SER 18 HB2 SER 18 18.316 26.480 45.266
126 HG SER 18 HG SER 18 16.666 27.006 43.666
127 H LYS 19 HN LYS 19 21.912 27.580 43.322
128 HA LYS 19 HA LYS 19 23.544 26.915 45.678
129 HB2 LYS 19 HB1 LYS 19 23.382 25.277 43.104
130 HB3 LYS 19 HB2 LYS 19 24.838 25.294 44.068
131 HG2 LYS 19 HG1 LYS 19 22.118 24.472 45.167
132 HG3 LYS 19 HG2 LYS 19 23.235 23.353 44.402
133 HD2 LYS 19 HD1 LYS 19 23.913 24.973 46.898
134 HD3 LYS 19 HD2 LYS 19 23.337 23.295 46.867
135 HE2 LYS 19 HE1 LYS 19 25.269 22.637 45.470
136 HE3 LYS 19 HE2 LYS 19 25.900 24.272 45.539
137 HZ1 LYS 19 HZ1 LYS 19 25.445 22.619 47.958
138 HZ2 LYS 19 HZ2 LYS 19 26.859 22.666 47.165
139 HZ3 LYS 19 HZ3 LYS 19 26.308 24.032 47.856
140 H ASN 20 HN ASN 20 25.903 27.326 45.116
141 HA ASN 20 HA ASN 20 26.267 29.219 42.858
142 HB2 ASN 20 HB1 ASN 20 25.620 30.485 44.915
143 HB3 ASN 20 HB2 ASN 20 27.087 29.897 45.698
144 HD21 ASN 20 2HD2 ASN 20 27.005 32.560 45.626
145 HD22 ASN 20 1HD2 ASN 20 28.036 33.178 44.330
146 H LEU 21 HN LEU 21 27.204 27.045 42.172
147 HA LEU 21 HA LEU 21 30.068 27.352 42.257
148 HB2 LEU 21 HB1 LEU 21 29.431 25.890 44.287
149 HB3 LEU 21 HB2 LEU 21 29.012 24.644 43.137
150 HG LEU 21 HG LEU 21 31.171 24.332 44.202
151 HD11 LEU 21 1HD1 LEU 21 31.723 24.863 41.280
152 HD12 LEU 21 2HD1 LEU 21 32.505 23.703 42.351
153 HD13 LEU 21 3HD1 LEU 21 30.812 23.461 41.884
154 HD21 LEU 21 3HD2 LEU 21 32.165 26.857 42.829
155 HD22 LEU 21 1HD2 LEU 21 31.803 26.684 44.559
156 HD23 LEU 21 2HD2 LEU 21 33.108 25.736 43.821
157 HA PRO 22 HA PRO 22 28.707 25.995 38.184
158 HB2 PRO 22 HB1 PRO 22 30.774 26.851 36.669
159 HB3 PRO 22 HB2 PRO 22 29.766 28.018 37.571
160 HG2 PRO 22 HG1 PRO 22 32.444 26.821 38.391
161 HG3 PRO 22 HG2 PRO 22 31.962 28.547 38.391
162 HD2 PRO 22 HD1 PRO 22 31.817 26.941 40.638
163 HD3 PRO 22 HD2 PRO 22 30.693 28.291 40.328
164 H TYR 23 HN TYR 23 29.337 24.615 36.393
165 HA TYR 23 HA TYR 23 31.954 23.316 36.539
166 HB2 TYR 23 HB1 TYR 23 31.230 21.114 36.027
167 HB3 TYR 23 HB2 TYR 23 30.492 21.614 37.533
168 HD1 TYR 23 HD2 TYR 23 28.023 22.230 37.577
169 HD2 TYR 23 HD1 TYR 23 29.900 20.431 34.143
170 HE1 TYR 23 HE2 TYR 23 25.799 21.448 36.770
171 HE2 TYR 23 HE1 TYR 23 27.681 19.632 33.343
172 HH TYR 23 HH TYR 23 25.456 19.433 33.824
173 H TYR 24 HN TYR 24 32.953 23.313 34.620
174 HA TYR 24 HA TYR 24 31.562 24.573 32.337
175 HB2 TYR 24 HB1 TYR 24 34.476 23.793 32.600
176 HB3 TYR 24 HB2 TYR 24 33.758 24.909 31.448
177 HD1 TYR 24 HD2 TYR 24 32.717 27.088 32.347
178 HD2 TYR 24 HD1 TYR 24 35.291 24.567 34.703
179 HE1 TYR 24 HE2 TYR 24 33.070 28.952 33.965
180 HE2 TYR 24 HE1 TYR 24 35.644 26.417 36.321
181 HH TYR 24 HH TYR 24 35.161 28.566 36.874
182 H PHE 25 HN PHE 25 30.581 23.345 30.865
183 HA PHE 25 HA PHE 25 31.020 20.430 30.903
184 HB2 PHE 25 HB1 PHE 25 28.821 21.476 31.404
185 HB3 PHE 25 HB2 PHE 25 28.791 22.177 29.796
186 HD1 PHE 25 HD1 PHE 25 29.160 18.822 31.488
187 HD2 PHE 25 HD2 PHE 25 27.664 21.003 28.075
188 HE1 PHE 25 HE1 PHE 25 27.994 16.785 30.696
189 HE2 PHE 25 HE2 PHE 25 26.457 18.974 27.320
190 HZ PHE 25 HZ PHE 25 26.629 16.861 28.613
191 H ASN 26 HN ASN 26 31.448 19.157 29.195
192 HA ASN 26 HA ASN 26 32.011 20.360 26.530
193 HB2 ASN 26 HB1 ASN 26 33.800 19.015 27.523
194 HB3 ASN 26 HB2 ASN 26 32.720 17.637 27.664
195 HD21 ASN 26 2HD2 ASN 26 35.194 17.544 26.218
196 HD22 ASN 26 1HD2 ASN 26 34.780 17.324 24.523
197 HA PRO 27 HA PRO 27 27.937 18.453 25.668
198 HB2 PRO 27 HB1 PRO 27 27.328 19.786 23.364
199 HB3 PRO 27 HB2 PRO 27 27.245 20.543 24.975
200 HG2 PRO 27 HG1 PRO 27 29.500 20.711 22.952
201 HG3 PRO 27 HG2 PRO 27 28.721 22.050 23.857
202 HD2 PRO 27 HD1 PRO 27 31.062 20.891 24.671
203 HD3 PRO 27 HD2 PRO 27 29.854 21.506 25.835
204 H ALA 28 HN ALA 28 30.808 18.391 23.571
205 HA ALA 28 HA ALA 28 29.514 16.743 21.541
206 HB1 ALA 28 HB1 ALA 28 32.433 17.534 22.010
207 HB2 ALA 28 HB2 ALA 28 31.805 16.720 20.564
208 HB3 ALA 28 HB3 ALA 28 31.272 18.368 20.949
209 H THR 29 HN THR 29 31.584 16.260 24.337
210 HA THR 29 HA THR 29 30.921 13.354 24.382
211 HB THR 29 HB THR 29 33.652 14.528 25.085
212 HG1 THR 29 HG1 THR 29 32.893 12.767 22.970
213 HG21 THR 29 1HG2 THR 29 32.653 11.642 25.026
214 HG22 THR 29 2HG2 THR 29 34.330 12.167 25.312
215 HG23 THR 29 3HG2 THR 29 33.069 12.585 26.475
216 H ARG 30 HN ARG 30 29.543 13.335 26.107
217 HA ARG 30 HA ARG 30 29.228 15.418 27.932
218 HB2 ARG 30 HB1 ARG 30 28.455 12.514 28.383
219 HB3 ARG 30 HB2 ARG 30 27.884 13.896 29.313
220 HG2 ARG 30 HG1 ARG 30 26.800 14.844 27.312
221 HG3 ARG 30 HG2 ARG 30 27.384 13.478 26.347
222 HD2 ARG 30 HD1 ARG 30 26.145 11.919 27.917
223 HD3 ARG 30 HD2 ARG 30 25.489 13.336 28.740
224 HE ARG 30 HE ARG 30 23.976 13.640 27.020
225 HH11 ARG 30 1HH1 ARG 30 26.467 11.376 25.831
226 HH12 ARG 30 2HH1 ARG 30 25.611 11.192 24.303
227 HH21 ARG 30 1HH2 ARG 30 22.911 13.129 25.039
228 HH22 ARG 30 2HH2 ARG 30 23.772 12.102 23.899
229 H GLU 31 HN GLU 31 30.757 16.170 29.107
230 HA GLU 31 HA GLU 31 32.080 14.748 31.312
231 HB2 GLU 31 HB1 GLU 31 33.447 13.996 29.493
232 HB3 GLU 31 HB2 GLU 31 33.499 15.596 28.748
233 HG2 GLU 31 HG1 GLU 31 34.964 16.464 30.344
234 HG3 GLU 31 HG2 GLU 31 34.654 15.144 31.486
235 H SER 32 HN SER 32 33.239 16.235 32.741
236 HA SER 32 HA SER 32 32.675 19.126 32.222
237 HB2 SER 32 HB1 SER 32 32.182 19.451 34.560
238 HB3 SER 32 HB2 SER 32 31.080 18.270 33.850
239 HG SER 32 HG SER 32 32.070 17.858 36.017
240 H ARG 33 HN ARG 33 33.904 20.642 33.402
241 HA ARG 33 HA ARG 33 36.580 19.908 34.394
242 HB2 ARG 33 HB1 ARG 33 36.352 20.735 31.834
243 HB3 ARG 33 HB2 ARG 33 36.154 22.302 32.580
244 HG2 ARG 33 HG1 ARG 33 38.440 22.010 31.931
245 HG3 ARG 33 HG2 ARG 33 38.346 22.062 33.695
246 HD2 ARG 33 HD1 ARG 33 39.827 20.241 32.294
247 HD3 ARG 33 HD2 ARG 33 39.269 20.046 33.944
248 HE ARG 33 HE ARG 33 37.417 18.694 33.214
249 HH11 ARG 33 1HH1 ARG 33 39.884 19.006 30.613
250 HH12 ARG 33 2HH1 ARG 33 39.271 17.551 29.876
251 HH21 ARG 33 1HH2 ARG 33 36.680 17.077 32.115
252 HH22 ARG 33 2HH2 ARG 33 37.463 16.497 30.650
253 H TRP 34 HN TRP 34 37.400 21.495 35.854
254 HA TRP 34 HA TRP 34 35.092 22.589 37.403
255 HB2 TRP 34 HB1 TRP 34 37.627 21.397 38.521
256 HB3 TRP 34 HB2 TRP 34 36.014 21.423 39.212
257 HD1 TRP 34 HD1 TRP 34 34.236 19.621 38.154
258 HE1 TRP 34 HE1 TRP 34 34.550 17.412 36.896
259 HE3 TRP 34 HE3 TRP 34 39.192 20.068 36.979
260 HZ2 TRP 34 HZ2 TRP 34 36.670 16.089 35.405
261 HZ3 TRP 34 HZ3 TRP 34 40.332 18.347 35.617
262 HH2 TRP 34 HH2 TRP 34 39.077 16.344 34.822
263 H GLU 35 HN GLU 35 38.305 23.329 36.409
264 HA GLU 35 HA GLU 35 38.289 26.099 37.281
265 HB2 GLU 35 HB1 GLU 35 40.449 24.150 38.223
266 HB3 GLU 35 HB2 GLU 35 40.538 25.903 38.372
267 HG2 GLU 35 HG1 GLU 35 38.506 25.843 39.840
268 HG3 GLU 35 HG2 GLU 35 38.575 24.071 39.799
269 HA PRO 36 HA PRO 36 40.644 26.317 33.428
270 HB2 PRO 36 HB1 PRO 36 42.938 27.580 34.937
271 HB3 PRO 36 HB2 PRO 36 42.245 28.038 33.352
272 HG2 PRO 36 HG1 PRO 36 41.533 29.403 35.576
273 HG3 PRO 36 HG2 PRO 36 40.268 28.917 34.400
274 HD2 PRO 36 HD1 PRO 36 41.025 27.600 37.015
275 HD3 PRO 36 HD2 PRO 36 39.396 27.934 36.349
276 HA PRO 37 HA PRO 37 43.383 22.685 34.072
277 HB2 PRO 37 HB1 PRO 37 42.852 21.321 31.853
278 HB3 PRO 37 HB2 PRO 37 41.565 21.640 33.037
279 HG2 PRO 37 HG1 PRO 37 42.163 23.172 30.497
280 HG3 PRO 37 HG2 PRO 37 40.603 22.499 31.039
281 HD2 PRO 37 HD1 PRO 37 41.360 25.122 31.518
282 HD3 PRO 37 HD2 PRO 37 40.258 24.192 32.581
283 H ALA 38 HN ALA 38 44.887 21.570 31.910
284 HA ALA 38 HA ALA 38 46.840 23.768 31.376
285 HB1 ALA 38 HB1 ALA 38 47.156 20.738 31.424
286 HB2 ALA 38 HB2 ALA 38 48.456 21.923 31.192
287 HB3 ALA 38 HB3 ALA 38 47.588 21.856 32.737
288 H ASP 39 HN ASP 39 44.881 21.357 29.660
289 HA ASP 39 HA ASP 39 46.113 21.825 27.074
290 HB2 ASP 39 HB1 ASP 39 44.958 19.722 28.022
291 HB3 ASP 39 HB2 ASP 39 43.433 20.509 27.626
292 H THR 40 HN THR 40 44.585 23.973 28.715
293 HA THR 40 HA THR 40 42.449 25.040 27.082
294 HB THR 40 HB THR 40 42.850 24.942 29.604
295 HG1 THR 40 HG1 THR 40 42.000 27.391 28.547
296 HG21 THR 40 1HG2 THR 40 44.272 27.584 29.124
297 HG22 THR 40 2HG2 THR 40 43.802 26.867 30.680
298 HG23 THR 40 3HG2 THR 40 45.056 26.090 29.692
299 H ASP 41 HN ASP 41 42.746 27.832 26.916
300 HA ASP 41 HA ASP 41 44.748 27.913 24.676
301 HB2 ASP 41 HB1 ASP 41 42.427 28.660 24.220
302 HB3 ASP 41 HB2 ASP 41 42.511 29.774 25.580
303 H MET 42 HN MET 42 43.573 29.779 27.325
304 HA MET 42 HA MET 42 44.397 30.745 29.077
305 HB2 MET 42 HB1 MET 42 46.288 29.039 28.852
306 HB3 MET 42 HB2 MET 42 47.289 30.434 28.384
307 HG2 MET 42 HG1 MET 42 46.812 31.535 30.472
308 HG3 MET 42 HG2 MET 42 45.452 30.448 30.826
309 HE1 MET 42 HE1 MET 42 49.925 29.358 31.170
310 HE2 MET 42 HE2 MET 42 49.155 29.604 29.590
311 HE3 MET 42 HE3 MET 42 49.293 30.957 30.742
312 H GLU 43 HN GLU 43 46.056 31.916 26.087
313 HA GLU 43 HA GLU 43 46.529 34.560 27.132
314 HB2 GLU 43 HB1 GLU 43 47.637 33.631 25.097
315 HB3 GLU 43 HB2 GLU 43 46.089 33.662 24.255
316 HG2 GLU 43 HG1 GLU 43 47.209 35.564 23.488
317 HG3 GLU 43 HG2 GLU 43 46.067 36.218 24.649
318 H THR 44 HN THR 44 43.853 33.303 25.113
319 HA THR 44 HA THR 44 42.024 35.567 25.299
320 HB THR 44 HB THR 44 41.419 32.558 25.272
321 HG1 THR 44 HG1 THR 44 42.726 32.667 23.651
322 HG21 THR 44 1HG2 THR 44 39.471 33.095 23.880
323 HG22 THR 44 2HG2 THR 44 39.369 33.977 25.407
324 HG23 THR 44 3HG2 THR 44 39.874 34.817 23.918
325 H LEU 45 HN LEU 45 43.151 33.317 27.660
326 HA LEU 45 HA LEU 45 40.584 33.400 29.120
327 HB2 LEU 45 HB1 LEU 45 42.135 31.260 28.493
328 HB3 LEU 45 HB2 LEU 45 42.971 31.825 29.944
329 HG LEU 45 HG LEU 45 41.120 31.628 31.252
330 HD11 LEU 45 1HD1 LEU 45 39.313 30.347 29.275
331 HD12 LEU 45 2HD1 LEU 45 39.048 30.674 30.962
332 HD13 LEU 45 3HD1 LEU 45 39.172 32.028 29.845
333 HD21 LEU 45 3HD2 LEU 45 41.379 28.962 29.907
334 HD22 LEU 45 1HD2 LEU 45 42.623 29.698 30.934
335 HD23 LEU 45 2HD2 LEU 45 41.023 29.321 31.590
336 H LYS 46 HN LYS 46 43.865 34.764 29.293
337 HA LYS 46 HA LYS 46 43.724 35.587 32.037
338 HB2 LYS 46 HB1 LYS 46 44.951 37.155 29.737
339 HB3 LYS 46 HB2 LYS 46 45.323 37.324 31.444
340 HG2 LYS 46 HG1 LYS 46 46.055 35.003 29.631
341 HG3 LYS 46 HG2 LYS 46 47.092 36.241 30.266
342 HD2 LYS 46 HD1 LYS 46 47.580 34.308 31.449
343 HD3 LYS 46 HD2 LYS 46 46.766 35.389 32.572
344 HE2 LYS 46 HE1 LYS 46 44.694 34.002 32.394
345 HE3 LYS 46 HE2 LYS 46 45.466 32.990 31.177
346 HZ1 LYS 46 HZ1 LYS 46 46.275 33.301 34.029
347 HZ2 LYS 46 HZ2 LYS 46 45.687 31.940 33.344
348 HZ3 LYS 46 HZ3 LYS 46 47.187 32.508 32.952
349 H MET 47 HN MET 47 42.433 37.128 29.100
350 HA MET 47 HA MET 47 41.166 39.305 30.483
351 HB2 MET 47 HB1 MET 47 40.194 39.902 28.442
352 HB3 MET 47 HB2 MET 47 41.801 39.275 28.048
353 HG2 MET 47 HG1 MET 47 40.973 37.315 27.134
354 HG3 MET 47 HG2 MET 47 39.338 37.552 27.774
355 HE1 MET 47 HE1 MET 47 40.223 36.883 24.689
356 HE2 MET 47 HE2 MET 47 38.597 36.848 25.414
357 HE3 MET 47 HE3 MET 47 38.895 37.771 23.925
358 H TYR 48 HN TYR 48 40.482 36.220 31.067
359 HA TYR 48 HA TYR 48 37.630 36.801 31.809
360 HB2 TYR 48 HB1 TYR 48 37.606 35.148 30.098
361 HB3 TYR 48 HB2 TYR 48 38.990 34.297 30.711
362 HD1 TYR 48 HD1 TYR 48 35.443 35.170 31.615
363 HD2 TYR 48 HD2 TYR 48 38.787 32.531 32.220
364 HE1 TYR 48 HE1 TYR 48 33.955 33.543 32.768
365 HE2 TYR 48 HE2 TYR 48 37.289 30.856 33.262
366 HH TYR 48 HH TYR 48 33.788 31.461 33.752
367 H MET 49 HN MET 49 40.581 34.989 32.635
368 HA MET 49 HA MET 49 39.898 34.267 35.325
369 HB2 MET 49 HB1 MET 49 42.454 34.419 33.680
370 HB3 MET 49 HB2 MET 49 42.480 33.964 35.391
371 HG2 MET 49 HG1 MET 49 41.005 32.059 34.916
372 HG3 MET 49 HG2 MET 49 40.866 32.570 33.233
373 HE1 MET 49 HE1 MET 49 44.599 30.742 35.242
374 HE2 MET 49 HE2 MET 49 44.182 32.441 35.542
375 HE3 MET 49 HE3 MET 49 43.068 31.146 36.027
376 H ALA 50 HN ALA 50 41.224 37.253 33.963
377 HA ALA 50 HA ALA 50 41.151 38.450 36.696
378 HB1 ALA 50 HB1 ALA 50 43.113 39.028 34.421
379 HB2 ALA 50 HB2 ALA 50 43.067 39.863 35.986
380 HB3 ALA 50 HB3 ALA 50 43.488 38.143 35.915
381 H THR 51 HN THR 51 40.626 40.673 36.746
382 HA THR 51 HA THR 51 38.795 41.702 34.654
383 HB THR 51 HB THR 51 39.673 42.932 37.302
384 HG1 THR 51 HG1 THR 51 37.167 42.255 37.337
385 HG21 THR 51 1HG2 THR 51 37.367 43.663 35.440
386 HG22 THR 51 2HG2 THR 51 37.689 44.369 37.038
387 HG23 THR 51 3HG2 THR 51 38.820 44.652 35.716
388 H TYR 52 HN TYR 52 39.299 43.321 33.283
389 HA TYR 52 HA TYR 52 42.111 44.378 33.257
390 HB2 TYR 52 HB1 TYR 52 41.754 42.730 31.509
391 HB3 TYR 52 HB2 TYR 52 40.299 43.559 30.965
392 HD1 TYR 52 HD2 TYR 52 44.018 43.887 31.287
393 HD2 TYR 52 HD1 TYR 52 40.413 45.424 29.480
394 HE1 TYR 52 HE2 TYR 52 45.379 45.412 29.851
395 HE2 TYR 52 HE1 TYR 52 41.764 46.919 28.043
396 HH TYR 52 HH TYR 52 43.801 47.819 27.699
397 H HIS 53 HN HIS 53 42.260 46.500 33.525
398 HA HIS 53 HA HIS 53 40.411 48.455 32.477
399 HB2 HIS 53 HB1 HIS 53 39.436 49.253 34.478
400 HB3 HIS 53 HB2 HIS 53 39.102 47.545 34.416
401 HD1 HIS 53 HD1 HIS 53 39.744 49.939 36.927
402 HD2 HIS 53 HD2 HIS 53 41.320 46.130 35.955
403 HE1 HIS 53 HE1 HIS 53 40.760 48.975 39.074
Start of MODEL 12
1 H SER 1 H SER 1 26.559 30.497 22.593
2 HA SER 1 HA SER 1 26.222 33.017 24.068
3 HB2 SER 1 HB1 SER 1 27.867 32.092 25.639
4 HB3 SER 1 HB2 SER 1 26.382 31.129 25.570
5 HG SER 1 HG SER 1 28.061 29.737 25.523
6 H MET 2 HN MET 2 28.310 34.183 24.405
7 HA MET 2 HA MET 2 30.075 34.085 22.029
8 HB2 MET 2 HB1 MET 2 29.276 36.304 21.253
9 HB3 MET 2 HB2 MET 2 28.025 35.074 21.199
10 HG2 MET 2 HG1 MET 2 27.067 35.920 23.324
11 HG3 MET 2 HG2 MET 2 28.327 37.154 23.405
12 HE1 MET 2 HE1 MET 2 24.870 38.942 22.702
13 HE2 MET 2 HE2 MET 2 25.053 37.371 23.507
14 HE3 MET 2 HE3 MET 2 26.179 38.697 23.876
15 H VAL 3 HN VAL 3 30.645 34.105 24.996
16 HA VAL 3 HA VAL 3 32.317 36.596 25.160
17 HB VAL 3 HB VAL 3 33.183 35.638 27.320
18 HG11 VAL 3 1HG1 VAL 3 30.208 36.323 27.179
19 HG12 VAL 3 2HG1 VAL 3 31.247 36.457 28.613
20 HG13 VAL 3 3HG1 VAL 3 31.547 37.491 27.206
21 HG21 VAL 3 3HG2 VAL 3 30.728 33.851 27.271
22 HG22 VAL 3 1HG2 VAL 3 32.405 33.278 27.041
23 HG23 VAL 3 2HG2 VAL 3 31.919 34.033 28.562
24 H ASN 4 HN ASN 4 34.627 36.446 25.355
25 HA ASN 4 HA ASN 4 35.774 34.186 23.804
26 HB2 ASN 4 HB1 ASN 4 37.021 36.753 24.854
27 HB3 ASN 4 HB2 ASN 4 37.896 35.492 24.005
28 HD21 ASN 4 2HD2 ASN 4 37.675 38.220 23.177
29 HD22 ASN 4 1HD2 ASN 4 36.886 38.209 21.602
30 H THR 5 HN THR 5 36.505 32.442 24.807
31 HA THR 5 HA THR 5 37.931 32.684 27.454
32 HB THR 5 HB THR 5 37.306 30.444 28.007
33 HG1 THR 5 HG1 THR 5 35.306 30.478 26.034
34 HG21 THR 5 1HG2 THR 5 36.081 32.188 28.952
35 HG22 THR 5 2HG2 THR 5 34.938 32.283 27.596
36 HG23 THR 5 3HG2 THR 5 34.968 30.841 28.638
37 H GLY 6 HN GLY 6 39.904 31.755 27.400
38 HA2 GLY 6 HA1 GLY 6 40.749 29.942 25.272
39 HA3 GLY 6 HA2 GLY 6 41.670 30.351 26.686
40 H LEU 7 HN LEU 7 38.326 29.241 27.165
41 HA LEU 7 HA LEU 7 39.388 27.168 28.861
42 HB2 LEU 7 HB1 LEU 7 36.656 28.209 28.263
43 HB3 LEU 7 HB2 LEU 7 36.756 26.591 28.907
44 HG LEU 7 HG LEU 7 38.138 28.957 30.241
45 HD11 LEU 7 1HD1 LEU 7 35.423 27.702 30.879
46 HD12 LEU 7 2HD1 LEU 7 36.238 28.960 31.832
47 HD13 LEU 7 3HD1 LEU 7 35.686 29.317 30.191
48 HD21 LEU 7 3HD2 LEU 7 37.409 26.191 31.334
49 HD22 LEU 7 1HD2 LEU 7 39.051 26.718 30.924
50 HD23 LEU 7 2HD2 LEU 7 38.179 27.503 32.239
51 HA PRO 8 HA PRO 8 39.353 23.817 25.886
52 HB2 PRO 8 HB1 PRO 8 39.005 21.585 27.336
53 HB3 PRO 8 HB2 PRO 8 40.338 22.683 27.755
54 HG2 PRO 8 HG1 PRO 8 37.529 22.688 28.957
55 HG3 PRO 8 HG2 PRO 8 39.073 22.436 29.811
56 HD2 PRO 8 HD1 PRO 8 37.968 24.903 29.582
57 HD3 PRO 8 HD2 PRO 8 39.735 24.692 29.470
58 H ALA 9 HN ALA 9 37.694 21.621 25.524
59 HA ALA 9 HA ALA 9 35.441 22.724 24.302
60 HB1 ALA 9 HB1 ALA 9 35.861 19.858 25.260
61 HB2 ALA 9 HB2 ALA 9 34.729 20.387 24.000
62 HB3 ALA 9 HB3 ALA 9 36.473 20.548 23.738
63 H GLY 10 HN GLY 10 35.682 21.856 27.647
64 HA2 GLY 10 HA1 GLY 10 32.817 22.355 28.192
65 HA3 GLY 10 HA2 GLY 10 34.044 21.874 29.388
66 H TRP 11 HN TRP 11 33.088 24.485 27.208
67 HA TRP 11 HA TRP 11 34.319 26.511 29.018
68 HB2 TRP 11 HB1 TRP 11 34.331 27.967 27.065
69 HB3 TRP 11 HB2 TRP 11 35.191 26.476 26.788
70 HD1 TRP 11 HD1 TRP 11 31.531 27.654 26.138
71 HE1 TRP 11 HE1 TRP 11 30.854 27.033 23.757
72 HE3 TRP 11 HE3 TRP 11 35.910 25.509 24.534
73 HZ2 TRP 11 HZ2 TRP 11 31.996 25.728 21.482
74 HZ3 TRP 11 HZ3 TRP 11 36.078 24.580 22.249
75 HH2 TRP 11 HH2 TRP 11 34.139 24.695 20.701
76 H GLU 12 HN GLU 12 31.131 25.400 28.477
77 HA GLU 12 HA GLU 12 29.892 28.082 28.494
78 HB2 GLU 12 HB1 GLU 12 29.051 26.190 27.071
79 HB3 GLU 12 HB2 GLU 12 28.634 25.318 28.537
80 HG2 GLU 12 HG1 GLU 12 26.608 26.232 28.015
81 HG3 GLU 12 HG2 GLU 12 27.194 27.470 29.113
82 H VAL 13 HN VAL 13 29.858 29.131 30.505
83 HA VAL 13 HA VAL 13 29.896 27.806 32.979
84 HB VAL 13 HB VAL 13 30.477 30.173 32.590
85 HG11 VAL 13 1HG1 VAL 13 27.509 30.810 32.842
86 HG12 VAL 13 2HG1 VAL 13 28.853 31.948 32.675
87 HG13 VAL 13 3HG1 VAL 13 28.435 30.882 31.324
88 HG21 VAL 13 3HG2 VAL 13 28.572 29.737 34.918
89 HG22 VAL 13 1HG2 VAL 13 30.294 29.282 34.847
90 HG23 VAL 13 2HG2 VAL 13 29.826 30.987 34.790
91 H ARG 14 HN ARG 14 28.489 26.952 34.326
92 HA ARG 14 HA ARG 14 25.557 27.414 34.025
93 HB2 ARG 14 HB1 ARG 14 27.029 24.835 34.673
94 HB3 ARG 14 HB2 ARG 14 25.283 25.013 34.747
95 HG2 ARG 14 HG1 ARG 14 26.894 25.319 32.165
96 HG3 ARG 14 HG2 ARG 14 26.254 23.799 32.757
97 HD2 ARG 14 HD1 ARG 14 24.707 24.505 31.168
98 HD3 ARG 14 HD2 ARG 14 23.945 24.785 32.738
99 HE ARG 14 HE ARG 14 25.346 27.138 31.778
100 HH11 ARG 14 1HH1 ARG 14 22.319 25.330 31.211
101 HH12 ARG 14 2HH1 ARG 14 21.469 26.787 30.773
102 HH21 ARG 14 1HH2 ARG 14 24.149 28.915 30.979
103 HH22 ARG 14 2HH2 ARG 14 22.431 28.741 30.770
104 H HIS 15 HN HIS 15 24.905 28.474 35.751
105 HA HIS 15 HA HIS 15 26.061 27.890 38.447
106 HB2 HIS 15 HB1 HIS 15 25.343 30.036 39.166
107 HB3 HIS 15 HB2 HIS 15 26.361 30.193 37.745
108 HD1 HIS 15 HD1 HIS 15 22.689 30.672 38.870
109 HD2 HIS 15 HD2 HIS 15 25.335 31.395 35.630
110 HE1 HIS 15 HE1 HIS 15 21.524 32.310 37.290
111 H SER 16 HN SER 16 24.609 27.693 40.249
112 HA SER 16 HA SER 16 21.750 27.135 39.831
113 HB2 SER 16 HB1 SER 16 21.913 24.778 40.392
114 HB3 SER 16 HB2 SER 16 22.840 25.101 38.927
115 HG SER 16 HG SER 16 24.751 25.017 40.132
116 H ASN 17 HN ASN 17 20.638 26.665 41.943
117 HA ASN 17 HA ASN 17 21.999 28.002 44.130
118 HB2 ASN 17 HB1 ASN 17 19.988 27.777 45.369
119 HB3 ASN 17 HB2 ASN 17 19.621 28.308 43.743
120 HD21 ASN 17 2HD2 ASN 17 17.454 27.564 44.824
121 HD22 ASN 17 1HD2 ASN 17 16.985 25.916 44.441
122 H SER 18 HN SER 18 21.872 24.661 43.201
123 HA SER 18 HA SER 18 22.223 23.443 45.763
124 HB2 SER 18 HB1 SER 18 23.122 22.247 43.132
125 HB3 SER 18 HB2 SER 18 22.432 21.445 44.550
126 HG SER 18 HG SER 18 20.685 21.537 43.343
127 H LYS 19 HN LYS 19 24.530 24.791 43.446
128 HA LYS 19 HA LYS 19 26.849 23.672 44.964
129 HB2 LYS 19 HB1 LYS 19 26.621 24.709 42.113
130 HB3 LYS 19 HB2 LYS 19 28.116 24.139 42.866
131 HG2 LYS 19 HG1 LYS 19 27.225 21.875 43.100
132 HG3 LYS 19 HG2 LYS 19 25.628 22.397 42.568
133 HD2 LYS 19 HD1 LYS 19 26.580 21.308 40.709
134 HD3 LYS 19 HD2 LYS 19 26.563 23.022 40.347
135 HE2 LYS 19 HE1 LYS 19 28.616 22.105 39.554
136 HE3 LYS 19 HE2 LYS 19 29.012 23.135 40.938
137 HZ1 LYS 19 HZ1 LYS 19 29.364 21.211 42.256
138 HZ2 LYS 19 HZ2 LYS 19 28.637 20.198 41.168
139 HZ3 LYS 19 HZ3 LYS 19 30.085 20.879 40.824
140 H ASN 20 HN ASN 20 28.504 25.027 45.717
141 HA ASN 20 HA ASN 20 27.738 27.831 46.061
142 HB2 ASN 20 HB1 ASN 20 28.534 26.282 47.901
143 HB3 ASN 20 HB2 ASN 20 30.150 26.390 47.198
144 HD21 ASN 20 2HD2 ASN 20 31.154 27.571 48.879
145 HD22 ASN 20 1HD2 ASN 20 30.595 29.169 49.372
146 H LEU 21 HN LEU 21 29.021 26.628 43.458
147 HA LEU 21 HA LEU 21 30.039 29.072 42.520
148 HB2 LEU 21 HB1 LEU 21 32.301 28.805 42.258
149 HB3 LEU 21 HB2 LEU 21 32.091 28.066 43.816
150 HG LEU 21 HG LEU 21 32.406 26.558 41.200
151 HD11 LEU 21 1HD1 LEU 21 34.316 26.997 43.532
152 HD12 LEU 21 2HD1 LEU 21 34.622 25.979 42.111
153 HD13 LEU 21 3HD1 LEU 21 34.449 27.733 41.923
154 HD21 LEU 21 3HD2 LEU 21 32.289 25.516 44.066
155 HD22 LEU 21 1HD2 LEU 21 31.079 25.212 42.811
156 HD23 LEU 21 2HD2 LEU 21 32.707 24.561 42.627
157 HA PRO 22 HA PRO 22 28.520 27.116 38.891
158 HB2 PRO 22 HB1 PRO 22 29.697 28.371 36.789
159 HB3 PRO 22 HB2 PRO 22 28.640 29.242 37.934
160 HG2 PRO 22 HG1 PRO 22 31.668 29.106 37.940
161 HG3 PRO 22 HG2 PRO 22 30.627 30.556 38.092
162 HD2 PRO 22 HD1 PRO 22 31.713 29.224 40.249
163 HD3 PRO 22 HD2 PRO 22 30.136 30.078 40.342
164 H TYR 23 HN TYR 23 29.051 25.884 36.888
165 HA TYR 23 HA TYR 23 31.792 24.711 36.807
166 HB2 TYR 23 HB1 TYR 23 30.924 22.553 36.312
167 HB3 TYR 23 HB2 TYR 23 30.307 23.068 37.858
168 HD1 TYR 23 HD2 TYR 23 27.922 23.630 38.177
169 HD2 TYR 23 HD1 TYR 23 29.392 22.202 34.389
170 HE1 TYR 23 HE2 TYR 23 25.599 23.027 37.507
171 HE2 TYR 23 HE1 TYR 23 27.076 21.592 33.717
172 HH TYR 23 HH TYR 23 24.846 21.695 34.271
173 H TYR 24 HN TYR 24 32.571 24.213 34.731
174 HA TYR 24 HA TYR 24 31.185 25.748 32.574
175 HB2 TYR 24 HB1 TYR 24 34.100 24.960 32.773
176 HB3 TYR 24 HB2 TYR 24 33.362 26.046 31.603
177 HD1 TYR 24 HD2 TYR 24 32.483 28.306 32.366
178 HD2 TYR 24 HD1 TYR 24 34.685 25.702 34.998
179 HE1 TYR 24 HE2 TYR 24 32.813 30.191 33.958
180 HE2 TYR 24 HE1 TYR 24 35.002 27.574 36.598
181 HH TYR 24 HH TYR 24 34.563 29.771 37.073
182 H PHE 25 HN PHE 25 29.986 24.527 31.326
183 HA PHE 25 HA PHE 25 30.388 21.624 31.174
184 HB2 PHE 25 HB1 PHE 25 28.283 22.749 31.903
185 HB3 PHE 25 HB2 PHE 25 28.101 23.427 30.293
186 HD1 PHE 25 HD1 PHE 25 28.445 20.175 32.135
187 HD2 PHE 25 HD2 PHE 25 26.976 22.157 28.594
188 HE1 PHE 25 HE1 PHE 25 27.275 18.100 31.463
189 HE2 PHE 25 HE2 PHE 25 25.755 20.092 27.959
190 HZ PHE 25 HZ PHE 25 25.911 18.059 29.383
191 H ASN 26 HN ASN 26 30.366 20.393 29.307
192 HA ASN 26 HA ASN 26 31.053 21.729 26.742
193 HB2 ASN 26 HB1 ASN 26 32.648 20.072 27.560
194 HB3 ASN 26 HB2 ASN 26 31.389 18.864 27.664
195 HD21 ASN 26 2HD2 ASN 26 33.511 18.071 26.161
196 HD22 ASN 26 1HD2 ASN 26 33.117 18.197 24.450
197 HA PRO 27 HA PRO 27 26.723 20.592 25.747
198 HB2 PRO 27 HB1 PRO 27 26.494 21.966 23.378
199 HB3 PRO 27 HB2 PRO 27 26.365 22.723 24.987
200 HG2 PRO 27 HG1 PRO 27 28.797 22.592 23.178
201 HG3 PRO 27 HG2 PRO 27 28.127 24.022 24.031
202 HD2 PRO 27 HD1 PRO 27 30.204 22.607 25.051
203 HD3 PRO 27 HD2 PRO 27 28.940 23.271 26.122
204 H ALA 28 HN ALA 28 29.592 20.166 23.651
205 HA ALA 28 HA ALA 28 28.151 18.665 21.635
206 HB1 ALA 28 HB1 ALA 28 31.133 19.172 22.059
207 HB2 ALA 28 HB2 ALA 28 30.375 18.525 20.589
208 HB3 ALA 28 HB3 ALA 28 30.018 20.182 21.111
209 H THR 29 HN THR 29 30.362 17.809 24.285
