REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mk9_1_H DATA FIRST_RESID 209 DATA SEQUENCE PVQLNLLYVQ ARDDILNGSH PVSFDKACEF AGYQCQIQFG PHNEQKHKPG DATA SEQUENCE FLELKDFLPK EYIKQKGERK IFMAHKNCGN MSEIEAKVRY VKLARSLKTY DATA SEQUENCE GVSFFLVKEK XXXXNKLVPR LLGITKECVM RVDEKTKEVI QEWSLTNIKR DATA SEQUENCE WAASPKSFTL DFGDYQDGYY SVQTTEGEQI AQLIAGYIDI IL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 209 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 209 P C 0.000 177.301 177.300 0.002 0.000 1.155 209 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 209 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 210 V N 1.240 121.154 119.914 0.001 0.000 2.229 210 V HA -0.195 3.926 4.120 0.003 0.000 0.243 210 V C 2.549 178.646 176.094 0.004 0.000 1.042 210 V CA 2.132 64.432 62.300 0.001 0.000 1.000 210 V CB -0.736 31.086 31.823 -0.002 0.000 0.637 210 V HN 0.172 8.362 8.190 -0.000 0.000 0.446 211 Q N -0.394 119.408 119.800 0.003 0.000 2.077 211 Q HA -0.251 4.091 4.340 0.003 0.000 0.206 211 Q C 2.263 178.271 176.000 0.013 0.000 0.989 211 Q CA 1.950 57.756 55.803 0.006 0.000 0.853 211 Q CB -0.854 27.887 28.738 0.005 0.000 0.907 211 Q HN 0.564 8.834 8.270 -0.000 0.000 0.418 212 L N 1.319 122.549 121.223 0.013 0.000 2.017 212 L HA -0.194 4.148 4.340 0.003 0.000 0.208 212 L C 1.908 178.806 176.870 0.047 0.000 1.073 212 L CA 2.268 57.119 54.840 0.019 0.000 0.745 212 L CB -0.999 41.061 42.059 0.001 0.000 0.894 212 L HN 0.199 8.429 8.230 -0.000 0.000 0.432 213 N N -0.669 118.059 118.700 0.047 0.000 2.094 213 N HA -0.231 4.511 4.740 0.003 0.000 0.191 213 N C 1.793 177.332 175.510 0.047 0.000 1.023 213 N CA 2.048 55.149 53.050 0.084 0.000 0.857 213 N CB -0.320 38.195 38.487 0.047 0.000 1.013 213 N HN 0.500 8.880 8.380 -0.000 0.000 0.426 214 L N -0.227 121.004 121.223 0.014 0.000 2.046 214 L HA -0.135 4.206 4.340 0.003 0.000 0.208 214 L C 2.190 179.057 176.870 -0.005 0.000 1.077 214 L CA 0.802 55.634 54.840 -0.013 0.000 0.747 214 L CB -0.513 41.541 42.059 -0.008 0.000 0.896 214 L HN 0.234 8.464 8.230 -0.000 0.000 0.432 215 L N -1.535 119.707 121.223 0.032 0.000 2.141 215 L HA -0.233 4.108 4.340 0.003 0.000 0.209 215 L C 2.659 179.573 176.870 0.074 0.000 1.094 215 L CA 1.003 55.876 54.840 0.055 0.000 0.763 215 L CB -0.563 41.535 42.059 0.065 0.000 0.908 215 L HN 0.238 8.468 8.230 -0.000 0.000 0.437 216 Y N 0.440 120.689 120.300 -0.086 0.000 2.130 216 Y HA -0.181 4.370 4.550 0.002 0.000 0.287 216 Y C 2.390 178.154 175.900 -0.226 0.000 1.124 216 Y CA 1.415 59.406 58.100 -0.182 0.000 1.118 216 Y CB -0.767 37.576 38.460 -0.195 0.000 0.994 216 Y HN -0.164 8.116 8.280 -0.000 0.000 0.497 217 V N 1.247 120.858 119.914 -0.505 0.000 2.278 217 V HA -0.362 3.759 4.120 0.003 0.000 0.251 217 V C 2.597 178.486 176.094 -0.342 0.000 1.062 217 V CA 2.374 64.342 62.300 -0.554 0.000 1.038 217 V CB -0.852 30.780 31.823 -0.319 0.000 0.646 217 V HN 0.431 8.621 8.190 -0.000 0.000 0.447 218 Q N -0.231 119.458 119.800 -0.185 0.000 2.030 218 Q HA -0.214 4.127 4.340 0.003 0.000 0.204 218 Q C 2.386 178.343 176.000 -0.073 0.000 0.986 218 Q CA 2.453 58.196 55.803 -0.101 0.000 0.843 218 Q CB -0.599 28.119 28.738 -0.034 0.000 0.904 218 Q HN 0.647 8.917 8.270 -0.000 0.000 0.420 219 A N 0.760 123.565 122.820 -0.025 0.000 1.930 219 A HA -0.176 4.146 4.320 0.003 0.000 0.217 219 A C 2.192 179.763 177.584 -0.022 0.000 1.175 219 A CA 1.475 53.561 52.037 0.082 0.000 0.627 219 A CB -0.549 18.584 19.000 0.222 0.000 0.815 219 A HN 0.354 8.504 8.150 -0.000 0.000 0.443 220 R N -0.074 120.271 120.500 -0.258 0.000 2.082 220 R HA -0.200 4.142 4.340 0.003 0.000 0.234 220 R C 1.577 177.761 176.300 -0.193 0.000 1.136 220 R CA 2.151 58.054 56.100 -0.327 0.000 0.935 220 R CB -0.516 29.355 30.300 -0.715 0.000 0.842 220 R HN 0.440 8.710 8.270 -0.000 0.000 0.430 221 D N 0.728 120.997 120.400 -0.217 0.000 2.116 221 D HA -0.172 4.469 4.640 0.003 0.000 0.193 221 D C 1.544 177.788 176.300 -0.093 0.000 0.998 221 D CA 1.577 55.486 54.000 -0.152 0.000 0.836 221 D CB -0.674 40.036 40.800 -0.150 0.000 0.951 221 D HN 0.317 8.687 8.370 -0.000 0.000 0.449 222 D N -0.234 120.128 120.400 -0.063 0.000 2.228 222 D HA -0.111 4.531 4.640 0.003 0.000 0.203 222 D C 2.061 178.358 176.300 -0.004 0.000 0.988 222 D CA 0.496 54.485 54.000 -0.018 0.000 0.864 222 D CB -0.082 40.731 40.800 0.023 0.000 0.928 222 D HN 0.332 8.702 8.370 -0.000 0.000 0.469 223 I N -0.476 120.063 120.570 -0.051 0.000 2.512 223 I HA -0.088 4.083 4.170 0.003 0.000 0.247 223 I C 2.187 178.267 176.117 -0.062 0.000 1.094 223 I CA 0.210 61.449 61.300 -0.102 0.000 1.427 223 I CB 0.020 37.874 38.000 -0.244 0.000 1.149 223 I HN -0.052 8.158 8.210 -0.000 0.000 0.438 224 L N 1.214 122.398 121.223 -0.065 0.000 2.079 224 L HA -0.219 4.122 4.340 0.003 0.000 0.210 224 L C 1.374 178.218 176.870 -0.044 0.000 1.081 224 L CA 1.763 56.572 54.840 -0.050 0.000 0.752 224 L CB -0.753 41.252 42.059 -0.090 0.000 0.896 224 L HN 0.522 8.752 8.230 -0.000 0.000 0.433 225 N N -0.382 118.285 118.700 -0.054 0.000 2.558 225 N HA 0.120 4.861 4.740 0.003 0.000 0.281 225 N C 0.855 176.336 175.510 -0.048 0.000 1.219 225 N CA 0.248 53.268 53.050 -0.050 0.000 0.942 225 N CB 0.302 38.754 38.487 -0.057 0.000 1.241 225 N HN 0.133 8.513 8.380 -0.000 0.000 0.511 226 G N 0.399 109.173 108.800 -0.044 0.000 2.410 226 G HA2 -0.312 3.649 3.960 0.003 0.000 0.286 226 G HA3 -0.312 3.649 3.960 0.003 0.000 0.286 226 G C 0.554 175.420 174.900 -0.057 0.000 0.884 226 G CA 0.792 45.860 45.100 -0.053 0.000 1.130 226 G HN 0.498 8.788 8.290 -0.000 0.000 0.492 227 S N -1.424 114.254 115.700 -0.036 0.000 2.497 227 S HA 0.122 4.594 4.470 0.003 0.000 0.218 227 S C 0.778 175.391 174.600 0.021 0.000 1.023 227 S CA 0.168 58.350 58.200 -0.029 0.000 0.913 227 S CB 0.312 63.490 63.200 -0.037 0.000 0.800 227 S HN 0.798 9.108 8.310 -0.000 0.000 0.505 228 H N 1.904 120.913 119.070 -0.102 0.000 2.786 228 H HA 0.336 4.893 4.556 0.002 0.000 0.284 228 H C -3.161 172.084 175.328 -0.137 0.000 1.104 228 H CA -2.578 53.409 56.048 -0.102 0.000 1.339 228 H CB 0.774 30.507 29.762 -0.049 0.000 1.427 228 H HN 0.014 8.294 8.280 -0.000 0.000 0.497 229 P HA -0.072 4.348 4.420 -0.000 0.000 0.263 229 P C -0.910 176.328 177.300 -0.103 0.000 1.195 229 P CA 0.136 63.126 63.100 -0.183 0.000 0.762 229 P CB 0.777 32.202 31.700 -0.458 0.000 0.799 230 V N 0.447 120.350 119.914 -0.018 0.000 3.007 230 V HA 0.729 4.850 4.120 0.003 0.000 0.311 230 V C -0.097 176.110 176.094 0.188 0.000 1.120 230 V CA -1.131 61.197 62.300 0.046 0.000 0.980 230 V CB 1.854 33.695 31.823 0.031 0.000 1.033 230 V HN 0.498 8.688 8.190 -0.000 0.000 0.429 231 S N 2.126 117.902 115.700 0.126 0.000 2.592 231 