Mercurial > repos > spanish_national_institue_of_bioinformatics > biobb

comparison test-data/biobb_solvate_input.gro @ 2:4c626e984fde draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author spanish_national_institue_of_bioinformatics
date Fri, 12 Apr 2019 07:18:48 -0400
parents
children
comparison
equal deleted inserted replaced
1:21a0f28aea68 2:4c626e984fde
1 Created with pdb2gmx building block
2 1196
3 1SER N 1 2.270 1.214 5.506
4 1SER H1 2 2.288 1.242 5.411
5 1SER H2 3 2.354 1.220 5.559
6 1SER H3 4 2.237 1.120 5.507
7 1SER CA 5 2.167 1.304 5.566
8 1SER HA 6 2.083 1.294 5.512
9 1SER CB 7 2.138 1.263 5.710
10 1SER HB1 8 2.222 1.264 5.765
11 1SER HB2 9 2.097 1.172 5.713
12 1SER OG 10 2.046 1.352 5.771
13 1SER HG 11 2.029 1.323 5.865
14 1SER C 12 2.215 1.448 5.559
15 1SER O 13 2.326 1.480 5.601
16 2GLU N 14 2.130 1.536 5.505
17 2GLU H 15 2.041 1.504 5.472
18 2GLU CA 16 2.165 1.677 5.493
19 2GLU HA 17 2.205 1.702 5.581
20 2GLU CB 18 2.267 1.697 5.381
21 2GLU HB1 19 2.224 1.670 5.294
22 2GLU HB2 20 2.346 1.639 5.399
23 2GLU CG 21 2.315 1.841 5.367
24 2GLU HG1 22 2.354 1.870 5.454
25 2GLU HG2 23 2.237 1.899 5.343
26 2GLU CD 24 2.421 1.856 5.259
27 2GLU OE1 25 2.456 1.755 5.196
28 2GLU OE2 26 2.469 1.970 5.239
29 2GLU C 27 2.040 1.761 5.467
30 2GLU O 28 1.946 1.716 5.400
31 3ALA N 29 2.039 1.882 5.522
32 3ALA H 30 2.118 1.912 5.575
33 3ALA CA 31 1.926 1.971 5.505
34 3ALA HA 32 1.846 1.920 5.536
35 3ALA CB 33 1.944 2.096 5.591
36 3ALA HB1 34 1.865 2.157 5.578
37 3ALA HB2 35 1.951 2.070 5.687
38 3ALA HB3 36 2.027 2.144 5.563
39 3ALA C 37 1.909 2.009 5.359
40 3ALA O 38 1.988 2.085 5.303
41 4GLU N 39 1.805 1.955 5.299
42 4GLU H 40 1.745 1.894 5.351
43 4GLU CA 41 1.775 1.982 5.159
44 4GLU HA 42 1.859 1.961 5.108
45 4GLU CB 43 1.662 1.890 5.110
46 4GLU HB1 44 1.635 1.920 5.018
47 4GLU HB2 45 1.584 1.900 5.172
48 4GLU CG 46 1.700 1.743 5.102
49 4GLU HG1 47 1.727 1.713 5.194
50 4GLU HG2 48 1.777 1.733 5.040
51 4GLU CD 49 1.586 1.656 5.054
52 4GLU OE1 50 1.475 1.710 5.031
53 4GLU OE2 51 1.607 1.534 5.038
54 4GLU C 52 1.737 2.128 5.139
55 4GLU O 53 1.740 2.180 5.028
56 5ASP N 54 1.702 2.195 5.249
57 5ASP H 55 1.702 2.148 5.337
58 5ASP CA 56 1.664 2.336 5.242
59 5ASP HA 57 1.589 2.341 5.177
60 5ASP CB 58 1.618 2.385 5.380
61 5ASP HB1 59 1.612 2.485 5.378
62 5ASP HB2 60 1.686 2.358 5.448
63 5ASP CG 61 1.483 2.329 5.420
64 5ASP OD1 62 1.413 2.276 5.331
65 5ASP OD2 63 1.448 2.340 5.539
66 5ASP C 64 1.781 2.419 5.192
67 5ASP O 65 1.762 2.515 5.116
68 6ALA N 66 1.901 2.385 5.235
69 6ALA H 67 1.911 2.306 5.296
70 6ALA CA 68 2.019 2.460 5.196
71 6ALA HA 69 2.007 2.552 5.233
72 6ALA CB 70 2.144 2.396 5.254
73 6ALA HB1 71 2.224 2.449 5.226
74 6ALA HB2 72 2.138 2.396 5.354
75 6ALA HB3 73 2.153 2.302 5.221
76 6ALA C 74 2.028 2.466 5.044
77 6ALA O 75 2.029 2.364 4.976
78 7SER N 76 2.033 2.588 4.995
79 7SER H 77 2.031 2.666 5.057
80 7SER CA 78 2.041 2.612 4.852
81 7SER HA 79 1.973 2.552 4.811
82 7SER CB 80 2.008 2.758 4.820
83 7SER HB1 81 1.922 2.785 4.864
84 7SER HB2 82 2.001 2.772 4.722
85 7SER OG 83 2.109 2.845 4.868
86 7SER HG 84 2.085 2.940 4.846
87 7SER C 85 2.180 2.577 4.800
88 7SER O 86 2.270 2.543 4.876
89 8LEU N 87 2.194 2.586 4.669
90 8LEU H 88 2.116 2.615 4.613
91 8LEU CA 89 2.321 2.557 4.602
92 8LEU HA 90 2.338 2.460 4.621
93 8LEU CB 91 2.309 2.582 4.452
94 8LEU HB1 92 2.401 2.573 4.412
95 8LEU HB2 93 2.276 2.676 4.439
96 8LEU CG 94 2.216 2.489 4.374
97 8LEU HG 95 2.125 2.492 4.417
98 8LEU CD1 96 2.203 2.534 4.230
99 8LEU HD11 97 2.141 2.472 4.181
100 8LEU HD12 98 2.165 2.627 4.227
101 8LEU HD13 99 2.293 2.533 4.186
102 8LEU CD2 100 2.266 2.345 4.381
103 8LEU HD21 101 2.204 2.286 4.330
104 8LEU HD22 102 2.357 2.340 4.340
105 8LEU HD23 103 2.270 2.315 4.476
106 8LEU C 104 2.435 2.640 4.661
107 8LEU O 105 2.550 2.625 4.620
108 9LEU N 106 2.403 2.725 4.757
109 9LEU H 107 2.308 2.732 4.787
110 9LEU CA 108 2.503 2.808 4.823
111 9LEU HA 109 2.567 2.835 4.750
112 9LEU CB 110 2.439 2.933 4.883
113 9LEU HB1 111 2.509 2.982 4.934
114 9LEU HB2 112 2.367 2.902 4.946
115 9LEU CG 113 2.375 3.031 4.785
116 9LEU HG 114 2.308 2.982 4.730
117 9LEU CD1 115 2.304 3.143 4.859
118 9LEU HD11 116 2.263 3.206 4.793
119 9LEU HD12 117 2.232 3.104 4.917
120 9LEU HD13 118 2.370 3.192 4.916
121 9LEU CD2 119 2.480 3.088 4.691
122 9LEU HD21 120 2.437 3.152 4.627
123 9LEU HD22 121 2.550 3.136 4.744
124 9LEU HD23 122 2.523 3.014 4.639
125 9LEU C 123 2.577 2.728 4.930
126 9LEU O 124 2.675 2.775 4.988
127 10SER N 125 2.528 2.608 4.957
128 10SER H 126 2.448 2.574 4.907
129 10SER CA 127 2.589 2.523 5.060
130 10SER HA 128 2.591 2.580 5.142
131 10SER CB 129 2.506 2.397 5.082
132 10SER HB1 130 2.411 2.420 5.102
133 10SER HB2 131 2.543 2.342 5.157
134 10SER OG 132 2.506 2.315 4.966
135 10SER HG 133 2.451 2.233 4.983
136 10SER C 134 2.732 2.485 5.024
137 10SER O 135 2.826 2.523 5.093
138 11PHE N 136 2.747 2.409 4.917
139 11PHE H 137 2.667 2.381 4.864
140 11PHE CA 138 2.879 2.365 4.877
141 11PHE HA 139 2.906 2.294 4.943
142 11PHE CB 140 2.876 2.306 4.736
143 11PHE HB1 141 2.841 2.375 4.673
144 11PHE HB2 142 2.814 2.227 4.736
145 11PHE CG 143 3.010 2.260 4.686
146 11PHE CD1 144 3.063 2.139 4.726
147 11PHE HD1 145 3.012 2.081 4.789
148 11PHE CE1 146 3.186 2.097 4.680
149 11PHE HE1 147 3.224 2.010 4.710
150 11PHE CZ 148 3.258 2.177 4.592
151 11PHE HZ 149 3.347 2.147 4.559
