Mercurial > repos > chemteam > gmx_sim

comparison test-data/processed.gro @ 0:1a5960636405 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:48:44 -0400
parents
children a97dcfc23b4b
comparison
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-1:000000000000 0:1a5960636405
1 LYSOZYME
2 2194
3 1LYS N 1 3.536 2.234 -1.198
4 1LYS H1 2 3.612 2.288 -1.236
5 1LYS H2 3 3.470 2.214 -1.270
6 1LYS H3 4 3.492 2.286 -1.125
7 1LYS CA 5 3.589 2.107 -1.143
8 1LYS HA 6 3.633 2.055 -1.216
9 1LYS CB 7 3.687 2.144 -1.031
10 1LYS HB1 8 3.763 2.195 -1.070
11 1LYS HB2 9 3.639 2.201 -0.964
12 1LYS CG 10 3.745 2.025 -0.956
13 1LYS HG1 11 3.676 1.989 -0.894
14 1LYS HG2 12 3.770 1.954 -1.023
15 1LYS CD 13 3.869 2.065 -0.877
16 1LYS HD1 14 3.945 2.083 -0.940
17 1LYS HD2 15 3.849 2.147 -0.824
18 1LYS CE 16 3.906 1.951 -0.784
19 1LYS HE1 17 3.841 1.946 -0.708
20 1LYS HE2 18 3.906 1.864 -0.833
21 1LYS NZ 19 4.042 1.977 -0.730
22 1LYS HZ1 20 4.069 1.903 -0.668
23 1LYS HZ2 21 4.108 1.982 -0.806
24 1LYS HZ3 22 4.042 2.064 -0.680
25 1LYS C 23 3.474 2.026 -1.084
26 1LYS O 24 3.395 2.081 -1.008
27 2VAL N 25 3.474 1.896 -1.104
28 2VAL H 26 3.536 1.860 -1.174
29 2VAL CA 27 3.390 1.800 -1.033
30 2VAL HA 28 3.317 1.852 -0.990
31 2VAL CB 29 3.314 1.703 -1.123
32 2VAL HB 30 3.386 1.652 -1.170
33 2VAL CG1 31 3.225 1.608 -1.043
34 2VAL HG11 32 3.177 1.547 -1.106
35 2VAL HG12 33 3.282 1.555 -0.981
36 2VAL HG13 34 3.158 1.661 -0.991
37 2VAL CG2 35 3.229 1.771 -1.229
38 2VAL HG21 36 3.183 1.702 -1.284
39 2VAL HG22 37 3.162 1.830 -1.185
40 2VAL HG23 38 3.288 1.827 -1.288
41 2VAL C 39 3.480 1.731 -0.929
42 2VAL O 40 3.576 1.661 -0.966
43 3PHE N 41 3.449 1.755 -0.804
44 3PHE H 42 3.375 1.819 -0.784
45 3PHE CA 43 3.519 1.690 -0.692
46 3PHE HA 44 3.615 1.697 -0.717
47 3PHE CB 45 3.497 1.763 -0.559
48 3PHE HB1 46 3.405 1.802 -0.558
49 3PHE HB2 47 3.506 1.698 -0.484
50 3PHE CG 48 3.594 1.874 -0.538
51 3PHE CD1 49 3.567 2.005 -0.580
52 3PHE HD1 50 3.481 2.025 -0.627
53 3PHE CD2 51 3.700 1.856 -0.447
54 3PHE HD2 52 3.713 1.766 -0.405
55 3PHE CE1 53 3.658 2.108 -0.557
56 3PHE HE1 54 3.648 2.195 -0.604
57 3PHE CE2 55 3.787 1.959 -0.416
58 3PHE HE2 56 3.866 1.942 -0.357
59 3PHE CZ 57 3.764 2.087 -0.467
60 3PHE HZ 58 3.822 2.164 -0.439
61 3PHE C 59 3.474 1.544 -0.677
62 3PHE O 60 3.352 1.516 -0.686
63 4GLY N 61 3.572 1.464 -0.633
64 4GLY H 62 3.667 1.495 -0.632
65 4GLY CA 63 3.537 1.328 -0.587
66 4GLY HA1 64 3.462 1.292 -0.643
67 4GLY HA2 65 3.616 1.268 -0.594
68 4GLY C 66 3.492 1.342 -0.442
69 4GLY O 67 3.530 1.440 -0.378
70 5ARG N 68 3.405 1.254 -0.397
71 5ARG H 69 3.371 1.184 -0.460
72 5ARG CA 70 3.356 1.254 -0.259
73 5ARG HA 71 3.298 1.334 -0.252
74 5ARG CB 72 3.276 1.126 -0.233
75 5ARG HB1 73 3.200 1.122 -0.297
76 5ARG HB2 74 3.336 1.047 -0.247
77 5ARG CG 75 3.221 1.120 -0.092
78 5ARG HG1 76 3.297 1.117 -0.027
79 5ARG HG2 77 3.165 1.201 -0.075
80 5ARG CD 78 3.138 1.000 -0.072
81 5ARG HD1 79 3.104 0.999 0.022
82 5ARG HD2 80 3.060 1.005 -0.135
83 5ARG NE 81 3.206 0.875 -0.096
84 5ARG HE 82 3.202 0.840 -0.189
85 5ARG CZ 83 3.273 0.801 -0.010
86 5ARG NH1 84 3.284 0.833 0.119
87 5ARG HH11 85 3.239 0.916 0.153
88 5ARG HH12 86 3.336 0.775 0.181
89 5ARG NH2 87 3.325 0.684 -0.053
90 5ARG HH21 88 3.311 0.655 -0.147
91 5ARG HH22 89 3.376 0.626 0.010
92 5ARG C 90 3.467 1.273 -0.156
93 5ARG O 91 3.467 1.365 -0.070
94 6CYS N 92 3.567 1.185 -0.161
95 6CYS H 93 3.567 1.116 -0.233
96 6CYS CA 94 3.678 1.187 -0.065
97 6CYS HA 95 3.631 1.202 0.022
98 6CYS CB 96 3.749 1.053 -0.062
99 6CYS HB1 97 3.770 1.034 -0.158
100 6CYS HB2 98 3.834 1.072 -0.013
101 6CYS SG 99 3.654 0.920 0.014
102 6CYS C 100 3.775 1.305 -0.078
103 6CYS O 101 3.815 1.361 0.026
104 7GLU N 102 3.786 1.348 -0.202
105 7GLU H 103 3.740 1.300 -0.276
106 7GLU CA 104 3.868 1.469 -0.231
107 7GLU HA 105 3.960 1.455 -0.193
108 7GLU CB 106 3.878 1.485 -0.382
109 7GLU HB1 107 3.923 1.402 -0.417
110 7GLU HB2 108 3.785 1.489 -0.417
111 7GLU CG 109 3.954 1.605 -0.438
112 7GLU HG1 110 3.913 1.687 -0.399
113 7GLU HG2 111 4.049 1.598 -0.407
114 7GLU CD 112 3.958 1.624 -0.587
115 7GLU OE1 113 3.867 1.564 -0.649
116 7GLU OE2 114 4.042 1.695 -0.638
117 7GLU C 115 3.805 1.593 -0.166
118 7GLU O 116 3.874 1.673 -0.101
119 8LEU N 117 3.674 1.605 -0.182
120 8LEU H 118 3.626 1.535 -0.235
121 8LEU CA 119 3.596 1.716 -0.125
122 8LEU HA 120 3.640 1.801 -0.156
123 8LEU CB 121 3.453 1.717 -0.181
124 8LEU HB1 122 3.457 1.722 -0.281
125 8LEU HB2 123 3.406 1.633 -0.153
126 8LEU CG 124 3.372 1.835 -0.131
127 8LEU HG 125 3.378 1.842 -0.031
128 8LEU CD1 126 3.430 1.966 -0.184
129 8LEU HD11 127 3.376 2.043 -0.150
130 8LEU HD12 128 3.524 1.975 -0.153
131 8LEU HD13 129 3.427 1.965 -0.284
132 8LEU CD2 130 3.225 1.814 -0.160
133 8LEU HD21 131 3.172 1.893 -0.126
134 8LEU HD22 132 3.211 1.805 -0.258
135 8LEU HD23 133 3.193 1.731 -0.114
136 8LEU C 134 3.605 1.713 0.027
137 8LEU O 135 3.616 1.817 0.092
138 9ALA N 136 3.575 1.598 0.083
139 9ALA H 137 3.546 1.522 0.024
140 9ALA CA 138 3.584 1.576 0.228
141 9ALA HA 139 3.508 1.626 0.269
142 9ALA CB 140 3.566 1.429 0.262
143 9ALA HB1 141 3.572 1.416 0.361
144 9ALA HB2 142 3.476 1.398 0.230
145 9ALA HB3 143 3.637 1.375 0.218
146 9ALA C 144 3.714 1.631 0.284
147 9ALA O 145 3.715 1.698 0.390
148 10ALA N 146 3.827 1.598 0.220
149 10ALA H 147 3.820 1.539 0.140
150 10ALA CA 148 3.961 1.643 0.262
151 10ALA HA 149 3.969 1.619 0.358
152 10ALA CB 150 4.071 1.571 0.184
153 10ALA HB1 151 4.160 1.603 0.215
154 10ALA HB2 152 4.064 1.472 0.201
155 10ALA HB3 153 4.060 1.589 0.086
156 10ALA C 154 3.974 1.794 0.246
157 10ALA O 155 4.019 1.850 0.347
158 11ALA N 156 3.923 1.852 0.139
159 11ALA H 157 3.881 1.795 0.067
160 11ALA CA 158 3.926 1.998 0.122
161 11ALA HA 159 4.023 2.023 0.133
162 11ALA CB 160 3.887 2.042 -0.018
163 11ALA HB1 161 3.891 2.142 -0.024
164 11ALA HB2 162 3.950 2.002 -0.084
165 11ALA HB3 163 3.794 2.011 -0.037
166 11ALA C 164 3.849 2.070 0.232
167 11ALA O 165 3.895 2.166 0.295
168 12MET N 166 3.729 2.021 0.259
169 12MET H 167 3.697 1.942 0.207
170 12MET CA 168 3.640 2.078 0.361
171 12MET HA 169 3.634 2.175 0.339
172 12MET CB 170 3.499 2.021 0.352
173 12MET HB1 171 3.504 1.921 0.348
174 12MET HB2 172 3.446 2.050 0.431
175 12MET CG 173 3.432 2.072 0.227
176 12MET HG1 174 3.432 2.172 0.233
177 12MET HG2 175 3.490 2.044 0.150
178 12MET SD 176 3.263 1.999 0.223
179 12MET CE 177 3.179 2.114 0.114
180 12MET HE1 178 3.084 2.085 0.103
181 12MET HE2 179 3.182 2.205 0.153
182 12MET HE3 180 3.224 2.114 0.025
183 12MET C 181 3.699 2.072 0.501
184 12MET O 182 3.691 2.164 0.584
185 13LYS N 183 3.769 1.963 0.531
186 13LYS H 184 3.774 1.891 0.462
187 13LYS CA 185 3.839 1.939 0.658
188 13LYS HA 186 3.775 1.946 0.735
189 13LYS CB 187 3.893 1.795 0.657
190 13LYS HB1 188 3.816 1.732 0.650
191 13LYS HB2 189 3.952 1.785 0.577
192 13LYS CG 190 3.974 1.755 0.780
193 13LYS HG1 191 4.051 1.699 0.750
194 13LYS HG2 192 4.009 1.839 0.823
195 13LYS CD 193 3.897 1.678 0.883
196 13LYS HD1 194 3.922 1.711 0.974
197 13LYS HD2 195 3.799 1.691 0.868
198 13LYS CE 196 3.929 1.531 0.875
199 13LYS HE1 197 3.968 1.510 0.785
200 13LYS HE2 198 3.996 1.507 0.946
201 13LYS NZ 199 3.808 1.446 0.895
202 13LYS HZ1 200 3.833 1.350 0.888
203 13LYS HZ2 201 3.768 1.465 0.985
204 13LYS HZ3 202 3.740 1.468 0.824
205 13LYS C 203 3.946 2.047 0.673
206 13LYS O 204 3.951 2.114 0.778
207 14ARG N 205 4.027 2.063 0.569
208 14ARG H 206 4.011 2.009 0.486
209 14ARG CA 207 4.139 2.158 0.571
210 14ARG HA 208 4.189 2.135 0.655
211 14ARG CB 209 4.239 2.135 0.460
212 14ARG HB1 210 4.328 2.162 0.495
213 14ARG HB2 211 4.239 2.037 0.440
214 14ARG CG 212 4.217 2.208 0.329
215 14ARG HG1 213 4.145 2.162 0.277
216 14ARG HG2 214 4.190 2.302 0.347
217 14ARG CD 215 4.344 2.207 0.249
218 14ARG HD1 216 4.336 2.269 0.171
219 14ARG HD2 217 4.421 2.237 0.306
220 14ARG NE 218 4.369 2.071 0.201
221 14ARG HE 219 4.430 2.011 0.253
222 14ARG CZ 220 4.310 2.026 0.089
223 14ARG NH1 221 4.269 2.119 0.002
224 14ARG HH11 222 4.284 2.216 0.022
225 14ARG HH12 223 4.225 2.091 -0.083
226 14ARG NH2 224 4.295 1.896 0.069
227 14ARG HH21 225 4.328 1.830 0.137
228 14ARG HH22 226 4.251 1.863 -0.015
229 14ARG C 227 4.093 2.302 0.588
230 14ARG O 228 4.156 2.383 0.658
231 15HIS N 229 3.968 2.325 0.546
232 15HIS H 230 3.914 2.249 0.510
233 15HIS CA 231 3.908 2.459 0.553
234 15HIS HA 232 3.988 2.519 0.554
235 15HIS CB 233 3.822 2.492 0.428
236 15HIS HB1 234 3.773 2.410 0.398
237 15HIS HB2 235 3.757 2.564 0.450
238 15HIS CG 236 3.908 2.539 0.317
239 15HIS ND1 237 3.946 2.464 0.209
240 15HIS CD2 238 3.974 2.657 0.299
241 15HIS HD2 239 3.966 2.739 0.356
242 15HIS CE1 240 4.021 2.531 0.126
243 15HIS HE1 241 4.049 2.504 0.034
244 15HIS NE2 242 4.052 2.642 0.189
245 15HIS HE2 243 4.124 2.706 0.160
246 15HIS C 244 3.831 2.486 0.681
247 15HIS O 245 3.761 2.588 0.695
248 16GLY N 246 3.830 2.393 0.772
249 16GLY H 247 3.869 2.305 0.746
250 16GLY CA 248 3.776 2.402 0.907
251 16GLY HA1 249 3.825 2.334 0.962
252 16GLY HA2 250 3.799 2.494 0.940
253 16GLY C 251 3.626 2.380 0.921
254 16GLY O 252 3.565 2.440 1.013
255 17LEU N 253 3.566 2.307 0.827
256 17LEU H 254 3.622 2.270 0.753
257 17LEU CA 255 3.424 2.280 0.830
258 17LEU HA 256 3.386 2.364 0.869
259 17LEU CB 257 3.365 2.265 0.690
260 17LEU HB1 258 3.425 2.204 0.639
261 17LEU HB2 259 3.275 2.222 0.700
262 17LEU CG 260 3.345 2.389 0.606
263 17LEU HG 261 3.433 2.436 0.598
264 17LEU CD1 262 3.293 2.342 0.470
265 17LEU HD11 263 3.279 2.421 0.411
266 17LEU HD12 264 3.360 2.281 0.429
267 17LEU HD13 265 3.207 2.293 0.483
268 17LEU CD2 266 3.256 2.495 0.668
269 17LEU HD21 267 3.248 2.573 0.606
270 17LEU HD22 268 3.165 2.456 0.684
271 17LEU HD23 269 3.295 2.525 0.755
272 17LEU C 270 3.385 2.168 0.927
273 17LEU O 271 3.264 2.159 0.955
274 18ASP N 272 3.478 2.081 0.961
275 18ASP H 273 3.571 2.091 0.923
276 18ASP CA 274 3.449 1.972 1.053
277 18ASP HA 275 3.372 1.928 1.007
278 18ASP CB 276 3.556 1.863 1.060
279 18ASP HB1 277 3.583 1.838 0.967
280 18ASP HB2 278 3.635 1.898 1.110
281 18ASP CG 279 3.502 1.741 1.131
282 18ASP OD1 280 3.381 1.715 1.145
283 18ASP OD2 281 3.592 1.660 1.166
284 18ASP C 282 3.401 2.022 1.190
285 18ASP O 283 3.483 2.078 1.266
286 19ASN N 284 3.275 1.999 1.220
287 19ASN H 285 3.219 1.949 1.155
288 19ASN CA 286 3.212 2.043 1.345
289 19ASN HA 287 3.129 1.989 1.334
