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 1hru_1_B DATA FIRST_RESID 204 DATA SEQUENCE NLQRDAIAAA IDVLNEERVI AYPTEAVFGV GCDPDSETAV XRLLELKQRP DATA SEQUENCE VDKGLILIAA NYEQLKPYID DTXLTDVQRE TIFSRWPGPV TFVFPAPATT DATA SEQUENCE PRWLTGRFDS LAVRVTDHPL VVALCQAYGK PLVSTSANLS GLPPCRTVDE DATA SEQUENCE VRAQFGAAFP VVPGETGGRL NPSEIRDALT GELF 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 204 N HA 0.000 nan 4.740 nan 0.000 0.220 204 N C 0.000 175.509 175.510 -0.001 0.000 1.280 204 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 204 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 205 L N 0.820 122.044 121.223 0.001 0.000 1.973 205 L HA -0.097 4.243 4.340 0.000 0.000 0.208 205 L C 2.424 179.297 176.870 0.004 0.000 1.073 205 L CA 1.644 56.487 54.840 0.005 0.000 0.746 205 L CB -0.489 41.575 42.059 0.009 0.000 0.891 205 L HN 0.288 nan 8.230 nan 0.000 0.433 206 Q N 0.308 120.108 119.800 0.001 0.000 2.096 206 Q HA -0.282 4.058 4.340 0.000 0.000 0.204 206 Q C 2.387 178.382 176.000 -0.008 0.000 0.982 206 Q CA 1.826 57.627 55.803 -0.003 0.000 0.850 206 Q CB -0.026 28.705 28.738 -0.013 0.000 0.901 206 Q HN 0.282 nan 8.270 nan 0.000 0.422 207 R N 0.033 120.528 120.500 -0.008 0.000 2.091 207 R HA -0.178 4.162 4.340 0.000 0.000 0.238 207 R C 1.488 177.784 176.300 -0.006 0.000 1.136 207 R CA 2.003 58.097 56.100 -0.009 0.000 0.959 207 R CB -0.051 30.244 30.300 -0.008 0.000 0.856 207 R HN 0.307 nan 8.270 nan 0.000 0.437 208 D N 0.004 120.402 120.400 -0.003 0.000 2.144 208 D HA -0.093 4.547 4.640 0.000 0.000 0.200 208 D C 1.700 177.999 176.300 -0.003 0.000 0.978 208 D CA 1.444 55.442 54.000 -0.002 0.000 0.833 208 D CB -0.225 40.575 40.800 0.001 0.000 0.961 208 D HN 0.398 nan 8.370 nan 0.000 0.470 209 A N 0.604 123.424 122.820 0.000 0.000 1.898 209 A HA -0.114 4.206 4.320 0.000 0.000 0.216 209 A C 2.348 179.927 177.584 -0.009 0.000 1.181 209 A CA 0.823 52.863 52.037 0.004 0.000 0.620 209 A CB -0.645 18.365 19.000 0.017 0.000 0.819 209 A HN 0.190 nan 8.150 nan 0.000 0.442 210 I N -0.327 120.233 120.570 -0.017 0.000 2.252 210 I HA -0.254 3.916 4.170 0.000 0.000 0.245 210 I C 2.977 179.078 176.117 -0.027 0.000 1.102 210 I CA 0.926 62.207 61.300 -0.032 0.000 1.385 210 I CB -0.368 37.615 38.000 -0.029 0.000 1.064 210 I HN 0.363 nan 8.210 nan 0.000 0.414 211 A N 0.920 123.731 122.820 -0.014 0.000 1.883 211 A HA -0.206 4.114 4.320 0.000 0.000 0.217 211 A C 2.543 180.118 177.584 -0.015 0.000 1.186 211 A CA 2.064 54.096 52.037 -0.008 0.000 0.624 211 A CB -0.897 18.101 19.000 -0.004 0.000 0.822 211 A HN 0.431 nan 8.150 nan 0.000 0.444 212 A N -0.367 122.442 122.820 -0.019 0.000 1.930 212 A HA 0.210 4.530 4.320 0.000 0.000 0.217 212 A C 2.484 180.042 177.584 -0.043 0.000 1.175 212 A CA 1.942 53.963 52.037 -0.026 0.000 0.627 212 A CB -0.959 18.028 19.000 -0.022 0.000 0.815 212 A HN 1.064 nan 8.150 nan 0.000 0.443 213 A N 0.310 123.100 122.820 -0.049 0.000 1.883 213 A HA -0.109 4.211 4.320 0.000 0.000 0.217 213 A C 1.982 179.496 177.584 -0.116 0.000 1.186 213 A CA 1.664 53.654 52.037 -0.079 0.000 0.624 213 A CB -0.525 18.424 19.000 -0.084 0.000 0.822 213 A HN 0.424 nan 8.150 nan 0.000 0.444 214 I N 0.427 120.944 120.570 -0.089 0.000 2.361 214 I HA -0.194 3.976 4.170 0.000 0.000 0.251 214 I C 1.607 177.711 176.117 -0.022 0.000 1.133 214 I CA 1.523 62.787 61.300 -0.060 0.000 1.413 214 I CB -1.457 36.570 38.000 0.044 0.000 1.073 214 I HN 0.279 nan 8.210 nan 0.000 0.424 215 D N 0.821 121.206 120.400 -0.024 0.000 2.144 215 D HA -0.100 4.540 4.640 0.000 0.000 0.200 215 D C 2.449 178.728 176.300 -0.034 0.000 0.978 215 D CA 0.890 54.880 54.000 -0.016 0.000 0.833 215 D CB -0.098 40.690 40.800 -0.020 0.000 0.961 215 D HN 0.130 nan 8.370 nan 0.000 0.470 216 V N 1.060 120.936 119.914 -0.064 0.000 2.307 216 V HA -0.205 3.915 4.120 0.000 0.000 0.245 216 V C 2.671 178.720 176.094 -0.075 0.000 1.045 216 V CA 1.091 63.341 62.300 -0.083 0.000 1.024 216 V CB -0.506 31.245 31.823 -0.120 0.000 0.651 216 V HN 0.184 nan 8.190 nan 0.000 0.449 217 L N 0.380 121.539 121.223 -0.105 0.000 2.042 217 L HA -0.209 4.131 4.340 0.000 0.000 0.210 217 L C 2.422 179.301 176.870 0.014 0.000 1.076 217 L CA 1.640 56.414 54.840 -0.110 0.000 0.749 217 L CB -0.791 41.050 42.059 -0.363 0.000 0.893 217 L HN 0.393 nan 8.230 nan 0.000 0.432 218 N N 0.066 118.793 118.700 0.047 0.000 2.381 218 N HA -0.162 4.578 4.740 0.000 0.000 0.182 218 N C 1.515 177.045 175.510 0.034 0.000 1.025 218 N CA 0.951 54.047 53.050 0.076 0.000 0.888 218 N CB -0.115 38.416 38.487 0.073 0.000 0.965 218 N HN 0.446 nan 8.380 nan 0.000 0.438 219 E N 0.593 120.796 120.200 0.005 0.000 2.511 219 E HA -0.030 4.320 4.350 0.000 0.000 0.196 219 E C -0.272 176.324 176.600 -0.008 0.000 1.066 219 E CA -0.007 56.389 56.400 -0.007 0.000 0.871 219 E CB 0.027 29.712 29.700 -0.025 0.000 0.863 219 E HN 0.257 nan 8.360 nan 0.000 0.520 220 E N 0.054 120.256 120.200 0.003 0.000 2.694 220 E HA -0.230 4.120 4.350 0.000 0.000 0.272 220 E C -0.544 176.048 176.600 -0.014 0.000 1.040 220 E CA 0.152 56.552 56.400 0.000 0.000 0.809 220 E CB -0.440 29.254 29.700 -0.009 0.000 1.389 220 E HN 0.154 nan 8.360 nan 0.000 0.413 221 R N -0.841 119.643 120.500 -0.026 0.000 2.875 221 R HA 0.611 4.951 4.340 0.000 0.000 0.251 221 R C -0.198 176.079 176.300 -0.039 0.000 1.123 221 R CA -0.827 55.251 56.100 -0.037 0.000 1.064 221 R CB 1.578 31.835 30.300 -0.070 0.000 1.205 221 R HN -0.088 nan 8.270 nan 0.000 0.503 222 V N 2.164 122.060 119.914 -0.029 0.000 2.607 222 V HA 0.392 4.512 4.120 0.000 0.000 0.289 222 V C 0.240 176.277 176.094 -0.096 0.000 1.053 222 V CA -0.329 61.979 62.300 0.013 0.000 0.996 222 V CB 1.317 33.234 31.823 0.158 0.000 0.995 222 V HN 0.552 nan 8.190 nan 0.000 0.476 223 I N 2.779 123.343 120.570 -0.011 0.000 2.730 223 I HA 0.825 4.995 4.170 0.000 0.000 0.298 223 I C -0.181 175.986 176.117 0.084 0.000 1.089 223 I CA -0.677 60.601 61.300 -0.037 0.000 1.041 223 I CB 2.001 40.000 38.000 -0.003 0.000 1.235 223 I HN 0.709 nan 8.210 nan 0.000 0.423 224 A N 5.629 128.504 122.820 0.091 0.000 2.325 224 A HA 0.853 5.173 4.320 0.000 0.000 0.333 224 A C -1.615 176.023 177.584 0.091 0.000 1.155 