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HEAD
Added cool quote from Viveca's defense
[gromacs.git]
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aminoacids.hdb
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4df98139c95bc74bd705a48c8576ad5f740fcaab
1
HOH 1
2
2 7 HW OW
3
HO4 1
4
3 10 HW OW
5
ACE 1
6
3 4 HH3 CH3 C O
7
NME 2
8
1 1 H N -C CH3
9
3 4 HH3 CH3 N -C
10
NHE 1
11
2 3 H N -C -CA
12
NH2 1
13
2 3 H N -C -CA
14
ALA 3
15
1 1 H N -C CA
16
1 5 HA CA N CB C
17
3 4 HB CB CA N
18
GLY 2
19
1 1 H N -C CA
20
2 6 HA CA N C
21
SER 4
22
1 1 H N -C CA
23
1 5 HA CA N CB C
24
2 6 HB CB CA OG
25
1 2 HG OG CB CA
26
THR 5
27
1 1 H N -C CA
28
1 5 HA CA N CB C
29
1 5 HB CB CA CG2 OG1
30
3 4 HG2 CG2 CB CA
31
1 2 HG1 OG1 CB CA
32
LEU 6
33
1 1 H N -C CA
34
1 5 HA CA N CB C
35
2 6 HB CB CA CG
36
1 5 HG CG CB CD1 CD2
37
3 4 HD1 CD1 CG CB
38
3 4 HD2 CD2 CG CB
39
ILE 6
40
1 1 H N -C CA
41
1 5 HA CA N CB C
42
1 5 HB CB CA CG2 CG1
43
3 4 HG2 CG2 CB CA
44
2 6 HG1 CG1 CB CD
45
3 4 HD CD CG1 CB
46
VAL 5
47
1 1 H N -C CA
48
1 5 HA CA N CB C
49
1 5 HB CB CA CG1 CG2
50
3 4 HG1 CG1 CB CA
51
3 4 HG2 CG2 CB CA
52
ASN 4
53
1 1 H N -C CA
54
1 5 HA CA N CB C
55
2 6 HB CB CA CG
56
2 3 HD2 ND2 CG CB
57
GLN 5
58
1 1 H N -C CA
59
1 5 HA CA N CB C
60
2 6 HB CB CA CG
61
2 6 HG CG CB CD
62
2 3 HE2 NE2 CD CG
63
ARG 8
64
1 1 H N -C CA
65
1 5 HA CA N CB C
66
2 6 HB CB CA CG
67
2 6 HG CG CB CD
68
2 6 HD CD CG NE
69
1 1 HE NE CD CZ
70
2 3 HH1 NH1 CZ NE
71
2 3 HH2 NH2 CZ NE
72
HID 6
73
1 1 H N -C CA
74
1 5 HA CA N CB C
75
2 6 HB CB CA CG
76
1 1 HD1 ND1 CG CE1
77
1 1 HE1 CE1 ND1 NE2
78
1 1 HD2 CD2 CG NE2
79
HIE 6
80
1 1 H N -C CA
81
1 5 HA CA N CB C
82
2 6 HB CB CA CG
83
1 1 HE1 CE1 ND1 NE2
84
1 1 HE2 NE2 CE1 CD2
85
1 1 HD2 CD2 CG NE2
86
HIP 7
87
1 1 H N -C CA
88
1 5 HA CA N CB C
89
2 6 HB CB CA CG
90
1 1 HD1 ND1 CG CE1
91
1 1 HE1 CE1 ND1 NE2
92
1 1 HE2 NE2 CE1 CD2
93
1 1 HD2 CD2 CG NE2
94
TRP 9
95
1 1 H N -C CA
96
1 5 HA CA N CB C
97
2 6 HB CB CA CG
98
1 1 HD1 CD1 CG NE1
99
1 1 HE1 NE1 CD1 CE2
100