290 19ASN CB 288 3.277 2.000 1.477
291 19ASN HB1 289 3.274 1.901 1.481
292 19ASN HB2 290 3.372 2.031 1.475
293 19ASN CG 291 3.216 2.051 1.606
294 19ASN OD1 292 3.097 2.027 1.635
295 19ASN ND2 293 3.285 2.136 1.685
296 19ASN HD21 294 3.376 2.166 1.659
297 19ASN HD22 295 3.244 2.169 1.770
298 19ASN C 296 3.185 2.194 1.350
299 19ASN O 297 3.143 2.240 1.457
300 20TYR N 298 3.197 2.265 1.241
301 20TYR H 299 3.224 2.220 1.155
302 20TYR CA 300 3.171 2.410 1.241
303 20TYR HA 301 3.230 2.450 1.311
304 20TYR CB 302 3.207 2.474 1.107
305 20TYR HB1 303 3.298 2.443 1.080
306 20TYR HB2 304 3.141 2.445 1.038
307 20TYR CG 305 3.206 2.625 1.114
308 20TYR CD1 306 3.314 2.689 1.176
309 20TYR HD1 307 3.387 2.634 1.218
310 20TYR CD2 308 3.098 2.700 1.069
311 20TYR HD2 309 3.018 2.655 1.030
312 20TYR CE1 310 3.321 2.828 1.179
313 20TYR HE1 311 3.404 2.874 1.211
314 20TYR CE2 312 3.102 2.840 1.078
315 20TYR HE2 313 3.027 2.895 1.041
316 20TYR CZ 314 3.210 2.902 1.138
317 20TYR OH 315 3.214 3.037 1.153
318 20TYR HH 316 3.128 3.076 1.119
319 20TYR C 317 3.023 2.434 1.276
320 20TYR O 318 2.929 2.387 1.212
321 21ARG N 319 3.009 2.514 1.380
322 21ARG H 320 3.091 2.548 1.426
323 21ARG CA 321 2.877 2.555 1.432
324 21ARG HA 322 2.897 2.605 1.516
325 21ARG CB 323 2.801 2.657 1.345
326 21ARG HB1 324 2.808 2.627 1.250
327 21ARG HB2 325 2.705 2.656 1.373
328 21ARG CG 326 2.851 2.799 1.354
329 21ARG HG1 327 2.951 2.798 1.350
330 21ARG HG2 328 2.815 2.849 1.274
331 21ARG CD 329 2.811 2.875 1.477
332 21ARG HD1 330 2.747 2.949 1.454
333 21ARG HD2 331 2.769 2.815 1.544
334 21ARG NE 332 2.932 2.932 1.532
335 21ARG HE 333 2.954 2.891 1.621
336 21ARG CZ 334 3.022 3.023 1.498
337 21ARG NH1 335 3.150 2.986 1.485
338 21ARG HH11 336 3.176 2.890 1.501
339 21ARG HH12 337 3.220 3.053 1.459
340 21ARG NH2 338 2.994 3.144 1.449
341 21ARG HH21 339 2.899 3.172 1.437
342 21ARG HH22 340 3.068 3.206 1.426
343 21ARG C 341 2.796 2.431 1.462
344 21ARG O 342 2.673 2.433 1.461
345 22GLY N 343 2.869 2.325 1.500
346 22GLY H 344 2.968 2.330 1.492
347 22GLY CA 345 2.810 2.202 1.552
348 22GLY HA1 346 2.877 2.161 1.615
349 22GLY HA2 347 2.728 2.227 1.602
350 22GLY C 348 2.775 2.102 1.444
351 22GLY O 349 2.708 2.002 1.478
352 23TYR N 350 2.821 2.123 1.322
353 23TYR H 351 2.879 2.203 1.304
354 23TYR CA 352 2.789 2.032 1.211
355 23TYR HA 353 2.720 1.970 1.250
356 23TYR CB 354 2.735 2.111 1.091
357 23TYR HB1 355 2.800 2.183 1.070
358 23TYR HB2 356 2.727 2.049 1.013
359 23TYR CG 357 2.600 2.174 1.113
360 23TYR CD1 358 2.485 2.096 1.114
361 23TYR HD1 359 2.491 1.998 1.094
362 23TYR CD2 360 2.590 2.310 1.146
363 23TYR HD2 361 2.672 2.366 1.150
364 23TYR CE1 362 2.360 2.152 1.142
365 23TYR HE1 363 2.278 2.095 1.142
366 23TYR CE2 364 2.465 2.367 1.173
367 23TYR HE2 365 2.458 2.465 1.193
368 23TYR CZ 366 2.352 2.288 1.170
369 23TYR OH 367 2.229 2.344 1.191
370 23TYR HH 368 2.239 2.441 1.210
371 23TYR C 369 2.912 1.953 1.163
372 23TYR O 370 3.004 2.019 1.114
373 24SER N 371 2.903 1.822 1.181
374 24SER H 372 2.820 1.783 1.222
375 24SER CA 373 3.014 1.735 1.141
376 24SER HA 374 3.095 1.771 1.187
377 24SER CB 375 2.992 1.593 1.191
378 24SER HB1 376 3.071 1.536 1.169
379 24SER HB2 377 2.977 1.593 1.290
380 24SER OG 378 2.880 1.534 1.131
381 24SER HG 379 2.869 1.441 1.166
382 24SER C 380 3.036 1.738 0.989
383 24SER O 381 2.944 1.769 0.914
384 25LEU N 382 3.159 1.703 0.954
385 25LEU H 383 3.223 1.671 1.024
386 25LEU CA 384 3.204 1.709 0.814
387 25LEU HA 385 3.208 1.805 0.787
388 25LEU CB 386 3.341 1.641 0.808
389 25LEU HB1 387 3.403 1.686 0.872
390 25LEU HB2 388 3.331 1.545 0.834
391 25LEU CG 389 3.401 1.648 0.669
392 25LEU HG 390 3.342 1.602 0.602
393 25LEU CD1 391 3.417 1.793 0.629
394 25LEU HD11 392 3.457 1.798 0.537
395 25LEU HD12 393 3.328 1.837 0.629
396 25LEU HD13 394 3.478 1.839 0.694
397 25LEU CD2 395 3.540 1.581 0.675
398 25LEU HD21 396 3.582 1.584 0.585
399 25LEU HD22 397 3.597 1.630 0.741
400 25LEU HD23 398 3.530 1.486 0.704
401 25LEU C 399 3.103 1.644 0.718
402 25LEU O 400 3.087 1.692 0.606
403 26GLY N 401 3.050 1.528 0.758
404 26GLY H 402 3.077 1.490 0.846
405 26GLY CA 403 2.954 1.456 0.676
406 26GLY HA1 404 3.004 1.422 0.596
407 26GLY HA2 405 2.921 1.379 0.730
408 26GLY C 406 2.834 1.538 0.628
409 26GLY O 407 2.789 1.525 0.512
410 27ASN N 408 2.790 1.628 0.716
411 27ASN H 409 2.833 1.631 0.806
412 27ASN CA 410 2.683 1.723 0.686
413 27ASN HA 411 2.602 1.667 0.668
414 27ASN CB 412 2.648 1.813 0.805
415 27ASN HB1 413 2.732 1.846 0.849
416 27ASN HB2 414 2.594 1.891 0.775
417 27ASN CG 415 2.568 1.727 0.905
418 27ASN OD1 416 2.451 1.693 0.882
419 27ASN ND2 417 2.635 1.705 1.017
420 27ASN HD21 418 2.726 1.743 1.029
421 27ASN HD22 419 2.594 1.651 1.090
422 27ASN C 420 2.716 1.801 0.560
423 27ASN O 421 2.632 1.821 0.472
424 28TRP N 422 2.834 1.859 0.558
425 28TRP H 423 2.896 1.842 0.635
426 28TRP CA 424 2.883 1.947 0.451
427 28TRP HA 425 2.816 2.019 0.432
428 28TRP CB 426 3.010 2.014 0.502
429 28TRP HB1 427 3.078 1.943 0.523
430 28TRP HB2 428 3.046 2.074 0.430
431 28TRP CG 429 2.994 2.098 0.625
432 28TRP CD1 430 3.018 2.062 0.755
433 28TRP HD1 431 3.049 1.972 0.785
434 28TRP CD2 432 2.932 2.228 0.629
435 28TRP NE1 433 2.992 2.169 0.836
436 28TRP HE1 434 3.014 2.173 0.934
437 28TRP CE2 435 2.934 2.268 0.764
438 28TRP CE3 436 2.889 2.317 0.530
439 28TRP HE3 437 2.895 2.292 0.433
440 28TRP CZ2 438 2.891 2.394 0.804
441 28TRP HZ2 439 2.895 2.424 0.899
442 28TRP CZ3 440 2.840 2.440 0.568
443 28TRP HZ3 441 2.802 2.503 0.500
444 28TRP CH2 442 2.843 2.477 0.702
445 28TRP HH2 443 2.809 2.567 0.728
446 28TRP C 444 2.894 1.874 0.318
447 28TRP O 445 2.874 1.932 0.209
448 29VAL N 446 2.957 1.754 0.326
449 29VAL H 447 2.993 1.722 0.414
450 29VAL CA 448 2.973 1.671 0.205
451 29VAL HA 449 3.017 1.729 0.136
452 29VAL CB 450 3.065 1.549 0.236
453 29VAL HB 451 3.028 1.492 0.309
454 29VAL CG1 452 3.078 1.460 0.114
455 29VAL HG11 453 3.137 1.382 0.135
456 29VAL HG12 454 2.988 1.426 0.087
457 29VAL HG13 455 3.118 1.512 0.038
458 29VAL CG2 456 3.201 1.605 0.277
459 29VAL HG21 457 3.263 1.529 0.298
460 29VAL HG22 458 3.239 1.659 0.202
461 29VAL HG23 459 3.190 1.663 0.358
462 29VAL C 460 2.838 1.634 0.143
463 29VAL O 461 2.817 1.650 0.023
464 30CYS N 462 2.750 1.591 0.230
465 30CYS H 463 2.780 1.580 0.325
466 30CYS CA 464 2.612 1.557 0.199
467 30CYS HA 465 2.620 1.480 0.136
468 30CYS CB 466 2.534 1.505 0.317
469 30CYS HB1 467 2.594 1.436 0.358
470 30CYS HB2 468 2.527 1.583 0.379
471 30CYS SG 469 2.372 1.438 0.269
472 30CYS C 470 2.539 1.672 0.130
473 30CYS O 471 2.489 1.652 0.017
474 31ALA N 472 2.553 1.791 0.187
475 31ALA H 473 2.606 1.798 0.272
476 31ALA CA 474 2.495 1.913 0.131
477 31ALA HA 475 2.396 1.897 0.128
478 31ALA CB 476 2.517 2.033 0.220
479 31ALA HB1 477 2.475 2.114 0.178
480 31ALA HB2 478 2.474 2.017 0.309
481 31ALA HB3 479 2.615 2.049 0.232
482 31ALA C 480 2.549 1.935 -0.012
483 31ALA O 481 2.467 1.969 -0.100
484 32ALA N 482 2.681 1.935 -0.029
485 32ALA H 483 2.739 1.922 0.052
486 32ALA CA 484 2.746 1.954 -0.158
487 32ALA HA 485 2.720 2.045 -0.190
488 32ALA CB 486 2.898 1.948 -0.140
489 32ALA HB1 487 2.943 1.960 -0.228
490 32ALA HB2 488 2.927 2.020 -0.077
491 32ALA HB3 489 2.924 1.859 -0.102
492 32ALA C 490 2.694 1.854 -0.262
493 32ALA O 491 2.677 1.886 -0.379
494 33LYS N 492 2.673 1.730 -0.219
495 33LYS H 493 2.691 1.710 -0.123
496 33LYS CA 494 2.626 1.622 -0.304
497 33LYS HA 495 2.697 1.616 -0.374
498 33LYS CB 496 2.622 1.486 -0.235
499 33LYS HB1 497 2.715 1.464 -0.207
500 33LYS HB2 498 2.564 1.495 -0.154
501 33LYS CG 499 2.570 1.370 -0.319
502 33LYS HG1 500 2.570 1.288 -0.261
503 33LYS HG2 501 2.476 1.391 -0.346
504 33LYS CD 502 2.650 1.340 -0.445
505 33LYS HD1 503 2.668 1.425 -0.494
506 33LYS HD2 504 2.736 1.296 -0.420
507 33LYS CE 505 2.569 1.246 -0.533
508 33LYS HE1 506 2.541 1.167 -0.479
509 33LYS HE2 507 2.487 1.295 -0.565
510 33LYS NZ 508 2.642 1.198 -0.652
511 33LYS HZ1 509 2.583 1.137 -0.706
512 33LYS HZ2 510 2.669 1.276 -0.709
513 33LYS HZ3 511 2.724 1.148 -0.623
514 33LYS C 512 2.490 1.656 -0.366
515 33LYS O 513 2.481 1.651 -0.489
516 34PHE N 514 2.397 1.695 -0.282
517 34PHE H 515 2.422 1.713 -0.186
518 34PHE CA 516 2.257 1.712 -0.325
519 34PHE HA 517 2.238 1.652 -0.402
520 34PHE CB 518 2.163 1.667 -0.213
521 34PHE HB1 519 2.191 1.709 -0.127
522 34PHE HB2 520 2.069 1.696 -0.235
523 34PHE CG 521 2.164 1.517 -0.197
524 34PHE CD1 522 2.121 1.435 -0.301
525 34PHE HD1 523 2.078 1.475 -0.382
526 34PHE CD2 524 2.227 1.463 -0.085
527 34PHE HD2 525 2.260 1.523 -0.012
528 34PHE CE1 526 2.137 1.296 -0.291
529 34PHE HE1 527 2.110 1.237 -0.367
530 34PHE CE2 528 2.244 1.324 -0.074
531 34PHE HE2 529 2.293 1.286 0.004
532 34PHE CZ 530 2.192 1.241 -0.174
533 34PHE HZ 531 2.194 1.141 -0.161
534 34PHE C 532 2.235 1.851 -0.384
535 34PHE O 533 2.150 1.869 -0.476
536 35GLU N 534 2.325 1.941 -0.345
537 35GLU H 535 2.397 1.917 -0.280
538 35GLU CA 536 2.318 2.079 -0.400
539 35GLU HA 537 2.218 2.090 -0.400
540 35GLU CB 538 2.370 2.189 -0.311
541 35GLU HB1 539 2.464 2.165 -0.287
542 35GLU HB2 540 2.369 2.273 -0.365
543 35GLU CG 541 2.299 2.221 -0.181
544 35GLU HG1 542 2.290 2.135 -0.131
545 35GLU HG2 543 2.359 2.283 -0.130
546 35GLU CD 544 2.163 2.285 -0.186
547 35GLU OE1 545 2.141 2.336 -0.298
548 35GLU OE2 546 2.095 2.303 -0.087
549 35GLU C 547 2.366 2.094 -0.542
550 35GLU O 548 2.301 2.151 -0.631
551 36SER N 549 2.487 2.048 -0.567
552 36SER H 550 2.531 1.998 -0.493
553 36SER CA 551 2.563 2.062 -0.690
554 36SER HA 552 2.492 2.098 -0.750
555 36SER CB 553 2.683 2.153 -0.665
556 36SER HB1 554 2.732 2.170 -0.751
557 36SER HB2 555 2.654 2.240 -0.626
558 36SER OG 556 2.775 2.095 -0.575
559 36SER HG 557 2.852 2.157 -0.561
560 36SER C 558 2.614 1.934 -0.757
561 36SER O 559 2.675 1.946 -0.864
562 37ASN N 560 2.596 1.822 -0.693
563 37ASN H 561 2.533 1.822 -0.615
564 37ASN CA 562 2.663 1.697 -0.730
565 37ASN HA 563 2.644 1.629 -0.658
566 37ASN CB 564 2.603 1.649 -0.862
567 37ASN HB1 565 2.506 1.674 -0.864
568 37ASN HB2 566 2.651 1.694 -0.937
569 37ASN CG 567 2.616 1.498 -0.878
570 37ASN OD1 568 2.664 1.427 -0.789
571 37ASN ND2 569 2.587 1.451 -0.999
572 37ASN HD21 570 2.559 1.513 -1.072
573 37ASN HD22 571 2.593 1.352 -1.017
574 37ASN C 572 2.815 1.709 -0.730
575 37ASN O 573 2.881 1.663 -0.825
576 38PHE N 574 2.869 1.788 -0.638