224 A CA -0.235 51.793 52.037 -0.016 0.000 0.814 224 A CB 0.961 20.000 19.000 0.065 0.000 1.206 224 A HN 0.757 nan 8.150 nan 0.000 0.482 225 Y N -1.057 119.321 120.300 0.131 0.000 2.641 225 Y HA 0.689 5.240 4.550 0.000 0.000 0.333 225 Y C -3.268 172.337 175.900 -0.491 0.000 1.174 225 Y CA -2.931 55.144 58.100 -0.041 0.000 1.057 225 Y CB 0.859 39.275 38.460 -0.074 0.000 1.322 225 Y HN 0.457 nan 8.280 nan 0.000 0.457 226 P HA 0.249 nan 4.420 nan 0.000 0.275 226 P C -0.396 176.533 177.300 -0.619 0.000 1.227 226 P CA 0.229 62.609 63.100 -1.200 0.000 0.781 226 P CB 2.109 33.255 31.700 -0.923 0.000 0.906 227 T N -0.698 113.450 114.554 -0.676 0.000 2.633 227 T HA 0.319 4.669 4.350 0.000 0.000 0.262 227 T C 1.180 175.462 174.700 -0.695 0.000 0.920 227 T CA -0.396 61.309 62.100 -0.657 0.000 1.062 227 T CB 0.365 69.097 68.868 -0.227 0.000 1.390 227 T HN 0.136 nan 8.240 nan 0.000 0.549 228 E N 0.771 120.764 120.200 -0.345 0.000 2.038 228 E HA 0.043 4.393 4.350 0.000 0.000 0.195 228 E C 2.101 178.656 176.600 -0.075 0.000 1.000 228 E CA 1.932 58.251 56.400 -0.134 0.000 0.803 228 E CB -0.508 29.182 29.700 -0.017 0.000 0.750 228 E HN 0.705 nan 8.360 nan 0.000 0.448 229 A N -0.131 122.654 122.820 -0.059 0.000 2.055 229 A HA 0.330 4.650 4.320 0.000 0.000 0.205 229 A C 0.825 178.410 177.584 0.001 0.000 1.235 229 A CA 0.535 52.565 52.037 -0.013 0.000 0.822 229 A CB 0.390 19.393 19.000 0.005 0.000 0.903 229 A HN 0.141 nan 8.150 nan 0.000 0.473 230 V N -5.272 114.631 119.914 -0.018 0.000 3.156 230 V HA 0.790 4.910 4.120 0.000 0.000 0.310 230 V C -0.579 175.520 176.094 0.008 0.000 1.234 230 V CA -1.471 60.861 62.300 0.053 0.000 1.065 230 V CB 0.925 32.783 31.823 0.059 0.000 1.088 230 V HN 0.091 nan 8.190 nan 0.000 0.451 231 F N 0.804 120.697 119.950 -0.094 0.000 2.382 231 F HA 0.801 5.328 4.527 0.000 0.000 0.331 231 F C 1.151 176.814 175.800 -0.227 0.000 1.121 231 F CA 1.054 58.960 58.000 -0.156 0.000 1.183 231 F CB 1.447 40.365 39.000 -0.136 0.000 1.207 231 F HN 0.968 nan 8.300 nan 0.000 0.555 232 G N 0.339 108.944 108.800 -0.325 0.000 2.630 232 G HA2 0.643 4.603 3.960 0.000 0.000 0.296 232 G HA3 0.643 4.603 3.960 0.000 0.000 0.296 232 G C -1.701 172.817 174.900 -0.636 0.000 1.285 232 G CA -0.832 44.029 45.100 -0.399 0.000 0.958 232 G HN 0.679 nan 8.290 nan 0.000 0.479 233 V N -1.792 117.894 119.914 -0.380 0.000 2.769 233 V HA 1.046 5.166 4.120 0.000 0.000 0.312 233 V C 0.308 176.351 176.094 -0.086 0.000 1.061 233 V CA -0.082 62.049 62.300 -0.282 0.000 0.931 233 V CB 1.239 32.956 31.823 -0.177 0.000 1.010 233 V HN 1.543 nan 8.190 nan 0.000 0.433 234 G N 0.443 109.293 108.800 0.082 0.000 2.663 234 G HA2 0.825 4.785 3.960 0.000 0.000 0.299 234 G HA3 0.825 4.785 3.960 0.000 0.000 0.299 234 G C -0.855 174.121 174.900 0.127 0.000 1.372 234 G CA -0.033 45.173 45.100 0.177 0.000 0.781 234 G HN 2.013 nan 8.290 nan 0.000 0.491 235 C N -1.860 117.492 119.300 0.087 0.000 3.272 235 C HA 0.731 5.191 4.460 0.000 0.000 0.363 235 C C -1.064 173.962 174.990 0.060 0.000 1.514 235 C CA -0.829 58.213 59.018 0.040 0.000 1.185 235 C CB 1.202 28.973 27.740 0.051 0.000 1.716 235 C HN 0.766 nan 8.230 nan 0.000 0.440 236 D N 2.596 123.050 120.400 0.090 0.000 2.363 236 D HA 0.268 4.908 4.640 0.000 0.000 0.263 236 D C -0.824 175.598 176.300 0.203 0.000 1.258 236 D CA -1.547 52.581 54.000 0.214 0.000 0.907 236 D CB 0.977 41.911 40.800 0.223 0.000 1.107 236 D HN 0.446 nan 8.370 nan 0.000 0.495 237 P HA -0.101 nan 4.420 nan 0.000 0.222 237 P C 0.362 177.903 177.300 0.401 0.000 1.147 237 P CA 0.676 63.908 63.100 0.219 0.000 0.790 237 P CB 0.498 32.203 31.700 0.007 0.000 0.780 238 D N -0.451 120.166 120.400 0.362 0.000 2.317 238 D HA -0.018 4.622 4.640 0.000 0.000 0.211 238 D C 0.816 177.383 176.300 0.444 0.000 0.966 238 D CA 0.771 55.019 54.000 0.413 0.000 0.876 238 D CB -0.115 40.845 40.800 0.267 0.000 0.927 238 D HN 0.142 nan 8.370 nan 0.000 0.519 239 S N 0.543 116.402 115.700 0.265 0.000 2.422 239 S HA 0.073 4.543 4.470 0.000 0.000 0.298 239 S C 1.035 175.443 174.600 -0.321 0.000 1.118 239 S CA -0.621 57.601 58.200 0.036 0.000 1.083 239 S CB 1.647 64.857 63.200 0.017 0.000 0.971 239 S HN 0.061 nan 8.310 nan 0.000 0.478 240 E N 3.481 123.191 120.200 -0.816 0.000 2.153 240 E HA -0.130 4.221 4.350 0.000 0.000 0.194 240 E C 1.246 177.452 176.600 -0.657 0.000 0.988 240 E CA 1.589 57.095 56.400 -1.489 0.000 0.811 240 E CB -0.118 28.585 29.700 -1.661 0.000 0.746 240 E HN 0.778 nan 8.360 nan 0.000 0.466 241 T N 0.357 114.688 114.554 -0.371 0.000 2.777 241 T HA -0.086 4.264 4.350 0.000 0.000 0.266 241 T C 1.797 176.411 174.700 -0.143 0.000 1.040 241 T CA 1.207 63.186 62.100 -0.202 0.000 1.141 241 T CB -0.222 68.572 68.868 -0.123 0.000 0.868 241 T HN 0.345 nan 8.240 nan 0.000 0.444 242 A N 1.175 123.922 122.820 -0.123 0.000 1.873 242 A HA 0.113 4.433 4.320 0.000 0.000 0.215 242 A C 1.582 179.137 177.584 -0.048 0.000 1.186 242 A CA 0.745 52.749 52.037 -0.054 0.000 0.616 242 A CB -0.839 18.155 19.000 -0.010 0.000 0.823 242 A HN 0.318 nan 8.150 nan 0.000 0.442 246 L N 1.571 122.830 121.223 0.060 0.000 2.027 246 L HA 0.043 4.383 4.340 0.000 0.000 0.206 246 L C 1.791 178.712 176.870 0.084 0.000 1.074 246 L CA 1.572 56.465 54.840 0.088 0.000 0.745 246 L CB -0.091 42.019 42.059 0.085 0.000 0.898 246 L HN 0.157 nan 8.230 nan 0.000 0.433 247 L N -0.351 120.913 121.223 0.068 0.000 2.046 247 L HA -0.194 4.146 4.340 0.000 0.000 0.208 247 L C 2.630 179.533 176.870 0.056 0.000 1.077 247 L CA 1.338 56.218 54.840 0.067 0.000 0.747 247 L CB -0.716 41.382 42.059 0.066 0.000 0.896 247 L HN 0.353 nan 8.230 nan 0.000 0.432 248 E N 0.955 121.184 120.200 0.048 0.000 2.058 248 E HA -0.258 4.092 4.350 0.000 0.000 0.194 248 E C 2.029 178.658 176.600 0.048 0.000 0.997 248 E CA 1.392 57.816 56.400 0.041 0.000 0.801 248 E CB -0.359 29.362 29.700 0.034 0.000 0.746 248 E HN 0.254 nan 8.360 nan 0.000 0.450 249 L N 0.548 121.815 121.223 0.074 0.000 2.083 249 L HA -0.102 4.238 4.340 0.000 0.000 0.209 249 L C 1.688 178.597 176.870 0.066 0.000 1.083 249 L CA 1.822 56.718 54.840 0.092 0.000 0.752 249 L CB -0.160 42.000 42.059 0.169 0.000 0.899 249 L HN -0.004 nan 