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 1v06_1_A DATA FIRST_RESID 208 DATA SEQUENCE PSTIWHCFLK GTRLCFHKES NKEWQDVEDF ARAASCDNEE EIQMGTHKGY DATA SEQUENCE GSDGLKLLSH EESVSFGESV LKLTFDPGTV EDGLLTVECK LDHPFYVKNK DATA SEQUENCE GWSSFYPSLT VVQHGIPCCE IHIGDVCLPP GHPDAINF 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 208 P HA 0.000 4.385 4.420 -0.058 0.000 0.216 208 P C 0.000 177.366 177.300 0.110 0.000 1.155 208 P CA 0.000 63.076 63.100 -0.040 0.000 0.800 208 P CB 0.000 31.580 31.700 -0.200 0.000 0.726 209 S N 2.306 118.058 115.700 0.088 0.000 2.592 209 S HA 0.169 4.722 4.470 0.138 0.000 0.305 209 S C -0.030 174.662 174.600 0.153 0.000 1.118 209 S CA -0.958 57.314 58.200 0.120 0.000 1.075 209 S CB 0.077 63.330 63.200 0.088 0.000 1.107 209 S HN 0.104 8.443 8.310 0.050 0.000 0.503 210 T N 3.910 118.587 114.554 0.206 0.000 2.889 210 T HA 0.222 4.803 4.350 0.247 -0.083 0.291 210 T C -0.434 174.415 174.700 0.247 0.000 0.995 210 T CA -1.013 61.235 62.100 0.247 0.000 1.092 210 T CB 1.135 70.177 68.868 0.291 0.000 0.954 210 T HN -0.125 8.251 8.240 0.226 0.000 0.506 211 I N -0.757 120.003 120.570 0.317 0.000 2.585 211 I HA 0.024 4.348 4.170 0.256 0.000 0.254 211 I C -1.333 175.063 176.117 0.465 0.000 1.129 211 I CA 0.248 61.748 61.300 0.333 0.000 1.455 211 I CB 0.121 38.319 38.000 0.330 0.000 1.111 211 I HN 0.162 8.587 8.210 0.359 0.000 0.433 212 W N -1.786 119.729 121.300 0.357 0.000 3.439 212 W HA 0.120 4.981 4.660 0.335 0.000 0.323 212 W C -1.567 175.274 176.519 0.537 0.000 1.174 212 W CA -0.007 57.595 57.345 0.428 0.000 1.224 212 W CB 2.138 31.918 29.460 0.534 0.000 1.348 212 W HN -0.864 7.689 8.180 0.622 0.000 0.498 213 H N 4.815 123.523 119.070 -0.603 0.000 1.452 213 H HA -0.444 3.711 4.556 -0.669 0.000 0.090 213 H C -1.494 173.682 175.328 -0.254 0.000 1.168 213 H CA 2.640 58.263 56.048 -0.709 0.000 1.901 213 H CB 0.080 29.069 29.762 -1.288 0.000 2.257 213 H HN 0.244 8.256 8.280 -0.447 0.000 0.961 214 C N 1.831 120.959 119.300 -0.287 0.000 2.294 214 C HA 0.197 4.846 4.460 0.315 0.000 0.348 214 C C -1.095 173.890 174.990 -0.009 0.000 1.355 214 C CA -2.039 56.976 59.018 -0.004 0.000 1.774 214 C CB -2.131 25.604 27.740 -0.009 0.000 2.259 214 C HN 0.274 8.340 8.230 -0.275 0.000 0.570 215 F N -0.275 119.930 119.950 0.426 0.000 2.469 215 F HA 0.102 5.060 4.527 0.719 0.000 0.332 215 F C -1.695 174.335 175.800 0.383 0.000 1.103 215 F CA -0.830 57.485 58.000 0.524 0.000 0.979 215 F CB 2.181 41.506 39.000 0.542 0.000 1.137 215 F HN -0.177 8.245 8.300 0.364 0.096 0.463 216 L N -0.300 121.222 121.223 0.498 0.000 2.448 216 L HA 0.263 4.746 4.340 0.239 0.000 0.258 216 L C 0.509 177.564 176.870 0.308 0.000 1.104 216 L CA -1.941 53.053 54.840 0.256 0.000 0.800 216 L CB 1.314 43.385 42.059 0.019 0.000 1.241 216 L HN -0.181 8.464 8.230 0.690 0.000 0.472 217 K N 1.101 121.633 120.400 0.220 0.000 2.326 217 K HA -0.247 4.203 4.320 0.218 0.000 0.275 217 K C 0.815 177.524 176.600 0.181 0.000 1.018 217 K CA 1.593 57.996 56.287 0.195 0.000 0.962 217 K CB 0.135 32.723 32.500 0.146 0.000 0.953 217 K HN 0.618 8.977 8.250 0.182 0.000 0.475 218 G N 4.561 113.461 108.800 0.167 0.000 2.163 218 G HA2 -0.307 3.746 3.960 0.154 0.000 0.213 218 G HA3 -0.307 3.730 3.960 0.128 0.000 0.213 218 G C -0.607 174.395 174.900 0.170 0.000 0.991 218 G CA -0.259 44.934 45.100 0.155 0.000 0.653 218 G HN 0.682 9.067 8.290 0.159 0.000 0.518 219 T N 3.261 117.933 114.554 0.196 0.000 2.907 219 T HA 0.385 4.924 4.350 0.124 -0.114 0.284 219 T C -1.261 173.471 174.700 0.053 0.000 1.004 219 T CA 0.549 62.740 62.100 0.151 0.000 1.063 219 T CB 1.613 70.636 68.868 0.259 0.000 0.992 219 T HN -0.784 7.526 8.240 0.220 0.062 0.483 220 R N 3.045 123.511 120.500 -0.056 0.000 2.514 220 R HA 0.694 5.218 4.340 0.065 -0.145 0.301 220 R C -1.185 175.160 176.300 0.076 0.000 0.962 220 R CA -1.238 54.854 56.100 -0.012 0.000 0.882 220 R CB 1.843 32.033 30.300 -0.184 0.000 1.143 220 R HN 0.396 8.593 8.270 -0.121 0.000 0.452 221 L N 1.413 122.705 121.223 0.116 0.000 2.334 221 L HA 0.481 4.678 4.340 -0.239 0.000 0.276 221 L C -1.389 175.377 176.870 -0.173 0.000 1.014 221 L CA -1.041 53.692 54.840 -0.178 0.000 0.815 221 L CB 4.136 45.908 42.059 -0.477 0.000 1.268 221 L HN 0.854 9.054 8.230 0.144 0.116 0.428 222 C N 2.485 121.495 119.300 -0.484 0.000 3.171 222 C HA 0.315 4.533 4.460 -0.404 0.000 0.336 222 C C -2.092 172.612 174.990 -0.476 0.000 1.035 222 C CA -1.007 57.702 59.018 -0.515 0.000 1.361 222 C CB 0.568 27.809 27.740 -0.831 0.000 1.804 222 C HN 0.277 8.170 8.230 -0.562 0.000 0.535 223 F N 7.007 126.759 119.950 -0.331 0.000 2.424 223 F HA 0.304 4.737 4.527 -0.378 -0.132 0.356 223 F C 0.829 176.544 175.800 -0.142 0.000 1.110 223 F CA -0.718 57.059 58.000 -0.372 0.000 1.161 223 F CB -0.221 38.392 39.000 -0.645 0.000 1.115 223 F HN 0.900 8.984 8.300 -0.360 0.000 0.507 224 H N 4.734 123.740 119.070 -0.107 0.000 2.556 224 H HA -0.077 4.411 4.556 -0.114 