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 3os9_1_A DATA FIRST_RESID 307 DATA SEQUENCE ALSLTADQMV SALLDAEPPI LYSEYDPTRP FSEASMMGLL TNLADRELVH DATA SEQUENCE MINWAKRVPG FVDLTRHDQV HLLECAWLEI LMIGLVWRSM EHPGKLLFAP DATA SEQUENCE NLLLDRNQGK CVEGMVEIFD MLLATSSRFR MMNLQGEEFV CLKSIILLNS DATA SEQUENCE GVYTFXXSTL KSLEEKXHIH RVLDKITDTL IHLMAKAGLT LQQQHQRLAQ DATA SEQUENCE LLLILSHIRH MSNKGMEHLY SMXXXXVVPS YDLLLEMLDA 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 307 A HA 0.000 nan 4.320 nan 0.000 0.244 307 A C 0.000 177.578 177.584 -0.010 0.000 1.274 307 A CA 0.000 52.042 52.037 0.009 0.000 0.836 307 A CB 0.000 19.008 19.000 0.013 0.000 0.831 308 L N 0.375 121.597 121.223 -0.002 0.000 2.612 308 L HA 0.189 4.529 4.340 -0.001 0.000 0.230 308 L C 1.872 178.732 176.870 -0.017 0.000 1.140 308 L CA 1.126 55.955 54.840 -0.018 0.000 0.896 308 L CB 0.494 42.547 42.059 -0.010 0.000 1.065 308 L HN 0.417 nan 8.230 nan 0.000 0.447 309 S N -0.559 115.133 115.700 -0.014 0.000 2.540 309 S HA 0.279 4.748 4.470 -0.001 0.000 0.222 309 S C 0.813 175.399 174.600 -0.024 0.000 1.008 309 S CA -0.459 57.732 58.200 -0.016 0.000 0.939 309 S CB 0.290 63.484 63.200 -0.009 0.000 0.865 309 S HN 0.156 nan 8.310 nan 0.000 0.499 310 L N 3.062 124.268 121.223 -0.028 0.000 2.461 310 L HA 0.242 4.582 4.340 -0.001 0.000 0.272 310 L C 1.038 177.876 176.870 -0.053 0.000 1.197 310 L CA -0.329 54.489 54.840 -0.036 0.000 0.836 310 L CB 0.600 42.638 42.059 -0.036 0.000 1.105 310 L HN 0.274 nan 8.230 nan 0.000 0.477 311 T N -0.637 113.880 114.554 -0.062 0.000 2.882 311 T HA 0.322 4.671 4.350 -0.001 0.000 0.287 311 T C 1.195 175.818 174.700 -0.128 0.000 1.014 311 T CA -0.207 61.834 62.100 -0.099 0.000 1.049 311 T CB 1.595 70.405 68.868 -0.097 0.000 1.001 311 T HN 0.665 nan 8.240 nan 0.000 0.525 312 A N 1.775 124.465 122.820 -0.217 0.000 1.927 312 A HA -0.158 4.162 4.320 -0.001 0.000 0.220 312 A C 2.051 179.554 177.584 -0.136 0.000 1.185 312 A CA 2.027 53.932 52.037 -0.220 0.000 0.639 312 A CB -1.066 17.671 19.000 -0.439 0.000 0.820 312 A HN 0.934 nan 8.150 nan 0.000 0.451 313 D N -0.518 119.792 120.400 -0.149 0.000 2.117 313 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 313 D C 2.201 178.487 176.300 -0.024 0.000 0.987 313 D CA 1.602 55.581 54.000 -0.035 0.000 0.829 313 D CB -0.453 40.340 40.800 -0.012 0.000 0.961 313 D HN 0.675 nan 8.370 nan 0.000 0.460 314 Q N -0.495 119.281 119.800 -0.040 0.000 2.224 314 Q HA -0.099 4.241 4.340 -0.001 0.000 0.203 314 Q C 2.021 178.005 176.000 -0.026 0.000 0.970 314 Q CA 0.770 56.557 55.803 -0.027 0.000 0.865 314 Q CB -0.074 28.646 28.738 -0.030 0.000 0.922 314 Q HN 0.186 nan 8.270 nan 0.000 0.445 315 M N 0.148 119.726 119.600 -0.036 0.000 2.099 315 M HA -0.114 4.366 4.480 -0.001 0.000 0.262 315 M C 1.893 178.180 176.300 -0.022 0.000 1.067 315 M CA 1.397 56.677 55.300 -0.034 0.000 1.124 315 M CB -0.186 32.389 32.600 -0.042 0.000 1.353 315 M HN -0.017 nan 8.290 nan 0.000 0.410 316 V N -0.221 119.686 119.914 -0.011 0.000 2.287 316 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 316 V C 2.333 178.431 176.094 0.006 0.000 1.053 316 V CA 2.177 64.478 62.300 0.002 0.000 1.027 316 V CB -1.291 30.545 