8.230 nan 0.000 0.433 250 K N -0.289 120.154 120.400 0.072 0.000 2.404 250 K HA 0.104 4.424 4.320 0.000 0.000 0.194 250 K C 0.063 176.681 176.600 0.030 0.000 1.023 250 K CA 0.090 56.409 56.287 0.053 0.000 1.094 250 K CB 0.173 32.717 32.500 0.073 0.000 0.841 250 K HN 0.496 nan 8.250 nan 0.000 0.523 251 Q N 0.834 120.652 119.800 0.029 0.000 2.435 251 Q HA -0.226 4.114 4.340 0.000 0.000 0.312 251 Q C -0.238 175.781 176.000 0.032 0.000 1.333 251 Q CA 0.621 56.437 55.803 0.023 0.000 0.883 251 Q CB -1.390 27.351 28.738 0.006 0.000 1.170 251 Q HN 0.272 nan 8.270 nan 0.000 0.443 252 R N 1.096 121.623 120.500 0.046 0.000 2.460 252 R HA 0.477 4.817 4.340 0.000 0.000 0.303 252 R C -2.559 173.779 176.300 0.062 0.000 0.968 252 R CA -1.999 54.135 56.100 0.057 0.000 0.889 252 R CB 1.151 31.492 30.300 0.069 0.000 1.123 252 R HN -0.161 nan 8.270 nan 0.000 0.455 253 P HA -0.035 nan 4.420 nan 0.000 0.271 253 P C 0.539 177.890 177.300 0.084 0.000 1.220 253 P CA -0.264 62.875 63.100 0.065 0.000 0.768 253 P CB 1.296 33.031 31.700 0.059 0.000 0.848 254 V N 2.972 122.937 119.914 0.085 0.000 2.568 254 V HA -0.246 3.874 4.120 0.000 0.000 0.253 254 V C 1.273 177.434 176.094 0.112 0.000 1.072 254 V CA 2.603 64.971 62.300 0.112 0.000 1.084 254 V CB -1.060 30.835 31.823 0.119 0.000 0.676 254 V HN 0.646 nan 8.190 nan 0.000 0.469 255 D N -1.345 119.100 120.400 0.075 0.000 2.378 255 D HA -0.143 4.497 4.640 0.000 0.000 0.227 255 D C 1.815 178.163 176.300 0.079 0.000 1.012 255 D CA 0.760 54.780 54.000 0.033 0.000 0.905 255 D CB -0.347 40.440 40.800 -0.022 0.000 0.895 255 D HN 0.416 nan 8.370 nan 0.000 0.532 256 K N -0.150 120.347 120.400 0.163 0.000 2.305 256 K HA 0.247 4.568 4.320 0.000 0.000 0.199 256 K C 0.861 177.670 176.600 0.348 0.000 1.047 256 K CA 0.515 56.969 56.287 0.279 0.000 0.976 256 K CB 0.186 32.804 32.500 0.197 0.000 0.765 256 K HN 0.281 nan 8.250 nan 0.000 0.474 257 G N 1.024 109.981 108.800 0.262 0.000 2.712 257 G HA2 -0.206 3.754 3.960 0.000 0.000 0.686 257 G HA3 -0.206 3.754 3.960 0.000 0.000 0.686 257 G C -0.944 174.061 174.900 0.175 0.000 1.321 257 G CA -0.913 44.333 45.100 0.244 0.000 0.813 257 G HN 0.065 nan 8.290 nan 0.000 0.599 258 L N 0.229 121.538 121.223 0.143 0.000 2.283 258 L HA 0.754 5.094 4.340 0.000 0.000 0.259 258 L C 0.526 177.445 176.870 0.082 0.000 1.027 258 L CA -1.296 53.611 54.840 0.113 0.000 0.828 258 L CB 2.077 44.209 42.059 0.122 0.000 1.380 258 L HN 0.593 nan 8.230 nan 0.000 0.425 259 I N 1.456 122.068 120.570 0.070 0.000 2.437 259 I HA 0.326 4.496 4.170 0.000 0.000 0.298 259 I C -1.004 175.130 176.117 0.028 0.000 0.984 259 I CA -0.651 60.682 61.300 0.055 0.000 1.214 259 I CB 1.755 39.793 38.000 0.064 0.000 1.365 259 I HN 0.181 nan 8.210 nan 0.000 0.469 260 L N 6.664 127.886 121.223 -0.002 0.000 2.307 260 L HA 0.538 4.878 4.340 0.000 0.000 0.284 260 L C -0.400 176.445 176.870 -0.041 0.000 1.023 260 L CA -0.155 54.647 54.840 -0.064 0.000 0.810 260 L CB 1.529 43.479 42.059 -0.181 0.000 1.231 260 L HN 0.439 nan 8.230 nan 0.000 0.423 261 I N 2.555 123.099 120.570 -0.043 0.000 2.493 261 I HA 0.864 5.034 4.170 0.000 0.000 0.298 261 I C -0.664 175.398 176.117 -0.092 0.000 0.998 261 I CA -0.282 60.987 61.300 -0.052 0.000 1.137 261 I CB 1.605 39.601 38.000 -0.006 0.000 1.310 261 I HN 0.735 nan 8.210 nan 0.000 0.445 262 A N 4.411 127.154 122.820 -0.128 0.000 2.593 262 A HA 0.758 5.078 4.320 0.000 0.000 0.290 262 A C 0.026 177.530 177.584 -0.133 0.000 1.126 262 A CA 0.008 51.970 52.037 -0.125 0.000 0.695 262 A CB 1.156 20.073 19.000 -0.138 0.000 1.290 262 A HN 0.867 nan 8.150 nan 0.000 0.414 263 A N 0.250 123.008 122.820 -0.103 0.000 2.016 263 A HA 0.260 4.580 4.320 0.000 0.000 0.217 263 A C 0.662 178.184 177.584 -0.103 0.000 1.162 263 A CA 1.278 53.260 52.037 -0.092 0.000 0.662 263 A CB -0.529 18.430 19.000 -0.067 0.000 0.812 263 A HN 1.128 nan 8.150 nan 0.000 0.450 264 N N -3.942 114.689 118.700 -0.115 0.000 2.823 264 N HA 0.118 4.858 4.740 0.000 0.000 0.251 264 N C 0.088 175.539 175.510 -0.098 0.000 1.392 264 N CA -0.512 52.478 53.050 -0.101 0.000 0.864 264 N CB 0.413 38.860 38.487 -0.066 0.000 1.481 264 N HN -0.090 nan 8.380 nan 0.000 0.508 265 Y N 1.009 121.173 120.300 -0.226 0.000 2.207 265 Y HA -0.135 4.415 4.550 0.000 0.000 0.287 265 Y C 1.856 177.670 175.900 -0.144 0.000 1.156 265 Y CA 2.017 59.988 58.100 -0.215 0.000 1.182 265 Y CB -0.088 38.237 38.460 -0.225 0.000 0.979 265 Y HN 0.695 nan 8.280 nan 0.000 0.521 266 E N 0.165 120.285 120.200 -0.133 0.000 2.097 266 E HA -0.259 4.091 4.350 0.000 0.000 0.196 266 E C 2.146 178.638 176.600 -0.181 0.000 1.000 266 E CA 1.908 58.203 56.400 -0.175 0.000 0.804 266 E CB -0.314 29.332 29.700 -0.090 0.000 0.740 266 E HN 0.628 nan 8.360 nan 0.000 0.454 267 Q N -0.397 119.323 119.800 -0.133 0.000 2.170 267 Q HA -0.093 4.247 4.340 0.000 0.000 0.203 267 Q C 2.107 178.088 176.000 -0.031 0.000 0.976 267 Q CA 0.915 56.673 55.803 -0.074 0.000 0.858 267 Q CB -0.052 28.650 28.738 -0.060 0.000 0.907 267 Q HN 0.336 nan 8.270 nan 0.000 0.433 268 L N 0.149 121.284 121.223 -0.148 0.000 2.209 268 L HA -0.079 4.261 4.340 0.000 0.000 0.207 268 L C 2.138 178.914 176.870 -0.157 0.000 1.094 268 L CA 0.599 55.370 54.840 -0.115 0.000 0.790 268 L CB -0.260 41.660 42.059 -0.231 0.000 0.932 268 L HN 0.068 nan 8.230 nan 0.000 0.447 269 K N 0.452 120.603 120.400 -0.415 0.000 2.107 269 K HA -0.196 4.124 4.320 0.000 0.000 0.211 269 K C -0.587 175.879 176.600 -0.222 0.000 1.049 269 K CA 1.803 57.850 56.287 -0.399 0.000 0.927 269 K CB -1.198 31.051 32.500 -0.420 0.000 0.714 269 K HN 0.319 nan 8.250 nan 0.000 0.452 270 P HA -0.151 nan 4.420 nan 0.000 0.228 270 P C 0.463 177.519 177.300 -0.408 0.000 1.151 270 P CA 1.362 64.266 63.100 -0.326 0.000 0.770 270 P CB -0.023 31.427 31.700 -0.417 0.000 0.786 271 Y N -0.057 120.168 120.300 -0.125 0.000 2.458 271 Y HA 0.240 4.790 4.550 -0.000 0.000 0.254 271 Y C 1.708 177.564 175.900 -0.074 0.000 1.120 271 Y CA -0.417 57.628 58.100 -0.092 0.000 1.282 271 Y CB -0.013 38.400 38.460 -0.078 0.000 1.109 271 Y HN -0.053 nan 8.280 nan 0.000 0.526 272 I N -3.270 117.313 120.570 0.022 0.000 3.170 272 I HA 0.613 4.784 4.170 