152 11PHE CE2 150 3.206 2.297 4.552
153 11PHE HE2 151 3.257 2.355 4.488
154 11PHE CD2 152 3.082 2.339 4.598
155 11PHE HD2 153 3.046 2.427 4.568
156 11PHE C 154 2.978 2.481 4.884
157 11PHE O 155 3.087 2.467 4.938
158 12MET N 156 2.940 2.594 4.826
159 12MET H 157 2.849 2.600 4.784
160 12MET CA 158 3.028 2.710 4.824
161 12MET HA 159 3.114 2.678 4.784
162 12MET CB 160 2.968 2.822 4.739
163 12MET HB1 161 2.879 2.848 4.778
164 12MET HB2 162 2.955 2.788 4.646
165 12MET CG 163 3.054 2.947 4.731
166 12MET HG1 164 3.140 2.917 4.691
167 12MET HG2 165 3.069 2.974 4.827
168 12MET SD 166 2.977 3.079 4.636
169 12MET CE 167 2.846 3.130 4.747
170 12MET HE1 168 2.794 3.204 4.705
171 12MET HE2 169 2.785 3.052 4.764
172 12MET HE3 170 2.886 3.161 4.833
173 12MET C 171 3.055 2.761 4.965
174 12MET O 172 3.169 2.757 5.012
175 13GLN N 173 2.951 2.810 5.032
176 13GLN H 174 2.861 2.811 4.987
177 13GLN CA 175 2.964 2.863 5.168
178 13GLN HA 176 2.993 2.958 5.157
179 13GLN CB 177 2.830 2.857 5.241
180 13GLN HB1 178 2.803 2.761 5.251
181 13GLN HB2 179 2.762 2.905 5.186
182 13GLN CG 180 2.832 2.920 5.380
183 13GLN HG1 181 2.904 2.877 5.433
184 13GLN HG2 182 2.744 2.903 5.424
185 13GLN CD 183 2.857 3.069 5.375
186 13GLN OE1 184 2.786 3.143 5.307
187 13GLN NE2 185 2.958 3.114 5.449
188 13GLN HE21 186 3.012 3.050 5.504
189 13GLN HE22 187 2.979 3.212 5.451
190 13GLN C 188 3.071 2.786 5.246
191 13GLN O 189 3.164 2.845 5.301
192 14GLY N 190 3.056 2.654 5.251
193 14GLY H 191 2.978 2.611 5.205
194 14GLY CA 192 3.152 2.570 5.323
195 14GLY HA1 193 3.113 2.478 5.329
196 14GLY HA2 194 3.163 2.607 5.415
197 14GLY C 195 3.287 2.565 5.251
198 14GLY O 196 3.392 2.560 5.315
199 15TYR N 197 3.285 2.566 5.119
200 15TYR H 198 3.197 2.570 5.071
201 15TYR CA 199 3.409 2.560 5.042
202 15TYR HA 200 3.446 2.468 5.056
203 15TYR CB 201 3.381 2.583 4.893
204 15TYR HB1 202 3.336 2.671 4.882
205 15TYR HB2 203 3.321 2.510 4.860
206 15TYR CG 204 3.506 2.583 4.807
207 15TYR CD1 205 3.566 2.464 4.769
208 15TYR HD1 206 3.527 2.377 4.799
209 15TYR CE1 207 3.680 2.463 4.691
210 15TYR HE1 208 3.722 2.377 4.664
211 15TYR CZ 209 3.735 2.583 4.649
212 15TYR OH 210 3.848 2.582 4.571
213 15TYR HH 211 3.874 2.676 4.549
214 15TYR CE2 212 3.676 2.704 4.685
215 15TYR HE2 213 3.715 2.790 4.655
216 15TYR CD2 214 3.562 2.702 4.764
217 15TYR HD2 215 3.520 2.789 4.791
218 15TYR C 216 3.508 2.662 5.094
219 15TYR O 217 3.615 2.627 5.143
220 16MET N 218 3.473 2.788 5.081
221 16MET H 219 3.385 2.812 5.040
222 16MET CA 220 3.562 2.892 5.127
223 16MET HA 221 3.646 2.885 5.073
224 16MET CB 222 3.499 3.030 5.105
225 16MET HB1 223 3.556 3.098 5.151
226 16MET HB2 224 3.407 3.030 5.144
227 16MET CG 225 3.488 3.070 4.958
228 16MET HG1 226 3.443 3.160 4.960
229 16MET HG2 227 3.426 3.003 4.918
230 16MET SD 228 3.647 3.074 4.875
231 16MET CE 229 3.727 3.210 4.960
232 16MET HE1 230 3.819 3.223 4.922
233 16MET HE2 231 3.673 3.293 4.947
234 16MET HE3 232 3.734 3.189 5.057
235 16MET C 233 3.593 2.869 5.273
236 16MET O 234 3.703 2.900 5.319
237 17LYS N 235 3.498 2.811 5.345
238 17LYS H 236 3.410 2.788 5.303
239 17LYS CA 237 3.521 2.783 5.486
240 17LYS HA 238 3.547 2.870 5.528
241 17LYS CB 239 3.393 2.731 5.552
242 17LYS HB1 240 3.366 2.647 5.506
243 17LYS HB2 241 3.322 2.800 5.542
244 17LYS CG 242 3.408 2.701 5.700
245 17LYS HG1 243 3.438 2.784 5.748
246 17LYS HG2 244 3.477 2.629 5.712
247 17LYS CD 245 3.277 2.654 5.761
248 17LYS HD1 246 3.245 2.573 5.712
249 17LYS HD2 247 3.209 2.727 5.751
250 17LYS CE 248 3.292 2.620 5.908
251 17LYS HE1 249 3.323 2.702 5.958
252 17LYS HE2 250 3.360 2.547 5.918
253 17LYS NZ 251 3.164 2.575 5.969
254 17LYS HZ1 252 3.178 2.554 6.065
255 17LYS HZ2 253 3.096 2.647 5.960
256 17LYS HZ3 254 3.132 2.493 5.921
257 17LYS C 255 3.635 2.682 5.501
258 17LYS O 256 3.727 2.701 5.580
259 18HIS N 257 3.626 2.574 5.423
260 18HIS H 258 3.549 2.565 5.360
261 18HIS CA 259 3.727 2.468 5.427
262 18HIS HA 260 3.746 2.456 5.525
263 18HIS CB 261 3.672 2.339 5.366
264 18HIS HB1 262 3.650 2.356 5.270
265 18HIS HB2 263 3.589 2.312 5.415
266 18HIS CG 264 3.768 2.224 5.371
267 18HIS ND1 265 3.799 2.158 5.488
268 18HIS CE1 266 3.887 2.061 5.461
269 18HIS HE1 267 3.925 1.999 5.530
270 18HIS NE2 268 3.918 2.056 5.333
271 18HIS HE2 269 3.980 1.992 5.288
272 18HIS CD2 270 3.849 2.152 5.274
273 18HIS HD2 271 3.852 2.172 5.176
274 18HIS C 272 3.855 2.508 5.356
275 18HIS O 273 3.964 2.489 5.409
276 19ALA N 274 3.844 2.560 5.233
277 19ALA H 275 3.753 2.575 5.194
278 19ALA CA 276 3.963 2.597 5.156
279 19ALA HA 277 4.015 2.512 5.144
280 19ALA CB 278 3.924 2.653 5.020
281 19ALA HB1 279 4.006 2.677 4.969
282 19ALA HB2 280 3.872 2.584 4.969
283 19ALA HB3 281 3.867 2.734 5.033
284 19ALA C 282 4.049 2.697 5.230
285 19ALA O 283 4.169 2.710 5.204
286 20THR N 284 3.988 2.765 5.324
287 20THR H 285 3.891 2.751 5.340
288 20THR CA 286 4.062 2.862 5.404
289 20THR HA 287 4.108 2.922 5.338
290 20THR CB 288 3.968 2.945 5.492
291 20THR HB 289 3.912 2.886 5.550
292 20THR CG2 290 4.047 3.044 5.576
293 20THR HG21 291 3.984 3.098 5.632
294 20THR HG22 292 4.111 2.994 5.635
295 20THR HG23 293 4.098 3.106 5.516
296 20THR OG1 294 3.877 3.019 5.409
297 20THR HG1 295 3.815 3.073 5.466
298 20THR C 296 4.164 2.788 5.490
299 20THR O 297 4.262 2.847 5.536
300 21LYS N 298 4.142 2.658 5.508
301 21LYS H 299 4.061 2.616 5.468
302 21LYS CA 300 4.234 2.576 5.586
303 21LYS HA 301 4.246 2.624 5.672