210 HA THR 29 HA THR 29 29.435 14.966 24.153
211 HB THR 29 HB THR 29 32.245 15.926 24.878
212 HG1 THR 29 HG1 THR 29 32.151 15.789 22.752
213 HG21 THR 29 1HG2 THR 29 31.029 13.129 24.914
214 HG22 THR 29 2HG2 THR 29 32.763 13.499 25.020
215 HG23 THR 29 3HG2 THR 29 31.676 14.032 26.304
216 H ARG 30 HN ARG 30 28.740 14.228 26.191
217 HA ARG 30 HA ARG 30 28.157 16.145 28.218
218 HB2 ARG 30 HB1 ARG 30 28.176 13.105 28.328
219 HB3 ARG 30 HB2 ARG 30 27.577 14.161 29.613
220 HG2 ARG 30 HG1 ARG 30 26.015 15.205 27.910
221 HG3 ARG 30 HG2 ARG 30 26.457 13.904 26.800
222 HD2 ARG 30 HD1 ARG 30 25.181 13.630 29.550
223 HD3 ARG 30 HD2 ARG 30 24.350 13.419 28.016
224 HE ARG 30 HE ARG 30 26.021 11.496 29.419
225 HH11 ARG 30 1HH1 ARG 30 24.623 12.218 26.253
226 HH12 ARG 30 2HH1 ARG 30 25.342 10.811 25.513
227 HH21 ARG 30 1HH2 ARG 30 26.705 9.592 28.457
228 HH22 ARG 30 2HH2 ARG 30 26.528 9.369 26.733
229 H GLU 31 HN GLU 31 29.758 17.226 29.101
230 HA GLU 31 HA GLU 31 31.365 15.930 31.122
231 HB2 GLU 31 HB1 GLU 31 32.693 15.721 28.882
232 HB3 GLU 31 HB2 GLU 31 32.894 17.465 28.974
233 HG2 GLU 31 HG1 GLU 31 34.850 16.278 29.853
234 HG3 GLU 31 HG2 GLU 31 34.100 17.207 31.142
235 H SER 32 HN SER 32 32.394 17.392 32.588
236 HA SER 32 HA SER 32 31.712 20.280 32.356
237 HB2 SER 32 HB1 SER 32 29.996 19.309 33.742
238 HB3 SER 32 HB2 SER 32 31.202 18.419 34.701
239 HG SER 32 HG SER 32 30.710 20.213 35.868
240 H ARG 33 HN ARG 33 33.092 21.663 33.489
241 HA ARG 33 HA ARG 33 35.646 20.524 34.477
242 HB2 ARG 33 HB1 ARG 33 35.751 21.419 32.093
243 HB3 ARG 33 HB2 ARG 33 35.345 23.006 32.735
244 HG2 ARG 33 HG1 ARG 33 37.735 22.902 32.428
245 HG3 ARG 33 HG2 ARG 33 37.397 22.915 34.162
246 HD2 ARG 33 HD1 ARG 33 39.132 21.371 33.833
247 HD3 ARG 33 HD2 ARG 33 37.708 20.435 34.218
248 HE ARG 33 HE ARG 33 39.177 20.521 31.658
249 HH11 ARG 33 1HH1 ARG 33 36.239 19.024 33.198
250 HH12 ARG 33 2HH1 ARG 33 36.675 17.535 32.425
251 HH21 ARG 33 1HH2 ARG 33 39.333 18.665 30.629
252 HH22 ARG 33 2HH2 ARG 33 38.176 17.378 30.908
253 H TRP 34 HN TRP 34 36.438 21.349 36.208
254 HA TRP 34 HA TRP 34 34.702 23.113 37.844
255 HB2 TRP 34 HB1 TRP 34 36.209 21.110 39.320
256 HB3 TRP 34 HB2 TRP 34 34.484 21.357 39.211
257 HD1 TRP 34 HD1 TRP 34 33.185 19.422 38.128
258 HE1 TRP 34 HE1 TRP 34 33.729 17.387 36.648
259 HE3 TRP 34 HE3 TRP 34 38.109 20.426 37.140
260 HZ2 TRP 34 HZ2 TRP 34 36.006 16.340 35.237
261 HZ3 TRP 34 HZ3 TRP 34 39.440 18.893 35.715
262 HH2 TRP 34 HH2 TRP 34 38.407 16.842 34.779
263 H GLU 35 HN GLU 35 37.704 23.294 36.556
264 HA GLU 35 HA GLU 35 38.682 25.371 38.210
265 HB2 GLU 35 HB1 GLU 35 40.851 24.303 38.839
266 HB3 GLU 35 HB2 GLU 35 39.479 23.681 39.748
267 HG2 GLU 35 HG1 GLU 35 39.469 21.617 38.536
268 HG3 GLU 35 HG2 GLU 35 40.557 22.240 37.289
269 HA PRO 36 HA PRO 36 40.563 26.102 34.217
270 HB2 PRO 36 HB1 PRO 36 43.028 27.157 35.581
271 HB3 PRO 36 HB2 PRO 36 42.003 27.917 34.330
272 HG2 PRO 36 HG1 PRO 36 41.829 28.685 36.932
273 HG3 PRO 36 HG2 PRO 36 40.348 28.505 35.934
274 HD2 PRO 36 HD1 PRO 36 41.529 26.523 37.902
275 HD3 PRO 36 HD2 PRO 36 39.838 27.088 37.747
276 HA PRO 37 HA PRO 37 43.035 22.301 34.417
277 HB2 PRO 37 HB1 PRO 37 42.491 21.235 31.976
278 HB3 PRO 37 HB2 PRO 37 41.255 21.358 33.264
279 HG2 PRO 37 HG1 PRO 37 41.621 23.139 30.876
280 HG3 PRO 37 HG2 PRO 37 40.111 22.518 31.610
281 HD2 PRO 37 HD1 PRO 37 41.087 25.050 32.126
282 HD3 PRO 37 HD2 PRO 37 40.027 24.114 33.199
283 H ALA 38 HN ALA 38 44.972 21.364 33.489
284 HA ALA 38 HA ALA 38 46.970 23.119 32.603
285 HB1 ALA 38 HB1 ALA 38 46.755 20.089 32.288
286 HB2 ALA 38 HB2 ALA 38 48.249 21.045 32.222
287 HB3 ALA 38 HB3 ALA 38 47.334 20.958 33.733
288 H ASP 39 HN ASP 39 44.579 21.543 30.649
289 HA ASP 39 HA ASP 39 45.961 21.707 28.093
290 HB2 ASP 39 HB1 ASP 39 44.151 20.054 28.972
291 HB3 ASP 39 HB2 ASP 39 42.988 21.320 28.595
292 H THR 40 HN THR 40 44.247 24.004 29.967
293 HA THR 40 HA THR 40 42.780 25.349 27.884
294 HB THR 40 HB THR 40 42.294 25.054 30.362
295 HG1 THR 40 HG1 THR 40 41.568 26.828 28.557
296 HG21 THR 40 1HG2 THR 40 44.422 26.375 31.113
297 HG22 THR 40 2HG2 THR 40 43.562 27.820 30.585
298 HG23 THR 40 3HG2 THR 40 42.876 26.811 31.873
299 H ASP 41 HN ASP 41 42.970 27.985 27.996
300 HA ASP 41 HA ASP 41 45.659 28.429 26.784
301 HB2 ASP 41 HB1 ASP 41 42.907 29.056 25.714
302 HB3 ASP 41 HB2 ASP 41 44.413 29.434 24.918
303 H MET 42 HN MET 42 45.214 29.308 29.278
304 HA MET 42 HA MET 42 44.670 31.702 30.161
305 HB2 MET 42 HB1 MET 42 47.424 30.465 30.164
306 HB3 MET 42 HB2 MET 42 46.975 31.879 31.111
307 HG2 MET 42 HG1 MET 42 44.924 30.435 31.915
308 HG3 MET 42 HG2 MET 42 45.876 29.065 31.337
309 HE1 MET 42 HE1 MET 42 45.691 28.053 33.767
310 HE2 MET 42 HE2 MET 42 46.163 28.924 35.237
311 HE3 MET 42 HE3 MET 42 44.779 29.493 34.282
312 H GLU 43 HN GLU 43 47.206 31.594 27.530
313 HA GLU 43 HA GLU 43 47.802 34.295 27.352
314 HB2 GLU 43 HB1 GLU 43 48.720 32.417 25.959
315 HB3 GLU 43 HB2 GLU 43 47.217 32.403 25.041
316 HG2 GLU 43 HG1 GLU 43 48.734 33.580 23.709
317 HG3 GLU 43 HG2 GLU 43 47.737 34.846 24.401
318 H THR 44 HN THR 44 44.874 32.747 25.995
319 HA THR 44 HA THR 44 43.596 35.260 25.093
320 HB THR 44 HB THR 44 42.601 32.370 25.318
321 HG1 THR 44 HG1 THR 44 43.302 32.161 23.233
322 HG21 THR 44 1HG2 THR 44 40.674 33.893 25.048
323 HG22 THR 44 2HG2 THR 44 41.489 34.722 23.706
324 HG23 THR 44 3HG2 THR 44 40.972 33.032 23.535
325 H LEU 45 HN LEU 45 43.753 33.398 27.966
326 HA LEU 45 HA LEU 45 40.911 33.948 28.632
327 HB2 LEU 45 HB1 LEU 45 41.781 31.717 28.092
328 HB3 LEU 45 HB2 LEU 45 42.922 31.821 29.360
329 HG LEU 45 HG LEU 45 41.078 31.848 30.999
330 HD11 LEU 45 1HD1 LEU 45 39.285 30.633 28.939
331 HD12 LEU 45 2HD1 LEU 45 38.930 31.119 30.570
332 HD13 LEU 45 3HD1 LEU 45 39.209 32.369 29.329
333 HD21 LEU 45 3HD2 LEU 45 41.542 29.412 29.278
334 HD22 LEU 45 1HD2 LEU 45 42.447 29.928 30.709
335 HD23 LEU 45 2HD2 LEU 45 40.773 29.378 30.881
336 H LYS 46 HN LYS 46 44.131 34.709 29.848
337 HA LYS 46 HA LYS 46 43.328 35.679 32.461
338 HB2 LYS 46 HB1 LYS 46 45.539 36.247 30.485
339 HB3 LYS 46 HB2 LYS 46 45.126 37.538 31.592
340 HG2 LYS 46 HG1 LYS 46 46.907 36.387 32.548
341 HG3 LYS 46 HG2 LYS 46 45.500 36.058 33.545
342 HD2 LYS 46 HD1 LYS 46 46.469 34.150 31.390
343 HD3 LYS 46 HD2 LYS 46 47.195 34.150 32.976
344 HE2 LYS 46 HE1 LYS 46 44.214 33.646 32.505
345 HE3 LYS 46 HE2 LYS 46 45.440 32.391 32.646
346 HZ1 LYS 46 HZ1 LYS 46 44.475 32.671 34.770
347 HZ2 LYS 46 HZ2 LYS 46 45.993 33.313 34.859
348 HZ3 LYS 46 HZ3 LYS 46 44.673 34.288 34.762
349 H MET 47 HN MET 47 42.852 36.968 29.157
350 HA MET 47 HA MET 47 41.774 39.513 29.895
351 HB2 MET 47 HB1 MET 47 40.930 37.833 27.499
352 HB3 MET 47 HB2 MET 47 40.871 39.585 27.667
353 HG2 MET 47 HG1 MET 47 43.336 37.831 27.405
354 HG3 MET 47 HG2 MET 47 42.720 38.979 26.239
355 HE1 MET 47 HE1 MET 47 45.591 38.957 26.693
356 HE2 MET 47 HE2 MET 47 46.305 39.906 28.017
357 HE3 MET 47 HE3 MET 47 45.534 38.354 28.362
358 H TYR 48 HN TYR 48 40.430 36.335 30.204
359 HA TYR 48 HA TYR 48 37.635 37.300 30.548
360 HB2 TYR 48 HB1 TYR 48 37.968 35.583 28.921
361 HB3 TYR 48 HB2 TYR 48 39.008 34.645 29.960
362 HD1 TYR 48 HD1 TYR 48 35.455 35.716 29.502
363 HD2 TYR 48 HD2 TYR 48 38.217 32.995 31.372
364 HE1 TYR 48 HE1 TYR 48 33.558 34.295 30.236
365 HE2 TYR 48 HE2 TYR 48 36.317 31.575 32.127
366 HH TYR 48 HH TYR 48 32.902 32.402 31.405
367 H MET 49 HN MET 49 40.219 35.515 32.240
368 HA MET 49 HA MET 49 38.649 35.312 34.732
369 HB2 MET 49 HB1 MET 49 41.391 34.209 33.963
370 HB3 MET 49 HB2 MET 49 40.515 33.872 35.467
371 HG2 MET 49 HG1 MET 49 38.566 33.190 33.766
372 HG3 MET 49 HG2 MET 49 39.924 33.018 32.651
373 HE1 MET 49 HE1 MET 49 39.285 32.177 36.480
374 HE2 MET 49 HE2 MET 49 37.870 31.641 35.544
375 HE3 MET 49 HE3 MET 49 38.925 30.452 36.329
376 H ALA 50 HN ALA 50 40.649 37.741 33.555
377 HA ALA 50 HA ALA 50 40.550 39.047 36.183
378 HB1 ALA 50 HB1 ALA 50 43.180 38.682 34.674
379 HB2 ALA 50 HB2 ALA 50 42.932 39.736 36.085
380 HB3 ALA 50 HB3 ALA 50 42.760 37.990 36.256
381 H THR 51 HN THR 51 38.807 39.881 34.669
382 HA THR 51 HA THR 51 39.548 41.551 32.446
383 HB THR 51 HB THR 51 37.490 40.123 32.766
384 HG1 THR 51 HG1 THR 51 36.520 41.278 31.317
385 HG21 THR 51 1HG2 THR 51 36.367 42.610 34.133
386 HG22 THR 51 2HG2 THR 51 35.521 41.101 33.739
387 HG23 THR 51 3HG2 THR 51 36.773 41.105 34.986
388 H TYR 52 HN TYR 52 39.546 42.393 35.774
389 HA TYR 52 HA TYR 52 38.749 45.149 35.616
390 HB2 TYR 52 HB1 TYR 52 38.900 43.817 37.669
391 HB3 TYR 52 HB2 TYR 52 40.655 43.775 37.523
392 HD1 TYR 52 HD1 TYR 52 41.992 45.827 37.902
393 HD2 TYR 52 HD2 TYR 52 37.709 45.846 38.344
394 HE1 TYR 52 HE1 TYR 52 42.139 47.939 39.190
395 HE2 TYR 52 HE2 TYR 52 37.845 47.963 39.619
396 HH TYR 52 HH TYR 52 41.008 49.555 40.312
397 H HIS 53 HN HIS 53 39.783 46.982 35.076
398 HA HIS 53 HA HIS 53 42.266 46.823 33.548
399 HB2 HIS 53 HB1 HIS 53 40.086 48.151 33.068
400 HB3 HIS 53 HB2 HIS 53 40.733 49.366 34.160
401 HD1 HIS 53 HD1 HIS 53 42.336 51.116 32.946
402 HD2 HIS 53 HD2 HIS 53 41.761 47.422 30.947
403 HE1 HIS 53 HE1 HIS 53 43.412 51.331 30.633
Start of MODEL 13
1 H SER 1 H SER 1 25.523 34.058 27.925
2 HA SER 1 HA SER 1 25.094 35.691 25.530
3 HB2 SER 1 HB1 SER 1 26.389 36.425 28.187
4 HB3 SER 1 HB2 SER 1 26.246 37.478 26.763
5 HG SER 1 HG SER 1 24.551 37.828 28.290
6 H MET 2 HN MET 2 26.912 36.094 24.245
7 HA MET 2 HA MET 2 28.969 34.066 24.241
8 HB2 MET 2 HB1 MET 2 28.725 36.681 22.685
9 HB3 MET 2 HB2 MET 2 29.948 35.441 22.405
10 HG2 MET 2 HG1 MET 2 28.329 35.004 20.786
11 HG3 MET 2 HG2 MET 2 28.056 33.782 22.016
12 HE1 MET 2 HE1 MET 2 26.122 34.217 19.740
13 HE2 MET 2 HE2 MET 2 25.760 33.114 21.088
14 HE3 MET 2 HE3 MET 2 24.540 34.281 20.538
15 H VAL 3 HN VAL 3 31.135 34.154 24.803
16 HA VAL 3 HA VAL 3 32.298 36.568 25.995
17 HB VAL 3 HB VAL 3 33.005 35.295 28.086
18 HG11 VAL 3 1HG1 VAL 3 30.057 36.034 27.957
19 HG12 VAL 3 2HG1 VAL 3 31.097 35.998 29.390
20 HG13 VAL 3 3HG1 VAL 3 31.403 37.188 28.119
21 HG21 VAL 3 3HG2 VAL 3 30.581 33.550 27.448
22 HG22 VAL 3 1HG2 VAL 3 32.270 33.013 27.569
23 HG23 VAL 3 2HG2 VAL 3 31.432 33.609 28.998
24 H ASN 4 HN ASN 4 34.429 36.659 25.509
25 HA ASN 4 HA ASN 4 35.678 34.389 24.170
26 HB2 ASN 4 HB1 ASN 4 36.965 36.951 25.183
27 HB3 ASN 4 HB2 ASN 4 37.740 35.736 24.177
28 HD21 ASN 4 2HD2 ASN 4 35.783 38.571 24.138
29 HD22 ASN 4 1HD2 ASN 4 35.319 38.502 22.453
30 H THR 5 HN THR 5 36.585 32.690 25.062
31 HA THR 5 HA THR 5 37.955 32.839 27.752
32 HB THR 5 HB THR 5 37.347 30.566 28.164
33 HG1 THR 5 HG1 THR 5 35.308 30.381 26.381
34 HG21 THR 5 1HG2 THR 5 35.071 30.920 28.818
35 HG22 THR 5 2HG2 THR 5 36.012 32.408 28.977
36 HG23 THR 5 3HG2 THR 5 34.868 32.232 27.629
37 H GLY 6 HN GLY 6 39.945 31.921 27.715
38 HA2 GLY 6 HA1 GLY 6 41.004 30.468 25.443
39 HA3 GLY 6 HA2 GLY 6 41.731 30.583 27.048
40 H LEU 7 HN LEU 7 38.455 29.384 27.160
41 HA LEU 7 HA LEU 7 39.495 27.145 28.595
42 HB2 LEU 7 HB1 LEU 7 36.730 28.022 27.819
43 HB3 LEU 7 HB2 LEU 7 36.961 26.429 28.500
44 HG LEU 7 HG LEU 7 37.940 28.974 29.871
45 HD11 LEU 7 1HD1 LEU 7 35.441 27.293 30.418
46 HD12 LEU 7 2HD1 LEU 7 35.967 28.720 31.339
47 HD13 LEU 7 3HD1 LEU 7 35.444 28.889 29.654
48 HD21 LEU 7 3HD2 LEU 7 37.634 26.114 30.926
49 HD22 LEU 7 1HD2 LEU 7 39.165 26.973 30.675
50 HD23 LEU 7 2HD2 LEU 7 38.039 27.535 31.906
51 HA PRO 8 HA PRO 8 40.141 24.169 25.497
52 HB2 PRO 8 HB1 PRO 8 39.924 21.800 26.752
53 HB3 PRO 8 HB2 PRO 8 41.103 23.011 27.301
54 HG2 PRO 8 HG1 PRO 8 38.281 22.584 28.369
55 HG3 PRO 8 HG2 PRO 8 39.821 22.501 29.274
56 HD2 PRO 8 HD1 PRO 8 38.378 24.800 29.138
57 HD3 PRO 8 HD2 PRO 8 40.167 24.840 29.081
58 H ALA 9 HN ALA 9 39.089 22.472 24.178
59 HA ALA 9 HA ALA 9 37.104 23.798 23.000
60 HB1 ALA 9 HB1 ALA 9 38.529 22.145 21.919
61 HB2 ALA 9 HB2 ALA 9 37.638 20.817 22.708
62 HB3 ALA 9 HB3 ALA 9 36.835 21.850 21.508
63 H GLY 10 HN GLY 10 36.360 21.230 25.321
64 HA2 GLY 10 HA1 GLY 10 33.472 21.186 24.626
65 HA3 GLY 10 HA2 GLY 10 34.341 20.071 25.708
66 H TRP 11 HN TRP 11 33.439 23.502 25.415
67 HA TRP 11 HA TRP 11 32.643 23.520 28.284
68 HB2 TRP 11 HB1 TRP 11 33.723 25.577 28.666
69 HB3 TRP 11 HB2 TRP 11 34.919 24.585 27.851
70 HD1 TRP 11 HD1 TRP 11 35.141 25.122 25.136
71 HE1 TRP 11 HE1 TRP 11 34.915 27.280 23.811
72 HE3 TRP 11 HE3 TRP 11 32.813 27.995 28.687
73 HZ2 TRP 11 HZ2 TRP 11 33.806 29.923 24.200
74 HZ3 TRP 11 HZ3 TRP 11 32.196 30.345 28.168
75 HH2 TRP 11 HH2 TRP 11 32.646 31.298 25.926
76 H GLU 12 HN GLU 12 31.051 24.878 28.896
77 HA GLU 12 HA GLU 12 29.688 26.901 27.358
78 HB2 GLU 12 HB1 GLU 12 28.662 24.811 26.390
79 HB3 GLU 12 HB2 GLU 12 28.355 24.234 28.015
80 HG2 GLU 12 HG1 GLU 12 26.305 24.971 27.363
81 HG3 GLU 12 HG2 GLU 12 26.864 26.311 28.351
82 H VAL 13 HN VAL 13 28.909 28.339 29.036
83 HA VAL 13 HA VAL 13 29.812 27.544 31.728
84 HB VAL 13 HB VAL 13 28.453 30.155 30.999
85 HG11 VAL 13 1HG1 VAL 13 28.663 29.693 33.438
86 HG12 VAL 13 2HG1 VAL 13 30.410 29.432 33.217
87 HG13 VAL 13 3HG1 VAL 13 29.699 31.033 32.939
88 HG21 VAL 13 3HG2 VAL 13 31.432 29.513 30.883
89 HG22 VAL 13 1HG2 VAL 13 30.383 29.918 29.507
90 HG23 VAL 13 2HG2 VAL 13 30.705 31.130 30.742
91 H ARG 14 HN ARG 14 28.557 26.822 33.348
92 HA ARG 14 HA ARG 14 25.645 27.376 33.361
93 HB2 ARG 14 HB1 ARG 14 27.053 24.683 33.577
94 HB3 ARG 14 HB2 ARG 14 25.433 24.956 34.226
95 HG2 ARG 14 HG1 ARG 14 26.097 25.379 31.296
96 HG3 ARG 14 HG2 ARG 14 25.485 23.864 31.979
97 HD2 ARG 14 HD1 ARG 14 23.529 24.985 32.890
98 HD3 ARG 14 HD2 ARG 14 24.060 26.544 32.237
99 HE ARG 14 HE ARG 14 23.983 25.181 29.967
100 HH11 ARG 14 1HH1 ARG 14 21.521 25.300 32.549
101 HH12 ARG 14 2HH1 ARG 14 20.283 24.748 31.431
102 HH21 ARG 14 1HH2 ARG 14 22.350 24.461 28.702
103 HH22 ARG 14 2HH2 ARG 14 20.718 24.319 29.337
104 H HIS 15 HN HIS 15 24.635 27.158 35.407
105 HA HIS 15 HA HIS 15 26.176 27.034 37.871
106 HB2 HIS 15 HB1 HIS 15 25.754 29.527 38.348
107 HB3 HIS 15 HB2 HIS 15 27.075 29.101 37.279
108 HD1 HIS 15 HD1 HIS 15 26.909 29.854 34.701
109 HD2 HIS 15 HD2 HIS 15 23.587 30.724 37.190
110 HE1 HIS 15 HE1 HIS 15 25.456 31.535 33.452
111 H SER 16 HN SER 16 24.981 27.367 39.771
112 HA SER 16 HA SER 16 22.119 27.651 39.886
113 HB2 SER 16 HB1 SER 16 21.627 25.274 40.374
114 HB3 SER 16 HB2 SER 16 22.206 25.461 38.716
115 HG SER 16 HG SER 16 23.226 23.705 39.687
116 H ASN 17 HN ASN 17 21.334 27.127 42.121
117 HA ASN 17 HA ASN 17 23.131 28.116 44.096
118 HB2 ASN 17 HB1 ASN 17 20.597 28.268 43.985
119 HB3 ASN 17 HB2 ASN 17 20.539 26.592 44.514
120 HD21 ASN 17 2HD2 ASN 17 19.421 27.108 46.451
121 HD22 ASN 17 1HD2 ASN 17 20.142 28.095 47.728
122 H SER 18 HN SER 18 23.181 25.074 42.785
123 HA SER 18 HA SER 18 24.052 23.461 45.090
124 HB2 SER 18 HB1 SER 18 22.918 22.300 43.361
125 HB3 SER 18 HB2 SER 18 23.881 23.060 42.094
126 HG SER 18 HG SER 18 24.339 20.734 42.934
127 H LYS 19 HN LYS 19 25.606 25.791 42.929
128 HA LYS 19 HA LYS 19 28.178 25.216 44.239
129 HB2 LYS 19 HB1 LYS 19 29.410 25.187 42.093
130 HB3 LYS 19 HB2 LYS 19 28.506 23.751 42.496
131 HG2 LYS 19 HG1 LYS 19 27.346 25.825 40.600
132 HG3 LYS 19 HG2 LYS 19 28.557 24.679 40.047
133 HD2 LYS 19 HD1 LYS 19 25.837 23.926 41.177
134 HD3 LYS 19 HD2 LYS 19 26.305 23.919 39.485
135 HE2 LYS 19 HE1 LYS 19 28.056 22.196 39.989
136 HE3 LYS 19 HE2 LYS 19 27.527 22.177 41.673
137 HZ1 LYS 19 HZ1 LYS 19 25.838 21.391 39.360
138 HZ2 LYS 19 HZ2 LYS 19 26.547 20.388 40.426
139 HZ3 LYS 19 HZ3 LYS 19 25.357 21.396 40.940
140 H ASN 20 HN ASN 20 29.602 26.852 44.420
141 HA ASN 20 HA ASN 20 28.312 29.445 44.463
142 HB2 ASN 20 HB1 ASN 20 29.732 28.483 46.277
143 HB3 ASN 20 HB2 ASN 20 31.144 28.618 45.226
144 HD21 ASN 20 2HD2 ASN 20 32.379 30.350 45.940
145 HD22 ASN 20 1HD2 ASN 20 31.692 31.885 46.460
146 H LEU 21 HN LEU 21 31.050 28.047 42.645
147 HA LEU 21 HA LEU 21 31.101 30.430 40.825
148 HB2 LEU 21 HB1 LEU 21 33.139 28.363 41.658
149 HB3 LEU 21 HB2 LEU 21 33.166 28.873 39.981
150 HG LEU 21 HG LEU 21 33.465 31.210 40.593
151 HD11 LEU 21 1HD1 LEU 21 33.392 30.219 43.469
152 HD12 LEU 21 2HD1 LEU 21 34.009 31.811 42.973
153 HD13 LEU 21 3HD1 LEU 21 32.309 31.409 42.716
154 HD21 LEU 21 3HD2 LEU 21 35.422 29.354 42.020
155 HD22 LEU 21 1HD2 LEU 21 35.432 29.745 40.286
156 HD23 LEU 21 2HD2 LEU 21 35.757 31.013 41.478
157 HA PRO 22 HA PRO 22 29.068 28.007 37.717
158 HB2 PRO 22 HB1 PRO 22 30.256 28.812 35.369
159 HB3 PRO 22 HB2 PRO 22 29.125 29.842 36.288
160 HG2 PRO 22 HG1 PRO 22 32.158 29.860 36.398
161 HG3 PRO 22 HG2 PRO 22 31.050 31.259 36.214
162 HD2 PRO 22 HD1 PRO 22 32.075 30.595 38.628
163 HD3 PRO 22 HD2 PRO 22 30.375 31.133 38.486
164 H TYR 23 HN TYR 23 29.346 26.295 36.297
165 HA TYR 23 HA TYR 23 31.990 24.913 36.266
166 HB2 TYR 23 HB1 TYR 23 30.906 22.820 36.424
167 HB3 TYR 23 HB2 TYR 23 30.326 23.799 37.766
168 HD1 TYR 23 HD1 TYR 23 27.994 24.836 37.637
169 HD2 TYR 23 HD2 TYR 23 29.402 21.881 34.843
170 HE1 TYR 23 HE1 TYR 23 25.635 24.330 36.986
171 HE2 TYR 23 HE2 TYR 23 27.054 21.370 34.197
172 HH TYR 23 HH TYR 23 24.265 23.140 35.538
173 H TYR 24 HN TYR 24 32.618 24.109 34.271
174 HA TYR 24 HA TYR 24 31.105 25.269 31.996
175 HB2 TYR 24 HB1 TYR 24 33.889 24.113 31.929
176 HB3 TYR 24 HB2 TYR 24 33.116 25.203 30.784
177 HD1 TYR 24 HD2 TYR 24 32.302 27.527 31.785
178 HD2 TYR 24 HD1 TYR 24 35.221 24.981 33.671
179 HE1 TYR 24 HE2 TYR 24 32.958 29.398 33.296
180 HE2 TYR 24 HE1 TYR 24 35.871 26.837 35.179
181 HH TYR 24 HH TYR 24 35.210 28.847 36.002
182 H PHE 25 HN PHE 25 29.513 23.920 31.518
183 HA PHE 25 HA PHE 25 29.515 21.025 31.594
184 HB2 PHE 25 HB1 PHE 25 27.538 22.482 31.886
185 HB3 PHE 25 HB2 PHE 25 27.743 23.125 30.269
186 HD1 PHE 25 HD2 PHE 25 27.226 21.739 28.262
187 HD2 PHE 25 HD1 PHE 25 26.460 20.343 32.273
188 HE1 PHE 25 HE2 PHE 25 25.649 20.042 27.381
189 HE2 PHE 25 HE1 PHE 25 24.891 18.636 31.381
190 HZ PHE 25 HZ PHE 25 24.499 18.470 28.930
191 H ASN 26 HN ASN 26 29.984 19.546 29.919
192 HA ASN 26 HA ASN 26 31.242 20.654 27.519
193 HB2 ASN 26 HB1 ASN 26 32.258 18.765 28.649
194 HB3 ASN 26 HB2 ASN 26 30.857 17.761 28.293
195 HD21 ASN 26 2HD2 ASN 26 33.669 17.333 27.396
196 HD22 ASN 26 1HD2 ASN 26 33.585 17.374 25.643
197 HA PRO 27 HA PRO 27 27.147 20.626 25.543
198 HB2 PRO 27 HB1 PRO 27 27.895 21.636 23.088
199 HB3 PRO 27 HB2 PRO 27 27.685 22.603 24.565
200 HG2 PRO 27 HG1 PRO 27 30.253 21.466 23.407
201 HG3 PRO 27 HG2 PRO 27 29.953 23.145 23.969
202 HD2 PRO 27 HD1 PRO 27 31.162 21.334 25.556
203 HD3 PRO 27 HD2 PRO 27 29.984 22.496 26.229
204 H ALA 28 HN ALA 28 29.983 18.864 24.414
205 HA ALA 28 HA ALA 28 28.447 17.475 22.345
206 HB1 ALA 28 HB1 ALA 28 31.389 17.368 23.172
207 HB2 ALA 28 HB2 ALA 28 30.677 16.429 21.842
208 HB3 ALA 28 HB3 ALA 28 30.690 18.197 21.770
209 H THR 29 HN THR 29 30.814 15.773 24.294
210 HA THR 29 HA THR 29 29.035 13.634 25.105
211 HB THR 29 HB THR 29 31.084 13.107 26.625
212 HG1 THR 29 HG1 THR 29 32.933 14.104 26.098
213 HG21 THR 29 1HG2 THR 29 32.338 12.184 24.697
214 HG22 THR 29 2HG2 THR 29 30.599 11.891 24.548
215 HG23 THR 29 3HG2 THR 29 31.368 13.176 23.587
216 H ARG 30 HN ARG 30 28.414 13.099 27.248
217 HA ARG 30 HA ARG 30 27.533 15.484 28.746
218 HB2 ARG 30 HB1 ARG 30 26.962 12.515 29.105
219 HB3 ARG 30 HB2 ARG 30 26.436 13.760 30.229
220 HG2 ARG 30 HG1 ARG 30 24.571 13.388 28.869
221 HG3 ARG 30 HG2 ARG 30 25.237 14.931 28.356
222 HD2 ARG 30 HD1 ARG 30 24.507 13.659 26.410
223 HD3 ARG 30 HD2 ARG 30 26.247 13.807 26.362
224 HE ARG 30 HE ARG 30 26.501 11.534 26.824
225 HH11 ARG 30 1HH1 ARG 30 22.983 12.238 26.697
226 HH12 ARG 30 2HH1 ARG 30 22.639 10.521 26.585
227 HH21 ARG 30 1HH2 ARG 30 25.877 9.441 27.011
228 HH22 ARG 30 2HH2 ARG 30 24.189 9.002 26.921
229 H GLU 31 HN GLU 31 29.338 16.387 29.625
230 HA GLU 31 HA GLU 31 30.365 15.209 32.088
231 HB2 GLU 31 HB1 GLU 31 31.791 14.495 29.857
232 HB3 GLU 31 HB2 GLU 31 32.545 16.036 30.213
233 HG2 GLU 31 HG1 GLU 31 33.866 14.470 31.358
234 HG3 GLU 31 HG2 GLU 31 32.848 15.121 32.637
235 H SER 32 HN SER 32 32.256 16.931 32.907
236 HA SER 32 HA SER 32 31.821 19.661 32.002
237 HB2 SER 32 HB1 SER 32 31.106 20.547 34.172
238 HB3 SER 32 HB2 SER 32 29.887 19.474 33.476
239 HG SER 32 HG SER 32 30.913 19.321 35.892
240 H ARG 33 HN ARG 33 33.325 21.088 32.628
241 HA ARG 33 HA ARG 33 35.751 20.142 34.063
242 HB2 ARG 33 HB1 ARG 33 35.690 21.169 31.615
243 HB3 ARG 33 HB2 ARG 33 35.461 22.688 32.439
244 HG2 ARG 33 HG1 ARG 33 37.770 22.530 31.982
245 HG3 ARG 33 HG2 ARG 33 37.601 22.280 33.721
246 HD2 ARG 33 HD1 ARG 33 39.250 20.761 32.665
247 HD3 ARG 33 HD2 ARG 33 37.946 19.885 33.467
248 HE ARG 33 HE ARG 33 37.235 20.256 30.710
249 HH11 ARG 33 1HH1 ARG 33 39.738 18.456 32.468
250 HH12 ARG 33 2HH1 ARG 33 39.839 17.267 31.199
251 HH21 ARG 33 1HH2 ARG 33 37.266 18.635 29.299
252 HH22 ARG 33 2HH2 ARG 33 38.375 17.286 29.471
253 H TRP 34 HN TRP 34 36.178 21.015 36.011
254 HA TRP 34 HA TRP 34 34.038 22.389 37.309
255 HB2 TRP 34 HB1 TRP 34 36.716 21.720 38.566
256 HB3 TRP 34 HB2 TRP 34 35.115 21.653 39.284
257 HD1 TRP 34 HD1 TRP 34 33.609 19.490 38.641
258 HE1 TRP 34 HE1 TRP 34 34.134 17.215 37.598
259 HE3 TRP 34 HE3 TRP 34 38.389 20.416 37.037
260 HZ2 TRP 34 HZ2 TRP 34 36.284 16.006 36.079
261 HZ3 TRP 34 HZ3 TRP 34 39.624 18.694 35.756
262 HH2 TRP 34 HH2 TRP 34 38.586 16.500 35.258
263 H GLU 35 HN GLU 35 37.265 23.322 36.438
264 HA GLU 35 HA GLU 35 37.109 26.145 37.281
265 HB2 GLU 35 HB1 GLU 35 39.044 24.045 38.353
266 HB3 GLU 35 HB2 GLU 35 39.311 25.767 38.540
267 HG2 GLU 35 HG1 GLU 35 37.289 25.991 39.908
268 HG3 GLU 35 HG2 GLU 35 36.922 24.272 39.701
269 HA PRO 36 HA PRO 36 39.684 26.456 33.647
270 HB2 PRO 36 HB1 PRO 36 41.823 28.083 34.342
271 HB3 PRO 36 HB2 PRO 36 40.169 28.646 33.951
272 HG2 PRO 36 HG1 PRO 36 41.331 28.068 36.698
273 HG3 PRO 36 HG2 PRO 36 40.456 29.532 36.157
274 HD2 PRO 36 HD1 PRO 36 39.148 27.614 37.486
275 HD3 PRO 36 HD2 PRO 36 38.379 28.314 36.036
276 HA PRO 37 HA PRO 37 42.615 23.112 34.751
277 HB2 PRO 37 HB1 PRO 37 42.784 21.910 32.314
278 HB3 PRO 37 HB2 PRO 37 41.281 21.838 33.284
279 HG2 PRO 37 HG1 PRO 37 41.918 23.731 31.017
280 HG3 PRO 37 HG2 PRO 37 40.450 22.720 31.275
281 HD2 PRO 37 HD1 PRO 37 40.515 25.323 32.011
282 HD3 PRO 37 HD2 PRO 37 39.628 24.063 32.938
283 H ALA 38 HN ALA 38 44.862 22.460 33.993
284 HA ALA 38 HA ALA 38 46.556 24.645 33.228
285 HB1 ALA 38 HB1 ALA 38 47.004 21.629 33.015
286 HB2 ALA 38 HB2 ALA 38 48.260 22.885 32.989
287 HB3 ALA 38 HB3 ALA 38 47.305 22.628 34.460
288 H ASP 39 HN ASP 39 44.830 22.277 31.303
289 HA ASP 39 HA ASP 39 46.098 22.482 28.835
290 HB2 ASP 39 HB1 ASP 39 44.421 20.795 29.729
291 HB3 ASP 39 HB2 ASP 39 43.149 21.962 29.387
292 H THR 40 HN THR 40 44.402 25.001 30.228
293 HA THR 40 HA THR 40 42.993 25.991 27.847
294 HB THR 40 HB THR 40 42.054 25.853 30.165