1 1 HZ2 CZ2 CE2 CH2
101
1 1 HH2 CH2 CZ2 CZ3
102
1 1 HZ3 CZ3 CH2 CE3
103
1 1 HE3 CE3 CZ3 CD2
104
PHE 8
105
1 1 H N -C CA
106
1 5 HA CA N CB C
107
2 6 HB CB CA CG
108
1 1 HD1 CD1 CG CE1
109
1 1 HE1 CE1 CD1 CZ
110
1 1 HZ CZ CE1 CE2
111
1 1 HE2 CE2 CZ CD2
112
1 1 HD2 CD2 CG CE2
113
TYR 8
114
1 1 H N -C CA
115
1 5 HA CA N CB C
116
2 6 HB CB CA CG
117
1 1 HD1 CD1 CG CE1
118
1 1 HE1 CE1 CD1 CZ
119
1 2 HH OH CZ CE1
120
1 1 HE2 CE2 CZ CD2
121
1 1 HD2 CD2 CG CE2
122
GLU 4
123
1 1 H N -C CA
124
1 5 HA CA N CB C
125
2 6 HB CB CA CG
126
2 6 HG CG CB CD
127
ASP 3
128
1 1 H N -C CA
129
1 5 HA CA N CB C
130
2 6 HB CB CA CG
131
LYS 7
132
1 1 H N -C CA
133
1 5 HA CA N CB C
134
2 6 HB CB CA CG
135
2 6 HG CG CB CD
136
2 6 HD CD CG CE
137
2 6 HE CE CD NZ
138
3 4 HZ NZ CE CD
139
ORN 6
140
1 1 H N -C CA
141
1 5 HA CA N CB C
142
2 6 HB CB CA CG
143
2 6 HG CG CB CD
144
2 6 HD CD CG NE
145
3 4 HE NE CD CG
146
DAB 5
147
1 1 H N -C CA
148
1 5 HA CA N CB C
149
2 6 HB CB CA CG
150
2 6 HG CG CB ND
151
3 4 HD ND CG CB
152
LYN 7
153
1 1 H N -C CA
154
1 5 HA CA N CB C
155
2 6 HB CB CA CG
156
2 6 HG CG CB CD
157
2 6 HD CD CG CE
158
2 6 HE CE CD NZ
159
2 3 HZ NZ CE CD
160
PRO 4
161
2 6 HD CD N CG
162
2 6 HG CG CD CB
163
2 6 HB CB CG CA
164
1 5 HA CA N CB C
165
HYP 5
166
2 6 HD2 CD2 N CG
167
1 5 HG CG CD2 OD1 CB
168
1 2 HD1 OD1 CG CD2
169
2 6 HB CB CG CA
170
1 5 HA CA N CB C
171
CYS 4
172
1 1 H N -C CA
173
1 5 HA CA N CB C
174
2 6 HB CB CA SG
175
1 2 HG SG CB CA
176
CYM 3
177
1 1 H N -C CA
178
1 5 HA CA N CB C
179
2 6 HB CB CA SG
180
CYX 3
181
1 1 H N -C CA
182
1 5 HA CA N CB C
183
2 6 HB CB CA SG
184
CYS2 3
185
1 1 H N -C CA
186
1 5 HA CA N CB C
187
2 6 HB CB CA SG
188
MET 5
189
1 1 H N -C CA
190
1 5 HA CA N CB C
191
2 6 HB CB CA CG
192
2 6 HG CG CB SD
193
3 4 HE CE SD CG
194
ASH 4
195
1 1 H N -C CA
196
1 5 HA CA N CB C
197
2 6 HB CB CA CG
198
1 2 HD2 OD2 CG CB
199
GLH 5
200
1 1 H N -C CA
201
1 5 HA CA N CB C
202
2 6 HB CB CA CG
203
2 6 HG CG CB CD
204
1 2 HE2 OE2 CD CG
205
CALA 4
206
1 1 H N -C CA
207
1 5 HA CA N CB C
208