577 38PHE H 575 2.809 1.834 -0.573
578 38PHE CA 576 3.013 1.811 -0.628
579 38PHE HA 577 3.018 1.869 -0.546
580 38PHE CB 578 3.091 1.682 -0.605
581 38PHE HB1 579 3.082 1.625 -0.686
582 38PHE HB2 580 3.188 1.706 -0.592
583 38PHE CG 581 3.049 1.601 -0.486
584 38PHE CD1 582 3.010 1.657 -0.366
585 38PHE HD1 583 3.006 1.757 -0.358
586 38PHE CD2 584 3.051 1.460 -0.499
587 38PHE HD2 585 3.078 1.418 -0.585
588 38PHE CE1 586 2.977 1.581 -0.256
589 38PHE HE1 587 2.948 1.625 -0.171
590 38PHE CE2 588 3.014 1.381 -0.389
591 38PHE HE2 589 3.008 1.282 -0.399
592 38PHE CZ 590 2.984 1.441 -0.265
593 38PHE HZ 591 2.967 1.384 -0.184
594 38PHE C 592 3.072 1.890 -0.745
595 38PHE O 593 3.192 1.879 -0.770
596 39ASN N 594 2.994 1.979 -0.803
597 39ASN H 595 2.902 1.994 -0.766
598 39ASN CA 596 3.034 2.057 -0.920
599 39ASN HA 597 3.124 2.025 -0.950
600 39ASN CB 598 2.941 2.030 -1.037
601 39ASN HB1 599 2.926 1.931 -1.042
602 39ASN HB2 600 2.853 2.075 -1.018
603 39ASN CG 601 2.988 2.077 -1.172
604 39ASN OD1 602 3.058 2.175 -1.196
605 39ASN ND2 603 2.958 1.986 -1.265
606 39ASN HD21 604 2.911 1.902 -1.240
607 39ASN HD22 605 2.983 2.003 -1.361
608 39ASN C 606 3.054 2.203 -0.882
609 39ASN O 607 2.954 2.265 -0.842
610 40THR N 608 3.177 2.249 -0.893
611 40THR H 609 3.248 2.186 -0.921
612 40THR CA 610 3.214 2.387 -0.866
613 40THR HA 611 3.166 2.398 -0.779
614 40THR CB 612 3.368 2.410 -0.842
615 40THR HB 613 3.385 2.496 -0.794
616 40THR OG1 614 3.427 2.416 -0.978
617 40THR HG1 615 3.526 2.430 -0.971
618 40THR CG2 616 3.441 2.312 -0.749
619 40THR HG21 617 3.538 2.337 -0.743
620 40THR HG22 618 3.400 2.315 -0.658
621 40THR HG23 619 3.434 2.219 -0.786
622 40THR C 620 3.150 2.489 -0.959
623 40THR O 621 3.132 2.605 -0.921
624 41GLN N 622 3.100 2.443 -1.071
625 41GLN H 623 3.093 2.344 -1.082
626 41GLN CA 624 3.052 2.529 -1.181
627 41GLN HA 625 3.091 2.619 -1.159
628 41GLN CB 626 3.105 2.482 -1.317
629 41GLN HB1 627 3.083 2.385 -1.328
630 41GLN HB2 628 3.060 2.534 -1.389
631 41GLN CG 629 3.255 2.500 -1.328
632 41GLN HG1 630 3.295 2.514 -1.237
633 41GLN HG2 631 3.297 2.421 -1.372
634 41GLN CD 632 3.276 2.624 -1.413
635 41GLN OE1 633 3.236 2.631 -1.529
636 41GLN NE2 634 3.328 2.723 -1.342
637 41GLN HE21 635 3.347 2.710 -1.245
638 41GLN HE22 636 3.347 2.811 -1.386
639 41GLN C 637 2.899 2.538 -1.187
640 41GLN O 638 2.850 2.602 -1.284
641 42ALA N 639 2.833 2.464 -1.101
642 42ALA H 640 2.883 2.412 -1.032
643 42ALA CA 641 2.686 2.458 -1.106
644 42ALA HA 642 2.661 2.426 -1.198
645 42ALA CB 643 2.635 2.360 -1.000
646 42ALA HB1 644 2.536 2.356 -1.003
647 42ALA HB2 645 2.673 2.269 -1.017
648 42ALA HB3 646 2.665 2.392 -0.909
649 42ALA C 647 2.626 2.597 -1.081
650 42ALA O 648 2.664 2.669 -0.988
651 43THR N 649 2.528 2.629 -1.164
652 43THR H 650 2.510 2.569 -1.242
653 43THR CA 651 2.444 2.749 -1.148
654 43THR HA 652 2.463 2.774 -1.052
655 43THR CB 653 2.481 2.873 -1.237
656 43THR HB 654 2.426 2.953 -1.217
657 43THR OG1 655 2.455 2.832 -1.376
658 43THR HG1 656 2.478 2.908 -1.437
659 43THR CG2 657 2.625 2.921 -1.218
660 43THR HG21 658 2.642 3.000 -1.278
661 43THR HG22 659 2.638 2.948 -1.123
662 43THR HG23 660 2.688 2.848 -1.241
663 43THR C 661 2.298 2.711 -1.171
664 43THR O 662 2.272 2.627 -1.259
665 44ASN N 663 2.209 2.774 -1.097
666 44ASN H 664 2.241 2.841 -1.029
667 44ASN CA 665 2.064 2.750 -1.111
668 44ASN HA 666 2.048 2.710 -1.201
669 44ASN CB 667 2.016 2.648 -1.008
670 44ASN HB1 668 2.058 2.560 -1.027
671 44ASN HB2 669 2.042 2.679 -0.917
672 44ASN CG 670 1.865 2.632 -1.012
673 44ASN OD1 671 1.813 2.572 -1.108
674 44ASN ND2 672 1.791 2.693 -0.919
675 44ASN HD21 673 1.835 2.748 -0.848
676 44ASN HD22 674 1.691 2.683 -0.920
677 44ASN C 675 1.990 2.884 -1.096
678 44ASN O 676 2.017 2.960 -1.003
679 45ARG N 677 1.906 2.912 -1.192
680 45ARG H 678 1.892 2.843 -1.264
681 45ARG CA 679 1.830 3.036 -1.202
682 45ARG HA 680 1.884 3.106 -1.154
683 45ARG CB 681 1.814 3.084 -1.346
684 45ARG HB1 682 1.900 3.126 -1.377
685 45ARG HB2 683 1.793 3.005 -1.405
686 45ARG CG 684 1.701 3.186 -1.356
687 45ARG HG1 685 1.677 3.202 -1.451
688 45ARG HG2 686 1.621 3.153 -1.307
689 45ARG CD 687 1.750 3.313 -1.293
690 45ARG HD1 688 1.674 3.373 -1.268
691 45ARG HD2 689 1.806 3.295 -1.212
692 45ARG NE 690 1.831 3.376 -1.398
693 45ARG HE 691 1.931 3.380 -1.393
694 45ARG CZ 692 1.762 3.427 -1.502
695 45ARG NH1 693 1.629 3.433 -1.510
696 45ARG HH11 694 1.573 3.398 -1.435
697 45ARG HH12 695 1.585 3.473 -1.591
698 45ARG NH2 696 1.837 3.470 -1.603
699 45ARG HH21 697 1.937 3.462 -1.598
700 45ARG HH22 698 1.794 3.509 -1.684
701 45ARG C 699 1.696 3.016 -1.133
702 45ARG O 700 1.640 2.906 -1.143
703 46ASN N 701 1.655 3.117 -1.055
704 46ASN H 702 1.710 3.200 -1.050
705 46ASN CA 703 1.530 3.107 -0.978
706 46ASN HA 704 1.495 3.015 -0.992
707 46ASN CB 705 1.558 3.123 -0.830
708 46ASN HB1 706 1.595 3.215 -0.815
709 46ASN HB2 707 1.470 3.114 -0.781
710 46ASN CG 708 1.654 3.024 -0.768
711 46ASN OD1 709 1.766 3.066 -0.735
712 46ASN ND2 710 1.612 2.898 -0.760
713 46ASN HD21 711 1.522 2.873 -0.794
714 46ASN HD22 712 1.672 2.828 -0.720
715 46ASN C 713 1.426 3.206 -1.031
716 46ASN O 714 1.462 3.310 -1.088
717 47THR N 715 1.303 3.183 -0.989
718 47THR H 716 1.288 3.105 -0.928
719 47THR CA 717 1.187 3.265 -1.025
720 47THR HA 718 1.194 3.266 -1.124
721 47THR CB 719 1.050 3.202 -0.979
722 47THR HB 720 0.969 3.245 -1.018
723 47THR OG1 721 1.051 3.220 -0.834
724 47THR HG1 722 0.967 3.182 -0.796
725 47THR CG2 723 1.033 3.055 -1.019
726 47THR HG21 724 0.944 3.022 -0.987
727 47THR HG22 725 1.038 3.047 -1.118
728 47THR HG23 726 1.106 3.001 -0.977
729 47THR C 727 1.200 3.411 -0.981
730 47THR O 728 1.160 3.497 -1.061
731 48ASP N 729 1.263 3.438 -0.868
732 48ASP H 730 1.295 3.360 -0.814
733 48ASP CA 731 1.288 3.572 -0.817
734 48ASP HA 732 1.204 3.616 -0.847
735 48ASP CB 733 1.302 3.573 -0.664
736 48ASP HB1 734 1.294 3.668 -0.632
737 48ASP HB2 735 1.229 3.518 -0.624
738 48ASP CG 736 1.437 3.517 -0.617
739 48ASP OD1 737 1.510 3.460 -0.699
740 48ASP OD2 738 1.475 3.544 -0.501
741 48ASP C 739 1.401 3.651 -0.882
742 48ASP O 740 1.425 3.762 -0.831
743 49GLY N 741 1.465 3.602 -0.986
744 49GLY H 742 1.437 3.512 -1.021
745 49GLY CA 743 1.574 3.670 -1.055
746 49GLY HA1 744 1.565 3.650 -1.152
747 49GLY HA2 745 1.561 3.768 -1.039
748 49GLY C 746 1.715 3.632 -1.010
749 49GLY O 747 1.817 3.669 -1.069
750 50SER N 748 1.717 3.566 -0.893
751 50SER H 749 1.631 3.546 -0.848
752 50SER CA 750 1.844 3.523 -0.828
753 50SER HA 751 1.910 3.595 -0.842
754 50SER CB 752 1.827 3.509 -0.678
755 50SER HB1 753 1.916 3.501 -0.634
756 50SER HB2 754 1.778 3.588 -0.641
757 50SER OG 755 1.753 3.393 -0.646
758 50SER HG 756 1.743 3.386 -0.547
759 50SER C 757 1.898 3.396 -0.894
760 50SER O 758 1.827 3.326 -0.970
761 51THR N 759 2.027 3.377 -0.873
762 51THR H 760 2.079 3.446 -0.824
763 51THR CA 761 2.097 3.256 -0.920
764 51THR HA 762 2.029 3.189 -0.951
765 51THR CB 763 2.190 3.291 -1.042
766 51THR HB 764 2.262 3.357 -1.019
767 51THR OG1 765 2.110 3.358 -1.141
768 51THR HG1 766 2.167 3.381 -1.220
769 51THR CG2 767 2.269 3.170 -1.095
770 51THR HG21 768 2.326 3.198 -1.172
771 51THR HG22 769 2.326 3.133 -1.022
772 51THR HG23 770 2.204 3.100 -1.126
773 51THR C 771 2.172 3.197 -0.800
774 51THR O 772 2.216 3.271 -0.712
775 52ASP N 773 2.171 3.065 -0.793
776 52ASP H 774 2.112 3.014 -0.855
777 52ASP CA 775 2.253 2.990 -0.696
778 52ASP HA 776 2.270 3.048 -0.617
779 52ASP CB 777 2.177 2.865 -0.655
780 52ASP HB1 778 2.165 2.806 -0.735
781 52ASP HB2 779 2.229 2.816 -0.585
782 52ASP CG 780 2.040 2.899 -0.600
783 52ASP OD1 781 2.022 2.993 -0.524
784 52ASP OD2 782 1.952 2.814 -0.622
785 52ASP C 783 2.384 2.949 -0.763
786 52ASP O 784 2.385 2.907 -0.881
787 53TYR N 785 2.492 2.973 -0.691
788 53TYR H 786 2.481 3.002 -0.595
789 53TYR CA 787 2.628 2.960 -0.745
790 53TYR HA 788 2.610 2.925 -0.837
791 53TYR CB 789 2.699 3.097 -0.749
792 53TYR HB1 790 2.693 3.139 -0.658
793 53TYR HB2 791 2.795 3.082 -0.772
794 53TYR CG 792 2.644 3.196 -0.849
795 53TYR CD1 793 2.684 3.200 -0.982
796 53TYR HD1 794 2.754 3.136 -1.014
797 53TYR CD2 795 2.551 3.291 -0.805
798 53TYR HD2 796 2.527 3.294 -0.708
799 53TYR CE1 797 2.629 3.292 -1.072
800 53TYR HE1 798 2.656 3.292 -1.168
801 53TYR CE2 799 2.491 3.380 -0.893
802 53TYR HE2 800 2.417 3.440 -0.862
803 53TYR CZ 801 2.536 3.385 -1.025
804 53TYR OH 802 2.486 3.480 -1.109
805 53TYR HH 803 2.421 3.538 -1.060
806 53TYR C 804 2.716 2.859 -0.671
807 53TYR O 805 2.729 2.861 -0.549
808 54GLY N 806 2.775 2.772 -0.749
809 54GLY H 807 2.742 2.766 -0.843
810 54GLY CA 808 2.885 2.683 -0.712
811 54GLY HA1 809 2.927 2.653 -0.798
812 54GLY HA2 810 2.950 2.739 -0.661
813 54GLY C 811 2.850 2.560 -0.629
814 54GLY O 812 2.734 2.516 -0.626
815 55ILE N 813 2.956 2.509 -0.568
816 55ILE H 814 3.043 2.558 -0.570
817 55ILE CA 815 2.945 2.379 -0.499
818 55ILE HA 816 2.905 2.318 -0.567
819 55ILE CB 817 3.089 2.334 -0.456
820 55ILE HB 818 3.161 2.348 -0.524
821 55ILE CG1 819 3.079 2.181 -0.432
822 55ILE HG11 820 3.036 2.167 -0.342
823 55ILE HG12 821 3.019 2.143 -0.503
824 55ILE CG2 822 3.140 2.421 -0.339
825 55ILE HG21 823 3.231 2.391 -0.312
826 55ILE HG22 824 3.143 2.517 -0.367
827 55ILE HG23 825 3.078 2.411 -0.261
828 55ILE CD 826 3.210 2.102 -0.434
829 55ILE HD1 827 3.191 2.005 -0.417
830 55ILE HD2 828 3.254 2.112 -0.523
831 55ILE HD3 829 3.271 2.137 -0.363
832 55ILE C 830 2.842 2.375 -0.387
833 55ILE O 831 2.777 2.270 -0.369
834 56LEU N 832 2.822 2.488 -0.324
835 56LEU H 833 2.878 2.568 -0.346
836 56LEU CA 834 2.717 2.500 -0.220
837 56LEU HA 835 2.678 2.409 -0.207
838 56LEU CB 836 2.782 2.542 -0.088
839 56LEU HB1 837 2.839 2.623 -0.105
840 56LEU HB2 838 2.708 2.567 -0.024
841 56LEU CG 839 2.869 2.435 -0.020
842 56LEU HG 840 2.941 2.399 -0.080
843 56LEU CD1 841 2.933 2.500 0.101
844 56LEU HD11 842 2.991 2.433 0.148
845 56LEU HD12 843 2.989 2.577 0.072
846 56LEU HD13 844 2.862 2.531 0.163
847 56LEU CD2 845 2.781 2.318 0.019
848 56LEU HD21 846 2.837 2.247 0.063
849 56LEU HD22 847 2.711 2.349 0.083
850 56LEU HD23 848 2.737 2.280 -0.062
851 56LEU C 849 2.598 2.584 -0.266
852 56LEU O 850 2.516 2.611 -0.177
853 57GLN N 851 2.586 2.610 -0.395
854 57GLN H 852 2.660 2.584 -0.457
855 57GLN CA 853 2.467 2.678 -0.447
856 57GLN HA 854 2.490 2.715 -0.537
857 57GLN CB 855 2.352 2.576 -0.455
858 57GLN HB1 856 2.348 2.525 -0.369