295 HG1 THR 40 HG1 THR 40 41.576 27.500 28.360
296 HG21 THR 40 1HG2 THR 40 43.488 28.510 30.660
297 HG22 THR 40 2HG2 THR 40 42.656 27.470 31.840
298 HG23 THR 40 3HG2 THR 40 44.249 27.017 31.181
299 H ASP 41 HN ASP 41 43.031 28.413 27.454
300 HA ASP 41 HA ASP 41 45.835 29.151 26.855
301 HB2 ASP 41 HB1 ASP 41 44.004 28.944 25.031
302 HB3 ASP 41 HB2 ASP 41 43.309 30.385 25.715
303 H MET 42 HN MET 42 45.357 29.525 29.418
304 HA MET 42 HA MET 42 44.530 31.664 30.737
305 HB2 MET 42 HB1 MET 42 47.367 30.619 30.730
306 HB3 MET 42 HB2 MET 42 46.715 31.711 31.944
307 HG2 MET 42 HG1 MET 42 44.749 29.948 32.117
308 HG3 MET 42 HG2 MET 42 45.905 28.871 31.326
309 HE1 MET 42 HE1 MET 42 44.664 27.986 33.929
310 HE2 MET 42 HE2 MET 42 45.955 27.131 33.048
311 HE3 MET 42 HE3 MET 42 46.105 27.415 34.788
312 H GLU 43 HN GLU 43 47.193 32.201 28.313
313 HA GLU 43 HA GLU 43 47.553 34.950 28.853
314 HB2 GLU 43 HB1 GLU 43 48.912 33.606 27.303
315 HB3 GLU 43 HB2 GLU 43 47.567 33.539 26.151
316 HG2 GLU 43 HG1 GLU 43 47.691 35.946 25.778
317 HG3 GLU 43 HG2 GLU 43 48.867 36.129 27.094
318 H THR 44 HN THR 44 44.975 33.460 26.910
319 HA THR 44 HA THR 44 43.527 35.970 26.300
320 HB THR 44 HB THR 44 42.899 33.004 25.837
321 HG1 THR 44 HG1 THR 44 44.207 33.235 24.260
322 HG21 THR 44 1HG2 THR 44 41.626 35.561 24.728
323 HG22 THR 44 2HG2 THR 44 41.421 33.952 24.005
324 HG23 THR 44 3HG2 THR 44 40.815 34.267 25.636
325 H LEU 45 HN LEU 45 43.745 33.872 28.948
326 HA LEU 45 HA LEU 45 40.821 34.049 29.487
327 HB2 LEU 45 HB1 LEU 45 41.708 32.094 28.457
328 HB3 LEU 45 HB2 LEU 45 42.876 31.840 29.675
329 HG LEU 45 HG LEU 45 40.951 30.265 29.599
330 HD11 LEU 45 1HD1 LEU 45 41.477 31.659 32.254
331 HD12 LEU 45 2HD1 LEU 45 40.826 30.023 32.028
332 HD13 LEU 45 3HD1 LEU 45 42.473 30.403 31.514
333 HD21 LEU 45 3HD2 LEU 45 39.550 32.531 30.874
334 HD22 LEU 45 1HD2 LEU 45 39.121 31.875 29.296
335 HD23 LEU 45 2HD2 LEU 45 38.896 30.879 30.750
336 H LYS 46 HN LYS 46 43.947 34.576 31.080
337 HA LYS 46 HA LYS 46 42.754 35.061 33.699
338 HB2 LYS 46 HB1 LYS 46 45.268 35.963 32.253
339 HB3 LYS 46 HB2 LYS 46 44.705 36.899 33.624
340 HG2 LYS 46 HG1 LYS 46 46.355 35.387 34.384
341 HG3 LYS 46 HG2 LYS 46 44.818 34.961 35.113
342 HD2 LYS 46 HD1 LYS 46 45.524 33.539 32.586
343 HD3 LYS 46 HD2 LYS 46 46.591 33.219 33.917
344 HE2 LYS 46 HE1 LYS 46 43.557 32.816 34.044
345 HE3 LYS 46 HE2 LYS 46 44.723 31.559 33.636
346 HZ1 LYS 46 HZ1 LYS 46 44.492 32.951 36.228
347 HZ2 LYS 46 HZ2 LYS 46 44.334 31.355 35.943
348 HZ3 LYS 46 HZ3 LYS 46 45.818 32.050 35.834
349 H MET 47 HN MET 47 42.695 36.777 30.601
350 HA MET 47 HA MET 47 41.550 39.242 31.580
351 HB2 MET 47 HB1 MET 47 41.067 37.986 28.852
352 HB3 MET 47 HB2 MET 47 40.978 39.682 29.305
353 HG2 MET 47 HG1 MET 47 43.452 37.975 28.926
354 HG3 MET 47 HG2 MET 47 42.953 39.415 28.061
355 HE1 MET 47 HE1 MET 47 44.664 41.163 28.171
356 HE2 MET 47 HE2 MET 47 45.942 41.174 29.397
357 HE3 MET 47 HE3 MET 47 45.665 39.714 28.414
358 H TYR 48 HN TYR 48 40.228 36.058 31.272
359 HA TYR 48 HA TYR 48 37.404 37.024 31.279
360 HB2 TYR 48 HB1 TYR 48 37.878 35.498 29.517
361 HB3 TYR 48 HB2 TYR 48 38.802 34.434 30.539
362 HD1 TYR 48 HD2 TYR 48 35.337 35.715 29.949
363 HD2 TYR 48 HD1 TYR 48 37.771 32.593 31.678
364 HE1 TYR 48 HE2 TYR 48 33.311 34.344 30.368
365 HE2 TYR 48 HE1 TYR 48 35.773 31.225 32.044
366 HH TYR 48 HH TYR 48 33.483 31.107 31.892
367 H MET 49 HN MET 49 39.470 34.593 32.870
368 HA MET 49 HA MET 49 37.689 33.919 35.006
369 HB2 MET 49 HB1 MET 49 40.673 33.518 34.495
370 HB3 MET 49 HB2 MET 49 39.894 32.939 35.965
371 HG2 MET 49 HG1 MET 49 39.368 32.077 33.110
372 HG3 MET 49 HG2 MET 49 40.065 31.145 34.408
373 HE1 MET 49 HE1 MET 49 36.891 30.646 36.791
374 HE2 MET 49 HE2 MET 49 38.660 30.637 36.720
375 HE3 MET 49 HE3 MET 49 37.790 32.168 36.789
376 H ALA 50 HN ALA 50 39.727 36.674 34.644
377 HA ALA 50 HA ALA 50 38.951 37.626 37.321
378 HB1 ALA 50 HB1 ALA 50 41.805 37.652 36.229
379 HB2 ALA 50 HB2 ALA 50 41.268 38.456 37.721
380 HB3 ALA 50 HB3 ALA 50 41.229 36.696 37.595
381 H THR 51 HN THR 51 39.722 40.111 37.359
382 HA THR 51 HA THR 51 38.495 41.299 34.909
383 HB THR 51 HB THR 51 37.847 43.171 36.463
384 HG1 THR 51 HG1 THR 51 39.258 42.626 38.167
385 HG21 THR 51 1HG2 THR 51 35.922 41.951 37.301
386 HG22 THR 51 2HG2 THR 51 36.311 41.352 35.689
387 HG23 THR 51 3HG2 THR 51 36.754 40.394 37.119
388 H TYR 52 HN TYR 52 39.999 41.802 33.613
389 HA TYR 52 HA TYR 52 42.417 43.346 34.260
390 HB2 TYR 52 HB1 TYR 52 42.281 41.461 32.612
391 HB3 TYR 52 HB2 TYR 52 41.221 42.445 31.621
392 HD1 TYR 52 HD2 TYR 52 44.631 42.408 33.189
393 HD2 TYR 52 HD1 TYR 52 42.162 43.837 29.954
394 HE1 TYR 52 HE2 TYR 52 46.654 43.263 32.022
395 HE2 TYR 52 HE1 TYR 52 44.180 44.703 28.794
396 HH TYR 52 HH TYR 52 46.448 44.921 28.851
397 H HIS 53 HN HIS 53 42.819 45.316 32.703
398 HA HIS 53 HA HIS 53 40.476 47.067 32.275
399 HB2 HIS 53 HB1 HIS 53 41.000 47.195 34.714
400 HB3 HIS 53 HB2 HIS 53 42.635 47.714 34.335
401 HD1 HIS 53 HD1 HIS 53 42.621 50.186 32.765
402 HD2 HIS 53 HD2 HIS 53 39.334 49.085 35.205
403 HE1 HIS 53 HE1 HIS 53 41.212 52.290 33.125
Start of MODEL 14
1 H SER 1 H SER 1 25.674 33.022 25.648
2 HA SER 1 HA SER 1 27.185 34.460 27.716
3 HB2 SER 1 HB1 SER 1 27.862 31.814 26.379
4 HB3 SER 1 HB2 SER 1 29.011 32.794 27.314
5 HG SER 1 HG SER 1 27.979 32.389 29.135
6 H MET 2 HN MET 2 28.568 35.974 26.851
7 HA MET 2 HA MET 2 29.530 35.633 24.060
8 HB2 MET 2 HB1 MET 2 27.422 36.869 23.885
9 HB3 MET 2 HB2 MET 2 28.048 38.121 24.967
10 HG2 MET 2 HG1 MET 2 29.800 38.688 23.371
11 HG3 MET 2 HG2 MET 2 29.385 37.307 22.345
12 HE1 MET 2 HE1 MET 2 28.508 40.632 20.377
13 HE2 MET 2 HE2 MET 2 29.707 40.533 21.686
14 HE3 MET 2 HE3 MET 2 29.605 39.241 20.475
15 H VAL 3 HN VAL 3 31.600 35.357 24.668
16 HA VAL 3 HA VAL 3 33.181 37.528 25.876
17 HB VAL 3 HB VAL 3 34.030 35.804 27.647
18 HG11 VAL 3 1HG1 VAL 3 31.345 37.092 28.216
19 HG12 VAL 3 2HG1 VAL 3 32.629 36.682 29.360
20 HG13 VAL 3 3HG1 VAL 3 32.897 37.962 28.170
21 HG21 VAL 3 3HG2 VAL 3 31.189 34.719 27.381
22 HG22 VAL 3 1HG2 VAL 3 32.645 33.874 26.816
23 HG23 VAL 3 2HG2 VAL 3 32.429 34.217 28.534
24 H ASN 4 HN ASN 4 35.394 37.254 25.690
25 HA ASN 4 HA ASN 4 36.372 35.210 23.794
26 HB2 ASN 4 HB1 ASN 4 37.735 37.514 25.252
27 HB3 ASN 4 HB2 ASN 4 38.539 36.423 24.138
28 HD21 ASN 4 2HD2 ASN 4 38.549 36.976 21.972
29 HD22 ASN 4 1HD2 ASN 4 37.462 38.188 21.274
30 H THR 5 HN THR 5 36.362 33.165 24.861
31 HA THR 5 HA THR 5 37.848 32.940 27.471
32 HB THR 5 HB THR 5 36.964 30.776 27.722
33 HG1 THR 5 HG1 THR 5 35.521 31.267 25.315
34 HG21 THR 5 1HG2 THR 5 35.827 32.695 28.620
35 HG22 THR 5 2HG2 THR 5 34.770 32.802 27.194
36 HG23 THR 5 3HG2 THR 5 34.689 31.382 28.274
37 H GLY 6 HN GLY 6 39.847 32.189 27.300
38 HA2 GLY 6 HA1 GLY 6 40.651 30.465 25.132
39 HA3 GLY 6 HA2 GLY 6 41.536 30.747 26.619
40 H LEU 7 HN LEU 7 38.130 29.498 26.530
41 HA LEU 7 HA LEU 7 39.062 27.322 28.234
42 HB2 LEU 7 HB1 LEU 7 36.361 28.289 27.372
43 HB3 LEU 7 HB2 LEU 7 36.497 26.646 27.939
44 HG LEU 7 HG LEU 7 37.625 28.974 29.554
45 HD11 LEU 7 1HD1 LEU 7 34.886 27.637 29.814
46 HD12 LEU 7 2HD1 LEU 7 35.558 28.870 30.902
47 HD13 LEU 7 3HD1 LEU 7 35.179 29.283 29.222
48 HD21 LEU 7 3HD2 LEU 7 36.858 26.117 30.371
49 HD22 LEU 7 1HD2 LEU 7 38.514 26.722 30.204
50 HD23 LEU 7 2HD2 LEU 7 37.462 27.384 31.453
51 HA PRO 8 HA PRO 8 39.789 24.402 25.119
52 HB2 PRO 8 HB1 PRO 8 39.170 21.946 26.059
53 HB3 PRO 8 HB2 PRO 8 40.407 22.971 26.826
54 HG2 PRO 8 HG1 PRO 8 37.478 22.732 27.616
55 HG3 PRO 8 HG2 PRO 8 38.921 22.503 28.655
56 HD2 PRO 8 HD1 PRO 8 37.655 24.847 28.602
57 HD3 PRO 8 HD2 PRO 8 39.438 24.797 28.629
58 H ALA 9 HN ALA 9 38.867 22.683 23.650
59 HA ALA 9 HA ALA 9 37.296 24.080 22.015
60 HB1 ALA 9 HB1 ALA 9 37.625 21.048 22.021
61 HB2 ALA 9 HB2 ALA 9 37.251 22.054 20.608
62 HB3 ALA 9 HB3 ALA 9 38.817 22.227 21.422
63 H GLY 10 HN GLY 10 35.739 22.135 24.456
64 HA2 GLY 10 HA1 GLY 10 33.076 22.701 23.235
65 HA3 GLY 10 HA2 GLY 10 33.458 21.060 23.752
66 H TRP 11 HN TRP 11 32.784 24.311 24.818
67 HA TRP 11 HA TRP 11 32.185 23.318 27.571
68 HB2 TRP 11 HB1 TRP 11 33.204 25.220 28.527
69 HB3 TRP 11 HB2 TRP 11 34.372 24.592 27.379
70 HD1 TRP 11 HD1 TRP 11 34.730 26.011 25.107
71 HE1 TRP 11 HE1 TRP 11 34.460 28.495 24.584
72 HE3 TRP 11 HE3 TRP 11 31.837 27.354 29.110
73 HZ2 TRP 11 HZ2 TRP 11 33.009 30.760 25.678
74 HZ3 TRP 11 HZ3 TRP 11 31.042 29.692 29.359
75 HH2 TRP 11 HH2 TRP 11 31.616 31.400 27.651
76 H GLU 12 HN GLU 12 30.633 24.488 28.793
77 HA GLU 12 HA GLU 12 29.231 26.818 27.712
78 HB2 GLU 12 HB1 GLU 12 27.908 24.755 26.953
79 HB3 GLU 12 HB2 GLU 12 27.673 24.369 28.666
80 HG2 GLU 12 HG1 GLU 12 26.593 26.634 28.951
81 HG3 GLU 12 HG2 GLU 12 26.766 26.894 27.210
82 H VAL 13 HN VAL 13 28.262 28.065 29.588
83 HA VAL 13 HA VAL 13 29.401 27.181 32.202
84 HB VAL 13 HB VAL 13 29.644 29.590 31.375
85 HG11 VAL 13 1HG1 VAL 13 27.209 30.011 30.839
86 HG12 VAL 13 2HG1 VAL 13 26.848 29.899 32.567
87 HG13 VAL 13 3HG1 VAL 13 27.912 31.176 31.959
88 HG21 VAL 13 3HG2 VAL 13 28.544 29.151 34.175
89 HG22 VAL 13 1HG2 VAL 13 30.198 28.751 33.660
90 HG23 VAL 13 2HG2 VAL 13 29.648 30.434 33.639
91 H ARG 14 HN ARG 14 28.169 26.751 33.991
92 HA ARG 14 HA ARG 14 25.204 26.709 33.734
93 HB2 ARG 14 HB1 ARG 14 27.030 24.655 35.058
94 HB3 ARG 14 HB2 ARG 14 25.279 24.657 35.207
95 HG2 ARG 14 HG1 ARG 14 26.762 24.290 32.558
96 HG3 ARG 14 HG2 ARG 14 26.234 22.987 33.617
97 HD2 ARG 14 HD1 ARG 14 24.596 23.144 31.933
98 HD3 ARG 14 HD2 ARG 14 23.883 23.775 33.419
99 HE ARG 14 HE ARG 14 25.103 25.709 31.522
100 HH11 ARG 14 1HH1 ARG 14 22.013 24.372 32.647
101 HH12 ARG 14 2HH1 ARG 14 21.212 25.915 32.398
102 HH21 ARG 14 1HH2 ARG 14 23.929 27.549 31.096
103 HH22 ARG 14 2HH2 ARG 14 22.230 27.608 31.516
104 H HIS 15 HN HIS 15 24.458 28.213 34.980
105 HA HIS 15 HA HIS 15 25.469 28.703 37.701
106 HB2 HIS 15 HB1 HIS 15 23.535 30.246 37.829
107 HB3 HIS 15 HB2 HIS 15 24.596 30.600 36.468
108 HD1 HIS 15 HD1 HIS 15 23.578 30.167 33.963
109 HD2 HIS 15 HD2 HIS 15 21.068 29.283 37.274
110 HE1 HIS 15 HE1 HIS 15 21.251 29.655 33.039
111 H SER 16 HN SER 16 24.288 28.106 39.598
112 HA SER 16 HA SER 16 21.846 26.533 39.457
113 HB2 SER 16 HB1 SER 16 23.502 24.811 38.770
114 HB3 SER 16 HB2 SER 16 24.377 25.064 40.286
115 HG SER 16 HG SER 16 22.807 23.262 40.152
116 H ASN 17 HN ASN 17 20.707 26.825 41.292
117 HA ASN 17 HA ASN 17 21.719 28.278 43.547
118 HB2 ASN 17 HB1 ASN 17 19.150 26.716 43.051
119 HB3 ASN 17 HB2 ASN 17 19.462 27.621 44.526
120 HD21 ASN 17 2HD2 ASN 17 17.477 28.824 43.906
121 HD22 ASN 17 1HD2 ASN 17 17.712 30.196 42.822
122 H SER 18 HN SER 18 22.132 25.011 42.806
123 HA SER 18 HA SER 18 22.476 23.947 45.537
124 HB2 SER 18 HB1 SER 18 21.942 22.697 43.367
125 HB3 SER 18 HB2 SER 18 23.621 22.965 42.898
126 HG SER 18 HG SER 18 23.219 20.950 43.878
127 H LYS 19 HN LYS 19 24.324 25.991 43.407
128 HA LYS 19 HA LYS 19 26.913 25.330 44.741
129 HB2 LYS 19 HB1 LYS 19 26.330 26.372 41.936
130 HB3 LYS 19 HB2 LYS 19 27.925 26.020 42.572
131 HG2 LYS 19 HG1 LYS 19 25.717 23.945 42.168
132 HG3 LYS 19 HG2 LYS 19 27.003 24.268 41.030
133 HD2 LYS 19 HD1 LYS 19 27.567 23.360 43.887
134 HD3 LYS 19 HD2 LYS 19 27.296 22.245 42.541
135 HE2 LYS 19 HE1 LYS 19 29.155 23.234 41.273
136 HE3 LYS 19 HE2 LYS 19 29.459 24.398 42.567
137 HZ1 LYS 19 HZ1 LYS 19 30.877 22.335 42.538
138 HZ2 LYS 19 HZ2 LYS 19 30.161 22.664 43.987
139 HZ3 LYS 19 HZ3 LYS 19 29.567 21.477 43.017
140 H ASN 20 HN ASN 20 28.464 27.074 44.916
141 HA ASN 20 HA ASN 20 27.222 29.704 45.576
142 HB2 ASN 20 HB1 ASN 20 29.991 28.509 46.008
143 HB3 ASN 20 HB2 ASN 20 29.582 30.177 46.399
144 HD21 ASN 20 2HD2 ASN 20 30.540 28.617 48.402
145 HD22 ASN 20 1HD2 ASN 20 29.225 28.339 49.552
146 H LEU 21 HN LEU 21 29.587 28.312 43.330
147 HA LEU 21 HA LEU 21 29.811 30.859 41.763
148 HB2 LEU 21 HB1 LEU 21 31.556 28.381 42.146
149 HB3 LEU 21 HB2 LEU 21 31.770 29.371 40.745
150 HG LEU 21 HG LEU 21 33.414 29.883 42.382
151 HD11 LEU 21 1HD1 LEU 21 31.499 32.240 42.149
152 HD12 LEU 21 2HD1 LEU 21 33.236 32.306 42.498
153 HD13 LEU 21 3HD1 LEU 21 32.684 31.721 40.926
154 HD21 LEU 21 3HD2 LEU 21 31.274 30.893 44.286
155 HD22 LEU 21 1HD2 LEU 21 32.108 29.324 44.441
156 HD23 LEU 21 2HD2 LEU 21 33.024 30.838 44.544
157 HA PRO 22 HA PRO 22 28.129 28.370 38.233
158 HB2 PRO 22 HB1 PRO 22 29.807 29.014 36.154
159 HB3 PRO 22 HB2 PRO 22 28.505 30.089 36.717
160 HG2 PRO 22 HG1 PRO 22 31.455 30.178 37.415
161 HG3 PRO 22 HG2 PRO 22 30.387 31.543 36.962
162 HD2 PRO 22 HD1 PRO 22 31.009 30.968 39.567
163 HD3 PRO 22 HD2 PRO 22 29.412 31.607 39.107
164 H TYR 23 HN TYR 23 28.754 26.466 37.095
165 HA TYR 23 HA TYR 23 31.617 25.647 37.204
166 HB2 TYR 23 HB1 TYR 23 31.091 23.333 37.340
167 HB3 TYR 23 HB2 TYR 23 30.352 24.130 38.709
168 HD1 TYR 23 HD2 TYR 23 29.739 22.307 35.564
169 HD2 TYR 23 HD1 TYR 23 27.892 24.309 38.892
170 HE1 TYR 23 HE2 TYR 23 27.583 21.201 35.012
171 HE2 TYR 23 HE1 TYR 23 25.742 23.152 38.401
172 HH TYR 23 HH TYR 23 24.687 21.599 37.107
173 H TYR 24 HN TYR 24 32.201 24.258 35.206
174 HA TYR 24 HA TYR 24 30.559 25.235 32.889
175 HB2 TYR 24 HB1 TYR 24 33.404 24.238 32.995
176 HB3 TYR 24 HB2 TYR 24 32.554 24.781 31.555
177 HD1 TYR 24 HD2 TYR 24 31.785 27.176 31.386
178 HD2 TYR 24 HD1 TYR 24 34.367 25.840 34.559
179 HE1 TYR 24 HE2 TYR 24 32.393 29.529 31.869
180 HE2 TYR 24 HE1 TYR 24 34.964 28.202 35.077
181 HH TYR 24 HH TYR 24 34.558 30.454 34.583
182 H PHE 25 HN PHE 25 29.620 23.842 31.479
183 HA PHE 25 HA PHE 25 29.795 20.892 31.992
184 HB2 PHE 25 HB1 PHE 25 27.536 21.799 32.078
185 HB3 PHE 25 HB2 PHE 25 27.728 22.557 30.507
186 HD1 PHE 25 HD1 PHE 25 27.674 19.253 32.272
187 HD2 PHE 25 HD2 PHE 25 27.198 21.285 28.484
188 HE1 PHE 25 HE1 PHE 25 26.767 17.181 31.264
189 HE2 PHE 25 HE2 PHE 25 26.244 19.223 27.510
190 HZ PHE 25 HZ PHE 25 26.041 17.167 28.879
191 H ASN 26 HN ASN 26 30.299 19.518 30.285
192 HA ASN 26 HA ASN 26 31.641 20.779 27.922
193 HB2 ASN 26 HB1 ASN 26 32.202 18.202 29.414
194 HB3 ASN 26 HB2 ASN 26 32.980 18.711 27.910
195 HD21 ASN 26 2HD2 ASN 26 34.207 20.784 27.911
196 HD22 ASN 26 1HD2 ASN 26 34.974 21.239 29.428
197 HA PRO 27 HA PRO 27 28.012 18.713 26.190
198 HB2 PRO 27 HB1 PRO 27 28.605 20.358 23.759
199 HB3 PRO 27 HB2 PRO 27 27.070 20.169 24.676
200 HG2 PRO 27 HG1 PRO 27 28.561 22.431 24.885
201 HG3 PRO 27 HG2 PRO 27 27.738 21.721 26.305
202 HD2 PRO 27 HD1 PRO 27 30.631 21.418 25.463
203 HD3 PRO 27 HD2 PRO 27 29.951 21.798 27.072
204 H ALA 28 HN ALA 28 31.240 18.760 24.677
205 HA ALA 28 HA ALA 28 30.594 16.924 22.539
206 HB1 ALA 28 HB1 ALA 28 33.272 17.769 23.744
207 HB2 ALA 28 HB2 ALA 28 33.025 16.956 22.187
208 HB3 ALA 28 HB3 ALA 28 32.407 18.595 22.425
209 H THR 29 HN THR 29 32.167 16.445 25.729
210 HA THR 29 HA THR 29 31.249 13.596 25.657
211 HB THR 29 HB THR 29 33.862 14.472 26.948
212 HG1 THR 29 HG1 THR 29 34.576 14.406 25.018
213 HG21 THR 29 1HG2 THR 29 32.780 12.476 27.953
214 HG22 THR 29 2HG2 THR 29 32.670 11.727 26.342
215 HG23 THR 29 3HG2 THR 29 34.255 12.042 27.080
216 H ARG 30 HN ARG 30 29.468 13.944 26.909
217 HA ARG 30 HA ARG 30 28.948 15.890 28.668
218 HB2 ARG 30 HB1 ARG 30 27.388 14.024 29.840
219 HB3 ARG 30 HB2 ARG 30 27.001 14.982 28.424
220 HG2 ARG 30 HG1 ARG 30 27.661 13.247 26.928
221 HG3 ARG 30 HG2 ARG 30 28.253 12.227 28.251
222 HD2 ARG 30 HD1 ARG 30 25.344 13.151 28.023
223 HD3 ARG 30 HD2 ARG 30 25.939 11.647 27.305
224 HE ARG 30 HE ARG 30 26.763 11.624 29.998
225 HH11 ARG 30 1HH1 ARG 30 23.636 11.305 28.267
226 HH12 ARG 30 2HH1 ARG 30 23.070 10.196 29.493
227 HH21 ARG 30 1HH2 ARG 30 25.915 10.322 31.438
228 HH22 ARG 30 2HH2 ARG 30 24.320 9.606 31.204
229 H GLU 31 HN GLU 31 29.959 16.594 30.276
230 HA GLU 31 HA GLU 31 30.661 15.262 32.743
231 HB2 GLU 31 HB1 GLU 31 32.436 14.622 30.800
232 HB3 GLU 31 HB2 GLU 31 33.013 16.244 31.121
233 HG2 GLU 31 HG1 GLU 31 34.341 14.704 32.345
234 HG3 GLU 31 HG2 GLU 31 33.359 15.558 33.533
235 H SER 32 HN SER 32 32.244 17.037 33.964
236 HA SER 32 HA SER 32 31.499 19.773 33.060
237 HB2 SER 32 HB1 SER 32 31.431 20.502 35.414
238 HB3 SER 32 HB2 SER 32 30.163 19.351 35.006
239 HG SER 32 HG SER 32 31.407 19.129 37.077
240 H ARG 33 HN ARG 33 32.957 21.474 34.039
241 HA ARG 33 HA ARG 33 35.749 20.639 34.421
242 HB2 ARG 33 HB1 ARG 33 34.988 21.519 31.946
243 HB3 ARG 33 HB2 ARG 33 35.232 23.065 32.716
244 HG2 ARG 33 HG1 ARG 33 37.220 22.406 31.534
245 HG3 ARG 33 HG2 ARG 33 37.522 22.468 33.285
246 HD2 ARG 33 HD1 ARG 33 38.464 20.473 31.768
247 HD3 ARG 33 HD2 ARG 33 38.030 20.276 33.455
248 HE ARG 33 HE ARG 33 35.876 19.328 32.850
249 HH11 ARG 33 1HH1 ARG 33 38.269 19.094 30.212
250 HH12 ARG 33 2HH1 ARG 33 37.447 17.684 29.590
251 HH21 ARG 33 1HH2 ARG 33 34.862 17.804 31.888
252 HH22 ARG 33 2HH2 ARG 33 35.423 17.094 30.380
253 H TRP 34 HN TRP 34 36.818 21.850 35.796
254 HA TRP 34 HA TRP 34 35.052 23.381 37.627
255 HB2 TRP 34 HB1 TRP 34 37.361 21.684 38.537
256 HB3 TRP 34 HB2 TRP 34 35.792 21.943 39.274
257 HD1 TRP 34 HD1 TRP 34 33.808 20.348 38.450
258 HE1 TRP 34 HE1 TRP 34 33.720 18.153 37.127
259 HE3 TRP 34 HE3 TRP 34 38.519 20.410 36.459
260 HZ2 TRP 34 HZ2 TRP 34 35.524 16.553 35.521
261 HZ3 TRP 34 HZ3 TRP 34 39.304 18.548 35.027
262 HH2 TRP 34 HH2 TRP 34 37.819 16.615 34.559
263 H GLU 35 HN GLU 35 38.490 23.031 36.728
264 HA GLU 35 HA GLU 35 39.150 25.795 37.491
265 HB2 GLU 35 HB1 GLU 35 40.644 23.328 38.526
266 HB3 GLU 35 HB2 GLU 35 41.182 24.997 38.696
267 HG2 GLU 35 HG1 GLU 35 38.959 25.444 39.903
268 HG3 GLU 35 HG2 GLU 35 38.761 23.696 39.989
269 HA PRO 36 HA PRO 36 40.661 25.942 33.661
270 HB2 PRO 36 HB1 PRO 36 43.262 27.029 33.675
271 HB3 PRO 36 HB2 PRO 36 41.704 27.900 33.777
272 HG2 PRO 36 HG1 PRO 36 43.510 27.001 36.026
273 HG3 PRO 36 HG2 PRO 36 42.646 28.563 35.841
274 HD2 PRO 36 HD1 PRO 36 41.670 26.658 37.447
275 HD3 PRO 36 HD2 PRO 36 40.552 27.559 36.384
276 HA PRO 37 HA PRO 37 42.694 21.965 33.219
277 HB2 PRO 37 HB1 PRO 37 41.781 21.238 30.761
278 HB3 PRO 37 HB2 PRO 37 40.776 21.260 32.239
279 HG2 PRO 37 HG1 PRO 37 40.912 23.322 30.068
280 HG3 PRO 37 HG2 PRO 37 39.477 22.643 30.880
281 HD2 PRO 37 HD1 PRO 37 40.560 25.040 31.634
282 HD3 PRO 37 HD2 PRO 37 39.782 23.929 32.798
283 H ALA 38 HN ALA 38 44.266 20.849 31.700
284 HA ALA 38 HA ALA 38 46.467 22.636 31.280
285 HB1 ALA 38 HB1 ALA 38 46.097 19.701 30.555
286 HB2 ALA 38 HB2 ALA 38 47.647 20.567 30.668
287 HB3 ALA 38 HB3 ALA 38 46.661 20.324 32.120
288 H ASP 39 HN ASP 39 44.078 21.417 29.019
289 HA ASP 39 HA ASP 39 45.502 22.237 26.614
290 HB2 ASP 39 HB1 ASP 39 43.702 20.466 26.796
291 HB3 ASP 39 HB2 ASP 39 42.519 21.752 27.032
292 H THR 40 HN THR 40 43.661 23.974 28.986
293 HA THR 40 HA THR 40 42.454 25.930 27.285
294 HB THR 40 HB THR 40 42.010 25.041 29.772
295 HG1 THR 40 HG1 THR 40 41.232 27.286 28.377
296 HG21 THR 40 1HG2 THR 40 43.078 27.856 30.270
297 HG22 THR 40 2HG2 THR 40 42.223 26.812 31.414
298 HG23 THR 40 3HG2 THR 40 43.852 26.383 30.868
299 H ASP 41 HN ASP 41 42.742 28.299 27.416
300 HA ASP 41 HA ASP 41 45.612 28.823 26.850
301 HB2 ASP 41 HB1 ASP 41 43.830 28.731 24.998
302 HB3 ASP 41 HB2 ASP 41 43.150 30.160 25.710
303 H MET 42 HN MET 42 44.835 29.154 29.464
304 HA MET 42 HA MET 42 44.193 31.298 30.766
305 HB2 MET 42 HB1 MET 42 46.930 30.056 30.968
306 HB3 MET 42 HB2 MET 42 46.266 31.224 32.124
307 HG2 MET 42 HG1 MET 42 44.170 29.705 32.238
308 HG3 MET 42 HG2 MET 42 45.148 28.484 31.430
309 HE1 MET 42 HE1 MET 42 48.050 28.809 32.679
310 HE2 MET 42 HE2 MET 42 47.894 27.554 33.915
311 HE3 MET 42 HE3 MET 42 47.156 27.311 32.325
312 H GLU 43 HN GLU 43 47.193 31.741 28.706
313 HA GLU 43 HA GLU 43 47.577 34.447 29.255
314 HB2 GLU 43 HB1 GLU 43 49.097 33.198 27.888
315 HB3 GLU 43 HB2 GLU 43 47.884 32.959 26.617
316 HG2 GLU 43 HG1 GLU 43 47.964 35.232 25.945
317 HG3 GLU 43 HG2 GLU 43 48.661 35.743 27.486
318 H THR 44 HN THR 44 45.262 33.192 26.828
319 HA THR 44 HA THR 44 44.024 35.748 26.105
320 HB THR 44 HB THR 44 43.089 32.835 25.882
321 HG1 THR 44 HG1 THR 44 44.315 32.805 24.245
322 HG21 THR 44 1HG2 THR 44 42.064 35.351 24.472
323 HG22 THR 44 2HG2 THR 44 41.590 33.673 24.114
324 HG23 THR 44 3HG2 THR 44 41.156 34.389 25.663
325 H LEU 45 HN LEU 45 43.618 33.333 28.588
326 HA LEU 45 HA LEU 45 40.744 33.937 28.826
327 HB2 LEU 45 HB1 LEU 45 41.720 31.713 28.325
328 HB3 LEU 45 HB2 LEU 45 42.595 31.770 29.800
329 HG LEU 45 HG LEU 45 40.531 31.690 31.064
330 HD11 LEU 45 1HD1 LEU 45 39.039 30.700 28.679
331 HD12 LEU 45 2HD1 LEU 45 38.470 31.012 30.290
332 HD13 LEU 45 3HD1 LEU 45 38.927 32.386 29.254
333 HD21 LEU 45 3HD2 LEU 45 41.253 29.373 29.287
334 HD22 LEU 45 1HD2 LEU 45 41.871 29.768 30.898
335 HD23 LEU 45 2HD2 LEU 45 40.193 29.237 30.711
336 H LYS 46 HN LYS 46 43.680 34.601 30.641
337 HA LYS 46 HA LYS 46 42.423 35.411 33.120
338 HB2 LYS 46 HB1 LYS 46 45.004 35.982 31.672
339 HB3 LYS 46 HB2 LYS 46 44.430 37.220 32.768
340 HG2 LYS 46 HG1 LYS 46 45.853 35.975 34.059
341 HG3 LYS 46 HG2 LYS 46 44.256 35.510 34.607
342 HD2 LYS 46 HD1 LYS 46 45.715 33.838 32.539
343 HD3 LYS 46 HD2 LYS 46 46.222 33.754 34.203
344 HE2 LYS 46 HE1 LYS 46 43.317 33.249 33.409
345 HE3 LYS 46 HE2 LYS 46 44.547 31.978 33.443
346 HZ1 LYS 46 HZ1 LYS 46 44.998 32.515 35.759
347 HZ2 LYS 46 HZ2 LYS 46 43.827 33.653 35.779
348 HZ3 LYS 46 HZ3 LYS 46 43.427 32.072 35.601
349 H MET 47 HN MET 47 42.440 36.908 29.875
350 HA MET 47 HA MET 47 41.353 39.459 30.712
351 HB2 MET 47 HB1 MET 47 40.890 38.063 28.049
352 HB3 MET 47 HB2 MET 47 40.754 39.779 28.401
353 HG2 MET 47 HG1 MET 47 43.330 38.164 28.437
354 HG3 MET 47 HG2 MET 47 42.821 39.292 27.193
355 HE1 MET 47 HE1 MET 47 45.978 40.716 29.127
356 HE2 MET 47 HE2 MET 47 45.509 39.009 29.125
357 HE3 MET 47 HE3 MET 47 45.402 39.954 27.623
358 H TYR 48 HN TYR 48 39.979 36.306 30.609
359 HA TYR 48 HA TYR 48 37.165 37.297 30.730
360 HB2 TYR 48 HB1 TYR 48 37.484 35.662 29.057
361 HB3 TYR 48 HB2 TYR 48 38.540 34.656 30.033
362 HD1 TYR 48 HD2 TYR 48 34.990 35.955 29.991
363 HD2 TYR 48 HD1 TYR 48 37.724 32.836 31.138
364 HE1 TYR 48 HE2 TYR 48 33.075 34.528 30.689
365 HE2 TYR 48 HE1 TYR 48 35.832 31.355 31.685
366 HH TYR 48 HH TYR 48 33.556 31.258 32.057
367 H MET 49 HN MET 49 39.475 35.171 32.440
368 HA MET 49 HA MET 49 37.696 34.618 34.659
369 HB2 MET 49 HB1 MET 49 40.652 34.019 34.165
370 HB3 MET 49 HB2 MET 49 39.721 33.421 35.551
371 HG2 MET 49 HG1 MET 49 38.129 32.357 33.891
372 HG3 MET 49 HG2 MET 49 39.261 32.825 32.621
373 HE1 MET 49 HE1 MET 49 39.316 29.155 35.171
374 HE2 MET 49 HE2 MET 49 38.539 30.664 35.681
375 HE3 MET 49 HE3 MET 49 38.043 29.883 34.167
376 H ALA 50 HN ALA 50 39.570 37.390 34.065
377 HA ALA 50 HA ALA 50 39.334 38.172 36.922
378 HB1 ALA 50 HB1 ALA 50 41.651 38.948 35.097