3 4 HB CB CA N
209
1 1 OC1 C CA OC2
210
CGLY 3
211
1 1 H N -C CA
212
2 6 HA CA N C
213
1 1 OC1 C CA OC2
214
CSER 5
215
1 1 H N -C CA
216
1 5 HA CA N CB C
217
2 6 HB CB CA OG
218
1 2 HG OG CB CA
219
1 1 OC1 C CA OC2
220
CTHR 6
221
1 1 H N -C CA
222
1 5 HA CA N CB C
223
1 5 HB CB CA CG2 OG1
224
3 4 HG2 CG2 CB CA
225
1 2 HG1 OG1 CB CA
226
1 1 OC1 C CA OC2
227
CLEU 7
228
1 1 H N -C CA
229
1 5 HA CA N CB C
230
2 6 HB CB CA CG
231
1 5 HG CG CB CD1 CD2
232
3 4 HD1 CD1 CG CB
233
3 4 HD2 CD2 CG CB
234
1 1 OC1 C CA OC2
235
CILE 7
236
1 1 H N -C CA
237
1 5 HA CA N CB C
238
1 5 HB CB CA CG2 CG1
239
3 4 HG2 CG2 CB CA
240
2 6 HG1 CG1 CB CD
241
3 4 HD CD CG1 CB
242
1 1 OC1 C CA OC2
243
CVAL 6
244
1 1 H N -C CA
245
1 5 HA CA N CB C
246
1 5 HB CB CA CG1 CG2
247
3 4 HG1 CG1 CB CA
248
3 4 HG2 CG2 CB CA
249
1 1 OC1 C CA OC2
250
CASN 5
251
1 1 H N -C CA
252
1 5 HA CA N CB C
253
2 6 HB CB CA CG
254
2 3 HD2 ND2 CG CB
255
1 1 OC1 C CA OC2
256
CGLN 6
257
1 1 H N -C CA
258
1 5 HA CA N CB C
259
2 6 HB CB CA CG
260
2 6 HG CG CB CD
261
2 3 HE2 NE2 CD CG
262
1 1 OC1 C CA OC2
263
CARG 9
264
1 1 H N -C CA
265
1 5 HA CA N CB C
266
2 6 HB CB CA CG
267
2 6 HG CG CB CD
268
2 6 HD CD CG NE
269
1 1 HE NE CD CZ
270
2 3 HH1 NH1 CZ NE
271
2 3 HH2 NH2 CZ NE
272
1 1 OC1 C CA OC2
273
CHID 7
274
1 1 H N -C CA
275
1 5 HA CA N CB C
276
2 6 HB CB CA CG
277
1 1 HD1 ND1 CG CE1
278
1 1 HE1 CE1 ND1 NE2
279
1 1 HD2 CD2 CG NE2
280
1 1 OC1 C CA OC2
281
CHIE 7
282
1 1 H N -C CA
283
1 5 HA CA N CB C
284
2 6 HB CB CA CG
285
1 1 HE1 CE1 ND1 NE2
286
1 1 HE2 NE2 CE1 CD2
287
1 1 HD2 CD2 CG NE2
288
1 1 OC1 C CA OC2
289
CHIP 8
290
1 1 H N -C CA
291
1 5 HA CA N CB C
292
2 6 HB CB CA CG
293
1 1 HD1 ND1 CG CE1
294
1 1 HE1 CE1 ND1 NE2
295
1 1 HE2 NE2 CE1 CD2
296
1 1 HD2 CD2 CG NE2
297
1 1 OC1 C CA OC2
298
CTRP 10
299
1 1 H N -C CA
300
1 5 HA CA N CB C
301
2 6 HB CB CA CG
302
1 1 HD1 CD1 CG NE1
303
1 1 HE1 NE1 CD1 CE2
304
1 1 HZ2 CZ2 CE2 CH2
305
1 1 HH2 CH2 CZ2 CZ3
306
1 1 HZ3 CZ3 CH2 CE3
307
1 1 HE3 CE3 CZ3 CD2
308
1 1 OC1 C CA OC2
309
CPHE 9