859 57GLN HB2 857 2.266 2.625 -0.469
860 57GLN CG 858 2.373 2.479 -0.570
861 57GLN HG1 859 2.463 2.436 -0.559
862 57GLN HG2 860 2.302 2.409 -0.566
863 57GLN CD 861 2.368 2.544 -0.707
864 57GLN OE1 862 2.257 2.560 -0.759
865 57GLN NE2 863 2.481 2.580 -0.765
866 57GLN HE21 864 2.569 2.565 -0.719
867 57GLN HE22 865 2.479 2.623 -0.855
868 57GLN C 866 2.428 2.794 -0.356
869 57GLN O 867 2.312 2.803 -0.309
870 58ILE N 868 2.516 2.891 -0.343
871 58ILE H 869 2.605 2.881 -0.389
872 58ILE CA 870 2.493 3.012 -0.265
873 58ILE HA 871 2.433 2.986 -0.189
874 58ILE CB 872 2.630 3.066 -0.213
875 58ILE HB 873 2.700 3.068 -0.285
876 58ILE CG1 874 2.675 2.972 -0.098
877 58ILE HG11 875 2.620 2.991 -0.017
878 58ILE HG12 876 2.662 2.877 -0.127
879 58ILE CG2 877 2.618 3.214 -0.169
880 58ILE HG21 878 2.707 3.246 -0.137
881 58ILE HG22 879 2.588 3.269 -0.247
882 58ILE HG23 880 2.551 3.221 -0.096
883 58ILE CD 881 2.825 2.995 -0.064
884 58ILE HD1 882 2.852 2.934 0.010
885 58ILE HD2 883 2.881 2.977 -0.145
886 58ILE HD3 884 2.838 3.090 -0.035
887 58ILE C 885 2.420 3.116 -0.350
888 58ILE O 886 2.455 3.141 -0.467
889 59ASN N 887 2.315 3.167 -0.290
890 59ASN H 888 2.301 3.148 -0.193
891 59ASN CA 889 2.215 3.251 -0.359
892 59ASN HA 890 2.210 3.219 -0.454
893 59ASN CB 891 2.080 3.231 -0.288
894 59ASN HB1 892 2.061 3.133 -0.284
895 59ASN HB2 893 2.087 3.268 -0.196
896 59ASN CG 894 1.965 3.299 -0.359
897 59ASN OD1 895 1.946 3.417 -0.324
898 59ASN ND2 896 1.916 3.232 -0.461
899 59ASN HD21 897 1.954 3.144 -0.487
900 59ASN HD22 898 1.839 3.270 -0.513
901 59ASN C 899 2.255 3.397 -0.373
902 59ASN O 900 2.292 3.461 -0.274
903 60SER N 901 2.227 3.448 -0.494
904 60SER H 902 2.185 3.390 -0.564
905 60SER CA 903 2.257 3.591 -0.525
906 60SER HA 904 2.346 3.600 -0.480
907 60SER CB 905 2.264 3.614 -0.675
908 60SER HB1 906 2.297 3.707 -0.693
909 60SER HB2 907 2.327 3.548 -0.716
910 60SER OG 908 2.143 3.601 -0.744
911 60SER HG 909 2.159 3.618 -0.842
912 60SER C 910 2.169 3.699 -0.464
913 60SER O 911 2.205 3.818 -0.477
914 61ARG N 912 2.053 3.666 -0.414
915 61ARG H 913 2.020 3.572 -0.423
916 61ARG CA 914 1.969 3.765 -0.343
917 61ARG HA 915 1.969 3.843 -0.406
918 61ARG CB 916 1.827 3.720 -0.325
919 61ARG HB1 917 1.797 3.673 -0.409
920 61ARG HB2 918 1.824 3.655 -0.249
921 61ARG CG 919 1.732 3.835 -0.296
922 61ARG HG1 920 1.767 3.894 -0.224
923 61ARG HG2 921 1.714 3.889 -0.378
924 61ARG CD 922 1.606 3.766 -0.250
925 61ARG HD1 923 1.566 3.713 -0.326
926 61ARG HD2 924 1.627 3.704 -0.174
927 61ARG NE 925 1.510 3.865 -0.206
928 61ARG HE 926 1.541 3.955 -0.173
929 61ARG CZ 927 1.379 3.835 -0.211
930 61ARG NH1 928 1.344 3.726 -0.278
931 61ARG HH11 929 1.414 3.670 -0.323
932 61ARG HH12 930 1.248 3.700 -0.284
933 61ARG NH2 931 1.293 3.925 -0.165
934 61ARG HH21 932 1.325 4.012 -0.128
935 61ARG HH22 933 1.194 3.905 -0.167
936 61ARG C 934 2.028 3.811 -0.211
937 61ARG O 935 2.028 3.933 -0.188
938 62TRP N 936 2.077 3.720 -0.127
939 62TRP H 937 2.077 3.624 -0.155
940 62TRP CA 938 2.132 3.756 0.003
941 62TRP HA 939 2.095 3.849 0.013
942 62TRP CB 940 2.083 3.661 0.113
943 62TRP HB1 941 2.130 3.573 0.103
944 62TRP HB2 942 2.105 3.700 0.203
945 62TRP CG 943 1.936 3.636 0.110
946 62TRP CD1 944 1.872 3.525 0.064
947 62TRP HD1 945 1.917 3.440 0.037
948 62TRP CD2 946 1.833 3.730 0.143
949 62TRP NE1 947 1.736 3.546 0.061
950 62TRP HE1 948 1.668 3.480 0.028
951 62TRP CE2 949 1.709 3.670 0.110
952 62TRP CE3 950 1.833 3.858 0.197
953 62TRP HE3 951 1.919 3.904 0.219
954 62TRP CZ2 952 1.587 3.733 0.131
955 62TRP HZ2 953 1.501 3.687 0.110
956 62TRP CZ3 954 1.712 3.921 0.219
957 62TRP HZ3 955 1.710 4.011 0.262
958 62TRP CH2 956 1.591 3.861 0.181
959 62TRP HH2 957 1.505 3.912 0.192
960 62TRP C 958 2.285 3.764 0.010
961 62TRP O 959 2.332 3.840 0.097
962 63TRP N 960 2.354 3.673 -0.058
963 63TRP H 961 2.309 3.626 -0.134
964 63TRP CA 962 2.491 3.640 -0.028
965 63TRP HA 963 2.493 3.706 0.047
966 63TRP CB 964 2.507 3.492 0.011
967 63TRP HB1 965 2.501 3.436 -0.071
968 63TRP HB2 966 2.596 3.479 0.054
969 63TRP CG 967 2.404 3.443 0.107
970 63TRP CD1 968 2.296 3.362 0.078
971 63TRP HD1 969 2.273 3.328 -0.014
972 63TRP CD2 970 2.392 3.473 0.245
973 63TRP NE1 971 2.224 3.334 0.190
974 63TRP HE1 972 2.147 3.272 0.196
975 63TRP CE2 973 2.276 3.407 0.293
976 63TRP CE3 974 2.469 3.548 0.332
977 63TRP HE3 975 2.552 3.594 0.300
978 63TRP CZ2 976 2.239 3.413 0.428
979 63TRP HZ2 977 2.159 3.364 0.462
980 63TRP CZ3 978 2.430 3.559 0.465
981 63TRP HZ3 979 2.483 3.616 0.528
982 63TRP CH2 980 2.318 3.491 0.512
983 63TRP HH2 981 2.293 3.499 0.608
984 63TRP C 982 2.609 3.692 -0.105
985 63TRP O 983 2.714 3.718 -0.043
986 64CYS N 984 2.596 3.691 -0.235
987 64CYS H 985 2.512 3.653 -0.274
988 64CYS CA 986 2.698 3.743 -0.327
989 64CYS HA 987 2.766 3.794 -0.274
990 64CYS CB 988 2.764 3.626 -0.399
991 64CYS HB1 989 2.836 3.670 -0.453
992 64CYS HB2 990 2.805 3.574 -0.325
993 64CYS SG 991 2.656 3.523 -0.501
994 64CYS C 992 2.632 3.836 -0.429
995 64CYS O 993 2.510 3.831 -0.447
996 65ASN N 994 2.716 3.917 -0.491
997 65ASN H 995 2.813 3.912 -0.469
998 65ASN CA 996 2.670 4.013 -0.592
999 65ASN HA 997 2.571 4.020 -0.578
1000 65ASN CB 998 2.738 4.149 -0.571
1001 65ASN HB1 999 2.713 4.187 -0.482
1002 65ASN HB2 1000 2.837 4.139 -0.576
1003 65ASN CG 1001 2.691 4.242 -0.682
1004 65ASN OD1 1002 2.574 4.256 -0.714
1005 65ASN ND2 1003 2.791 4.294 -0.753
1006 65ASN HD21 1004 2.886 4.270 -0.730
1007 65ASN HD22 1005 2.773 4.356 -0.828
1008 65ASN C 1006 2.698 3.965 -0.734
1009 65ASN O 1007 2.813 3.932 -0.765
1010 66ASP N 1008 2.592 3.948 -0.812
1011 66ASP H 1009 2.500 3.957 -0.773
1012 66ASP CA 1010 2.610 3.918 -0.955
1013 66ASP HA 1011 2.709 3.909 -0.967
1014 66ASP CB 1012 2.546 3.786 -0.989
1015 66ASP HB1 1013 2.574 3.761 -1.082
1016 66ASP HB2 1014 2.579 3.717 -0.925
1017 66ASP CG 1015 2.395 3.790 -0.983
1018 66ASP OD1 1016 2.329 3.890 -0.954
1019 66ASP OD2 1017 2.345 3.677 -1.005
1020 66ASP C 1018 2.566 4.032 -1.046
1021 66ASP O 1019 2.572 4.014 -1.167
1022 67GLY N 1020 2.523 4.141 -0.986
1023 67GLY H 1021 2.519 4.141 -0.886
1024 67GLY CA 1022 2.482 4.261 -1.058
1025 67GLY HA1 1023 2.471 4.332 -0.989
1026 67GLY HA2 1024 2.557 4.284 -1.119
1027 67GLY C 1025 2.354 4.255 -1.140
1028 67GLY O 1026 2.319 4.354 -1.206
1029 68ARG N 1027 2.282 4.144 -1.135
1030 68ARG H 1028 2.314 4.068 -1.079
1031 68ARG CA 1029 2.156 4.131 -1.209
1032 68ARG HA 1030 2.133 4.225 -1.235
1033 68ARG CB 1031 2.175 4.045 -1.334
1034 68ARG HB1 1032 2.088 4.040 -1.383
1035 68ARG HB2 1033 2.244 4.087 -1.393
1036 68ARG CG 1034 2.220 3.905 -1.295
1037 68ARG HG1 1035 2.303 3.911 -1.240
1038 68ARG HG2 1036 2.148 3.861 -1.241
1039 68ARG CD 1037 2.248 3.819 -1.412
1040 68ARG HD1 1038 2.252 3.875 -1.495
1041 68ARG HD2 1039 2.335 3.771 -1.400
1042 68ARG NE 1040 2.144 3.720 -1.428
1043 68ARG HE 1041 2.166 3.631 -1.389
1044 68ARG CZ 1042 2.024 3.726 -1.485
1045 68ARG NH1 1043 1.950 3.831 -1.515
1046 68ARG HH11 1044 1.984 3.923 -1.493
1047 68ARG HH12 1045 1.861 3.819 -1.558
1048 68ARG NH2 1046 1.990 3.613 -1.550
1049 68ARG HH21 1047 2.052 3.535 -1.551
1050 68ARG HH22 1048 1.901 3.607 -1.596
1051 68ARG C 1049 2.042 4.076 -1.124
1052 68ARG O 1050 1.939 4.038 -1.179
1053 69THR N 1051 2.059 4.090 -0.995
1054 69THR H 1052 2.142 4.135 -0.962
1055 69THR CA 1053 1.961 4.041 -0.897
1056 69THR HA 1054 1.893 3.995 -0.955
1057 69THR CB 1055 2.021 3.938 -0.791
1058 69THR HB 1056 2.091 3.975 -0.730
1059 69THR OG1 1057 2.085 3.833 -0.872
1060 69THR HG1 1058 2.125 3.765 -0.811
1061 69THR CG2 1059 1.912 3.886 -0.696
1062 69THR HG21 1060 1.953 3.822 -0.630
1063 69THR HG22 1061 1.872 3.963 -0.646
1064 69THR HG23 1062 1.841 3.839 -0.748
1065 69THR C 1063 1.899 4.160 -0.822
1066 69THR O 1064 1.968 4.224 -0.743
1067 70PRO N 1065 1.769 4.174 -0.842
1068 70PRO CA 1066 1.695 4.282 -0.773
1069 70PRO HA 1067 1.736 4.373 -0.786
1070 70PRO CB 1068 1.556 4.275 -0.833
1071 70PRO HB1 1069 1.495 4.220 -0.776
1072 70PRO HB2 1070 1.517 4.366 -0.845
1073 70PRO CG 1071 1.576 4.209 -0.967
1074 70PRO HG1 1072 1.492 4.162 -0.996
1075 70PRO HG2 1073 1.601 4.277 -1.036
1076 70PRO CD 1074 1.689 4.109 -0.946
1077 70PRO HD1 1075 1.655 4.021 -0.915
1078 70PRO HD2 1076 1.743 4.097 -1.029
1079 70PRO C 1077 1.696 4.252 -0.624
1080 70PRO O 1078 1.674 4.136 -0.589
1081 71GLY N 1079 1.716 4.349 -0.540
1082 71GLY H 1080 1.736 4.439 -0.579
1083 71GLY CA 1081 1.714 4.338 -0.395
1084 71GLY HA1 1082 1.706 4.431 -0.359
1085 71GLY HA2 1083 1.631 4.287 -0.372
1086 71GLY C 1084 1.833 4.271 -0.329
1087 71GLY O 1085 1.826 4.226 -0.213
1088 72SER N 1086 1.942 4.263 -0.402
1089 72SER H 1087 1.940 4.304 -0.493
1090 72SER CA 1088 2.066 4.198 -0.359
1091 72SER HA 1089 2.050 4.101 -0.339
1092 72SER CB 1090 2.166 4.200 -0.474
1093 72SER HB1 1091 2.145 4.126 -0.538
1094 72SER HB2 1092 2.160 4.288 -0.521
1095 72SER OG 1093 2.302 4.183 -0.434
1096 72SER HG 1094 2.360 4.186 -0.515
1097 72SER C 1095 2.114 4.258 -0.228
1098 72SER O 1096 2.105 4.382 -0.213
1099 73ARG N 1097 2.165 4.177 -0.137
1100 73ARG H 1098 2.161 4.079 -0.156
1101 73ARG CA 1099 2.225 4.220 -0.011
1102 73ARG HA 1100 2.203 4.317 -0.021
1103 73ARG CB 1101 2.161 4.155 0.113
1104 73ARG HB1 1102 2.161 4.056 0.100
1105 73ARG HB2 1103 2.218 4.178 0.192
1106 73ARG CG 1104 2.019 4.198 0.144
1107 73ARG HG1 1105 1.966 4.207 0.059
1108 73ARG HG2 1106 1.975 4.131 0.204
1109 73ARG CD 1107 2.021 4.330 0.212
1110 73ARG HD1 1108 2.083 4.324 0.291
1111 73ARG HD2 1109 2.055 4.398 0.148
1112 73ARG NE 1110 1.893 4.377 0.262
1113 73ARG HE 1111 1.874 4.370 0.360
1114 73ARG CZ 1112 1.798 4.430 0.182
1115 73ARG NH1 1113 1.784 4.393 0.054
1116 73ARG HH11 1114 1.845 4.325 0.015
1117 73ARG HH12 1115 1.713 4.435 -0.002
1118 73ARG NH2 1116 1.757 4.555 0.215
1119 73ARG HH21 1117 1.797 4.601 0.293
1120 73ARG HH22 1118 1.687 4.600 0.160
1121 73ARG C 1119 2.377 4.206 0.003
1122 73ARG O 1120 2.443 4.275 0.085
1123 74ASN N 1121 2.435 4.114 -0.071
1124 74ASN H 1122 2.376 4.061 -0.132
1125 74ASN CA 1123 2.578 4.083 -0.069
1126 74ASN HA 1124 2.587 3.993 -0.111
1127 74ASN CB 1125 2.657 4.179 -0.159
1128 74ASN HB1 1126 2.607 4.189 -0.245
1129 74ASN HB2 1127 2.662 4.267 -0.113
1130 74ASN CG 1128 2.798 4.133 -0.191
1131 74ASN OD1 1129 2.832 4.017 -0.165
1132 74ASN ND2 1130 2.884 4.219 -0.244
1133 74ASN HD21 1131 2.855 4.313 -0.262