379 HB2 ALA 50 HB2 ALA 50 41.491 39.266 36.829
380 HB3 ALA 50 HB3 ALA 50 41.737 37.611 36.255
381 H THR 51 HN THR 51 38.992 40.430 37.295
382 HA THR 51 HA THR 51 37.425 41.744 35.180
383 HB THR 51 HB THR 51 36.467 41.675 37.357
384 HG1 THR 51 HG1 THR 51 36.076 43.901 37.584
385 HG21 THR 51 1HG2 THR 51 37.257 42.930 39.278
386 HG22 THR 51 2HG2 THR 51 38.428 41.692 38.856
387 HG23 THR 51 3HG2 THR 51 38.745 43.390 38.437
388 H TYR 52 HN TYR 52 40.321 42.665 37.112
389 HA TYR 52 HA TYR 52 40.643 45.154 35.679
390 HB2 TYR 52 HB1 TYR 52 41.205 44.775 38.055
391 HB3 TYR 52 HB2 TYR 52 42.495 43.679 37.580
392 HD1 TYR 52 HD1 TYR 52 41.371 47.197 37.660
393 HD2 TYR 52 HD2 TYR 52 44.581 44.523 36.598
394 HE1 TYR 52 HE1 TYR 52 42.891 49.134 37.411
395 HE2 TYR 52 HE2 TYR 52 46.102 46.453 36.337
396 HH TYR 52 HH TYR 52 45.071 49.804 37.094
397 H HIS 53 HN HIS 53 41.755 45.631 33.901
398 HA HIS 53 HA HIS 53 43.369 43.590 32.451
399 HB2 HIS 53 HB1 HIS 53 42.362 46.366 31.671
400 HB3 HIS 53 HB2 HIS 53 43.344 45.335 30.642
401 HD1 HIS 53 HD1 HIS 53 39.936 46.338 30.741
402 HD2 HIS 53 HD2 HIS 53 41.988 42.631 30.514
403 HE1 HIS 53 HE1 HIS 53 38.339 44.654 29.647
Start of MODEL 15
1 H SER 1 H SER 1 24.820 37.567 30.921
2 HA SER 1 HA SER 1 25.652 39.022 28.502
3 HB2 SER 1 HB1 SER 1 27.208 38.558 31.079
4 HB3 SER 1 HB2 SER 1 27.860 39.251 29.582
5 HG SER 1 HG SER 1 27.248 40.859 31.042
6 H MET 2 HN MET 2 26.761 37.822 27.045
7 HA MET 2 HA MET 2 27.430 34.980 27.567
8 HB2 MET 2 HB1 MET 2 27.971 36.757 25.154
9 HB3 MET 2 HB2 MET 2 28.263 35.024 25.242
10 HG2 MET 2 HG1 MET 2 25.554 36.402 25.355
11 HG3 MET 2 HG2 MET 2 26.237 35.515 24.005
12 HE1 MET 2 HE1 MET 2 24.369 33.953 23.520
13 HE2 MET 2 HE2 MET 2 23.328 33.218 24.756
14 HE3 MET 2 HE3 MET 2 23.461 34.990 24.630
15 H VAL 3 HN VAL 3 29.698 34.273 27.147
16 HA VAL 3 HA VAL 3 31.811 36.324 27.564
17 HB VAL 3 HB VAL 3 32.964 34.886 29.232
18 HG11 VAL 3 1HG1 VAL 3 30.279 35.930 30.212
19 HG12 VAL 3 2HG1 VAL 3 31.760 35.711 31.160
20 HG13 VAL 3 3HG1 VAL 3 31.713 36.930 29.880
21 HG21 VAL 3 3HG2 VAL 3 30.284 33.433 29.464
22 HG22 VAL 3 1HG2 VAL 3 31.836 32.724 28.967
23 HG23 VAL 3 2HG2 VAL 3 31.619 33.307 30.614
24 H ASN 4 HN ASN 4 33.571 36.021 26.362
25 HA ASN 4 HA ASN 4 34.077 33.486 24.936
26 HB2 ASN 4 HB1 ASN 4 35.740 36.043 25.107
27 HB3 ASN 4 HB2 ASN 4 36.127 34.651 24.125
28 HD21 ASN 4 2HD2 ASN 4 35.062 37.644 23.590
29 HD22 ASN 4 1HD2 ASN 4 33.899 37.302 22.309
30 H THR 5 HN THR 5 35.517 31.935 25.501
31 HA THR 5 HA THR 5 37.355 32.274 27.874
32 HB THR 5 HB THR 5 36.833 30.037 28.568
33 HG1 THR 5 HG1 THR 5 34.375 30.037 27.222
34 HG21 THR 5 1HG2 THR 5 35.843 31.961 29.625
35 HG22 THR 5 2HG2 THR 5 34.414 31.885 28.589
36 HG23 THR 5 3HG2 THR 5 34.752 30.567 29.733
37 H GLY 6 HN GLY 6 39.295 31.724 27.327
38 HA2 GLY 6 HA1 GLY 6 40.087 30.030 25.151
39 HA3 GLY 6 HA2 GLY 6 41.069 30.471 26.513
40 H LEU 7 HN LEU 7 37.980 28.872 27.186
41 HA LEU 7 HA LEU 7 39.429 26.852 28.626
42 HB2 LEU 7 HB1 LEU 7 36.535 27.456 28.146
43 HB3 LEU 7 HB2 LEU 7 36.982 25.915 28.862
44 HG LEU 7 HG LEU 7 37.975 28.563 30.015
45 HD11 LEU 7 1HD1 LEU 7 35.446 28.430 30.002
46 HD12 LEU 7 2HD1 LEU 7 35.557 26.912 30.898
47 HD13 LEU 7 3HD1 LEU 7 36.139 28.421 31.634
48 HD21 LEU 7 3HD2 LEU 7 37.743 25.749 31.183
49 HD22 LEU 7 1HD2 LEU 7 39.254 26.579 30.751
50 HD23 LEU 7 2HD2 LEU 7 38.260 27.194 32.075
51 HA PRO 8 HA PRO 8 39.688 23.796 25.366
52 HB2 PRO 8 HB1 PRO 8 40.159 21.514 26.634
53 HB3 PRO 8 HB2 PRO 8 41.183 22.922 26.969
54 HG2 PRO 8 HG1 PRO 8 38.732 22.051 28.562
55 HG3 PRO 8 HG2 PRO 8 40.416 22.258 29.130
56 HD2 PRO 8 HD1 PRO 8 38.547 24.285 29.274
57 HD3 PRO 8 HD2 PRO 8 40.270 24.591 28.996
58 H ALA 9 HN ALA 9 38.464 21.009 26.144
59 HA ALA 9 HA ALA 9 36.036 21.284 24.684
60 HB1 ALA 9 HB1 ALA 9 36.975 19.015 26.497
61 HB2 ALA 9 HB2 ALA 9 35.739 18.905 25.231
62 HB3 ALA 9 HB3 ALA 9 37.426 19.230 24.789
63 H GLY 10 HN GLY 10 36.576 21.637 28.114
64 HA2 GLY 10 HA1 GLY 10 33.657 21.621 28.764
65 HA3 GLY 10 HA2 GLY 10 34.991 21.474 29.937
66 H TRP 11 HN TRP 11 33.372 23.597 27.718
67 HA TRP 11 HA TRP 11 34.660 26.002 28.944
68 HB2 TRP 11 HB1 TRP 11 34.594 26.959 26.709
69 HB3 TRP 11 HB2 TRP 11 35.463 25.443 26.716
70 HD1 TRP 11 HD1 TRP 11 34.472 23.442 25.311
71 HE1 TRP 11 HE1 TRP 11 32.673 23.221 23.509
72 HE3 TRP 11 HE3 TRP 11 32.261 28.019 25.875
73 HZ2 TRP 11 HZ2 TRP 11 30.396 24.762 22.604
74 HZ3 TRP 11 HZ3 TRP 11 30.314 28.632 24.476
75 HH2 TRP 11 HH2 TRP 11 29.354 27.015 22.856
76 H GLU 12 HN GLU 12 31.474 24.810 28.058
77 HA GLU 12 HA GLU 12 30.413 27.529 27.775
78 HB2 GLU 12 HB1 GLU 12 29.645 25.703 26.318
79 HB3 GLU 12 HB2 GLU 12 29.038 24.829 27.714
80 HG2 GLU 12 HG1 GLU 12 27.170 25.807 26.683
81 HG3 GLU 12 HG2 GLU 12 27.431 26.745 28.144
82 H VAL 13 HN VAL 13 30.008 28.763 29.555
83 HA VAL 13 HA VAL 13 29.808 27.726 32.201
84 HB VAL 13 HB VAL 13 28.710 30.404 31.274
85 HG11 VAL 13 1HG1 VAL 13 29.762 29.532 33.992
86 HG12 VAL 13 2HG1 VAL 13 29.192 31.158 33.572
87 HG13 VAL 13 3HG1 VAL 13 28.044 29.819 33.603
88 HG21 VAL 13 3HG2 VAL 13 31.525 29.749 32.232
89 HG22 VAL 13 1HG2 VAL 13 31.092 30.204 30.584
90 HG23 VAL 13 2HG2 VAL 13 30.893 31.366 31.895
91 H ARG 14 HN ARG 14 28.195 26.880 33.359
92 HA ARG 14 HA ARG 14 25.343 27.453 32.682
93 HB2 ARG 14 HB1 ARG 14 26.695 24.832 33.419
94 HB3 ARG 14 HB2 ARG 14 24.945 25.050 33.509
95 HG2 ARG 14 HG1 ARG 14 26.565 25.347 30.944
96 HG3 ARG 14 HG2 ARG 14 25.774 23.855 31.464
97 HD2 ARG 14 HD1 ARG 14 23.584 24.882 31.391
98 HD3 ARG 14 HD2 ARG 14 24.298 26.456 31.063
99 HE ARG 14 HE ARG 14 24.326 24.106 29.195
100 HH11 ARG 14 1HH1 ARG 14 24.123 27.657 29.491
101 HH12 ARG 14 2HH1 ARG 14 24.387 27.843 27.767
102 HH21 ARG 14 1HH2 ARG 14 24.427 24.498 27.038
103 HH22 ARG 14 2HH2 ARG 14 24.445 26.158 26.441
104 H HIS 15 HN HIS 15 24.101 28.017 34.352
105 HA HIS 15 HA HIS 15 25.215 27.928 37.128
106 HB2 HIS 15 HB1 HIS 15 24.873 30.196 37.479
107 HB3 HIS 15 HB2 HIS 15 25.615 30.126 35.883
108 HD1 HIS 15 HD1 HIS 15 22.681 31.619 37.649
109 HD2 HIS 15 HD2 HIS 15 23.670 30.220 33.758
110 HE1 HIS 15 HE1 HIS 15 20.914 32.522 36.035
111 H SER 16 HN SER 16 22.574 26.949 35.351
112 HA SER 16 HA SER 16 20.678 26.983 37.639
113 HB2 SER 16 HB1 SER 16 19.855 26.783 35.306
114 HB3 SER 16 HB2 SER 16 20.710 25.240 35.162
115 HG SER 16 HG SER 16 18.395 25.213 35.780
116 H ASN 17 HN ASN 17 22.081 26.417 39.283
117 HA ASN 17 HA ASN 17 22.784 23.773 39.896
118 HB2 ASN 17 HB1 ASN 17 24.434 23.884 38.103
119 HB3 ASN 17 HB2 ASN 17 25.033 25.440 38.698
120 HD21 ASN 17 2HD2 ASN 17 24.666 21.966 39.574
121 HD22 ASN 17 1HD2 ASN 17 25.960 21.973 40.763
122 H SER 18 HN SER 18 22.641 23.871 41.996
123 HA SER 18 HA SER 18 22.578 26.370 43.431
124 HB2 SER 18 HB1 SER 18 22.389 23.508 44.416
125 HB3 SER 18 HB2 SER 18 21.941 24.955 45.333
126 HG SER 18 HG SER 18 20.419 25.448 43.638
127 H LYS 19 HN LYS 19 25.368 24.601 42.752
128 HA LYS 19 HA LYS 19 26.673 24.849 45.311
129 HB2 LYS 19 HB1 LYS 19 27.106 23.238 43.359
130 HB3 LYS 19 HB2 LYS 19 27.947 24.571 42.576
131 HG2 LYS 19 HG1 LYS 19 29.597 23.172 43.538
132 HG3 LYS 19 HG2 LYS 19 29.562 24.622 44.494
133 HD2 LYS 19 HD1 LYS 19 29.759 22.966 46.107
134 HD3 LYS 19 HD2 LYS 19 28.041 23.331 46.148
135 HE2 LYS 19 HE1 LYS 19 28.233 20.965 46.219
136 HE3 LYS 19 HE2 LYS 19 27.674 21.352 44.587
137 HZ1 LYS 19 HZ1 LYS 19 30.494 20.740 45.353
138 HZ2 LYS 19 HZ2 LYS 19 29.463 19.739 44.557
139 HZ3 LYS 19 HZ3 LYS 19 29.999 21.101 43.836
140 H ASN 20 HN ASN 20 28.967 26.056 45.214
141 HA ASN 20 HA ASN 20 28.431 28.768 45.672
142 HB2 ASN 20 HB1 ASN 20 31.115 27.415 45.123
143 HB3 ASN 20 HB2 ASN 20 30.869 28.950 45.936
144 HD21 ASN 20 2HD2 ASN 20 30.375 28.941 48.161
145 HD22 ASN 20 1HD2 ASN 20 30.192 27.449 49.081
146 H LEU 21 HN LEU 21 30.017 27.275 42.831
147 HA LEU 21 HA LEU 21 29.917 29.865 41.329
148 HB2 LEU 21 HB1 LEU 21 32.057 27.729 41.627
149 HB3 LEU 21 HB2 LEU 21 31.904 28.547 40.094
150 HG LEU 21 HG LEU 21 32.263 30.742 41.153
151 HD11 LEU 21 1HD1 LEU 21 32.610 29.100 43.692
152 HD12 LEU 21 2HD1 LEU 21 33.305 30.720 43.487
153 HD13 LEU 21 3HD1 LEU 21 31.567 30.518 43.425
154 HD21 LEU 21 3HD2 LEU 21 34.416 28.676 41.783
155 HD22 LEU 21 1HD2 LEU 21 34.121 29.391 40.185
156 HD23 LEU 21 2HD2 LEU 21 34.665 30.416 41.516
157 HA PRO 22 HA PRO 22 27.928 27.441 38.054
158 HB2 PRO 22 HB1 PRO 22 28.783 28.669 35.775
159 HB3 PRO 22 HB2 PRO 22 27.625 29.426 36.907
160 HG2 PRO 22 HG1 PRO 22 30.604 29.889 36.714
161 HG3 PRO 22 HG2 PRO 22 29.302 31.106 36.852
162 HD2 PRO 22 HD1 PRO 22 30.751 30.236 39.013
163 HD3 PRO 22 HD2 PRO 22 29.038 30.709 39.153
164 H TYR 23 HN TYR 23 28.452 26.002 36.280
165 HA TYR 23 HA TYR 23 31.232 24.891 36.439
166 HB2 TYR 23 HB1 TYR 23 30.385 22.731 36.056
167 HB3 TYR 23 HB2 TYR 23 29.486 23.413 37.387
168 HD1 TYR 23 HD1 TYR 23 27.076 24.231 36.971
169 HD2 TYR 23 HD2 TYR 23 29.301 21.932 34.090
170 HE1 TYR 23 HE1 TYR 23 24.947 23.587 35.831
171 HE2 TYR 23 HE2 TYR 23 27.178 21.245 32.990
172 HH TYR 23 HH TYR 23 23.981 22.401 34.122
173 H TYR 24 HN TYR 24 32.289 24.284 34.527
174 HA TYR 24 HA TYR 24 31.221 25.547 32.053
175 HB2 TYR 24 HB1 TYR 24 33.943 24.302 32.480
176 HB3 TYR 24 HB2 TYR 24 33.434 25.398 31.207
177 HD1 TYR 24 HD2 TYR 24 32.080 27.569 32.661
178 HD2 TYR 24 HD1 TYR 24 35.645 25.381 33.679
179 HE1 TYR 24 HE2 TYR 24 32.842 29.472 34.067
180 HE2 TYR 24 HE1 TYR 24 36.437 27.299 35.051
181 HH TYR 24 HH TYR 24 35.864 29.368 35.951
182 H PHE 25 HN PHE 25 29.778 24.256 31.110
183 HA PHE 25 HA PHE 25 29.804 21.384 31.238
184 HB2 PHE 25 HB1 PHE 25 27.755 22.685 31.060
185 HB3 PHE 25 HB2 PHE 25 28.270 23.370 29.526
186 HD1 PHE 25 HD1 PHE 25 27.985 19.881 30.992
187 HD2 PHE 25 HD2 PHE 25 27.132 22.502 27.666
188 HE1 PHE 25 HE1 PHE 25 26.939 18.004 29.767
189 HE2 PHE 25 HE2 PHE 25 25.998 20.643 26.502
190 HZ PHE 25 HZ PHE 25 25.927 18.391 27.515
191 H ASN 26 HN ASN 26 30.249 19.876 29.737
192 HA ASN 26 HA ASN 26 32.082 20.584 27.507
193 HB2 ASN 26 HB1 ASN 26 32.821 19.155 29.446
194 HB3 ASN 26 HB2 ASN 26 31.612 17.964 28.976
195 HD21 ASN 26 2HD2 ASN 26 31.912 16.839 26.925
196 HD22 ASN 26 1HD2 ASN 26 33.507 16.787 26.160
197 HA PRO 27 HA PRO 27 27.954 19.625 25.688
198 HB2 PRO 27 HB1 PRO 27 28.269 20.915 23.234
199 HB3 PRO 27 HB2 PRO 27 27.676 21.635 24.743
200 HG2 PRO 27 HG1 PRO 27 30.490 21.684 23.633
201 HG3 PRO 27 HG2 PRO 27 29.544 23.044 24.325
202 HD2 PRO 27 HD1 PRO 27 31.368 21.771 25.832
203 HD3 PRO 27 HD2 PRO 27 29.780 22.212 26.527
204 H ALA 28 HN ALA 28 31.086 18.902 24.145
205 HA ALA 28 HA ALA 28 29.909 17.236 22.120
206 HB1 ALA 28 HB1 ALA 28 32.762 17.414 23.186
207 HB2 ALA 28 HB2 ALA 28 32.272 16.621 21.675
208 HB3 ALA 28 HB3 ALA 28 32.077 18.374 21.858
209 H THR 29 HN THR 29 30.359 16.609 25.452
210 HA THR 29 HA THR 29 29.434 13.882 25.365
211 HB THR 29 HB THR 29 32.408 14.340 25.864
212 HG1 THR 29 HG1 THR 29 31.538 13.631 23.826
213 HG21 THR 29 1HG2 THR 29 30.705 12.042 26.911
214 HG22 THR 29 2HG2 THR 29 32.463 11.940 26.663
215 HG23 THR 29 3HG2 THR 29 31.806 13.091 27.828
216 H ARG 30 HN ARG 30 28.218 13.777 27.165
217 HA ARG 30 HA ARG 30 27.982 15.809 28.996
218 HB2 ARG 30 HB1 ARG 30 27.269 12.885 29.337
219 HB3 ARG 30 HB2 ARG 30 26.696 14.168 30.405
220 HG2 ARG 30 HG1 ARG 30 26.090 13.925 27.423
221 HG3 ARG 30 HG2 ARG 30 24.996 13.516 28.746
222 HD2 ARG 30 HD1 ARG 30 25.034 15.900 29.486
223 HD3 ARG 30 HD2 ARG 30 26.097 16.282 28.139
224 HE ARG 30 HE ARG 30 24.354 16.119 26.626
225 HH11 ARG 30 1HH1 ARG 30 23.068 15.232 29.838
226 HH12 ARG 30 2HH1 ARG 30 21.445 15.622 29.338
227 HH21 ARG 30 1HH2 ARG 30 22.232 16.460 26.091
228 HH22 ARG 30 2HH2 ARG 30 20.958 16.188 27.278
229 H GLU 31 HN GLU 31 29.664 16.626 29.911
230 HA GLU 31 HA GLU 31 30.803 15.505 32.305
231 HB2 GLU 31 HB1 GLU 31 32.143 14.442 30.491
232 HB3 GLU 31 HB2 GLU 31 32.609 16.030 29.910
233 HG2 GLU 31 HG1 GLU 31 34.343 14.829 31.233
234 HG3 GLU 31 HG2 GLU 31 33.969 16.418 31.860
235 H SER 32 HN SER 32 32.640 17.270 33.086
236 HA SER 32 HA SER 32 32.113 19.963 32.068
237 HB2 SER 32 HB1 SER 32 31.324 20.957 34.033
238 HB3 SER 32 HB2 SER 32 30.318 19.532 33.786
239 HG SER 32 HG SER 32 31.927 18.514 35.383
240 H ARG 33 HN ARG 33 33.339 21.629 33.361
241 HA ARG 33 HA ARG 33 35.871 20.766 34.597
242 HB2 ARG 33 HB1 ARG 33 36.296 21.172 32.150
243 HB3 ARG 33 HB2 ARG 33 35.661 22.795 32.340
244 HG2 ARG 33 HG1 ARG 33 38.027 22.963 32.293
245 HG3 ARG 33 HG2 ARG 33 37.532 23.309 33.950
246 HD2 ARG 33 HD1 ARG 33 39.544 22.024 33.882
247 HD3 ARG 33 HD2 ARG 33 38.251 21.133 34.702
248 HE ARG 33 HE ARG 33 38.261 20.288 32.005
249 HH11 ARG 33 1HH1 ARG 33 40.600 20.089 34.714
250 HH12 ARG 33 2HH1 ARG 33 41.326 18.661 33.998
251 HH21 ARG 33 1HH2 ARG 33 39.142 18.492 31.324
252 HH22 ARG 33 2HH2 ARG 33 40.427 17.668 32.185
253 H TRP 34 HN TRP 34 36.758 22.566 35.877
254 HA TRP 34 HA TRP 34 34.581 24.290 37.001
255 HB2 TRP 34 HB1 TRP 34 36.233 22.771 38.925
256 HB3 TRP 34 HB2 TRP 34 34.508 23.048 38.883
257 HD1 TRP 34 HD1 TRP 34 33.015 21.095 37.964
258 HE1 TRP 34 HE1 TRP 34 33.434 18.771 36.948
259 HE3 TRP 34 HE3 TRP 34 38.096 21.349 37.378
260 HZ2 TRP 34 HZ2 TRP 34 35.665 17.216 36.039
261 HZ3 TRP 34 HZ3 TRP 34 39.347 19.433 36.449
262 HH2 TRP 34 HH2 TRP 34 38.147 17.369 35.751
263 H GLU 35 HN GLU 35 38.026 23.471 37.558
264 HA GLU 35 HA GLU 35 38.714 26.372 37.722
265 HB2 GLU 35 HB1 GLU 35 39.847 23.931 39.104
266 HB3 GLU 35 HB2 GLU 35 40.909 25.294 38.739
267 HG2 GLU 35 HG1 GLU 35 39.392 26.830 39.947
268 HG3 GLU 35 HG2 GLU 35 38.314 25.478 40.322
269 HA PRO 36 HA PRO 36 40.416 26.077 33.854
270 HB2 PRO 36 HB1 PRO 36 42.676 27.662 33.812
271 HB3 PRO 36 HB2 PRO 36 40.996 28.264 33.945
272 HG2 PRO 36 HG1 PRO 36 42.971 27.742 36.190
273 HG3 PRO 36 HG2 PRO 36 41.954 29.194 35.921
274 HD2 PRO 36 HD1 PRO 36 41.192 27.264 37.647
275 HD3 PRO 36 HD2 PRO 36 39.986 28.049 36.586
276 HA PRO 37 HA PRO 37 43.322 22.631 34.185
277 HB2 PRO 37 HB1 PRO 37 42.843 21.388 31.834
278 HB3 PRO 37 HB2 PRO 37 41.587 21.546 33.094
279 HG2 PRO 37 HG1 PRO 37 41.951 23.282 30.658
280 HG3 PRO 37 HG2 PRO 37 40.459 22.487 31.259
281 HD2 PRO 37 HD1 PRO 37 41.083 25.100 31.830
282 HD3 PRO 37 HD2 PRO 37 40.154 24.051 32.944
283 H ALA 38 HN ALA 38 45.252 21.708 33.005
284 HA ALA 38 HA ALA 38 46.990 23.802 32.203
285 HB1 ALA 38 HB1 ALA 38 47.346 20.795 31.923
286 HB2 ALA 38 HB2 ALA 38 48.638 22.016 31.996
287 HB3 ALA 38 HB3 ALA 38 47.622 21.725 33.416
288 H ASP 39 HN ASP 39 44.951 21.859 30.125
289 HA ASP 39 HA ASP 39 46.498 22.275 27.678
290 HB2 ASP 39 HB1 ASP 39 45.128 20.273 28.087
291 HB3 ASP 39 HB2 ASP 39 43.675 21.265 28.166
292 H THR 40 HN THR 40 44.556 24.364 29.430
293 HA THR 40 HA THR 40 42.884 25.494 27.413
294 HB THR 40 HB THR 40 42.697 25.217 29.967
295 HG1 THR 40 HG1 THR 40 41.655 27.033 28.240
296 HG21 THR 40 1HG2 THR 40 43.794 28.053 29.891
297 HG22 THR 40 2HG2 THR 40 43.125 27.186 31.295
298 HG23 THR 40 3HG2 THR 40 44.662 26.672 30.567
299 H ASP 41 HN ASP 41 42.706 28.021 27.165
300 HA ASP 41 HA ASP 41 45.256 28.826 25.897
301 HB2 ASP 41 HB1 ASP 41 43.069 28.409 24.506
302 HB3 ASP 41 HB2 ASP 41 42.504 29.889 25.202
303 H MET 42 HN MET 42 45.111 29.336 28.541
304 HA MET 42 HA MET 42 44.476 31.555 29.772
305 HB2 MET 42 HB1 MET 42 47.300 30.506 29.474
306 HB3 MET 42 HB2 MET 42 46.819 31.721 30.649
307 HG2 MET 42 HG1 MET 42 44.832 29.865 31.043
308 HG3 MET 42 HG2 MET 42 46.157 28.812 30.565
309 HE1 MET 42 HE1 MET 42 48.129 28.244 31.922
310 HE2 MET 42 HE2 MET 42 48.738 29.912 31.786
311 HE3 MET 42 HE3 MET 42 48.694 29.106 33.366
312 H GLU 43 HN GLU 43 46.544 32.013 26.797
313 HA GLU 43 HA GLU 43 46.930 34.798 27.352
314 HB2 GLU 43 HB1 GLU 43 48.137 33.268 25.640
315 HB3 GLU 43 HB2 GLU 43 46.747 33.530 24.588
316 HG2 GLU 43 HG1 GLU 43 48.376 35.048 23.854
317 HG3 GLU 43 HG2 GLU 43 47.282 36.059 24.794
318 H THR 44 HN THR 44 44.176 33.108 25.978
319 HA THR 44 HA THR 44 42.608 35.598 25.401
320 HB THR 44 HB THR 44 42.003 32.555 25.131
321 HG1 THR 44 HG1 THR 44 43.125 32.669 23.438
322 HG21 THR 44 1HG2 THR 44 40.503 34.939 23.908
323 HG22 THR 44 2HG2 THR 44 40.291 33.249 23.417
324 HG23 THR 44 3HG2 THR 44 39.833 33.748 25.038
325 H LEU 45 HN LEU 45 43.339 33.802 28.089
326 HA LEU 45 HA LEU 45 40.505 33.782 29.041
327 HB2 LEU 45 HB1 LEU 45 41.299 31.768 27.978
328 HB3 LEU 45 HB2 LEU 45 42.657 31.682 29.039
329 HG LEU 45 HG LEU 45 40.988 31.462 30.932
330 HD11 LEU 45 1HD1 LEU 45 39.076 30.293 28.970
331 HD12 LEU 45 2HD1 LEU 45 38.860 30.667 30.656
332 HD13 LEU 45 3HD1 LEU 45 38.941 31.998 29.473
333 HD21 LEU 45 3HD2 LEU 45 41.545 29.297 28.941
334 HD22 LEU 45 1HD2 LEU 45 42.416 29.721 30.425
335 HD23 LEU 45 2HD2 LEU 45 40.806 28.993 30.538
336 H LYS 46 HN LYS 46 43.836 34.530 29.954
337 HA LYS 46 HA LYS 46 43.213 35.126 32.747
338 HB2 LYS 46 HB1 LYS 46 45.346 35.810 30.740
339 HB3 LYS 46 HB2 LYS 46 45.038 36.997 31.989
340 HG2 LYS 46 HG1 LYS 46 46.859 35.536 32.572
341 HG3 LYS 46 HG2 LYS 46 45.556 35.438 33.743
342 HD2 LYS 46 HD1 LYS 46 45.737 33.446 31.478
343 HD3 LYS 46 HD2 LYS 46 46.834 33.279 32.840
344 HE2 LYS 46 HE1 LYS 46 43.786 33.250 33.070
345 HE3 LYS 46 HE2 LYS 46 44.833 31.836 33.079
346 HZ1 LYS 46 HZ1 LYS 46 45.927 32.710 35.074
347 HZ2 LYS 46 HZ2 LYS 46 44.931 34.007 35.104
348 HZ3 LYS 46 HZ3 LYS 46 44.330 32.515 35.366
349 H MET 47 HN MET 47 42.798 36.910 29.646
350 HA MET 47 HA MET 47 41.542 39.176 30.850
351 HB2 MET 47 HB1 MET 47 41.020 39.867 28.667
352 HB3 MET 47 HB2 MET 47 42.542 38.987 28.511
353 HG2 MET 47 HG1 MET 47 41.446 37.078 27.605
354 HG3 MET 47 HG2 MET 47 39.842 37.782 27.846
355 HE1 MET 47 HE1 MET 47 38.799 37.840 25.562
356 HE2 MET 47 HE2 MET 47 39.777 37.929 24.080
357 HE3 MET 47 HE3 MET 47 40.090 36.662 25.283
358 H TYR 48 HN TYR 48 40.337 36.010 30.742
359 HA TYR 48 HA TYR 48 37.491 36.901 31.056
360 HB2 TYR 48 HB1 TYR 48 37.677 35.209 29.383
361 HB3 TYR 48 HB2 TYR 48 38.847 34.296 30.296
362 HD1 TYR 48 HD2 TYR 48 35.267 35.431 30.532
363 HD2 TYR 48 HD1 TYR 48 38.245 32.528 31.641
364 HE1 TYR 48 HE2 TYR 48 33.523 34.059 31.640
365 HE2 TYR 48 HE1 TYR 48 36.495 31.099 32.650
366 HH TYR 48 HH TYR 48 34.267 30.937 33.240
367 H MET 49 HN MET 49 40.020 34.881 32.539
368 HA MET 49 HA MET 49 38.574 34.183 34.916
369 HB2 MET 49 HB1 MET 49 41.454 33.880 33.969
370 HB3 MET 49 HB2 MET 49 40.951 33.364 35.576
371 HG2 MET 49 HG1 MET 49 39.985 32.323 32.908
372 HG3 MET 49 HG2 MET 49 40.987 31.498 34.082
373 HE1 MET 49 HE1 MET 49 39.299 32.244 36.884
374 HE2 MET 49 HE2 MET 49 38.547 30.644 36.984
375 HE3 MET 49 HE3 MET 49 40.236 30.800 36.456
376 H ALA 50 HN ALA 50 40.191 37.105 34.172
377 HA ALA 50 HA ALA 50 39.293 38.192 36.683
378 HB1 ALA 50 HB1 ALA 50 42.292 38.188 36.097
379 HB2 ALA 50 HB2 ALA 50 41.491 39.157 37.357
380 HB3 ALA 50 HB3 ALA 50 41.486 37.395 37.465
381 H THR 51 HN THR 51 39.086 40.532 36.526
382 HA THR 51 HA THR 51 38.888 41.418 33.720
383 HB THR 51 HB THR 51 37.955 42.624 36.349
384 HG1 THR 51 HG1 THR 51 36.663 40.996 35.649
385 HG21 THR 51 1HG2 THR 51 37.633 43.740 33.522
386 HG22 THR 51 2HG2 THR 51 36.685 44.240 34.940
387 HG23 THR 51 3HG2 THR 51 38.424 44.540 34.903
388 H TYR 52 HN TYR 52 39.870 43.236 32.836
389 HA TYR 52 HA TYR 52 42.656 43.421 33.507
390 HB2 TYR 52 HB1 TYR 52 41.527 43.491 31.205
391 HB3 TYR 52 HB2 TYR 52 41.151 45.174 31.544
392 HD1 TYR 52 HD1 TYR 52 43.086 46.813 31.914
393 HD2 TYR 52 HD2 TYR 52 43.704 42.779 30.529
394 HE1 TYR 52 HE1 TYR 52 45.385 47.409 31.216
395 HE2 TYR 52 HE2 TYR 52 46.002 43.384 29.792
396 HH TYR 52 HH TYR 52 47.317 46.695 30.234
397 H HIS 53 HN HIS 53 43.895 45.101 34.176
398 HA HIS 53 HA HIS 53 43.157 46.713 36.312
399 HB2 HIS 53 HB1 HIS 53 45.450 47.057 34.325
400 HB3 HIS 53 HB2 HIS 53 45.385 47.729 35.953
401 HD1 HIS 53 HD1 HIS 53 46.044 44.374 34.128
402 HD2 HIS 53 HD2 HIS 53 45.718 46.059 38.018
403 HE1 HIS 53 HE1 HIS 53 46.905 42.628 35.792
Start of MODEL 16
1 H SER 1 H SER 1 27.917 40.446 28.179
2 HA SER 1 HA SER 1 26.169 38.727 26.567
3 HB2 SER 1 HB1 SER 1 26.978 40.923 25.560
4 HB3 SER 1 HB2 SER 1 28.608 40.209 25.566
5 HG SER 1 HG SER 1 27.427 39.838 23.602
6 H MET 2 HN MET 2 28.068 37.478 25.067
7 HA MET 2 HA MET 2 29.484 35.653 26.899
8 HB2 MET 2 HB1 MET 2 29.383 35.946 23.875
9 HB3 MET 2 HB2 MET 2 30.392 34.749 24.693
10 HG2 MET 2 HG1 MET 2 27.383 34.941 25.089
11 HG3 MET 2 HG2 MET 2 28.140 33.924 23.873
12 HE1 MET 2 HE1 MET 2 26.713 31.948 24.838
13 HE2 MET 2 HE2 MET 2 26.733 31.433 26.538
14 HE3 MET 2 HE3 MET 2 26.058 33.017 26.106
15 H VAL 3 HN VAL 3 31.727 35.477 27.112
16 HA VAL 3 HA VAL 3 33.387 37.807 26.187
17 HB VAL 3 HB VAL 3 33.832 36.135 28.687
18 HG11 VAL 3 1HG1 VAL 3 34.992 38.802 27.746
19 HG12 VAL 3 2HG1 VAL 3 35.268 38.090 29.350
20 HG13 VAL 3 3HG1 VAL 3 35.867 37.264 27.917
21 HG21 VAL 3 3HG2 VAL 3 32.448 38.849 28.455
22 HG22 VAL 3 1HG2 VAL 3 31.719 37.338 29.044
23 HG23 VAL 3 2HG2 VAL 3 32.993 38.112 29.981
24 H ASN 4 HN ASN 4 35.485 37.355 25.458
25 HA ASN 4 HA ASN 4 35.991 34.865 24.162
26 HB2 ASN 4 HB1 ASN 4 38.034 36.931 25.067
27 HB3 ASN 4 HB2 ASN 4 38.235 35.725 23.805
28 HD21 ASN 4 2HD2 ASN 4 36.277 35.957 21.978
29 HD22 ASN 4 1HD2 ASN 4 36.080 37.625 21.490
30 H THR 5 HN THR 5 36.548 32.932 25.052
31 HA THR 5 HA THR 5 38.133 32.798 27.626
32 HB THR 5 HB THR 5 37.308 30.556 27.889
33 HG1 THR 5 HG1 THR 5 35.211 30.297 26.502
34 HG21 THR 5 1HG2 THR 5 35.102 31.120 28.683
35 HG22 THR 5 2HG2 THR 5 36.238 32.452 28.922
36 HG23 THR 5 3HG2 THR 5 35.029 32.557 27.623
37 H GLY 6 HN GLY 6 39.888 31.639 27.553
38 HA2 GLY 6 HA1 GLY 6 40.835 30.338 25.141
39 HA3 GLY 6 HA2 GLY 6 41.660 30.428 26.666
40 H LEU 7 HN LEU 7 38.371 29.286 26.878
41 HA LEU 7 HA LEU 7 39.372 27.017 28.292
42 HB2 LEU 7 HB1 LEU 7 36.658 28.107 27.684
43 HB3 LEU 7 HB2 LEU 7 36.756 26.439 28.211
44 HG LEU 7 HG LEU 7 38.087 28.694 29.775
45 HD11 LEU 7 1HD1 LEU 7 35.342 27.433 30.210
46 HD12 LEU 7 2HD1 LEU 7 36.132 28.631 31.263
47 HD13 LEU 7 3HD1 LEU 7 35.640 29.081 29.625
48 HD21 LEU 7 3HD2 LEU 7 38.002 27.067 31.650
49 HD22 LEU 7 1HD2 LEU 7 37.307 25.841 30.575
50 HD23 LEU 7 2HD2 LEU 7 38.962 26.422 30.317
51 HA PRO 8 HA PRO 8 39.613 24.138 24.955
52 HB2 PRO 8 HB1 PRO 8 39.588 21.719 26.078
53 HB3 PRO 8 HB2 PRO 8 40.768 22.927 26.651
54 HG2 PRO 8 HG1 PRO 8 38.027 22.358 27.856
55 HG3 PRO 8 HG2 PRO 8 39.629 22.247 28.643
56 HD2 PRO 8 HD1 PRO 8 38.114 24.533 28.740
57 HD3 PRO 8 HD2 PRO 8 39.900 24.574 28.659
58 H ALA 9 HN ALA 9 38.437 22.058 24.007
59 HA ALA 9 HA ALA 9 36.027 22.948 23.006
60 HB1 ALA 9 HB1 ALA 9 35.861 20.698 22.004
61 HB2 ALA 9 HB2 ALA 9 37.523 21.309 21.935
62 HB3 ALA 9 HB3 ALA 9 37.074 20.088 23.150
63 H GLY 10 HN GLY 10 36.346 20.855 25.860
64 HA2 GLY 10 HA1 GLY 10 33.538 20.139 25.939