304 21LYS CB 302 4.174 2.437 5.611
305 21LYS HB1 303 4.245 2.378 5.649
306 21LYS HB2 304 4.142 2.400 5.524
307 21LYS CG 305 4.056 2.437 5.707
308 21LYS HG1 306 3.984 2.496 5.671
309 21LYS HG2 307 4.087 2.473 5.796
310 21LYS CD 308 4.001 2.297 5.727
311 21LYS HD1 309 4.073 2.238 5.763
312 21LYS HD2 310 3.970 2.262 5.639
313 21LYS CE 311 3.884 2.297 5.824
314 21LYS HE1 312 3.812 2.358 5.789
315 21LYS HE2 313 3.915 2.330 5.913
316 21LYS NZ 314 3.825 2.161 5.840
317 21LYS HZ1 315 3.749 2.165 5.905
318 21LYS HZ2 316 3.793 2.128 5.752
319 21LYS HZ3 317 3.895 2.099 5.876
320 21LYS C 318 4.368 2.562 5.515
321 21LYS O 319 4.473 2.562 5.579
322 22THR N 320 4.364 2.549 5.383
323 22THR H 321 4.276 2.550 5.336
324 22THR CA 322 4.486 2.532 5.304
325 22THR HA 323 4.528 2.449 5.342
326 22THR CB 324 4.455 2.514 5.154
327 22THR HB 325 4.540 2.508 5.101
328 22THR CG2 326 4.369 2.391 5.132
329 22THR HG21 327 4.350 2.381 5.035
330 22THR HG22 328 4.418 2.310 5.165
331 22THR HG23 329 4.283 2.401 5.182
332 22THR OG1 330 4.384 2.629 5.106
333 22THR HG1 331 4.364 2.617 5.009
334 22THR C 332 4.581 2.651 5.321
335 22THR O 333 4.699 2.644 5.284
336 23ALA N 334 4.530 2.760 5.377
337 23ALA H 335 4.434 2.760 5.406
338 23ALA CA 336 4.610 2.880 5.399
339 23ALA HA 337 4.627 2.918 5.308
340 23ALA CB 338 4.533 2.980 5.483
341 23ALA HB1 339 4.589 3.062 5.497
342 23ALA HB2 340 4.448 3.006 5.436
343 23ALA HB3 341 4.511 2.939 5.572
344 23ALA C 342 4.743 2.845 5.466
345 23ALA O 343 4.848 2.884 5.418
346 24LYS N 344 4.737 2.770 5.576
347 24LYS H 345 4.648 2.741 5.610
348 24LYS CA 346 4.858 2.730 5.647
349 24LYS HA 347 4.896 2.813 5.687
350 24LYS CB 348 4.823 2.632 5.760
351 24LYS HB1 349 4.781 2.551 5.719
352 24LYS HB2 350 4.758 2.676 5.821
353 24LYS CG 351 4.943 2.587 5.842
354 24LYS HG1 352 4.988 2.668 5.880
355 24LYS HG2 353 5.007 2.538 5.783
356 24LYS CD 354 4.901 2.496 5.956
357 24LYS HD1 355 4.854 2.416 5.918
358 24LYS HD2 356 4.838 2.546 6.016
359 24LYS CE 357 5.021 2.449 6.037
360 24LYS HE1 358 5.068 2.529 6.075
361 24LYS HE2 359 5.083 2.399 5.977
362 24LYS NZ 360 4.980 2.360 6.149
363 24LYS HZ1 361 5.062 2.331 6.200
364 24LYS HZ2 362 4.918 2.408 6.210
365 24LYS HZ3 363 4.934 2.279 6.112
366 24LYS C 364 4.959 2.667 5.550
367 24LYS O 365 5.062 2.725 5.518
368 25ASP N 366 4.929 2.544 5.509
369 25ASP H 367 4.843 2.502 5.540
370 25ASP CA 368 5.017 2.470 5.420
371 25ASP HA 369 5.097 2.443 5.474
372 25ASP CB 370 4.947 2.344 5.369
373 25ASP HB1 371 5.001 2.305 5.294
374 25ASP HB2 372 4.856 2.369 5.335
375 25ASP CG 373 4.931 2.238 5.476
376 25ASP OD1 374 4.996 2.250 5.582
377 25ASP OD2 375 4.853 2.143 5.455
378 25ASP C 376 5.059 2.560 5.306
379 25ASP O 377 5.176 2.562 5.267
380 26ALA N 378 4.964 2.637 5.254
381 26ALA H 379 4.871 2.631 5.289
382 26ALA CA 380 4.995 2.730 5.147
383 26ALA HA 381 5.042 2.677 5.076
384 26ALA CB 382 4.867 2.788 5.088
385 26ALA HB1 383 4.890 2.852 5.015
386 26ALA HB2 384 4.811 2.714 5.052
387 26ALA HB3 385 4.817 2.836 5.160
388 26ALA C 386 5.086 2.842 5.200
389 26ALA O 387 5.179 2.884 5.132
390 27LEU N 388 5.058 2.889 5.321
391 27LEU H 389 4.981 2.850 5.372
392 27LEU CA 390 5.138 2.997 5.381
393 27LEU HA 391 5.132 3.074 5.318
394 27LEU CB 392 5.082 3.035 5.518
395 27LEU HB1 393 5.081 2.953 5.575
396 27LEU HB2 394 4.989 3.068 5.505
397 27LEU CG 395 5.159 3.143 5.595
398 27LEU HG 396 5.254 3.113 5.606
399 27LEU CD1 397 5.159 3.274 5.517
400 27LEU HD11 398 5.210 3.343 5.568
401 27LEU HD12 399 5.203 3.260 5.428
402 27LEU HD13 400 5.065 3.305 5.503
403 27LEU CD2 401 5.099 3.164 5.733
404 27LEU HD21 402 5.150 3.235 5.781
405 27LEU HD22 403 5.003 3.193 5.724
406 27LEU HD23 404 5.104 3.079 5.785
407 27LEU C 405 5.284 2.956 5.394
408 27LEU O 406 5.374 3.031 5.357
409 28SER N 407 5.306 2.837 5.444
410 28SER H 408 5.229 2.779 5.472
411 28SER CA 409 5.442 2.787 5.459
412 28SER HA 410 5.490 2.850 5.520
413 28SER CB 411 5.442 2.648 5.523
414 28SER HB1 412 5.389 2.648 5.608
415 28SER HB2 413 5.535 2.618 5.541
416 28SER OG 414 5.383 2.553 5.436
417 28SER HG 415 5.384 2.463 5.480
418 28SER C 416 5.508 2.786 5.322
419 28SER O 417 5.629 2.800 5.309
420 29SER N 418 5.425 2.769 5.220
421 29SER H 419 5.327 2.758 5.236
422 29SER CA 420 5.477 2.766 5.082
423 29SER HA 421 5.556 2.705 5.085
424 29SER CB 422 5.371 2.712 4.986
425 29SER HB1 423 5.404 2.716 4.892
426 29SER HB2 424 5.286 2.763 4.995
427 29SER OG 425 5.341 2.576 5.015
428 29SER HG 426 5.272 2.543 4.951
429 29SER C 427 5.522 2.906 5.037
430 29SER O 428 5.563 2.924 4.922
431 30VAL N 429 5.512 3.005 5.125
432 30VAL H 430 5.477 2.985 5.217
433 30VAL CA 431 5.550 3.143 5.090
434 30VAL HA 432 5.487 3.166 5.016
435 30VAL CB 433 5.532 3.238 5.210
436 30VAL HB 434 5.443 3.222 5.251
437 30VAL CG1 435 5.638 3.212 5.316
438 30VAL HG11 436 5.625 3.274 5.392
439 30VAL HG12 437 5.630 3.117 5.348
440 30VAL HG13 438 5.729 3.226 5.276
441 30VAL CG2 439 5.538 3.383 5.163
442 30VAL HG21 440 5.526 3.444 5.242
443 30VAL HG22 441 5.626 3.401 5.120
444 30VAL HG23 442 5.465 3.400 5.097
445 30VAL C 443 5.695 3.152 5.040
446 30VAL O 444 5.743 3.261 5.009
447 31GLN N 445 5.764 3.038 5.032
448 31GLN H 446 5.720 2.953 5.059
449 31GLN CA 447 5.904 3.036 4.986
450 31GLN HA 448 5.959 3.073 5.061
451 31GLN CB 449 5.948 2.893 4.955
452 31GLN HB1 450 5.892 2.858 4.879
453 31GLN HB2 451 5.932 2.837 5.037
454 31GLN CG 452 6.094 2.879 4.917