S HA 0.381 4.853 4.470 0.003 0.000 0.271 231 S C 0.738 175.283 174.600 -0.092 0.000 1.326 231 S CA 0.156 58.447 58.200 0.152 0.000 1.024 231 S CB 0.630 63.886 63.200 0.093 0.000 0.921 231 S HN 1.163 9.473 8.310 -0.000 0.000 0.527 232 F N 2.087 121.805 119.950 -0.387 0.000 2.039 232 F HA -0.269 4.260 4.527 0.003 0.000 0.296 232 F C 1.805 177.303 175.800 -0.504 0.000 1.119 232 F CA 2.735 60.182 58.000 -0.921 0.000 1.211 232 F CB -1.086 37.677 39.000 -0.395 0.000 0.956 232 F HN 0.817 9.117 8.300 -0.000 0.000 0.496 233 D N 0.054 120.356 120.400 -0.164 0.000 2.177 233 D HA -0.245 4.397 4.640 0.003 0.000 0.189 233 D C 2.236 178.330 176.300 -0.343 0.000 1.002 233 D CA 2.208 56.076 54.000 -0.220 0.000 0.845 233 D CB -0.137 40.619 40.800 -0.074 0.000 0.960 233 D HN 0.108 8.478 8.370 -0.000 0.000 0.447 234 K N 0.305 120.540 120.400 -0.274 0.000 2.074 234 K HA -0.116 4.206 4.320 0.003 0.000 0.209 234 K C 2.087 178.491 176.600 -0.328 0.000 1.048 234 K CA 1.148 57.225 56.287 -0.350 0.000 0.926 234 K CB -0.773 31.617 32.500 -0.182 0.000 0.713 234 K HN 0.188 8.438 8.250 -0.000 0.000 0.444 235 A N 0.880 123.566 122.820 -0.223 0.000 1.948 235 A HA -0.224 4.097 4.320 0.003 0.000 0.220 235 A C 2.628 180.093 177.584 -0.199 0.000 1.177 235 A CA 1.956 53.925 52.037 -0.114 0.000 0.636 235 A CB -0.965 17.774 19.000 -0.435 0.000 0.815 235 A HN 0.420 8.570 8.150 -0.000 0.000 0.449 236 C N -1.369 117.661 119.300 -0.449 0.000 2.467 236 C HA 0.042 4.503 4.460 0.003 0.000 0.279 236 C C 2.543 177.347 174.990 -0.309 0.000 1.347 236 C CA 0.834 59.613 59.018 -0.399 0.000 1.748 236 C CB -1.013 26.404 27.740 -0.539 0.000 1.977 236 C HN 0.785 9.015 8.230 -0.000 0.000 0.501 237 E N 0.324 120.277 120.200 -0.412 0.000 2.106 237 E HA -0.152 4.199 4.350 0.003 0.000 0.192 237 E C 1.676 177.975 176.600 -0.501 0.000 0.984 237 E CA 1.213 57.305 56.400 -0.514 0.000 0.806 237 E CB -0.157 29.169 29.700 -0.622 0.000 0.750 237 E HN 0.702 9.062 8.360 -0.000 0.000 0.458 238 F N 0.553 120.329 119.950 -0.291 0.000 2.146 238 F HA -0.102 4.426 4.527 0.002 0.000 0.298 238 F C 2.448 178.286 175.800 0.063 0.000 1.096 238 F CA 0.752 58.572 58.000 -0.300 0.000 1.275 238 F CB -0.233 38.536 39.000 -0.385 0.000 1.008 238 F HN 0.112 8.412 8.300 -0.000 0.000 0.480 239 A N 0.279 123.237 122.820 0.231 0.000 2.015 239 A HA -0.038 4.284 4.320 0.003 0.000 0.219 239 A C 2.438 180.145 177.584 0.206 0.000 1.163 239 A CA 1.539 53.766 52.037 0.317 0.000 0.646 239 A CB -1.490 17.634 19.000 0.208 0.000 0.806 239 A HN 0.413 8.563 8.150 -0.000 0.000 0.448 240 G N -1.880 106.919 108.800 -0.002 0.000 2.422 240 G HA2 -0.158 3.804 3.960 0.003 0.000 0.218 240 G HA3 -0.158 3.804 3.960 0.003 0.000 0.218 240 G C 1.443 176.319 174.900 -0.040 0.000 1.140 240 G CA 1.016 46.066 45.100 -0.083 0.000 0.775 240 G HN 0.638 8.928 8.290 -0.000 0.000 0.545 241 Y N -0.367 120.017 120.300 0.140 0.000 2.365 241 Y HA 0.035 4.587 4.550 0.003 0.000 0.293 241 Y C 3.053 179.085 175.900 0.221 0.000 1.119 241 Y CA 0.839 59.042 58.100 0.172 0.000 1.203 241 Y CB 0.152 38.763 38.460 0.252 0.000 1.026 241 Y HN 0.200 8.480 8.280 -0.000 0.000 0.549 242 Q N -0.239 119.864 119.800 0.505 0.000 2.124 242 Q HA -0.216 4.125 4.340 0.003 0.000 0.202 242 Q C 2.155 178.416 176.000 0.435 0.000 0.977 242 Q CA 1.932 58.007 55.803 0.454 0.000 0.850 242 Q CB -0.230 28.761 28.738 0.420 0.000 0.901 242 Q HN 0.511 8.781 8.270 -0.000 0.000 0.429 243 C N 0.072 119.606 119.300 0.391 0.000 2.446 243 C HA -0.112 4.349 4.460 0.003 0.000 0.277 243 C C 2.609 177.580 174.990 -0.030 0.000 1.275 243 C CA 0.917 60.101 59.018 0.277 0.000 1.727 243 C CB -0.885 26.724 27.740 -0.219 0.000 2.010 243 C HN 0.615 8.845 8.230 -0.000 0.000 0.486 244 Q N 1.118 120.801 119.800 -0.194 0.000 2.030 244 Q HA -0.122 4.219 4.340 0.003 0.000 0.204 244 Q C 1.855 177.899 176.000 0.073 0.000 0.986 244 Q CA 1.908 57.711 55.803 -0.000 0.000 0.843 244 Q CB -0.421 28.419 28.738 0.170 0.000 0.904 244 Q HN 0.679 8.949 8.270 -0.000 0.000 0.420 245 I N -0.223 120.384 120.570 0.061 0.000 2.226 245 I HA -0.292 3.880 4.170 0.003 0.000 0.245 245 I C 2.563 178.663 176.117 -0.029 0.000 1.100 245 I CA 1.460 62.763 61.300 0.004 0.000 1.374 245 I CB -0.302 37.670 38.000 -0.047 0.000 1.057 245 I HN 0.347 8.557 8.210 -0.000 0.000 0.413 246 Q N -0.098 119.654 119.800 -0.080 0.000 2.163 246 Q HA -0.047 4.295 4.340 0.003 0.000 0.198 246 Q C 1.523 177.132 176.000 -0.653 0.000 0.954 246 Q CA 1.296 56.859 55.803 -0.400 0.000 0.851 246 Q CB 0.276 28.674 28.738 -0.567 0.000 0.928 246 Q HN 0.465 8.735 8.270 -0.000 0.000 0.459 247 F N -0.896 119.145 119.950 0.152 0.000 2.682 247 F HA 0.346 4.875 4.527 0.003 0.000 0.308 247 F C 0.954 176.869 175.800 0.192 0.000 1.093 247 F CA 0.242 58.363 58.000 0.200 0.000 1.244 247 F CB 0.816 39.966 39.000 0.251 0.000 1.052 247 F HN 0.042 8.342 8.300 -0.000 0.000 0.573 248 G N 0.979 109.924 108.800 0.242 0.000 2.829 248 G HA2 -0.193 3.769 3.960 0.003 0.000 0.628 248 G HA3 -0.193 3.769 3.960 0.003 0.000 0.628 248 G C -2.777 172.332 174.900 0.349 0.000 1.412 248 G CA -1.566 43.673 45.100 0.232 0.000 0.864 248 G HN -0.004 8.286 8.290 -0.000 0.000 0.544 249 P HA -0.022 4.398 4.420 -0.000 0.000 0.267 249 P C 0.399 177.858 177.300 0.264 0.000 1.175 249 P CA 0.291 63.567 63.100 0.294 0.000 0.763 249 P CB 0.211 32.013 31.700 0.170 0.000 0.795 250 H N 3.955 122.925 119.070 -0.166 0.000 3.034 250 H HA -0.022 4.535 4.556 0.003 0.000 0.324 250 H C 0.062 175.398 175.328 0.014 0.000 1.015 250 H CA 0.955 56.715 56.048 -0.479 0.000 1.429 250 H CB 0.059 29.333 29.762 -0.814 0.000 1.429 250 H HN 0.338 8.618 8.280 -0.000 0.000 0.585 251 N N 5.058 123.857 118.700 0.166 0.000 2.776 251 N HA -0.000 4.741 4.740 0.003 0.000 0.245 251 N C 0.229 175.541 175.510 -0.329 0.000 1.121 251 N CA -0.328 52.653 53.050 -0.115 0.000 0.852 251 N CB 0.546 38.839 38.487 -0.324 0.000 1.142 251 N HN 0.692 9.072 8.380 -0.000 0.000 0.514 252 E N 0.948 121.134 120.200 -0.022 0.000 2.444 252 E HA -0.253 4.099 4.350 0.003 0.000 0.205 252 E C 0.937 177.419 176.600 -0.196 0.000 1.054 252 E CA 1.166 57.561 56.400 -0.008 0.000 0.873 252 E CB 0.330 30.063 29.700 0.055 0.000 0.793 252 E HN 0.748 9.108 8.360 -0.000 0.000 0.549 253 Q N 0.424 120.059 119.800 -0.275 0.000 2.107 253 Q HA -0.032 4.310 4.340 0.003 0.000 0.195 253 Q C 1.948 177.717 176.000 -0.385 0.000 0.964 253 Q CA 0.742 56.384 55.803 -0.268 0.000 0.833 253 Q CB -0.204 28.403 28.738 -0.218 0.000 0.910 253 Q HN -0.063 8.207 8.270 -0.000 0.000 0.465 254 K N 0.839 120.879 120.400 -0.600 0.000 2.361 254 K HA 0.008 4.329 4.320 0.003 0.000 0.196 254 K C -0.125 175.815 176.600 -1.100 0.000 1.039 254 K CA 0.524 56.339 56.287 -0.787 0.000 1.001 254 K CB 0.241 32.226 32.500 -0.860 0.000 0.795 254 K HN 0.274 8.524 8.250 -0.000 0.000 0.495 255 H N 1.193 119.739 119.070 -0.874 0.000 2.508 255 H HA 0.206 4.763 4.556 0.003 0.000 0.224 255 H C -0.922 173.538 175.328 -1.447 0.000 1.723 255 H CA -0.664 54.685 56.048 -1.165 0.000 1.251 255 H CB 0.181 29.170 29.762 -1.289 0.000 1.627 255 H HN 0.031 8.311 8.280 -0.000 0.000 0.543 256 K N 0.163 120.162 120.400 -0.668 0.000 2.426 256 K HA 0.450 4.771 4.320 0.003 0.000 0.251 256 K C -3.264 173.487 176.600 0.251 0.000 0.941 256 K CA -2.681 53.403 56.287 -0.339 0.000 0.808 256 K CB 1.785 34.180 32.500 -0.176 0.000 1.265 256 K HN -0.086 8.164 8.250 -0.000 0.000 0.432 257 P HA -0.228 4.192 4.420 -0.000 0.000 0.258 257 P C 0.652 178.093 177.300 0.235 0.000 1.128 257 P CA 2.328 65.645 63.100 0.362 0.000 0.760 257 P CB 0.021 31.849 31.700 0.214 0.000 0.715 258 G N 3.027 111.942 108.800 0.191 0.000 2.376 258 G HA2 -0.342 3.620 3.960 0.003 0.000 0.208 258 G HA3 -0.342 3.620 3.960 0.003 0.000 0.208 258 G C 0.754 175.731 174.900 0.129 0.000 1.032 258 G CA 0.141 45.314 45.100 0.122 0.000 0.641 258 G HN 0.529 8.819 8.290 -0.000 0.000 0.503 259 F N 1.527 121.524 119.950 0.079 0.000 2.408 259 F HA 0.490 5.018 4.527 0.002 0.000 0.300 259 F C 0.690 176.486 175.800 -0.008 0.000 1.090 259 F CA 0.604 58.629 58.000 0.042 0.000 1.427 259 F CB 0.067 39.094 39.000 0.045 0.000 1.070 259 F HN 0.170 8.470 8.300 -0.000 0.000 0.549 260 L N 1.781 122.733 121.223 -0.452 0.000 2.313 260 L HA 0.305 4.647 4.340 0.003 0.000 0.283 260 L C -0.293 176.377 176.870 -0.334 0.000 1.013 260 L CA -0.832 53.594 54.840 -0.691 0.000 0.816 260 L CB 0.946 42.493 42.059 -0.853 0.000 1.236 260 L HN 0.052 8.282 8.230 -0.000 0.000 0.419 261 E N 4.040 124.114 120.200 -0.209 0.000 1.985 261 E HA 0.063 4.415 4.350 0.003 0.000 0.268 261 E C 0.907 177.538 176.600 0.052 0.000 1.219 261 E CA -0.030 56.349 56.400 -0.035 0.000 0.942 261 E CB 0.308 30.027 29.700 0.031 0.000 1.045 261 E HN 0.667 9.027 8.360 -0.000 0.000 0.413 262 L N 4.069 125.296 121.223 0.008 0.000 2.189 262 L HA -0.252 4.089 4.340 0.003 0.000 0.214 262 L C 2.401 179.347 176.870 0.126 0.000 1.097 262 L CA 1.178 56.056 54.840 0.062 0.000 0.764 262 L CB -0.394 41.680 42.059 0.024 0.000 0.900 262 L HN 0.541 8.771 8.230 -0.000 0.000 0.436 263 K N 0.242 120.696 120.400 0.091 0.000 2.059 263 K HA -0.228 4.093 4.320 0.003 0.000 0.212 263 K C 1.356 177.999 176.600 0.072 0.000 1.050 263 K CA 1.994 58.324 56.287 0.070 0.000 0.927 263 K CB -0.055 32.473 32.500 0.047 0.000 0.714 263 K HN 0.421 8.671 8.250 -0.000 0.000 0.447 264 D N -1.184 119.278 120.400 0.103 0.000 2.340 264 D HA -0.050 4.591 4.640 0.003 0.000 0.220 264 D C 0.906 177.138 176.300 -0.113 0.000 1.039 264 D CA 0.657 54.659 54.000 0.003 0.000 0.866 264 D CB 0.173 40.963 40.800 -0.018 0.000 0.913 264 D HN 0.220 8.590 8.370 -0.000 0.000 0.523 265 F N 0.078 120.030 119.950 0.004 0.000 2.724 265 F HA 0.279 4.808 4.527 0.002 0.000 0.306 265 F C 0.651 176.467 175.800 0.026 0.000 1.100 265 F CA 0.080 58.090 58.000 0.018 0.000 1.255 265 F CB 0.789 39.779 39.000 -0.018 0.000 1.072 265 F HN -0.257 8.043 8.300 -0.000 0.000 0.589 266 L N -0.865 120.456 121.223 0.163 0.000 2.415 266 L HA 0.477 4.818 4.340 0.003 0.000 0.256 266 L C -2.675 174.274 176.870 0.131 0.000 1.010 266 L CA -2.337 52.590 54.840 0.145 0.000 0.826 266 L CB 1.854 44.004 42.059 0.151 0.000 1.405 266 L HN -0.353 7.877 8.230 -0.000 0.000 0.410 267 P HA 0.069 4.489 4.420 -0.000 0.000 0.268 267 P C 0.202 177.531 177.300 0.048 0.000 1.205 267 P CA -0.303 62.851 63.100 0.090 0.000 0.771 267 P CB 0.754 32.519 31.700 0.109 0.000 0.858 268 K N 3.037 123.434 120.400 -0.005 0.000 2.117 268 K HA -0.318 4.003 4.320 0.003 0.000 0.215 268 K C 1.703 178.273 176.600 -0.050 0.000 1.053 268 K CA 2.502 58.778 56.287 -0.019 0.000 0.935 268 K CB -0.160 32.319 32.500 -0.036 0.000 0.719 268 K HN 0.634 8.884 8.250 -0.000 0.000 0.460 269 E N -0.942 119.163 120.200 -0.159 0.000 2.130 269 E HA -0.240 4.111 4.350 0.003 0.000 0.196 269 E C 1.466 177.922 176.600 -0.240 0.000 0.998 269 E CA 1.710 57.939 56.400 -0.285 0.000 0.806 269 E CB -0.465 28.914 29.700 -0.535 0.000 0.738 269 E HN 0.600 8.960 8.360 -0.000 0.000 0.459 270 Y N 0.383 120.745 120.300 0.104 0.000 2.482 270 Y HA 0.234 4.785 4.550 0.002 0.000 0.270 270 Y C 1.968 177.962 175.900 0.157 0.000 1.152 270 Y CA -0.532 57.680 58.100 0.187 0.000 1.292 270 Y CB 0.092 38.679 38.460 0.210 0.000 1.070 270 Y HN -0.040 8.239 8.280 -0.000 0.000 0.528 271 I N 0.863 121.556 120.570 0.205 0.000 2.044 271 I HA -0.435 3.736 4.170 0.003 0.000 0.234 271 I C 2.625 178.825 176.117 0.138 0.000 1.031 271 I CA 1.825 63.210 61.300 0.142 0.000 1.305 271 I CB -0.385 37.664 38.000 0.082 0.000 1.026 271 I HN 0.134 8.344 8.210 -0.000 0.000 0.392 272 K N 0.877 121.337 120.400 0.099 0.000 2.107 272 K HA -0.270 4.051 4.320 0.003 0.000 0.211 272 K C 1.359 178.011 176.600 0.087 0.000 1.049 272 K CA 1.834 58.167 56.287 0.077 0.000 0.927 272 K CB -0.195 32.332 32.500 0.045 0.000 0.714 272 K HN 0.441 8.691 8.250 -0.000 0.000 0.452 273 Q N 1.932 121.805 119.800 0.122 0.000 2.336 273 Q HA 0.025 4.366 4.340 0.003 0.000 0.231 273 Q C -0.900 175.181 176.000 0.135 0.000 0.900 273 Q CA 0.097 55.942 55.803 0.070 0.000 0.966 273 Q CB -0.121 28.620 28.738 0.005 0.000 1.219 273 Q HN 0.119 8.389 8.270 -0.000 0.000 0.412 274 K N 0.701 121.180 120.400 0.131 0.000 2.355 274 K HA -0.207 4.114 4.320 0.003 0.000 0.238 274 K C 0.885 177.602 176.600 0.195 0.000 1.303 274 K CA 0.498 56.870 56.287 0.142 0.000 1.264 274 K CB -0.601 31.948 32.500 0.081 0.000 0.752 274 K HN 0.556 8.806 8.250 -0.000 0.000 0.542 275 G N 2.074 111.041 108.800 0.277 0.000 3.088 275 G HA2 -0.127 3.835 3.960 0.003 0.000 0.217 275 G HA3 -0.127 3.835 3.960 0.003 0.000 0.217 275 G C 1.121 176.029 174.900 0.013 0.000 1.159 275 G CA 0.050 45.310 45.100 0.267 0.000 0.760 275 G HN 0.699 8.989 8.290 -0.000 0.000 0.550 276 E N 0.907 121.083 120.200 -0.040 0.000 2.149 276 E HA -0.308 4.043 4.350 0.003 0.000 0.215 276 E C 2.484 179.010 176.600 -0.123 0.000 1.055 276 E CA 1.481 57.767 56.400 -0.191 0.000 0.870 276 E CB -0.064 29.559 29.700 -0.127 0.000 0.764 276 E HN 0.171 8.531 8.360 -0.000 0.000 0.463 277 R N 0.311 120.841 120.500 0.051 0.000 2.113 277 R HA -0.175 4.167 4.340 0.003 0.000 0.244 277 R C 2.287 178.639 176.300 0.087 0.000 1.142 277 R CA 1.977 58.156 56.100 0.132 0.000 0.953 277 R CB -0.362 30.005 30.300 0.112 0.000 0.860 277 R HN 0.302 8.572 8.270 -0.000 0.000 0.438 278 K N -0.127 120.288 120.400 0.027 0.000 2.148 278 K HA -0.032 4.289 4.320 0.003 0.000 0.204 278 K C 2.217 178.770 176.600 -0.079 0.000 1.050 278 K CA 0.983 57.257 56.287 -0.022 0.000 0.942 278 K CB -0.099 32.373 32.500 -0.047 0.000 0.724 278 K HN 0.172 8.422 8.250 -0.000 0.000 0.446 279 I N 0.272 120.754 120.570 -0.147 0.000 2.142 279 I HA -0.272 3.900 4.170 0.003 0.000 0.240 279 I C 1.914 178.015 176.117 -0.026 0.000 1.078 279 I CA 1.578 62.764 61.300 -0.189 0.000 1.343 279 I CB -0.290 37.493 38.000 -0.361 0.000 1.046 279 I HN 0.102 8.312 8.210 -0.000 0.000 0.405 280 F N 0.236 120.225 119.950 0.065 0.000 2.494 280 F HA -0.161 4.367 4.527 0.003 0.000 0.298 280 F C 2.405 178.235 175.800 0.050 0.000 1.106 280 F CA 0.477 58.581 58.000 0.174 0.000 1.452 280 F CB -0.149 38.978 39.000 0.212 0.000 1.085 280 F HN 0.077 8.377 8.300 -0.000 0.000 0.569 281 M N -0.927 118.765 119.600 0.154 0.000 2.357 281 M HA 0.012 4.493 4.480 0.003 0.000 0.266 281 M C 2.447 178.732 176.300 -0.025 0.000 1.095 281 M CA 1.110 56.421 55.300 0.017 0.000 1.156 281 M CB -0.355 32.246 32.600 0.001 0.000 1.365 281 M HN 0.097 8.387 8.290 -0.000 0.000 0.447 282 A N -0.608 122.196 122.820 -0.028 0.000 2.016 282 A HA -0.145 4.176 4.320 0.003 0.000 0.217 282 A C 1.869 179.442 177.584 -0.018 0.000 1.162 282 A CA 1.269 53.241 52.037 -0.108 0.000 0.662 282 A CB -1.036 17.834 19.000 -0.217 0.000 0.812 282 A HN 0.582 8.732 8.150 -0.000 0.000 0.450 283 H N -0.317 118.749 119.070 -0.006 0.000 2.261 283 H HA -0.158 4.400 4.556 0.002 0.000 0.301 283 H C 2.257 177.626 175.328 0.068 0.000 1.067 283 H CA 1.662 57.770 56.048 0.101 0.000 1.297 283 H CB -0.000 29.945 29.762 0.306 0.000 1.377 283 H HN 0.337 8.617 8.280 -0.000 0.000 0.492 284 K N 0.960 121.301 120.400 -0.098 0.000 2.077 284 K HA -0.206 4.116 4.320 0.003 0.000 0.213 284 K C 1.393 177.923 176.600 -0.116 0.000 1.051 284 K CA 2.087 58.166 56.287 -0.347 0.000 0.929 284 K CB -0.319 31.844 32.500 -0.562 0.000 0.715 284 K HN 0.291 8.541 8.250 -0.000 0.000 0.451 285 N N -0.506 118.154 118.700 -0.067 0.000 2.617 285 N HA -0.040 4.701 4.740 0.003 0.000 0.198 285 N C -0.129 175.393 175.510 0.021 0.000 1.317 285 N CA 0.573 53.602 53.050 -0.035 0.000 0.892 285 N CB -0.308 38.146 38.487 -0.054 0.000 1.041 285 N HN 0.281 8.661 8.380 -0.000 0.000 0.450 286 C N -1.380 117.967 119.300 0.079 0.000 3.038 286 C HA 0.441 4.902 4.460 0.003 0.000 0.279 286 C C 1.812 176.877 174.990 0.125 0.000 1.276 286 C CA -0.128 58.980 59.018 0.150 0.000 1.697 286 C CB -1.122 26.774 27.740 0.261 0.000 2.032 286 C HN 0.581 8.811 8.230 -0.000 0.000 0.636 287 G N 2.561 111.406 108.800 0.076 0.000 2.660 287 G HA2 -0.323 3.639 3.960 0.003 0.000 0.321 287 G HA3 -0.323 3.639 3.960 0.003 0.000 0.321 287 G C 0.323 175.274 174.900 0.086 0.000 1.246 287 G CA 1.019 46.155 45.100 0.060 0.000 1.000 287 G HN 0.465 8.755 8.290 -0.000 0.000 0.550 288 N N 0.645 119.391 118.700 0.077 0.000 2.351 288 N HA 0.228 4.969 4.740 0.003 0.000 0.254 288 N C 0.730 176.289 175.510 0.082 0.000 1.241 288 N CA 0.155 53.255 53.050 0.084 0.000 0.883 288 N CB 0.427 38.950 38.487 0.061 0.000 1.202 288 N HN 0.703 9.083 8.380 -0.000 0.000 0.512 289 M N 1.770 121.427 119.600 0.094 0.000 2.240 289 M HA -0.057 4.424 4.480 0.003 0.000 0.346 289 M C 0.467 176.810 176.300 0.071 0.000 1.236 289 M CA 0.395 55.743 55.300 0.080 0.000 0.986 289 M CB 0.484 33.150 32.600 0.110 0.000 1.786 289 M HN 0.213 8.503 8.290 -0.000 0.000 0.457 290 S N 3.006 118.729 115.700 0.038 0.000 2.608 290 S HA 0.051 4.522 4.470 0.003 0.000 0.261 290 S C 0.761 175.366 174.600 0.008 0.000 1.314 290 S CA -0.230 57.985 58.200 0.025 0.000 0.992 290 S CB 1.097 64.302 63.200 0.008 0.000 0.935 290 S HN 0.898 9.208 8.310 -0.000 0.000 0.564 291 E N -0.382 119.820 120.200 0.002 0.000 2.265 291 E HA -0.147 4.204 4.350 0.003 0.000 0.196 291 E C 0.891 177.448 176.600 -0.071 0.000 0.996 291 E CA 0.876 57.262 56.400 -0.023 0.000 0.832 291 E CB -0.054 29.640 29.700 -0.010 0.000 0.756 291 E HN 0.689 9.049 8.360 -0.000 0.000 0.491 292 I N 0.524 121.058 120.570 -0.061 0.000 3.081 292 I HA -0.034 4.138 4.170 0.003 0.000 0.274 292 I C 2.269 178.323 176.117 -0.105 0.000 1.178 292 I CA 0.543 61.794 61.300 -0.083 0.000 1.460 292 I CB -1.032 36.939 38.000 -0.049 0.000 1.137 292 I HN 0.192 8.402 8.210 -0.000 0.000 0.443 293 E N 1.934 122.085 120.200 -0.082 0.000 2.051 293 E HA -0.193 4.158 4.350 0.003 0.000 0.192 293 E C 2.307 178.803 176.600 -0.172 0.000 0.991 293 E CA 1.597 57.941 56.400 -0.093 0.000 0.799 293 E CB 0.149 29.820 29.700 -0.048 0.000 0.748 293 E HN 0.372 8.732 8.360 -0.000 0.000 0.449 294 A N 1.330 124.043 122.820 -0.178 0.000 1.902 294 A HA -0.214 4.108 4.320 0.003 0.000 0.217 294 A C 2.020 179.360 177.584 -0.407 0.000 1.181 294 A CA 1.712 53.567 52.037 -0.304 0.000 0.623 294 A CB -0.387 18.571 19.000 -0.069 0.000 0.818 294 A HN 0.179 8.329 8.150 -0.000 0.000 0.443 295 K N -0.435 119.732 120.400 -0.389 0.000 2.032 295 K HA -0.102 4.220 4.320 0.003 0.000 0.209 295 K C 1.894 178.346 176.600 -0.245 0.000 1.048 295 K CA 1.501 57.480 56.287 -0.513 0.000 0.927 295 K CB -0.564 31.662 32.500 -0.456 0.000 0.712 295 K HN 0.289 8.539 8.250 -0.000 0.000 0.441 296 V N 1.672 121.475 119.914 -0.186 0.000 2.332 296 V HA -0.267 3.855 4.120 0.003 0.000 0.248 296 V C 2.274 178.291 176.094 -0.129 0.000 1.055 296 V CA 1.773 64.003 62.300 -0.116 0.000 1.038 296 V CB -0.495 31.269 31.823 -0.099 0.000 0.651 296 V HN 0.300 8.490 8.190 -0.000 0.000 0.450 297 R N -1.693 118.652 120.500 -0.259 0.000 2.148 297 R HA -0.138 4.204 4.340 0.003 0.000 0.227 297 R C 2.253 178.392 176.300 -0.268 0.000 1.103 297 R CA 1.626 57.521 56.100 -0.342 0.000 0.983 297 R CB -0.371 29.535 30.300 -0.657 0.000 0.874 297 R HN 0.678 8.948 8.270 -0.000 0.000 0.451 298 Y N 0.654 120.732 120.300 -0.370 0.000 2.153 298 Y HA -0.209 4.342 4.550 0.003 0.000 0.289 298 Y C 2.139 178.134 175.900 0.159 0.000 1.127 298 Y CA 1.130 59.248 58.100 0.029 0.000 1.131 298 Y CB 0.079 38.571 38.460 0.053 0.000 0.995 298 Y HN -0.238 8.042 8.280 -0.000 0.000 0.505 299 V N 0.683 120.817 119.914 0.367 0.000 2.407 299 V HA -0.311 3.811 4.120 0.003 0.000 0.248 299 V C 2.121 178.282 176.094 0.112 0.000 1.055 299 V CA 2.179 64.632 62.300 0.254 0.000 1.049 299 V CB -0.593 31.307 31.823 0.127 0.000 0.662 299 V HN 0.315 8.505 8.190 -0.000 0.000 0.455 300 K N -0.528 119.906 120.400 0.056 0.000 2.057 300 K HA -0.126 4.195 4.320 0.003 0.000 0.206 300 K C 2.072 178.686 176.600 0.024 0.000 1.050 300 K CA 1.148 57.434 56.287 -0.003 0.000 0.935 300 K CB -0.298 32.188 32.500 -0.022 0.000 0.715 300 K HN 0.283 8.533 8.250 -0.000 0.000 0.439 301 L N 0.956 122.230 121.223 0.085 0.000 2.046 301 L HA -0.135 4.206 4.340 0.003 0.000 0.208 301 L C 2.069 179.079 176.870 0.234 0.000 1.077 301 L CA 