65 HA3 GLY 10 HA2 GLY 10 34.761 19.822 27.194
66 H TRP 11 HN TRP 11 33.617 22.979 25.892
67 HA TRP 11 HA TRP 11 32.651 23.634 28.637
68 HB2 TRP 11 HB1 TRP 11 33.717 25.642 28.635
69 HB3 TRP 11 HB2 TRP 11 34.877 24.665 27.764
70 HD1 TRP 11 HD1 TRP 11 34.501 24.930 24.901
71 HE1 TRP 11 HE1 TRP 11 34.279 27.097 23.577
72 HE3 TRP 11 HE3 TRP 11 33.023 28.049 28.698
73 HZ2 TRP 11 HZ2 TRP 11 33.437 29.818 24.063
74 HZ3 TRP 11 HZ3 TRP 11 32.526 30.431 28.230
75 HH2 TRP 11 HH2 TRP 11 32.718 31.329 25.922
76 H GLU 12 HN GLU 12 31.072 24.966 28.995
77 HA GLU 12 HA GLU 12 29.554 26.701 27.376
78 HB2 GLU 12 HB1 GLU 12 28.568 24.612 26.416
79 HB3 GLU 12 HB2 GLU 12 28.299 23.999 28.041
80 HG2 GLU 12 HG1 GLU 12 26.199 24.708 27.408
81 HG3 GLU 12 HG2 GLU 12 26.748 26.049 28.400
82 H VAL 13 HN VAL 13 29.021 28.201 29.073
83 HA VAL 13 HA VAL 13 29.753 27.303 31.754
84 HB VAL 13 HB VAL 13 28.552 30.012 31.141
85 HG11 VAL 13 1HG1 VAL 13 29.918 30.722 33.075
86 HG12 VAL 13 2HG1 VAL 13 28.798 29.441 33.547
87 HG13 VAL 13 3HG1 VAL 13 30.516 29.061 33.271
88 HG21 VAL 13 3HG2 VAL 13 31.455 29.152 30.829
89 HG22 VAL 13 1HG2 VAL 13 30.388 29.784 29.567
90 HG23 VAL 13 2HG2 VAL 13 30.897 30.831 30.886
91 H ARG 14 HN ARG 14 28.509 26.541 33.288
92 HA ARG 14 HA ARG 14 25.599 27.193 33.375
93 HB2 ARG 14 HB1 ARG 14 27.127 24.706 34.251
94 HB3 ARG 14 HB2 ARG 14 25.454 24.998 34.683
95 HG2 ARG 14 HG1 ARG 14 26.400 24.760 31.785
96 HG3 ARG 14 HG2 ARG 14 25.909 23.403 32.791
97 HD2 ARG 14 HD1 ARG 14 24.012 23.853 31.571
98 HD3 ARG 14 HD2 ARG 14 23.670 24.534 33.150
99 HE ARG 14 HE ARG 14 24.402 26.046 30.651
100 HH11 ARG 14 1HH1 ARG 14 22.778 26.195 33.828
101 HH12 ARG 14 2HH1 ARG 14 21.847 27.585 33.332
102 HH21 ARG 14 1HH2 ARG 14 23.242 27.746 30.149
103 HH22 ARG 14 2HH2 ARG 14 22.169 28.525 31.289
104 H HIS 15 HN HIS 15 25.266 28.651 34.913
105 HA HIS 15 HA HIS 15 26.706 28.550 37.508
106 HB2 HIS 15 HB1 HIS 15 25.448 30.624 37.994
107 HB3 HIS 15 HB2 HIS 15 26.527 30.735 36.615
108 HD1 HIS 15 HD1 HIS 15 23.476 29.108 35.254
109 HD2 HIS 15 HD2 HIS 15 24.796 32.983 36.386
110 HE1 HIS 15 HE1 HIS 15 22.035 30.806 33.995
111 H SER 16 HN SER 16 25.374 28.605 39.515
112 HA SER 16 HA SER 16 22.789 27.133 39.399
113 HB2 SER 16 HB1 SER 16 24.397 25.389 39.010
114 HB3 SER 16 HB2 SER 16 25.459 25.995 40.288
115 HG SER 16 HG SER 16 24.056 24.110 40.733
116 H ASN 17 HN ASN 17 21.612 27.166 41.263
117 HA ASN 17 HA ASN 17 22.410 28.916 43.466
118 HB2 ASN 17 HB1 ASN 17 20.005 27.188 42.812
119 HB3 ASN 17 HB2 ASN 17 20.227 27.805 44.446
120 HD21 ASN 17 2HD2 ASN 17 18.069 28.502 42.452
121 HD22 ASN 17 1HD2 ASN 17 18.198 30.242 42.344
122 H SER 18 HN SER 18 23.255 25.685 42.751
123 HA SER 18 HA SER 18 23.539 24.912 45.617
124 HB2 SER 18 HB1 SER 18 24.393 23.441 43.105
125 HB3 SER 18 HB2 SER 18 24.339 22.798 44.751
126 HG SER 18 HG SER 18 22.533 22.194 43.500
127 H LYS 19 HN LYS 19 25.475 26.640 43.303
128 HA LYS 19 HA LYS 19 28.031 25.584 44.474
129 HB2 LYS 19 HB1 LYS 19 27.477 26.562 41.652
130 HB3 LYS 19 HB2 LYS 19 28.975 25.843 42.233
131 HG2 LYS 19 HG1 LYS 19 26.294 24.413 41.983
132 HG3 LYS 19 HG2 LYS 19 27.599 24.325 40.824
133 HD2 LYS 19 HD1 LYS 19 27.809 23.397 43.728
134 HD3 LYS 19 HD2 LYS 19 27.401 22.358 42.374
135 HE2 LYS 19 HE1 LYS 19 30.039 23.857 42.709
136 HE3 LYS 19 HE2 LYS 19 29.753 22.142 43.013
137 HZ1 LYS 19 HZ1 LYS 19 30.565 22.116 40.876
138 HZ2 LYS 19 HZ2 LYS 19 28.961 22.155 40.548
139 HZ3 LYS 19 HZ3 LYS 19 29.905 23.532 40.457
140 H ASN 20 HN ASN 20 29.767 26.937 44.825
141 HA ASN 20 HA ASN 20 29.211 29.820 45.102
142 HB2 ASN 20 HB1 ASN 20 31.681 28.130 45.656
143 HB3 ASN 20 HB2 ASN 20 31.545 29.857 46.013
144 HD21 ASN 20 2HD2 ASN 20 29.688 30.539 47.485
145 HD22 ASN 20 1HD2 ASN 20 29.203 29.384 48.724
146 H LEU 21 HN LEU 21 30.301 27.950 42.518
147 HA LEU 21 HA LEU 21 31.194 30.302 40.991
148 HB2 LEU 21 HB1 LEU 21 32.772 27.731 41.485
149 HB3 LEU 21 HB2 LEU 21 32.991 28.595 39.987
150 HG LEU 21 HG LEU 21 33.533 29.749 42.747
151 HD11 LEU 21 1HD1 LEU 21 35.410 28.817 40.531
152 HD12 LEU 21 2HD1 LEU 21 35.900 29.564 42.066
153 HD13 LEU 21 3HD1 LEU 21 35.112 27.978 42.070
154 HD21 LEU 21 3HD2 LEU 21 34.073 30.948 39.986
155 HD22 LEU 21 1HD2 LEU 21 32.923 31.577 41.191
156 HD23 LEU 21 2HD2 LEU 21 34.654 31.601 41.529
157 HA PRO 22 HA PRO 22 28.961 27.943 37.810
158 HB2 PRO 22 HB1 PRO 22 30.308 28.499 35.495
159 HB3 PRO 22 HB2 PRO 22 29.295 29.713 36.318
160 HG2 PRO 22 HG1 PRO 22 32.303 29.353 36.534
161 HG3 PRO 22 HG2 PRO 22 31.392 30.868 36.230
162 HD2 PRO 22 HD1 PRO 22 32.264 30.184 38.730
163 HD3 PRO 22 HD2 PRO 22 30.708 31.015 38.487
164 H TYR 23 HN TYR 23 29.341 26.142 36.334
165 HA TYR 23 HA TYR 23 32.053 24.942 36.307
166 HB2 TYR 23 HB1 TYR 23 31.229 22.709 36.441
167 HB3 TYR 23 HB2 TYR 23 30.656 23.569 37.858
168 HD1 TYR 23 HD1 TYR 23 28.229 24.320 37.968
169 HD2 TYR 23 HD2 TYR 23 29.703 21.737 34.851
170 HE1 TYR 23 HE1 TYR 23 25.903 23.644 37.438
171 HE2 TYR 23 HE2 TYR 23 27.365 21.052 34.313
172 HH TYR 23 HH TYR 23 24.546 22.388 36.080
173 H TYR 24 HN TYR 24 32.440 23.706 34.296
174 HA TYR 24 HA TYR 24 30.881 24.953 32.064
175 HB2 TYR 24 HB1 TYR 24 33.616 23.686 31.973
176 HB3 TYR 24 HB2 TYR 24 32.839 24.660 30.734
177 HD1 TYR 24 HD2 TYR 24 32.291 27.117 31.294
178 HD2 TYR 24 HD1 TYR 24 34.914 24.709 33.712
179 HE1 TYR 24 HE2 TYR 24 33.188 29.183 32.383
180 HE2 TYR 24 HE1 TYR 24 35.784 26.754 34.819
181 HH TYR 24 HH TYR 24 35.571 29.023 35.046
182 H PHE 25 HN PHE 25 29.394 23.687 31.149
183 HA PHE 25 HA PHE 25 29.336 20.766 31.429
184 HB2 PHE 25 HB1 PHE 25 27.307 22.068 31.555
185 HB3 PHE 25 HB2 PHE 25 27.632 22.855 30.022
186 HD1 PHE 25 HD2 PHE 25 26.823 19.546 31.581
187 HD2 PHE 25 HD1 PHE 25 26.825 21.921 27.977
188 HE1 PHE 25 HE2 PHE 25 25.368 17.877 30.471
189 HE2 PHE 25 HE1 PHE 25 25.319 20.274 26.896
190 HZ PHE 25 HZ PHE 25 24.587 18.251 28.142
191 H ASN 26 HN ASN 26 30.041 19.267 29.917
192 HA ASN 26 HA ASN 26 31.174 20.281 27.374
193 HB2 ASN 26 HB1 ASN 26 32.462 18.655 28.686
194 HB3 ASN 26 HB2 ASN 26 31.171 17.471 28.513
195 HD21 ASN 26 2HD2 ASN 26 33.828 16.918 27.583
196 HD22 ASN 26 1HD2 ASN 26 33.769 16.924 25.833
197 HA PRO 27 HA PRO 27 27.042 19.201 25.749
198 HB2 PRO 27 HB1 PRO 27 27.233 20.336 23.266
199 HB3 PRO 27 HB2 PRO 27 26.941 21.276 24.755
200 HG2 PRO 27 HG1 PRO 27 29.585 20.805 23.344
201 HG3 PRO 27 HG2 PRO 27 28.905 22.358 23.929
202 HD2 PRO 27 HD1 PRO 27 30.725 20.933 25.369
203 HD3 PRO 27 HD2 PRO 27 29.395 21.828 26.165
204 H ALA 28 HN ALA 28 30.166 18.609 24.078
205 HA ALA 28 HA ALA 28 29.001 16.842 22.115
206 HB1 ALA 28 HB1 ALA 28 31.902 17.471 22.846
207 HB2 ALA 28 HB2 ALA 28 31.353 16.656 21.367
208 HB3 ALA 28 HB3 ALA 28 30.909 18.347 21.656
209 H THR 29 HN THR 29 30.254 16.333 25.307
210 HA THR 29 HA THR 29 30.093 13.367 25.071
211 HB THR 29 HB THR 29 32.468 14.864 26.246
212 HG1 THR 29 HG1 THR 29 33.524 14.411 24.403
213 HG21 THR 29 1HG2 THR 29 32.044 11.904 25.668
214 HG22 THR 29 2HG2 THR 29 33.564 12.646 26.210
215 HG23 THR 29 3HG2 THR 29 32.158 12.660 27.274
216 H ARG 30 HN ARG 30 29.476 12.387 27.029
217 HA ARG 30 HA ARG 30 27.918 14.044 28.698
218 HB2 ARG 30 HB1 ARG 30 27.121 12.092 29.777
219 HB3 ARG 30 HB2 ARG 30 27.138 11.908 28.028
220 HG2 ARG 30 HG1 ARG 30 28.738 10.308 28.035
221 HG3 ARG 30 HG2 ARG 30 29.622 11.026 29.373
222 HD2 ARG 30 HD1 ARG 30 27.013 9.482 29.709
223 HD3 ARG 30 HD2 ARG 30 28.623 8.773 29.903
224 HE ARG 30 HE ARG 30 28.500 11.085 31.533
225 HH11 ARG 30 1HH1 ARG 30 27.174 7.775 31.526
226 HH12 ARG 30 2HH1 ARG 30 26.764 7.858 33.212
227 HH21 ARG 30 1HH2 ARG 30 28.058 11.048 33.727
228 HH22 ARG 30 2HH2 ARG 30 27.333 9.627 34.453
229 H GLU 31 HN GLU 31 30.290 15.151 29.244
230 HA GLU 31 HA GLU 31 30.860 14.512 32.103
231 HB2 GLU 31 HB1 GLU 31 32.560 13.648 30.348
232 HB3 GLU 31 HB2 GLU 31 32.966 15.331 30.065
233 HG2 GLU 31 HG1 GLU 31 34.570 14.215 31.546
234 HG3 GLU 31 HG2 GLU 31 33.799 15.519 32.402
235 H SER 32 HN SER 32 32.454 16.486 32.867
236 HA SER 32 HA SER 32 31.707 19.099 31.779
237 HB2 SER 32 HB1 SER 32 31.080 19.985 33.992
238 HB3 SER 32 HB2 SER 32 29.945 18.748 33.433
239 HG SER 32 HG SER 32 30.601 18.577 35.674
240 H ARG 33 HN ARG 33 33.041 20.829 32.805
241 HA ARG 33 HA ARG 33 35.696 19.847 33.735
242 HB2 ARG 33 HB1 ARG 33 35.398 20.874 31.307
243 HB3 ARG 33 HB2 ARG 33 35.309 22.400 32.165
244 HG2 ARG 33 HG1 ARG 33 37.560 22.125 31.475
245 HG3 ARG 33 HG2 ARG 33 37.522 21.906 33.227
246 HD2 ARG 33 HD1 ARG 33 39.012 20.308 32.112
247 HD3 ARG 33 HD2 ARG 33 37.724 19.487 32.983
248 HE ARG 33 HE ARG 33 37.881 19.885 30.004
249 HH11 ARG 33 1HH1 ARG 33 36.608 17.798 32.653
250 HH12 ARG 33 2HH1 ARG 33 36.504 16.473 31.532
251 HH21 ARG 33 1HH2 ARG 33 37.263 18.248 28.687
252 HH22 ARG 33 2HH2 ARG 33 36.460 16.850 29.353
253 H TRP 34 HN TRP 34 36.429 20.701 35.531
254 HA TRP 34 HA TRP 34 34.375 21.955 37.152
255 HB2 TRP 34 HB1 TRP 34 36.967 20.723 38.116
256 HB3 TRP 34 HB2 TRP 34 35.404 20.768 38.916
257 HD1 TRP 34 HD1 TRP 34 33.549 18.985 38.019
258 HE1 TRP 34 HE1 TRP 34 33.689 16.838 36.603
259 HE3 TRP 34 HE3 TRP 34 38.300 19.489 36.205
260 HZ2 TRP 34 HZ2 TRP 34 35.636 15.482 34.977
261 HZ3 TRP 34 HZ3 TRP 34 39.264 17.787 34.686
262 HH2 TRP 34 HH2 TRP 34 37.943 15.762 34.079
263 H GLU 35 HN GLU 35 37.870 22.509 36.706
264 HA GLU 35 HA GLU 35 37.509 25.432 37.178
265 HB2 GLU 35 HB1 GLU 35 39.935 23.757 37.970
266 HB3 GLU 35 HB2 GLU 35 39.786 25.494 38.145
267 HG2 GLU 35 HG1 GLU 35 38.085 25.276 39.854
268 HG3 GLU 35 HG2 GLU 35 38.014 23.520 39.633
269 HA PRO 36 HA PRO 36 39.674 25.762 33.252
270 HB2 PRO 36 HB1 PRO 36 41.876 27.347 34.568
271 HB3 PRO 36 HB2 PRO 36 41.015 27.661 33.028
272 HG2 PRO 36 HG1 PRO 36 40.294 29.001 35.252
273 HG3 PRO 36 HG2 PRO 36 39.020 28.314 34.194
274 HD2 PRO 36 HD1 PRO 36 40.159 27.175 36.759
275 HD3 PRO 36 HD2 PRO 36 38.444 27.328 36.262
276 HA PRO 37 HA PRO 37 42.465 22.236 33.957
277 HB2 PRO 37 HB1 PRO 37 42.386 21.124 31.459
278 HB3 PRO 37 HB2 PRO 37 40.976 21.133 32.550
279 HG2 PRO 37 HG1 PRO 37 41.560 23.028 30.284
280 HG3 PRO 37 HG2 PRO 37 40.028 22.177 30.691
281 HD2 PRO 37 HD1 PRO 37 40.454 24.747 31.431
282 HD3 PRO 37 HD2 PRO 37 39.513 23.580 32.417
283 H ALA 38 HN ALA 38 44.516 21.273 33.047
284 HA ALA 38 HA ALA 38 46.469 23.307 32.396
285 HB1 ALA 38 HB1 ALA 38 46.667 20.262 32.424
286 HB2 ALA 38 HB2 ALA 38 48.025 21.410 32.446
287 HB3 ALA 38 HB3 ALA 38 46.913 21.333 33.826
288 H ASP 39 HN ASP 39 44.308 21.808 30.392
289 HA ASP 39 HA ASP 39 45.928 21.747 27.914
290 HB2 ASP 39 HB1 ASP 39 44.418 19.908 28.456
291 HB3 ASP 39 HB2 ASP 39 43.078 21.030 28.684
292 H THR 40 HN THR 40 44.294 24.140 29.619
293 HA THR 40 HA THR 40 42.878 25.394 27.379
294 HB THR 40 HB THR 40 42.082 25.106 29.772
295 HG1 THR 40 HG1 THR 40 41.545 26.819 27.971
296 HG21 THR 40 1HG2 THR 40 43.449 27.766 30.287
297 HG22 THR 40 2HG2 THR 40 42.692 26.656 31.445
298 HG23 THR 40 3HG2 THR 40 44.266 26.268 30.714
299 H ASP 41 HN ASP 41 43.028 28.029 27.491
300 HA ASP 41 HA ASP 41 45.785 28.428 26.407
301 HB2 ASP 41 HB1 ASP 41 43.715 28.367 24.876
302 HB3 ASP 41 HB2 ASP 41 43.246 29.861 25.649
303 H MET 42 HN MET 42 45.163 28.872 29.112
304 HA MET 42 HA MET 42 44.525 30.814 30.486
305 HB2 MET 42 HB1 MET 42 47.400 29.909 30.563
306 HB3 MET 42 HB2 MET 42 46.601 30.856 31.832
307 HG2 MET 42 HG1 MET 42 44.770 29.095 31.904
308 HG3 MET 42 HG2 MET 42 45.782 28.109 30.827
309 HE1 MET 42 HE1 MET 42 46.252 26.083 34.039
310 HE2 MET 42 HE2 MET 42 44.794 26.771 33.293
311 HE3 MET 42 HE3 MET 42 46.052 26.015 32.284
312 H GLU 43 HN GLU 43 47.244 31.840 28.313
313 HA GLU 43 HA GLU 43 47.354 34.529 29.240
314 HB2 GLU 43 HB1 GLU 43 48.805 33.321 27.499
315 HB3 GLU 43 HB2 GLU 43 47.534 33.667 26.326
316 HG2 GLU 43 HG1 GLU 43 47.782 36.117 26.888
317 HG3 GLU 43 HG2 GLU 43 49.123 35.701 27.963
318 H THR 44 HN THR 44 45.172 33.056 26.819
319 HA THR 44 HA THR 44 43.453 35.391 26.413
320 HB THR 44 HB THR 44 42.999 32.426 25.759
321 HG1 THR 44 HG1 THR 44 44.312 32.605 24.246
322 HG21 THR 44 1HG2 THR 44 41.848 34.996 24.597
323 HG22 THR 44 2HG2 THR 44 41.683 33.399 23.829
324 HG23 THR 44 3HG2 THR 44 40.951 33.704 25.410
325 H LEU 45 HN LEU 45 43.634 33.030 28.957
326 HA LEU 45 HA LEU 45 40.807 33.668 29.665
327 HB2 LEU 45 HB1 LEU 45 42.773 31.835 31.073
328 HB3 LEU 45 HB2 LEU 45 41.262 32.326 31.743
329 HG LEU 45 HG LEU 45 40.905 30.238 30.989
330 HD11 LEU 45 1HD1 LEU 45 39.440 32.132 29.240
331 HD12 LEU 45 2HD1 LEU 45 39.347 30.374 28.960
332 HD13 LEU 45 3HD1 LEU 45 38.913 30.990 30.508
333 HD21 LEU 45 3HD2 LEU 45 42.365 30.914 28.481
334 HD22 LEU 45 1HD2 LEU 45 42.770 29.804 29.786
335 HD23 LEU 45 2HD2 LEU 45 41.430 29.411 28.746
336 H LYS 46 HN LYS 46 44.073 34.818 30.287
337 HA LYS 46 HA LYS 46 43.366 35.611 32.892
338 HB2 LYS 46 HB1 LYS 46 45.685 35.961 31.089
339 HB3 LYS 46 HB2 LYS 46 45.411 37.403 32.045
340 HG2 LYS 46 HG1 LYS 46 46.949 36.188 33.232
341 HG3 LYS 46 HG2 LYS 46 45.466 35.992 34.131
342 HD2 LYS 46 HD1 LYS 46 46.667 33.946 32.209
343 HD3 LYS 46 HD2 LYS 46 46.934 33.942 33.936
344 HE2 LYS 46 HE1 LYS 46 44.199 33.538 32.625
345 HE3 LYS 46 HE2 LYS 46 45.257 32.265 33.200
346 HZ1 LYS 46 HZ1 LYS 46 44.063 34.353 34.948
347 HZ2 LYS 46 HZ2 LYS 46 43.689 32.734 34.894
348 HZ3 LYS 46 HZ3 LYS 46 45.122 33.209 35.449
349 H MET 47 HN MET 47 42.588 36.986 29.906
350 HA MET 47 HA MET 47 41.521 39.557 30.845
351 HB2 MET 47 HB1 MET 47 40.803 39.793 28.519
352 HB3 MET 47 HB2 MET 47 42.497 39.284 28.599
353 HG2 MET 47 HG1 MET 47 41.880 36.984 28.085
354 HG3 MET 47 HG2 MET 47 40.173 37.403 28.052
355 HE1 MET 47 HE1 MET 47 43.351 38.577 24.910
356 HE2 MET 47 HE2 MET 47 43.267 39.439 26.457
357 HE3 MET 47 HE3 MET 47 43.652 37.705 26.424
358 H TYR 48 HN TYR 48 40.462 36.392 31.153
359 HA TYR 48 HA TYR 48 37.534 37.013 30.994
360 HB2 TYR 48 HB1 TYR 48 38.297 35.355 29.358
361 HB3 TYR 48 HB2 TYR 48 39.151 34.437 30.571
362 HD1 TYR 48 HD1 TYR 48 35.670 35.719 29.969
363 HD2 TYR 48 HD2 TYR 48 38.186 32.596 31.503
364 HE1 TYR 48 HE1 TYR 48 33.657 34.363 30.464
365 HE2 TYR 48 HE2 TYR 48 36.178 31.203 31.979
366 HH TYR 48 HH TYR 48 32.843 32.423 31.361
367 H MET 49 HN MET 49 39.797 34.852 32.673
368 HA MET 49 HA MET 49 38.229 34.377 35.044
369 HB2 MET 49 HB1 MET 49 41.128 33.865 34.222
370 HB3 MET 49 HB2 MET 49 40.451 33.348 35.770
371 HG2 MET 49 HG1 MET 49 39.617 32.478 32.989
372 HG3 MET 49 HG2 MET 49 40.470 31.528 34.172
373 HE1 MET 49 HE1 MET 49 37.818 30.753 36.854
374 HE2 MET 49 HE2 MET 49 39.534 30.774 36.406
375 HE3 MET 49 HE3 MET 49 38.716 32.279 36.870
376 H ALA 50 HN ALA 50 39.423 37.241 34.173
377 HA ALA 50 HA ALA 50 39.142 38.387 36.784
378 HB1 ALA 50 HB1 ALA 50 41.855 38.512 35.384
379 HB2 ALA 50 HB2 ALA 50 41.377 39.594 36.703
380 HB3 ALA 50 HB3 ALA 50 41.519 37.853 36.995
381 H THR 51 HN THR 51 38.756 40.677 36.610
382 HA THR 51 HA THR 51 37.638 41.391 33.951
383 HB THR 51 HB THR 51 36.082 42.778 35.339
384 HG1 THR 51 HG1 THR 51 36.621 43.105 37.291
385 HG21 THR 51 1HG2 THR 51 36.196 39.850 36.188
386 HG22 THR 51 2HG2 THR 51 34.785 40.926 36.229
387 HG23 THR 51 3HG2 THR 51 35.489 40.451 34.674
388 H TYR 52 HN TYR 52 37.312 43.624 33.416
389 HA TYR 52 HA TYR 52 39.670 45.331 33.735
390 HB2 TYR 52 HB1 TYR 52 38.281 44.985 31.627
391 HB3 TYR 52 HB2 TYR 52 37.039 45.977 32.375
392 HD1 TYR 52 HD1 TYR 52 37.479 48.432 32.767
393 HD2 TYR 52 HD2 TYR 52 40.355 45.893 30.797
394 HE1 TYR 52 HE1 TYR 52 38.687 50.434 31.947
395 HE2 TYR 52 HE2 TYR 52 41.546 47.908 29.948
396 HH TYR 52 HH TYR 52 40.427 51.248 30.609
397 H HIS 53 HN HIS 53 39.746 47.402 34.708
398 HA HIS 53 HA HIS 53 37.973 47.582 37.079
399 HB2 HIS 53 HB1 HIS 53 40.719 48.775 36.560
400 HB3 HIS 53 HB2 HIS 53 39.824 48.838 38.077
401 HD1 HIS 53 HD1 HIS 53 39.486 46.410 39.398
402 HD2 HIS 53 HD2 HIS 53 42.044 46.556 36.014
403 HE1 HIS 53 HE1 HIS 53 40.794 44.207 39.343
Start of MODEL 17
1 H SER 1 H SER 1 27.645 40.710 23.885
2 HA SER 1 HA SER 1 27.166 40.316 26.181
3 HB2 SER 1 HB1 SER 1 24.532 39.245 25.129
4 HB3 SER 1 HB2 SER 1 25.152 38.965 26.768
5 HG SER 1 HG SER 1 23.833 40.749 26.769
6 H MET 2 HN MET 2 29.095 39.280 25.333
7 HA MET 2 HA MET 2 28.873 36.317 25.299
8 HB2 MET 2 HB1 MET 2 30.458 36.187 23.435
9 HB3 MET 2 HB2 MET 2 28.955 36.957 22.952
10 HG2 MET 2 HG1 MET 2 31.471 38.520 23.664
11 HG3 MET 2 HG2 MET 2 31.119 37.927 22.051
12 HE1 MET 2 HE1 MET 2 31.863 40.834 22.619
13 HE2 MET 2 HE2 MET 2 31.462 40.191 21.013
14 HE3 MET 2 HE3 MET 2 30.699 41.693 21.572
15 H VAL 3 HN VAL 3 30.939 35.242 25.793
16 HA VAL 3 HA VAL 3 32.794 37.003 27.381
17 HB VAL 3 HB VAL 3 33.457 35.062 28.703
18 HG11 VAL 3 1HG1 VAL 3 30.495 35.746 28.885
19 HG12 VAL 3 2HG1 VAL 3 31.480 35.016 30.171
20 HG13 VAL 3 3HG1 VAL 3 31.848 36.647 29.609
21 HG21 VAL 3 3HG2 VAL 3 31.046 33.597 27.574
22 HG22 VAL 3 1HG2 VAL 3 32.743 33.214 27.194
23 HG23 VAL 3 2HG2 VAL 3 32.139 33.033 28.843
24 H ASN 4 HN ASN 4 34.924 36.852 27.163
25 HA ASN 4 HA ASN 4 36.124 35.364 24.897
26 HB2 ASN 4 HB1 ASN 4 37.323 37.149 27.072
27 HB3 ASN 4 HB2 ASN 4 38.212 36.441 25.727
28 HD21 ASN 4 2HD2 ASN 4 37.804 37.251 23.544
29 HD22 ASN 4 1HD2 ASN 4 37.090 38.837 23.335
30 H THR 5 HN THR 5 37.226 33.404 25.184
31 HA THR 5 HA THR 5 38.315 32.676 27.870
32 HB THR 5 HB THR 5 37.558 30.423 27.821
33 HG1 THR 5 HG1 THR 5 35.567 30.246 26.281
34 HG21 THR 5 1HG2 THR 5 35.152 32.258 27.656
35 HG22 THR 5 2HG2 THR 5 35.290 30.712 28.527
36 HG23 THR 5 3HG2 THR 5 36.289 32.087 29.016
37 H GLY 6 HN GLY 6 40.051 31.494 27.762
38 HA2 GLY 6 HA1 GLY 6 41.087 30.375 25.247
39 HA3 GLY 6 HA2 GLY 6 41.930 30.443 26.743
40 H LEU 7 HN LEU 7 38.583 29.210 26.695
41 HA LEU 7 HA LEU 7 39.562 26.912 28.141
42 HB2 LEU 7 HB1 LEU 7 36.846 27.955 27.432
43 HB3 LEU 7 HB2 LEU 7 36.986 26.277 27.917
44 HG LEU 7 HG LEU 7 38.045 28.573 29.624
45 HD11 LEU 7 1HD1 LEU 7 35.446 26.974 29.878
46 HD12 LEU 7 2HD1 LEU 7 36.021 28.224 30.999
47 HD13 LEU 7 3HD1 LEU 7 35.560 28.660 29.348
48 HD21 LEU 7 3HD2 LEU 7 37.548 25.632 30.295
49 HD22 LEU 7 1HD2 LEU 7 39.138 26.412 30.167
50 HD23 LEU 7 2HD2 LEU 7 38.028 26.892 31.447
51 HA PRO 8 HA PRO 8 40.077 24.200 24.719
52 HB2 PRO 8 HB1 PRO 8 39.965 21.712 25.747
53 HB3 PRO 8 HB2 PRO 8 41.166 22.887 26.344
54 HG2 PRO 8 HG1 PRO 8 38.432 22.277 27.538
55 HG3 PRO 8 HG2 PRO 8 40.028 22.191 28.338
56 HD2 PRO 8 HD1 PRO 8 38.454 24.411 28.488
57 HD3 PRO 8 HD2 PRO 8 40.233 24.534 28.394
58 H ALA 9 HN ALA 9 38.977 22.652 23.252
59 HA ALA 9 HA ALA 9 36.598 23.844 22.558
60 HB1 ALA 9 HB1 ALA 9 37.710 21.178 21.587
61 HB2 ALA 9 HB2 ALA 9 36.599 22.245 20.694
62 HB3 ALA 9 HB3 ALA 9 38.246 22.788 21.047
63 H GLY 10 HN GLY 10 36.649 21.323 24.828
64 HA2 GLY 10 HA1 GLY 10 33.792 20.539 24.385
65 HA3 GLY 10 HA2 GLY 10 34.950 19.773 25.500
66 H TRP 11 HN TRP 11 33.712 23.158 24.967
67 HA TRP 11 HA TRP 11 33.037 23.230 27.858
68 HB2 TRP 11 HB1 TRP 11 34.155 25.175 28.256
69 HB3 TRP 11 HB2 TRP 11 35.282 24.311 27.253
70 HD1 TRP 11 HD1 TRP 11 35.510 25.240 24.672
71 HE1 TRP 11 HE1 TRP 11 35.431 27.620 23.793
72 HE3 TRP 11 HE3 TRP 11 32.911 27.459 28.508
73 HZ2 TRP 11 HZ2 TRP 11 34.024 30.070 24.413
74 HZ3 TRP 11 HZ3 TRP 11 32.242 29.837 28.329
75 HH2 TRP 11 HH2 TRP 11 32.763 31.143 26.274
76 H GLU 12 HN GLU 12 31.862 24.965 28.561
77 HA GLU 12 HA GLU 12 30.150 26.767 27.349
78 HB2 GLU 12 HB1 GLU 12 29.164 24.006 27.196
79 HB3 GLU 12 HB2 GLU 12 28.164 24.918 28.301
80 HG2 GLU 12 HG1 GLU 12 28.858 25.760 25.449
81 HG3 GLU 12 HG2 GLU 12 27.374 24.945 25.941
82 H VAL 13 HN VAL 13 28.403 27.292 29.175
83 HA VAL 13 HA VAL 13 29.691 26.938 31.879
84 HB VAL 13 HB VAL 13 28.284 29.462 30.960
85 HG11 VAL 13 1HG1 VAL 13 29.430 30.485 32.925
86 HG12 VAL 13 2HG1 VAL 13 28.317 29.204 33.399
87 HG13 VAL 13 3HG1 VAL 13 30.071 28.887 33.356
88 HG21 VAL 13 3HG2 VAL 13 30.293 29.302 29.594
89 HG22 VAL 13 1HG2 VAL 13 30.535 30.532 30.832
90 HG23 VAL 13 2HG2 VAL 13 31.284 28.933 31.021
91 H ARG 14 HN ARG 14 28.345 26.620 33.598
92 HA ARG 14 HA ARG 14 25.395 26.742 33.267
93 HB2 ARG 14 HB1 ARG 14 27.042 24.428 34.352
94 HB3 ARG 14 HB2 ARG 14 25.293 24.526 34.515
95 HG2 ARG 14 HG1 ARG 14 26.721 24.376 31.814
96 HG3 ARG 14 HG2 ARG 14 26.213 22.983 32.744
97 HD2 ARG 14 HD1 ARG 14 24.560 23.358 31.090
98 HD3 ARG 14 HD2 ARG 14 23.852 23.749 32.661
99 HE ARG 14 HE ARG 14 24.929 26.114 31.406
100 HH11 ARG 14 1HH1 ARG 14 22.217 23.855 30.846
101 HH12 ARG 14 2HH1 ARG 14 21.270 25.146 30.124
102 HH21 ARG 14 1HH2 ARG 14 23.518 27.676 30.544
103 HH22 ARG 14 2HH2 ARG 14 21.997 27.115 29.871
104 H HIS 15 HN HIS 15 24.254 27.051 35.217
105 HA HIS 15 HA HIS 15 25.834 27.893 37.594
106 HB2 HIS 15 HB1 HIS 15 24.597 30.077 37.533
107 HB3 HIS 15 HB2 HIS 15 25.790 29.842 36.268
108 HD1 HIS 15 HD1 HIS 15 21.941 30.133 36.703
109 HD2 HIS 15 HD2 HIS 15 24.990 29.830 33.758
110 HE1 HIS 15 HE1 HIS 15 20.891 30.712 34.442
111 H SER 16 HN SER 16 24.557 28.524 39.442
112 HA SER 16 HA SER 16 21.803 27.790 39.846
113 HB2 SER 16 HB1 SER 16 22.622 25.485 39.608
114 HB3 SER 16 HB2 SER 16 23.919 25.803 40.768
115 HG SER 16 HG SER 16 21.102 25.709 41.238
116 H ASN 17 HN ASN 17 21.075 28.338 41.938
117 HA ASN 17 HA ASN 17 22.643 30.004 43.674
118 HB2 ASN 17 HB1 ASN 17 20.127 29.959 43.379
119 HB3 ASN 17 HB2 ASN 17 20.093 28.445 44.275
120 HD21 ASN 17 2HD2 ASN 17 20.662 28.532 46.648
121 HD22 ASN 17 1HD2 ASN 17 20.588 30.087 47.457
122 H SER 18 HN SER 18 22.584 26.565 43.303
123 HA SER 18 HA SER 18 23.048 25.657 45.961
124 HB2 SER 18 HB1 SER 18 22.287 24.371 43.927
125 HB3 SER 18 HB2 SER 18 23.951 24.416 43.324
126 HG SER 18 HG SER 18 24.581 23.075 44.940
127 H LYS 19 HN LYS 19 25.168 27.429 43.925
128 HA LYS 19 HA LYS 19 27.389 27.058 45.754
129 HB2 LYS 19 HB1 LYS 19 29.018 26.493 43.934
130 HB3 LYS 19 HB2 LYS 19 27.892 25.211 44.347
131 HG2 LYS 19 HG1 LYS 19 26.533 25.649 42.366
132 HG3 LYS 19 HG2 LYS 19 27.529 27.041 41.932
133 HD2 LYS 19 HD1 LYS 19 28.611 24.207 42.229
134 HD3 LYS 19 HD2 LYS 19 27.988 24.836 40.699
135 HE2 LYS 19 HE1 LYS 19 29.734 26.338 40.391
136 HE3 LYS 19 HE2 LYS 19 30.100 26.449 42.112
137 HZ1 LYS 19 HZ1 LYS 19 31.133 24.373 42.096
138 HZ2 LYS 19 HZ2 LYS 19 30.611 23.955 40.595
139 HZ3 LYS 19 HZ3 LYS 19 31.739 25.147 40.801
140 H ASN 20 HN ASN 20 29.219 28.516 45.315
141 HA ASN 20 HA ASN 20 28.121 31.153 45.115
142 HB2 ASN 20 HB1 ASN 20 30.976 30.150 45.425
143 HB3 ASN 20 HB2 ASN 20 30.527 31.844 45.480
144 HD21 ASN 20 2HD2 ASN 20 31.816 30.711 47.657
145 HD22 ASN 20 1HD2 ASN 20 30.687 30.607 48.997
146 H LEU 21 HN LEU 21 30.141 29.364 42.797
147 HA LEU 21 HA LEU 21 29.915 31.580 40.785
148 HB2 LEU 21 HB1 LEU 21 32.212 29.960 41.812
149 HB3 LEU 21 HB2 LEU 21 32.098 29.958 40.077