455 31GLN HG1 453 6.113 2.940 4.840
456 31GLN HG2 454 6.112 2.784 4.890
457 31GLN CD 455 6.188 2.916 5.031
458 31GLN OE1 456 6.174 2.866 5.142
459 31GLN NE2 457 6.284 3.003 5.002
460 31GLN HE21 458 6.291 3.041 4.910
461 31GLN HE22 459 6.349 3.031 5.073
462 31GLN C 460 5.923 3.124 4.862
463 31GLN O 461 6.035 3.157 4.825
464 32GLU N 462 5.813 3.164 4.802
465 32GLU H 463 5.723 3.134 4.836
466 32GLU CA 464 5.820 3.251 4.687
467 32GLU HA 465 5.892 3.215 4.627
468 32GLU CB 466 5.687 3.251 4.610
469 32GLU HB1 467 5.691 3.320 4.539
470 32GLU HB2 468 5.614 3.273 4.674
471 32GLU CG 469 5.654 3.117 4.545
472 32GLU HG1 470 5.650 3.047 4.615
473 32GLU HG2 471 5.726 3.095 4.479
474 32GLU CD 472 5.521 3.120 4.472
475 32GLU OE1 473 5.452 3.224 4.478
476 32GLU OE2 474 5.486 3.018 4.409
477 32GLU C 475 5.856 3.392 4.733
478 32GLU O 476 5.878 3.482 4.652
479 33SER N 477 5.863 3.409 4.865
480 33SER H 478 5.844 3.333 4.926
481 33SER CA 479 5.899 3.539 4.922
482 33SER HA 480 5.832 3.604 4.888
483 33SER CB 481 5.893 3.534 5.075
484 33SER HB1 482 5.804 3.498 5.105
485 33SER HB2 483 5.907 3.625 5.114
486 33SER OG 484 5.993 3.449 5.128
487 33SER HG 485 5.987 3.448 5.227
488 33SER C 486 6.038 3.579 4.876
489 33SER O 487 6.076 3.696 4.884
490 34GLN N 488 6.114 3.482 4.827
491 34GLN H 489 6.078 3.389 4.822
492 34GLN CA 490 6.248 3.512 4.781
493 34GLN HA 491 6.299 3.542 4.862
494 34GLN CB 492 6.314 3.386 4.724
495 34GLN HB1 493 6.263 3.358 4.643
496 34GLN HB2 494 6.310 3.314 4.793
497 34GLN CG 495 6.459 3.405 4.684
498 34GLN HG1 496 6.465 3.481 4.619
499 34GLN HG2 497 6.492 3.321 4.640
500 34GLN CD 498 6.549 3.435 4.802
501 34GLN OE1 499 6.547 3.364 4.903
502 34GLN NE2 500 6.629 3.541 4.791
503 34GLN HE21 501 6.627 3.596 4.707
504 34GLN HE22 502 6.690 3.566 4.866
505 34GLN C 503 6.245 3.623 4.677
506 34GLN O 504 6.348 3.679 4.641
507 35VAL N 505 6.124 3.655 4.628
508 35VAL H 506 6.044 3.606 4.661
509 35VAL CA 507 6.107 3.760 4.527
510 35VAL HA 508 6.145 3.720 4.444
511 35VAL CB 509 5.959 3.795 4.506
512 35VAL HB 510 5.906 3.711 4.496
513 35VAL CG1 511 5.905 3.870 4.627
514 35VAL HG11 512 5.808 3.892 4.612
515 35VAL HG12 513 5.913 3.812 4.708
516 35VAL HG13 514 5.957 3.954 4.640
517 35VAL CG2 515 5.941 3.878 4.380
518 35VAL HG21 516 5.844 3.900 4.368
519 35VAL HG22 517 5.994 3.962 4.387
520 35VAL HG23 518 5.973 3.825 4.301
521 35VAL C 519 6.186 3.886 4.564
522 35VAL O 520 6.199 3.978 4.484
523 36ALA N 521 6.242 3.889 4.685
524 36ALA H 522 6.229 3.813 4.748
525 36ALA CA 523 6.323 4.004 4.727
526 36ALA HA 524 6.260 4.081 4.744
527 36ALA CB 525 6.397 3.973 4.856
528 36ALA HB1 526 6.451 4.052 4.883
529 36ALA HB2 527 6.331 3.951 4.928
530 36ALA HB3 528 6.457 3.894 4.842
531 36ALA C 529 6.420 4.040 4.615
532 36ALA O 530 6.411 4.148 4.557
533 37GLN N 531 6.513 3.949 4.587
534 37GLN H 532 6.515 3.863 4.638
535 37GLN CA 533 6.613 3.974 4.483
536 37GLN HA 534 6.681 4.034 4.524
537 37GLN CB 535 6.679 3.843 4.441
538 37GLN HB1 536 6.609 3.784 4.399
539 37GLN HB2 537 6.716 3.798 4.522
540 37GLN CG 538 6.792 3.860 4.340
541 37GLN HG1 539 6.757 3.910 4.261
542 37GLN HG2 540 6.823 3.769 4.311
543 37GLN CD 541 6.910 3.935 4.397
544 37GLN OE1 542 6.964 3.898 4.501
545 37GLN NE2 543 6.950 4.042 4.329
546 37GLN HE21 544 6.903 4.068 4.245
547 37GLN HE22 545 7.028 4.096 4.363
548 37GLN C 546 6.547 4.043 4.363
549 37GLN O 547 6.606 4.132 4.303
550 38GLN N 548 6.424 4.002 4.330
551 38GLN H 549 6.380 3.929 4.382
552 38GLN CA 550 6.352 4.065 4.219
553 38GLN HA 551 6.408 4.055 4.136
554 38GLN CB 552 6.219 3.993 4.194
555 38GLN HB1 553 6.162 4.005 4.275
556 38GLN HB2 554 6.238 3.896 4.181
557 38GLN CG 555 6.143 4.045 4.074
558 38GLN HG1 556 6.130 4.144 4.083
559 38GLN HG2 557 6.053 4.000 4.071
560 38GLN CD 558 6.214 4.017 3.943
561 38GLN OE1 559 6.249 3.903 3.913
562 38GLN NE2 560 6.237 4.122 3.865
563 38GLN HE21 561 6.206 4.213 3.893
564 38GLN HE22 562 6.284 4.111 3.777
565 38GLN C 563 6.332 4.212 4.253
566 38GLN O 564 6.380 4.300 4.182
567 39ALA N 565 6.264 4.237 4.364
568 39ALA H 566 6.227 4.162 4.418
569 39ALA CA 567 6.242 4.375 4.407
570 39ALA HA 568 6.177 4.418 4.345
571 39ALA CB 569 6.182 4.377 4.547
572 39ALA HB1 570 6.168 4.472 4.575
573 39ALA HB2 571 6.094 4.329 4.546
574 39ALA HB3 572 6.244 4.332 4.611
575 39ALA C 573 6.376 4.447 4.402
576 39ALA O 574 6.390 4.549 4.335
577 40ARG N 575 6.474 4.391 4.472
578 40ARG H 576 6.456 4.308 4.525
579 40ARG CA 577 6.609 4.449 4.474
580 40ARG HA 578 6.600 4.541 4.512
581 40ARG CB 579 6.702 4.366 4.563
582 40ARG HB1 580 6.795 4.398 4.550
583 40ARG HB2 581 6.695 4.270 4.536
584 40ARG CG 582 6.670 4.376 4.712
585 40ARG HG1 583 6.575 4.346 4.727
586 40ARG HG2 584 6.680 4.470 4.741
587 40ARG CD 585 6.763 4.288 4.794
588 40ARG HD1 586 6.857 4.316 4.779
589 40ARG HD2 587 6.752 4.192 4.766
590 40ARG NE 588 6.734 4.297 4.937
591 40ARG HE 589 6.666 4.364 4.967
592 40ARG CZ 590 6.793 4.222 5.030
593 40ARG NH1 591 6.761 4.238 5.157
594 40ARG HH11 592 6.693 4.306 5.184
595 40ARG HH12 593 6.806 4.182 5.227
596 40ARG NH2 594 6.884 4.133 4.995
597 40ARG HH21 595 6.908 4.121 4.898
598 40ARG HH22 596 6.929 4.076 5.064
599 40ARG C 597 6.664 4.457 4.332
600 40ARG O 598 6.770 4.514 4.307
601 41GLY N 599 6.587 4.402 4.241
602 41GLY H 600 6.502 4.356 4.270
603 41GLY CA 601 6.620 4.405 4.100
604 41GLY HA1 602 6.568 4.332 4.054
605 41GLY HA2 603 6.718 4.388 4.090