1.951 56.850 54.840 0.098 0.000 0.747 301 L CB -0.776 41.289 42.059 0.011 0.000 0.896 301 L HN 0.139 8.369 8.230 -0.000 0.000 0.432 302 A N -0.523 122.515 122.820 0.363 0.000 1.902 302 A HA -0.213 4.109 4.320 0.003 0.000 0.217 302 A C 2.417 180.075 177.584 0.123 0.000 1.181 302 A CA 1.783 54.038 52.037 0.364 0.000 0.623 302 A CB -0.495 18.713 19.000 0.347 0.000 0.818 302 A HN 0.512 8.662 8.150 -0.000 0.000 0.443 303 R N 0.275 120.609 120.500 -0.276 0.000 2.075 303 R HA -0.094 4.248 4.340 0.003 0.000 0.232 303 R C 2.434 178.638 176.300 -0.160 0.000 1.126 303 R CA 1.523 57.229 56.100 -0.656 0.000 0.963 303 R CB -0.480 29.496 30.300 -0.540 0.000 0.858 303 R HN 0.681 8.951 8.270 -0.000 0.000 0.435 304 S N 0.810 116.488 115.700 -0.038 0.000 2.528 304 S HA -0.079 4.393 4.470 0.003 0.000 0.244 304 S C 0.766 175.422 174.600 0.093 0.000 0.982 304 S CA 0.583 58.797 58.200 0.025 0.000 0.953 304 S CB -0.507 62.704 63.200 0.019 0.000 0.754 304 S HN 0.129 8.439 8.310 -0.000 0.000 0.529 305 L N 1.451 122.783 121.223 0.183 0.000 2.290 305 L HA 0.350 4.691 4.340 0.003 0.000 0.284 305 L C 1.443 178.475 176.870 0.270 0.000 1.078 305 L CA -0.601 54.392 54.840 0.255 0.000 0.815 305 L CB 0.787 43.083 42.059 0.395 0.000 1.162 305 L HN 0.006 8.236 8.230 -0.000 0.000 0.435 306 K N 0.703 121.224 120.400 0.201 0.000 2.281 306 K HA -0.145 4.177 4.320 0.003 0.000 0.203 306 K C 1.601 178.339 176.600 0.230 0.000 1.046 306 K CA 1.757 58.149 56.287 0.175 0.000 0.938 306 K CB -0.077 32.500 32.500 0.128 0.000 0.737 306 K HN 0.831 9.081 8.250 -0.000 0.000 0.458 307 T N -2.275 112.470 114.554 0.319 0.000 3.194 307 T HA -0.072 4.279 4.350 0.003 0.000 0.251 307 T C 0.304 175.104 174.700 0.167 0.000 1.132 307 T CA -0.283 62.051 62.100 0.390 0.000 1.028 307 T CB -0.372 68.738 68.868 0.404 0.000 0.976 307 T HN 0.062 8.302 8.240 -0.000 0.000 0.535 308 Y N 2.528 122.818 120.300 -0.017 0.000 2.402 308 Y HA 0.421 4.973 4.550 0.002 0.000 0.333 308 Y C 1.144 176.936 175.900 -0.180 0.000 1.076 308 Y CA -0.064 57.854 58.100 -0.303 0.000 1.299 308 Y CB -0.032 38.408 38.460 -0.034 0.000 1.197 308 Y HN 0.444 8.724 8.280 -0.000 0.000 0.517 309 G N 4.264 112.489 108.800 -0.958 0.000 2.351 309 G HA2 -0.119 3.843 3.960 0.003 0.000 0.297 309 G HA3 -0.119 3.843 3.960 0.003 0.000 0.297 309 G C -1.327 173.428 174.900 -0.242 0.000 1.054 309 G CA 0.245 44.976 45.100 -0.614 0.000 1.123 309 G HN 0.892 9.182 8.290 -0.000 0.000 0.512 310 V N 0.207 120.040 119.914 -0.134 0.000 2.577 310 V HA 0.444 4.566 4.120 0.003 0.000 0.294 310 V C 0.554 176.638 176.094 -0.017 0.000 1.052 310 V CA -0.646 61.613 62.300 -0.068 0.000 0.891 310 V CB 1.794 33.578 31.823 -0.066 0.000 1.017 310 V HN 0.506 8.696 8.190 -0.000 0.000 0.436 311 S N 4.754 120.419 115.700 -0.058 0.000 2.498 311 S HA 0.518 4.989 4.470 0.003 0.000 0.281 311 S C -0.491 174.022 174.600 -0.144 0.000 1.265 311 S CA 0.250 58.412 58.200 -0.064 0.000 1.071 311 S CB -0.157 63.015 63.200 -0.047 0.000 0.894 311 S HN 0.411 8.721 8.310 -0.000 0.000 0.491 312 F N 2.961 122.791 119.950 -0.200 0.000 2.492 312 F HA 0.664 5.192 4.527 0.002 0.000 0.327 312 F C -0.277 175.321 175.800 -0.337 0.000 1.079 312 F CA -0.878 57.068 58.000 -0.091 0.000 0.967 312 F CB 1.242 40.225 39.000 -0.028 0.000 1.169 312 F HN 0.384 8.684 8.300 -0.000 0.000 0.472 313 F N 2.382 122.432 119.950 0.167 0.000 2.565 313 F HA 0.460 4.988 4.527 0.002 0.000 0.313 313 F C -0.794 175.075 175.800 0.115 0.000 1.091 313 F CA -1.044 57.005 58.000 0.082 0.000 0.915 313 F CB 1.408 40.397 39.000 -0.019 0.000 1.208 313 F HN 0.064 8.364 8.300 -0.000 0.000 0.453 314 L N 4.743 126.110 121.223 0.240 0.000 2.315 314 L HA 0.570 4.912 4.340 0.003 0.000 0.283 314 L C -0.104 176.864 176.870 0.164 0.000 1.089 314 L CA -0.126 54.818 54.840 0.173 0.000 0.833 314 L CB 0.196 42.318 42.059 0.105 0.000 1.170 314 L HN 0.502 8.732 8.230 -0.000 0.000 0.442 315 V N 2.294 122.308 119.914 0.168 0.000 3.240 315 V HA 0.778 4.899 4.120 0.003 0.000 0.306 315 V C -0.544 175.618 176.094 0.112 0.000 1.227 315 V CA -0.926 61.458 62.300 0.140 0.000 1.047 315 V CB 2.028 33.953 31.823 0.171 0.000 1.203 315 V HN 0.567 8.757 8.190 -0.000 0.000 0.471 316 K N 0.956 121.409 120.400 0.088 0.000 2.865 316 K HA 0.398 4.720 4.320 0.003 0.000 0.215 316 K C -0.803 175.825 176.600 0.046 0.000 1.120 316 K CA -0.055 56.273 56.287 0.068 0.000 1.037 316 K CB 1.061 33.591 32.500 0.051 0.000 1.233 316 K HN 0.888 9.138 8.250 -0.000 0.000 0.577 317 E N 1.476 121.714 120.200 0.064 0.000 2.415 317 E HA -0.023 4.328 4.350 0.003 0.000 0.263 317 E C 0.188 176.809 176.600 0.036 0.000 0.995 317 E CA 0.354 56.775 56.400 0.035 0.000 0.915 317 E CB 0.900 30.669 29.700 0.116 0.000 0.951 317 E HN 0.130 8.490 8.360 -0.000 0.000 0.449 324 K N 1.288 121.700 120.400 0.019 0.000 2.237 324 K HA 0.424 4.746 4.320 0.003 0.000 0.270 324 K C -0.480 176.136 176.600 0.027 0.000 1.015 324 K CA -0.361 55.938 56.287 0.022 0.000 0.949 324 K CB 0.818 33.332 32.500 0.023 0.000 0.976 324 K HN 0.112 8.362 8.250 -0.000 0.000 0.472 325 L N 4.399 125.639 121.223 0.028 0.000 2.287 325 L HA 0.239 4.580 4.340 0.003 0.000 0.280 325 L C -0.610 176.286 176.870 0.042 0.000 1.055 325 L CA -0.916 53.944 54.840 0.033 0.000 0.863 325 L CB 1.291 43.367 42.059 0.029 0.000 1.245 325 L HN 0.313 8.543 8.230 -0.000 0.000 0.432 326 V N 5.482 125.428 119.914 0.052 0.000 2.470 326 V HA 0.137 4.259 4.120 0.003 0.000 0.276 326 V C -1.773 174.365 176.094 0.073 0.000 1.040 326 V CA -1.333 61.003 62.300 0.060 0.000 1.008 326 V CB 0.808 32.670 31.823 0.065 0.000 0.990 326 V HN 0.535 8.725 8.190 -0.000 0.000 0.477 327 P HA 0.228 4.648 4.420 -0.000 0.000 0.266 327 P C -0.525 176.837 177.300 0.104 0.000 1.193 327 P CA -0.011 63.136 63.100 0.078 0.000 0.770 327 P CB 0.461 32.196 31.700 0.058 0.000 0.836 328 R N 2.136 122.716 120.500 0.133 0.000 2.680 328 R HA 0.537 4.878 4.340 0.003 0.000 0.269 328 R C -1.762 174.665 176.300 0.210 0.000 1.026 328 R CA -0.632 55.572 56.100 0.175 0.000 0.889 328 R CB 0.894 31.328 30.300 0.222 0.000 1.241 328 R HN 0.322 8.592 8.270 -0.000 0.000 0.463 329 L N 3.657 125.028 121.223 0.245 0.000 2.307 329 L HA 0.555 4.896 4.340 0.003 0.000 0.282 329 L C -0.779 176.339 176.870 0.414 0.000 1.051 329 L CA -1.134 53.918 54.840 0.354 0.000 0.804 329 L CB 1.550 43.817 42.059 0.347 0.000 1.197 329 L HN 0.505 8.735 8.230 -0.000 0.000 0.431 330 L N 3.142 124.608 121.223 0.404 0.000 2.319 330 L HA 0.652 4.993 4.340 0.003 0.000 0.281 330 L C 0.104 176.970 176.870 -0.007 0.000 1.005 330 L CA 0.052 55.047 54.840 0.258 0.000 0.828 330 L CB 1.425 43.653 42.059 0.281 0.000 1.227 330 L HN 0.503 8.733 8.230 -0.000 0.000 0.415 331 G N 5.573 