150 HG LEU 21 HG LEU 21 32.142 32.450 40.044
151 HD11 LEU 21 1HD1 LEU 21 32.905 33.619 42.149
152 HD12 LEU 21 2HD1 LEU 21 31.235 33.056 42.195
153 HD13 LEU 21 3HD1 LEU 21 32.497 32.135 43.042
154 HD21 LEU 21 3HD2 LEU 21 34.439 31.130 41.556
155 HD22 LEU 21 1HD2 LEU 21 34.206 31.112 39.794
156 HD23 LEU 21 2HD2 LEU 21 34.529 32.643 40.628
157 HA PRO 22 HA PRO 22 28.379 28.332 37.991
158 HB2 PRO 22 HB1 PRO 22 29.448 28.890 35.552
159 HB3 PRO 22 HB2 PRO 22 28.262 29.974 36.330
160 HG2 PRO 22 HG1 PRO 22 31.287 30.214 36.342
161 HG3 PRO 22 HG2 PRO 22 30.081 31.480 35.946
162 HD2 PRO 22 HD1 PRO 22 31.212 31.253 38.412
163 HD3 PRO 22 HD2 PRO 22 29.517 31.780 38.214
164 H TYR 23 HN TYR 23 29.129 26.590 36.479
165 HA TYR 23 HA TYR 23 31.977 25.760 36.716
166 HB2 TYR 23 HB1 TYR 23 31.407 23.462 36.991
167 HB3 TYR 23 HB2 TYR 23 30.627 24.363 38.275
168 HD1 TYR 23 HD1 TYR 23 28.147 24.699 38.256
169 HD2 TYR 23 HD2 TYR 23 30.121 22.286 35.283
170 HE1 TYR 23 HE1 TYR 23 25.974 23.644 37.677
171 HE2 TYR 23 HE2 TYR 23 27.947 21.264 34.659
172 HH TYR 23 HH TYR 23 24.931 22.051 36.451
173 H TYR 24 HN TYR 24 32.616 24.245 34.859
174 HA TYR 24 HA TYR 24 31.165 25.187 32.429
175 HB2 TYR 24 HB1 TYR 24 33.983 24.173 32.617
176 HB3 TYR 24 HB2 TYR 24 33.251 25.010 31.263
177 HD1 TYR 24 HD1 TYR 24 31.933 27.341 32.642
178 HD2 TYR 24 HD2 TYR 24 35.781 25.517 33.288
179 HE1 TYR 24 HE1 TYR 24 32.770 29.469 33.619
180 HE2 TYR 24 HE2 TYR 24 36.639 27.656 34.222
181 HH TYR 24 HH TYR 24 34.592 30.584 34.563
182 H PHE 25 HN PHE 25 30.804 23.789 30.647
183 HA PHE 25 HA PHE 25 30.589 20.868 31.345
184 HB2 PHE 25 HB1 PHE 25 28.523 22.131 31.884
185 HB3 PHE 25 HB2 PHE 25 28.460 22.743 30.244
186 HD1 PHE 25 HD2 PHE 25 28.503 19.522 32.187
187 HD2 PHE 25 HD1 PHE 25 27.258 21.523 28.567
188 HE1 PHE 25 HE2 PHE 25 27.110 17.565 31.580
189 HE2 PHE 25 HE1 PHE 25 25.816 19.585 28.000
190 HZ PHE 25 HZ PHE 25 25.745 17.602 29.500
191 H ASN 26 HN ASN 26 30.766 19.382 29.664
192 HA ASN 26 HA ASN 26 31.337 20.459 26.964
193 HB2 ASN 26 HB1 ASN 26 32.928 18.876 27.964
194 HB3 ASN 26 HB2 ASN 26 31.680 17.645 28.025
195 HD21 ASN 26 2HD2 ASN 26 33.935 16.940 26.565
196 HD22 ASN 26 1HD2 ASN 26 33.624 17.153 24.849
197 HA PRO 27 HA PRO 27 27.046 19.162 25.971
198 HB2 PRO 27 HB1 PRO 27 26.863 20.255 23.466
199 HB3 PRO 27 HB2 PRO 27 26.746 21.204 24.970
200 HG2 PRO 27 HG1 PRO 27 29.192 20.784 23.227
201 HG3 PRO 27 HG2 PRO 27 28.537 22.337 23.845
202 HD2 PRO 27 HD1 PRO 27 30.568 21.053 25.101
203 HD3 PRO 27 HD2 PRO 27 29.297 21.882 26.039
204 H ALA 28 HN ALA 28 30.019 18.357 24.219
205 HA ALA 28 HA ALA 28 28.603 16.631 22.323
206 HB1 ALA 28 HB1 ALA 28 30.414 18.190 21.641
207 HB2 ALA 28 HB2 ALA 28 31.568 17.278 22.643
208 HB3 ALA 28 HB3 ALA 28 30.792 16.510 21.239
209 H THR 29 HN THR 29 30.094 16.208 25.373
210 HA THR 29 HA THR 29 29.812 13.277 25.396
211 HB THR 29 HB THR 29 32.476 14.640 26.045
212 HG1 THR 29 HG1 THR 29 33.168 13.876 24.204
213 HG21 THR 29 1HG2 THR 29 31.593 11.715 26.178
214 HG22 THR 29 2HG2 THR 29 33.279 12.259 26.272
215 HG23 THR 29 3HG2 THR 29 32.142 12.732 27.532
216 H ARG 30 HN ARG 30 29.342 12.612 27.578
217 HA ARG 30 HA ARG 30 28.619 14.734 29.412
218 HB2 ARG 30 HB1 ARG 30 28.792 11.721 29.784
219 HB3 ARG 30 HB2 ARG 30 28.189 12.827 31.016
220 HG2 ARG 30 HG1 ARG 30 26.992 12.525 28.233
221 HG3 ARG 30 HG2 ARG 30 26.403 11.701 29.661
222 HD2 ARG 30 HD1 ARG 30 26.529 14.746 29.470
223 HD3 ARG 30 HD2 ARG 30 25.139 13.816 28.959
224 HE ARG 30 HE ARG 30 25.871 14.455 31.682
225 HH11 ARG 30 1HH1 ARG 30 24.162 11.900 29.834
226 HH12 ARG 30 2HH1 ARG 30 23.206 11.514 31.256
227 HH21 ARG 30 1HH2 ARG 30 24.619 13.854 33.315
228 HH22 ARG 30 2HH2 ARG 30 23.440 12.552 33.122
229 H GLU 31 HN GLU 31 30.277 15.982 29.986
230 HA GLU 31 HA GLU 31 31.923 15.083 32.182
231 HB2 GLU 31 HB1 GLU 31 33.146 14.619 29.800
232 HB3 GLU 31 HB2 GLU 31 33.513 16.327 29.945
233 HG2 GLU 31 HG1 GLU 31 35.359 15.200 30.868
234 HG3 GLU 31 HG2 GLU 31 34.474 15.777 32.278
235 H SER 32 HN SER 32 32.718 16.877 33.440
236 HA SER 32 HA SER 32 32.044 19.614 32.436
237 HB2 SER 32 HB1 SER 32 31.762 20.290 34.801
238 HB3 SER 32 HB2 SER 32 30.570 19.137 34.227
239 HG SER 32 HG SER 32 31.405 18.769 36.353
240 H ARG 33 HN ARG 33 33.348 21.300 33.882
241 HA ARG 33 HA ARG 33 36.126 20.522 34.324
242 HB2 ARG 33 HB1 ARG 33 35.697 21.182 31.802
243 HB3 ARG 33 HB2 ARG 33 35.608 22.815 32.421
244 HG2 ARG 33 HG1 ARG 33 37.836 22.580 31.728
245 HG3 ARG 33 HG2 ARG 33 37.885 22.431 33.499
246 HD2 ARG 33 HD1 ARG 33 39.358 20.810 32.430
247 HD3 ARG 33 HD2 ARG 33 38.063 19.978 33.310
248 HE ARG 33 HE ARG 33 37.268 20.344 30.582
249 HH11 ARG 33 1HH1 ARG 33 39.685 18.298 32.292
250 HH12 ARG 33 2HH1 ARG 33 39.354 16.996 31.161
251 HH21 ARG 33 1HH2 ARG 33 37.031 18.671 29.287
252 HH22 ARG 33 2HH2 ARG 33 37.921 17.169 29.565
253 H TRP 34 HN TRP 34 37.060 21.728 35.807
254 HA TRP 34 HA TRP 34 35.249 23.484 37.399
255 HB2 TRP 34 HB1 TRP 34 37.263 21.638 38.639
256 HB3 TRP 34 HB2 TRP 34 35.644 22.035 39.160
257 HD1 TRP 34 HD1 TRP 34 33.685 20.445 38.259
258 HE1 TRP 34 HE1 TRP 34 33.603 18.293 36.865
259 HE3 TRP 34 HE3 TRP 34 38.564 20.290 36.719
260 HZ2 TRP 34 HZ2 TRP 34 35.447 16.666 35.337
261 HZ3 TRP 34 HZ3 TRP 34 39.360 18.456 35.269
262 HH2 TRP 34 HH2 TRP 34 37.816 16.632 34.574
263 H GLU 35 HN GLU 35 38.586 22.968 36.489
264 HA GLU 35 HA GLU 35 39.515 25.584 37.417
265 HB2 GLU 35 HB1 GLU 35 40.662 22.906 38.348
266 HB3 GLU 35 HB2 GLU 35 41.616 24.380 38.315
267 HG2 GLU 35 HG1 GLU 35 39.852 25.471 39.787
268 HG3 GLU 35 HG2 GLU 35 39.117 23.872 39.965
269 HA PRO 36 HA PRO 36 41.099 25.518 33.487
270 HB2 PRO 36 HB1 PRO 36 43.648 26.588 33.476
271 HB3 PRO 36 HB2 PRO 36 42.133 27.502 33.730
272 HG2 PRO 36 HG1 PRO 36 44.035 26.392 35.808
273 HG3 PRO 36 HG2 PRO 36 43.296 28.025 35.724
274 HD2 PRO 36 HD1 PRO 36 42.273 26.098 37.308
275 HD3 PRO 36 HD2 PRO 36 41.185 27.196 36.415
276 HA PRO 37 HA PRO 37 43.365 21.583 33.081
277 HB2 PRO 37 HB1 PRO 37 42.579 20.907 30.555
278 HB3 PRO 37 HB2 PRO 37 41.469 20.849 31.950
279 HG2 PRO 37 HG1 PRO 37 41.728 23.012 29.888
280 HG3 PRO 37 HG2 PRO 37 40.240 22.249 30.533
281 HD2 PRO 37 HD1 PRO 37 41.184 24.641 31.475
282 HD3 PRO 37 HD2 PRO 37 40.317 23.468 32.507
283 H ALA 38 HN ALA 38 45.087 20.685 31.606
284 HA ALA 38 HA ALA 38 47.116 22.548 31.006
285 HB1 ALA 38 HB1 ALA 38 46.668 19.707 29.970
286 HB2 ALA 38 HB2 ALA 38 48.199 20.595 29.908
287 HB3 ALA 38 HB3 ALA 38 47.497 20.159 31.477
288 H ASP 39 HN ASP 39 44.761 21.077 28.757
289 HA ASP 39 HA ASP 39 45.819 22.261 26.380
290 HB2 ASP 39 HB1 ASP 39 44.411 20.191 26.601
291 HB3 ASP 39 HB2 ASP 39 43.007 21.217 26.924
292 H THR 40 HN THR 40 44.405 23.988 28.853
293 HA THR 40 HA THR 40 42.877 25.851 27.148
294 HB THR 40 HB THR 40 42.410 24.983 29.595
295 HG1 THR 40 HG1 THR 40 41.733 27.097 28.142
296 HG21 THR 40 1HG2 THR 40 43.708 27.655 30.249
297 HG22 THR 40 2HG2 THR 40 42.986 26.470 31.346
298 HG23 THR 40 3HG2 THR 40 44.534 26.123 30.544
299 H ASP 41 HN ASP 41 43.339 28.244 27.225
300 HA ASP 41 HA ASP 41 46.105 28.348 26.202
301 HB2 ASP 41 HB1 ASP 41 44.075 29.164 24.951
302 HB3 ASP 41 HB2 ASP 41 43.913 30.454 26.151
303 H MET 42 HN MET 42 44.323 29.652 28.781
304 HA MET 42 HA MET 42 44.658 30.832 30.648
305 HB2 MET 42 HB1 MET 42 47.551 30.151 30.137
306 HB3 MET 42 HB2 MET 42 46.929 30.884 31.629
307 HG2 MET 42 HG1 MET 42 45.297 29.034 31.878
308 HG3 MET 42 HG2 MET 42 45.901 28.283 30.415
309 HE1 MET 42 HE1 MET 42 47.112 26.137 33.639
310 HE2 MET 42 HE2 MET 42 45.756 27.275 33.662
311 HE3 MET 42 HE3 MET 42 45.957 26.145 32.294
312 H GLU 43 HN GLU 43 46.883 32.111 28.141
313 HA GLU 43 HA GLU 43 46.887 34.808 29.042
314 HB2 GLU 43 HB1 GLU 43 48.382 33.984 27.337
315 HB3 GLU 43 HB2 GLU 43 47.044 33.621 26.250
316 HG2 GLU 43 HG1 GLU 43 46.542 36.006 25.998
317 HG3 GLU 43 HG2 GLU 43 47.749 36.413 27.213
318 H THR 44 HN THR 44 44.619 33.317 26.602
319 HA THR 44 HA THR 44 42.701 35.481 26.841
320 HB THR 44 HB THR 44 42.092 32.702 25.805
321 HG1 THR 44 HG1 THR 44 43.094 33.121 24.018
322 HG21 THR 44 1HG2 THR 44 40.187 34.294 25.691
323 HG22 THR 44 2HG2 THR 44 41.226 35.497 24.904
324 HG23 THR 44 3HG2 THR 44 40.812 33.976 24.078
325 H LEU 45 HN LEU 45 43.418 33.339 29.261
326 HA LEU 45 HA LEU 45 40.583 33.399 30.200
327 HB2 LEU 45 HB1 LEU 45 42.834 31.647 31.200
328 HB3 LEU 45 HB2 LEU 45 41.380 31.887 32.063
329 HG LEU 45 HG LEU 45 41.007 29.918 31.111
330 HD11 LEU 45 1HD1 LEU 45 39.445 31.842 29.480
331 HD12 LEU 45 2HD1 LEU 45 39.492 30.126 29.035
332 HD13 LEU 45 3HD1 LEU 45 38.977 30.558 30.628
333 HD21 LEU 45 3HD2 LEU 45 42.435 30.873 28.675
334 HD22 LEU 45 1HD2 LEU 45 42.906 29.702 29.920
335 HD23 LEU 45 2HD2 LEU 45 41.612 29.289 28.837
336 H LYS 46 HN LYS 46 43.836 34.654 30.882
337 HA LYS 46 HA LYS 46 43.095 35.141 33.543
338 HB2 LYS 46 HB1 LYS 46 45.297 36.092 31.704
339 HB3 LYS 46 HB2 LYS 46 44.911 37.227 32.976
340 HG2 LYS 46 HG1 LYS 46 46.682 36.019 33.794
341 HG3 LYS 46 HG2 LYS 46 45.295 35.449 34.698
342 HD2 LYS 46 HD1 LYS 46 46.449 33.998 32.275
343 HD3 LYS 46 HD2 LYS 46 47.074 33.751 33.884
344 HE2 LYS 46 HE1 LYS 46 44.172 33.158 33.094
345 HE3 LYS 46 HE2 LYS 46 45.468 31.983 33.176
346 HZ1 LYS 46 HZ1 LYS 46 44.425 33.544 35.467
347 HZ2 LYS 46 HZ2 LYS 46 44.356 31.918 35.257
348 HZ3 LYS 46 HZ3 LYS 46 45.800 32.656 35.538
349 H MET 47 HN MET 47 42.269 36.813 30.670
350 HA MET 47 HA MET 47 41.030 39.204 31.809
351 HB2 MET 47 HB1 MET 47 40.283 39.576 29.539
352 HB3 MET 47 HB2 MET 47 41.969 39.051 29.498
353 HG2 MET 47 HG1 MET 47 41.309 36.800 28.797
354 HG3 MET 47 HG2 MET 47 39.606 37.206 28.977
355 HE1 MET 47 HE1 MET 47 42.457 39.509 27.276
356 HE2 MET 47 HE2 MET 47 42.891 37.796 27.062
357 HE3 MET 47 HE3 MET 47 42.402 38.775 25.665
358 H TYR 48 HN TYR 48 40.136 36.014 32.043
359 HA TYR 48 HA TYR 48 37.185 36.483 31.817
360 HB2 TYR 48 HB1 TYR 48 38.041 35.127 29.977
361 HB3 TYR 48 HB2 TYR 48 38.933 34.078 31.054
362 HD1 TYR 48 HD2 TYR 48 35.356 35.206 30.566
363 HD2 TYR 48 HD1 TYR 48 38.115 32.089 31.645
364 HE1 TYR 48 HE2 TYR 48 33.471 33.599 30.743
365 HE2 TYR 48 HE1 TYR 48 36.247 30.472 31.821
366 HH TYR 48 HH TYR 48 33.946 30.180 31.687
367 H MET 49 HN MET 49 39.545 34.185 33.262
368 HA MET 49 HA MET 49 37.671 33.153 35.188
369 HB2 MET 49 HB1 MET 49 40.697 32.844 34.861
370 HB3 MET 49 HB2 MET 49 39.720 31.987 36.082
371 HG2 MET 49 HG1 MET 49 38.238 31.328 34.011
372 HG3 MET 49 HG2 MET 49 39.643 31.863 33.088
373 HE1 MET 49 HE1 MET 49 39.232 28.153 35.756
374 HE2 MET 49 HE2 MET 49 39.344 29.755 36.504
375 HE3 MET 49 HE3 MET 49 38.000 29.383 35.402
376 H ALA 50 HN ALA 50 40.428 35.404 35.603
377 HA ALA 50 HA ALA 50 38.916 36.709 37.825
378 HB1 ALA 50 HB1 ALA 50 41.675 37.294 36.656
379 HB2 ALA 50 HB2 ALA 50 40.885 38.209 37.955
380 HB3 ALA 50 HB3 ALA 50 41.347 36.518 38.224
381 H THR 51 HN THR 51 37.948 38.738 37.362
382 HA THR 51 HA THR 51 37.222 39.061 34.549
383 HB THR 51 HB THR 51 35.668 39.264 36.558
384 HG1 THR 51 HG1 THR 51 34.492 40.899 35.411
385 HG21 THR 51 1HG2 THR 51 37.050 40.979 37.823
386 HG22 THR 51 2HG2 THR 51 36.629 42.160 36.567
387 HG23 THR 51 3HG2 THR 51 35.355 41.431 37.563
388 H TYR 52 HN TYR 52 36.938 41.397 33.796
389 HA TYR 52 HA TYR 52 39.462 42.992 34.053
390 HB2 TYR 52 HB1 TYR 52 39.310 41.942 31.844
391 HB3 TYR 52 HB2 TYR 52 37.669 42.548 31.634
392 HD1 TYR 52 HD1 TYR 52 41.256 43.515 31.824
393 HD2 TYR 52 HD2 TYR 52 37.233 44.873 31.074
394 HE1 TYR 52 HE1 TYR 52 42.143 45.661 30.971
395 HE2 TYR 52 HE2 TYR 52 38.112 47.037 30.267
396 HH TYR 52 HH TYR 52 41.633 47.749 30.132
397 H HIS 53 HN HIS 53 39.197 45.215 34.313
398 HA HIS 53 HA HIS 53 36.439 46.194 34.924
399 HB2 HIS 53 HB1 HIS 53 39.074 47.293 35.942
400 HB3 HIS 53 HB2 HIS 53 37.457 47.742 36.469
401 HD1 HIS 53 HD1 HIS 53 40.167 46.121 37.954
402 HD2 HIS 53 HD2 HIS 53 36.176 44.943 37.115
403 HE1 HIS 53 HE1 HIS 53 39.626 44.157 39.495
Start of MODEL 18
1 H SER 1 H SER 1 27.983 32.424 27.832
2 HA SER 1 HA SER 1 27.137 32.344 25.665
3 HB2 SER 1 HB1 SER 1 25.525 34.051 24.879
4 HB3 SER 1 HB2 SER 1 24.855 32.973 26.118
5 HG SER 1 HG SER 1 24.358 35.166 26.586
6 H MET 2 HN MET 2 26.989 35.836 26.301
7 HA MET 2 HA MET 2 28.582 36.275 24.054
8 HB2 MET 2 HB1 MET 2 28.086 38.598 24.401
9 HB3 MET 2 HB2 MET 2 26.703 37.641 24.903
10 HG2 MET 2 HG1 MET 2 26.736 39.082 26.632
11 HG3 MET 2 HG2 MET 2 27.803 37.871 27.326
12 HE1 MET 2 HE1 MET 2 29.072 41.320 28.668
13 HE2 MET 2 HE2 MET 2 27.412 40.790 28.333
14 HE3 MET 2 HE3 MET 2 28.566 39.672 29.094
15 H VAL 3 HN VAL 3 30.134 35.177 26.450
16 HA VAL 3 HA VAL 3 32.205 37.266 26.933
17 HB VAL 3 HB VAL 3 32.995 35.682 28.749
18 HG11 VAL 3 1HG1 VAL 3 30.147 36.756 28.975
19 HG12 VAL 3 2HG1 VAL 3 31.240 36.378 30.325
20 HG13 VAL 3 3HG1 VAL 3 31.639 37.693 29.207
21 HG21 VAL 3 3HG2 VAL 3 30.327 34.271 28.233
22 HG22 VAL 3 1HG2 VAL 3 31.946 33.575 27.990
23 HG23 VAL 3 2HG2 VAL 3 31.396 34.008 29.612
24 H ASN 4 HN ASN 4 34.364 36.940 26.685
25 HA ASN 4 HA ASN 4 35.353 34.887 24.857
26 HB2 ASN 4 HB1 ASN 4 37.539 35.946 25.293
27 HB3 ASN 4 HB2 ASN 4 36.306 37.107 24.810
28 HD21 ASN 4 2HD2 ASN 4 38.596 36.243 27.370
29 HD22 ASN 4 1HD2 ASN 4 38.071 37.506 28.466
30 H THR 5 HN THR 5 36.519 33.060 25.375
31 HA THR 5 HA THR 5 37.603 32.644 28.123
32 HB THR 5 HB THR 5 36.927 30.365 28.228
33 HG1 THR 5 HG1 THR 5 35.112 30.958 26.104
34 HG21 THR 5 1HG2 THR 5 35.688 32.101 29.358
35 HG22 THR 5 2HG2 THR 5 34.527 32.216 28.017
36 HG23 THR 5 3HG2 THR 5 34.659 30.709 28.970
37 H GLY 6 HN GLY 6 39.488 31.683 28.033
38 HA2 GLY 6 HA1 GLY 6 40.704 30.491 25.677
39 HA3 GLY 6 HA2 GLY 6 41.387 30.588 27.272
40 H LEU 7 HN LEU 7 38.227 29.155 27.337
41 HA LEU 7 HA LEU 7 39.478 26.976 28.658
42 HB2 LEU 7 HB1 LEU 7 36.661 27.756 28.063
43 HB3 LEU 7 HB2 LEU 7 36.942 26.091 28.542
44 HG LEU 7 HG LEU 7 38.032 28.438 30.157
45 HD11 LEU 7 1HD1 LEU 7 35.426 26.900 30.544
46 HD12 LEU 7 2HD1 LEU 7 36.100 28.100 31.670
47 HD13 LEU 7 3HD1 LEU 7 35.576 28.600 30.054
48 HD21 LEU 7 3HD2 LEU 7 38.160 26.783 31.995
49 HD22 LEU 7 1HD2 LEU 7 37.574 25.509 30.912
50 HD23 LEU 7 2HD2 LEU 7 39.158 26.261 30.639
51 HA PRO 8 HA PRO 8 40.221 24.167 25.350
52 HB2 PRO 8 HB1 PRO 8 39.891 21.649 26.301
53 HB3 PRO 8 HB2 PRO 8 41.114 22.756 26.984
54 HG2 PRO 8 HG1 PRO 8 38.281 22.284 28.003
55 HG3 PRO 8 HG2 PRO 8 39.816 22.116 28.908
56 HD2 PRO 8 HD1 PRO 8 38.383 24.403 29.014
57 HD3 PRO 8 HD2 PRO 8 40.163 24.455 28.938
58 H ALA 9 HN ALA 9 39.279 22.278 24.008
59 HA ALA 9 HA ALA 9 37.183 23.309 22.618
60 HB1 ALA 9 HB1 ALA 9 38.088 20.399 22.674
61 HB2 ALA 9 HB2 ALA 9 37.279 21.219 21.322
62 HB3 ALA 9 HB3 ALA 9 38.903 21.728 21.811
63 H GLY 10 HN GLY 10 36.502 21.681 25.496
64 HA2 GLY 10 HA1 GLY 10 33.643 21.140 24.735
65 HA3 GLY 10 HA2 GLY 10 34.491 20.420 26.130
66 H TRP 11 HN TRP 11 33.835 23.734 24.837
67 HA TRP 11 HA TRP 11 33.672 24.684 27.643
68 HB2 TRP 11 HB1 TRP 11 34.290 26.862 26.733
69 HB3 TRP 11 HB2 TRP 11 35.463 25.634 26.323
70 HD1 TRP 11 HD1 TRP 11 35.665 24.937 23.752
71 HE1 TRP 11 HE1 TRP 11 34.865 25.979 21.551
72 HE3 TRP 11 HE3 TRP 11 32.471 28.460 25.653
73 HZ2 TRP 11 HZ2 TRP 11 33.098 28.115 20.724
74 HZ3 TRP 11 HZ3 TRP 11 31.254 29.990 24.136
75 HH2 TRP 11 HH2 TRP 11 31.545 29.823 21.674
76 H GLU 12 HN GLU 12 32.199 25.909 28.434
77 HA GLU 12 HA GLU 12 30.440 27.746 27.489
78 HB2 GLU 12 HB1 GLU 12 29.315 25.069 27.070
79 HB3 GLU 12 HB2 GLU 12 28.387 25.922 28.281
80 HG2 GLU 12 HG1 GLU 12 29.068 27.215 25.621
81 HG3 GLU 12 HG2 GLU 12 27.661 26.176 25.854
82 H VAL 13 HN VAL 13 28.750 28.173 29.412
83 HA VAL 13 HA VAL 13 29.718 27.024 31.976
84 HB VAL 13 HB VAL 13 31.064 29.073 31.654
85 HG11 VAL 13 1HG1 VAL 13 30.125 31.291 31.871
86 HG12 VAL 13 2HG1 VAL 13 29.397 30.483 30.475
87 HG13 VAL 13 3HG1 VAL 13 28.480 30.643 31.990
88 HG21 VAL 13 3HG2 VAL 13 29.203 29.317 34.040
89 HG22 VAL 13 1HG2 VAL 13 30.576 28.190 33.915
90 HG23 VAL 13 2HG2 VAL 13 30.855 29.939 33.884
91 H ARG 14 HN ARG 14 28.333 26.910 33.604
92 HA ARG 14 HA ARG 14 25.587 27.996 33.328
93 HB2 ARG 14 HB1 ARG 14 26.407 25.127 33.931
94 HB3 ARG 14 HB2 ARG 14 24.757 25.708 34.093
95 HG2 ARG 14 HG1 ARG 14 26.256 25.677 31.424
96 HG3 ARG 14 HG2 ARG 14 25.304 24.339 32.042
97 HD2 ARG 14 HD1 ARG 14 23.933 25.525 30.527
98 HD3 ARG 14 HD2 ARG 14 23.297 25.777 32.161
99 HE ARG 14 HE ARG 14 25.083 27.910 31.328
100 HH11 ARG 14 1HH1 ARG 14 21.763 26.746 30.915
101 HH12 ARG 14 2HH1 ARG 14 21.153 28.367 30.648
102 HH21 ARG 14 1HH2 ARG 14 24.127 30.016 31.029
103 HH22 ARG 14 2HH2 ARG 14 22.449 30.063 30.536
104 H HIS 15 HN HIS 15 24.353 27.826 35.334
105 HA HIS 15 HA HIS 15 25.868 27.485 37.844
106 HB2 HIS 15 HB1 HIS 15 25.477 29.675 38.665
107 HB3 HIS 15 HB2 HIS 15 26.233 29.853 37.099
108 HD1 HIS 15 HD1 HIS 15 23.405 31.162 39.079
109 HD2 HIS 15 HD2 HIS 15 24.288 30.391 35.001
110 HE1 HIS 15 HE1 HIS 15 21.800 32.572 37.678
111 H SER 16 HN SER 16 24.330 27.836 39.808
112 HA SER 16 HA SER 16 21.476 27.277 39.281
113 HB2 SER 16 HB1 SER 16 21.425 25.091 40.182
114 HB3 SER 16 HB2 SER 16 22.751 25.078 39.021
115 HG SER 16 HG SER 16 23.677 24.182 40.734
116 H ASN 17 HN ASN 17 20.285 26.786 41.380
117 HA ASN 17 HA ASN 17 20.985 28.691 43.479
118 HB2 ASN 17 HB1 ASN 17 18.826 26.551 43.231
119 HB3 ASN 17 HB2 ASN 17 18.974 27.645 44.600
120 HD21 ASN 17 2HD2 ASN 17 18.098 27.455 41.156
121 HD22 ASN 17 1HD2 ASN 17 17.261 29.014 41.171
122 H SER 18 HN SER 18 22.043 25.457 42.840
123 HA SER 18 HA SER 18 22.007 24.534 45.602
124 HB2 SER 18 HB1 SER 18 23.145 23.393 43.033
125 HB3 SER 18 HB2 SER 18 23.378 22.617 44.606
126 HG SER 18 HG SER 18 21.222 22.373 44.876
127 H LYS 19 HN LYS 19 24.436 26.080 43.573
128 HA LYS 19 HA LYS 19 26.446 26.083 45.767
129 HB2 LYS 19 HB1 LYS 19 26.773 24.885 42.975
130 HB3 LYS 19 HB2 LYS 19 28.156 25.434 43.922
131 HG2 LYS 19 HG1 LYS 19 27.651 23.888 45.720
132 HG3 LYS 19 HG2 LYS 19 26.163 23.361 44.928
133 HD2 LYS 19 HD1 LYS 19 27.365 22.287 43.141
134 HD3 LYS 19 HD2 LYS 19 28.924 22.901 43.750
135 HE2 LYS 19 HE1 LYS 19 28.690 21.655 45.824
136 HE3 LYS 19 HE2 LYS 19 27.028 21.199 45.435
137 HZ1 LYS 19 HZ1 LYS 19 29.359 20.257 43.861
138 HZ2 LYS 19 HZ2 LYS 19 28.650 19.426 45.092
139 HZ3 LYS 19 HZ3 LYS 19 27.808 19.755 43.720
140 H ASN 20 HN ASN 20 27.936 27.822 45.611
141 HA ASN 20 HA ASN 20 26.930 30.199 44.194
142 HB2 ASN 20 HB1 ASN 20 27.614 30.349 46.543
143 HB3 ASN 20 HB2 ASN 20 29.226 29.744 46.150
144 HD21 ASN 20 2HD2 ASN 20 26.961 32.479 45.324
145 HD22 ASN 20 1HD2 ASN 20 28.257 33.632 45.100
146 H LEU 21 HN LEU 21 29.634 27.902 43.858
147 HA LEU 21 HA LEU 21 30.958 29.488 41.793
148 HB2 LEU 21 HB1 LEU 21 31.261 26.697 42.907
149 HB3 LEU 21 HB2 LEU 21 31.958 27.042 41.341
150 HG LEU 21 HG LEU 21 33.570 27.214 43.164
151 HD11 LEU 21 1HD1 LEU 21 33.163 29.901 41.800
152 HD12 LEU 21 2HD1 LEU 21 34.665 29.272 42.495
153 HD13 LEU 21 3HD1 LEU 21 33.957 28.476 41.083
154 HD21 LEU 21 3HD2 LEU 21 32.080 29.697 44.108
155 HD22 LEU 21 1HD2 LEU 21 32.092 28.121 44.938
156 HD23 LEU 21 2HD2 LEU 21 33.595 29.040 44.755
157 HA PRO 22 HA PRO 22 28.516 27.922 38.284
158 HB2 PRO 22 HB1 PRO 22 30.177 28.516 36.209
159 HB3 PRO 22 HB2 PRO 22 29.406 29.806 37.164
160 HG2 PRO 22 HG1 PRO 22 32.201 28.661 37.515
161 HG3 PRO 22 HG2 PRO 22 31.726 30.385 37.383
162 HD2 PRO 22 HD1 PRO 22 32.113 29.121 39.807
163 HD3 PRO 22 HD2 PRO 22 30.909 30.428 39.586
164 H TYR 23 HN TYR 23 29.064 26.396 36.349
165 HA TYR 23 HA TYR 23 31.519 24.805 36.692
166 HB2 TYR 23 HB1 TYR 23 30.465 22.683 36.255
167 HB3 TYR 23 HB2 TYR 23 29.838 23.384 37.731
168 HD1 TYR 23 HD2 TYR 23 29.027 22.521 34.215
169 HD2 TYR 23 HD1 TYR 23 27.500 23.999 37.965
170 HE1 TYR 23 HE2 TYR 23 26.703 22.073 33.446
171 HE2 TYR 23 HE1 TYR 23 25.177 23.544 37.205
172 HH TYR 23 HH TYR 23 23.850 22.752 35.502
173 H TYR 24 HN TYR 24 32.516 24.256 34.771
174 HA TYR 24 HA TYR 24 31.485 25.688 32.421
175 HB2 TYR 24 HB1 TYR 24 34.053 24.124 32.685
176 HB3 TYR 24 HB2 TYR 24 33.645 25.303 31.448
177 HD1 TYR 24 HD1 TYR 24 32.766 27.676 32.654
178 HD2 TYR 24 HD2 TYR 24 35.646 24.887 34.229
179 HE1 TYR 24 HE1 TYR 24 33.646 29.439 34.162
180 HE2 TYR 24 HE2 TYR 24 36.538 26.656 35.737
181 HH TYR 24 HH TYR 24 35.127 29.957 35.826
182 H PHE 25 HN PHE 25 30.330 24.745 30.850
183 HA PHE 25 HA PHE 25 29.645 21.879 31.193
184 HB2 PHE 25 HB1 PHE 25 27.863 23.533 31.168
185 HB3 PHE 25 HB2 PHE 25 28.397 24.149 29.617
186 HD1 PHE 25 HD2 PHE 25 26.878 21.209 31.324
187 HD2 PHE 25 HD1 PHE 25 27.727 23.063 27.515
188 HE1 PHE 25 HE2 PHE 25 25.255 19.713 30.215
189 HE2 PHE 25 HE1 PHE 25 26.060 21.595 26.433
190 HZ PHE 25 HZ PHE 25 24.829 19.902 27.771
191 H ASN 26 HN ASN 26 30.315 20.277 29.877
192 HA ASN 26 HA ASN 26 31.625 20.949 27.317
193 HB2 ASN 26 HB1 ASN 26 32.713 19.406 28.871
194 HB3 ASN 26 HB2 ASN 26 31.356 18.295 28.744
195 HD21 ASN 26 2HD2 ASN 26 34.063 17.623 28.126
196 HD22 ASN 26 1HD2 ASN 26 34.089 17.193 26.435
197 HA PRO 27 HA PRO 27 27.548 20.064 25.551
198 HB2 PRO 27 HB1 PRO 27 27.966 20.934 22.994
199 HB3 PRO 27 HB2 PRO 27 27.766 22.038 24.386
200 HG2 PRO 27 HG1 PRO 27 30.348 21.111 23.098
201 HG3 PRO 27 HG2 PRO 27 29.870 22.780 23.546
202 HD2 PRO 27 HD1 PRO 27 31.439 21.215 25.151
203 HD3 PRO 27 HD2 PRO 27 30.268 22.387 25.822
204 H ALA 28 HN ALA 28 30.634 18.959 24.102
205 HA ALA 28 HA ALA 28 29.291 17.167 22.221
206 HB1 ALA 28 HB1 ALA 28 32.239 17.799 22.729
207 HB2 ALA 28 HB2 ALA 28 31.583 16.912 21.334
208 HB3 ALA 28 HB3 ALA 28 31.181 18.623 21.559
209 H THR 29 HN THR 29 30.712 16.854 25.337
210 HA THR 29 HA THR 29 30.216 13.929 25.378
211 HB THR 29 HB THR 29 32.762 15.327 26.329
212 HG1 THR 29 HG1 THR 29 33.324 14.578 24.466
213 HG21 THR 29 1HG2 THR 29 33.458 13.069 27.128
214 HG22 THR 29 2HG2 THR 29 32.163 13.767 28.101
215 HG23 THR 29 3HG2 THR 29 31.785 12.495 26.913
216 H ARG 30 HN ARG 30 29.134 13.367 27.238
217 HA ARG 30 HA ARG 30 27.988 15.480 28.778
218 HB2 ARG 30 HB1 ARG 30 27.118 13.046 28.092
219 HB3 ARG 30 HB2 ARG 30 27.706 12.615 29.680
220 HG2 ARG 30 HG1 ARG 30 25.660 14.750 28.940
221 HG3 ARG 30 HG2 ARG 30 25.314 13.193 29.677
222 HD2 ARG 30 HD1 ARG 30 26.848 15.469 30.990
223 HD3 ARG 30 HD2 ARG 30 25.159 15.064 31.280
224 HE ARG 30 HE ARG 30 26.005 12.776 32.022
225 HH11 ARG 30 1HH1 ARG 30 27.785 15.779 32.702
226 HH12 ARG 30 2HH1 ARG 30 28.672 15.064 34.005
227 HH21 ARG 30 1HH2 ARG 30 27.233 11.892 33.697
228 HH22 ARG 30 2HH2 ARG 30 28.365 12.907 34.552
229 H GLU 31 HN GLU 31 29.655 16.583 29.752
230 HA GLU 31 HA GLU 31 30.642 15.585 32.314
231 HB2 GLU 31 HB1 GLU 31 32.192 14.636 30.584
232 HB3 GLU 31 HB2 GLU 31 32.550 16.265 30.036
233 HG2 GLU 31 HG1 GLU 31 34.316 15.271 31.430