0.000 0.000 0.312 272 I C -1.233 174.897 176.117 0.021 0.000 1.085 272 I CA -1.275 60.039 61.300 0.022 0.000 0.999 272 I CB 2.352 40.303 38.000 -0.082 0.000 1.233 272 I HN -0.298 nan 8.210 nan 0.000 0.467 273 D N 1.967 122.431 120.400 0.107 0.000 2.469 273 D HA 0.236 4.876 4.640 0.000 0.000 0.251 273 D C -0.710 175.720 176.300 0.217 0.000 1.173 273 D CA -0.392 53.677 54.000 0.115 0.000 0.882 273 D CB 1.305 42.162 40.800 0.095 0.000 1.129 273 D HN 0.697 nan 8.370 nan 0.000 0.549 274 D N 1.430 121.963 120.400 0.221 0.000 2.440 274 D HA 0.031 4.671 4.640 0.000 0.000 0.216 274 D C 0.663 177.077 176.300 0.190 0.000 1.150 274 D CA -0.190 54.000 54.000 0.317 0.000 0.832 274 D CB -0.218 40.850 40.800 0.446 0.000 0.992 274 D HN 0.318 nan 8.370 nan 0.000 0.502 278 T N -3.301 111.224 114.554 -0.048 0.000 2.813 278 T HA 0.130 4.480 4.350 0.000 0.000 0.297 278 T C 0.688 175.356 174.700 -0.053 0.000 1.036 278 T CA -0.438 61.640 62.100 -0.038 0.000 1.044 278 T CB 1.090 69.934 68.868 -0.041 0.000 0.993 278 T HN 0.529 nan 8.240 nan 0.000 0.535 279 D N 0.371 120.754 120.400 -0.029 0.000 2.178 279 D HA -0.076 4.564 4.640 0.000 0.000 0.201 279 D C 2.161 178.424 176.300 -0.060 0.000 0.980 279 D CA 0.679 54.664 54.000 -0.025 0.000 0.842 279 D CB -0.327 40.474 40.800 0.002 0.000 0.948 279 D HN 0.402 nan 8.370 nan 0.000 0.472 280 V N 0.725 120.600 119.914 -0.064 0.000 2.453 280 V HA -0.207 3.913 4.120 0.000 0.000 0.247 280 V C 2.412 178.427 176.094 -0.131 0.000 1.048 280 V CA 1.359 63.612 62.300 -0.078 0.000 1.049 280 V CB -0.451 31.336 31.823 -0.059 0.000 0.672 280 V HN 0.185 nan 8.190 nan 0.000 0.457 281 Q N -0.252 119.457 119.800 -0.152 0.000 2.119 281 Q HA -0.166 4.174 4.340 0.000 0.000 0.201 281 Q C 2.508 178.288 176.000 -0.368 0.000 0.972 281 Q CA 1.385 57.056 55.803 -0.220 0.000 0.847 281 Q CB -0.201 28.421 28.738 -0.193 0.000 0.903 281 Q HN 0.583 nan 8.270 nan 0.000 0.433 282 R N 0.647 120.912 120.500 -0.392 0.000 2.081 282 R HA -0.157 4.184 4.340 0.000 0.000 0.235 282 R C 2.229 178.083 176.300 -0.743 0.000 1.131 282 R CA 1.302 56.949 56.100 -0.754 0.000 0.960 282 R CB -0.219 29.812 30.300 -0.448 0.000 0.856 282 R HN 0.349 nan 8.270 nan 0.000 0.436 283 E N 0.242 120.265 120.200 -0.294 0.000 2.118 283 E HA -0.173 4.177 4.350 0.000 0.000 0.195 283 E C 1.362 177.857 176.600 -0.175 0.000 0.992 283 E CA 1.672 57.997 56.400 -0.125 0.000 0.804 283 E CB 0.132 29.797 29.700 -0.059 0.000 0.741 283 E HN 0.251 nan 8.360 nan 0.000 0.458 284 T N 1.211 115.623 114.554 -0.237 0.000 2.746 284 T HA -0.109 4.241 4.350 0.000 0.000 0.267 284 T C 1.943 176.461 174.700 -0.303 0.000 1.039 284 T CA 1.298 63.273 62.100 -0.209 0.000 1.142 284 T CB -0.140 68.616 68.868 -0.187 0.000 0.866 284 T HN 0.180 nan 8.240 nan 0.000 0.444 285 I N 0.317 120.541 120.570 -0.576 0.000 2.163 285 I HA -0.108 4.062 4.170 0.000 0.000 0.240 285 I C 2.033 177.724 176.117 -0.709 0.000 1.081 285 I CA 1.303 62.025 61.300 -0.963 0.000 1.353 285 I CB -0.407 36.757 38.000 -1.393 0.000 1.054 285 I HN 0.140 nan 8.210 nan 0.000 0.407 286 F N 1.422 121.108 119.950 -0.440 0.000 2.333 286 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 286 F C 2.905 178.655 175.800 -0.083 0.000 1.083 286 F CA 1.106 58.970 58.000 -0.226 0.000 1.395 286 F CB -1.670 37.240 39.000 -0.149 0.000 1.056 286 F HN 0.174 nan 8.300 nan 0.000 0.529 287 S N 0.240 115.976 115.700 0.060 0.000 2.500 287 S HA -0.136 4.334 4.470 0.000 0.000 0.239 287 S C 1.639 176.291 174.600 0.087 0.000 0.989 287 S CA 0.590 58.830 58.200 0.066 0.000 0.951 287 S CB -0.541 62.670 63.200 0.018 0.000 0.759 287 S HN 0.483 nan 8.310 nan 0.000 0.523 288 R N -0.849 119.697 120.500 0.077 0.000 2.362 288 R HA 0.271 4.611 4.340 0.000 0.000 0.227 288 R C -0.835 175.652 176.300 0.312 0.000 0.905 288 R CA -0.225 55.957 56.100 0.137 0.000 1.067 288 R CB 0.286 30.663 30.300 0.129 0.000 1.078 288 R HN 0.373 nan 8.270 nan 0.000 0.516 289 W N 1.439 122.842 121.300 0.171 0.000 2.844 289 W HA 0.408 5.067 4.660 -0.000 0.000 0.340 289 W C -2.390 174.174 176.519 0.075 0.000 1.093 289 W CA -3.385 54.045 57.345 0.141 0.000 1.212 289 W CB 0.389 29.943 29.460 0.158 0.000 1.422 289 W HN -0.225 nan 8.180 nan 0.000 0.515 290 P HA 0.590 nan 4.420 nan 0.000 0.275 290 P C -0.072 177.377 177.300 0.248 0.000 1.228 290 P CA 0.267 63.471 63.100 0.173 0.000 0.786 290 P CB 1.016 32.748 31.700 0.052 0.000 0.927 291 G N 1.640 110.602 108.800 0.270 0.000 2.328 291 G HA2 0.286 4.246 3.960 0.000 0.000 0.295 291 G HA3 0.286 4.246 3.960 0.000 0.000 0.295 291 G C -3.121 171.935 174.900 0.260 0.000 1.413 291 G CA -0.790 44.465 45.100 0.259 0.000 0.817 291 G HN 0.309 nan 8.290 nan 0.000 0.546 292 P HA 0.365 nan 4.420 nan 0.000 0.225 292 P C -0.546 176.840 177.300 0.143 0.000 1.768 292 P CA -0.039 63.145 63.100 0.141 0.000 0.943 292 P CB 0.191 31.945 31.700 0.090 0.000 1.936 293 V N 0.395 120.456 119.914 0.245 0.000 2.623 293 V HA 0.310 4.430 4.120 0.000 0.000 0.304 293 V C 0.214 176.463 176.094 0.258 0.000 1.054 293 V CA -0.345 62.032 62.300 0.128 0.000 0.882 293 V CB 2.219 34.061 31.823 0.032 0.000 1.002 293 V HN 0.066 nan 8.190 nan 0.000 0.424 294 T N 5.203 119.782 114.554 0.041 0.000 2.795 294 T HA 0.702 5.052 4.350 0.000 0.000 0.282 294 T C -0.743 173.908 174.700 -0.081 0.000 0.980 294 T CA -0.026 62.168 62.100 0.157 0.000 1.012 294 T CB 0.674 69.600 68.868 0.097 0.000 0.936 294 T HN 0.326 nan 8.240 nan 0.000 0.457 295 F N 1.485 121.610 119.950 0.293 0.000 2.495 295 F HA 0.516 5.043 4.527 0.000 0.000 0.327 295 F C 0.023 175.888 175.800 0.109 0.000 1.103 295 F CA -1.031 57.023 58.000 0.090 0.000 0.949 295 F CB 1.583 40.592 39.000 0.016 0.000 1.142 295 F HN 0.182 nan 8.300 nan 0.000 0.457 296 V N 4.668 124.564 119.914 -0.030 0.000 2.406 296 V HA 0.293 4.413 4.120 0.000 0.000 0.272 296 V C -0.446 175.590 176.094 -0.096 0.000 1.043 296 V CA -0.505 61.691 62.300 -0.174 0.000 0.915 296 V CB 0.491 31.826 31.823 -0.814 0.000 0.988 296 V HN 0.510 nan 8.190 nan 0.000 0.466 297 F N 5.564 125.522 119.950 0.013 0.000 2.538 297 F HA 0.571 5.098 4.527 -0.000 0.000 0.325 297 F C -2.051 173.774 175.800 0.042 0.000 1.066 297 F CA -2.499 55.535 58.000 