1134 74ASN HD22 1132 2.977 4.190 -0.265
1135 74ASN C 1133 2.632 4.072 0.073
1136 74ASN O 1134 2.726 4.147 0.106
1137 75LEU N 1135 2.572 3.986 0.154
1138 75LEU H 1136 2.496 3.931 0.120
1139 75LEU CA 1137 2.615 3.969 0.293
1140 75LEU HA 1138 2.632 4.061 0.328
1141 75LEU CB 1139 2.501 3.905 0.373
1142 75LEU HB1 1140 2.468 3.825 0.323
1143 75LEU HB2 1141 2.537 3.877 0.462
1144 75LEU CG 1142 2.382 4.000 0.398
1145 75LEU HG 1143 2.362 4.052 0.315
1146 75LEU CD1 1144 2.257 3.919 0.434
1147 75LEU HD11 1145 2.181 3.982 0.449
1148 75LEU HD12 1146 2.235 3.857 0.358
1149 75LEU HD13 1147 2.275 3.866 0.517
1150 75LEU CD2 1148 2.416 4.097 0.511
1151 75LEU HD21 1149 2.338 4.158 0.527
1152 75LEU HD22 1150 2.435 4.045 0.594
1153 75LEU HD23 1151 2.496 4.151 0.486
1154 75LEU C 1152 2.752 3.901 0.308
1155 75LEU O 1153 2.817 3.920 0.414
1156 76CYS N 1154 2.797 3.831 0.206
1157 76CYS H 1155 2.741 3.821 0.124
1158 76CYS CA 1156 2.930 3.768 0.211
1159 76CYS HA 1157 2.941 3.754 0.309
1160 76CYS CB 1158 2.940 3.630 0.148
1161 76CYS HB1 1159 2.900 3.643 0.057
1162 76CYS HB2 1160 3.038 3.615 0.139
1163 76CYS SG 1161 2.859 3.496 0.236
1164 76CYS C 1162 3.039 3.860 0.159
1165 76CYS O 1163 3.157 3.823 0.157
1166 77ASN N 1164 2.996 3.968 0.097
1167 77ASN H 1165 2.898 3.980 0.089
1168 77ASN CA 1166 3.083 4.073 0.040
1169 77ASN HA 1167 3.022 4.138 -0.005
1170 77ASN CB 1168 3.159 4.149 0.148
1171 77ASN HB1 1169 3.097 4.167 0.225
1172 77ASN HB2 1170 3.236 4.093 0.180
1173 77ASN CG 1171 3.213 4.281 0.096
1174 77ASN OD1 1172 3.135 4.359 0.040
1175 77ASN ND2 1173 3.343 4.301 0.105
1176 77ASN HD21 1174 3.402 4.231 0.145
1177 77ASN HD22 1175 3.383 4.387 0.071
1178 77ASN C 1176 3.171 4.016 -0.070
1179 77ASN O 1177 3.295 4.033 -0.069
1180 78ILE N 1178 3.115 3.941 -0.162
1181 78ILE H 1179 3.016 3.925 -0.157
1182 78ILE CA 1180 3.190 3.878 -0.271
1183 78ILE HA 1181 3.274 3.932 -0.280
1184 78ILE CB 1182 3.218 3.726 -0.238
1185 78ILE HB 1183 3.244 3.675 -0.321
1186 78ILE CG1 1184 3.088 3.664 -0.185
1187 78ILE HG11 1185 3.064 3.712 -0.101
1188 78ILE HG12 1186 3.017 3.679 -0.254
1189 78ILE CG2 1187 3.344 3.700 -0.152
1190 78ILE HG21 1188 3.354 3.602 -0.136
1191 78ILE HG22 1189 3.424 3.735 -0.200
1192 78ILE HG23 1190 3.334 3.748 -0.065
1193 78ILE CD 1191 3.094 3.512 -0.155
1194 78ILE HD1 1192 3.005 3.482 -0.121
1195 78ILE HD2 1193 3.116 3.462 -0.238
1196 78ILE HD3 1194 3.164 3.494 -0.085
1197 78ILE C 1195 3.110 3.885 -0.401
1198 78ILE O 1196 2.986 3.869 -0.397
1199 79PRO N 1197 3.183 3.879 -0.511
1200 79PRO CA 1198 3.119 3.863 -0.642
1201 79PRO HA 1199 3.041 3.923 -0.658
1202 79PRO CB 1200 3.226 3.897 -0.744
1203 79PRO HB1 1201 3.230 3.826 -0.815
1204 79PRO HB2 1202 3.207 3.985 -0.787
1205 79PRO CG 1203 3.355 3.903 -0.671
1206 79PRO HG1 1204 3.411 3.824 -0.696
1207 79PRO HG2 1205 3.404 3.987 -0.696
1208 79PRO CD 1206 3.328 3.902 -0.521
1209 79PRO HD1 1207 3.377 3.829 -0.476
1210 79PRO HD2 1208 3.352 3.990 -0.480
1211 79PRO C 1209 3.079 3.715 -0.645
1212 79PRO O 1210 3.158 3.627 -0.600
1213 80CYS N 1211 2.963 3.691 -0.703
1214 80CYS H 1212 2.906 3.767 -0.734
1215 80CYS CA 1213 2.917 3.552 -0.724
1216 80CYS HA 1214 2.914 3.520 -0.629
1217 80CYS CB 1215 2.775 3.534 -0.775
1218 80CYS HB1 1216 2.778 3.569 -0.868
1219 80CYS HB2 1217 2.763 3.435 -0.777
1220 80CYS SG 1218 2.647 3.616 -0.676
1221 80CYS C 1219 3.015 3.472 -0.807
1222 80CYS O 1220 3.021 3.348 -0.788
1223 81SER N 1221 3.077 3.529 -0.908
1224 81SER H 1222 3.053 3.624 -0.928
1225 81SER CA 1223 3.178 3.467 -0.993
1226 81SER HA 1224 3.124 3.398 -1.041
1227 81SER CB 1225 3.238 3.564 -1.095
1228 81SER HB1 1226 3.306 3.519 -1.153
1229 81SER HB2 1227 3.167 3.606 -1.153
1230 81SER OG 1228 3.303 3.668 -1.023
1231 81SER HG 1229 3.344 3.733 -1.088
1232 81SER C 1230 3.291 3.403 -0.911
1233 81SER O 1231 3.334 3.294 -0.956
1234 82ALA N 1232 3.323 3.457 -0.795
1235 82ALA H 1233 3.276 3.540 -0.764
1236 82ALA CA 1234 3.427 3.396 -0.711
1237 82ALA HA 1235 3.504 3.380 -0.773
1238 82ALA CB 1236 3.472 3.493 -0.602
1239 82ALA HB1 1237 3.543 3.450 -0.546
1240 82ALA HB2 1238 3.509 3.576 -0.644
1241 82ALA HB3 1239 3.394 3.517 -0.544
1242 82ALA C 1240 3.387 3.260 -0.654
1243 82ALA O 1241 3.470 3.180 -0.608
1244 83LEU N 1242 3.257 3.234 -0.652
1245 83LEU H 1243 3.195 3.305 -0.686
1246 83LEU CA 1244 3.197 3.109 -0.604
1247 83LEU HA 1245 3.254 3.072 -0.531
1248 83LEU CB 1246 3.062 3.142 -0.543
1249 83LEU HB1 1247 3.006 3.182 -0.616
1250 83LEU HB2 1248 3.021 3.056 -0.514
1251 83LEU CG 1249 3.051 3.236 -0.424
1252 83LEU HG 1250 3.093 3.322 -0.454
1253 83LEU CD1 1251 2.904 3.257 -0.386
1254 83LEU HD11 1252 2.899 3.319 -0.307
1255 83LEU HD12 1253 2.854 3.297 -0.463
1256 83LEU HD13 1254 2.863 3.169 -0.361
1257 83LEU CD2 1255 3.128 3.187 -0.302
1258 83LEU HD21 1256 3.117 3.253 -0.227
1259 83LEU HD22 1257 3.092 3.098 -0.274
1260 83LEU HD23 1258 3.225 3.178 -0.325
1261 83LEU C 1259 3.206 2.996 -0.705
1262 83LEU O 1260 3.167 2.882 -0.674
1263 84LEU N 1261 3.247 3.027 -0.827
1264 84LEU H 1262 3.270 3.122 -0.846
1265 84LEU CA 1263 3.261 2.930 -0.935
1266 84LEU HA 1264 3.213 2.848 -0.902
1267 84LEU CB 1265 3.191 2.979 -1.061
1268 84LEU HB1 1266 3.242 3.060 -1.092
1269 84LEU HB2 1267 3.200 2.907 -1.130
1270 84LEU CG 1268 3.045 3.018 -1.057
1271 84LEU HG 1269 3.033 3.085 -0.984
1272 84LEU CD1 1270 3.001 3.077 -1.192
1273 84LEU HD11 1271 2.905 3.102 -1.187
1274 84LEU HD12 1272 3.056 3.158 -1.212
1275 84LEU HD13 1273 3.015 3.009 -1.264
1276 84LEU CD2 1274 2.960 2.894 -1.033
1277 84LEU HD21 1275 2.863 2.920 -1.030
1278 84LEU HD22 1276 2.975 2.829 -1.107
1279 84LEU HD23 1277 2.986 2.853 -0.946
1280 84LEU C 1278 3.405 2.884 -0.957
1281 84LEU O 1279 3.433 2.824 -1.062
1282 85SER N 1280 3.494 2.920 -0.868
1283 85SER H 1281 3.466 2.980 -0.793
1284 85SER CA 1282 3.634 2.875 -0.873
1285 85SER HA 1283 3.667 2.898 -0.964
1286 85SER CB 1284 3.711 2.948 -0.763
1287 85SER HB1 1285 3.697 3.047 -0.768
1288 85SER HB2 1286 3.685 2.915 -0.672
1289 85SER OG 1287 3.848 2.921 -0.783
1290 85SER HG 1288 3.902 2.968 -0.713
1291 85SER C 1289 3.647 2.724 -0.850
1292 85SER O 1290 3.576 2.664 -0.768
1293 86SER N 1291 3.762 2.674 -0.894
1294 86SER H 1292 3.824 2.733 -0.946
1295 86SER CA 1293 3.801 2.534 -0.870
1296 86SER HA 1294 3.720 2.480 -0.890
1297 86SER CB 1295 3.911 2.487 -0.965
1298 86SER HB1 1296 3.963 2.563 -1.003
1299 86SER HB2 1297 3.973 2.422 -0.921
1300 86SER OG 1298 3.840 2.421 -1.069
1301 86SER HG 1299 3.905 2.387 -1.137
1302 86SER C 1300 3.839 2.515 -0.723
1303 86SER O 1301 3.831 2.405 -0.667
1304 87ASP N 1302 3.885 2.624 -0.667
1305 87ASP H 1303 3.890 2.706 -0.725
1306 87ASP CA 1304 3.928 2.639 -0.527
1307 87ASP HA 1305 3.976 2.558 -0.494
1308 87ASP CB 1306 4.022 2.761 -0.521
1309 87ASP HB1 1307 4.101 2.740 -0.579
1310 87ASP HB2 1308 3.973 2.839 -0.559
1311 87ASP CG 1309 4.076 2.804 -0.387
1312 87ASP OD1 1310 4.034 2.770 -0.274
1313 87ASP OD2 1311 4.179 2.880 -0.393
1314 87ASP C 1312 3.800 2.666 -0.447
1315 87ASP O 1313 3.749 2.776 -0.471
1316 88ILE N 1314 3.773 2.585 -0.346
1317 88ILE H 1315 3.834 2.509 -0.324
1318 88ILE CA 1316 3.651 2.609 -0.266
1319 88ILE HA 1317 3.593 2.650 -0.335
1320 88ILE CB 1318 3.599 2.474 -0.205
1321 88ILE HB 1319 3.514 2.488 -0.154
1322 88ILE CG1 1320 3.692 2.420 -0.093
1323 88ILE HG11 1321 3.767 2.373 -0.139
1324 88ILE HG12 1322 3.727 2.500 -0.045
1325 88ILE CG2 1323 3.559 2.374 -0.316
1326 88ILE HG21 1324 3.526 2.289 -0.275
1327 88ILE HG22 1325 3.486 2.415 -0.372
1328 88ILE HG23 1326 3.638 2.355 -0.374
1329 88ILE CD 1327 3.636 2.323 0.014
1330 88ILE HD1 1328 3.709 2.298 0.078
1331 88ILE HD2 1329 3.562 2.367 0.064
1332 88ILE HD3 1330 3.602 2.240 -0.031
1333 88ILE C 1331 3.658 2.714 -0.156
1334 88ILE O 1332 3.560 2.731 -0.080
1335 89THR N 1333 3.774 2.779 -0.137
1336 89THR H 1334 3.851 2.758 -0.197
1337 89THR CA 1335 3.791 2.877 -0.031
1338 89THR HA 1336 3.791 2.815 0.048
1339 89THR CB 1337 3.927 2.959 -0.042
1340 89THR HB 1338 3.935 3.016 -0.124
1341 89THR OG1 1339 4.034 2.859 -0.051
1342 89THR HG1 1340 4.122 2.906 -0.059
1343 89THR CG2 1341 3.942 3.055 0.077
1344 89THR HG21 1342 4.028 3.106 0.068
1345 89THR HG22 1343 3.865 3.119 0.078
1346 89THR HG23 1344 3.943 3.003 0.162
1347 89THR C 1345 3.674 2.976 -0.016
1348 89THR O 1346 3.634 2.998 0.100
1349 90ALA N 1347 3.651 3.048 -0.124
1350 90ALA H 1348 3.703 3.030 -0.207
1351 90ALA CA 1349 3.548 3.155 -0.124
1352 90ALA HA 1350 3.581 3.224 -0.059
1353 90ALA CB 1351 3.537 3.221 -0.262
1354 90ALA HB1 1352 3.467 3.293 -0.259
1355 90ALA HB2 1353 3.625 3.261 -0.287
1356 90ALA HB3 1354 3.511 3.152 -0.330
1357 90ALA C 1355 3.412 3.107 -0.073
1358 90ALA O 1356 3.337 3.167 0.007
1359 91SER N 1357 3.375 2.992 -0.130
1360 91SER H 1358 3.437 2.950 -0.196
1361 91SER CA 1359 3.249 2.922 -0.102
1362 91SER HA 1360 3.178 2.987 -0.126
1363 91SER CB 1361 3.228 2.803 -0.192
1364 91SER HB1 1362 3.310 2.746 -0.191
1365 91SER HB2 1363 3.150 2.750 -0.159
1366 91SER OG 1364 3.202 2.833 -0.326
1367 91SER HG 1365 3.189 2.749 -0.377
1368 91SER C 1366 3.243 2.882 0.047
1369 91SER O 1367 3.141 2.906 0.111
1370 92VAL N 1368 3.350 2.821 0.095
1371 92VAL H 1369 3.426 2.800 0.034
1372 92VAL CA 1370 3.359 2.785 0.238
1373 92VAL HA 1371 3.281 2.726 0.258
1374 92VAL CB 1372 3.489 2.704 0.265
1375 92VAL HB 1373 3.570 2.746 0.224
1376 92VAL CG1 1374 3.513 2.699 0.415
1377 92VAL HG11 1375 3.596 2.647 0.434
1378 92VAL HG12 1376 3.522 2.792 0.450
1379 92VAL HG13 1377 3.435 2.654 0.460
1380 92VAL CG2 1378 3.478 2.567 0.201
1381 92VAL HG21 1379 3.561 2.515 0.219
1382 92VAL HG22 1380 3.399 2.519 0.240
1383 92VAL HG23 1381 3.465 2.577 0.103
1384 92VAL C 1382 3.348 2.911 0.326
1385 92VAL O 1383 3.272 2.902 0.424
1386 93ASN N 1384 3.420 3.016 0.291
1387 93ASN H 1385 3.478 3.011 0.210
1388 93ASN CA 1386 3.416 3.141 0.368
1389 93ASN HA 1387 3.446 3.106 0.457
1390 93ASN CB 1388 3.517 3.247 0.325
1391 93ASN HB1 1389 3.513 3.257 0.225
1392 93ASN HB2 1390 3.494 3.334 0.368
1393 93ASN CG 1391 3.658 3.208 0.364
1394 93ASN OD1 1392 3.755 3.267 0.312
1395 93ASN ND2 1393 3.671 3.119 0.463
1396 93ASN HD21 1394 3.590 3.081 0.507
1397 93ASN HD22 1395 3.762 3.090 0.493
1398 93ASN C 1396 3.275 3.203 0.380
1399 93ASN O 1397 3.236 3.239 0.491
1400 94CYS N 1398 3.210 3.200 0.267
1401 94CYS H 1399 3.254 3.166 0.184
1402 94CYS CA 1400 3.069 3.245 0.263