606 41GLY C 604 6.583 4.542 4.042
607 41GLY O 605 6.667 4.613 3.989
608 42TRP N 606 6.454 4.574 4.050
609 42TRP H 607 6.391 4.511 4.095
610 42TRP CA 608 6.402 4.701 3.995
611 42TRP HA 609 6.401 4.687 3.896
612 42TRP CB 610 6.261 4.728 4.047
613 42TRP HB1 611 6.236 4.822 4.024
614 42TRP HB2 612 6.261 4.717 4.147
615 42TRP CG 613 6.157 4.637 3.990
616 42TRP CD1 614 6.092 4.536 4.054
617 42TRP HD1 615 6.107 4.510 4.149
618 42TRP NE1 616 6.003 4.475 3.969
619 42TRP HE1 617 5.944 4.398 3.992
620 42TRP CE2 618 6.010 4.537 3.847
621 42TRP CZ2 619 5.940 4.511 3.729
622 42TRP HZ2 620 5.872 4.437 3.724
623 42TRP CH2 621 5.966 4.589 3.621
624 42TRP HH2 622 5.918 4.573 3.535
625 42TRP CZ3 623 6.061 4.692 3.627
626 42TRP HZ3 624 6.078 4.748 3.546
627 42TRP CE3 625 6.131 4.719 3.744
628 42TRP HE3 626 6.198 4.792 3.747
629 42TRP CD2 627 6.105 4.640 3.856
630 42TRP C 628 6.494 4.819 4.028
631 42TRP O 629 6.488 4.923 3.964
632 43VAL N 630 6.580 4.801 4.128
633 43VAL H 631 6.581 4.714 4.177
634 43VAL CA 632 6.673 4.907 4.166
635 43VAL HA 633 6.615 4.985 4.190
636 43VAL CB 634 6.758 4.867 4.288
637 43VAL HB 635 6.801 4.779 4.270
638 43VAL CG1 636 6.868 4.969 4.312
639 43VAL HG11 637 6.922 4.942 4.391
640 43VAL HG12 638 6.927 4.974 4.231
641 43VAL HG13 639 6.827 5.059 4.329
642 43VAL CG2 640 6.670 4.853 4.411
643 43VAL HG21 641 6.727 4.826 4.489
644 43VAL HG22 642 6.625 4.940 4.430
645 43VAL HG23 643 6.601 4.782 4.395
646 43VAL C 644 6.764 4.943 4.047
647 43VAL O 645 6.783 5.060 4.014
648 44THR N 646 6.820 4.839 3.986
649 44THR H 647 6.800 4.747 4.018
650 44THR CA 648 6.910 4.858 3.873
651 44THR HA 649 6.984 4.916 3.908
652 44THR CB 650 6.968 4.724 3.824
653 44THR HB 651 6.895 4.661 3.801
654 44THR CG2 652 7.059 4.747 3.704
655 44THR HG21 653 7.096 4.659 3.673
656 44THR HG22 654 7.007 4.789 3.630
657 44THR HG23 655 7.135 4.807 3.730
658 44THR OG1 656 7.044 4.663 3.929
659 44THR HG1 657 7.082 4.576 3.897
660 44THR C 658 6.837 4.929 3.760
661 44THR O 659 6.893 5.016 3.694
662 45ASP N 660 6.712 4.891 3.740
663 45ASP H 661 6.672 4.820 3.797
664 45ASP CA 662 6.632 4.952 3.635
665 45ASP HA 663 6.693 4.959 3.556
666 45ASP CB 664 6.511 4.865 3.602
667 45ASP HB1 665 6.451 4.915 3.540
668 45ASP HB2 666 6.462 4.843 3.686
669 45ASP CG 667 6.550 4.734 3.535
670 45ASP OD1 668 6.658 4.730 3.471
671 45ASP OD2 669 6.474 4.636 3.546
672 45ASP C 670 6.586 5.092 3.677
673 45ASP O 671 6.499 5.151 3.613
674 46GLY N 672 6.647 5.145 3.783
675 46GLY H 673 6.718 5.093 3.831
676 46GLY CA 674 6.612 5.279 3.829
677 46GLY HA1 675 6.624 5.343 3.752
678 46GLY HA2 676 6.674 5.304 3.903
679 46GLY C 677 6.467 5.284 3.877
680 46GLY O 678 6.389 5.368 3.833
681 47PHE N 679 6.433 5.196 3.971
682 47PHE H 680 6.500 5.130 4.004
683 47PHE CA 681 6.297 5.194 4.026
684 47PHE HA 682 6.239 5.159 3.953
685 47PHE CB 683 6.290 5.102 4.148
686 47PHE HB1 684 6.331 5.014 4.124
687 47PHE HB2 685 6.194 5.088 4.172
688 47PHE CG 686 6.362 5.155 4.269
689 47PHE CD1 687 6.296 5.236 4.359
690 47PHE HD1 688 6.200 5.260 4.344
691 47PHE CE1 689 6.362 5.285 4.470
692 47PHE HE1 690 6.313 5.344 4.535
693 47PHE CZ 691 6.494 5.253 4.492
694 47PHE HZ 692 6.542 5.288 4.573
695 47PHE CE2 693 6.560 5.172 4.403
696 47PHE HE2 694 6.656 5.148 4.419
697 47PHE CD2 695 6.494 5.123 4.292
698 47PHE HD2 696 6.543 5.064 4.227
699 47PHE C 697 6.252 5.335 4.064
700 47PHE O 698 6.133 5.362 4.075
701 48SER N 699 6.349 5.423 4.087
702 48SER H 700 6.445 5.395 4.076
703 48SER CA 701 6.319 5.560 4.127
704 48SER HA 702 6.286 5.553 4.221
705 48SER CB 703 6.444 5.647 4.120
706 48SER HB1 704 6.519 5.606 4.173
707 48SER HB2 705 6.426 5.739 4.156
708 48SER OG 706 6.489 5.661 3.987
709 48SER HG 707 6.571 5.719 3.985
710 48SER C 708 6.210 5.619 4.040
711 48SER O 709 6.138 5.709 4.083
712 49SER N 710 6.198 5.570 3.917
713 49SER H 711 6.258 5.496 3.888
714 49SER CA 712 6.097 5.622 3.826
715 49SER HA 713 6.124 5.717 3.808
716 49SER CB 714 6.098 5.542 3.695
717 49SER HB1 715 6.190 5.537 3.657
718 49SER HB2 716 6.035 5.583 3.629
719 49SER OG 717 6.054 5.409 3.717
720 49SER HG 718 6.055 5.359 3.630
721 49SER C 719 5.960 5.618 3.890
722 49SER O 720 5.864 5.676 3.837
723 50LEU N 721 5.950 5.553 4.006
724 50LEU H 722 6.030 5.508 4.044
725 50LEU CA 723 5.823 5.548 4.078
726 50LEU HA 724 5.751 5.540 4.009
727 50LEU CB 725 5.819 5.425 4.169
728 50LEU HB1 726 5.736 5.432 4.225
729 50LEU HB2 727 5.900 5.428 4.228
730 50LEU CG 728 5.816 5.289 4.099
731 50LEU HG 729 5.895 5.283 4.038
732 50LEU CD1 730 5.826 5.176 4.201
733 50LEU HD11 731 5.824 5.088 4.153
734 50LEU HD12 732 5.912 5.185 4.252
735 50LEU HD13 733 5.749 5.182 4.264
736 50LEU CD2 734 5.690 5.274 4.015
737 50LEU HD21 735 5.690 5.184 3.970
738 50LEU HD22 736 5.610 5.281 4.074
739 50LEU HD23 737 5.687 5.346 3.946
740 50LEU C 738 5.805 5.677 4.158
741 50LEU O 739 5.693 5.723 4.178
742 51LYS N 740 5.917 5.733 4.205
743 51LYS H 741 6.005 5.690 4.185
744 51LYS CA 742 5.914 5.857 4.284
745 51LYS HA 743 5.863 5.835 4.367
746 51LYS CB 744 6.056 5.900 4.320
747 51LYS HB1 745 6.107 5.918 4.235
748 51LYS HB2 746 6.101 5.826 4.370
749 51LYS CG 747 6.063 6.026 4.405
750 51LYS HG1 748 6.010 6.011 4.488
751 51LYS HG2 749 6.024 6.102 4.354
752 51LYS CD 750 6.206 6.059 4.443
753 51LYS HD1 751 6.260 6.072 4.359
754 51LYS HD2 752 6.245 5.984 4.495
755 51LYS CE 753 6.213 6.186 4.526
756 51LYS HE1 754 6.160 6.174 4.610