0.000 0.268 224 H C 0.670 175.961 175.328 -0.062 0.000 0.996 224 H CA 0.731 56.724 56.048 -0.091 0.000 1.157 224 H CB -0.194 29.524 29.762 -0.073 0.000 1.355 224 H HN 0.883 9.030 8.280 -0.032 0.114 0.597 225 K N -1.178 119.243 120.400 0.035 0.000 2.209 225 K HA -0.243 4.186 4.320 0.019 -0.098 0.204 225 K C 0.143 176.730 176.600 -0.023 0.000 1.048 225 K CA 1.960 58.235 56.287 -0.021 0.000 0.940 225 K CB 0.357 32.772 32.500 -0.141 0.000 0.729 225 K HN 0.026 8.201 8.250 0.003 0.077 0.451 226 E N -3.092 117.096 120.200 -0.020 0.000 2.518 226 E HA 0.135 4.475 4.350 -0.017 0.000 0.248 226 E C -0.833 175.755 176.600 -0.021 0.000 1.028 226 E CA -1.097 55.293 56.400 -0.018 0.000 0.922 226 E CB 1.426 31.121 29.700 -0.010 0.000 1.299 226 E HN -0.581 7.626 8.360 0.001 0.155 0.457 227 S N -2.739 112.947 115.700 -0.023 0.000 2.593 227 S HA -0.098 4.341 4.470 -0.052 0.000 0.217 227 S C 0.299 174.863 174.600 -0.060 0.000 0.966 227 S CA 0.976 59.152 58.200 -0.041 0.000 0.914 227 S CB -0.135 63.047 63.200 -0.029 0.000 0.776 227 S HN 0.230 8.533 8.310 -0.012 0.000 0.523 228 N N 3.757 122.427 118.700 -0.051 0.000 3.103 228 N HA -0.013 4.685 4.740 -0.070 0.000 0.305 228 N C -0.249 175.162 175.510 -0.165 0.000 1.232 228 N CA -0.276 52.729 53.050 -0.076 0.000 1.190 228 N CB -1.807 36.664 38.487 -0.026 0.000 1.461 228 N HN 0.304 8.571 8.380 -0.028 0.096 0.538 229 K N -1.565 118.714 120.400 -0.201 0.000 2.432 229 K HA -0.052 4.030 4.320 -0.397 0.000 0.196 229 K C -0.145 176.214 176.600 -0.401 0.000 1.038 229 K CA 1.539 57.633 56.287 -0.321 0.000 0.986 229 K CB 0.056 32.392 32.500 -0.273 0.000 0.782 229 K HN 0.012 8.101 8.250 -0.153 0.068 0.485 230 E N -0.336 119.674 120.200 -0.317 0.000 2.281 230 E HA 0.103 4.177 4.350 -0.459 0.000 0.257 230 E C -1.849 174.558 176.600 -0.321 0.000 0.971 230 E CA -2.239 53.965 56.400 -0.327 0.000 0.839 230 E CB 1.858 31.479 29.700 -0.132 0.000 1.238 230 E HN -0.609 7.540 8.360 -0.224 0.076 0.412 231 W N 0.958 122.241 121.300 -0.029 0.000 2.345 231 W HA -0.048 4.702 4.660 -0.057 -0.124 0.308 231 W C 0.362 176.866 176.519 -0.025 0.000 1.273 231 W CA -0.140 57.187 57.345 -0.030 0.000 1.243 231 W CB 0.509 29.969 29.460 0.001 0.000 1.260 231 W HN 0.181 8.379 8.180 0.031 0.000 0.509 232 Q N 4.409 124.351 119.800 0.236 0.000 2.306 232 Q HA 0.497 4.916 4.340 0.132 0.000 0.269 232 Q C -1.308 174.782 176.000 0.150 0.000 1.053 232 Q CA -1.772 54.119 55.803 0.148 0.000 0.879 232 Q CB 3.340 32.137 28.738 0.098 0.000 1.344 232 Q HN 0.569 8.981 8.270 0.236 0.000 0.464 233 D N -1.068 119.404 120.400 0.119 0.000 2.348 233 D HA 0.265 5.100 4.640 0.109 -0.129 0.249 233 D C 1.466 177.850 176.300 0.140 0.000 1.110 233 D CA 0.470 54.539 54.000 0.115 0.000 0.967 233 D CB 1.958 42.818 40.800 0.099 0.000 1.139 233 D HN 0.133 8.568 8.370 0.108 0.000 0.466 234 V N 1.206 121.218 119.914 0.163 0.000 2.295 234 V HA -0.504 3.753 4.120 0.228 0.000 0.246 234 V C 1.474 177.720 176.094 0.253 0.000 1.049 234 V CA 4.937 67.383 62.300 0.242 0.000 1.024 234 V CB -0.287 31.733 31.823 0.328 0.000 0.648 234 V HN -0.258 8.024 8.190 0.154 0.000 0.447 235 E N -2.845 117.473 120.200 0.196 0.000 2.267 235 E HA -0.413 4.040 4.350 0.172 0.000 0.197 235 E C 2.032 178.708 176.600 0.126 0.000 0.998 235 E CA 3.173 59.667 56.400 0.156 0.000 0.830 235 E CB -0.872 28.900 29.700 0.120 0.000 0.751 235 E HN 0.282 8.750 8.360 0.180 0.000 0.491 236 D N -0.103 120.379 120.400 0.136 0.000 2.110 236 D HA -0.191 4.498 4.640 0.081 0.000 0.202 236 D C 1.565 177.944 176.300 0.130 0.000 0.975 236 D CA 3.032 57.101 54.000 0.115 0.000 0.839 236 D CB 0.171 41.040 40.800 0.116 0.000 0.996 236 D HN -0.707 7.553 8.370 0.152 0.201 0.464 237 F N 1.240 121.204 119.950 0.024 0.000 2.146 237 F HA -0.330 4.186 4.527 -0.019 0.000 0.298 237 F C 0.865 176.660 175.800 -0.008 0.000 1.096 237 F CA 2.680 60.670 58.000 -0.016 0.000 1.275 237 F CB -0.032 38.939 39.000 -0.048 0.000 1.008 237 F HN -0.614 7.864 8.300 0.296 0.000 0.480 238 A N -0.673 122.166 122.820 0.032 0.000 1.940 238 A HA -0.454 3.842 4.320 -0.039 0.000 0.219 238 A C 1.094 178.640 177.584 -0.063 0.000 1.176 238 A CA 3.439 55.485 52.037 0.016 0.000 0.631 238 A CB -0.856 18.267 19.000 0.205 0.000 0.814 238 A HN 0.666 8.842 8.150 0.221 0.106 0.446 239 R N -1.920 118.563 120.500 -0.029 0.000 2.073 239 R HA -0.287 4.042 4.340 -0.017 0.000 0.229 239 R C 1.971 178.219 176.300 -0.087 0.000 1.120 239 R CA 2.845 58.926 56.100 -0.032 0.000 0.967 239 R CB 0.040 30.344 30.300 0.006 0.000 0.862 239 R HN -0.478 7.711 8.270 0.019 0.093 0.436 240 A N -1.595 121.147 122.820 -0.129 0.000 1.902 240 A HA -0.233 4.033 4.320 -0.091 0.000 0.217 240 A C 1.369 178.808 177.584 -0.242 0.000 1.181 240 A CA 2.639 54.583 52.037 -0.155 0.000 0.623 240 A CB -0.385 18.540 19.000 -0.124 0.000 0.818 240 A HN -0.020 8.001 8.150 -0.106 0.066 0.443 241 A N -4.508 118.051 122.820 -0.435 0.000 2.476 241 A HA 0.183 4.319 4.320 -0.306 0.000 0.263 