1403 94CYS HA 1401 3.063 3.332 0.312
1404 94CYS CB 1402 3.029 3.270 0.119
1405 94CYS HB1 1403 3.100 3.331 0.082
1406 94CYS HB2 1404 3.035 3.181 0.074
1407 94CYS SG 1405 2.864 3.343 0.105
1408 94CYS C 1406 2.978 3.153 0.342
1409 94CYS O 1407 2.897 3.203 0.424
1410 95ALA N 1408 2.994 3.023 0.326
1411 95ALA H 1409 3.065 2.991 0.263
1412 95ALA CA 1410 2.913 2.923 0.397
1413 95ALA HA 1411 2.822 2.947 0.364
1414 95ALA CB 1412 2.950 2.779 0.361
1415 95ALA HB1 1413 2.891 2.717 0.412
1416 95ALA HB2 1414 2.936 2.765 0.263
1417 95ALA HB3 1415 3.045 2.762 0.385
1418 95ALA C 1416 2.924 2.933 0.549
1419 95ALA O 1417 2.822 2.918 0.618
1420 96LYS N 1418 3.042 2.963 0.599
1421 96LYS H 1419 3.121 2.966 0.537
1422 96LYS CA 1420 3.063 2.991 0.742
1423 96LYS HA 1421 3.030 2.908 0.786
1424 96LYS CB 1422 3.210 3.011 0.777
1425 96LYS HB1 1423 3.250 3.077 0.713
1426 96LYS HB2 1424 3.216 3.047 0.871
1427 96LYS CG 1425 3.287 2.879 0.770
1428 96LYS HG1 1426 3.256 2.817 0.842
1429 96LYS HG2 1427 3.272 2.837 0.681
1430 96LYS CD 1428 3.436 2.907 0.788
1431 96LYS HD1 1429 3.467 2.963 0.711
1432 96LYS HD2 1430 3.448 2.958 0.873
1433 96LYS CE 1431 3.520 2.782 0.794
1434 96LYS HE1 1432 3.490 2.723 0.869
1435 96LYS HE2 1433 3.514 2.731 0.708
1436 96LYS NZ 1434 3.661 2.824 0.817
1437 96LYS HZ1 1435 3.720 2.744 0.821
1438 96LYS HZ2 1436 3.691 2.883 0.742
1439 96LYS HZ3 1437 3.667 2.875 0.903
1440 96LYS C 1438 2.980 3.112 0.791
1441 96LYS O 1439 2.930 3.101 0.903
1442 97LYS N 1440 2.966 3.210 0.705
1443 97LYS H 1441 3.013 3.206 0.617
1444 97LYS CA 1442 2.881 3.326 0.738
1445 97LYS HA 1443 2.908 3.351 0.831
1446 97LYS CB 1444 2.909 3.446 0.647
1447 97LYS HB1 1445 2.889 3.419 0.553
1448 97LYS HB2 1446 2.849 3.521 0.674
1449 97LYS CG 1447 3.054 3.493 0.656
1450 97LYS HG1 1448 3.072 3.523 0.750
1451 97LYS HG2 1449 3.114 3.416 0.634
1452 97LYS CD 1450 3.084 3.607 0.561
1453 97LYS HD1 1451 3.048 3.585 0.470
1454 97LYS HD2 1452 3.041 3.691 0.595
1455 97LYS CE 1453 3.234 3.629 0.551
1456 97LYS HE1 1454 3.273 3.641 0.642
1457 97LYS HE2 1455 3.277 3.551 0.506
1458 97LYS NZ 1456 3.257 3.752 0.471
1459 97LYS HZ1 1457 3.355 3.769 0.463
1460 97LYS HZ2 1458 3.217 3.741 0.380
1461 97LYS HZ3 1459 3.213 3.830 0.516
1462 97LYS C 1460 2.733 3.290 0.739
1463 97LYS O 1461 2.657 3.332 0.827
1464 98ILE N 1462 2.690 3.213 0.642
1465 98ILE H 1463 2.756 3.181 0.574
1466 98ILE CA 1464 2.552 3.169 0.627
1467 98ILE HA 1465 2.499 3.254 0.629
1468 98ILE CB 1466 2.531 3.100 0.490
1469 98ILE HB 1467 2.596 3.025 0.482
1470 98ILE CG1 1468 2.564 3.191 0.370
1471 98ILE HG11 1469 2.498 3.265 0.369
1472 98ILE HG12 1470 2.656 3.229 0.385
1473 98ILE CG2 1471 2.389 3.039 0.482
1474 98ILE HG21 1472 2.376 2.994 0.393
1475 98ILE HG22 1473 2.377 2.971 0.555
1476 98ILE HG23 1474 2.321 3.111 0.492
1477 98ILE CD 1475 2.562 3.120 0.232
1478 98ILE HD1 1476 2.585 3.186 0.161
1479 98ILE HD2 1477 2.629 3.046 0.232
1480 98ILE HD3 1478 2.471 3.083 0.215
1481 98ILE C 1479 2.503 3.087 0.745
1482 98ILE O 1480 2.406 3.125 0.813
1483 99VAL N 1481 2.588 2.997 0.791
1484 99VAL H 1482 2.680 2.993 0.754
1485 99VAL CA 1483 2.549 2.901 0.896
1486 99VAL HA 1484 2.455 2.870 0.879
1487 99VAL CB 1485 2.640 2.777 0.886
1488 99VAL HB 1486 2.644 2.747 0.791
1489 99VAL CG1 1487 2.781 2.814 0.928
1490 99VAL HG11 1488 2.840 2.733 0.921
1491 99VAL HG12 1489 2.816 2.885 0.868
1492 99VAL HG13 1490 2.780 2.847 1.022
1493 99VAL CG2 1491 2.583 2.659 0.963
1494 99VAL HG21 1492 2.645 2.581 0.955
1495 99VAL HG22 1493 2.574 2.684 1.060
1496 99VAL HG23 1494 2.494 2.635 0.926
1497 99VAL C 1495 2.543 2.970 1.032
1498 99VAL O 1496 2.474 2.921 1.123
1499 100SER N 1497 2.621 3.075 1.041
1500 100SER H 1498 2.674 3.103 0.962
1501 100SER CA 1499 2.630 3.153 1.165
1502 100SER HA 1500 2.623 3.090 1.243
1503 100SER CB 1501 2.765 3.219 1.172
1504 100SER HB1 1502 2.780 3.274 1.090
1505 100SER HB2 1503 2.769 3.278 1.253
1506 100SER OG 1504 2.871 3.126 1.182
1507 100SER HG 1505 2.958 3.176 1.186
1508 100SER C 1506 2.512 3.250 1.176
1509 100SER O 1507 2.500 3.313 1.282
1510 101ASP N 1508 2.431 3.260 1.075
1511 101ASP H 1509 2.449 3.201 0.997
1512 101ASP CA 1510 2.316 3.349 1.065
1513 101ASP HA 1511 2.357 3.428 1.112
1514 101ASP CB 1512 2.281 3.385 0.921
1515 101ASP HB1 1513 2.360 3.365 0.863
1516 101ASP HB2 1514 2.203 3.329 0.892
1517 101ASP CG 1515 2.243 3.532 0.901
1518 101ASP OD1 1516 2.325 3.622 0.927
1519 101ASP OD2 1517 2.128 3.552 0.855
1520 101ASP C 1518 2.192 3.318 1.148
1521 101ASP O 1519 2.113 3.414 1.168
1522 102GLY N 1520 2.172 3.194 1.189
1523 102GLY H 1521 2.231 3.120 1.156
1524 102GLY CA 1522 2.062 3.166 1.282
1525 102GLY HA1 1523 2.102 3.155 1.373
1526 102GLY HA2 1524 2.001 3.245 1.282
1527 102GLY C 1525 1.981 3.041 1.250
1528 102GLY O 1526 1.919 2.990 1.346
1529 103ASN N 1527 1.980 3.000 1.124
1530 103ASN H 1528 2.030 3.053 1.055
1531 103ASN CA 1529 1.908 2.880 1.085
1532 103ASN HA 1530 1.857 2.856 1.167
1533 103ASN CB 1531 1.798 2.905 0.982
1534 103ASN HB1 1532 1.774 3.002 0.984
1535 103ASN HB2 1533 1.833 2.881 0.892
1536 103ASN CG 1534 1.671 2.825 1.006
1537 103ASN OD1 1535 1.651 2.758 1.110
1538 103ASN ND2 1536 1.567 2.843 0.924
1539 103ASN HD21 1537 1.574 2.908 0.849
1540 103ASN HD22 1538 1.483 2.791 0.938
1541 103ASN C 1539 1.999 2.760 1.060
1542 103ASN O 1540 1.947 2.658 1.012
1543 104GLY N 1541 2.124 2.771 1.100
1544 104GLY H 1542 2.156 2.857 1.140
1545 104GLY CA 1543 2.218 2.657 1.086
1546 104GLY HA1 1544 2.309 2.685 1.114
1547 104GLY HA2 1545 2.187 2.582 1.144
1548 104GLY C 1546 2.217 2.614 0.939
1549 104GLY O 1547 2.215 2.704 0.854
1550 105MET N 1548 2.218 2.485 0.911
1551 105MET H 1549 2.213 2.418 0.986
1552 105MET CA 1550 2.228 2.437 0.772
1553 105MET HA 1551 2.281 2.506 0.724
1554 105MET CB 1552 2.304 2.305 0.763
1555 105MET HB1 1553 2.267 2.242 0.832
1556 105MET HB2 1554 2.290 2.266 0.672
1557 105MET CG 1555 2.452 2.322 0.787
1558 105MET HG1 1556 2.480 2.398 0.728
1559 105MET HG2 1557 2.461 2.349 0.883
1560 105MET SD 1558 2.538 2.166 0.749
1561 105MET CE 1559 2.537 2.171 0.570
1562 105MET HE1 1560 2.582 2.089 0.535
1563 105MET HE2 1561 2.442 2.173 0.538
1564 105MET HE3 1562 2.586 2.252 0.539
1565 105MET C 1563 2.092 2.431 0.706
1566 105MET O 1564 2.090 2.392 0.587
1567 106ASN N 1565 1.990 2.484 0.774
1568 106ASN H 1566 2.003 2.519 0.866
1569 106ASN CA 1567 1.856 2.490 0.710
1570 106ASN HA 1568 1.838 2.397 0.677
1571 106ASN CB 1569 1.742 2.515 0.808
1572 106ASN HB1 1570 1.765 2.594 0.866
1573 106ASN HB2 1571 1.658 2.534 0.758
1574 106ASN CG 1572 1.721 2.394 0.897
1575 106ASN OD1 1573 1.684 2.287 0.844
1576 106ASN ND2 1574 1.754 2.405 1.026
1577 106ASN HD21 1575 1.792 2.491 1.060
1578 106ASN HD22 1576 1.742 2.327 1.087
1579 106ASN C 1577 1.857 2.583 0.589
1580 106ASN O 1578 1.768 2.575 0.502
1581 107ALA N 1579 1.962 2.665 0.580
1582 107ALA H 1580 2.028 2.667 0.655
1583 107ALA CA 1581 1.982 2.751 0.463
1584 107ALA HA 1582 1.898 2.805 0.456
1585 107ALA CB 1583 2.106 2.837 0.488
1586 107ALA HB1 1584 2.121 2.897 0.409
1587 107ALA HB2 1585 2.092 2.893 0.570
1588 107ALA HB3 1586 2.186 2.778 0.501
1589 107ALA C 1587 2.001 2.674 0.333
1590 107ALA O 1588 1.973 2.729 0.226
1591 108TRP N 1589 2.037 2.546 0.343
1592 108TRP H 1590 2.054 2.507 0.434
1593 108TRP CA 1591 2.053 2.462 0.224
1594 108TRP HA 1592 2.058 2.523 0.145
1595 108TRP CB 1593 2.184 2.383 0.234
1596 108TRP HB1 1594 2.195 2.346 0.326
1597 108TRP HB2 1595 2.183 2.307 0.168
1598 108TRP CG 1596 2.300 2.474 0.203
1599 108TRP CD1 1597 2.336 2.523 0.080
1600 108TRP HD1 1598 2.292 2.500 -0.007
1601 108TRP CD2 1599 2.380 2.544 0.299
1602 108TRP NE1 1600 2.441 2.610 0.095
1603 108TRP HE1 1601 2.489 2.656 0.020
1604 108TRP CE2 1602 2.471 2.624 0.227
1605 108TRP CE3 1603 2.383 2.543 0.438
1606 108TRP HE3 1604 2.319 2.487 0.490
1607 108TRP CZ2 1605 2.568 2.698 0.292
1608 108TRP HZ2 1606 2.635 2.752 0.240
1609 108TRP CZ3 1607 2.477 2.620 0.503
1610 108TRP HZ3 1608 2.480 2.622 0.603
1611 108TRP CH2 1609 2.569 2.696 0.430
1612 108TRP HH2 1610 2.637 2.750 0.479
1613 108TRP C 1611 1.932 2.369 0.211
1614 108TRP O 1612 1.924 2.282 0.299
1615 109VAL N 1613 1.849 2.392 0.110
1616 109VAL H 1614 1.868 2.463 0.042
1617 109VAL CA 1615 1.727 2.310 0.102
1618 109VAL HA 1616 1.687 2.318 0.194
1619 109VAL CB 1617 1.615 2.366 0.014
1620 109VAL HB 1618 1.590 2.454 0.056
1621 109VAL CG1 1619 1.661 2.391 -0.128
1622 109VAL HG11 1620 1.585 2.427 -0.182
1623 109VAL HG12 1621 1.736 2.456 -0.128
1624 109VAL HG13 1622 1.691 2.304 -0.169
1625 109VAL CG2 1623 1.490 2.278 0.014
1626 109VAL HG21 1624 1.421 2.320 -0.045
1627 109VAL HG22 1625 1.514 2.188 -0.021
1628 109VAL HG23 1626 1.454 2.270 0.107
1629 109VAL C 1627 1.757 2.161 0.088
1630 109VAL O 1628 1.692 2.081 0.159
1631 110ALA N 1629 1.856 2.131 0.007
1632 110ALA H 1630 1.907 2.206 -0.035
1633 110ALA CA 1631 1.897 1.993 -0.024
1634 110ALA HA 1632 1.812 1.949 -0.052
1635 110ALA CB 1633 1.986 1.978 -0.146
1636 110ALA HB1 1634 2.008 1.881 -0.158
1637 110ALA HB2 1635 1.938 2.012 -0.226
1638 110ALA HB3 1636 2.070 2.030 -0.132
1639 110ALA C 1637 1.950 1.924 0.101
1640 110ALA O 1638 1.920 1.805 0.117
1641 111TRP N 1639 2.012 1.998 0.189
1642 111TRP H 1640 2.031 2.094 0.166
1643 111TRP CA 1641 2.055 1.950 0.320
1644 111TRP HA 1642 2.111 1.869 0.300
1645 111TRP CB 1643 2.149 2.045 0.393
1646 111TRP HB1 1644 2.232 2.058 0.339
1647 111TRP HB2 1645 2.103 2.133 0.406
1648 111TRP CG 1646 2.186 1.990 0.525
1649 111TRP CD1 1647 2.286 1.898 0.549
1650 111TRP HD1 1648 2.349 1.863 0.479
1651 111TRP CD2 1649 2.120 2.009 0.650
1652 111TRP NE1 1650 2.285 1.859 0.681
1653 111TRP HE1 1651 2.350 1.796 0.724
1654 111TRP CE2 1652 2.180 1.922 0.743
1655 111TRP CE3 1653 2.018 2.096 0.691
1656 111TRP HE3 1654 1.973 2.156 0.625
1657 111TRP CZ2 1655 2.149 1.928 0.878
1658 111TRP HZ2 1656 2.201 1.876 0.946
1659 111TRP CZ3 1657 1.982 2.095 0.824
1660 111TRP HZ3 1658 1.909 2.157 0.855
1661 111TRP CH2 1659 2.044 2.011 0.916
1662 111TRP HH2 1660 2.013 2.010 1.011
1663 111TRP C 1661 1.934 1.908 0.405
1664 111TRP O 1662 1.928 1.799 0.464
1665 112ARG N 1663 1.844 2.004 0.423
1666 112ARG H 1664 1.862 2.094 0.385
1667 112ARG CA 1665 1.719 1.983 0.495
1668 112ARG HA 1666 1.750 1.973 0.590
1669 112ARG CB 1667 1.621 2.099 0.494
1670 112ARG HB1 1668 1.573 2.093 0.407
1671 112ARG HB2 1669 1.557 2.081 0.569