114.180 108.800 -0.322 0.000 2.425 331 G HA2 0.645 4.606 3.960 0.003 0.000 0.302 331 G HA3 0.645 4.606 3.960 0.003 0.000 0.302 331 G C -0.960 173.783 174.900 -0.261 0.000 1.159 331 G CA -0.362 44.264 45.100 -0.789 0.000 0.865 331 G HN 0.440 8.730 8.290 -0.000 0.000 0.515 332 I N 1.827 122.279 120.570 -0.196 0.000 2.560 332 I HA 0.272 4.443 4.170 0.003 0.000 0.283 332 I C -0.036 176.136 176.117 0.091 0.000 1.115 332 I CA -0.493 60.810 61.300 0.004 0.000 1.066 332 I CB 1.184 39.219 38.000 0.058 0.000 1.221 332 I HN 0.650 8.860 8.210 -0.000 0.000 0.450 333 T N 1.642 116.228 114.554 0.054 0.000 2.893 333 T HA 0.390 4.741 4.350 0.003 0.000 0.291 333 T C 0.803 175.380 174.700 -0.206 0.000 1.028 333 T CA -0.917 61.164 62.100 -0.031 0.000 0.995 333 T CB 2.170 70.978 68.868 -0.100 0.000 1.051 333 T HN 0.656 8.896 8.240 -0.000 0.000 0.470 334 K N 0.637 120.524 120.400 -0.856 0.000 2.678 334 K HA -0.139 4.183 4.320 0.003 0.000 0.194 334 K C 0.885 177.304 176.600 -0.300 0.000 1.031 334 K CA 1.729 57.497 56.287 -0.865 0.000 0.961 334 K CB -0.152 31.604 32.500 -1.240 0.000 0.793 334 K HN 0.843 9.093 8.250 -0.000 0.000 0.492 335 E N -0.374 119.723 120.200 -0.172 0.000 2.665 335 E HA 0.058 4.409 4.350 0.003 0.000 0.225 335 E C -0.787 175.803 176.600 -0.017 0.000 0.922 335 E CA -0.097 56.257 56.400 -0.077 0.000 1.242 335 E CB 1.168 30.822 29.700 -0.077 0.000 1.197 335 E HN 0.486 8.846 8.360 -0.000 0.000 0.581 336 C N -0.726 118.574 119.300 -0.000 0.000 3.224 336 C HA 0.601 5.063 4.460 0.003 0.000 0.348 336 C C -1.677 173.357 174.990 0.073 0.000 1.242 336 C CA -0.774 58.273 59.018 0.049 0.000 1.180 336 C CB 0.805 28.554 27.740 0.015 0.000 1.458 336 C HN -0.040 8.190 8.230 -0.000 0.000 0.485 337 V N 3.966 123.976 119.914 0.161 0.000 2.513 337 V HA 0.817 4.938 4.120 0.003 0.000 0.299 337 V C 0.174 176.343 176.094 0.125 0.000 1.035 337 V CA -0.147 62.283 62.300 0.216 0.000 0.889 337 V CB 1.560 33.658 31.823 0.457 0.000 0.988 337 V HN 1.114 9.304 8.190 -0.000 0.000 0.440 338 M N 3.287 122.892 119.600 0.010 0.000 2.484 338 M HA 0.699 5.181 4.480 0.003 0.000 0.289 338 M C -1.011 175.249 176.300 -0.068 0.000 1.206 338 M CA -0.806 54.417 55.300 -0.128 0.000 0.892 338 M CB 2.475 35.013 32.600 -0.103 0.000 1.712 338 M HN 0.313 8.603 8.290 -0.000 0.000 0.462 339 R N 1.834 122.240 120.500 -0.156 0.000 2.221 339 R HA 0.701 5.043 4.340 0.003 0.000 0.327 339 R C -1.199 175.149 176.300 0.080 0.000 1.033 339 R CA -0.585 55.509 56.100 -0.010 0.000 0.887 339 R CB 1.619 31.864 30.300 -0.091 0.000 1.057 339 R HN 0.623 8.893 8.270 -0.000 0.000 0.455 340 V N 2.211 122.246 119.914 0.202 0.000 2.769 340 V HA 0.106 4.228 4.120 0.003 0.000 0.312 340 V C -0.015 176.180 176.094 0.170 0.000 1.061 340 V CA -0.941 61.489 62.300 0.217 0.000 0.931 340 V CB 2.166 34.218 31.823 0.383 0.000 1.010 340 V HN 0.667 8.857 8.190 -0.000 0.000 0.433 341 D N 2.839 123.310 120.400 0.119 0.000 2.358 341 D HA 0.009 4.650 4.640 0.003 0.000 0.258 341 D C 1.049 177.398 176.300 0.081 0.000 1.223 341 D CA 0.105 54.162 54.000 0.094 0.000 0.886 341 D CB 1.262 42.107 40.800 0.075 0.000 1.120 341 D HN 0.721 9.091 8.370 -0.000 0.000 0.482 342 E N 3.707 123.955 120.200 0.079 0.000 2.331 342 E HA -0.206 4.145 4.350 0.003 0.000 0.199 342 E C 1.033 177.650 176.600 0.028 0.000 1.008 342 E CA 1.010 57.441 56.400 0.051 0.000 0.843 342 E CB 0.381 30.114 29.700 0.055 0.000 0.761 342 E HN 0.517 8.877 8.360 -0.000 0.000 0.507 343 K N -0.831 119.596 120.400 0.046 0.000 2.266 343 K HA -0.013 4.308 4.320 0.003 0.000 0.209 343 K C 2.148 178.805 176.600 0.094 0.000 1.065 343 K CA 1.016 57.335 56.287 0.053 0.000 0.946 343 K CB -0.013 32.515 32.500 0.047 0.000 1.069 343 K HN 0.061 8.311 8.250 -0.000 0.000 0.472 344 T N -1.154 113.450 114.554 0.083 0.000 3.023 344 T HA 0.077 4.428 4.350 0.003 0.000 0.266 344 T C 0.607 175.360 174.700 0.090 0.000 1.093 344 T CA 0.976 63.130 62.100 0.091 0.000 1.129 344 T CB 0.020 68.929 68.868 0.068 0.000 0.899 344 T HN 0.228 8.468 8.240 -0.000 0.000 0.491 345 K N -0.062 120.385 120.400 0.077 0.000 3.547 345 K HA -0.123 4.199 4.320 0.003 0.000 0.309 345 K C -0.055 176.594 176.600 0.082 0.000 1.324 345 K CA 1.193 57.519 56.287 0.066 0.000 0.988 345 K CB -1.567 30.968 32.500 0.058 0.000 1.261 345 K HN 0.581 8.831 8.250 -0.000 0.000 0.444 346 E N 0.448 120.693 120.200 0.075 0.000 2.418 346 E HA 0.070 4.422 4.350 0.003 0.000 0.261 346 E C 0.009 176.654 176.600 0.075 0.000 1.070 346 E CA -0.042 56.399 56.400 0.069 0.000 0.931 346 E CB 0.696 30.425 29.700 0.049 0.000 0.954 346 E HN -0.019 8.341 8.360 -0.000 0.000 0.439 347 V N 4.618 124.571 119.914 0.065 0.000 2.427 347 V HA 0.024 4.145 4.120 0.003 0.000 0.268 347 V C 1.523 177.613 176.094 -0.006 0.000 1.046 347 V CA 0.180 62.507 62.300 0.045 0.000 0.970 347 V CB 0.289 32.130 31.823 0.030 0.000 1.001 347 V HN 0.595 8.785 8.190 -0.000 0.000 0.476 348 I N 2.866 123.425 120.570 -0.019 0.000 2.585 348 I HA 0.085 4.256 4.170 0.003 0.000 0.254 348 I C 1.067 177.102 176.117 -0.138 0.000 1.129 348 I CA 0.877 62.148 61.300 -0.048 0.000 1.455 348 I CB 0.261 38.256 38.000 -0.008 0.000 1.111 348 I HN 0.623 8.833 8.210 -0.000 0.000 0.433 349 Q N 0.220 119.871 119.800 -0.248 0.000 2.482 349 Q HA 0.384 4.725 4.340 0.003 0.000 0.286 349 Q C -1.322 174.292 176.000 -0.644 0.000 1.007 349 Q CA -0.578 54.941 55.803 -0.473 0.000 0.801 349 Q CB 3.173 31.544 28.738 -0.611 0.000 1.455 349 Q HN 0.119 8.389 8.270 -0.000 0.000 0.398 350 E N 1.543 121.261 120.200 -0.803 0.000 2.366 350 E HA 0.442 4.794 4.350 0.003 0.000 0.278 350 E C -1.643 174.502 176.600 -0.760 0.000 0.923 350 E CA -0.529 55.473 56.400 -0.662 0.000 0.761 350 E CB 1.487 31.006 29.700 -0.302 0.000 1.231 350 E HN 0.432 8.792 8.360 -0.000 0.000 0.443 351 W N 1.161 122.375 121.300 -0.143 0.000 2.975 351 W HA 0.403 5.064 4.660 0.002 0.000 0.342 351 W C -0.270 176.199 176.519 -0.082 0.000 1.168 351 W CA -0.921 56.307 57.345 -0.194 0.000 1.141 351 W CB 1.857 31.119 29.460 -0.331 0.000 1.445 351 W HN 0.465 8.645 8.180 -0.000 0.000 0.560 352 S N 1.300 117.109 115.700 0.181 0.000 2.475 352 S HA 0.167 4.638 4.470 0.003 0.000 0.281 352 S C 0.672 175.362 174.600 0.150 0.000 1.198 352 S CA -0.489 57.782 58.200 0.120 0.000 1.063 352 S CB 0.675 63.921 63.200 0.077 0.000 0.972 352 S HN 0.443 8.753 8.310 -0.000 0.000 0.486 353 L N 5.743 127.037 121.223 0.118 0.000 2.447 353 L HA -0.047 4.294 4.340 0.003 0.000 0.225 353 L C 2.527 179.461 176.870 0.107 0.000 1.148 353 L CA 2.363 57.271 54.840 0.114 0.000 0.808 353 L CB -0.750 41.351 42.059 0.070 0.000 0.928 353 L HN 0.985 9.215 8.230 -0.000 0.000 0.448 354 T N -4.631 109.980 114.554 0.094 0.000 2.852 354 T HA -0.076 