0.056 0.000 0.946 297 F CB 2.107 41.186 39.000 0.131 0.000 1.199 297 F HN 0.322 nan 8.300 nan 0.000 0.473 298 P HA 0.255 nan 4.420 nan 0.000 0.271 298 P C -1.454 175.954 177.300 0.179 0.000 1.233 298 P CA -0.118 63.078 63.100 0.161 0.000 0.789 298 P CB 0.699 32.477 31.700 0.129 0.000 0.951 299 A N 2.236 125.135 122.820 0.131 0.000 2.393 299 A HA 0.694 5.014 4.320 0.000 0.000 0.306 299 A C -2.693 174.930 177.584 0.065 0.000 1.050 299 A CA -1.775 50.324 52.037 0.105 0.000 0.724 299 A CB 0.522 19.585 19.000 0.106 0.000 1.248 299 A HN 0.315 nan 8.150 nan 0.000 0.424 300 P HA 0.265 nan 4.420 nan 0.000 0.270 300 P C 0.875 178.174 177.300 -0.001 0.000 1.223 300 P CA 0.323 63.429 63.100 0.011 0.000 0.785 300 P CB 0.754 32.444 31.700 -0.016 0.000 0.923 301 A N 1.461 124.278 122.820 -0.006 0.000 2.172 301 A HA -0.116 4.204 4.320 0.000 0.000 0.216 301 A C 1.779 179.336 177.584 -0.045 0.000 1.154 301 A CA 1.864 53.890 52.037 -0.017 0.000 0.701 301 A CB -1.615 17.378 19.000 -0.010 0.000 0.789 301 A HN 0.659 nan 8.150 nan 0.000 0.465 302 T N -3.042 111.480 114.554 -0.053 0.000 2.995 302 T HA 0.003 4.353 4.350 0.000 0.000 0.269 302 T C 0.902 175.533 174.700 -0.115 0.000 1.091 302 T CA 1.101 63.153 62.100 -0.079 0.000 1.128 302 T CB -0.731 68.088 68.868 -0.081 0.000 0.891 302 T HN 0.238 nan 8.240 nan 0.000 0.492 303 T N 4.470 118.967 114.554 -0.095 0.000 2.853 303 T HA 0.283 4.633 4.350 0.000 0.000 0.298 303 T C -2.481 172.089 174.700 -0.217 0.000 0.978 303 T CA -0.874 61.165 62.100 -0.102 0.000 1.152 303 T CB 0.739 69.605 68.868 -0.003 0.000 0.914 303 T HN 0.184 nan 8.240 nan 0.000 0.539 304 P HA 0.042 nan 4.420 nan 0.000 0.261 304 P C 0.633 177.566 177.300 -0.612 0.000 1.173 304 P CA -0.266 62.302 63.100 -0.886 0.000 0.760 304 P CB 0.504 31.107 31.700 -1.830 0.000 0.783 305 R N 2.830 123.094 120.500 -0.393 0.000 2.285 305 R HA -0.097 4.243 4.340 0.000 0.000 0.213 305 R C 1.454 177.763 176.300 0.016 0.000 1.068 305 R CA 0.875 56.905 56.100 -0.116 0.000 1.004 305 R CB -1.161 29.128 30.300 -0.018 0.000 0.873 305 R HN 0.715 nan 8.270 nan 0.000 0.467 306 W N -0.852 120.487 121.300 0.065 0.000 2.937 306 W HA 0.195 4.855 4.660 0.001 0.000 0.245 306 W C 0.978 177.542 176.519 0.075 0.000 1.306 306 W CA -0.066 57.318 57.345 0.064 0.000 1.470 306 W CB -0.512 28.982 29.460 0.058 0.000 1.132 306 W HN -0.093 nan 8.180 nan 0.000 0.675 307 L N 0.738 121.979 121.223 0.029 0.000 2.362 307 L HA 0.031 4.371 4.340 0.000 0.000 0.204 307 L C 2.754 179.680 176.870 0.093 0.000 1.060 307 L CA 1.458 56.344 54.840 0.077 0.000 0.827 307 L CB -1.057 40.992 42.059 -0.016 0.000 1.027 307 L HN 0.101 nan 8.230 nan 0.000 0.474 308 T N -2.420 112.171 114.554 0.061 0.000 2.985 308 T HA 0.221 4.571 4.350 0.000 0.000 0.266 308 T C 1.286 176.114 174.700 0.213 0.000 1.076 308 T CA 0.557 62.738 62.100 0.135 0.000 1.135 308 T CB -0.152 68.775 68.868 0.100 0.000 0.890 308 T HN 0.479 nan 8.240 nan 0.000 0.480 309 G N 2.916 111.802 108.800 0.143 0.000 2.539 309 G HA2 -0.343 3.617 3.960 0.000 0.000 0.256 309 G HA3 -0.343 3.617 3.960 0.000 0.000 0.256 309 G C 0.450 175.327 174.900 -0.037 0.000 1.233 309 G CA 0.098 45.263 45.100 0.108 0.000 0.936 309 G HN 0.869 nan 8.290 nan 0.000 0.571 310 R N -0.076 120.241 120.500 -0.304 0.000 2.346 310 R HA 0.460 4.800 4.340 0.000 0.000 0.225 310 R C 0.084 176.022 176.300 -0.603 0.000 0.987 310 R CA 0.159 55.984 56.100 -0.457 0.000 1.106 310 R CB -0.293 29.689 30.300 -0.530 0.000 1.090 310 R HN 0.252 nan 8.270 nan 0.000 0.502 311 F N -0.048 119.943 119.950 0.067 0.000 2.541 311 F HA 0.315 4.842 4.527 0.000 0.000 0.331 311 F C 0.528 176.364 175.800 0.060 0.000 1.057 311 F CA -1.376 56.669 58.000 0.075 0.000 0.975 311 F CB 1.280 40.343 39.000 0.106 0.000 1.246 311 F HN -0.150 nan 8.300 nan 0.000 0.484 312 D N 0.640 121.200 120.400 0.268 0.000 2.722 312 D HA 0.192 4.832 4.640 0.000 0.000 0.239 312 D C -0.558 175.843 176.300 0.168 0.000 1.249 312 D CA 0.186 54.284 54.000 0.162 0.000 0.830 312 D CB 0.174 41.046 40.800 0.120 0.000 1.025 312 D HN 0.473 nan 8.370 nan 0.000 0.486 313 S N -0.703 115.118 115.700 0.202 0.000 2.671 313 S HA 0.775 5.245 4.470 0.000 0.000 0.277 313 S C -1.204 173.476 174.600 0.133 0.000 1.165 313 S CA -0.980 57.307 58.200 0.145 0.000 0.822 313 S CB 2.466 65.717 63.200 0.084 0.000 1.150 313 S HN 0.020 nan 8.310 nan 0.000 0.479 314 L N 0.730 122.021 121.223 0.113 0.000 2.526 314 L HA 0.802 5.142 4.340 0.000 0.000 0.263 314 L C -0.641 176.297 176.870 0.113 0.000 0.943 314 L CA -0.343 54.560 54.840 0.106 0.000 0.859 314 L CB 1.689 43.819 42.059 0.119 0.000 1.313 314 L HN 1.201 nan 8.230 nan 0.000 0.406 315 A N 4.522 127.376 122.820 0.058 0.000 2.362 315 A HA 0.678 4.999 4.320 0.000 0.000 0.276 315 A C -0.420 177.257 177.584 0.154 0.000 1.153 315 A CA 0.217 52.299 52.037 0.074 0.000 0.813 315 A CB 0.241 19.242 19.000 0.002 0.000 1.081 315 A HN 1.362 nan 8.150 nan 0.000 0.507 316 V N 0.542 120.632 119.914 0.293 0.000 3.078 316 V HA 0.935 5.055 4.120 0.000 0.000 0.311 316 V C -0.528 175.800 176.094 0.390 0.000 1.138 316 V CA -1.089 61.365 62.300 0.256 0.000 1.007 316 V CB 1.920 33.863 31.823 0.200 0.000 1.045 316 V HN 1.056 nan 8.190 nan 0.000 0.432 317 R N 1.178 121.759 120.500 0.135 0.000 2.584 317 R HA 0.734 5.074 4.340 0.000 0.000 0.276 317 R C -2.201 173.855 176.300 -0.407 0.000 1.046 317 R CA -0.553 55.570 56.100 0.038 0.000 0.906 317 R CB 2.565 32.952 30.300 0.145 0.000 1.215 317 R HN 0.759 nan 8.270 nan 0.000 0.449 318 V N 3.397 122.705 119.914 -1.011 0.000 2.318 318 V HA 0.235 4.355 4.120 0.000 0.000 0.271 318 V C 0.483 176.336 176.094 -0.402 0.000 1.030 318 V CA -0.293 61.538 62.300 -0.782 0.000 0.844 318 V CB 1.243 32.445 31.823 -1.035 0.000 1.015 318 V HN 0.771 nan 8.190 nan 0.000 0.460 319 T N 2.287 116.729 114.554 -0.186 0.000 2.899 319 T HA 0.277 4.627 4.350 0.000 0.000 0.284 319 T C 0.648 175.337 174.700 -0.019 0.000 1.004 319 T CA -0.300 61.771 62.100 -0.049 0.000 1.043 319 T CB 1.106 69.973 68.868 -0.001 0.000 1.013 319 T HN 0.891 nan 8.240 nan 0.000 0.518 320 D N 0.240 120.663 120.400 0.038 0.000 2.431 320 D HA 0.079 4.719 4.640 0.000 0.000 0.213 320 D C 0.261 176.584 