1672 112ARG CG 1670 1.659 2.244 0.509
1673 112ARG HG1 1671 1.711 2.256 0.594
1674 112ARG HG2 1672 1.716 2.271 0.431
1675 112ARG CD 1673 1.537 2.330 0.513
1676 112ARG HD1 1674 1.468 2.285 0.570
1677 112ARG HD2 1675 1.560 2.418 0.554
1678 112ARG NE 1676 1.478 2.355 0.384
1679 112ARG HE 1677 1.430 2.278 0.341
1680 112ARG CZ 1678 1.479 2.470 0.314
1681 112ARG NH1 1679 1.560 2.572 0.338
1682 112ARG HH11 1680 1.626 2.567 0.413
1683 112ARG HH12 1681 1.554 2.654 0.282
1684 112ARG NH2 1682 1.372 2.501 0.240
1685 112ARG HH21 1683 1.293 2.439 0.237
1686 112ARG HH22 1684 1.371 2.586 0.187
1687 112ARG C 1685 1.647 1.859 0.439
1688 112ARG O 1686 1.600 1.779 0.522
1689 113ASN N 1687 1.631 1.852 0.307
1690 113ASN H 1688 1.676 1.919 0.248
1691 113ASN CA 1689 1.546 1.746 0.249
1692 113ASN HA 1690 1.466 1.747 0.308
1693 113ASN CB 1691 1.497 1.778 0.108
1694 113ASN HB1 1692 1.576 1.799 0.051
1695 113ASN HB2 1693 1.450 1.697 0.073
1696 113ASN CG 1694 1.400 1.896 0.102
1697 113ASN OD1 1695 1.345 1.934 0.206
1698 113ASN ND2 1696 1.384 1.956 -0.016
1699 113ASN HD21 1697 1.434 1.922 -0.096
1700 113ASN HD22 1698 1.322 2.033 -0.024
1701 113ASN C 1699 1.611 1.608 0.259
1702 113ASN O 1700 1.545 1.505 0.281
1703 114ARG N 1701 1.740 1.604 0.235
1704 114ARG H 1702 1.791 1.690 0.240
1705 114ARG CA 1703 1.816 1.484 0.204
1706 114ARG HA 1704 1.749 1.411 0.221
1707 114ARG CB 1705 1.862 1.491 0.058
1708 114ARG HB1 1706 1.898 1.582 0.037
1709 114ARG HB2 1707 1.934 1.423 0.041
1710 114ARG CG 1708 1.740 1.461 -0.030
1711 114ARG HG1 1709 1.694 1.379 0.003
1712 114ARG HG2 1710 1.676 1.538 -0.025
1713 114ARG CD 1711 1.773 1.440 -0.173
1714 114ARG HD1 1712 1.847 1.373 -0.181
1715 114ARG HD2 1713 1.693 1.406 -0.222
1716 114ARG NE 1714 1.815 1.568 -0.230
1717 114ARG HE 1715 1.872 1.628 -0.174
1718 114ARG CZ 1716 1.783 1.608 -0.354
1719 114ARG NH1 1717 1.738 1.523 -0.446
1720 114ARG HH11 1718 1.728 1.426 -0.423
1721 114ARG HH12 1719 1.714 1.555 -0.537
1722 114ARG NH2 1720 1.773 1.739 -0.380
1723 114ARG HH21 1721 1.791 1.806 -0.307
1724 114ARG HH22 1722 1.749 1.770 -0.471
1725 114ARG C 1723 1.926 1.444 0.299
1726 114ARG O 1724 1.951 1.322 0.310
1727 115CYS N 1725 1.974 1.537 0.377
1728 115CYS H 1726 1.937 1.630 0.374
1729 115CYS CA 1727 2.084 1.504 0.471
1730 115CYS HA 1728 2.112 1.410 0.452
1731 115CYS CB 1729 2.199 1.602 0.443
1732 115CYS HB1 1730 2.163 1.691 0.469
1733 115CYS HB2 1731 2.272 1.575 0.506
1734 115CYS SG 1732 2.256 1.601 0.274
1735 115CYS C 1733 2.045 1.493 0.616
1736 115CYS O 1734 2.097 1.412 0.694
1737 116LYS N 1735 1.971 1.592 0.662
1738 116LYS H 1736 1.939 1.660 0.597
1739 116LYS CA 1737 1.933 1.609 0.803
1740 116LYS HA 1738 2.015 1.619 0.860
1741 116LYS CB 1739 1.849 1.736 0.813
1742 116LYS HB1 1740 1.907 1.815 0.791
1743 116LYS HB2 1741 1.774 1.731 0.747
1744 116LYS CG 1742 1.793 1.751 0.955
1745 116LYS HG1 1743 1.763 1.662 0.988
1746 116LYS HG2 1744 1.865 1.786 1.015
1747 116LYS CD 1745 1.674 1.848 0.955
1748 116LYS HD1 1746 1.688 1.918 0.885
1749 116LYS HD2 1747 1.590 1.798 0.937
1750 116LYS CE 1748 1.666 1.915 1.092
1751 116LYS HE1 1749 1.662 1.844 1.163
1752 116LYS HE2 1750 1.747 1.972 1.106
1753 116LYS NZ 1751 1.545 2.001 1.105
1754 116LYS HZ1 1752 1.544 2.043 1.196
1755 116LYS HZ2 1753 1.548 2.073 1.035
1756 116LYS HZ3 1754 1.463 1.946 1.092
1757 116LYS C 1755 1.863 1.482 0.852
1758 116LYS O 1756 1.782 1.423 0.779
1759 117GLY N 1757 1.915 1.432 0.964
1760 117GLY H 1758 1.995 1.475 1.005
1761 117GLY CA 1759 1.856 1.313 1.027
1762 117GLY HA1 1760 1.878 1.317 1.124
1763 117GLY HA2 1761 1.757 1.319 1.015
1764 117GLY C 1762 1.902 1.178 0.973
1765 117GLY O 1763 1.850 1.073 1.016
1766 118THR N 1764 1.989 1.180 0.874
1767 118THR H 1765 2.017 1.269 0.836
1768 118THR CA 1766 2.047 1.058 0.817
1769 118THR HA 1767 1.989 0.982 0.848
1770 118THR CB 1768 2.044 1.057 0.660
1771 118THR HB 1769 2.057 0.966 0.619
1772 118THR OG1 1770 2.156 1.140 0.616
1773 118THR HG1 1771 2.158 1.143 0.516
1774 118THR CG2 1772 1.910 1.110 0.607
1775 118THR HG21 1773 1.910 1.109 0.507
1776 118THR HG22 1774 1.835 1.053 0.641
1777 118THR HG23 1775 1.896 1.204 0.639
1778 118THR C 1776 2.187 1.038 0.876
1779 118THR O 1777 2.232 1.112 0.965
1780 119ASP N 1778 2.239 0.921 0.843
1781 119ASP H 1779 2.182 0.856 0.793
1782 119ASP CA 1780 2.377 0.883 0.876
1783 119ASP HA 1781 2.396 0.913 0.969
1784 119ASP CB 1782 2.393 0.731 0.874
1785 119ASP HB1 1783 2.329 0.691 0.939
1786 119ASP HB2 1784 2.374 0.697 0.782
1787 119ASP CG 1785 2.535 0.690 0.912
1788 119ASP OD1 1786 2.605 0.763 0.983
1789 119ASP OD2 1787 2.572 0.575 0.880
1790 119ASP C 1788 2.471 0.954 0.778
1791 119ASP O 1789 2.518 0.895 0.678
1792 120VAL N 1790 2.499 1.079 0.809
1793 120VAL H 1791 2.456 1.118 0.891
1794 120VAL CA 1792 2.589 1.164 0.731
1795 120VAL HA 1793 2.556 1.146 0.638
1796 120VAL CB 1794 2.572 1.313 0.763
1797 120VAL HB 1795 2.640 1.365 0.710
1798 120VAL CG1 1796 2.436 1.365 0.718
1799 120VAL HG11 1797 2.428 1.463 0.741
1800 120VAL HG12 1798 2.426 1.353 0.620
1801 120VAL HG13 1799 2.363 1.315 0.765
1802 120VAL CG2 1800 2.609 1.348 0.905
1803 120VAL HG21 1801 2.596 1.446 0.920
1804 120VAL HG22 1802 2.550 1.297 0.968
1805 120VAL HG23 1803 2.704 1.324 0.922
1806 120VAL C 1804 2.734 1.120 0.730
1807 120VAL O 1805 2.810 1.160 0.641
1808 121GLN N 1806 2.770 1.043 0.831
1809 121GLN H 1807 2.705 1.028 0.905
1810 121GLN CA 1808 2.902 0.978 0.839
1811 121GLN HA 1809 2.971 1.051 0.834
1812 121GLN CB 1810 2.909 0.905 0.973
1813 121GLN HB1 1811 2.856 0.955 1.042
1814 121GLN HB2 1812 2.872 0.812 0.963
1815 121GLN CG 1813 3.053 0.896 1.017
1816 121GLN HG1 1814 3.095 0.815 0.976
1817 121GLN HG2 1815 3.102 0.978 0.986
1818 121GLN CD 1816 3.062 0.888 1.167
1819 121GLN OE1 1817 3.137 0.963 1.228
1820 121GLN NE2 1818 2.988 0.787 1.215
1821 121GLN HE21 1819 2.937 0.729 1.152
1822 121GLN HE22 1820 2.985 0.770 1.314
1823 121GLN C 1821 2.932 0.886 0.721
1824 121GLN O 1822 3.048 0.867 0.682
1825 122ALA N 1823 2.830 0.827 0.658
1826 122ALA H 1824 2.740 0.833 0.701
1827 122ALA CA 1825 2.839 0.755 0.531
1828 122ALA HA 1826 2.888 0.671 0.556
1829 122ALA CB 1827 2.700 0.724 0.478
1830 122ALA HB1 1828 2.707 0.675 0.392
1831 122ALA HB2 1829 2.651 0.668 0.545
1832 122ALA HB3 1830 2.650 0.810 0.464
1833 122ALA C 1831 2.919 0.829 0.423
1834 122ALA O 1832 3.003 0.771 0.352
1835 123TRP N 1833 2.902 0.962 0.424
1836 123TRP H 1834 2.841 1.002 0.492
1837 123TRP CA 1835 2.970 1.050 0.328
1838 123TRP HA 1836 2.958 1.006 0.239
1839 123TRP CB 1837 2.903 1.187 0.335
1840 123TRP HB1 1838 2.901 1.220 0.429
1841 123TRP HB2 1839 2.952 1.252 0.277
1842 123TRP CG 1840 2.762 1.173 0.285
1843 123TRP CD1 1841 2.648 1.161 0.359
1844 123TRP HD1 1842 2.645 1.162 0.459
1845 123TRP CD2 1843 2.724 1.155 0.148
1846 123TRP NE1 1844 2.540 1.146 0.277
1847 123TRP HE1 1845 2.445 1.141 0.308
1848 123TRP CE2 1846 2.583 1.139 0.148
1849 123TRP CE3 1847 2.795 1.147 0.028
1850 123TRP HE3 1848 2.895 1.151 0.027
1851 123TRP CZ2 1849 2.511 1.118 0.031
1852 123TRP HZ2 1850 2.412 1.108 0.032
1853 123TRP CZ3 1851 2.722 1.133 -0.089
1854 123TRP HZ3 1852 2.770 1.137 -0.176
1855 123TRP CH2 1853 2.583 1.113 -0.087
1856 123TRP HH2 1854 2.536 1.094 -0.173
1857 123TRP C 1855 3.122 1.058 0.339
1858 123TRP O 1856 3.191 1.094 0.241
1859 124ILE N 1857 3.174 1.027 0.455
1860 124ILE H 1858 3.113 1.001 0.530
1861 124ILE CA 1859 3.319 1.029 0.480
1862 124ILE HA 1860 3.357 1.051 0.390
1863 124ILE CB 1861 3.350 1.140 0.586
1864 124ILE HB 1862 3.449 1.150 0.599
1865 124ILE CG1 1863 3.296 1.098 0.723
1866 124ILE HG11 1864 3.203 1.135 0.731
1867 124ILE HG12 1865 3.292 0.998 0.725
1868 124ILE CG2 1866 3.302 1.280 0.539
1869 124ILE HG21 1867 3.324 1.349 0.609
1870 124ILE HG22 1868 3.349 1.304 0.453
1871 124ILE HG23 1869 3.204 1.278 0.524
1872 124ILE CD 1870 3.373 1.144 0.849
1873 124ILE HD1 1871 3.327 1.110 0.931
1874 124ILE HD2 1872 3.466 1.107 0.846
1875 124ILE HD3 1873 3.376 1.244 0.852
1876 124ILE C 1874 3.386 0.896 0.502
1877 124ILE O 1875 3.510 0.889 0.513
1878 125ARG N 1876 3.308 0.790 0.513
1879 125ARG H 1877 3.209 0.803 0.508
1880 125ARG CA 1878 3.359 0.653 0.532
1881 125ARG HA 1879 3.422 0.656 0.610
1882 125ARG CB 1880 3.248 0.555 0.565
1883 125ARG HB1 1881 3.167 0.579 0.511
1884 125ARG HB2 1882 3.278 0.463 0.541
1885 125ARG CG 1883 3.212 0.560 0.715
1886 125ARG HG1 1884 3.295 0.558 0.770
1887 125ARG HG2 1885 3.160 0.643 0.735
1888 125ARG CD 1886 3.128 0.439 0.748
1889 125ARG HD1 1887 3.081 0.406 0.666
1890 125ARG HD2 1888 3.185 0.367 0.786
1891 125ARG NE 1889 3.028 0.475 0.847
1892 125ARG HE 1890 3.063 0.484 0.940
1893 125ARG CZ 1891 2.898 0.499 0.833
1894 125ARG NH1 1892 2.833 0.469 0.721
1895 125ARG HH11 1893 2.883 0.427 0.644
1896 125ARG HH12 1894 2.736 0.488 0.713
1897 125ARG NH2 1895 2.839 0.555 0.939
1898 125ARG HH21 1896 2.893 0.575 1.021
1899 125ARG HH22 1897 2.741 0.576 0.937
1900 125ARG C 1898 3.431 0.611 0.404
1901 125ARG O 1899 3.384 0.634 0.291
1902 126GLY N 1900 3.550 0.557 0.424
1903 126GLY H 1901 3.586 0.550 0.517
1904 126GLY CA 1902 3.629 0.506 0.310
1905 126GLY HA1 1903 3.674 0.421 0.338
1906 126GLY HA2 1904 3.567 0.487 0.234
1907 126GLY C 1905 3.733 0.607 0.266
1908 126GLY O 1906 3.822 0.573 0.185
1909 127CYS N 1907 3.734 0.722 0.330
1910 127CYS H 1908 3.669 0.735 0.405
1911 127CYS CA 1909 3.823 0.833 0.296
1912 127CYS HA 1910 3.858 0.817 0.204
1913 127CYS CB 1911 3.745 0.963 0.299
1914 127CYS HB1 1912 3.721 0.971 0.396
1915 127CYS HB2 1913 3.815 1.031 0.277
1916 127CYS SG 1914 3.601 0.982 0.194
1917 127CYS C 1915 3.942 0.838 0.393
1918 127CYS O 1916 3.921 0.827 0.514
1919 128ARG N 1917 4.059 0.869 0.339
1920 128ARG H 1918 4.066 0.875 0.240
1921 128ARG CA 1919 4.177 0.896 0.422
1922 128ARG HA 1920 4.166 0.847 0.508
1923 128ARG CB 1921 4.305 0.830 0.371
1924 128ARG HB1 1922 4.300 0.825 0.271
1925 128ARG HB2 1923 4.383 0.887 0.398
1926 128ARG CG 1924 4.323 0.689 0.428
1927 128ARG HG1 1925 4.234 0.643 0.434
1928 128ARG HG2 1926 4.384 0.636 0.368
1929 128ARG CD 1927 4.383 0.691 0.565
1930 128ARG HD1 1928 4.335 0.759 0.621
1931 128ARG HD2 1929 4.374 0.601 0.607
1932 128ARG NE 1930 4.525 0.726 0.564
1933 128ARG HE 1931 4.583 0.668 0.507
1934 128ARG CZ 1932 4.586 0.826 0.628
1935 128ARG NH1 1933 4.524 0.907 0.715
1936 128ARG HH11 1934 4.427 0.894 0.734