4.275 4.350 0.003 0.000 0.256 354 T C 1.718 176.481 174.700 0.106 0.000 1.038 354 T CA 0.821 62.972 62.100 0.085 0.000 1.141 354 T CB -0.470 68.435 68.868 0.062 0.000 0.869 354 T HN 0.244 8.484 8.240 -0.000 0.000 0.439 355 N N 1.567 120.339 118.700 0.120 0.000 2.588 355 N HA 0.070 4.811 4.740 0.003 0.000 0.190 355 N C 0.322 175.948 175.510 0.194 0.000 1.094 355 N CA 0.353 53.487 53.050 0.140 0.000 0.921 355 N CB -0.673 37.893 38.487 0.131 0.000 0.959 355 N HN 0.570 8.950 8.380 -0.000 0.000 0.448 356 I N 1.495 122.186 120.570 0.202 0.000 2.363 356 I HA -0.024 4.148 4.170 0.003 0.000 0.292 356 I C 1.586 177.776 176.117 0.122 0.000 1.075 356 I CA -0.076 61.331 61.300 0.177 0.000 1.333 356 I CB 0.966 39.074 38.000 0.180 0.000 1.415 356 I HN 0.045 8.255 8.210 -0.000 0.000 0.502 357 K N 8.136 128.560 120.400 0.039 0.000 2.044 357 K HA 0.020 4.342 4.320 0.003 0.000 0.204 357 K C 0.528 177.106 176.600 -0.038 0.000 1.049 357 K CA 0.921 57.205 56.287 -0.005 0.000 0.945 357 K CB 0.455 32.918 32.500 -0.061 0.000 0.724 357 K HN 0.713 8.963 8.250 -0.000 0.000 0.440 358 R N -1.758 118.682 120.500 -0.099 0.000 2.747 358 R HA 0.371 4.712 4.340 0.003 0.000 0.272 358 R C -1.935 174.286 176.300 -0.132 0.000 1.032 358 R CA -1.103 54.866 56.100 -0.218 0.000 0.896 358 R CB 0.602 30.679 30.300 -0.371 0.000 1.253 358 R HN 0.170 8.440 8.270 -0.000 0.000 0.461 359 W N -0.754 120.369 121.300 -0.295 0.000 3.363 359 W HA 0.813 5.475 4.660 0.002 0.000 0.306 359 W C -2.173 174.152 176.519 -0.323 0.000 1.253 359 W CA -0.720 56.381 57.345 -0.407 0.000 1.195 359 W CB 1.157 30.437 29.460 -0.300 0.000 1.366 359 W HN 0.898 9.078 8.180 -0.000 0.000 0.551 360 A N 1.698 124.331 122.820 -0.313 0.000 2.498 360 A HA 1.003 5.324 4.320 0.003 0.000 0.298 360 A C -1.219 176.313 177.584 -0.086 0.000 1.075 360 A CA -0.387 51.525 52.037 -0.210 0.000 0.714 360 A CB 1.319 20.186 19.000 -0.222 0.000 1.299 360 A HN 1.841 9.991 8.150 -0.000 0.000 0.407 361 A N 0.300 123.154 122.820 0.057 0.000 2.437 361 A HA 1.022 5.344 4.320 0.003 0.000 0.288 361 A C 0.024 177.648 177.584 0.066 0.000 1.201 361 A CA 0.080 52.203 52.037 0.144 0.000 0.795 361 A CB 1.256 20.417 19.000 0.268 0.000 1.359 361 A HN 2.548 10.698 8.150 -0.000 0.000 0.435 362 S N -1.499 114.246 115.700 0.076 0.000 2.636 362 S HA 0.648 5.120 4.470 0.003 0.000 0.268 362 S C -2.533 172.095 174.600 0.047 0.000 1.159 362 S CA -0.231 57.994 58.200 0.042 0.000 0.815 362 S CB 1.146 64.360 63.200 0.023 0.000 1.130 362 S HN 0.463 8.773 8.310 -0.000 0.000 0.471 363 P HA -0.002 4.418 4.420 -0.000 0.000 0.218 363 P C 0.389 177.709 177.300 0.034 0.000 1.148 363 P CA 1.295 64.414 63.100 0.030 0.000 0.822 363 P CB -0.044 31.668 31.700 0.021 0.000 0.784 364 K N -0.497 119.924 120.400 0.034 0.000 2.469 364 K HA 0.203 4.525 4.320 0.003 0.000 0.204 364 K C 0.385 177.011 176.600 0.044 0.000 1.047 364 K CA -0.113 56.196 56.287 0.035 0.000 1.072 364 K CB 0.828 33.342 32.500 0.025 0.000 0.863 364 K HN 0.191 8.441 8.250 -0.000 0.000 0.530 365 S N -0.644 115.092 115.700 0.060 0.000 2.625 365 S HA 0.628 5.100 4.470 0.003 0.000 0.271 365 S C -1.661 173.030 174.600 0.152 0.000 1.161 365 S CA -0.919 57.326 58.200 0.076 0.000 0.820 365 S CB 1.469 64.687 63.200 0.029 0.000 1.137 365 S HN 0.070 8.380 8.310 -0.000 0.000 0.470 366 F N 0.855 120.785 119.950 -0.033 0.000 2.574 366 F HA 0.688 5.216 4.527 0.002 0.000 0.313 366 F C -1.140 174.639 175.800 -0.036 0.000 1.130 366 F CA 0.004 57.987 58.000 -0.028 0.000 0.936 366 F CB 2.178 41.149 39.000 -0.047 0.000 1.219 366 F HN 0.770 9.070 8.300 -0.000 0.000 0.445 367 T N 7.094 121.182 114.554 -0.777 0.000 2.812 367 T HA 0.585 4.936 4.350 0.003 0.000 0.282 367 T C -0.984 173.245 174.700 -0.785 0.000 0.990 367 T CA -0.514 61.230 62.100 -0.593 0.000 0.960 367 T CB 1.439 70.134 68.868 -0.289 0.000 0.948 367 T HN 0.512 8.752 8.240 -0.000 0.000 0.438 368 L N 3.103 123.955 121.223 -0.618 0.000 2.343 368 L HA 0.517 4.858 4.340 0.003 0.000 0.278 368 L C -0.818 175.464 176.870 -0.981 0.000 0.996 368 L CA -0.807 53.613 54.840 -0.700 0.000 0.831 368 L CB 1.667 43.377 42.059 -0.581 0.000 1.232 368 L HN 0.613 8.843 8.230 -0.000 0.000 0.413 369 D N 1.712 121.522 120.400 -0.984 0.000 2.308 369 D HA 0.342 4.983 4.640 0.003 0.000 0.242 369 D C 0.162 175.971 176.300 -0.820 0.000 1.059 369 D CA -0.301 53.070 54.000 -1.048 0.000 0.830 369 D CB 1.212 41.276 40.800 -1.228 0.000 1.161 369 D HN 0.202 8.572 8.370 -0.000 0.000 0.494 370 F N 1.916 121.716 119.950 -0.250 0.000 2.274 370 F HA 0.347 4.875 4.527 0.002 0.000 0.288 370 F C 2.258 178.011 175.800 -0.079 0.000 1.069 370 F CA 0.651 58.553 58.000 -0.163 0.000 1.343 370 F CB 0.049 38.934 39.000 -0.191 0.000 1.089 370 F HN 0.612 8.912 8.300 -0.000 0.000 0.517 371 G N -1.294 107.588 108.800 0.137 0.000 3.259 371 G HA2 -0.168 3.793 3.960 0.003 0.000 0.217 371 G HA3 -0.168 3.793 3.960 0.003 0.000 0.217 371 G C -0.321 174.692 174.900 0.187 0.000 0.993 371 G CA -0.205 44.964 45.100 0.113 0.000 0.836 371 G HN 0.229 8.519 8.290 -0.000 0.000 0.514 372 D N 0.696 121.241 120.400 0.241 0.000 2.660 372 D HA -0.043 4.598 4.640 0.003 0.000 0.253 372 D C 1.109 177.587 176.300 0.296 0.000 1.256 372 D CA 0.016 54.167 54.000 0.251 0.000 0.914 372 D CB -0.187 40.774 40.800 0.267 0.000 1.137 372 D HN 0.447 8.817 8.370 -0.000 0.000 0.542 373 Y N 3.276 123.645 120.300 0.115 0.000 2.060 373 Y HA -0.296 4.256 4.550 0.003 0.000 0.276 373 Y C 2.330 178.289 175.900 0.098 0.000 1.127 373 Y CA 1.240 59.398 58.100 0.098 0.000 1.104 373 Y CB -0.014 38.486 38.460 0.068 0.000 0.983 373 Y HN 0.444 8.724 8.280 -0.000 0.000 0.483 374 Q N 0.762 120.555 119.800 -0.011 0.000 1.967 374 Q HA -0.240 4.102 4.340 0.003 0.000 0.210 374 Q C 0.463 176.449 176.000 -0.023 0.000 1.005 374 Q CA 1.985 57.719 55.803 -0.114 0.000 0.862 374 Q CB -0.792 27.939 28.738 -0.013 0.000 0.939 374 Q HN 0.488 8.758 8.270 -0.000 0.000 0.417 375 D N 0.847 121.300 120.400 0.088 0.000 2.885 375 D HA 0.113 4.755 4.640 0.003 0.000 0.234 375 D C 0.833 177.263 176.300 0.217 0.000 1.129 375 D CA 0.572 54.664 54.000 0.153 0.000 0.991 375 D CB -0.724 40.200 40.800 0.206 0.000 1.137 375 D HN 0.386 8.756 8.370 -0.000 0.000 0.459 376 G N 0.969 109.856 108.800 0.145 0.000 3.754 376 G HA2 -0.312 3.650 3.960 0.003 0.000 0.594 376 G HA3 -0.312 3.650 3.960 0.003 0.000 0.594 376 G C 0.367 175.522 174.900 0.426 0.000 0.877 376 G CA 0.698 45.922 45.100 0.207 0.000 0.725 376 G HN 0.284 8.574 8.290 -0.000 0.000 1.358 377 Y N -2.164 118.148 120.300 0.021 0.000 2.565 377 Y HA 0.613 5.164 4.550 0.003 0.000 0.325 377 Y C -0.317 175.620 175.900 0.062 0.000 1.221 377 Y CA -1.833 56.231 58.100 -0.061 0.000 1.316 377 Y