176.300 0.038 0.000 1.130 320 D CA -0.273 53.745 54.000 0.030 0.000 0.834 320 D CB -0.567 40.259 40.800 0.044 0.000 0.985 320 D HN 0.566 nan 8.370 nan 0.000 0.504 321 H N 1.431 120.488 119.070 -0.021 0.000 3.091 321 H HA 0.135 4.691 4.556 0.000 0.000 0.289 321 H C -1.527 173.777 175.328 -0.040 0.000 0.995 321 H CA -1.149 54.883 56.048 -0.027 0.000 1.461 321 H CB 1.000 30.743 29.762 -0.031 0.000 1.510 321 H HN -0.178 nan 8.280 nan 0.000 0.546 322 P HA -0.292 nan 4.420 nan 0.000 0.217 322 P C 1.928 179.090 177.300 -0.230 0.000 1.162 322 P CA 1.022 63.961 63.100 -0.268 0.000 0.901 322 P CB 0.184 31.724 31.700 -0.266 0.000 0.793 323 L N -0.198 120.830 121.223 -0.326 0.000 1.989 323 L HA -0.137 4.203 4.340 0.000 0.000 0.211 323 L C 2.060 178.899 176.870 -0.051 0.000 1.071 323 L CA 2.244 57.015 54.840 -0.116 0.000 0.749 323 L CB -1.301 40.748 42.059 -0.017 0.000 0.890 323 L HN -0.103 nan 8.230 nan 0.000 0.431 324 V N -0.350 119.590 119.914 0.043 0.000 2.407 324 V HA -0.241 3.879 4.120 0.000 0.000 0.248 324 V C 2.801 178.844 176.094 -0.083 0.000 1.055 324 V CA 1.396 63.661 62.300 -0.058 0.000 1.049 324 V CB -0.449 31.371 31.823 -0.004 0.000 0.662 324 V HN 0.307 nan 8.190 nan 0.000 0.455 325 V N 0.330 120.209 119.914 -0.059 0.000 2.343 325 V HA -0.270 3.850 4.120 0.000 0.000 0.247 325 V C 2.696 178.752 176.094 -0.064 0.000 1.051 325 V CA 2.106 64.368 62.300 -0.064 0.000 1.036 325 V CB -1.046 30.741 31.823 -0.060 0.000 0.654 325 V HN 0.569 nan 8.190 nan 0.000 0.451 326 A N -0.339 122.441 122.820 -0.068 0.000 1.898 326 A HA -0.175 4.145 4.320 0.000 0.000 0.216 326 A C 2.144 179.696 177.584 -0.054 0.000 1.181 326 A CA 1.996 53.999 52.037 -0.057 0.000 0.620 326 A CB -0.554 18.411 19.000 -0.058 0.000 0.819 326 A HN 0.445 nan 8.150 nan 0.000 0.442 327 L N -0.086 121.089 121.223 -0.080 0.000 1.994 327 L HA -0.170 4.170 4.340 0.000 0.000 0.208 327 L C 2.475 179.317 176.870 -0.048 0.000 1.071 327 L CA 2.316 57.098 54.840 -0.096 0.000 0.745 327 L CB -1.046 40.893 42.059 -0.200 0.000 0.892 327 L HN 0.453 nan 8.230 nan 0.000 0.431 328 C N -0.561 118.704 119.300 -0.059 0.000 2.425 328 C HA -0.160 4.300 4.460 0.000 0.000 0.277 328 C C 2.713 177.714 174.990 0.018 0.000 1.280 328 C CA 0.899 59.919 59.018 0.003 0.000 1.744 328 C CB -0.970 26.746 27.740 -0.040 0.000 1.989 328 C HN 0.623 nan 8.230 nan 0.000 0.491 329 Q N 0.442 120.233 119.800 -0.014 0.000 2.124 329 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 329 Q C 2.430 178.429 176.000 -0.002 0.000 0.977 329 Q CA 1.825 57.617 55.803 -0.018 0.000 0.850 329 Q CB -0.247 28.474 28.738 -0.028 0.000 0.901 329 Q HN 0.771 nan 8.270 nan 0.000 0.429 330 A N -0.370 122.459 122.820 0.015 0.000 1.935 330 A HA -0.145 4.175 4.320 0.000 0.000 0.214 330 A C 1.781 179.413 177.584 0.081 0.000 1.178 330 A CA 0.713 52.767 52.037 0.030 0.000 0.640 330 A CB -0.544 18.468 19.000 0.020 0.000 0.825 330 A HN 0.455 nan 8.150 nan 0.000 0.447 331 Y N 0.394 120.663 120.300 -0.052 0.000 2.293 331 Y HA 0.162 4.712 4.550 0.000 0.000 0.291 331 Y C 1.753 177.634 175.900 -0.032 0.000 1.137 331 Y CA 1.084 59.157 58.100 -0.044 0.000 1.202 331 Y CB -0.330 38.095 38.460 -0.058 0.000 0.990 331 Y HN 0.513 nan 8.280 nan 0.000 0.537 332 G N 0.275 109.039 108.800 -0.059 0.000 2.157 332 G HA2 -0.247 3.713 3.960 0.000 0.000 0.239 332 G HA3 -0.247 3.713 3.960 0.000 0.000 0.239 332 G C 0.099 174.900 174.900 -0.164 0.000 0.982 332 G CA 0.371 45.389 45.100 -0.138 0.000 0.650 332 G HN 0.646 nan 8.290 nan 0.000 0.527 333 K N -1.914 118.407 120.400 -0.131 0.000 2.680 333 K HA 0.652 4.972 4.320 0.000 0.000 0.295 333 K C -3.526 173.112 176.600 0.063 0.000 1.052 333 K CA -1.824 54.431 56.287 -0.053 0.000 0.863 333 K CB 0.952 33.387 32.500 -0.109 0.000 1.549 333 K HN -0.018 nan 8.250 nan 0.000 0.391 334 P HA 0.285 nan 4.420 nan 0.000 0.274 334 P C -0.889 176.441 177.300 0.050 0.000 1.256 334 P CA -0.578 62.512 63.100 -0.016 0.000 0.795 334 P CB 0.473 32.080 31.700 -0.154 0.000 1.038 335 L N 0.075 121.295 121.223 -0.005 0.000 2.362 335 L HA 0.411 4.751 4.340 0.000 0.000 0.271 335 L C -0.230 176.646 176.870 0.009 0.000 1.002 335 L CA -1.337 53.508 54.840 0.010 0.000 0.818 335 L CB 2.021 44.039 42.059 -0.068 0.000 1.298 335 L HN 0.035 nan 8.230 nan 0.000 0.420 336 V N 1.681 121.621 119.914 0.044 0.000 2.637 336 V HA 0.178 4.298 4.120 0.000 0.000 0.296 336 V C 0.280 176.434 176.094 0.100 0.000 1.046 336 V CA 0.425 62.760 62.300 0.057 0.000 1.066 336 V CB 1.446 33.323 31.823 0.090 0.000 0.968 336 V HN 0.769 nan 8.190 nan 0.000 0.483 337 S N 3.051 118.808 115.700 0.095 0.000 2.619 337 S HA 0.662 5.132 4.470 0.000 0.000 0.280 337 S C -0.646 173.999 174.600 0.075 0.000 1.150 337 S CA -0.338 57.937 58.200 0.125 0.000 0.978 337 S CB 1.718 65.016 63.200 0.163 0.000 1.041 337 S HN 0.965 nan 8.310 nan 0.000 0.485 338 T N 1.682 116.262 114.554 0.044 0.000 2.841 338 T HA 0.634 4.984 4.350 0.000 0.000 0.296 338 T C -0.559 174.140 174.700 -0.001 0.000 1.166 338 T CA -0.378 61.742 62.100 0.034 0.000 1.007 338 T CB 1.315 70.215 68.868 0.053 0.000 1.253 338 T HN 0.850 nan 8.240 nan 0.000 0.511 339 S N 1.666 117.375 115.700 0.015 0.000 2.549 339 S HA 0.472 4.942 4.470 0.000 0.000 0.286 339 S C 0.538 175.155 174.600 0.029 0.000 1.314 339 S CA -0.347 57.860 58.200 0.011 0.000 1.062 339 S CB 0.483 63.701 63.200 0.029 0.000 0.865 339 S HN 1.064 nan 8.310 nan 0.000 0.498 340 A N 4.065 126.895 122.820 0.017 0.000 2.785 340 A HA 0.377 4.697 4.320 0.000 0.000 0.294 340 A C 0.575 178.324 177.584 0.274 0.000 1.597 340 A CA -0.701 51.368 52.037 0.052 0.000 1.283 340 A CB -1.194 17.773 19.000 -0.055 0.000 1.088 340 A HN 0.957 nan 8.150 nan 0.000 0.568 341 N N 2.113 121.020 118.700 0.345 0.000 2.636 341 N HA 0.283 5.023 4.740 0.000 0.000 0.261 341 N C -1.342 174.159 175.510 -0.014 0.000 1.195 341 N CA -0.778 52.356 53.050 0.140 0.000 0.902 341 N CB 0.793 39.304 38.487 0.041 0.000 1.627 341 N HN 0.249 nan 8.380 nan 0.000 0.491 342 L N 0.710 121.746 121.223 -0.311 0.000 2.464 342 L HA 0.199 4.539 4.340 0.000 0.000 0.264 342 L C 1.420 178.210 176.870 -0.133 0.000 1.199 342 L CA -0.450 54.216 54.840 -0.291 0.000 0.818 342 L CB 