241 A C -0.015 177.440 177.584 -0.215 0.000 1.342 241 A CA -0.968 50.817 52.037 -0.420 0.000 0.926 241 A CB -0.988 17.531 19.000 -0.802 0.000 1.019 241 A HN 0.044 7.752 8.150 -0.551 0.111 0.515 242 S N -1.111 114.503 115.700 -0.144 0.000 2.383 242 S HA -0.269 4.232 4.470 -0.048 -0.060 0.229 242 S C 0.336 174.897 174.600 -0.064 0.000 1.030 242 S CA 2.340 60.497 58.200 -0.072 0.000 1.002 242 S CB 0.089 63.259 63.200 -0.049 0.000 0.829 242 S HN -0.474 7.538 8.310 -0.153 0.207 0.467 243 C N 3.147 122.398 119.300 -0.082 0.000 2.369 243 C HA -0.003 4.415 4.460 -0.069 0.000 0.358 243 C C -0.881 174.039 174.990 -0.116 0.000 1.274 243 C CA 0.500 59.468 59.018 -0.083 0.000 1.935 243 C CB 1.817 29.514 27.740 -0.072 0.000 2.431 243 C HN -0.116 8.049 8.230 -0.094 0.009 0.545 244 D N 5.734 126.047 120.400 -0.145 0.000 2.328 244 D HA -0.076 4.453 4.640 -0.184 0.000 0.226 244 D C -1.645 174.358 176.300 -0.495 0.000 1.066 244 D CA -0.123 53.724 54.000 -0.254 0.000 0.861 244 D CB 0.502 41.178 40.800 -0.207 0.000 0.912 244 D HN 0.266 8.563 8.370 -0.122 0.000 0.521 245 N N -2.455 116.080 118.700 -0.274 0.000 3.270 245 N HA 0.069 4.922 4.740 -0.169 -0.215 0.227 245 N C -1.695 173.762 175.510 -0.088 0.000 1.071 245 N CA 0.611 53.538 53.050 -0.205 0.000 1.073 245 N CB 1.681 40.036 38.487 -0.220 0.000 1.633 245 N HN -0.855 7.322 8.380 -0.179 0.095 0.664 246 E N 5.502 125.677 120.200 -0.042 0.000 2.830 246 E HA 0.327 4.659 4.350 -0.031 0.000 0.225 246 E C 0.149 176.747 176.600 -0.004 0.000 1.109 246 E CA -0.593 55.793 56.400 -0.024 0.000 1.392 246 E CB -0.155 29.532 29.700 -0.021 0.000 1.349 246 E HN 0.555 8.900 8.360 -0.024 0.000 0.433 247 E N -0.642 119.559 120.200 0.002 0.000 2.267 247 E HA -0.391 3.975 4.350 0.028 0.000 0.197 247 E C 0.368 176.974 176.600 0.010 0.000 0.998 247 E CA 2.629 59.039 56.400 0.017 0.000 0.830 247 E CB -0.412 29.301 29.700 0.023 0.000 0.751 247 E HN -0.447 7.914 8.360 -0.010 -0.006 0.491 248 E N -1.453 118.748 120.200 0.002 0.000 2.299 248 E HA -0.144 4.208 4.350 0.003 0.000 0.193 248 E C -0.281 176.319 176.600 0.001 0.000 0.998 248 E CA 1.208 57.608 56.400 0.001 0.000 0.851 248 E CB 0.184 29.883 29.700 -0.003 0.000 0.795 248 E HN 0.055 8.370 8.360 -0.003 0.043 0.492 249 I N -3.482 117.088 120.570 -0.001 0.000 3.623 249 I HA 0.121 4.290 4.170 -0.000 0.000 0.253 249 I C -0.466 175.652 176.117 0.002 0.000 1.144 249 I CA 0.727 62.026 61.300 -0.001 0.000 1.461 249 I CB 2.529 40.526 38.000 -0.006 0.000 1.575 249 I HN -0.382 7.651 8.210 -0.001 0.176 0.445 250 Q N 0.542 120.343 119.800 0.002 0.000 2.786 250 Q HA 0.190 4.535 4.340 0.009 0.000 0.240 250 Q C -1.766 174.243 176.000 0.014 0.000 0.928 250 Q CA -1.233 54.574 55.803 0.006 0.000 0.721 250 Q CB 1.759 30.498 28.738 0.001 0.000 1.318 250 Q HN -0.187 7.998 8.270 -0.001 0.085 0.474 251 M N 5.560 125.175 119.600 0.024 0.000 2.248 251 M HA -0.221 4.288 4.480 0.047 0.000 0.337 251 M C 0.802 177.133 176.300 0.051 0.000 1.121 251 M CA 2.087 57.412 55.300 0.043 0.000 1.155 251 M CB 0.493 33.120 32.600 0.045 0.000 1.514 251 M HN 0.399 8.702 8.290 0.021 0.000 0.452 252 G N 3.408 112.257 108.800 0.081 0.000 2.697 252 G HA2 -0.212 3.780 3.960 0.054 0.000 0.200 252 G HA3 -0.212 3.800 3.960 0.087 0.000 0.200 252 G C -0.179 174.782 174.900 0.103 0.000 1.106 252 G CA -0.333 44.816 45.100 0.081 0.000 0.748 252 G HN 0.572 8.930 8.290 0.114 0.000 0.503 253 T N 6.872 121.463 114.554 0.063 0.000 2.758 253 T HA -0.186 4.172 4.350 0.014 0.000 0.281 253 T C -1.790 172.958 174.700 0.081 0.000 0.963 253 T CA 2.449 64.566 62.100 0.028 0.000 1.201 253 T CB -0.321 68.527 68.868 -0.033 0.000 0.906 253 T HN -0.462 7.803 8.240 0.041 0.000 0.528 254 H N 5.034 124.114 119.070 0.017 0.000 3.081 254 H HA -0.062 4.582 4.556 0.046 -0.060 0.322 254 H C -0.272 175.154 175.328 0.162 0.000 1.266 254 H CA 0.204 56.294 56.048 0.069 0.000 1.279 254 H CB 3.638 33.449 29.762 0.082 0.000 1.954 254 H HN 0.054 8.411 8.280 0.128 0.000 0.530 255 K N 6.151 126.831 120.400 0.467 0.000 3.025 255 K HA 0.083 4.829 4.320 0.710 0.000 0.260 255 K C -0.376 176.505 176.600 0.468 0.000 1.023 255 K CA -0.730 55.878 56.287 0.535 0.000 1.194 255 K CB -2.062 30.675 32.500 0.395 0.000 1.094 255 K HN 0.533 9.461 8.250 0.368 -0.458 0.460 256 G N -2.642 106.375 108.800 0.362 0.000 2.459 256 G HA2 -0.084 3.794 3.960 -0.137 0.000 0.213 256 G HA3 -0.084 3.896 3.960 0.033 0.000 0.213 256 G C -0.726 174.282 174.900 0.181 0.000 1.155 256 G CA 0.216 45.370 45.100 0.091 0.000 0.811 256 G HN -0.499 7.911 8.290 0.409 0.125 0.534 257 Y N 3.684 124.088 120.300 0.173 0.000 2.677 257 Y HA -0.370 4.244 4.550 0.106 0.000 0.335 257 Y C -0.148 175.922 175.900 0.283 0.000 1.162 257 Y CA 1.710 59.914 58.100 0.173 0.000 1.483 257 Y CB -0.514 37.990 38.460 0.075 0.000 1.209 257 Y HN -0.485 8.042 8.280 0.412 0.000 0.528 258 G N 7.423 116.093 108.800 -0.216 0.000 2.131 258 G HA2 -0.381 3.520 3.960 -0.098 0.000 0.223 258 G HA3 -0.381 3.571 3.960 -0.269 -0.154 0.223 258 G C -0.056 174.874 174.900 0.050 0.000 0.990 258 G CA 0.101 45.119 45.100 -0.136 0.000 0.671 258 G HN 0.146 8.206 8.290 -0.382 0.000 0.521 259 S N -0.910 114.811 115.700 0.036 0.000 2.423 259 S HA -0.332 4.178 4.470 0.067 0.000 0.231 259 S C -0.239 174.388 174.600 0.046 0.000 1.014 259 S CA 2.958 61.190 58.200 0.054 0.000 0.965 259 S CB 0.291 63.519 63.200 0.047 0.000 0.785 259 S HN -0.370 7.909 8.310 0.002 0.032 0.495 260 D N -3.150 117.243 120.400 -0.012 0.000 2.338 260 D HA 0.095 4.860 4.640 0.208 0.000 0.208 260 D C -0.537 175.572 176.300 -0.319 0.000 0.997 260 D CA -0.038 53.949 54.000 -0.022 0.000 0.880 260 D CB 1.201 42.029 40.800 0.047 0.000 0.980 260 D HN -0.117 8.193 8.370 -0.040 0.036 0.509 261 G N -3.141 105.558 108.800 -0.168 0.000 2.347 261 G HA2 -0.046 3.812 3.960 -0.171 0.000 0.303 261 G HA3 -0.046 4.014 3.960 -0.099 -0.159 0.303 261 G C -2.585 172.285 174.900 -0.050 0.000 1.481 261 G CA -0.464 44.562 45.100 -0.124 0.000 0.914 261 G HN -0.793 7.349 8.290 -0.096 0.090 0.638 262 L N -0.066 121.152 121.223 -0.008 0.000 2.318 262 L HA 0.542 5.080 4.340 0.010 -0.193 0.277 262 L C -1.119 175.872 176.870 0.201 0.000 1.008 262 L CA -1.165 53.682 54.840 0.011 0.000 0.846 262 L CB 2.763 44.647 42.059 -0.291 0.000 1.220 262 L HN 0.459 8.595 8.230 0.034 0.115 0.423 263 K N 5.990 126.505 120.400 0.190 0.000 2.262 263 K HA 0.153 4.692 4.320 0.147 -0.131 0.282 263 K C -1.024 175.691 176.600 0.192 0.000 1.066 263 K CA -1.592 54.793 56.287 0.162 0.000 0.901 263 K CB 1.337 33.882 32.500 0.076 0.000 1.089 263 K HN 0.994 9.208 8.250 0.135 0.116 0.476 264 L N 7.927 129.232 121.223 0.137 0.000 2.597 264 L HA -0.274 3.898 4.340 -0.279 0.000 0.271 264 L C -0.974 175.865 176.870 -0.052 0.000 1.157 264 L CA 1.071 55.866 54.840 -0.074 0.000 0.928 264 L CB -0.087 41.903 42.059 -0.116 0.000 1.216 264 L HN 0.227 8.437 8.230 0.144 0.106 0.481 265 L N 7.741 128.918 121.223 -0.076 0.000 2.130 265 L HA -0.030 4.307 4.340 -0.006 0.000 0.200 265 L C 0.206 177.058 176.870 -0.029 0.000 1.075 265 L CA 2.105 56.927 54.840 -0.030 0.000 0.768 265 L CB 0.543 42.592 42.059 -0.017 0.000 0.933 265 L HN 1.088 9.129 8.230 -0.139 0.105 0.451 266 S N -5.450 110.217 115.700 -0.054 0.000 2.579 266 S HA 0.212 4.695 4.470 0.021 0.000 0.272 266 S C -2.471 172.139 174.600 0.016 0.000 1.141 266 S CA -0.730 57.466 58.200 -0.007 0.000 0.843 266 S CB 1.915 65.111 63.200 -0.006 0.000 1.122 266 S HN -0.721 7.523 8.310 -0.110 0.000 0.468 267 H N 3.940 122.971 119.070 -0.065 0.000 2.771 267 H HA 0.900 5.564 4.556 -0.135 -0.189 0.361 267 H C -1.236 174.054 175.328 -0.064 0.000 1.108 267 H CA -0.972 55.026 56.048 -0.083 0.000 1.201 267 H CB 3.018 32.764 29.762 -0.026 0.000 1.681 267 H HN 0.156 8.485 8.280 0.083 0.000 0.534 268 E N 5.740 125.780 120.200 -0.265 0.000 2.248 268 E HA 0.393 4.507 4.350 -0.395 0.000 0.267 268 E C -2.014 174.338 176.600 -0.414 0.000 0.877 268 E CA -1.559 54.634 56.400 -0.345 0.000 0.759 268 E CB 3.555 33.190 29.700 -0.109 0.000 1.182 268 E HN 0.848 9.144 8.360 0.077 0.111 0.418 269 E N 4.965 124.941 120.200 -0.372 0.000 2.073 269 E HA 0.475 4.912 4.350 -0.118 -0.158 0.269 269 E C -1.092 175.443 176.600 -0.107 0.000 0.917 269 E CA -0.468 55.817 56.400 -0.190 0.000 0.757 269 E CB 1.143 30.754 29.700 -0.149 0.000 1.111 269 E HN 0.383 8.536 8.360 -0.346 0.000 0.410 270 S N 4.982 120.631 115.700 -0.085 0.000 2.745 270 S HA 0.415 4.845 4.470 -0.067 0.000 0.306 270 S C -2.335 172.206 174.600 -0.099 0.000 1.137 270 S CA -1.369 56.785 58.200 -0.075 0.000 0.900 270 S CB 1.476 64.644 63.200 -0.054 0.000 1.176 270 S HN -0.049 8.213 8.310 -0.080 0.000 0.520 271 V N 1.416 121.269 119.914 -0.102 0.000 2.409 271 V HA 0.363 4.506 4.120 -0.183 -0.133 0.291 271 V C -1.663 174.324 176.094 -0.177 0.000 1.020 271 V CA -1.220 60.992 62.300 -0.147 0.000 0.848 271 V CB 2.258 34.014 31.823 -0.112 0.000 0.990 271 V HN 0.125 8.270 8.190 -0.075 0.000 0.430 272 S N 9.006 124.512 115.700 -0.323 0.000 2.474 272 S HA 0.391 4.772 4.470 -0.148 0.000 0.321 272 S C -0.015 174.182 174.600 -0.673 0.000 1.080 272 S CA -1.806 56.176 58.200 -0.363 0.000 1.106 272 S CB 0.250 63.208 63.200 -0.403 0.000 0.984 272 S HN 0.932 8.897 8.310 -0.398 0.107 0.464 273 F N 5.916 125.844 119.950 -0.036 0.000 3.100 273 F HA -0.435 4.083 4.527 -0.014 0.000 0.283 273 F C -0.803 174.982 175.800 -0.024 0.000 0.900 273 F CA 0.073 58.059 58.000 -0.024 0.000 1.010 273 F CB -2.431 36.554 39.000 -0.025 0.000 1.029 273 F HN 0.707 9.029 8.300 0.037 0.000 0.637 274 G N -4.860 103.861 108.800 -0.132 0.000 2.213 274 G HA2 -0.380 3.574 3.960 -0.010 0.000 0.236 274 G HA3 -0.380 3.536 3.960 -0.074 0.000 0.236 274 G C -1.305 173.462 174.900 -0.221 0.000 0.991 274 G CA -0.355 44.681 45.100 -0.106 0.000 0.629 274 G HN -0.082 8.085 8.290 -0.155 0.030 0.517 275 E N 2.406 122.308 120.200 -0.495 0.000 2.151 275 E HA 0.356 4.548 4.350 -0.262 0.000 