31.823 0.021 0.000 0.646 316 V HN 0.559 nan 8.190 nan 0.000 0.447 317 S N 0.384 116.088 115.700 0.007 0.000 2.359 317 S HA -0.210 4.260 4.470 -0.001 0.000 0.224 317 S C 2.243 176.849 174.600 0.010 0.000 1.035 317 S CA 1.510 59.718 58.200 0.012 0.000 1.018 317 S CB -0.642 62.564 63.200 0.010 0.000 0.876 317 S HN 0.664 nan 8.310 nan 0.000 0.448 318 A N 1.545 124.364 122.820 -0.001 0.000 1.908 318 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 318 A C 2.161 179.744 177.584 -0.003 0.000 1.181 318 A CA 1.282 53.315 52.037 -0.007 0.000 0.627 318 A CB -0.803 18.183 19.000 -0.023 0.000 0.818 318 A HN 0.449 nan 8.150 nan 0.000 0.445 319 L N -0.815 120.407 121.223 -0.002 0.000 2.017 319 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 319 L C 2.604 179.514 176.870 0.066 0.000 1.073 319 L CA 1.177 56.031 54.840 0.023 0.000 0.745 319 L CB -0.604 41.459 42.059 0.006 0.000 0.894 319 L HN 0.371 nan 8.230 nan 0.000 0.432 320 L N -0.402 120.847 121.223 0.044 0.000 2.079 320 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 320 L C 2.167 179.077 176.870 0.067 0.000 1.081 320 L CA 1.079 55.951 54.840 0.053 0.000 0.752 320 L CB -0.604 41.479 42.059 0.039 0.000 0.896 320 L HN 0.310 nan 8.230 nan 0.000 0.433 321 D N 0.029 120.463 120.400 0.056 0.000 2.219 321 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 321 D C 2.132 178.482 176.300 0.083 0.000 0.970 321 D CA 1.285 55.320 54.000 0.058 0.000 0.851 321 D CB 0.105 40.928 40.800 0.038 0.000 0.943 321 D HN 0.312 nan 8.370 nan 0.000 0.488 322 A N 0.711 123.596 122.820 0.108 0.000 2.119 322 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 322 A C 1.012 178.783 177.584 0.311 0.000 1.152 322 A CA 0.234 52.375 52.037 0.172 0.000 0.708 322 A CB -0.051 19.008 19.000 0.099 0.000 0.805 322 A HN -0.058 nan 8.150 nan 0.000 0.460 323 E N 1.214 121.551 120.200 0.228 0.000 2.708 323 E HA 0.051 4.400 4.350 -0.001 0.000 0.260 323 E C -2.253 174.407 176.600 0.101 0.000 0.937 323 E CA -0.730 55.754 56.400 0.139 0.000 0.953 323 E CB 0.043 29.795 29.700 0.086 0.000 0.915 323 E HN 0.292 nan 8.360 nan 0.000 0.487 324 P HA 0.223 nan 4.420 nan 0.000 0.276 324 P C -2.281 174.998 177.300 -0.036 0.000 1.244 324 P CA -1.112 61.995 63.100 0.012 0.000 0.801 324 P CB -0.056 31.621 31.700 -0.039 0.000 1.006 325 P HA 0.285 nan 4.420 nan 0.000 0.276 325 P C -0.472 176.752 177.300 -0.127 0.000 1.252 325 P CA -0.200 62.839 63.100 -0.101 0.000 0.802 325 P CB 0.768 32.387 31.700 -0.135 0.000 1.035 326 I N 1.312 121.827 120.570 -0.092 0.000 2.371 326 I HA 0.182 4.352 4.170 -0.001 0.000 0.290 326 I C 0.707 176.739 176.117 -0.141 0.000 1.028 326 I CA -0.485 60.741 61.300 -0.122 0.000 1.345 326 I CB 0.253 38.167 38.000 -0.143 0.000 1.407 326 I HN 0.093 nan 8.210 nan 0.000 0.501 327 L N 6.094 127.243 121.223 -0.123 0.000 2.387 327 L HA 0.439 4.779 4.340 -0.001 0.000 0.266 327 L C -0.808 176.014 176.870 -0.081 0.000 1.059 327 L CA -0.830 53.992 54.840 -0.030 0.000 0.801 327 L CB 0.878 42.949 42.059 0.019 0.000 1.223 327 L HN 0.372 nan 8.230 nan 0.000 0.456 328 Y N -0.239 120.087 120.300 0.043 0.000 2.387 328 Y HA 0.215 4.765 4.550 -0.001 0.000 0.330 328 Y C 0.704 176.650 175.900 0.078 