CB 0.775 39.162 38.460 -0.121 0.000 1.404 377 Y HN 0.415 8.695 8.280 -0.000 0.000 0.527 378 Y N 0.584 120.881 120.300 -0.005 0.000 2.609 378 Y HA 0.434 4.985 4.550 0.002 0.000 0.350 378 Y C -0.622 175.279 175.900 0.001 0.000 1.050 378 Y CA -0.723 57.401 58.100 0.040 0.000 1.290 378 Y CB 0.790 39.268 38.460 0.030 0.000 1.094 378 Y HN 0.438 8.718 8.280 -0.000 0.000 0.583 379 S N 4.674 120.225 115.700 -0.249 0.000 2.489 379 S HA 0.849 5.320 4.470 0.003 0.000 0.291 379 S C -0.788 173.636 174.600 -0.293 0.000 1.151 379 S CA -0.175 57.889 58.200 -0.226 0.000 1.082 379 S CB 0.532 63.668 63.200 -0.105 0.000 1.019 379 S HN 0.845 9.155 8.310 -0.000 0.000 0.492 380 V N 2.614 122.430 119.914 -0.164 0.000 3.141 380 V HA 0.683 4.804 4.120 0.003 0.000 0.312 380 V C -0.912 175.185 176.094 0.006 0.000 1.157 380 V CA -0.936 61.307 62.300 -0.096 0.000 1.041 380 V CB 1.866 33.666 31.823 -0.038 0.000 1.071 380 V HN 0.802 8.992 8.190 -0.000 0.000 0.441 381 Q N 1.457 121.269 119.800 0.019 0.000 2.243 381 Q HA 0.655 4.996 4.340 0.003 0.000 0.252 381 Q C -0.710 175.325 176.000 0.059 0.000 0.909 381 Q CA 0.311 56.136 55.803 0.037 0.000 0.922 381 Q CB 1.422 30.177 28.738 0.030 0.000 1.215 381 Q HN 1.261 9.531 8.270 -0.000 0.000 0.427 382 T N 0.927 115.518 114.554 0.062 0.000 3.168 382 T HA 0.118 4.470 4.350 0.003 0.000 0.373 382 T C 0.435 175.168 174.700 0.055 0.000 1.681 382 T CA 0.229 62.368 62.100 0.065 0.000 1.135 382 T CB 0.507 69.413 68.868 0.064 0.000 1.477 382 T HN 0.671 8.911 8.240 -0.000 0.000 0.480 383 T N 0.442 115.028 114.554 0.054 0.000 3.067 383 T HA 0.216 4.568 4.350 0.003 0.000 0.261 383 T C 0.650 175.376 174.700 0.043 0.000 1.110 383 T CA 0.603 62.731 62.100 0.046 0.000 1.113 383 T CB -0.109 68.785 68.868 0.044 0.000 0.917 383 T HN 0.679 8.919 8.240 -0.000 0.000 0.499 384 E N 1.245 121.471 120.200 0.043 0.000 2.354 384 E HA 0.303 4.654 4.350 0.003 0.000 0.260 384 E C 1.487 178.020 176.600 -0.111 0.000 1.405 384 E CA -0.336 56.072 56.400 0.015 0.000 1.728 384 E CB 0.065 29.851 29.700 0.143 0.000 1.471 384 E HN 0.646 9.006 8.360 -0.000 0.000 0.441 385 G N 1.558 110.341 108.800 -0.027 0.000 2.414 385 G HA2 -0.298 3.663 3.960 0.003 0.000 0.215 385 G HA3 -0.298 3.663 3.960 0.003 0.000 0.215 385 G C 1.337 176.242 174.900 0.009 0.000 1.188 385 G CA 0.443 45.561 45.100 0.029 0.000 0.783 385 G HN 0.355 8.645 8.290 -0.000 0.000 0.537 386 E N 0.025 120.236 120.200 0.018 0.000 2.000 386 E HA -0.243 4.109 4.350 0.003 0.000 0.199 386 E C 2.641 179.208 176.600 -0.054 0.000 1.011 386 E CA 1.610 58.024 56.400 0.023 0.000 0.836 386 E CB -0.147 29.569 29.700 0.026 0.000 0.778 386 E HN 0.297 8.657 8.360 -0.000 0.000 0.462 387 Q N 0.731 120.492 119.800 -0.065 0.000 2.084 387 Q HA -0.241 4.100 4.340 0.003 0.000 0.215 387 Q C 2.237 178.073 176.000 -0.272 0.000 1.020 387 Q CA 2.351 58.106 55.803 -0.080 0.000 0.887 387 Q CB -0.682 28.093 28.738 0.062 0.000 0.975 387 Q HN 0.490 8.760 8.270 -0.000 0.000 0.413 388 I N -0.116 120.089 120.570 -0.608 0.000 2.248 388 I HA -0.345 3.827 4.170 0.003 0.000 0.248 388 I C 2.113 177.802 176.117 -0.714 0.000 1.107 388 I CA 1.214 61.879 61.300 -1.058 0.000 1.373 388 I CB -0.443 36.625 38.000 -1.554 0.000 1.055 388 I HN 0.262 8.472 8.210 -0.000 0.000 0.418 389 A N -0.160 122.449 122.820 -0.351 0.000 1.898 389 A HA -0.226 4.096 4.320 0.003 0.000 0.214 389 A C 2.284 179.724 177.584 -0.241 0.000 1.183 389 A CA 1.313 53.254 52.037 -0.161 0.000 0.622 389 A CB -0.625 18.588 19.000 0.355 0.000 0.824 389 A HN 0.459 8.609 8.150 -0.000 0.000 0.444 390 Q N -0.773 118.945 119.800 -0.137 0.000 2.047 390 Q HA -0.268 4.073 4.340 0.003 0.000 0.211 390 Q C 1.950 177.814 176.000 -0.226 0.000 1.005 390 Q CA 2.180 57.912 55.803 -0.117 0.000 0.866 390 Q CB -0.321 28.366 28.738 -0.086 0.000 0.938 390 Q HN 0.486 8.756 8.270 -0.000 0.000 0.414 391 L N 0.623 121.664 121.223 -0.303 0.000 1.932 391 L HA -0.213 4.129 4.340 0.003 0.000 0.217 391 L C 2.316 178.890 176.870 -0.493 0.000 1.077 391 L CA 1.874 56.450 54.840 -0.441 0.000 0.765 391 L CB -0.793 41.047 42.059 -0.364 0.000 0.888 391 L HN 0.416 8.646 8.230 -0.000 0.000 0.433 392 I N -0.667 119.629 120.570 -0.456 0.000 2.285 392 I HA -0.436 3.736 4.170 0.003 0.000 0.253 392 I C 2.419 178.222 176.117 -0.524 0.000 1.104 392 I CA 1.291 62.311 61.300 -0.467 0.000 1.372 392 I CB -0.732 36.845 38.000 -0.705 0.000 1.057 392 I HN 0.468 8.678 8.210 -0.000 0.000 0.431 393 A N 1.082 123.594 122.820 -0.513 0.000 1.824 393 A HA -0.124 4.197 4.320 0.003 0.000 0.215 393 A C 2.511 180.033 177.584 -0.103 0.000 1.209 393 A CA 1.875 53.773 52.037 -0.232 0.000 0.614 393 A CB -1.612 17.383 19.000 -0.008 0.000 0.852 393 A HN 0.416 8.566 8.150 -0.000 0.000 0.447 394 G N -1.734 106.991 108.800 -0.125 0.000 2.547 394 G HA2 -0.314 3.647 3.960 0.003 0.000 0.221 394 G HA3 -0.314 3.647 3.960 0.003 0.000 0.221 394 G C 1.533 176.462 174.900 0.048 0.000 1.140 394 G CA 1.339 46.396 45.100 -0.071 0.000 0.760 394 G HN 0.669 8.959 8.290 -0.000 0.000 0.583 395 Y N -0.659 119.596 120.300 -0.075 0.000 2.373 395 Y HA -0.032 4.520 4.550 0.002 0.000 0.293 395 Y C 2.709 178.583 175.900 -0.044 0.000 1.129 395 Y CA -0.291 57.773 58.100 -0.060 0.000 1.226 395 Y CB 0.079 38.494 38.460 -0.076 0.000 1.000 395 Y HN 0.138 8.418 8.280 -0.000 0.000 0.549 396 I N 0.604 121.233 120.570 0.098 0.000 2.193 396 I HA -0.251 3.921 4.170 0.003 0.000 0.240 396 I C 1.518 177.688 176.117 0.088 0.000 1.084 396 I CA 1.349 62.696 61.300 0.079 0.000 1.365 396 I CB -0.784 37.259 38.000 0.072 0.000 1.064 396 I HN 0.127 8.337 8.210 -0.000 0.000 0.410 397 D N 0.693 121.145 120.400 0.087 0.000 2.380 397 D HA -0.273 4.369 4.640 0.003 0.000 0.198 397 D C 2.257 178.596 176.300 0.065 0.000 1.027 397 D CA 2.271 56.316 54.000 0.075 0.000 0.880 397 D CB -0.453 40.386 40.800 0.066 0.000 1.064 397 D HN 0.244 8.614 8.370 -0.000 0.000 0.465 398 I N 0.450 121.061 120.570 0.069 0.000 2.141 398 I HA -0.279 3.893 4.170 0.003 0.000 0.243 398 I C 1.385 177.525 176.117 0.039 0.000 1.035 398 I CA 1.000 62.333 61.300 0.055 0.000 1.302 398 I CB -0.931 37.111 38.000 0.070 0.000 1.006 398 I HN 0.192 8.402 8.210 -0.000 0.000 0.413 399 I N 0.659 121.254 120.570 0.040 0.000 2.213 399 I HA 0.338 4.510 4.170 0.003 0.000 0.295 399 I C 0.234 176.373 176.117 0.036 0.000 1.172 399 I CA -0.088 61.228 61.300 0.027 0.000 1.443 399 I CB -0.321 37.688 38.000 0.015 0.000 1.491 399 I HN 0.098 8.308 8.210 -0.000 0.000 0.652 400 L N 0.000 121.242 121.223 0.032 0.000 2.949 400 L HA 0.000 4.342 4.340 0.003 0.000 0.249 400 L CA 0.000 54.860 54.840 0.033 0.000 0.813 400 L CB 0.000 42.077 42.059 0.030 0.000 0.961 400 L HN 0.000 8.230 8.230 -0.000 0.000 0.502