0.275 275 E C -0.730 175.647 176.600 -0.370 0.000 0.936 275 E CA -1.936 54.193 56.400 -0.451 0.000 0.777 275 E CB 1.437 30.744 29.700 -0.655 0.000 1.108 275 E HN 0.188 7.867 8.360 -0.796 0.203 0.401 276 S N 5.196 120.763 115.700 -0.223 0.000 2.533 276 S HA 0.120 4.628 4.470 -0.164 -0.137 0.282 276 S C -0.423 174.081 174.600 -0.159 0.000 1.304 276 S CA 1.489 59.589 58.200 -0.167 0.000 1.063 276 S CB 0.190 63.318 63.200 -0.119 0.000 0.881 276 S HN 0.683 8.883 8.310 -0.183 0.000 0.493 277 V N -1.077 118.754 119.914 -0.138 0.000 2.962 277 V HA 0.871 5.059 4.120 -0.082 -0.117 0.313 277 V C -1.801 174.267 176.094 -0.043 0.000 1.099 277 V CA -2.454 59.781 62.300 -0.110 0.000 0.971 277 V CB 3.692 35.404 31.823 -0.185 0.000 1.028 277 V HN 0.846 8.958 8.190 -0.131 0.000 0.430 278 L N 2.121 123.339 121.223 -0.008 0.000 2.261 278 L HA 0.211 4.617 4.340 0.110 0.000 0.289 278 L C -1.103 175.771 176.870 0.006 0.000 1.059 278 L CA -0.597 54.245 54.840 0.003 0.000 0.816 278 L CB 0.117 42.110 42.059 -0.110 0.000 1.191 278 L HN 0.956 9.069 8.230 0.003 0.119 0.431 279 K N 6.603 127.053 120.400 0.084 0.000 2.293 279 K HA 0.938 5.604 4.320 0.031 -0.327 0.267 279 K C -1.652 175.003 176.600 0.092 0.000 1.010 279 K CA -1.654 54.674 56.287 0.068 0.000 0.875 279 K CB 2.268 34.803 32.500 0.060 0.000 1.106 279 K HN 0.726 9.088 8.250 0.186 0.000 0.450 280 L N 7.510 128.694 121.223 -0.064 0.000 2.341 280 L HA 0.689 5.039 4.340 -0.229 -0.147 0.278 280 L C -0.896 175.714 176.870 -0.434 0.000 1.005 280 L CA -1.735 52.879 54.840 -0.377 0.000 0.818 280 L CB 3.039 44.580 42.059 -0.864 0.000 1.259 280 L HN 0.500 8.736 8.230 0.009 0.000 0.418 281 T N 5.336 119.678 114.554 -0.354 0.000 2.738 281 T HA 0.357 4.783 4.350 -0.124 -0.151 0.298 281 T C -0.552 173.977 174.700 -0.286 0.000 0.962 281 T CA 0.844 62.811 62.100 -0.222 0.000 0.972 281 T CB 0.043 68.853 68.868 -0.096 0.000 0.928 281 T HN 0.724 8.804 8.240 -0.268 0.000 0.474 282 F N 6.777 126.757 119.950 0.050 0.000 2.450 282 F HA 0.342 5.040 4.527 0.054 -0.139 0.328 282 F C -0.592 175.262 175.800 0.090 0.000 1.068 282 F CA -0.680 57.369 58.000 0.082 0.000 1.007 282 F CB 3.333 42.427 39.000 0.156 0.000 1.251 282 F HN 1.025 9.320 8.300 0.179 0.112 0.492 283 D N -1.626 118.950 120.400 0.294 0.000 2.757 283 D HA 0.486 5.228 4.640 0.171 0.000 0.249 283 D C -1.576 174.749 176.300 0.041 0.000 1.168 283 D CA -3.460 50.630 54.000 0.150 0.000 0.870 283 D CB 3.220 44.075 40.800 0.090 0.000 1.411 283 D HN -0.187 8.389 8.370 0.350 0.004 0.525 284 P HA 0.395 4.835 4.420 -0.306 -0.204 0.253 284 P C -0.355 176.860 177.300 -0.141 0.000 1.260 284 P CA -0.089 62.830 63.100 -0.302 0.000 0.800 284 P CB 0.800 32.070 31.700 -0.716 0.000 1.162 285 G N -1.520 107.247 108.800 -0.056 0.000 2.493 285 G HA2 -0.225 3.714 3.960 -0.036 0.000 0.206 285 G HA3 -0.225 3.773 3.960 -0.011 -0.044 0.206 285 G C -1.246 173.648 174.900 -0.009 0.000 1.109 285 G CA 0.410 45.494 45.100 -0.027 0.000 0.689 285 G HN 0.153 8.638 8.290 -0.026 -0.210 0.516 286 T N 1.220 115.766 114.554 -0.013 0.000 2.977 286 T HA 0.203 4.564 4.350 0.018 0.000 0.346 286 T C -0.054 174.670 174.700 0.040 0.000 1.140 286 T CA -1.961 60.147 62.100 0.014 0.000 1.040 286 T CB -0.396 68.480 68.868 0.014 0.000 1.046 286 T HN -0.416 7.729 8.240 -0.040 0.071 0.494 287 V N 9.566 129.514 119.914 0.056 0.000 3.241 287 V HA -0.231 3.972 4.120 0.138 0.000 0.269 287 V C 0.535 176.694 176.094 0.107 0.000 1.151 287 V CA 1.106 63.465 62.300 0.098 0.000 1.158 287 V CB 0.228 32.097 31.823 0.077 0.000 0.764 287 V HN 0.759 8.986 8.190 0.043 -0.011 0.508 288 E N -0.979 119.270 120.200 0.080 0.000 2.409 288 E HA -0.280 4.111 4.350 0.070 0.000 0.198 288 E C 0.682 177.339 176.600 0.094 0.000 1.024 288 E CA 1.815 58.259 56.400 0.074 0.000 0.861 288 E CB -0.587 29.143 29.700 0.051 0.000 0.788 288 E HN -0.330 7.979 8.360 0.063 0.090 0.521 289 D N -1.785 118.695 120.400 0.134 0.000 2.144 289 D HA -0.171 4.543 4.640 0.124 0.000 0.200 289 D C -0.470 175.938 176.300 0.179 0.000 0.978 289 D CA 1.831 55.937 54.000 0.176 0.000 0.833 289 D CB 1.406 42.368 40.800 0.269 0.000 0.961 289 D HN -0.524 7.883 8.370 0.131 0.042 0.470 290 G N -4.716 104.210 108.800 0.210 0.000 2.220 290 G HA2 -0.132 3.944 3.960 0.064 0.000 0.232 290 G HA3 -0.132 3.889 3.960 0.101 0.000 0.232 290 G C -2.336 172.623 174.900 0.099 0.000 1.680 290 G CA -0.783 44.388 45.100 0.119 0.000 0.922 290 G HN -0.675 7.648 8.290 0.251 0.118 0.723 291 L N 5.486 126.681 121.223 -0.045 0.000 2.525 291 L HA -0.067 4.278 4.340 0.009 0.000 0.278 291 L C -0.712 175.922 176.870 -0.392 0.000 1.218 291 L CA 0.879 55.589 54.840 -0.217 0.000 0.878 291 L CB 0.261 42.053 42.059 -0.445 0.000 1.127 291 L HN 0.440 8.661 8.230 -0.015 0.000 0.492 292 L N 4.778 125.946 121.223 -0.092 0.000 2.280 292 L HA 0.653 4.958 4.340 -0.332 -0.164 0.287 292 L C -1.343 175.507 176.870 -0.033 0.000 1.023 292 L CA -1.782 52.986 54.840 -0.119 0.000 0.819 292 