0.000 1.133 328 Y CA -0.129 58.012 58.100 0.069 0.000 1.152 328 Y CB 1.858 40.373 38.460 0.092 0.000 1.215 328 Y HN 0.471 nan 8.280 nan 0.000 0.466 329 S N 1.613 117.443 115.700 0.217 0.000 2.562 329 S HA 0.058 4.528 4.470 -0.001 0.000 0.281 329 S C -0.112 174.601 174.600 0.189 0.000 1.333 329 S CA -0.636 57.656 58.200 0.154 0.000 1.052 329 S CB 0.123 63.385 63.200 0.103 0.000 0.884 329 S HN 0.680 nan 8.310 nan 0.000 0.506 330 E N 1.961 122.249 120.200 0.146 0.000 2.437 330 E HA 0.025 4.375 4.350 -0.001 0.000 0.263 330 E C -0.778 175.924 176.600 0.170 0.000 1.030 330 E CA 0.301 56.796 56.400 0.157 0.000 0.934 330 E CB 0.366 30.134 29.700 0.113 0.000 0.943 330 E HN 0.630 nan 8.360 nan 0.000 0.444 331 Y N 1.509 121.842 120.300 0.055 0.000 2.298 331 Y HA -0.040 4.509 4.550 -0.001 0.000 0.329 331 Y C 0.433 176.356 175.900 0.038 0.000 1.293 331 Y CA 0.145 58.272 58.100 0.044 0.000 1.388 331 Y CB 0.719 39.187 38.460 0.013 0.000 1.309 331 Y HN 0.565 nan 8.280 nan 0.000 0.544 332 D N 1.395 121.589 120.400 -0.344 0.000 2.692 332 D HA -0.173 4.467 4.640 -0.001 0.000 0.233 332 D C -2.439 173.817 176.300 -0.074 0.000 1.172 332 D CA 0.384 54.288 54.000 -0.159 0.000 0.636 332 D CB -1.014 39.836 40.800 0.085 0.000 1.028 332 D HN 0.287 nan 8.370 nan 0.000 0.419 333 P HA 0.165 nan 4.420 nan 0.000 0.274 333 P C -0.136 177.100 177.300 -0.107 0.000 1.231 333 P CA -0.284 62.803 63.100 -0.023 0.000 0.790 333 P CB 0.693 32.445 31.700 0.087 0.000 0.951 334 T N 3.440 117.940 114.554 -0.090 0.000 2.765 334 T HA 0.123 4.472 4.350 -0.001 0.000 0.284 334 T C 0.387 174.895 174.700 -0.319 0.000 0.946 334 T CA 0.176 62.188 62.100 -0.146 0.000 1.185 334 T CB -0.373 68.446 68.868 -0.082 0.000 0.887 334 T HN 0.204 nan 8.240 nan 0.000 0.532 335 R N 3.584 123.860 120.500 -0.373 0.000 2.589 335 R HA 0.454 4.794 4.340 -0.001 0.000 0.293 335 R C -1.975 174.149 176.300 -0.293 0.000 0.963 335 R CA -1.690 54.092 56.100 -0.531 0.000 0.905 335 R CB 0.843 30.817 30.300 -0.542 0.000 1.144 335 R HN 0.463 nan 8.270 nan 0.000 0.459 336 P HA 0.116 nan 4.420 nan 0.000 0.274 336 P C -0.764 176.324 177.300 -0.353 0.000 1.260 336 P CA -0.188 62.725 63.100 -0.312 0.000 0.793 336 P CB 0.360 31.987 31.700 -0.122 0.000 1.048 337 F N -0.806 119.120 119.950 -0.039 0.000 2.378 337 F HA 0.399 4.926 4.527 -0.001 0.000 0.325 337 F C 1.277 177.055 175.800 -0.037 0.000 1.097 337 F CA -0.227 57.748 58.000 -0.042 0.000 1.079 337 F CB 0.699 39.668 39.000 -0.052 0.000 1.240 337 F HN 0.216 nan 8.300 nan 0.000 0.519 338 S N -0.094 115.715 115.700 0.181 0.000 2.704 338 S HA 0.576 5.045 4.470 -0.001 0.000 0.305 338 S C 0.811 175.453 174.600 0.070 0.000 1.107 338 S CA -0.140 58.114 58.200 0.089 0.000 0.993 338 S CB 1.304 64.535 63.200 0.053 0.000 1.110 338 S HN 0.722 nan 8.310 nan 0.000 0.534 339 E N 0.953 121.171 120.200 0.030 0.000 2.070 339 E HA -0.095 4.254 4.350 -0.001 0.000 0.197 339 E C 2.221 178.820 176.600 -0.003 0.000 1.004 339 E CA 2.121 58.523 56.400 0.003 0.000 0.805 339 E CB -1.475 28.226 29.700 0.001 0.000 0.744 339 E HN 1.089 nan 8.360 nan 0.000 0.451 340 A N -0.037 122.790 122.820 0.012 0.000 2.066 340 A HA 0.105 4.425 4.320 -0.001 0.000 0.218 340 A C 2.554 