234 HG3 GLU 31 HG2 GLU 31 33.714 16.757 32.132
235 H SER 32 HN SER 32 32.104 17.343 33.335
236 HA SER 32 HA SER 32 31.784 20.040 32.293
237 HB2 SER 32 HB1 SER 32 30.829 20.923 34.457
238 HB3 SER 32 HB2 SER 32 29.710 20.027 33.421
239 HG SER 32 HG SER 32 29.528 19.427 35.633
240 H ARG 33 HN ARG 33 33.358 21.394 32.928
241 HA ARG 33 HA ARG 33 35.636 20.256 34.478
242 HB2 ARG 33 HB1 ARG 33 35.986 20.838 32.087
243 HB3 ARG 33 HB2 ARG 33 35.474 22.475 32.404
244 HG2 ARG 33 HG1 ARG 33 37.810 22.584 32.228
245 HG3 ARG 33 HG2 ARG 33 37.471 22.736 33.958
246 HD2 ARG 33 HD1 ARG 33 39.413 21.405 33.525
247 HD3 ARG 33 HD2 ARG 33 38.170 20.443 34.361
248 HE ARG 33 HE ARG 33 37.881 19.927 31.598
249 HH11 ARG 33 1HH1 ARG 33 40.533 19.464 33.961
250 HH12 ARG 33 2HH1 ARG 33 40.923 17.908 33.244
251 HH21 ARG 33 1HH2 ARG 33 38.639 18.165 30.657
252 HH22 ARG 33 2HH2 ARG 33 40.114 17.382 31.213
253 H TRP 34 HN TRP 34 36.588 21.448 36.072
254 HA TRP 34 HA TRP 34 34.852 23.449 37.431
255 HB2 TRP 34 HB1 TRP 34 36.753 21.971 39.098
256 HB3 TRP 34 HB2 TRP 34 35.018 22.102 39.223
257 HD1 TRP 34 HD1 TRP 34 33.636 20.014 38.522
258 HE1 TRP 34 HE1 TRP 34 34.138 17.717 37.519
259 HE3 TRP 34 HE3 TRP 34 38.545 20.741 37.245
260 HZ2 TRP 34 HZ2 TRP 34 36.413 16.315 36.416
261 HZ3 TRP 34 HZ3 TRP 34 39.864 18.884 36.265
262 HH2 TRP 34 HH2 TRP 34 38.811 16.678 35.838
263 H GLU 35 HN GLU 35 38.184 22.911 36.456
264 HA GLU 35 HA GLU 35 39.092 25.524 37.469
265 HB2 GLU 35 HB1 GLU 35 40.249 22.822 38.305
266 HB3 GLU 35 HB2 GLU 35 41.132 24.337 38.443
267 HG2 GLU 35 HG1 GLU 35 39.101 25.188 39.825
268 HG3 GLU 35 HG2 GLU 35 38.656 23.475 39.960
269 HA PRO 36 HA PRO 36 41.027 25.659 33.654
270 HB2 PRO 36 HB1 PRO 36 43.458 26.937 34.037
271 HB3 PRO 36 HB2 PRO 36 41.847 27.714 34.061
272 HG2 PRO 36 HG1 PRO 36 43.469 26.707 36.420
273 HG3 PRO 36 HG2 PRO 36 42.630 28.283 36.236
274 HD2 PRO 36 HD1 PRO 36 41.474 26.311 37.609
275 HD3 PRO 36 HD2 PRO 36 40.497 27.291 36.479
276 HA PRO 37 HA PRO 37 43.648 21.938 33.641
277 HB2 PRO 37 HB1 PRO 37 43.090 21.061 31.125
278 HB3 PRO 37 HB2 PRO 37 41.912 20.964 32.461
279 HG2 PRO 37 HG1 PRO 37 42.030 22.996 30.255
280 HG3 PRO 37 HG2 PRO 37 40.610 22.155 30.944
281 HD2 PRO 37 HD1 PRO 37 41.373 24.695 31.691
282 HD3 PRO 37 HD2 PRO 37 40.479 23.565 32.743
283 H ALA 38 HN ALA 38 45.459 21.078 32.139
284 HA ALA 38 HA ALA 38 47.400 23.142 31.738
285 HB1 ALA 38 HB1 ALA 38 47.399 20.260 30.786
286 HB2 ALA 38 HB2 ALA 38 48.814 21.319 30.972
287 HB3 ALA 38 HB3 ALA 38 47.902 20.811 32.400
288 H ASP 39 HN ASP 39 45.264 21.510 29.422
289 HA ASP 39 HA ASP 39 46.572 22.501 27.074
290 HB2 ASP 39 HB1 ASP 39 45.170 20.446 27.322
291 HB3 ASP 39 HB2 ASP 39 43.738 21.468 27.450
292 H THR 40 HN THR 40 44.596 24.240 29.229
293 HA THR 40 HA THR 40 43.038 25.766 27.361
294 HB THR 40 HB THR 40 42.599 25.031 29.796
295 HG1 THR 40 HG1 THR 40 41.676 26.920 28.254
296 HG21 THR 40 1HG2 THR 40 43.601 27.823 30.460
297 HG22 THR 40 2HG2 THR 40 43.061 26.538 31.557
298 HG23 THR 40 3HG2 THR 40 44.618 26.401 30.708
299 H ASP 41 HN ASP 41 42.923 28.356 27.965
300 HA ASP 41 HA ASP 41 45.567 29.413 27.066
301 HB2 ASP 41 HB1 ASP 41 43.684 28.963 25.269
302 HB3 ASP 41 HB2 ASP 41 42.930 30.370 25.940
303 H MET 42 HN MET 42 45.081 29.715 29.678
304 HA MET 42 HA MET 42 44.165 31.894 30.916
305 HB2 MET 42 HB1 MET 42 47.036 30.985 30.724
306 HB3 MET 42 HB2 MET 42 46.463 32.163 31.899
307 HG2 MET 42 HG1 MET 42 45.822 30.466 33.234
308 HG3 MET 42 HG2 MET 42 44.542 30.103 32.091
309 HE1 MET 42 HE1 MET 42 48.655 28.127 32.569
310 HE2 MET 42 HE2 MET 42 48.463 29.800 32.055
311 HE3 MET 42 HE3 MET 42 47.873 29.288 33.650
312 H GLU 43 HN GLU 43 46.632 32.320 28.289
313 HA GLU 43 HA GLU 43 46.962 35.078 28.284
314 HB2 GLU 43 HB1 GLU 43 48.102 33.605 26.801
315 HB3 GLU 43 HB2 GLU 43 46.601 33.094 26.023
316 HG2 GLU 43 HG1 GLU 43 46.302 35.339 25.058
317 HG3 GLU 43 HG2 GLU 43 47.742 35.909 25.925
318 H THR 44 HN THR 44 44.164 33.371 26.827
319 HA THR 44 HA THR 44 42.654 35.841 26.218
320 HB THR 44 HB THR 44 42.040 32.842 25.929
321 HG1 THR 44 HG1 THR 44 43.580 33.306 24.542
322 HG21 THR 44 1HG2 THR 44 39.894 34.000 25.842
323 HG22 THR 44 2HG2 THR 44 40.576 35.315 24.864
324 HG23 THR 44 3HG2 THR 44 40.380 33.683 24.176
325 H LEU 45 HN LEU 45 43.070 33.916 28.936
326 HA LEU 45 HA LEU 45 40.177 33.899 29.672
327 HB2 LEU 45 HB1 LEU 45 41.308 31.928 28.726
328 HB3 LEU 45 HB2 LEU 45 42.439 31.948 30.021
329 HG LEU 45 HG LEU 45 40.618 31.437 31.596
330 HD11 LEU 45 1HD1 LEU 45 38.979 30.368 29.329
331 HD12 LEU 45 2HD1 LEU 45 38.562 30.584 30.999
332 HD13 LEU 45 3HD1 LEU 45 38.710 32.018 29.954
333 HD21 LEU 45 3HD2 LEU 45 42.223 29.776 30.941
334 HD22 LEU 45 1HD2 LEU 45 40.628 29.016 31.034
335 HD23 LEU 45 2HD2 LEU 45 41.331 29.420 29.452
336 H LYS 46 HN LYS 46 43.369 34.781 30.945
337 HA LYS 46 HA LYS 46 42.425 35.402 33.619
338 HB2 LYS 46 HB1 LYS 46 44.545 36.526 31.749
339 HB3 LYS 46 HB2 LYS 46 43.993 37.528 33.074
340 HG2 LYS 46 HG1 LYS 46 45.960 36.481 33.772
341 HG3 LYS 46 HG2 LYS 46 44.641 35.814 34.730
342 HD2 LYS 46 HD1 LYS 46 45.720 34.435 32.251
343 HD3 LYS 46 HD2 LYS 46 46.523 34.264 33.787
344 HE2 LYS 46 HE1 LYS 46 43.542 33.670 33.643
345 HE3 LYS 46 HE2 LYS 46 44.684 32.482 33.050
346 HZ1 LYS 46 HZ1 LYS 46 44.790 33.644 35.772
347 HZ2 LYS 46 HZ2 LYS 46 44.220 32.158 35.410
348 HZ3 LYS 46 HZ3 LYS 46 45.812 32.531 35.169
349 H MET 47 HN MET 47 42.122 36.972 30.444
350 HA MET 47 HA MET 47 40.500 39.189 31.206
351 HB2 MET 47 HB1 MET 47 40.383 37.790 28.525
352 HB3 MET 47 HB2 MET 47 40.082 39.482 28.896
353 HG2 MET 47 HG1 MET 47 42.750 38.032 28.825
354 HG3 MET 47 HG2 MET 47 42.180 39.313 27.775
355 HE1 MET 47 HE1 MET 47 44.500 40.435 28.069
356 HE2 MET 47 HE2 MET 47 45.200 40.909 29.630
357 HE3 MET 47 HE3 MET 47 45.023 39.192 29.224
358 H TYR 48 HN TYR 48 39.659 36.140 31.887
359 HA TYR 48 HA TYR 48 36.731 36.689 31.697
360 HB2 TYR 48 HB1 TYR 48 37.280 35.135 29.960
361 HB3 TYR 48 HB2 TYR 48 38.344 34.209 30.976
362 HD1 TYR 48 HD1 TYR 48 34.708 35.178 30.754
363 HD2 TYR 48 HD2 TYR 48 37.653 32.282 31.968
364 HE1 TYR 48 HE1 TYR 48 32.904 33.544 31.237
365 HE2 TYR 48 HE2 TYR 48 35.860 30.606 32.340
366 HH TYR 48 HH TYR 48 32.394 31.406 31.890
367 H MET 49 HN MET 49 39.296 34.759 33.278
368 HA MET 49 HA MET 49 37.696 34.125 35.633
369 HB2 MET 49 HB1 MET 49 40.583 33.515 34.832
370 HB3 MET 49 HB2 MET 49 39.783 32.925 36.297
371 HG2 MET 49 HG1 MET 49 37.961 32.051 34.594
372 HG3 MET 49 HG2 MET 49 39.284 32.197 33.415
373 HE1 MET 49 HE1 MET 49 38.745 28.357 34.283
374 HE2 MET 49 HE2 MET 49 37.560 29.670 34.171
375 HE3 MET 49 HE3 MET 49 38.844 29.518 32.946
376 H ALA 50 HN ALA 50 39.974 36.675 34.892
377 HA ALA 50 HA ALA 50 39.594 37.996 37.444
378 HB1 ALA 50 HB1 ALA 50 42.328 36.780 36.813
379 HB2 ALA 50 HB2 ALA 50 41.989 37.934 38.120
380 HB3 ALA 50 HB3 ALA 50 41.265 36.320 38.158
381 H THR 51 HN THR 51 38.738 39.209 35.508
382 HA THR 51 HA THR 51 40.241 39.867 33.321
383 HB THR 51 HB THR 51 37.880 41.425 34.403
384 HG1 THR 51 HG1 THR 51 36.694 39.891 33.373
385 HG21 THR 51 1HG2 THR 51 38.873 40.977 31.549
386 HG22 THR 51 2HG2 THR 51 37.330 41.736 32.000
387 HG23 THR 51 3HG2 THR 51 38.852 42.523 32.426
388 H TYR 52 HN TYR 52 41.794 41.166 32.824
389 HA TYR 52 HA TYR 52 42.615 43.549 34.371
390 HB2 TYR 52 HB1 TYR 52 44.356 42.133 33.582
391 HB3 TYR 52 HB2 TYR 52 43.654 42.023 31.975
392 HD1 TYR 52 HD1 TYR 52 45.214 44.457 34.361
393 HD2 TYR 52 HD2 TYR 52 44.226 43.541 30.264
394 HE1 TYR 52 HE1 TYR 52 46.444 46.466 33.623
395 HE2 TYR 52 HE2 TYR 52 45.488 45.544 29.509
396 HH TYR 52 HH TYR 52 47.177 47.734 31.790
397 H HIS 53 HN HIS 53 42.654 45.630 33.534
398 HA HIS 53 HA HIS 53 41.462 46.365 30.965
399 HB2 HIS 53 HB1 HIS 53 40.222 47.230 33.624
400 HB3 HIS 53 HB2 HIS 53 39.914 48.031 32.092
401 HD1 HIS 53 HD1 HIS 53 38.066 45.867 34.219
402 HD2 HIS 53 HD2 HIS 53 39.082 45.908 30.100
403 HE1 HIS 53 HE1 HIS 53 36.259 44.530 32.979
Start of MODEL 19
1 H SER 1 H SER 1 27.185 39.514 28.481
2 HA SER 1 HA SER 1 25.463 37.317 29.365
3 HB2 SER 1 HB1 SER 1 24.709 37.080 27.058
4 HB3 SER 1 HB2 SER 1 24.217 38.603 27.793
5 HG SER 1 HG SER 1 25.062 38.679 25.604
6 H MET 2 HN MET 2 26.827 36.627 26.291
7 HA MET 2 HA MET 2 28.650 34.707 27.402
8 HB2 MET 2 HB1 MET 2 28.256 35.857 24.621
9 HB3 MET 2 HB2 MET 2 29.609 34.783 24.975
10 HG2 MET 2 HG1 MET 2 28.075 33.036 25.781
11 HG3 MET 2 HG2 MET 2 26.697 34.085 25.463
12 HE1 MET 2 HE1 MET 2 30.008 33.252 23.310
13 HE2 MET 2 HE2 MET 2 29.432 31.768 24.112
14 HE3 MET 2 HE3 MET 2 29.330 31.923 22.351
15 H VAL 3 HN VAL 3 30.882 34.603 27.437
16 HA VAL 3 HA VAL 3 32.419 37.180 27.323
17 HB VAL 3 HB VAL 3 33.171 34.960 29.228
18 HG11 VAL 3 1HG1 VAL 3 33.561 37.993 29.260
19 HG12 VAL 3 2HG1 VAL 3 34.128 36.881 30.519
20 HG13 VAL 3 3HG1 VAL 3 34.805 36.776 28.897
21 HG21 VAL 3 3HG2 VAL 3 31.162 37.164 29.880
22 HG22 VAL 3 1HG2 VAL 3 30.866 35.409 29.909
23 HG23 VAL 3 2HG2 VAL 3 31.972 36.126 31.075
24 H ASN 4 HN ASN 4 34.711 36.953 26.722
25 HA ASN 4 HA ASN 4 35.339 34.665 24.987
26 HB2 ASN 4 HB1 ASN 4 37.028 36.976 25.992
27 HB3 ASN 4 HB2 ASN 4 37.629 35.687 24.949
28 HD21 ASN 4 2HD2 ASN 4 35.112 35.569 23.243
29 HD22 ASN 4 1HD2 ASN 4 35.284 37.013 22.256
30 H THR 5 HN THR 5 36.831 33.036 25.406
31 HA THR 5 HA THR 5 38.124 32.758 28.120
32 HB THR 5 HB THR 5 37.560 30.418 28.197
33 HG1 THR 5 HG1 THR 5 35.436 30.650 26.465
34 HG21 THR 5 1HG2 THR 5 35.121 32.234 28.193
35 HG22 THR 5 2HG2 THR 5 35.242 30.626 28.954
36 HG23 THR 5 3HG2 THR 5 36.306 31.927 29.485
37 H GLY 6 HN GLY 6 39.999 31.760 27.980
38 HA2 GLY 6 HA1 GLY 6 40.994 30.582 25.472
39 HA3 GLY 6 HA2 GLY 6 41.909 30.794 26.935
40 H LEU 7 HN LEU 7 38.623 29.262 26.745
41 HA LEU 7 HA LEU 7 39.766 27.042 28.261
42 HB2 LEU 7 HB1 LEU 7 36.996 27.966 27.658
43 HB3 LEU 7 HB2 LEU 7 37.205 26.273 28.035
44 HG LEU 7 HG LEU 7 38.281 28.502 29.819
45 HD11 LEU 7 1HD1 LEU 7 35.720 26.859 30.135
46 HD12 LEU 7 2HD1 LEU 7 36.330 28.088 31.266
47 HD13 LEU 7 3HD1 LEU 7 35.787 28.562 29.649
48 HD21 LEU 7 3HD2 LEU 7 37.838 25.545 30.455
49 HD22 LEU 7 1HD2 LEU 7 39.422 26.304 30.210
50 HD23 LEU 7 2HD2 LEU 7 38.417 26.788 31.573
51 HA PRO 8 HA PRO 8 40.385 24.262 24.900
52 HB2 PRO 8 HB1 PRO 8 39.779 21.786 25.802
53 HB3 PRO 8 HB2 PRO 8 41.063 22.750 26.559
54 HG2 PRO 8 HG1 PRO 8 38.138 22.633 27.407
55 HG3 PRO 8 HG2 PRO 8 39.563 22.176 28.384
56 HD2 PRO 8 HD1 PRO 8 38.597 24.652 28.575
57 HD3 PRO 8 HD2 PRO 8 40.357 24.454 28.402
58 H ALA 9 HN ALA 9 39.279 22.487 23.525
59 HA ALA 9 HA ALA 9 37.129 23.834 22.271
60 HB1 ALA 9 HB1 ALA 9 38.355 21.109 21.688
61 HB2 ALA 9 HB2 ALA 9 37.438 22.116 20.545
62 HB3 ALA 9 HB3 ALA 9 39.009 22.677 21.149
63 H GLY 10 HN GLY 10 36.162 22.887 24.798
64 HA2 GLY 10 HA1 GLY 10 33.528 22.159 23.935
65 HA3 GLY 10 HA2 GLY 10 34.270 20.821 24.797
66 H TRP 11 HN TRP 11 32.891 24.045 25.137
67 HA TRP 11 HA TRP 11 32.752 23.726 28.065
68 HB2 TRP 11 HB1 TRP 11 33.897 25.726 28.537
69 HB3 TRP 11 HB2 TRP 11 34.953 24.822 27.471
70 HD1 TRP 11 HD1 TRP 11 34.955 25.708 24.827
71 HE1 TRP 11 HE1 TRP 11 34.602 28.032 23.819
72 HE3 TRP 11 HE3 TRP 11 32.952 28.077 28.914
73 HZ2 TRP 11 HZ2 TRP 11 33.577 30.589 24.656
74 HZ3 TRP 11 HZ3 TRP 11 32.301 30.466 28.771
75 HH2 TRP 11 HH2 TRP 11 32.591 31.726 26.655
76 H GLU 12 HN GLU 12 31.146 24.813 29.095
77 HA GLU 12 HA GLU 12 29.890 27.235 28.157
78 HB2 GLU 12 HB1 GLU 12 28.606 24.857 27.382
79 HB3 GLU 12 HB2 GLU 12 27.797 25.248 28.887
80 HG2 GLU 12 HG1 GLU 12 28.120 27.183 26.546
81 HG3 GLU 12 HG2 GLU 12 26.735 26.130 26.779
82 H VAL 13 HN VAL 13 28.661 28.182 30.080
83 HA VAL 13 HA VAL 13 30.052 27.174 32.569
84 HB VAL 13 HB VAL 13 28.932 29.961 32.184
85 HG11 VAL 13 1HG1 VAL 13 30.852 28.771 34.223
86 HG12 VAL 13 2HG1 VAL 13 30.400 30.486 34.120
87 HG13 VAL 13 3HG1 VAL 13 29.182 29.277 34.542
88 HG21 VAL 13 3HG2 VAL 13 31.794 29.017 31.761
89 HG22 VAL 13 1HG2 VAL 13 30.707 29.708 30.541
90 HG23 VAL 13 2HG2 VAL 13 31.275 30.710 31.877
91 H ARG 14 HN ARG 14 28.830 26.137 33.989
92 HA ARG 14 HA ARG 14 25.968 26.909 34.253
93 HB2 ARG 14 HB1 ARG 14 27.417 24.337 34.944
94 HB3 ARG 14 HB2 ARG 14 25.720 24.622 35.300
95 HG2 ARG 14 HG1 ARG 14 26.744 24.768 32.430
96 HG3 ARG 14 HG2 ARG 14 26.406 23.233 33.211
97 HD2 ARG 14 HD1 ARG 14 24.482 23.843 31.939
98 HD3 ARG 14 HD2 ARG 14 24.097 23.865 33.654
99 HE ARG 14 HE ARG 14 23.777 26.164 33.592
100 HH11 ARG 14 1HH1 ARG 14 25.095 25.251 30.398
101 HH12 ARG 14 2HH1 ARG 14 24.984 26.895 29.826
102 HH21 ARG 14 1HH2 ARG 14 23.424 28.062 32.735
103 HH22 ARG 14 2HH2 ARG 14 23.889 28.467 31.104
104 H HIS 15 HN HIS 15 25.488 28.081 35.884
105 HA HIS 15 HA HIS 15 26.231 27.482 38.597
106 HB2 HIS 15 HB1 HIS 15 27.362 29.402 39.245
107 HB3 HIS 15 HB2 HIS 15 28.185 28.929 37.773
108 HD1 HIS 15 HD1 HIS 15 26.723 31.910 39.408
109 HD2 HIS 15 HD2 HIS 15 27.264 30.423 35.471
110 HE1 HIS 15 HE1 HIS 15 26.584 33.907 37.820
111 H SER 16 HN SER 16 24.983 28.852 40.183
112 HA SER 16 HA SER 16 22.502 29.970 38.951
113 HB2 SER 16 HB1 SER 16 21.079 28.574 40.187
114 HB3 SER 16 HB2 SER 16 22.246 27.477 39.442
115 HG SER 16 HG SER 16 22.983 26.955 41.381
116 H ASN 17 HN ASN 17 21.023 30.909 40.606
117 HA ASN 17 HA ASN 17 22.255 32.713 42.442
118 HB2 ASN 17 HB1 ASN 17 19.975 33.132 43.156
119 HB3 ASN 17 HB2 ASN 17 20.039 33.035 41.403
120 HD21 ASN 17 2HD2 ASN 17 18.049 32.280 43.851
121 HD22 ASN 17 1HD2 ASN 17 17.330 30.804 43.178
122 H SER 18 HN SER 18 21.409 29.322 42.798
123 HA SER 18 HA SER 18 21.651 29.365 45.760
124 HB2 SER 18 HB1 SER 18 20.968 27.154 43.789
125 HB3 SER 18 HB2 SER 18 21.058 26.958 45.549
126 HG SER 18 HG SER 18 18.899 27.378 44.791
127 H LYS 19 HN LYS 19 23.810 29.103 43.140
128 HA LYS 19 HA LYS 19 25.997 28.570 44.939
129 HB2 LYS 19 HB1 LYS 19 25.150 26.218 44.376
130 HB3 LYS 19 HB2 LYS 19 25.652 26.540 42.712
131 HG2 LYS 19 HG1 LYS 19 27.979 27.041 43.617
132 HG3 LYS 19 HG2 LYS 19 27.419 26.437 45.186
133 HD2 LYS 19 HD1 LYS 19 27.544 24.920 42.553
134 HD3 LYS 19 HD2 LYS 19 28.646 24.721 43.912
135 HE2 LYS 19 HE1 LYS 19 26.867 23.841 45.332
136 HE3 LYS 19 HE2 LYS 19 25.643 24.198 44.103
137 HZ1 LYS 19 HZ1 LYS 19 27.841 22.258 43.750
138 HZ2 LYS 19 HZ2 LYS 19 26.282 21.878 44.092
139 HZ3 LYS 19 HZ3 LYS 19 26.632 22.590 42.658
140 H ASN 20 HN ASN 20 27.260 30.189 44.335
141 HA ASN 20 HA ASN 20 27.428 31.357 41.703
142 HB2 ASN 20 HB1 ASN 20 29.262 31.464 44.142
143 HB3 ASN 20 HB2 ASN 20 29.552 32.386 42.668
144 HD21 ASN 20 2HD2 ASN 20 28.218 34.215 42.159
145 HD22 ASN 20 1HD2 ASN 20 27.232 34.898 43.447
146 H LEU 21 HN LEU 21 29.260 28.744 43.286
147 HA LEU 21 HA LEU 21 31.539 28.983 41.704
148 HB2 LEU 21 HB1 LEU 21 31.079 27.790 43.964
149 HB3 LEU 21 HB2 LEU 21 30.720 26.371 43.004
150 HG LEU 21 HG LEU 21 32.975 26.413 43.918
151 HD11 LEU 21 1HD1 LEU 21 33.092 26.642 40.896
152 HD12 LEU 21 2HD1 LEU 21 34.291 25.900 41.951
153 HD13 LEU 21 3HD1 LEU 21 32.669 25.195 41.835
154 HD21 LEU 21 3HD2 LEU 21 33.255 28.902 43.939
155 HD22 LEU 21 1HD2 LEU 21 34.664 27.993 43.388
156 HD23 LEU 21 2HD2 LEU 21 33.647 28.828 42.206
157 HA PRO 22 HA PRO 22 29.729 27.294 37.984
158 HB2 PRO 22 HB1 PRO 22 31.665 27.864 36.159
159 HB3 PRO 22 HB2 PRO 22 30.682 29.140 36.923
160 HG2 PRO 22 HG1 PRO 22 33.462 28.198 37.727
161 HG3 PRO 22 HG2 PRO 22 32.883 29.880 37.517
162 HD2 PRO 22 HD1 PRO 22 33.003 28.633 39.988
163 HD3 PRO 22 HD2 PRO 22 31.763 29.852 39.576
164 H TYR 23 HN TYR 23 29.682 25.331 37.008
165 HA TYR 23 HA TYR 23 32.259 23.828 36.762
166 HB2 TYR 23 HB1 TYR 23 31.086 21.780 36.388
167 HB3 TYR 23 HB2 TYR 23 30.738 22.391 37.979
168 HD1 TYR 23 HD2 TYR 23 29.310 21.620 34.649
169 HD2 TYR 23 HD1 TYR 23 28.466 23.079 38.610
170 HE1 TYR 23 HE2 TYR 23 26.896 21.137 34.308
171 HE2 TYR 23 HE1 TYR 23 26.037 22.739 38.211
172 HH TYR 23 HH TYR 23 24.407 21.947 36.757
173 H TYR 24 HN TYR 24 33.006 23.568 34.688
174 HA TYR 24 HA TYR 24 31.449 24.959 32.613
175 HB2 TYR 24 HB1 TYR 24 34.232 23.837 32.440
176 HB3 TYR 24 HB2 TYR 24 33.455 24.908 31.290
177 HD1 TYR 24 HD1 TYR 24 32.299 27.049 32.843
178 HD2 TYR 24 HD2 TYR 24 35.984 24.931 33.527
179 HE1 TYR 24 HE1 TYR 24 33.193 29.018 34.069
180 HE2 TYR 24 HE2 TYR 24 36.897 26.910 34.731
181 HH TYR 24 HH TYR 24 34.991 29.890 35.250
182 H PHE 25 HN PHE 25 29.887 23.741 31.744
183 HA PHE 25 HA PHE 25 29.868 20.855 31.551
184 HB2 PHE 25 HB1 PHE 25 27.878 22.290 31.787
185 HB3 PHE 25 HB2 PHE 25 28.183 23.018 30.222
186 HD1 PHE 25 HD2 PHE 25 27.864 21.663 28.114
187 HD2 PHE 25 HD1 PHE 25 26.818 20.141 32.017
188 HE1 PHE 25 HE2 PHE 25 26.359 19.982 27.068
189 HE2 PHE 25 HE1 PHE 25 25.299 18.495 30.969
190 HZ PHE 25 HZ PHE 25 25.068 18.403 28.490
191 H ASN 26 HN ASN 26 30.688 19.542 29.990
192 HA ASN 26 HA ASN 26 31.889 20.760 27.594
193 HB2 ASN 26 HB1 ASN 26 33.172 19.194 28.908
194 HB3 ASN 26 HB2 ASN 26 31.977 17.933 28.666
195 HD21 ASN 26 2HD2 ASN 26 34.746 17.632 27.946
196 HD22 ASN 26 1HD2 ASN 26 34.824 17.518 26.219
197 HA PRO 27 HA PRO 27 28.023 19.677 25.394
198 HB2 PRO 27 HB1 PRO 27 28.544 20.895 23.016
199 HB3 PRO 27 HB2 PRO 27 28.227 21.828 24.497
200 HG2 PRO 27 HG1 PRO 27 30.932 21.064 23.330
201 HG3 PRO 27 HG2 PRO 27 30.375 22.697 23.797
202 HD2 PRO 27 HD1 PRO 27 31.824 21.143 25.486
203 HD3 PRO 27 HD2 PRO 27 30.511 22.189 26.105
204 H ALA 28 HN ALA 28 31.303 18.756 24.479
205 HA ALA 28 HA ALA 28 30.389 17.183 22.176
206 HB1 ALA 28 HB1 ALA 28 33.168 17.724 23.344
207 HB2 ALA 28 HB2 ALA 28 32.834 16.870 21.830
208 HB3 ALA 28 HB3 ALA 28 32.408 18.583 21.982
209 H THR 29 HN THR 29 31.833 16.697 25.392
210 HA THR 29 HA THR 29 31.128 13.779 25.358
211 HB THR 29 HB THR 29 33.319 15.096 27.025
212 HG1 THR 29 HG1 THR 29 34.742 14.040 25.601
213 HG21 THR 29 1HG2 THR 29 32.645 12.180 26.408
214 HG22 THR 29 2HG2 THR 29 34.079 12.731 27.302
215 HG23 THR 29 3HG2 THR 29 32.478 12.989 27.986
216 H ARG 30 HN ARG 30 29.884 13.093 27.081
217 HA ARG 30 HA ARG 30 28.658 14.912 28.949
218 HB2 ARG 30 HB1 ARG 30 28.851 11.892 28.789
219 HB3 ARG 30 HB2 ARG 30 28.022 12.725 30.115
220 HG2 ARG 30 HG1 ARG 30 26.469 13.804 28.586
221 HG3 ARG 30 HG2 ARG 30 27.366 13.217 27.181
222 HD2 ARG 30 HD1 ARG 30 25.382 11.871 27.472
223 HD3 ARG 30 HD2 ARG 30 26.818 10.889 27.758
224 HE ARG 30 HE ARG 30 25.946 11.910 30.275
225 HH11 ARG 30 1HH1 ARG 30 24.430 9.890 27.790
226 HH12 ARG 30 2HH1 ARG 30 23.911 8.701 28.954
227 HH21 ARG 30 1HH2 ARG 30 25.171 10.372 31.742
228 HH22 ARG 30 2HH2 ARG 30 24.027 9.181 31.161
229 H GLU 31 HN GLU 31 30.060 16.070 30.101
230 HA GLU 31 HA GLU 31 31.457 15.061 32.392
231 HB2 GLU 31 HB1 GLU 31 33.028 14.341 30.498
232 HB3 GLU 31 HB2 GLU 31 33.196 16.034 30.070
233 HG2 GLU 31 HG1 GLU 31 35.099 15.175 31.371
234 HG3 GLU 31 HG2 GLU 31 34.303 16.486 32.227
235 H SER 32 HN SER 32 32.489 16.878 33.602
236 HA SER 32 HA SER 32 32.052 19.548 32.391
237 HB2 SER 32 HB1 SER 32 31.132 20.537 34.371
238 HB3 SER 32 HB2 SER 32 30.064 19.305 33.694
239 HG SER 32 HG SER 32 31.206 17.898 35.391
240 H ARG 33 HN ARG 33 33.801 20.638 32.342
241 HA ARG 33 HA ARG 33 36.220 19.830 33.698
242 HB2 ARG 33 HB1 ARG 33 35.900 20.808 31.311
243 HB3 ARG 33 HB2 ARG 33 35.714 22.363 32.087
244 HG2 ARG 33 HG1 ARG 33 37.959 22.316 31.426
245 HG3 ARG 33 HG2 ARG 33 38.009 21.974 33.160
246 HD2 ARG 33 HD1 ARG 33 39.515 20.478 32.111
247 HD3 ARG 33 HD2 ARG 33 38.129 19.487 32.577
248 HE ARG 33 HE ARG 33 37.569 20.211 29.944
249 HH11 ARG 33 1HH1 ARG 33 40.370 18.608 31.444
250 HH12 ARG 33 2HH1 ARG 33 40.862 17.916 29.931
251 HH21 ARG 33 1HH2 ARG 33 38.150 19.102 28.128
252 HH22 ARG 33 2HH2 ARG 33 39.581 18.109 28.125
253 H TRP 34 HN TRP 34 36.962 20.542 35.563
254 HA TRP 34 HA TRP 34 35.261 22.173 37.258
255 HB2 TRP 34 HB1 TRP 34 37.893 21.016 38.183
256 HB3 TRP 34 HB2 TRP 34 36.349 21.086 39.008
257 HD1 TRP 34 HD1 TRP 34 34.919 18.914 38.902
258 HE1 TRP 34 HE1 TRP 34 35.042 16.672 37.670
259 HE3 TRP 34 HE3 TRP 34 39.044 19.805 36.003
260 HZ2 TRP 34 HZ2 TRP 34 36.422 15.644 35.289
261 HZ3 TRP 34 HZ3 TRP 34 39.737 18.178 34.276
262 HH2 TRP 34 HH2 TRP 34 38.399 16.116 33.886
263 H GLU 35 HN GLU 35 38.577 22.347 36.077
264 HA GLU 35 HA GLU 35 39.068 25.121 36.921
265 HB2 GLU 35 HB1 GLU 35 40.544 22.655 37.979
266 HB3 GLU 35 HB2 GLU 35 41.137 24.305 38.141
267 HG2 GLU 35 HG1 GLU 35 39.076 24.909 39.430
268 HG3 GLU 35 HG2 GLU 35 38.547 23.222 39.341
269 HA PRO 36 HA PRO 36 41.192 25.330 33.231
270 HB2 PRO 36 HB1 PRO 36 43.814 26.190 34.427
271 HB3 PRO 36 HB2 PRO 36 42.839 26.964 33.145
272 HG2 PRO 36 HG1 PRO 36 42.805 27.903 35.683
273 HG3 PRO 36 HG2 PRO 36 41.286 27.817 34.726
274 HD2 PRO 36 HD1 PRO 36 42.296 25.920 36.849
275 HD3 PRO 36 HD2 PRO 36 40.651 26.574 36.611
276 HA PRO 37 HA PRO 37 43.640 21.474 32.854
277 HB2 PRO 37 HB1 PRO 37 42.919 20.741 30.343
278 HB3 PRO 37 HB2 PRO 37 41.779 20.666 31.711
279 HG2 PRO 37 HG1 PRO 37 42.019 22.826 29.620
280 HG3 PRO 37 HG2 PRO 37 40.545 22.031 30.257
281 HD2 PRO 37 HD1 PRO 37 41.412 24.460 31.182
282 HD3 PRO 37 HD2 PRO 37 40.522 23.270 32.183
283 H ALA 38 HN ALA 38 45.413 20.661 31.642
284 HA ALA 38 HA ALA 38 47.346 22.450 30.607
285 HB1 ALA 38 HB1 ALA 38 48.497 20.341 29.976
286 HB2 ALA 38 HB2 ALA 38 47.804 20.236 31.602
287 HB3 ALA 38 HB3 ALA 38 46.994 19.437 30.232
288 H ASP 39 HN ASP 39 44.551 21.514 29.026
289 HA ASP 39 HA ASP 39 45.665 21.840 26.286
290 HB2 ASP 39 HB1 ASP 39 44.307 19.785 27.002
291 HB3 ASP 39 HB2 ASP 39 42.900 20.851 27.080
292 H THR 40 HN THR 40 44.628 23.894 28.499
293 HA THR 40 HA THR 40 42.768 25.535 26.908
294 HB THR 40 HB THR 40 42.849 24.828 29.446
295 HG1 THR 40 HG1 THR 40 41.919 27.142 28.259
296 HG21 THR 40 1HG2 THR 40 44.108 27.584 29.657
297 HG22 THR 40 2HG2 THR 40 43.640 26.474 30.959
298 HG23 THR 40 3HG2 THR 40 45.025 26.080 29.923
299 H ASP 41 HN ASP 41 43.413 28.169 27.258
300 HA ASP 41 HA ASP 41 45.874 28.286 25.524
301 HB2 ASP 41 HB1 ASP 41 43.573 29.085 24.767
302 HB3 ASP 41 HB2 ASP 41 43.709 30.365 25.978
303 H MET 42 HN MET 42 44.474 29.524 28.379
304 HA MET 42 HA MET 42 44.873 30.973 29.977
305 HB2 MET 42 HB1 MET 42 47.705 30.106 29.485
306 HB3 MET 42 HB2 MET 42 47.290 31.309 30.722
307 HG2 MET 42 HG1 MET 42 45.552 29.753 31.656
308 HG3 MET 42 HG2 MET 42 45.989 28.576 30.438
309 HE1 MET 42 HE1 MET 42 48.541 30.825 32.567
310 HE2 MET 42 HE2 MET 42 47.188 30.451 33.674
311 HE3 MET 42 HE3 MET 42 48.784 29.735 33.937
312 H GLU 43 HN GLU 43 46.687 32.044 27.040
313 HA GLU 43 HA GLU 43 46.992 34.709 28.022
314 HB2 GLU 43 HB1 GLU 43 48.120 33.641 25.968
315 HB3 GLU 43 HB2 GLU 43 46.638 33.994 25.103
316 HG2 GLU 43 HG1 GLU 43 48.127 35.792 24.654
317 HG3 GLU 43 HG2 GLU 43 46.907 36.437 25.747
318 H THR 44 HN THR 44 44.476 33.462 25.736