L CB 1.864 44.015 42.059 0.153 0.000 1.212 292 L HN -0.226 8.077 8.230 0.121 0.000 0.420 293 T N 9.680 124.155 114.554 -0.131 0.000 2.824 293 T HA 0.718 5.312 4.350 0.102 -0.182 0.280 293 T C -1.562 173.318 174.700 0.300 0.000 0.995 293 T CA -0.766 61.384 62.100 0.084 0.000 1.009 293 T CB 1.899 70.820 68.868 0.088 0.000 0.955 293 T HN 0.872 8.840 8.240 -0.270 0.109 0.452 294 V N 3.841 123.987 119.914 0.387 0.000 2.686 294 V HA 0.509 5.017 4.120 0.326 -0.192 0.306 294 V C -1.789 174.326 176.094 0.036 0.000 1.065 294 V CA -1.983 60.466 62.300 0.249 0.000 0.894 294 V CB 3.465 35.386 31.823 0.163 0.000 1.004 294 V HN 0.384 8.747 8.190 0.288 0.000 0.424 295 E N 7.312 127.277 120.200 -0.392 0.000 2.113 295 E HA 0.516 4.890 4.350 -0.228 -0.161 0.273 295 E C -0.610 175.865 176.600 -0.207 0.000 0.924 295 E CA -0.709 55.437 56.400 -0.424 0.000 0.764 295 E CB 1.416 30.596 29.700 -0.868 0.000 1.104 295 E HN -0.138 7.857 8.360 -0.608 0.000 0.406 296 C N 2.010 121.280 119.300 -0.049 0.000 3.161 296 C HA 0.562 5.065 4.460 0.072 0.000 0.330 296 C C -1.401 173.641 174.990 0.088 0.000 1.396 296 C CA -4.017 55.043 59.018 0.070 0.000 1.536 296 C CB 3.761 31.565 27.740 0.107 0.000 1.978 296 C HN 0.819 8.922 8.230 -0.032 0.108 0.454 297 K N -0.276 120.225 120.400 0.169 0.000 2.102 297 K HA 0.110 4.457 4.320 0.044 0.000 0.244 297 K C 1.866 178.563 176.600 0.162 0.000 1.021 297 K CA -1.249 55.111 56.287 0.121 0.000 0.913 297 K CB 0.536 33.113 32.500 0.129 0.000 1.062 297 K HN 0.315 8.723 8.250 0.263 0.000 0.485 298 L N -1.397 119.884 121.223 0.097 0.000 2.275 298 L HA -0.260 4.225 4.340 0.242 0.000 0.215 298 L C 0.043 177.077 176.870 0.273 0.000 1.119 298 L CA 2.231 57.162 54.840 0.151 0.000 0.790 298 L CB -1.253 40.711 42.059 -0.159 0.000 0.919 298 L HN 0.742 8.990 8.230 0.030 0.000 0.443 299 D N -9.278 111.237 120.400 0.192 0.000 2.358 299 D HA -0.160 4.618 4.640 0.231 0.000 0.224 299 D C -0.688 175.693 176.300 0.136 0.000 1.123 299 D CA -1.198 52.924 54.000 0.203 0.000 0.833 299 D CB -0.650 40.259 40.800 0.181 0.000 0.946 299 D HN -0.335 8.078 8.370 0.149 0.046 0.505 300 H N 3.283 122.354 119.070 0.001 0.000 2.819 300 H HA 0.202 4.569 4.556 -0.314 0.000 0.303 300 H C -1.643 173.341 175.328 -0.574 0.000 1.058 300 H CA -0.825 55.049 56.048 -0.290 0.000 1.471 300 H CB 0.861 30.472 29.762 -0.253 0.000 1.480 300 H HN -0.641 7.715 8.280 0.276 0.090 0.517 301 P HA 0.266 4.725 4.420 -0.129 -0.117 0.280 301 P C -1.785 175.374 177.300 -0.235 0.000 1.244 301 P CA -0.151 62.759 63.100 -0.316 0.000 0.784 301 P CB 0.727 32.199 31.700 -0.381 0.000 0.913 302 F N 1.347 121.483 119.950 0.309 0.000 2.477 302 F HA 0.226 4.897 4.527 0.241 0.000 0.335 302 F C -0.733 175.111 175.800 0.074 0.000 1.130 302 F CA -1.814 56.321 58.000 0.224 0.000 0.948 302 F CB 3.306 42.422 39.000 0.195 0.000 1.154 302 F HN 0.935 9.279 8.300 0.245 0.104 0.439 303 Y N 5.906 126.173 120.300 -0.055 0.000 2.620 303 Y HA -0.037 4.285 4.550 -0.593 -0.127 0.352 303 Y C -1.353 174.426 175.900 -0.202 0.000 1.140 303 Y CA -0.245 57.585 58.100 -0.451 0.000 1.529 303 Y CB -0.630 37.356 38.460 -0.790 0.000 1.321 303 Y HN 0.033 8.440 8.280 0.211 0.000 0.501 304 V N 8.466 128.284 119.914 -0.159 0.000 2.530 304 V HA 0.127 4.473 4.120 0.017 -0.216 0.282 304 V C -0.216 175.840 176.094 -0.063 0.000 1.048 304 V CA -0.882 61.380 62.300 -0.063 0.000 0.997 304 V CB 0.474 32.249 31.823 -0.079 0.000 0.987 304 V HN 0.680 8.693 8.190 -0.294 0.000 0.477 305 K N 9.275 129.688 120.400 0.021 0.000 2.484 305 K HA -0.383 4.001 4.320 0.106 0.000 0.280 305 K C -0.199 176.405 176.600 0.007 0.000 1.013 305 K CA 2.470 58.783 56.287 0.042 0.000 1.029 305 K CB 0.279 32.796 32.500 0.028 0.000 0.902 305 K HN 0.665 8.821 8.250 0.025 0.109 0.481 306 N N 0.317 119.027 118.700 0.016 0.000 2.951 306 N HA -0.211 4.536 4.740 0.011 0.000 0.213 306 N C -0.401 175.085 175.510 -0.040 0.000 0.877 306 N CA 2.535 55.583 53.050 -0.002 0.000 1.042 306 N CB -0.840 37.648 38.487 0.002 0.000 1.005 306 N HN 0.550 8.964 8.380 0.056 0.000 0.604 307 K N -0.265 120.080 120.400 -0.091 0.000 2.344 307 K HA 0.019 4.291 4.320 -0.079 0.000 0.200 307 K C 0.222 176.678 176.600 -0.241 0.000 1.132 307 K CA 0.402 56.614 56.287 -0.124 0.000 0.935 307 K CB 2.210 34.648 32.500 -0.104 0.000 1.089 307 K HN -0.346 7.729 8.250 -0.100 0.114 0.496 308 G N -0.892 107.621 108.800 -0.478 0.000 2.472 308 G HA2 -0.202 3.400 3.960 -0.596 0.000 0.205 308 G HA3 -0.202 2.736 3.960 -1.704 0.000 0.205 308 G C -2.002 172.320 174.900 -0.964 0.000 1.270 308 G CA -0.734 43.792 45.100 -0.957 0.000 0.974 308 G HN -0.125 7.806 8.290 -0.428 0.103 0.542 309 W N 1.828 122.741 121.300 -0.645 0.000 2.591 309 W HA -0.104 4.438 4.660 -0.391 -0.116 0.330 309 W C -0.614 175.764 176.519 -0.234 0.000 1.435 309 W CA 0.971 58.084 57.345 -0.387 0.000 1.350 309 W CB -0.334 28.957 29.460 -0.282 0.000 1.434 309 W HN 0.193 7.990 8.180 -0.639 0.000 0.553 310 S N 4.828 120.561 