757 51LYS HE2 755 6.175 6.262 4.474
758 51LYS NZ 756 6.353 6.220 4.564
759 51LYS HZ1 757 6.353 6.304 4.619
760 51LYS HZ2 758 6.392 6.146 4.617
761 51LYS HZ3 759 6.407 6.235 4.481
762 51LYS C 760 5.842 5.967 4.208
763 51LYS O 761 5.732 6.007 4.244
764 52ASP N 762 5.906 6.017 4.102
765 52ASP H 763 5.996 5.981 4.077
766 52ASP CA 764 5.846 6.124 4.022
767 52ASP HA 765 5.858 6.209 4.074
768 52ASP CB 766 5.919 6.138 3.888
769 52ASP HB1 767 5.865 6.198 3.828
770 52ASP HB2 768 5.927 6.048 3.846
771 52ASP CG 769 6.058 6.197 3.903
772 52ASP OD1 770 6.088 6.252 4.011
773 52ASP OD2 771 6.136 6.188 3.806
774 52ASP C 772 5.698 6.095 4.001
775 52ASP O 773 5.612 6.177 4.035
776 53TYR N 774 5.668 5.979 3.945
777 53TYR H 775 5.742 5.917 3.919
778 53TYR CA 776 5.530 5.941 3.919
779 53TYR HA 777 5.492 6.013 3.860
780 53TYR CB 778 5.524 5.806 3.847
781 53TYR HB1 779 5.567 5.737 3.904
782 53TYR HB2 780 5.573 5.814 3.761
783 53TYR CG 781 5.383 5.760 3.816
784 53TYR CD1 782 5.313 5.813 3.709
785 53TYR HD1 783 5.355 5.883 3.651
786 53TYR CE1 784 5.184 5.771 3.680
787 53TYR HE1 785 5.135 5.810 3.602
788 53TYR CZ 786 5.124 5.675 3.759
789 53TYR OH 787 4.997 5.633 3.730
790 53TYR HH 788 4.969 5.563 3.796
791 53TYR CE2 789 5.193 5.620 3.867
792 53TYR HE2 790 5.150 5.550 3.924
793 53TYR CD2 791 5.321 5.663 3.894
794 53TYR HD2 792 5.371 5.624 3.972
795 53TYR C 793 5.451 5.936 4.050
796 53TYR O 794 5.338 5.984 4.057
797 54TRP N 795 5.510 5.877 4.154
798 54TRP H 796 5.602 5.839 4.143
799 54TRP CA 797 5.443 5.868 4.283
800 54TRP HA 798 5.353 5.828 4.264
801 54TRP CB 799 5.521 5.777 4.378
802 54TRP HB1 800 5.613 5.815 4.391
803 54TRP HB2 801 5.529 5.686 4.337
804 54TRP CG 802 5.458 5.761 4.513
805 54TRP CD1 803 5.363 5.670 4.548
806 54TRP HD1 804 5.324 5.601 4.487
807 54TRP NE1 805 5.329 5.687 4.680
808 54TRP HE1 806 5.261 5.632 4.730
809 54TRP CE2 807 5.402 5.791 4.732
810 54TRP CZ2 808 5.402 5.845 4.861
811 54TRP HZ2 809 5.343 5.808 4.932
812 54TRP CH2 810 5.486 5.950 4.885
813 54TRP HH2 811 5.489 5.991 4.976
814 54TRP CZ3 812 5.569 6.001 4.784
815 54TRP HZ3 813 5.630 6.078 4.805
816 54TRP CE3 814 5.569 5.947 4.657
817 54TRP HE3 815 5.629 5.985 4.586
818 54TRP CD2 816 5.484 5.840 4.629
819 54TRP C 817 5.426 6.007 4.344
820 54TRP O 818 5.315 6.048 4.378
821 55SER N 819 5.537 6.079 4.357
822 55SER H 820 5.624 6.039 4.327
823 55SER CA 821 5.536 6.213 4.414
824 55SER HA 822 5.514 6.202 4.511
825 55SER CB 823 5.673 6.279 4.399
826 55SER HB1 824 5.745 6.220 4.438
827 55SER HB2 825 5.675 6.368 4.445
828 55SER OG 826 5.705 6.301 4.263
829 55SER HG 827 5.795 6.344 4.256
830 55SER C 828 5.429 6.298 4.346
831 55SER O 829 5.367 6.383 4.410
832 56THR N 830 5.407 6.273 4.218
833 56THR H 831 5.461 6.203 4.171
834 56THR CA 832 5.306 6.348 4.144
835 56THR HA 833 5.318 6.443 4.173
836 56THR CB 834 5.327 6.336 3.992
837 56THR HB 835 5.253 6.381 3.942
838 56THR CG2 836 5.462 6.396 3.952
839 56THR HG21 837 5.474 6.387 3.853
840 56THR HG22 838 5.465 6.492 3.978
841 56THR HG23 839 5.535 6.346 3.999
842 56THR OG1 840 5.325 6.198 3.953
843 56THR HG1 841 5.339 6.191 3.854
844 56THR C 842 5.167 6.297 4.181
845 56THR O 843 5.094 6.362 4.256
846 57VAL N 844 5.129 6.180 4.127
847 57VAL H 845 5.193 6.131 4.067
848 57VAL CA 846 4.997 6.122 4.155
849 57VAL HA 847 4.935 6.170 4.093
850 57VAL CB 848 4.995 5.971 4.124
851 57VAL HB 849 5.070 5.926 4.173
852 57VAL CG1 850 4.864 5.909 4.172
853 57VAL HG11 851 4.864 5.811 4.151
854 57VAL HG12 852 4.855 5.922 4.271
855 57VAL HG13 853 4.787 5.953 4.125
856 57VAL CG2 854 5.014 5.946 3.975
857 57VAL HG21 855 5.012 5.848 3.957
858 57VAL HG22 856 4.941 5.991 3.924
859 57VAL HG23 857 5.103 5.984 3.946
860 57VAL C 858 4.955 6.146 4.299
861 57VAL O 859 4.858 6.216 4.326
862 58GLU N 860 5.029 6.087 4.393
863 58GLU H 861 5.107 6.031 4.366
864 58GLU CA 862 4.998 6.104 4.534
865 58GLU HA 863 4.916 6.048 4.551
866 58GLU CB 864 5.113 6.054 4.621
867 58GLU HB1 865 5.195 6.109 4.600
868 58GLU HB2 866 5.131 5.958 4.599
869 58GLU CG 867 5.087 6.064 4.771
870 58GLU HG1 868 5.062 6.158 4.793
871 58GLU HG2 869 5.171 6.040 4.820
872 58GLU CD 870 4.976 5.972 4.817
873 58GLU OE1 871 4.946 5.875 4.745
874 58GLU OE2 872 4.920 5.997 4.925
875 58GLU C 873 4.967 6.250 4.565
876 58GLU O 874 4.858 6.283 4.611
877 59ASP N 875 5.064 6.337 4.540
878 59ASP H 876 5.151 6.305 4.503
879 59ASP CA 877 5.045 6.480 4.566
880 59ASP HA 878 5.026 6.487 4.664
881 59ASP CB 879 5.172 6.558 4.531
882 59ASP HB1 880 5.151 6.655 4.531
883 59ASP HB2 881 5.203 6.530 4.440
884 59ASP CG 882 5.284 6.533 4.630
885 59ASP OD1 883 5.257 6.478 4.739
886 59ASP OD2 884 5.400 6.568 4.599
887 59ASP C 885 4.927 6.532 4.486
888 59ASP O 886 4.843 6.605 4.539
889 60LYS N 887 4.921 6.497 4.358
890 60LYS H 888 4.992 6.437 4.321
891 60LYS CA 889 4.813 6.543 4.272
892 60LYS HA 890 4.809 6.642 4.284
893 60LYS CB 891 4.842 6.508 4.126
894 60LYS HB1 892 4.761 6.528 4.072
895 60LYS HB2 893 4.863 6.410 4.120
896 60LYS CG 894 4.959 6.585 4.067
897 60LYS HG1 895 5.042 6.565 4.120
898 60LYS HG2 896 4.940 6.683 4.071
899 60LYS CD 897 4.983 6.546 3.922
900 60LYS HD1 898 4.901 6.565 3.869
901 60LYS HD2 899 5.003 6.448 3.917
902 60LYS CE 900 5.100 6.622 3.862
903 60LYS HE1 901 5.182 6.604 3.915
904 60LYS HE2 902 5.080 6.720 3.864
905 60LYS NZ 903 5.126 6.583 3.721
906 60LYS HZ1 904 5.203 6.636 3.685
907 60LYS HZ2 905 5.147 6.486 3.716
908 60LYS HZ3 906 5.044 6.602 3.665