0.823 42.635 42.059 -0.411 0.000 1.102 342 L HN 0.705 nan 8.230 nan 0.000 0.473 343 S N 0.772 116.418 115.700 -0.090 0.000 2.563 343 S HA 0.163 4.633 4.470 0.000 0.000 0.294 343 S C 1.097 175.662 174.600 -0.058 0.000 1.279 343 S CA 0.513 58.683 58.200 -0.050 0.000 1.069 343 S CB -0.041 63.138 63.200 -0.035 0.000 0.828 343 S HN 0.986 nan 8.310 nan 0.000 0.497 344 G N 3.276 112.053 108.800 -0.038 0.000 2.168 344 G HA2 -0.215 3.745 3.960 0.000 0.000 0.263 344 G HA3 -0.215 3.745 3.960 0.000 0.000 0.263 344 G C -0.025 174.846 174.900 -0.048 0.000 0.977 344 G CA 0.629 45.706 45.100 -0.037 0.000 0.659 344 G HN 0.716 nan 8.290 nan 0.000 0.533 345 L N 1.250 122.436 121.223 -0.061 0.000 2.322 345 L HA 0.592 4.932 4.340 0.000 0.000 0.269 345 L C -1.727 175.117 176.870 -0.042 0.000 1.012 345 L CA -2.432 52.368 54.840 -0.068 0.000 0.815 345 L CB 2.044 44.032 42.059 -0.117 0.000 1.295 345 L HN -0.065 nan 8.230 nan 0.000 0.438 346 P HA 0.295 nan 4.420 nan 0.000 0.281 346 P C -2.724 174.576 177.300 -0.000 0.000 1.249 346 P CA -1.823 61.270 63.100 -0.012 0.000 0.810 346 P CB 0.369 32.062 31.700 -0.012 0.000 1.008 347 P HA 0.022 nan 4.420 nan 0.000 0.267 347 P C -0.264 177.061 177.300 0.043 0.000 1.200 347 P CA 0.220 63.344 63.100 0.041 0.000 0.772 347 P CB 0.203 31.927 31.700 0.040 0.000 0.855 348 C N 2.800 122.138 119.300 0.063 0.000 2.463 348 C HA 0.299 4.759 4.460 0.000 0.000 0.380 348 C C 1.880 176.915 174.990 0.075 0.000 1.264 348 C CA -0.065 58.970 59.018 0.029 0.000 2.161 348 C CB -0.034 27.699 27.740 -0.012 0.000 2.515 348 C HN 0.710 nan 8.230 nan 0.000 0.565 349 R N 1.010 121.538 120.500 0.046 0.000 2.397 349 R HA 0.184 4.524 4.340 0.000 0.000 0.241 349 R C 0.279 176.669 176.300 0.150 0.000 0.914 349 R CA 0.373 56.560 56.100 0.146 0.000 1.071 349 R CB 0.215 30.570 30.300 0.092 0.000 1.116 349 R HN 0.804 nan 8.270 nan 0.000 0.524 350 T N -4.337 110.110 114.554 -0.178 0.000 2.816 350 T HA 0.263 4.613 4.350 0.000 0.000 0.299 350 T C 0.855 175.058 174.700 -0.828 0.000 1.230 350 T CA -0.699 61.185 62.100 -0.359 0.000 1.007 350 T CB 1.642 70.439 68.868 -0.118 0.000 1.289 350 T HN -0.216 nan 8.240 nan 0.000 0.508 351 V N 1.125 120.649 119.914 -0.651 0.000 2.343 351 V HA -0.135 3.986 4.120 0.000 0.000 0.247 351 V C 2.367 178.306 176.094 -0.259 0.000 1.051 351 V CA 2.226 64.243 62.300 -0.472 0.000 1.036 351 V CB -0.731 31.003 31.823 -0.148 0.000 0.654 351 V HN 0.895 nan 8.190 nan 0.000 0.451 352 D N -0.305 119.992 120.400 -0.171 0.000 2.144 352 D HA -0.153 4.487 4.640 0.000 0.000 0.199 352 D C 2.201 178.443 176.300 -0.097 0.000 0.984 352 D CA 1.192 55.134 54.000 -0.096 0.000 0.834 352 D CB -0.073 40.691 40.800 -0.061 0.000 0.955 352 D HN 0.579 nan 8.370 nan 0.000 0.465 353 E N 0.297 120.415 120.200 -0.136 0.000 2.107 353 E HA -0.079 4.271 4.350 0.000 0.000 0.191 353 E C 2.333 178.888 176.600 -0.076 0.000 0.982 353 E CA 0.324 56.664 56.400 -0.100 0.000 0.809 353 E CB 0.222 29.863 29.700 -0.099 0.000 0.756 353 E HN 0.070 nan 8.360 nan 0.000 0.459 354 V N 1.339 121.165 119.914 -0.147 0.000 2.343 354 V HA -0.264 3.856 4.120 0.000 0.000 0.247 354 V C 2.259 178.401 176.094 0.081 0.000 1.051 354 V CA 1.773 64.053 62.300 -0.032 0.000 1.036 354 V CB -0.428 31.265 31.823 -0.217 0.000 0.654 354 V HN 0.182 nan 8.190 nan 0.000 0.451 355 R N -0.027 120.480 120.500 0.010 0.000 2.096 355 R HA -0.102 4.238 4.340 0.000 0.000 0.235 355 R C 2.427 178.746 176.300 0.031 0.000 1.127 355 R CA 1.388 57.519 56.100 0.052 0.000 0.968 355 R CB -0.584 29.731 30.300 0.024 0.000 0.861 355 R HN 0.539 nan 8.270 nan 0.000 0.440 356 A N 0.924 123.739 122.820 -0.007 0.000 1.940 356 A HA -0.220 4.100 4.320 0.000 0.000 0.219 356 A C 1.963 179.509 177.584 -0.063 0.000 1.176 356 A CA 1.333 53.351 52.037 -0.031 0.000 0.631 356 A CB -0.245 18.730 19.000 -0.041 0.000 0.814 356 A HN 0.342 nan 8.150 nan 0.000 0.446 357 Q N -2.209 117.541 119.800 -0.084 0.000 2.165 357 Q HA 0.085 4.425 4.340 0.000 0.000 0.197 357 Q C 1.345 177.110 176.000 -0.392 0.000 0.952 357 Q CA 1.010 56.654 55.803 -0.264 0.000 0.848 357 Q CB -0.007 28.492 28.738 -0.399 0.000 0.931 357 Q HN 0.726 nan 8.270 nan 0.000 0.470 358 F N -0.103 119.709 119.950 -0.230 0.000 2.776 358 F HA 0.303 4.831 4.527 0.001 0.000 0.300 358 F C 0.919 176.659 175.800 -0.099 0.000 1.116 358 F CA 0.525 58.331 58.000 -0.325 0.000 1.375 358 F CB 0.912 39.389 39.000 -0.873 0.000 1.109 358 F HN 0.029 nan 8.300 nan 0.000 0.585 359 G N -0.070 108.802 108.800 0.119 0.000 2.640 359 G HA2 0.175 4.135 3.960 0.000 0.000 0.686 359 G HA3 0.175 4.135 3.960 0.000 0.000 0.686 359 G C 0.490 175.477 174.900 0.146 0.000 1.229 359 G CA -0.694 44.481 45.100 0.125 0.000 0.796 359 G HN 0.295 nan 8.290 nan 0.000 0.654 360 A N 0.566 123.440 122.820 0.090 0.000 2.019 360 A HA 0.352 4.672 4.320 0.000 0.000 0.219 360 A C 2.513 180.148 177.584 0.085 0.000 1.164 360 A CA 2.674 54.755 52.037 0.073 0.000 0.644 360 A CB -0.267 18.758 19.000 0.042 0.000 0.805 360 A HN 2.428 nan 8.150 nan 0.000 0.449 361 A N -1.891 120.988 122.820 0.099 0.000 2.345 361 A HA 0.458 4.778 4.320 0.000 0.000 0.225 361 A C 0.351 177.985 177.584 0.083 0.000 1.243 361 A CA -0.582 51.498 52.037 0.072 0.000 0.875 361 A CB -0.453 18.575 19.000 0.046 0.000 0.929 361 A HN 0.388 nan 8.150 nan 0.000 0.502 362 F N 1.728 121.692 119.950 0.023 0.000 2.543 362 F HA 0.360 4.887 4.527 -0.000 0.000 0.375 362 F C -2.223 173.566 175.800 -0.018 0.000 1.075 362 F CA -2.263 55.746 58.000 0.014 0.000 1.225 362 F CB 0.574 39.599 39.000 0.042 0.000 1.099 362 F HN -0.003 nan 8.300 nan 0.000 0.561 363 P HA 0.081 nan 4.420 nan 0.000 0.260 363 P C -1.148 176.045 177.300 -0.179 0.000 1.207 363 P CA 0.286 63.171 63.100 -0.358 0.000 0.780 363 P CB 0.713 32.150 31.700 -0.439 0.000 0.789 364 V N 5.453 125.364 119.914 -0.005 0.000 2.686 364 V HA 0.295 4.415 4.120 0.000 0.000 0.306 364 V C -0.638 175.534 176.094 0.129 0.000 1.065 364 V CA -0.936 61.427 62.300 0.104 0.000 0.894 364 V CB 2.423 34.327 31.823 0.135 0.000 1.004 364 V HN 0.074 nan 8.190 nan 0.000 0.424 365 V N 9.997 130.025 119.914 0.190 0.000 2.470 365 V HA 0.338 4.458 4.120 0.000 0.000 0.276 365 V C -1.698 174.541 