319 HA THR 44 HA THR 44 42.630 35.664 25.980
320 HB THR 44 HB THR 44 41.847 32.757 25.592
321 HG1 THR 44 HG1 THR 44 42.989 34.381 23.567
322 HG21 THR 44 1HG2 THR 44 40.910 35.341 24.247
323 HG22 THR 44 2HG2 THR 44 40.420 33.710 23.728
324 HG23 THR 44 3HG2 THR 44 39.970 34.294 25.325
325 H LEU 45 HN LEU 45 43.588 33.578 28.442
326 HA LEU 45 HA LEU 45 40.827 33.318 29.517
327 HB2 LEU 45 HB1 LEU 45 42.518 31.322 28.788
328 HB3 LEU 45 HB2 LEU 45 43.119 31.673 30.403
329 HG LEU 45 HG LEU 45 41.151 31.181 31.439
330 HD11 LEU 45 1HD1 LEU 45 39.640 30.153 29.109
331 HD12 LEU 45 2HD1 LEU 45 39.145 30.387 30.763
332 HD13 LEU 45 3HD1 LEU 45 39.385 31.801 29.740
333 HD21 LEU 45 3HD2 LEU 45 41.038 28.741 30.990
334 HD22 LEU 45 1HD2 LEU 45 41.990 29.029 29.516
335 HD23 LEU 45 2HD2 LEU 45 42.677 29.399 31.103
336 H LYS 46 HN LYS 46 44.119 34.454 30.358
337 HA LYS 46 HA LYS 46 43.506 34.984 33.138
338 HB2 LYS 46 HB1 LYS 46 45.575 35.839 31.121
339 HB3 LYS 46 HB2 LYS 46 45.281 36.934 32.454
340 HG2 LYS 46 HG1 LYS 46 47.129 35.561 32.995
341 HG3 LYS 46 HG2 LYS 46 45.828 35.204 34.102
342 HD2 LYS 46 HD1 LYS 46 46.574 33.480 31.721
343 HD3 LYS 46 HD2 LYS 46 47.240 33.270 33.320
344 HE2 LYS 46 HE1 LYS 46 44.282 32.942 32.653
345 HE3 LYS 46 HE2 LYS 46 45.469 31.646 32.829
346 HZ1 LYS 46 HZ1 LYS 46 44.480 33.419 34.972
347 HZ2 LYS 46 HZ2 LYS 46 44.464 31.757 34.888
348 HZ3 LYS 46 HZ3 LYS 46 45.858 32.548 35.128
349 H MET 47 HN MET 47 43.018 36.870 30.176
350 HA MET 47 HA MET 47 41.611 39.097 31.325
351 HB2 MET 47 HB1 MET 47 40.892 39.504 28.999
352 HB3 MET 47 HB2 MET 47 42.624 39.183 29.102
353 HG2 MET 47 HG1 MET 47 42.354 36.949 28.272
354 HG3 MET 47 HG2 MET 47 40.590 37.083 28.297
355 HE1 MET 47 HE1 MET 47 39.596 38.806 25.195
356 HE2 MET 47 HE2 MET 47 39.326 37.423 26.277
357 HE3 MET 47 HE3 MET 47 39.355 39.078 26.930
358 H TYR 48 HN TYR 48 40.591 35.875 31.288
359 HA TYR 48 HA TYR 48 37.682 36.614 31.428
360 HB2 TYR 48 HB1 TYR 48 38.073 34.973 29.752
361 HB3 TYR 48 HB2 TYR 48 39.206 34.084 30.720
362 HD1 TYR 48 HD2 TYR 48 35.563 34.970 30.620
363 HD2 TYR 48 HD1 TYR 48 38.608 32.266 32.003
364 HE1 TYR 48 HE2 TYR 48 33.812 33.331 31.277
365 HE2 TYR 48 HE1 TYR 48 36.883 30.606 32.611
366 HH TYR 48 HH TYR 48 34.651 30.113 32.626
367 H MET 49 HN MET 49 40.171 34.566 32.924
368 HA MET 49 HA MET 49 38.758 33.771 35.259
369 HB2 MET 49 HB1 MET 49 41.672 33.842 34.375
370 HB3 MET 49 HB2 MET 49 41.209 33.319 36.006
371 HG2 MET 49 HG1 MET 49 39.743 31.576 34.943
372 HG3 MET 49 HG2 MET 49 40.327 32.111 33.355
373 HE1 MET 49 HE1 MET 49 42.287 31.619 36.826
374 HE2 MET 49 HE2 MET 49 41.068 30.335 36.681
375 HE3 MET 49 HE3 MET 49 42.798 29.948 36.597
376 H ALA 50 HN ALA 50 40.930 36.604 34.730
377 HA ALA 50 HA ALA 50 39.969 37.757 37.309
378 HB1 ALA 50 HB1 ALA 50 41.757 38.899 35.116
379 HB2 ALA 50 HB2 ALA 50 41.345 39.681 36.661
380 HB3 ALA 50 HB3 ALA 50 42.305 38.193 36.651
381 H THR 51 HN THR 51 37.782 37.718 36.963
382 HA THR 51 HA THR 51 36.611 38.382 34.384
383 HB THR 51 HB THR 51 35.901 36.426 35.688
384 HG1 THR 51 HG1 THR 51 34.185 38.511 34.998
385 HG21 THR 51 1HG2 THR 51 34.612 38.421 37.603
386 HG22 THR 51 2HG2 THR 51 34.400 36.659 37.578
387 HG23 THR 51 3HG2 THR 51 35.976 37.345 37.992
388 H TYR 52 HN TYR 52 37.283 40.332 37.106
389 HA TYR 52 HA TYR 52 35.042 42.165 36.556
390 HB2 TYR 52 HB1 TYR 52 36.077 41.635 38.858
391 HB3 TYR 52 HB2 TYR 52 37.363 42.743 38.395
392 HD1 TYR 52 HD1 TYR 52 33.667 42.389 38.765
393 HD2 TYR 52 HD2 TYR 52 36.974 45.138 38.557
394 HE1 TYR 52 HE1 TYR 52 32.161 44.231 39.489
395 HE2 TYR 52 HE2 TYR 52 35.482 46.979 39.345
396 HH TYR 52 HH TYR 52 31.998 46.442 40.016
397 H HIS 53 HN HIS 53 35.053 43.790 35.235
398 HA HIS 53 HA HIS 53 37.547 44.916 34.056
399 HB2 HIS 53 HB1 HIS 53 35.088 44.163 32.423
400 HB3 HIS 53 HB2 HIS 53 36.678 44.605 31.822
401 HD1 HIS 53 HD1 HIS 53 34.638 41.709 31.807
402 HD2 HIS 53 HD2 HIS 53 38.590 42.528 33.082
403 HE1 HIS 53 HE1 HIS 53 35.861 39.465 31.952
Start of MODEL 20
1 H SER 1 H SER 1 27.459 43.787 24.325
2 HA SER 1 HA SER 1 28.388 42.051 22.906
3 HB2 SER 1 HB1 SER 1 30.372 43.275 24.831
4 HB3 SER 1 HB2 SER 1 30.630 42.797 23.133
5 HG SER 1 HG SER 1 30.051 44.803 22.763
6 H MET 2 HN MET 2 29.950 40.260 22.827
7 HA MET 2 HA MET 2 29.074 38.247 24.834
8 HB2 MET 2 HB1 MET 2 30.272 37.973 22.048
9 HB3 MET 2 HB2 MET 2 29.742 36.636 23.063
10 HG2 MET 2 HG1 MET 2 27.430 37.555 23.070
11 HG3 MET 2 HG2 MET 2 27.956 38.889 22.055
12 HE1 MET 2 HE1 MET 2 27.313 35.121 22.381
13 HE2 MET 2 HE2 MET 2 27.542 34.483 20.743
14 HE3 MET 2 HE3 MET 2 28.947 34.978 21.706
15 H VAL 3 HN VAL 3 30.456 36.603 25.600
16 HA VAL 3 HA VAL 3 33.281 37.455 26.095
17 HB VAL 3 HB VAL 3 33.497 35.682 27.676
18 HG11 VAL 3 1HG1 VAL 3 30.978 37.293 28.167
19 HG12 VAL 3 2HG1 VAL 3 31.984 36.515 29.407
20 HG13 VAL 3 3HG1 VAL 3 32.647 37.840 28.432
21 HG21 VAL 3 3HG2 VAL 3 32.016 33.950 26.710
22 HG22 VAL 3 1HG2 VAL 3 31.678 34.250 28.418
23 HG23 VAL 3 2HG2 VAL 3 30.599 34.910 27.182
24 H ASN 4 HN ASN 4 34.976 35.841 25.971
25 HA ASN 4 HA ASN 4 34.420 33.460 24.409
26 HB2 ASN 4 HB1 ASN 4 35.464 35.441 22.902
27 HB3 ASN 4 HB2 ASN 4 36.967 34.849 23.597
28 HD21 ASN 4 2HD2 ASN 4 34.916 34.471 20.976
29 HD22 ASN 4 1HD2 ASN 4 35.307 32.793 20.580
30 H THR 5 HN THR 5 36.027 31.796 24.780
31 HA THR 5 HA THR 5 37.659 32.145 27.297
32 HB THR 5 HB THR 5 36.889 30.003 28.073
33 HG1 THR 5 HG1 THR 5 36.077 29.502 25.827
34 HG21 THR 5 1HG2 THR 5 34.594 31.974 27.627
35 HG22 THR 5 2HG2 THR 5 34.779 30.790 28.952
36 HG23 THR 5 3HG2 THR 5 35.920 32.142 28.783
37 H GLY 6 HN GLY 6 39.618 31.607 26.818
38 HA2 GLY 6 HA1 GLY 6 40.552 29.750 24.890
39 HA3 GLY 6 HA2 GLY 6 41.417 30.319 26.325
40 H LEU 7 HN LEU 7 38.464 28.861 27.185
41 HA LEU 7 HA LEU 7 39.707 26.643 28.487
42 HB2 LEU 7 HB1 LEU 7 36.868 27.565 28.063
43 HB3 LEU 7 HB2 LEU 7 37.156 25.971 28.731
44 HG LEU 7 HG LEU 7 38.340 28.489 29.962
45 HD11 LEU 7 1HD1 LEU 7 35.809 26.981 30.733
46 HD12 LEU 7 2HD1 LEU 7 36.523 28.343 31.621
47 HD13 LEU 7 3HD1 LEU 7 35.868 28.596 29.994
48 HD21 LEU 7 3HD2 LEU 7 37.997 25.652 31.044
49 HD22 LEU 7 1HD2 LEU 7 39.536 26.429 30.617
50 HD23 LEU 7 2HD2 LEU 7 38.591 27.045 31.972
51 HA PRO 8 HA PRO 8 39.452 23.747 25.042
52 HB2 PRO 8 HB1 PRO 8 39.665 21.344 26.181
53 HB3 PRO 8 HB2 PRO 8 40.893 22.592 26.474
54 HG2 PRO 8 HG1 PRO 8 38.518 21.917 28.246
55 HG3 PRO 8 HG2 PRO 8 40.259 21.998 28.668
56 HD2 PRO 8 HD1 PRO 8 38.505 24.117 28.998
57 HD3 PRO 8 HD2 PRO 8 40.248 24.319 28.698
58 H ALA 9 HN ALA 9 37.917 21.076 25.604
59 HA ALA 9 HA ALA 9 35.425 21.825 24.404
60 HB1 ALA 9 HB1 ALA 9 36.249 19.251 25.836
61 HB2 ALA 9 HB2 ALA 9 34.869 19.438 24.735
62 HB3 ALA 9 HB3 ALA 9 36.521 19.621 24.119
63 H GLY 10 HN GLY 10 36.294 21.689 27.763
64 HA2 GLY 10 HA1 GLY 10 33.477 21.776 28.738
65 HA3 GLY 10 HA2 GLY 10 34.937 21.578 29.741
66 H TRP 11 HN TRP 11 33.164 23.768 27.713
67 HA TRP 11 HA TRP 11 34.448 26.141 29.016
68 HB2 TRP 11 HB1 TRP 11 34.737 27.122 26.913
69 HB3 TRP 11 HB2 TRP 11 35.372 25.502 26.819
70 HD1 TRP 11 HD1 TRP 11 32.178 24.369 26.156
71 HE1 TRP 11 HE1 TRP 11 31.332 24.670 23.770
72 HE3 TRP 11 HE3 TRP 11 35.604 27.807 24.527
73 HZ2 TRP 11 HZ2 TRP 11 32.135 26.101 21.393
74 HZ3 TRP 11 HZ3 TRP 11 35.560 28.596 22.172
75 HH2 TRP 11 HH2 TRP 11 33.837 27.746 20.600
76 H GLU 12 HN GLU 12 31.294 24.910 28.341
77 HA GLU 12 HA GLU 12 30.188 27.593 27.781
78 HB2 GLU 12 HB1 GLU 12 29.662 25.226 26.684
79 HB3 GLU 12 HB2 GLU 12 28.489 25.100 27.979
80 HG2 GLU 12 HG1 GLU 12 28.673 27.536 26.141
81 HG3 GLU 12 HG2 GLU 12 27.831 26.082 25.653
82 H VAL 13 HN VAL 13 29.362 28.923 29.404
83 HA VAL 13 HA VAL 13 29.827 27.930 32.085
84 HB VAL 13 HB VAL 13 28.592 30.605 31.348
85 HG11 VAL 13 1HG1 VAL 13 30.184 29.734 33.790
86 HG12 VAL 13 2HG1 VAL 13 29.515 31.351 33.507
87 HG13 VAL 13 3HG1 VAL 13 28.421 29.990 33.776
88 HG21 VAL 13 3HG2 VAL 13 30.892 31.522 31.513
89 HG22 VAL 13 1HG2 VAL 13 31.531 29.877 31.702
90 HG23 VAL 13 2HG2 VAL 13 30.778 30.368 30.183
91 H ARG 14 HN ARG 14 28.487 26.942 33.379
92 HA ARG 14 HA ARG 14 25.576 27.559 33.317
93 HB2 ARG 14 HB1 ARG 14 26.969 24.867 33.531
94 HB3 ARG 14 HB2 ARG 14 25.253 25.088 33.893
95 HG2 ARG 14 HG1 ARG 14 26.521 25.688 31.186
96 HG3 ARG 14 HG2 ARG 14 25.779 24.150 31.602
97 HD2 ARG 14 HD1 ARG 14 23.641 24.944 31.547
98 HD3 ARG 14 HD2 ARG 14 24.097 26.572 32.069
99 HE ARG 14 HE ARG 14 25.215 26.140 29.483
100 HH11 ARG 14 1HH1 ARG 14 21.900 26.638 30.803
101 HH12 ARG 14 2HH1 ARG 14 21.475 27.519 29.350
102 HH21 ARG 14 1HH2 ARG 14 24.463 27.106 27.743
103 HH22 ARG 14 2HH2 ARG 14 22.790 27.692 27.663
104 H HIS 15 HN HIS 15 24.503 27.288 35.318
105 HA HIS 15 HA HIS 15 26.176 27.251 37.777
106 HB2 HIS 15 HB1 HIS 15 25.427 29.433 38.474
107 HB3 HIS 15 HB2 HIS 15 26.166 29.577 36.888
108 HD1 HIS 15 HD1 HIS 15 24.557 30.472 34.891
109 HD2 HIS 15 HD2 HIS 15 22.717 29.672 38.638
110 HE1 HIS 15 HE1 HIS 15 22.167 31.375 34.780
111 H SER 16 HN SER 16 24.798 27.519 39.792
112 HA SER 16 HA SER 16 22.003 26.623 39.703
113 HB2 SER 16 HB1 SER 16 23.072 24.503 39.237
114 HB3 SER 16 HB2 SER 16 24.247 24.745 40.538
115 HG SER 16 HG SER 16 22.308 23.335 40.892
116 H ASN 17 HN ASN 17 20.977 26.761 41.737
117 HA ASN 17 HA ASN 17 22.223 28.407 43.783
118 HB2 ASN 17 HB1 ASN 17 19.670 26.754 43.871
119 HB3 ASN 17 HB2 ASN 17 20.153 27.976 45.051
120 HD21 ASN 17 2HD2 ASN 17 20.676 30.278 43.935
121 HD22 ASN 17 1HD2 ASN 17 19.515 30.724 42.702
122 H SER 18 HN SER 18 22.225 24.992 43.123
123 HA SER 18 HA SER 18 23.013 24.205 45.859
124 HB2 SER 18 HB1 SER 18 22.831 22.556 43.320
125 HB3 SER 18 HB2 SER 18 22.997 21.952 44.978
126 HG SER 18 HG SER 18 20.825 21.887 44.258
127 H LYS 19 HN LYS 19 24.751 25.882 43.689
128 HA LYS 19 HA LYS 19 27.310 24.719 44.591
129 HB2 LYS 19 HB1 LYS 19 26.587 23.668 42.347
130 HB3 LYS 19 HB2 LYS 19 26.718 25.273 41.652
131 HG2 LYS 19 HG1 LYS 19 28.722 24.244 41.094
132 HG3 LYS 19 HG2 LYS 19 29.177 25.251 42.476
133 HD2 LYS 19 HD1 LYS 19 28.942 23.201 43.941
134 HD3 LYS 19 HD2 LYS 19 28.601 22.246 42.510
135 HE2 LYS 19 HE1 LYS 19 31.188 23.773 43.086
136 HE3 LYS 19 HE2 LYS 19 30.949 22.039 43.272
137 HZ1 LYS 19 HZ1 LYS 19 30.448 21.979 40.840
138 HZ2 LYS 19 HZ2 LYS 19 30.926 23.550 40.736
139 HZ3 LYS 19 HZ3 LYS 19 32.007 22.415 41.206
140 H ASN 20 HN ASN 20 28.620 26.340 45.276
141 HA ASN 20 HA ASN 20 27.686 29.003 45.393
142 HB2 ASN 20 HB1 ASN 20 30.374 27.733 46.055
143 HB3 ASN 20 HB2 ASN 20 30.015 29.416 46.396
144 HD21 ASN 20 2HD2 ASN 20 29.308 26.103 47.336
145 HD22 ASN 20 1HD2 ASN 20 28.415 26.507 48.785
146 H LEU 21 HN LEU 21 29.242 27.717 42.705
147 HA LEU 21 HA LEU 21 29.847 30.278 41.485
148 HB2 LEU 21 HB1 LEU 21 32.173 30.119 41.353
149 HB3 LEU 21 HB2 LEU 21 31.841 29.692 42.998
150 HG LEU 21 HG LEU 21 32.504 27.724 40.766
151 HD11 LEU 21 1HD1 LEU 21 34.136 28.669 43.169
152 HD12 LEU 21 2HD1 LEU 21 34.650 27.488 41.945
153 HD13 LEU 21 3HD1 LEU 21 34.397 29.179 41.491
154 HD21 LEU 21 3HD2 LEU 21 32.109 27.236 43.756
155 HD22 LEU 21 1HD2 LEU 21 31.111 26.582 42.440
156 HD23 LEU 21 2HD2 LEU 21 32.784 26.061 42.607
157 HA PRO 22 HA PRO 22 28.756 27.953 37.951
158 HB2 PRO 22 HB1 PRO 22 30.064 29.008 35.823
159 HB3 PRO 22 HB2 PRO 22 28.912 29.967 36.795
160 HG2 PRO 22 HG1 PRO 22 31.936 29.904 37.017
161 HG3 PRO 22 HG2 PRO 22 30.859 31.336 36.973
162 HD2 PRO 22 HD1 PRO 22 31.835 30.227 39.304
163 HD3 PRO 22 HD2 PRO 22 30.246 31.052 39.225
164 H TYR 23 HN TYR 23 29.271 26.413 36.322
165 HA TYR 23 HA TYR 23 31.992 25.194 36.359
166 HB2 TYR 23 HB1 TYR 23 30.971 22.977 36.144
167 HB3 TYR 23 HB2 TYR 23 30.574 23.724 37.677
168 HD1 TYR 23 HD2 TYR 23 28.273 24.474 38.180
169 HD2 TYR 23 HD1 TYR 23 29.233 22.555 34.444
170 HE1 TYR 23 HE2 TYR 23 25.842 24.106 37.738
171 HE2 TYR 23 HE1 TYR 23 26.811 22.204 33.993
172 HH TYR 23 HH TYR 23 24.680 22.504 34.760
173 H TYR 24 HN TYR 24 32.762 24.538 34.368
174 HA TYR 24 HA TYR 24 31.309 25.754 32.082
175 HB2 TYR 24 HB1 TYR 24 34.143 24.727 32.140
176 HB3 TYR 24 HB2 TYR 24 33.414 25.883 31.031
177 HD1 TYR 24 HD2 TYR 24 32.139 27.900 32.587
178 HD2 TYR 24 HD1 TYR 24 35.719 25.706 33.544
179 HE1 TYR 24 HE2 TYR 24 32.790 29.679 34.202
180 HE2 TYR 24 HE1 TYR 24 36.383 27.480 35.142
181 HH TYR 24 HH TYR 24 35.678 29.311 36.283
182 H PHE 25 HN PHE 25 29.870 24.416 31.230
183 HA PHE 25 HA PHE 25 29.911 21.575 31.354
184 HB2 PHE 25 HB1 PHE 25 27.903 22.942 31.320
185 HB3 PHE 25 HB2 PHE 25 28.272 23.536 29.719
186 HD1 PHE 25 HD2 PHE 25 27.307 20.525 31.674
187 HD2 PHE 25 HD1 PHE 25 27.669 22.243 27.725
188 HE1 PHE 25 HE2 PHE 25 26.010 18.639 30.719
189 HE2 PHE 25 HE1 PHE 25 26.249 20.437 26.818
190 HZ PHE 25 HZ PHE 25 25.480 18.593 28.290
191 H ASN 26 HN ASN 26 30.468 19.993 29.983
192 HA ASN 26 HA ASN 26 31.773 20.676 27.403
193 HB2 ASN 26 HB1 ASN 26 33.072 19.276 28.973
194 HB3 ASN 26 HB2 ASN 26 31.782 18.075 28.981
195 HD21 ASN 26 2HD2 ASN 26 34.494 17.420 28.203
196 HD22 ASN 26 1HD2 ASN 26 34.435 17.071 26.493
197 HA PRO 27 HA PRO 27 27.764 19.199 25.845
198 HB2 PRO 27 HB1 PRO 27 28.042 19.821 23.202
199 HB3 PRO 27 HB2 PRO 27 27.747 21.033 24.481
200 HG2 PRO 27 HG1 PRO 27 30.399 20.262 23.226
201 HG3 PRO 27 HG2 PRO 27 29.738 21.905 23.490
202 HD2 PRO 27 HD1 PRO 27 31.492 20.730 25.229
203 HD3 PRO 27 HD2 PRO 27 30.199 21.824 25.796
204 H ALA 28 HN ALA 28 30.923 18.259 24.396
205 HA ALA 28 HA ALA 28 29.695 16.115 22.837
206 HB1 ALA 28 HB1 ALA 28 31.965 15.905 21.920
207 HB2 ALA 28 HB2 ALA 28 31.468 17.604 21.942
208 HB3 ALA 28 HB3 ALA 28 32.600 16.993 23.172
209 H THR 29 HN THR 29 30.979 16.310 25.984
210 HA THR 29 HA THR 29 30.846 13.346 26.316
211 HB THR 29 HB THR 29 32.918 15.114 27.677
212 HG1 THR 29 HG1 THR 29 34.394 14.078 26.349
213 HG21 THR 29 1HG2 THR 29 32.321 13.129 29.005
214 HG22 THR 29 2HG2 THR 29 32.525 12.090 27.577
215 HG23 THR 29 3HG2 THR 29 33.924 12.917 28.301
216 H ARG 30 HN ARG 30 29.660 12.769 28.186
217 HA ARG 30 HA ARG 30 28.252 14.805 29.713
218 HB2 ARG 30 HB1 ARG 30 28.630 11.811 30.019
219 HB3 ARG 30 HB2 ARG 30 27.825 12.754 31.264
220 HG2 ARG 30 HG1 ARG 30 26.899 12.714 28.364
221 HG3 ARG 30 HG2 ARG 30 26.305 11.632 29.630
222 HD2 ARG 30 HD1 ARG 30 25.681 13.719 30.967
223 HD3 ARG 30 HD2 ARG 30 25.985 14.652 29.484
224 HE ARG 30 HE ARG 30 24.293 12.516 28.787
225 HH11 ARG 30 1HH1 ARG 30 23.965 15.436 30.801
226 HH12 ARG 30 2HH1 ARG 30 22.236 15.481 30.509
227 HH21 ARG 30 1HH2 ARG 30 22.148 12.666 28.510
228 HH22 ARG 30 2HH2 ARG 30 21.199 13.896 29.333
229 H GLU 31 HN GLU 31 29.828 16.210 30.431
230 HA GLU 31 HA GLU 31 31.100 15.688 32.966
231 HB2 GLU 31 HB1 GLU 31 32.581 14.674 30.890
232 HB3 GLU 31 HB2 GLU 31 33.094 16.342 30.818
233 HG2 GLU 31 HG1 GLU 31 34.654 15.213 32.153
234 HG3 GLU 31 HG2 GLU 31 33.705 16.141 33.303
235 H SER 32 HN SER 32 32.725 17.685 33.360
236 HA SER 32 HA SER 32 32.306 20.085 31.868
237 HB2 SER 32 HB1 SER 32 31.363 21.440 33.752
238 HB3 SER 32 HB2 SER 32 30.229 20.307 33.014
239 HG SER 32 HG SER 32 29.994 19.320 34.783
240 H ARG 33 HN ARG 33 33.437 21.968 33.155
241 HA ARG 33 HA ARG 33 35.935 20.843 34.332
242 HB2 ARG 33 HB1 ARG 33 35.918 21.551 31.834
243 HB3 ARG 33 HB2 ARG 33 35.777 23.200 32.429
244 HG2 ARG 33 HG1 ARG 33 38.085 22.795 31.984
245 HG3 ARG 33 HG2 ARG 33 37.886 22.847 33.734
246 HD2 ARG 33 HD1 ARG 33 39.409 21.108 33.181
247 HD3 ARG 33 HD2 ARG 33 37.949 20.343 33.802
248 HE ARG 33 HE ARG 33 39.030 20.312 31.036
249 HH11 ARG 33 1HH1 ARG 33 36.403 18.903 33.120
250 HH12 ARG 33 2HH1 ARG 33 36.442 17.509 32.078
251 HH21 ARG 33 1HH2 ARG 33 38.660 18.667 29.781
252 HH22 ARG 33 2HH2 ARG 33 37.348 17.540 30.100
253 H TRP 34 HN TRP 34 36.798 21.821 35.975
254 HA TRP 34 HA TRP 34 35.087 23.652 37.495
255 HB2 TRP 34 HB1 TRP 34 37.468 22.203 38.633
256 HB3 TRP 34 HB2 TRP 34 35.894 22.496 39.344
257 HD1 TRP 34 HD1 TRP 34 34.004 20.669 38.858
258 HE1 TRP 34 HE1 TRP 34 34.009 18.318 37.848
259 HE3 TRP 34 HE3 TRP 34 38.720 20.668 36.846
260 HZ2 TRP 34 HZ2 TRP 34 35.776 16.701 36.208
261 HZ3 TRP 34 HZ3 TRP 34 39.521 18.726 35.533
262 HH2 TRP 34 HH2 TRP 34 38.052 16.744 35.193
263 H GLU 35 HN GLU 35 38.355 23.559 36.235
264 HA GLU 35 HA GLU 35 38.991 26.326 37.036
265 HB2 GLU 35 HB1 GLU 35 40.737 23.859 37.517
266 HB3 GLU 35 HB2 GLU 35 41.344 25.510 37.561
267 HG2 GLU 35 HG1 GLU 35 39.968 26.039 39.497
268 HG3 GLU 35 HG2 GLU 35 39.221 24.432 39.447
269 HA PRO 36 HA PRO 36 40.876 26.177 32.886
270 HB2 PRO 36 HB1 PRO 36 43.249 27.512 34.188
271 HB3 PRO 36 HB2 PRO 36 42.428 27.904 32.647
272 HG2 PRO 36 HG1 PRO 36 41.920 29.363 34.863
273 HG3 PRO 36 HG2 PRO 36 40.574 28.864 33.785
274 HD2 PRO 36 HD1 PRO 36 41.451 27.612 36.400
275 HD3 PRO 36 HD2 PRO 36 39.802 28.000 35.828
276 HA PRO 37 HA PRO 37 43.284 22.398 33.893
277 HB2 PRO 37 HB1 PRO 37 42.866 21.021 31.574
278 HB3 PRO 37 HB2 PRO 37 41.566 21.321 32.756
279 HG2 PRO 37 HG1 PRO 37 42.228 22.892 30.248
280 HG3 PRO 37 HG2 PRO 37 40.644 22.222 30.761
281 HD2 PRO 37 HD1 PRO 37 41.306 24.812 31.246
282 HD3 PRO 37 HD2 PRO 37 40.328 23.843 32.377
283 H ALA 38 HN ALA 38 44.922 21.005 32.168
284 HA ALA 38 HA ALA 38 47.104 22.876 31.648
285 HB1 ALA 38 HB1 ALA 38 46.855 19.882 31.124
286 HB2 ALA 38 HB2 ALA 38 48.352 20.839 31.220
287 HB3 ALA 38 HB3 ALA 38 47.354 20.611 32.666
288 H ASP 39 HN ASP 39 44.601 21.542 29.713
289 HA ASP 39 HA ASP 39 46.007 21.807 27.145
290 HB2 ASP 39 HB1 ASP 39 44.631 19.829 27.812
291 HB3 ASP 39 HB2 ASP 39 43.207 20.864 27.834
292 H THR 40 HN THR 40 44.742 24.093 28.962
293 HA THR 40 HA THR 40 42.960 25.447 27.025
294 HB THR 40 HB THR 40 42.396 24.974 29.418
295 HG1 THR 40 HG1 THR 40 41.800 26.953 27.975
296 HG21 THR 40 1HG2 THR 40 44.064 27.410 30.112
297 HG22 THR 40 2HG2 THR 40 43.337 26.211 31.197
298 HG23 THR 40 3HG2 THR 40 44.772 25.798 30.232
299 H ASP 41 HN ASP 41 43.138 27.940 26.904
300 HA ASP 41 HA ASP 41 45.695 28.071 25.441
301 HB2 ASP 41 HB1 ASP 41 43.413 28.486 24.441
302 HB3 ASP 41 HB2 ASP 41 43.269 29.905 25.471
303 H MET 42 HN MET 42 44.100 29.690 27.999
304 HA MET 42 HA MET 42 44.416 31.344 29.440
305 HB2 MET 42 HB1 MET 42 47.311 30.536 29.215
306 HB3 MET 42 HB2 MET 42 46.597 31.547 30.489
307 HG2 MET 42 HG1 MET 42 44.827 29.604 30.701
308 HG3 MET 42 HG2 MET 42 46.045 28.642 29.849
309 HE1 MET 42 HE1 MET 42 46.424 26.844 31.615
310 HE2 MET 42 HE2 MET 42 46.523 27.157 33.354
311 HE3 MET 42 HE3 MET 42 45.022 27.521 32.485
312 H GLU 43 HN GLU 43 46.516 31.985 26.654
313 HA GLU 43 HA GLU 43 46.606 34.816 26.926
314 HB2 GLU 43 HB1 GLU 43 47.775 33.154 25.231
315 HB3 GLU 43 HB2 GLU 43 46.331 33.409 24.256
316 HG2 GLU 43 HG1 GLU 43 47.867 34.994 23.455
317 HG3 GLU 43 HG2 GLU 43 46.831 35.955 24.511
318 H THR 44 HN THR 44 44.041 32.685 25.710
319 HA THR 44 HA THR 44 42.170 35.014 25.501
320 HB THR 44 HB THR 44 41.468 32.156 24.751
321 HG1 THR 44 HG1 THR 44 43.316 32.607 23.587
322 HG21 THR 44 1HG2 THR 44 39.968 33.289 23.136
323 HG22 THR 44 2HG2 THR 44 39.612 33.882 24.754
324 HG23 THR 44 3HG2 THR 44 40.574 34.875 23.655
325 H LEU 45 HN LEU 45 43.169 33.931 28.159
326 HA LEU 45 HA LEU 45 40.398 33.733 29.218
327 HB2 LEU 45 HB1 LEU 45 42.692 32.035 30.208
328 HB3 LEU 45 HB2 LEU 45 41.275 32.331 31.159
329 HG LEU 45 HG LEU 45 41.218 31.031 28.451
330 HD11 LEU 45 1HD1 LEU 45 41.148 29.847 31.250
331 HD12 LEU 45 2HD1 LEU 45 40.790 28.949 29.770
332 HD13 LEU 45 3HD1 LEU 45 42.409 29.631 30.017
333 HD21 LEU 45 3HD2 LEU 45 38.997 30.344 28.829
334 HD22 LEU 45 1HD2 LEU 45 39.024 30.842 30.502
335 HD23 LEU 45 2HD2 LEU 45 38.994 32.068 29.177
336 H LYS 46 HN LYS 46 43.572 35.291 29.642
337 HA LYS 46 HA LYS 46 42.807 35.908 32.333
338 HB2 LYS 46 HB1 LYS 46 44.923 36.970 30.436
339 HB3 LYS 46 HB2 LYS 46 44.478 37.999 31.782
340 HG2 LYS 46 HG1 LYS 46 46.405 36.775 32.384
341 HG3 LYS 46 HG2 LYS 46 45.075 36.273 33.412
342 HD2 LYS 46 HD1 LYS 46 45.798 34.675 30.938
343 HD3 LYS 46 HD2 LYS 46 46.795 34.539 32.368
344 HE2 LYS 46 HE1 LYS 46 43.792 33.959 32.370
345 HE3 LYS 46 HE2 LYS 46 45.031 32.750 32.154
346 HZ1 LYS 46 HZ1 LYS 46 44.812 34.464 34.593
347 HZ2 LYS 46 HZ2 LYS 46 44.416 32.881 34.484
348 HZ3 LYS 46 HZ3 LYS 46 45.971 33.358 34.342
349 H MET 47 HN MET 47 42.081 37.320 29.251
350 HA MET 47 HA MET 47 40.514 39.602 29.884
351 HB2 MET 47 HB1 MET 47 39.483 39.157 27.709
352 HB3 MET 47 HB2 MET 47 41.225 38.899 27.612
353 HG2 MET 47 HG1 MET 47 40.908 36.469 27.738
354 HG3 MET 47 HG2 MET 47 39.160 36.671 27.870
355 HE1 MET 47 HE1 MET 47 37.576 36.852 26.010
356 HE2 MET 47 HE2 MET 47 38.068 38.561 25.951
357 HE3 MET 47 HE3 MET 47 37.935 37.626 24.450
358 H TYR 48 HN TYR 48 39.880 36.385 30.818
359 HA TYR 48 HA TYR 48 36.911 36.757 30.949
360 HB2 TYR 48 HB1 TYR 48 37.483 35.294 29.097
361 HB3 TYR 48 HB2 TYR 48 38.643 34.391 30.055
362 HD1 TYR 48 HD2 TYR 48 34.942 35.219 30.022
363 HD2 TYR 48 HD1 TYR 48 38.095 32.528 31.136
364 HE1 TYR 48 HE2 TYR 48 33.252 33.578 30.847
365 HE2 TYR 48 HE1 TYR 48 36.432 30.848 31.888
366 HH TYR 48 HH TYR 48 34.197 30.439 32.300
367 H MET 49 HN MET 49 39.505 34.673 32.291
368 HA MET 49 HA MET 49 38.030 33.693 34.517
369 HB2 MET 49 HB1 MET 49 40.957 33.697 33.677
370 HB3 MET 49 HB2 MET 49 40.480 33.039 35.238
371 HG2 MET 49 HG1 MET 49 39.627 32.097 32.495
372 HG3 MET 49 HG2 MET 49 40.692 31.294 33.613
373 HE1 MET 49 HE1 MET 49 39.899 30.533 36.049
374 HE2 MET 49 HE2 MET 49 38.777 31.860 36.411
375 HE3 MET 49 HE3 MET 49 38.212 30.182 36.477
376 H ALA 50 HN ALA 50 39.422 36.799 34.255
377 HA ALA 50 HA ALA 50 38.647 37.305 37.036
378 HB1 ALA 50 HB1 ALA 50 41.435 38.026 36.002
379 HB2 ALA 50 HB2 ALA 50 40.728 38.571 37.539
380 HB3 ALA 50 HB3 ALA 50 41.057 36.847 37.277
381 H THR 51 HN THR 51 37.121 38.762 36.719
382 HA THR 51 HA THR 51 36.673 39.978 34.220
383 HB THR 51 HB THR 51 35.312 40.568 36.881
384 HG1 THR 51 HG1 THR 51 34.769 38.576 36.678
385 HG21 THR 51 1HG2 THR 51 34.322 40.817 34.003
386 HG22 THR 51 2HG2 THR 51 33.324 40.988 35.462
387 HG23 THR 51 3HG2 THR 51 34.601 42.162 35.136
388 H TYR 52 HN TYR 52 37.568 41.630 37.300
389 HA TYR 52 HA TYR 52 37.411 44.219 35.853
390 HB2 TYR 52 HB1 TYR 52 36.143 43.659 37.970
391 HB3 TYR 52 HB2 TYR 52 37.680 43.651 38.822
392 HD1 TYR 52 HD1 TYR 52 35.401 45.783 36.740
393 HD2 TYR 52 HD2 TYR 52 38.584 45.704 39.644
394 HE1 TYR 52 HE1 TYR 52 35.102 48.225 37.123
395 HE2 TYR 52 HE2 TYR 52 38.250 48.140 40.062
396 HH TYR 52 HH TYR 52 35.807 50.088 38.327
397 H HIS 53 HN HIS 53 39.821 42.082 36.901
398 HA HIS 53 HA HIS 53 42.032 43.915 37.384
399 HB2 HIS 53 HB1 HIS 53 41.935 41.615 38.297
400 HB3 HIS 53 HB2 HIS 53 41.915 40.949 36.671
401 HD1 HIS 53 HD1 HIS 53 44.297 41.036 35.283
402 HD2 HIS 53 HD2 HIS 53 44.278 42.163 39.362
403 HE1 HIS 53 HE1 HIS 53 46.707 40.840 36.119