1937 128ARG HH12 1935 4.575 0.980 0.761
1938 128ARG NH2 1936 4.713 0.855 0.597
1939 128ARG HH21 1937 4.761 0.803 0.527
1940 128ARG HH22 1938 4.760 0.930 0.645
1941 128ARG C 1939 4.182 1.044 0.458
1942 128ARG O 1940 4.198 1.129 0.369
1943 129LEU N 1941 4.129 1.071 0.577
1944 129LEU H 1942 4.101 0.995 0.635
1945 129LEU CA 1943 4.109 1.208 0.627
1946 129LEU HA 1944 4.128 1.272 0.552
1947 129LEU CB 1945 3.964 1.234 0.665
1948 129LEU HB1 1946 3.925 1.146 0.693
1949 129LEU HB2 1947 3.963 1.296 0.742
1950 129LEU CG 1948 3.869 1.292 0.562
1951 129LEU HG 1949 3.870 1.391 0.572
1952 129LEU CD1 1950 3.911 1.266 0.419
1953 129LEU HD11 1951 3.845 1.307 0.357
1954 129LEU HD12 1952 4.001 1.306 0.403
1955 129LEU HD13 1953 3.916 1.167 0.403
1956 129LEU CD2 1954 3.731 1.232 0.589
1957 129LEU HD21 1955 3.666 1.269 0.522
1958 129LEU HD22 1956 3.735 1.133 0.580
1959 129LEU HD23 1957 3.702 1.257 0.681
1960 129LEU C 1958 4.212 1.238 0.737
1961 129LEU O1 1959 4.173 1.228 0.856
1962 129LEU O2 1960 4.323 1.268 0.691
1963 130HOH OW 1961 2.343 4.006 -0.666
1964 130HOH HW1 1962 2.425 4.006 -0.608
1965 130HOH HW2 1963 2.262 4.006 -0.608
1966 131HOH OW 1964 3.199 2.642 -0.605
1967 131HOH HW1 1965 3.281 2.642 -0.547
1968 131HOH HW2 1966 3.199 2.723 -0.662
1969 132HOH OW 1967 3.025 1.334 0.979
1970 132HOH HW1 1968 3.107 1.334 1.036
1971 132HOH HW2 1969 3.025 1.252 0.921
1972 133HOH OW 1970 2.238 4.233 -0.817
1973 133HOH HW1 1971 2.157 4.233 -0.759
1974 133HOH HW2 1972 2.238 4.315 -0.874
1975 134HOH OW 1973 2.924 2.762 -0.367
1976 134HOH HW1 1974 2.842 2.762 -0.309
1977 134HOH HW2 1975 2.924 2.680 -0.425
1978 135HOH OW 1976 2.946 3.776 -1.049
1979 135HOH HW1 1977 2.946 3.858 -1.107
1980 135HOH HW2 1978 2.946 3.694 -1.107
1981 136HOH OW 1979 2.081 3.631 -1.108
1982 136HOH HW1 1980 2.162 3.631 -1.050
1983 136HOH HW2 1981 1.999 3.631 -1.050
1984 137HOH OW 1982 4.132 1.785 -0.138
1985 137HOH HW1 1983 4.213 1.785 -0.080
1986 137HOH HW2 1984 4.132 1.867 -0.196
1987 138HOH OW 1985 3.470 2.906 -0.404
1988 138HOH HW1 1986 3.551 2.906 -0.346
1989 138HOH HW2 1987 3.470 2.824 -0.462
1990 139HOH OW 1988 2.687 1.730 1.350
1991 139HOH HW1 1989 2.605 1.730 1.407
1992 139HOH HW2 1990 2.687 1.811 1.292
1993 140HOH OW 1991 3.213 1.105 -0.582
1994 140HOH HW1 1992 3.131 1.105 -0.524
1995 140HOH HW2 1993 3.213 1.023 -0.639
1996 141HOH OW 1994 2.347 4.004 -0.237
1997 141HOH HW1 1995 2.347 4.086 -0.295
1998 141HOH HW2 1996 2.347 3.922 -0.295
1999 142HOH OW 1997 2.139 4.552 -1.104
2000 142HOH HW1 1998 2.221 4.552 -1.046
2001 142HOH HW2 1999 2.057 4.552 -1.046
2002 143HOH OW 2000 3.449 2.658 -0.574
2003 143HOH HW1 2001 3.531 2.658 -0.516
2004 143HOH HW2 2002 3.449 2.739 -0.632
2005 144HOH OW 2003 1.642 3.414 -0.353
2006 144HOH HW1 2004 1.724 3.414 -0.295
2007 144HOH HW2 2005 1.642 3.332 -0.410
2008 145HOH OW 2006 2.137 2.993 0.895
2009 145HOH HW1 2007 2.056 2.993 0.952
2010 145HOH HW2 2008 2.137 3.074 0.837
2011 146HOH OW 2009 4.105 1.254 -0.001
2012 146HOH HW1 2010 4.023 1.254 0.057
2013 146HOH HW2 2011 4.105 1.172 -0.059
2014 147HOH OW 2012 3.279 3.569 0.256
2015 147HOH HW1 2013 3.279 3.650 0.198
2016 147HOH HW2 2014 3.279 3.487 0.198
2017 148HOH OW 2015 4.965 0.896 0.634
2018 148HOH HW1 2016 5.046 0.896 0.692
2019 148HOH HW2 2017 4.883 0.896 0.692
2020 149HOH OW 2018 1.445 3.490 -1.334
2021 149HOH HW1 2019 1.527 3.490 -1.276
2022 149HOH HW2 2020 1.445 3.572 -1.392
2023 150HOH OW 2021 2.293 1.084 0.404
2024 150HOH HW1 2022 2.375 1.084 0.462
2025 150HOH HW2 2023 2.293 1.002 0.347
2026 151HOH OW 2024 1.601 1.849 -0.220
2027 151HOH HW1 2025 1.520 1.849 -0.162
2028 151HOH HW2 2026 1.601 1.931 -0.278
2029 152HOH OW 2027 1.213 2.159 0.304
2030 152HOH HW1 2028 1.131 2.159 0.362
2031 152HOH HW2 2029 1.213 2.077 0.247
2032 153HOH OW 2030 1.568 3.892 -0.581
2033 153HOH HW1 2031 1.568 3.974 -0.639
2034 153HOH HW2 2032 1.568 3.811 -0.639
2035 154HOH OW 2033 1.065 2.423 0.343
2036 154HOH HW1 2034 1.147 2.423 0.401
2037 154HOH HW2 2035 0.984 2.423 0.401
2038 155HOH OW 2036 4.407 1.798 0.285
2039 155HOH HW1 2037 4.489 1.798 0.343
2040 155HOH HW2 2038 4.407 1.879 0.227
2041 156HOH OW 2039 3.203 1.308 -0.811
2042 156HOH HW1 2040 3.285 1.308 -0.753
2043 156HOH HW2 2041 3.203 1.226 -0.869
2044 157HOH OW 2042 3.642 1.961 1.517
2045 157HOH HW1 2043 3.561 1.961 1.575
2046 157HOH HW2 2044 3.642 2.043 1.460
2047 158HOH OW 2045 3.794 3.050 -0.369
2048 158HOH HW1 2046 3.712 3.050 -0.311
2049 158HOH HW2 2047 3.794 2.969 -0.426
2050 159HOH OW 2048 3.071 4.274 -0.629
2051 159HOH HW1 2049 3.071 4.356 -0.687
2052 159HOH HW2 2050 3.071 4.192 -0.687
2053 160HOH OW 2051 2.392 4.437 -0.765
2054 160HOH HW1 2052 2.474 4.437 -0.708
2055 160HOH HW2 2053 2.311 4.437 -0.708
2056 161HOH OW 2054 3.383 3.425 0.063
2057 161HOH HW1 2055 3.465 3.425 0.120
2058 161HOH HW2 2056 3.383 3.507 0.005
2059 162HOH OW 2057 2.961 4.073 -0.960
2060 162HOH HW1 2058 3.043 4.073 -0.902
2061 162HOH HW2 2059 2.961 3.991 -1.018
2062 163HOH OW 2060 2.356 0.799 0.441
2063 163HOH HW1 2061 2.275 0.799 0.498
2064 163HOH HW2 2062 2.356 0.881 0.383
2065 164HOH OW 2063 3.151 4.236 -0.418
2066 164HOH HW1 2064 3.069 4.236 -0.361
2067 164HOH HW2 2065 3.151 4.155 -0.476
2068 165HOH OW 2066 2.188 2.954 -1.501
2069 165HOH HW1 2067 2.188 3.035 -1.559
2070 165HOH HW2 2068 2.188 2.872 -1.559
2071 166HOH OW 2069 3.776 2.091 0.978
2072 166HOH HW1 2070 3.858 2.091 1.036
2073 166HOH HW2 2071 3.695 2.091 1.036
2074 167HOH OW 2072 4.234 1.748 0.516
2075 167HOH HW1 2073 4.315 1.748 0.574
2076 167HOH HW2 2074 4.234 1.830 0.459
2077 168HOH OW 2075 2.334 3.974 -0.436
2078 168HOH HW1 2076 2.416 3.974 -0.378
2079 168HOH HW2 2077 2.334 3.892 -0.494
2080 169HOH OW 2078 2.298 2.922 1.312
2081 169HOH HW1 2079 2.217 2.922 1.370
2082 169HOH HW2 2080 2.298 3.004 1.255
2083 170HOH OW 2081 3.078 0.779 -0.351
2084 170HOH HW1 2082 2.996 0.779 -0.294
2085 170HOH HW2 2083 3.078 0.698 -0.409
2086 171HOH OW 2084 4.297 1.466 0.499
2087 171HOH HW1 2085 4.297 1.547 0.441
2088 171HOH HW2 2086 4.297 1.384 0.441
2089 172HOH OW 2087 3.693 1.795 -1.309
2090 172HOH HW1 2088 3.774 1.795 -1.252
2091 172HOH HW2 2089 3.611 1.795 -1.252
2092 173HOH OW 2090 3.541 2.585 -1.158
2093 173HOH HW1 2091 3.623 2.585 -1.100
2094 173HOH HW2 2092 3.541 2.667 -1.215
2095 174HOH OW 2093 3.743 3.254 -0.579
2096 174HOH HW1 2094 3.824 3.254 -0.521
2097 174HOH HW2 2095 3.743 3.172 -0.636
2098 175HOH OW 2096 3.732 0.859 0.746
2099 175HOH HW1 2097 3.650 0.859 0.803
2100 175HOH HW2 2098 3.732 0.941 0.688
2101 176HOH OW 2099 0.931 3.671 -1.155
2102 176HOH HW1 2100 0.850 3.671 -1.097
2103 176HOH HW2 2101 0.931 3.589 -1.212
2104 177HOH OW 2102 3.997 2.376 -0.266
2105 177HOH HW1 2103 3.997 2.458 -0.323
2106 177HOH HW2 2104 3.997 2.294 -0.323
2107 178HOH OW 2105 2.213 3.027 -0.054
2108 178HOH HW1 2106 2.294 3.027 0.003
2109 178HOH HW2 2107 2.131 3.027 0.003
2110 179HOH OW 2108 2.224 1.581 1.000
2111 179HOH HW1 2109 2.306 1.581 1.058
2112 179HOH HW2 2110 2.224 1.663 0.942
2113 180HOH OW 2111 4.073 0.922 0.029
2114 180HOH HW1 2112 4.155 0.922 0.087
2115 180HOH HW2 2113 4.073 0.841 -0.029
2116 181HOH OW 2114 1.250 1.527 0.410
2117 181HOH HW1 2115 1.168 1.527 0.467
2118 181HOH HW2 2116 1.250 1.608 0.352
2119 182HOH OW 2117 2.037 2.862 -0.235
2120 182HOH HW1 2118 1.956 2.862 -0.178
2121 182HOH HW2 2119 2.037 2.780 -0.293
2122 183HOH OW 2120 2.279 1.546 -0.667
2123 183HOH HW1 2121 2.279 1.628 -0.725
2124 183HOH HW2 2122 2.279 1.465 -0.725
2125 184HOH OW 2123 2.314 3.181 1.512
2126 184HOH HW1 2124 2.395 3.181 1.570
2127 184HOH HW2 2125 2.232 3.181 1.570
2128 185HOH OW 2126 2.267 3.869 0.825
2129 185HOH HW1 2127 2.349 3.869 0.882
2130 185HOH HW2 2128 2.267 3.951 0.767
2131 186HOH OW 2129 3.397 3.311 0.684
2132 186HOH HW1 2130 3.478 3.311 0.741
2133 186HOH HW2 2131 3.397 3.230 0.626
2134 187HOH OW 2132 1.957 2.542 -0.142
2135 187HOH HW1 2133 1.876 2.542 -0.084
2136 187HOH HW2 2134 1.957 2.624 -0.200
2137 188HOH OW 2135 1.479 1.567 0.726
2138 188HOH HW1 2136 1.397 1.567 0.784
2139 188HOH HW2 2137 1.479 1.486 0.668
2140 189HOH OW 2138 1.911 2.802 -1.465
2141 189HOH HW1 2139 1.911 2.884 -1.522
2142 189HOH HW2 2140 1.911 2.721 -1.522
2143 190HOH OW 2141 1.730 3.906 -1.245
2144 190HOH HW1 2142 1.812 3.906 -1.188
2145 190HOH HW2 2143 1.649 3.906 -1.188
2146 191HOH OW 2144 1.620 1.450 0.558
2147 191HOH HW1 2145 1.701 1.450 0.615
2148 191HOH HW2 2146 1.620 1.532 0.500
2149 192HOH OW 2147 1.735 4.635 -0.708
2150 192HOH HW1 2148 1.816 4.635 -0.650
2151 192HOH HW2 2149 1.735 4.553 -0.766
2152 193HOH OW 2150 1.499 3.130 -0.424
2153 193HOH HW1 2151 1.418 3.130 -0.366
2154 193HOH HW2 2152 1.499 3.212 -0.482
2155 194HOH OW 2153 2.820 4.477 -0.315
2156 194HOH HW1 2154 2.738 4.477 -0.257
2157 194HOH HW2 2155 2.820 4.396 -0.373
2158 195HOH OW 2156 2.948 1.386 -0.911
2159 195HOH HW1 2157 2.948 1.468 -0.968
2160 195HOH HW2 2158 2.948 1.305 -0.968
2161 196HOH OW 2159 2.361 4.481 0.261
2162 196HOH HW1 2160 2.443 4.481 0.319
2163 196HOH HW2 2161 2.280 4.481 0.319
2164 197HOH OW 2162 4.057 2.218 -0.636
2165 197HOH HW1 2163 4.139 2.218 -0.578
2166 197HOH HW2 2164 4.057 2.300 -0.694
2167 198HOH OW 2165 1.247 3.186 -0.623
2168 198HOH HW1 2166 1.329 3.186 -0.565
2169 198HOH HW2 2167 1.247 3.104 -0.680
2170 199HOH OW 2168 1.668 1.359 -0.583
2171 199HOH HW1 2169 1.587 1.359 -0.525
2172 199HOH HW2 2170 1.668 1.441 -0.641
2173 200HOH OW 2171 2.753 3.806 -1.286
2174 200HOH HW1 2172 2.672 3.806 -1.228
2175 200HOH HW2 2173 2.753 3.724 -1.344
2176 201HOH OW 2174 2.589 3.597 1.156
2177 201HOH HW1 2175 2.589 3.679 1.099
2178 201HOH HW2 2176 2.589 3.516 1.099
2179 202HOH OW 2177 2.479 2.518 1.606
2180 202HOH HW1 2178 2.561 2.518 1.664
2181 202HOH HW2 2179 2.397 2.518 1.664
2182 203HOH OW 2180 1.258 2.121 0.501
2183 203HOH HW1 2181 1.340 2.121 0.558
2184 203HOH HW2 2182 1.258 2.203 0.443
2185 204HOH OW 2183 1.969 2.375 -0.485
2186 204HOH HW1 2184 2.050 2.375 -0.427
2187 204HOH HW2 2185 1.969 2.293 -0.543
2188 205HOH OW 2186 2.710 3.596 -1.236
2189 205HOH HW1 2187 2.628 3.596 -1.178
2190 205HOH HW2 2188 2.710 3.677 -1.294
2191 206HOH OW 2189 3.726 0.963 1.000
2192 206HOH HW1 2190 3.644 0.963 1.058
2193 206HOH HW2 2191 3.726 0.882 0.942
2194 207HOH OW 2192 4.376 2.384 0.804
2195 207HOH HW1 2193 4.376 2.466 0.746
2196 207HOH HW2 2194 4.376 2.303 0.746
2197 5.90620 6.84510 3.05170