310
1 1 H N -C CA
311
1 5 HA CA N CB C
312
2 6 HB CB CA CG
313
1 1 HD1 CD1 CG CE1
314
1 1 HE1 CE1 CD1 CZ
315
1 1 HZ CZ CE1 CE2
316
1 1 HE2 CE2 CZ CD2
317
1 1 HD2 CD2 CG CE2
318
1 1 OC1 C CA OC2
319
CTYR 9
320
1 1 H N -C CA
321
1 5 HA CA N CB C
322
2 6 HB CB CA CG
323
1 1 HD1 CD1 CG CE1
324
1 1 HE1 CE1 CD1 CZ
325
1 2 HH OH CZ CE1
326
1 1 HE2 CE2 CZ CD2
327
1 1 HD2 CD2 CG CE2
328
1 1 OC1 C CA OC2
329
CGLU 5
330
1 1 H N -C CA
331
1 5 HA CA N CB C
332
2 6 HB CB CA CG
333
2 6 HG CG CB CD
334
1 1 OC1 C CA OC2
335
CASP 4
336
1 1 H N -C CA
337
1 5 HA CA N CB C
338
2 6 HB CB CA CG
339
1 1 OC1 C CA OC2
340
CLYS 8
341
1 1 H N -C CA
342
1 5 HA CA N CB C
343
2 6 HB CB CA CG
344
2 6 HG CG CB CD
345
2 6 HD CD CG CE
346
2 6 HE CE CD NZ
347
3 4 HZ NZ CE CD
348
1 1 OC1 C CA OC2
349
CPRO 5
350
2 6 HD CD N CG
351
2 6 HG CG CD CB
352
2 6 HB CB CG CA
353
1 5 HA CA N CB C
354
1 1 OC1 C CA OC2
355
CCYS 5
356
1 1 H N -C CA
357
1 5 HA CA N CB C
358
2 6 HB CB CA SG
359
1 2 HG SG CB CA
360
1 1 OC1 C CA OC2
361
CCYX 4
362
1 1 H N -C CA
363
1 5 HA CA N CB C
364
2 6 HB CB CA SG
365
1 1 OC1 C CA OC2
366
CMET 6
367
1 1 H N -C CA
368
1 5 HA CA N CB C
369
2 6 HB CB CA CG
370
2 6 HG CG CB SD
371
3 4 HE CE SD CG
372
1 1 OC1 C CA OC2
373
NALA 3
374
3 4 H N CA CB
375
1 5 HA CA N CB C
376
3 4 HB CB CA N
377
NGLY 2
378
3 4 H N CA C
379
2 6 HA CA N C
380
NSER 4
381
3 4 H N CA CB
382
1 5 HA CA N CB C
383
2 6 HB CB CA OG
384
1 2 HG OG CB CA
385
NTHR 5
386
3 4 H N CA CB
387
1 5 HA CA N CB C
388
1 5 HB CB CA CG2 OG1
389
3 4 HG2 CG2 CB CA
390
1 2 HG1 OG1 CB CA
391
NLEU 6
392
3 4 H N CA CB
393
1 5 HA CA N CB C
394
2 6 HB CB CA CG
395
1 5 HG CG CB CD1 CD2
396
3 4 HD1 CD1 CG CB
397
3 4 HD2 CD2 CG CB
398
NILE 6
399
3 4 H N CA CB
400
1 5 HA CA N CB C
401
1 5 HB CB CA CG2 CG1
402
3 4 HG2 CG2 CB CA
403
2 6 HG1 CG1 CB CD
404
3 4 HD CD CG1 CB
405
NVAL 5
406
3 4 H N CA CB
407
1 5 HA CA N CB C
408
1 5 HB CB CA CG1 CG2
409
3 4 HG1 CG1 CB CA
410
3 4 HG2 CG2 CB CA
411
NASN 4
412
3 4 H N CA CB
413
1 5 HA CA N CB C
414
2 6 HB CB CA CG
415