115.700 0.056 0.000 2.632 310 S HA 0.901 5.601 4.470 -0.001 -0.230 0.289 310 S C -1.446 173.223 174.600 0.114 0.000 1.115 310 S CA -0.808 57.404 58.200 0.020 0.000 0.889 310 S CB 4.051 67.206 63.200 -0.076 0.000 1.116 310 S HN 0.903 9.149 8.310 0.083 0.113 0.486 311 S N -1.343 114.381 115.700 0.041 0.000 2.661 311 S HA 0.408 5.116 4.470 0.396 0.000 0.268 311 S C -0.868 173.702 174.600 -0.050 0.000 1.162 311 S CA -0.824 57.470 58.200 0.157 0.000 0.817 311 S CB 1.635 64.944 63.200 0.182 0.000 1.141 311 S HN 0.628 8.804 8.310 -0.062 0.096 0.477 312 F N 1.237 121.251 119.950 0.107 0.000 2.446 312 F HA 0.062 4.497 4.527 -0.153 0.000 0.292 312 F C -0.006 175.602 175.800 -0.320 0.000 1.096 312 F CA 1.654 59.586 58.000 -0.113 0.000 1.438 312 F CB 1.082 40.031 39.000 -0.086 0.000 1.107 312 F HN 0.669 9.361 8.300 0.653 0.000 0.546 313 Y N -2.767 117.681 120.300 0.246 0.000 2.747 313 Y HA 0.318 4.939 4.550 0.119 0.000 0.362 313 Y C -2.293 173.662 175.900 0.092 0.000 1.026 313 Y CA -2.138 56.048 58.100 0.142 0.000 1.135 313 Y CB -0.732 37.807 38.460 0.133 0.000 1.175 313 Y HN -0.853 7.710 8.280 0.471 0.000 0.643 314 P HA -0.173 4.297 4.420 0.084 0.000 0.218 314 P C 0.773 178.121 177.300 0.080 0.000 1.148 314 P CA 1.975 65.125 63.100 0.083 0.000 0.822 314 P CB 0.084 31.799 31.700 0.026 0.000 0.784 315 S N -2.880 112.877 115.700 0.094 0.000 2.428 315 S HA -0.175 4.324 4.470 0.049 0.000 0.230 315 S C 1.111 175.757 174.600 0.076 0.000 1.014 315 S CA 3.065 61.309 58.200 0.074 0.000 0.957 315 S CB -0.838 62.407 63.200 0.075 0.000 0.784 315 S HN 0.235 8.586 8.310 0.113 0.026 0.499 316 L N 0.739 122.032 121.223 0.117 0.000 2.168 316 L HA 0.079 4.450 4.340 0.051 0.000 0.203 316 L C 1.185 178.105 176.870 0.082 0.000 1.078 316 L CA 2.247 57.139 54.840 0.087 0.000 0.780 316 L CB 0.388 42.504 42.059 0.094 0.000 0.939 316 L HN -0.251 7.933 8.230 0.173 0.149 0.451 317 T N 2.631 117.254 114.554 0.116 0.000 2.665 317 T HA -0.423 4.029 4.350 0.169 0.000 0.268 317 T C 2.001 176.740 174.700 0.065 0.000 1.035 317 T CA 4.801 66.967 62.100 0.110 0.000 1.151 317 T CB -0.675 68.238 68.868 0.074 0.000 0.862 317 T HN 0.283 8.612 8.240 0.147 0.000 0.438 318 V N 0.287 120.217 119.914 0.027 0.000 2.626 318 V HA -0.276 3.962 4.120 -0.028 -0.135 0.252 318 V C 0.520 176.608 176.094 -0.011 0.000 1.067 318 V CA 2.923 65.219 62.300 -0.006 0.000 1.081 318 V CB -0.604 31.213 31.823 -0.009 0.000 0.686 318 V HN -0.504 7.709 8.190 0.038 0.000 0.468 319 V N -0.363 119.550 119.914 -0.002 0.000 2.591 319 V HA -0.312 3.793 4.120 -0.025 0.000 0.249 319 V C 1.884 177.949 176.094 -0.048 0.000 1.053 319 V CA 3.058 65.346 62.300 -0.020 0.000 1.068 319 V CB -0.462 31.354 31.823 -0.011 0.000 0.689 319 V HN -0.544 7.517 8.190 0.016 0.139 0.462 320 Q N -1.948 117.823 119.800 -0.048 0.000 2.259 320 Q HA -0.071 4.177 4.340 -0.154 0.000 0.201 320 Q C 1.455 177.274 176.000 -0.301 0.000 0.938 320 Q CA 2.005 57.717 55.803 -0.151 0.000 0.872 320 Q CB 1.079 29.747 28.738 -0.117 0.000 0.971 320 Q HN -0.284 7.849 8.270 -0.000 0.137 0.494 321 H N -4.881 114.126 119.070 -0.105 0.000 2.755 321 H HA 0.235 4.715 4.556 -0.128 0.000 0.273 321 H C 0.105 175.338 175.328 -0.158 0.000 1.055 321 H CA 0.011 55.971 56.048 -0.147 0.000 1.191 321 H CB 1.648 31.285 29.762 -0.209 0.000 1.536 321 H HN 0.376 8.582 8.280 0.058 0.108 0.529 322 G N 0.367 109.144 108.800 -0.038 0.000 2.160 322 G HA2 -0.421 3.496 3.960 -0.072 0.000 0.251 322 G HA3 -0.421 3.662 3.960 -0.055 -0.156 0.251 322 G C -0.770 174.068 174.900 -0.103 0.000 1.008 322 G CA 0.714 45.774 45.100 -0.067 0.000 0.724 322 G HN -0.361 7.835 8.290 -0.031 0.075 0.514 323 I N 0.546 121.041 120.570 -0.124 0.000 2.382 323 I HA 0.265 4.304 4.170 -0.218 0.000 0.285 323 I C -2.248 173.793 176.117 -0.127 0.000 1.007 323 I CA -3.567 57.605 61.300 -0.214 0.000 1.142 323 I CB 1.757 39.495 38.000 -0.437 0.000 1.289 323 I HN -0.763 7.368 8.210 -0.074 0.035 0.453 324 P HA 0.174 4.581 4.420 -0.022 0.000 0.270 324 P C -1.192 176.102 177.300 -0.010 0.000 1.242 324 P CA -0.294 62.786 63.100 -0.033 0.000 0.768 324 P CB -0.301 31.387 31.700 -0.021 0.000 0.820 325 C N 2.920 122.222 119.300 0.003 0.000 2.529 325 C HA 0.298 4.965 4.460 0.059 -0.172 0.329 325 C C -0.380 174.611 174.990 0.001 0.000 1.194 325 C CA -1.418 57.616 59.018 0.026 0.000 1.779 325 C CB 3.419 31.182 27.740 0.038 0.000 2.322 325 C HN -0.052 8.180 8.230 0.002 0.000 0.500 326 C N 2.226 121.514 119.300 -0.019 0.000 2.403 326 C HA 0.230 4.664 4.460 -0.043 0.000 0.361 326 C C -0.642 174.283 174.990 -0.108 0.000 1.274 326 C CA -1.928 57.057 59.018 -0.056 0.000 2.433 326 C CB 1.970 29.670 27.740 -0.067 0.000 2.323 326 C HN 0.740 8.850 8.230 -0.010 0.115 0.614 327 E N 1.546 121.652 120.200 -0.157 0.000 2.290 327 E HA 0.131 4.481 4.350 -0.269 -0.162 0.277 327 E C -0.463 175.844 176.600 -0.488 0.000 1.035 327 E CA -0.091 56.133 56.400 -0.292 0.000 0.873 327 E CB 0.479 30.019 29.700 -0.266 0.000 1.029 327 E HN 0.088 8.379 8.360 -0.115 0.000 0.419 328 I N 3.141 123.376 120.570 -0.558 0.000 3.021 328 I HA 0.109 4.111 4.170 -0.429 -0.090 0.303 328 I C -1.127 174.503 176.117 -0.813 0.000 1.044 328 I CA -1.448 59.498 61.300 -0.591 0.000 1.266 328 I CB 1.052 38.707 38.000 -0.576 0.000 1.447 328 I HN -0.425 7.460 8.210 -0.541 0.000 0.593 329 H N 0.450 119.399 119.070 -0.201 0.000 2.821 329 H HA 0.260 4.734 4.556 -0.136 0.000 0.373 329 H C -0.203 175.062 175.328 -0.104 0.000 1.165 329 H CA -1.784 54.184 56.048 -0.133 0.000 1.154 329 H CB 3.599 33.311 29.762 -0.084 0.000 1.765 329 H HN 0.359 8.833 8.280 -0.207 -0.318 0.549 330 I N 2.175 122.787 120.570 0.070 0.000 2.769 330 I HA -0.351 3.832 4.170 0.021 0.000 0.285 330 I C 1.037 177.175 176.117 0.035 0.000 1.173 330 I CA 1.736 63.063 61.300 0.045 0.000 1.389 330 I CB -1.874 36.165 38.000 0.064 0.000 1.404 330 I HN 0.418 8.691 8.210 0.104 0.000 0.544 331 G N 6.953 115.762 108.800 0.015 0.000 2.205 331 G HA2 -0.258 3.714 3.960 0.021 0.000 0.180 331 G HA3 -0.258 3.890 3.960 0.018 -0.177 0.180 331 G C -1.067 173.847 174.900 0.024 0.000 1.004 331 G CA -0.514 44.598 45.100 0.020 0.000 0.670 331 G HN 0.352 8.639 8.290 -0.004 0.000 0.496 332 D N 2.222 122.631 120.400 0.016 0.000 2.348 332 D HA 0.162 4.817 4.640 0.024 0.000 0.253 332 D C -0.727 175.597 176.300 0.039 0.000 1.161 332 D CA 0.396 54.405 54.000 0.015 0.000 0.876 332 D CB 1.243 42.031 40.800 -0.021 0.000 1.160 332 D HN -0.045 8.325 8.370 -0.001 0.000 0.459 333 V N 4.808 124.747 119.914 0.042 0.000 2.509 333 V HA 0.233 4.551 4.120 0.107 -0.134 0.284 333 V C -1.164 174.959 176.094 0.048 0.000 1.047 333 V CA -1.409 60.925 62.300 0.058 0.000 0.952 333 V CB 2.074 33.911 31.823 0.025 0.000 0.988 333 V HN 0.319 8.526 8.190 0.028 0.000 0.469 334 C N 8.800 128.139 119.300 0.065 0.000 2.319 334 C HA 0.788 5.461 4.460 0.078 -0.166 0.335 334 C C -0.497 174.480 174.990 -0.021 0.000 1.274 334 C CA -2.479 56.575 59.018 0.060 0.000 1.806 334 C CB 0.421 28.206 27.740 0.075 0.000 2.329 334 C HN 0.775 8.925 8.230 0.090 0.134 0.524 335 L N 5.041 126.198 121.223 -0.111 0.000 2.322 335 L HA 0.391 4.440 4.340 -0.484 0.000 0.279 335 L C -2.022 174.501 176.870 -0.579 0.000 1.036 335 L CA -2.381 52.227 54.840 -0.387 0.000 0.807 335 L CB 0.466 42.312 42.059 -0.356 0.000 1.226 335 L HN 0.764 8.908 8.230 0.032 0.105 0.433 336 P HA 0.322 4.135 4.420 -1.012 0.000 0.280 336 P C -2.507 174.211 177.300 -0.970 0.000 1.272 336 P CA -2.711 59.793 63.100 -0.994 0.000 0.819 336 P CB -0.570 30.550 31.700 -0.966 0.000 1.122 337 P HA -0.079 3.299 4.420 -1.737 0.000 0.276 337 P C 0.205 177.149 177.300 -0.594 0.000 1.264 337 P CA 0.686 62.993 63.100 -1.323 0.000 0.769 337 P CB -0.505 30.506 31.700 -1.148 0.000 0.840 338 G N 4.489 113.028 108.800 -0.435 0.000 2.284 338 G HA2 -0.248 3.585 3.960 -0.211 0.000 0.201 338 G HA3 -0.248 3.595 3.960 -0.194 0.000 0.201 338 G C -0.695 174.093 174.900 -0.188 0.000 0.998 338 G CA -0.492 44.463 45.100 -0.242 0.000 0.651 338 G HN 0.220 8.220 8.290 -0.483 0.000 0.489 339 H N 4.458 123.336 119.070 -0.321 0.000 2.929 339 H HA 0.257 4.700 4.556 -0.188 0.000 0.317 339 H C 0.176 175.382 175.328 -0.204 0.000 1.031 339 H CA -1.215 54.684 56.048 -0.248 0.000 1.466 339 H CB 1.831 31.421 29.762 -0.286 0.000 1.482 339 H HN -0.519 7.538 8.280 -0.258 0.068 0.561 340 P HA -0.107 4.209 4.420 -0.174 0.000 0.228 340 P C -0.401 176.801 177.300 -0.164 0.000 1.151 340 P CA 1.392 64.339 63.100 -0.254 0.000 0.770 340 P CB 0.118 31.659 31.700 -0.265 0.000 0.786 341 D N -1.677 118.651 120.400 -0.120 0.000 2.327 341 D HA -0.038 4.609 4.640 0.011 0.000 0.205 341 D C -0.506 175.834 176.300 0.067 0.000 0.989 341 D CA 0.151 54.186 54.000 0.057 0.000 0.873 341 D CB 0.855 41.781 40.800 0.210 0.000 0.955 341 D HN -0.589 7.556 8.370 -0.267 0.065 0.515 342 A N -0.728 122.063 122.820 -0.048 0.000 2.797 342 A HA -0.015 4.081 4.320 -0.373 0.000 0.296 342 A C 0.236 177.721 177.584 -0.166 0.000 1.580 342 A CA -0.254 51.551 52.037 -0.387 0.000 1.277 342 A CB -1.133 17.411 19.000 -0.760 0.000 1.101 342 A HN -0.539 7.512 8.150 0.016 0.109 0.562 343 I N 3.212 123.818 120.570 0.060 0.000 2.252 343 I HA -0.378 3.812 4.170 0.033 0.000 0.245 343 I C 0.537 176.732 176.117 0.130 0.000 1.102 343 I CA 2.390 63.742 61.300 0.086 0.000 1.385 343 I CB 0.300 38.362 38.000 0.103 0.000 1.064 343 I HN -0.352 7.964 8.210 0.177 0.000 0.414 344 N N -0.092 118.759 118.700 0.252 0.000 2.804 344 N HA 0.186 5.064 4.740 0.231 0.000 0.251 344 N C -1.937 173.867 175.510 0.489 0.000 1.250 344 N CA -0.706 52.525 53.050 0.303 0.000 0.820 344 N CB 0.382 39.029 38.487 0.267 0.000 1.156 344 N HN -0.306 8.317 8.380 0.405 0.000 0.512 345 F N 0.000 120.078 119.950 0.214 0.000 2.286 345 F HA 0.000 4.938 4.527 0.686 0.000 0.279 345 F CA 0.000 58.196 58.000 0.327 0.000 1.383 345 F CB 0.000 38.946 39.000 -0.090 0.000 1.145 345 F HN 0.000 8.498 8.300 0.331 0.000 0.574