909 60LYS C 907 4.680 6.483 4.314
910 60LYS O 908 4.574 6.522 4.265
911 61PHE N 909 4.686 6.389 4.406
912 61PHE H 910 4.774 6.360 4.443
913 61PHE CA 911 4.564 6.327 4.454
914 61PHE HA 912 4.515 6.292 4.374
915 61PHE CB 913 4.596 6.210 4.548
916 61PHE HB1 914 4.646 6.245 4.627
917 61PHE HB2 915 4.653 6.144 4.499
918 61PHE CG 916 4.474 6.138 4.598
919 61PHE CD1 917 4.405 6.051 4.516
920 61PHE HD1 918 4.435 6.037 4.422
921 61PHE CE1 919 4.293 5.984 4.562
922 61PHE HE1 920 4.243 5.922 4.502
923 61PHE CZ 921 4.250 6.003 4.692
924 61PHE HZ 922 4.169 5.955 4.726
925 61PHE CE2 923 4.318 6.089 4.774
926 61PHE HE2 924 4.287 6.103 4.868
927 61PHE CD2 925 4.430 6.156 4.728
928 61PHE HD2 926 4.479 6.218 4.789
929 61PHE C 927 4.480 6.433 4.524
930 61PHE O 928 4.357 6.421 4.532
931 62SER N 929 4.547 6.537 4.572
932 62SER H 930 4.646 6.541 4.562
933 62SER CA 931 4.476 6.647 4.639
934 62SER HA 932 4.417 6.603 4.707
935 62SER CB 933 4.576 6.740 4.709
936 62SER HB1 934 4.639 6.779 4.643
937 62SER HB2 935 4.627 6.690 4.779
938 62SER OG 936 4.509 6.847 4.773
939 62SER HG 937 4.576 6.906 4.818
940 62SER C 938 4.391 6.725 4.540
941 62SER O 939 4.272 6.746 4.561
942 63GLU N 940 4.455 6.770 4.432
943 63GLU H 941 4.552 6.749 4.420
944 63GLU CA 942 4.386 6.849 4.330
945 63GLU HA 943 4.329 6.912 4.381
946 63GLU CB 944 4.488 6.925 4.243
947 63GLU HB1 945 4.439 6.966 4.167
948 63GLU HB2 946 4.555 6.859 4.208
949 63GLU CG 947 4.563 7.034 4.317
950 63GLU HG1 948 4.611 6.994 4.395
951 63GLU HG2 949 4.496 7.102 4.350
952 63GLU CD 950 4.664 7.105 4.229
953 63GLU OE1 951 4.686 7.059 4.115
954 63GLU OE2 952 4.720 7.207 4.274
955 63GLU C 953 4.298 6.763 4.241
956 63GLU O 954 4.196 6.809 4.190
957 64PHE N 955 4.338 6.638 4.219
958 64PHE H 956 4.422 6.605 4.263
959 64PHE CA 957 4.263 6.549 4.132
960 64PHE HA 958 4.261 6.594 4.043
961 64PHE CB 959 4.331 6.413 4.122
962 64PHE HB1 960 4.336 6.372 4.213
963 64PHE HB2 961 4.424 6.426 4.086
964 64PHE CG 962 4.261 6.316 4.031
965 64PHE CD1 963 4.273 6.326 3.894
966 64PHE HD1 964 4.330 6.398 3.854
967 64PHE CE1 965 4.208 6.237 3.811
968 64PHE HE1 966 4.218 6.244 3.711
969 64PHE CZ 967 4.130 6.137 3.865
970 64PHE HZ 968 4.083 6.072 3.805
971 64PHE CE2 969 4.117 6.126 4.001
972 64PHE HE2 970 4.060 6.054 4.040
973 64PHE CD2 971 4.182 6.215 4.084
974 64PHE HD2 972 4.172 6.207 4.183
975 64PHE C 973 4.120 6.533 4.183
976 64PHE O 974 4.037 6.470 4.117
977 65TRP N 975 4.092 6.590 4.299
978 65TRP H 976 4.163 6.640 4.348
979 65TRP CA 977 3.958 6.582 4.355
980 65TRP HA 978 3.926 6.489 4.336
981 65TRP CB 979 3.962 6.605 4.506
982 65TRP HB1 980 3.998 6.696 4.524
983 65TRP HB2 981 4.021 6.536 4.548
984 65TRP CG 982 3.827 6.595 4.572
985 65TRP CD1 983 3.766 6.482 4.618
986 65TRP HD1 984 3.806 6.390 4.614
987 65TRP NE1 985 3.644 6.513 4.671
988 65TRP HE1 986 3.580 6.447 4.712
989 65TRP CE2 987 3.623 6.648 4.660
990 65TRP CZ2 988 3.514 6.725 4.699
991 65TRP HZ2 989 3.435 6.684 4.744
992 65TRP CH2 990 3.520 6.860 4.676
993 65TRP HH2 991 3.444 6.918 4.703
994 65TRP CZ3 992 3.632 6.917 4.613
995 65TRP HZ3 993 3.633 7.016 4.597
996 65TRP CE3 994 3.740 6.841 4.574
997 65TRP HE3 995 3.819 6.883 4.530
998 65TRP CD2 996 3.736 6.703 4.598
999 65TRP C 997 3.866 6.684 4.287
1000 65TRP O 998 3.758 6.650 4.239
1001 66ASP N 999 3.911 6.809 4.282
1002 66ASP H 1000 4.000 6.831 4.324
1003 66ASP CA 1001 3.835 6.917 4.218
1004 66ASP HA 1002 3.738 6.893 4.230
1005 66ASP CB 1003 3.863 7.051 4.286
1006 66ASP HB1 1004 3.960 7.073 4.275
1007 66ASP HB2 1005 3.842 7.043 4.384
1008 66ASP CG 1006 3.781 7.164 4.228
1009 66ASP OD1 1007 3.714 7.142 4.125
1010 66ASP OD2 1008 3.783 7.275 4.286
1011 66ASP C 1009 3.868 6.924 4.070
1012 66ASP O 1010 3.980 6.957 4.031
1013 67LEU N 1011 3.768 6.894 3.988
1014 67LEU H 1012 3.680 6.868 4.028
1015 67LEU CA 1013 3.783 6.896 3.844
1016 67LEU HA 1014 3.878 6.875 3.824
1017 67LEU CB 1015 3.693 6.791 3.779
1018 67LEU HB1 1016 3.704 6.797 3.680
1019 67LEU HB2 1017 3.598 6.812 3.803
1020 67LEU CG 1018 3.719 6.645 3.819
1021 67LEU HG 1019 3.711 6.638 3.919
1022 67LEU CD1 1020 3.617 6.552 3.756
1023 67LEU HD11 1021 3.636 6.458 3.783
1024 67LEU HD12 1022 3.525 6.578 3.786
1025 67LEU HD13 1023 3.622 6.560 3.656
1026 67LEU CD2 1024 3.860 6.603 3.780
1027 67LEU HD21 1025 3.875 6.508 3.807
1028 67LEU HD22 1026 3.871 6.612 3.681
1029 67LEU HD23 1027 3.926 6.662 3.826
1030 67LEU C 1028 3.749 7.035 3.792
1031 67LEU O 1029 3.733 7.129 3.870
1032 68ASP N 1030 3.742 7.049 3.660
1033 68ASP H 1031 3.757 6.969 3.602
1034 68ASP CA 1032 3.714 7.178 3.599
1035 68ASP HA 1033 3.790 7.238 3.623
1036 68ASP CB 1034 3.709 7.165 3.446
1037 68ASP HB1 1035 3.673 7.249 3.408
1038 68ASP HB2 1036 3.649 7.088 3.423
1039 68ASP CG 1037 3.846 7.139 3.386
1040 68ASP OD1 1038 3.947 7.155 3.458
1041 68ASP OD2 1039 3.852 7.104 3.266
1042 68ASP C 1040 3.582 7.233 3.654
1043 68ASP O 1041 3.507 7.160 3.718
1044 69PRO N 1042 3.555 7.360 3.633
1045 69PRO CD 1043 3.628 7.454 3.540
1046 69PRO HD1 1044 3.613 7.429 3.445
1047 69PRO HD2 1045 3.726 7.455 3.560
1048 69PRO CG 1046 3.564 7.586 3.571
1049 69PRO HG1 1047 3.567 7.646 3.491
1050 69PRO HG2 1048 3.612 7.631 3.647
1051 69PRO CB 1049 3.423 7.557 3.610
1052 69PRO HB1 1050 3.366 7.549 3.528
1053 69PRO HB2 1051 3.387 7.630 3.668
1054 69PRO CA 1052 3.431 7.424 3.686
1055 69PRO HA 1053 3.435 7.436 3.785
1056 69PRO C 1054 3.308 7.339 3.660