2 3 HD2 ND2 CG CB
416
NGLN 5
417
3 4 H N CA CB
418
1 5 HA CA N CB C
419
2 6 HB CB CA CG
420
2 6 HG CG CB CD
421
2 3 HE2 NE2 CD CG
422
NARG 8
423
3 4 H N CA CB
424
1 5 HA CA N CB C
425
2 6 HB CB CA CG
426
2 6 HG CG CB CD
427
2 6 HD CD CG NE
428
1 1 HE NE CD CZ
429
2 3 HH1 NH1 CZ NE
430
2 3 HH2 NH2 CZ NE
431
NHID 6
432
3 4 H N CA CB
433
1 5 HA CA N CB C
434
2 6 HB CB CA CG
435
1 1 HD1 ND1 CG CE1
436
1 1 HE1 CE1 ND1 NE2
437
1 1 HD2 CD2 CG NE2
438
NHIE 6
439
3 4 H N CA CB
440
1 5 HA CA N CB C
441
2 6 HB CB CA CG
442
1 1 HE1 CE1 ND1 NE2
443
1 1 HE2 NE2 CE1 CD2
444
1 1 HD2 CD2 CG NE2
445
NHIP 7
446
3 4 H N CA CB
447
1 5 HA CA N CB C
448
2 6 HB CB CA CG
449
1 1 HD1 ND1 CG CE1
450
1 1 HE1 CE1 ND1 NE2
451
1 1 HE2 NE2 CE1 CD2
452
1 1 HD2 CD2 CG NE2
453
NTRP 9
454
3 4 H N CA CB
455
1 5 HA CA N CB C
456
2 6 HB CB CA CG
457
1 1 HD1 CD1 CG NE1
458
1 1 HE1 NE1 CD1 CE2
459
1 1 HZ2 CZ2 CE2 CH2
460
1 1 HH2 CH2 CZ2 CZ3
461
1 1 HZ3 CZ3 CH2 CE3
462
1 1 HE3 CE3 CZ3 CD2
463
NPHE 8
464
3 4 H N CA CB
465
1 5 HA CA N CB C
466
2 6 HB CB CA CG
467
1 1 HD1 CD1 CG CE1
468
1 1 HE1 CE1 CD1 CZ
469
1 1 HZ CZ CE1 CE2
470
1 1 HE2 CE2 CZ CD2
471
1 1 HD2 CD2 CG CE2
472
NTYR 8
473
3 4 H N CA CB
474
1 5 HA CA N CB C
475
2 6 HB CB CA CG
476
1 1 HD1 CD1 CG CE1
477
1 1 HE1 CE1 CD1 CZ
478
1 2 HH OH CZ CE1
479
1 1 HE2 CE2 CZ CD2
480
1 1 HD2 CD2 CG CE2
481
NGLU 4
482
3 4 H N CA CB
483
1 5 HA CA N CB C
484
2 6 HB CB CA CG
485
2 6 HG CG CB CD
486
NASP 3
487
3 4 H N CA CB
488
1 5 HA CA N CB C
489
2 6 HB CB CA CG
490
NLYS 7
491
3 4 H N CA CB
492
1 5 HA CA N CB C
493
2 6 HB CB CA CG
494
2 6 HG CG CB CD
495
2 6 HD CD CG CE
496
2 6 HE CE CD NZ
497
3 4 HZ NZ CE CD
498
NPRO 5
499
2 6 H N CA CD
500
2 6 HD CD N CG
501
2 6 HG CG CD CB
502
2 6 HB CB CG CA
503
1 5 HA CA N CB C
504
NCYS 4
505
3 4 H N CA CB
506
1 5 HA CA N CB C
507
2 6 HB CB CA SG
508
1 2 HG SG CB CA
509
NCYX 3
510
3 4 H N CA CB
511
1 5 HA CA N CB C
512
2 6 HB CB CA SG
513
NMET 5
514
3 4 H N CA CB
515
1 5 HA CA N CB C
516
2 6 HB CB CA CG
517
2 6 HG CG CB SD
518
3 4 HE CE SD CG