176.094 0.241 0.000 1.040 365 V CA -1.005 61.398 62.300 0.172 0.000 1.008 365 V CB 1.077 32.997 31.823 0.162 0.000 0.990 365 V HN 0.868 nan 8.190 nan 0.000 0.477 366 P HA 0.500 nan 4.420 nan 0.000 0.272 366 P C 0.138 177.552 177.300 0.189 0.000 1.240 366 P CA 0.405 63.624 63.100 0.199 0.000 0.791 366 P CB 1.368 33.138 31.700 0.118 0.000 0.978 367 G N 0.066 109.000 108.800 0.223 0.000 2.369 367 G HA2 0.200 4.160 3.960 0.000 0.000 0.295 367 G HA3 0.200 4.160 3.960 0.000 0.000 0.295 367 G C -1.897 173.129 174.900 0.210 0.000 1.298 367 G CA -0.629 44.566 45.100 0.158 0.000 0.940 367 G HN 0.510 nan 8.290 nan 0.000 0.536 368 E N -0.100 120.185 120.200 0.142 0.000 2.227 368 E HA 0.705 5.056 4.350 0.000 0.000 0.268 368 E C 0.838 177.507 176.600 0.115 0.000 0.907 368 E CA 0.044 56.537 56.400 0.156 0.000 0.786 368 E CB 1.646 31.419 29.700 0.123 0.000 1.191 368 E HN 0.844 nan 8.360 nan 0.000 0.411 369 T N -1.076 113.525 114.554 0.077 0.000 2.726 369 T HA 0.244 4.594 4.350 0.000 0.000 0.294 369 T C 1.292 176.058 174.700 0.111 0.000 1.013 369 T CA -0.166 61.918 62.100 -0.027 0.000 0.996 369 T CB 0.851 69.712 68.868 -0.011 0.000 1.016 369 T HN 0.512 nan 8.240 nan 0.000 0.529 370 G N -1.067 107.784 108.800 0.085 0.000 2.598 370 G HA2 0.374 4.334 3.960 0.000 0.000 0.215 370 G HA3 0.374 4.334 3.960 0.000 0.000 0.215 370 G C 1.044 175.996 174.900 0.086 0.000 1.131 370 G CA 0.026 45.218 45.100 0.154 0.000 0.785 370 G HN 1.852 nan 8.290 nan 0.000 0.539 371 G N -0.309 108.527 108.800 0.061 0.000 2.422 371 G HA2 -0.210 3.750 3.960 0.000 0.000 0.290 371 G HA3 -0.210 3.750 3.960 0.000 0.000 0.290 371 G C -0.105 174.822 174.900 0.044 0.000 1.059 371 G CA 0.313 45.444 45.100 0.052 0.000 1.242 371 G HN 0.816 nan 8.290 nan 0.000 0.520 372 R N 0.769 121.291 120.500 0.036 0.000 2.502 372 R HA 0.616 4.956 4.340 0.000 0.000 0.300 372 R C 0.296 176.612 176.300 0.027 0.000 0.984 372 R CA -1.147 54.974 56.100 0.033 0.000 0.882 372 R CB 0.687 31.008 30.300 0.036 0.000 1.180 372 R HN 0.824 nan 8.270 nan 0.000 0.444 373 L N 1.240 122.478 121.223 0.025 0.000 3.030 373 L HA 0.620 4.960 4.340 0.000 0.000 0.252 373 L C -1.261 175.620 176.870 0.019 0.000 1.316 373 L CA -0.651 54.202 54.840 0.022 0.000 0.975 373 L CB 0.595 42.666 42.059 0.021 0.000 1.357 373 L HN 0.360 nan 8.230 nan 0.000 0.534 374 N N 2.366 121.078 118.700 0.020 0.000 2.392 374 N HA 0.554 5.294 4.740 0.000 0.000 0.283 374 N C -2.267 173.253 175.510 0.015 0.000 1.003 374 N CA -1.224 51.836 53.050 0.017 0.000 0.892 374 N CB 1.464 39.963 38.487 0.020 0.000 1.193 374 N HN 0.328 nan 8.380 nan 0.000 0.487 375 P HA 0.028 nan 4.420 nan 0.000 0.271 375 P C -0.544 176.762 177.300 0.010 0.000 1.233 375 P CA -0.102 63.004 63.100 0.010 0.000 0.795 375 P CB 0.451 32.155 31.700 0.007 0.000 0.936 376 S N 0.155 115.862 115.700 0.012 0.000 2.533 376 S HA 0.056 4.526 4.470 0.000 0.000 0.282 376 S C 0.329 174.929 174.600 -0.000 0.000 1.304 376 S CA -0.173 58.034 58.200 0.012 0.000 1.063 376 S CB 0.008 63.219 63.200 0.019 0.000 0.881 376 S HN 0.486 nan 8.310 nan 0.000 0.493 377 E N 3.130 123.322 120.200 -0.014 0.000 2.129 377 E HA 0.435 4.785 4.350 0.000 0.000 0.268 377 E C -1.219 175.327 176.600 -0.090 0.000 0.900 377 E CA -0.406 55.964 56.400 -0.049 0.000 0.755 377 E CB 0.562 30.225 29.700 -0.061 0.000 1.117 377 E HN 0.540 nan 8.360 nan 0.000 0.410 378 I N 4.631 125.154 120.570 -0.079 0.000 2.436 378 I HA 0.460 4.630 4.170 0.000 0.000 0.289 378 I C -0.026 176.017 176.117 -0.123 0.000 1.010 378 I CA -0.710 60.530 61.300 -0.100 0.000 1.098 378 I CB 1.669 39.679 38.000 0.018 0.000 1.266 378 I HN 0.372 nan 8.210 nan 0.000 0.434 379 R N 3.186 123.496 120.500 -0.316 0.000 2.854 379 R HA 0.359 4.699 4.340 0.000 0.000 0.271 379 R C -1.049 175.160 176.300 -0.153 0.000 0.996 379 R CA -0.977 54.972 56.100 -0.252 0.000 0.961 379 R CB 2.171 32.193 30.300 -0.463 0.000 1.182 379 R HN 0.511 nan 8.270 nan 0.000 0.479 380 D N 0.915 121.318 120.400 0.006 0.000 2.264 380 D HA 0.147 4.787 4.640 0.000 0.000 0.250 380 D C 0.530 176.810 176.300 -0.034 0.000 1.113 380 D CA 0.005 53.996 54.000 -0.014 0.000 0.871 380 D CB 1.905 42.784 40.800 0.132 0.000 1.167 380 D HN 0.621 nan 8.370 nan 0.000 0.447 381 A N 4.367 127.061 122.820 -0.210 0.000 1.969 381 A HA -0.104 4.216 4.320 0.000 0.000 0.218 381 A C 2.245 179.630 177.584 -0.332 0.000 1.169 381 A CA 0.893 52.651 52.037 -0.465 0.000 0.635 381 A CB -0.312 17.930 19.000 -1.262 0.000 0.810 381 A HN 0.728 nan 8.150 nan 0.000 0.445 382 L N -1.200 119.897 121.223 -0.209 0.000 2.240 382 L HA -0.048 4.292 4.340 0.000 0.000 0.211 382 L C 2.315 179.134 176.870 -0.086 0.000 1.106 382 L CA 1.410 56.172 54.840 -0.130 0.000 0.793 382 L CB -0.394 41.623 42.059 -0.070 0.000 0.927 382 L HN 0.347 nan 8.230 nan 0.000 0.446 383 T N -1.666 112.854 114.554 -0.058 0.000 3.111 383 T HA 0.278 4.628 4.350 0.000 0.000 0.236 383 T C 1.379 176.060 174.700 -0.032 0.000 0.984 383 T CA 0.781 62.861 62.100 -0.033 0.000 1.195 383 T CB 0.682 69.549 68.868 -0.002 0.000 0.929 383 T HN 0.390 nan 8.240 nan 0.000 0.431 384 G N 1.262 110.058 108.800 -0.008 0.000 2.211 384 G HA2 -0.157 3.803 3.960 0.000 0.000 0.201 384 G HA3 -0.157 3.803 3.960 0.000 0.000 0.201 384 G C -0.050 174.851 174.900 0.002 0.000 0.997 384 G CA -0.043 45.066 45.100 0.014 0.000 0.652 384 G HN 0.493 nan 8.290 nan 0.000 0.500 385 E N 0.888 121.091 120.200 0.004 0.000 2.373 385 E HA 0.554 4.904 4.350 0.000 0.000 0.267 385 E C 1.149 177.757 176.600 0.014 0.000 1.032 385 E CA -0.491 55.910 56.400 0.002 0.000 0.889 385 E CB 0.321 30.023 29.700 0.003 0.000 0.984 385 E HN 0.328 nan 8.360 nan 0.000 0.425 386 L N 4.547 125.766 121.223 -0.006 0.000 2.540 386 L HA -0.001 4.339 4.340 0.000 0.000 0.276 386 L C 0.610 177.511 176.870 0.052 0.000 1.212 386 L CA 0.120 54.961 54.840 0.001 0.000 0.893 386 L CB -0.005 42.043 42.059 -0.019 0.000 1.138 386 L HN 0.567 nan 8.230 nan 0.000 0.491 387 F N 0.000 119.893 119.950 -0.095 0.000 2.286 387 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 387 F CA 0.000 57.948 58.000 -0.087 0.000 1.383 387 F CB 0.000 38.941 39.000 -0.099 0.000 1.145 387 F HN 0.000 nan 8.300 nan 0.000 0.574