1057 69PRO O 1055 3.201 7.363 3.717
1058 70GLU N 1056 3.324 7.236 3.577
1059 70GLU H 1057 3.413 7.221 3.533
1060 70GLU CA 1058 3.214 7.144 3.548
1061 70GLU HA 1059 3.139 7.168 3.610
1062 70GLU CB 1060 3.166 7.161 3.403
1063 70GLU HB1 1061 3.097 7.091 3.385
1064 70GLU HB2 1062 3.245 7.147 3.343
1065 70GLU CG 1063 3.107 7.297 3.373
1066 70GLU HG1 1064 3.096 7.306 3.274
1067 70GLU HG2 1065 3.169 7.368 3.406
1068 70GLU CD 1066 2.971 7.318 3.439
1069 70GLU OE1 1067 2.890 7.223 3.438
1070 70GLU OE2 1068 2.947 7.428 3.491
1071 70GLU C 1069 3.257 7.000 3.574
1072 70GLU O 1070 3.336 6.943 3.498
1073 71VAL N 1071 3.203 6.940 3.680
1074 71VAL H 1072 3.140 6.991 3.738
1075 71VAL CA 1073 3.234 6.802 3.713
1076 71VAL HA 1074 3.321 6.781 3.668
1077 71VAL CB 1075 3.251 6.782 3.865
1078 71VAL HB 1076 3.165 6.806 3.911
1079 71VAL CG1 1077 3.283 6.637 3.896
1080 71VAL HG11 1078 3.294 6.626 3.995
1081 71VAL HG12 1079 3.209 6.578 3.864
1082 71VAL HG13 1080 3.368 6.611 3.850
1083 71VAL CG2 1081 3.360 6.874 3.918
1084 71VAL HG21 1082 3.370 6.860 4.017
1085 71VAL HG22 1083 3.446 6.853 3.872
1086 71VAL HG23 1084 3.335 6.969 3.900
1087 71VAL C 1085 3.123 6.712 3.658
1088 71VAL O 1086 3.024 6.686 3.727
1089 72ARG N 1087 3.140 6.665 3.534
1090 72ARG H 1088 3.223 6.691 3.484
1091 72ARG CA 1089 3.041 6.578 3.470
1092 72ARG HA 1090 2.976 6.554 3.542
1093 72ARG CB 1091 2.971 6.651 3.356
1094 72ARG HB1 1092 2.912 6.586 3.308
1095 72ARG HB2 1093 3.040 6.686 3.293
1096 72ARG CG 1094 2.885 6.768 3.401
1097 72ARG HG1 1095 2.942 6.833 3.452
1098 72ARG HG2 1096 2.812 6.734 3.461
1099 72ARG CD 1097 2.822 6.839 3.283
1100 72ARG HD1 1098 2.758 6.778 3.236
1101 72ARG HD2 1099 2.893 6.869 3.219
1102 72ARG NE 1100 2.747 6.958 3.324
1103 72ARG HE 1101 2.796 7.045 3.329
1104 72ARG CZ 1102 2.618 6.958 3.355
1105 72ARG NH1 1103 2.558 7.071 3.391
1106 72ARG HH11 1104 2.610 7.156 3.395
1107 72ARG HH12 1105 2.461 7.070 3.414
1108 72ARG NH2 1106 2.548 6.845 3.349
1109 72ARG HH21 1107 2.593 6.760 3.322
1110 72ARG HH22 1108 2.451 6.845 3.373
1111 72ARG C 1109 3.107 6.450 3.417
1112 72ARG O 1110 3.224 6.453 3.381
1113 73PRO N 1111 3.036 6.339 3.408
1114 73PRO CD 1112 2.901 6.311 3.463
1115 73PRO HD1 1113 2.835 6.379 3.431
1116 73PRO HD2 1114 2.902 6.310 3.563
1117 73PRO CG 1115 2.868 6.175 3.408
1118 73PRO HG1 1116 2.823 6.183 3.320
1119 73PRO HG2 1117 2.810 6.125 3.472
1120 73PRO CB 1118 2.999 6.105 3.392
1121 73PRO HB1 1119 2.993 6.035 3.320
1122 73PRO HB2 1120 3.026 6.061 3.478
1123 73PRO CA 1121 3.097 6.215 3.353
1124 73PRO HA 1122 3.189 6.200 3.390
1125 73PRO C 1123 3.113 6.226 3.201
1126 73PRO O 1124 3.187 6.148 3.140
1127 74THR N 1125 3.041 6.320 3.140
1128 74THR H 1126 2.982 6.380 3.194
1129 74THR CA 1127 3.046 6.336 2.994
1130 74THR HA 1128 3.053 6.242 2.961
1131 74THR CB 1129 2.918 6.405 2.941
1132 74THR HB 1130 2.904 6.493 2.987
1133 74THR CG2 1131 2.927 6.424 2.791
1134 74THR HG21 1132 2.844 6.469 2.758
1135 74THR HG22 1133 3.006 6.481 2.768
1136 74THR HG23 1134 2.936 6.335 2.746
1137 74THR OG1 1135 2.804 6.325 2.971
1138 74THR HG1 1136 2.722 6.370 2.937
1139 74THR C 1137 3.167 6.416 2.949
1140 74THR O 1138 3.255 6.363 2.882
1141 75SER N 1139 3.168 6.543 2.984
1142 75SER H 1140 3.093 6.580 3.039
1143 75SER CA 1141 3.277 6.631 2.943
1144 75SER HA 1142 3.276 6.629 2.843
1145 75SER CB 1143 3.253 6.773 2.994
1146 75SER HB1 1144 3.332 6.832 2.973
1147 75SER HB2 1145 3.236 6.773 3.092
1148 75SER OG 1146 3.140 6.831 2.931
1149 75SER HG 1147 3.126 6.924 2.966
1150 75SER C 1148 3.410 6.578 2.994
1151 75SER O 1149 3.511 6.585 2.925
1152 76ALA N 1150 3.410 6.524 3.116
1153 76ALA H 1151 3.325 6.521 3.168
1154 76ALA CA 1152 3.532 6.470 3.173
1155 76ALA HA 1153 3.595 6.547 3.184
1156 76ALA CB 1154 3.504 6.408 3.309
1157 76ALA HB1 1155 3.589 6.371 3.347
1158 76ALA HB2 1156 3.468 6.478 3.370
1159 76ALA HB3 1157 3.437 6.334 3.299
1160 76ALA C 1158 3.593 6.366 3.078
1161 76ALA O 1159 3.705 6.384 3.030
1162 77VAL N 1160 3.520 6.258 3.055
1163 77VAL H 1161 3.430 6.249 3.097
1164 77VAL CA 1162 3.570 6.152 2.968
1165 77VAL HA 1163 3.656 6.122 3.009
1166 77VAL CB 1164 3.472 6.033 2.962
1167 77VAL HB 1165 3.381 6.067 2.938
1168 77VAL CG1 1166 3.514 5.934 2.855
1169 77VAL HG11 1167 3.450 5.858 2.852
1170 77VAL HG12 1168 3.516 5.979 2.766
1171 77VAL HG13 1169 3.606 5.900 2.876
1172 77VAL CG2 1170 3.462 5.965 3.098
1173 77VAL HG21 1171 3.398 5.888 3.092
1174 77VAL HG22 1172 3.553 5.931 3.124
1175 77VAL HG23 1173 3.430 6.031 3.166
1176 77VAL C 1174 3.595 6.206 2.827
1177 77VAL O 1175 3.702 6.185 2.771
1178 78ALA N 1176 3.497 6.277 2.772
1179 78ALA H 1177 3.412 6.291 2.823
1180 78ALA CA 1178 3.512 6.335 2.639
1181 78ALA HA 1179 3.543 6.261 2.580
1182 78ALA CB 1180 3.379 6.388 2.589
1183 78ALA HB1 1181 3.390 6.427 2.498
1184 78ALA HB2 1182 3.313 6.312 2.585
1185 78ALA HB3 1183 3.345 6.458 2.651
1186 78ALA C 1184 3.616 6.447 2.641
1187 78ALA O 1185 3.657 6.497 2.537
1188 79ALA N 1186 3.659 6.483 2.762
1189 79ALA H 1187 3.622 6.438 2.843
1190 79ALA CA 1188 3.758 6.589 2.778
1191 79ALA HA 1189 3.839 6.559 2.727
1192 79ALA CB 1190 3.706 6.720 2.720
1193 79ALA HB1 1191 3.775 6.791 2.732
1194 79ALA HB2 1192 3.687 6.708 2.622
1195 79ALA HB3 1193 3.622 6.746 2.767
1196 79ALA C 1194 3.794 6.608 2.925
1197 79ALA OC1 1195 3.732 6.692 2.989
1198 79ALA OC2 1196 3.881 6.537 2.972
1199 9.00078 9.00078 9.00078