180.148 177.584 0.017 0.000 1.157 340 A CA 1.851 53.894 52.037 0.010 0.000 0.670 340 A CB -0.414 18.595 19.000 0.014 0.000 0.804 340 A HN 0.480 nan 8.150 nan 0.000 0.453 341 S N -0.952 114.776 115.700 0.046 0.000 2.357 341 S HA -0.165 4.305 4.470 -0.001 0.000 0.221 341 S C 2.033 176.657 174.600 0.041 0.000 1.031 341 S CA 1.783 60.037 58.200 0.090 0.000 0.982 341 S CB -0.342 62.968 63.200 0.183 0.000 0.853 341 S HN 0.504 nan 8.310 nan 0.000 0.458 342 M N 2.031 121.604 119.600 -0.047 0.000 2.059 342 M HA -0.025 4.454 4.480 -0.001 0.000 0.259 342 M C 2.599 178.781 176.300 -0.197 0.000 1.072 342 M CA 2.824 57.961 55.300 -0.272 0.000 1.117 342 M CB -0.964 31.450 32.600 -0.309 0.000 1.320 342 M HN 0.448 nan 8.290 nan 0.000 0.408 343 M N -0.861 118.670 119.600 -0.115 0.000 2.144 343 M HA -0.014 4.465 4.480 -0.001 0.000 0.260 343 M C 2.357 178.623 176.300 -0.057 0.000 1.067 343 M CA 2.634 57.887 55.300 -0.078 0.000 1.095 343 M CB -2.797 29.781 32.600 -0.037 0.000 1.365 343 M HN 0.628 nan 8.290 nan 0.000 0.406 344 G N -0.212 108.565 108.800 -0.037 0.000 2.421 344 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.216 344 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.216 344 G C 1.697 176.584 174.900 -0.022 0.000 1.171 344 G CA 1.144 46.236 45.100 -0.015 0.000 0.775 344 G HN 0.657 nan 8.290 nan 0.000 0.543 345 L N -0.033 121.164 121.223 -0.044 0.000 2.017 345 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 345 L C 2.964 179.791 176.870 -0.071 0.000 1.073 345 L CA 0.791 55.603 54.840 -0.047 0.000 0.745 345 L CB -0.396 41.615 42.059 -0.080 0.000 0.894 345 L HN 0.201 nan 8.230 nan 0.000 0.432 346 L N -1.159 119.983 121.223 -0.134 0.000 2.093 346 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 346 L C 2.596 179.451 176.870 -0.026 0.000 1.085 346 L CA 1.313 56.080 54.840 -0.123 0.000 0.755 346 L CB -0.918 41.011 42.059 -0.217 0.000 0.904 346 L HN 0.274 nan 8.230 nan 0.000 0.435 347 T N -0.447 114.096 114.554 -0.018 0.000 2.708 347 T HA -0.196 4.154 4.350 -0.001 0.000 0.266 347 T C 1.814 176.524 174.700 0.017 0.000 1.037 347 T CA 1.600 63.708 62.100 0.013 0.000 1.146 347 T CB -0.358 68.514 68.868 0.007 0.000 0.865 347 T HN 0.369 nan 8.240 nan 0.000 0.435 348 N N 1.015 119.723 118.700 0.013 0.000 2.104 348 N HA -0.121 4.619 4.740 -0.001 0.000 0.190 348 N C 2.053 177.587 175.510 0.040 0.000 1.024 348 N CA 1.123 54.188 53.050 0.024 0.000 0.853 348 N CB -0.274 38.230 38.487 0.029 0.000 1.008 348 N HN 0.236 nan 8.380 nan 0.000 0.424 349 L N 1.585 122.834 121.223 0.043 0.000 1.994 349 L HA -0.042 4.297 4.340 -0.001 0.000 0.208 349 L C 2.526 179.442 176.870 0.077 0.000 1.071 349 L CA 2.087 56.965 54.840 0.064 0.000 0.745 349 L CB -1.183 40.913 42.059 0.061 0.000 0.892 349 L HN 0.223 nan 8.230 nan 0.000 0.431 350 A N -0.720 122.148 122.820 0.080 0.000 1.908 350 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 350 A C 2.004 179.625 177.584 0.062 0.000 1.181 350 A CA 2.035 54.136 52.037 0.107 0.000 0.627 350 A CB -0.967 18.125 19.000 0.154 0.000 0.818 350 A HN 0.572 nan 8.150 nan 0.000 0.445 351 D N -0.509 119.904 120.400 0.023 0.000 2.104 351 D HA -0.142 4.497 4.640 -0.001 0.000 0.194 351 D C 2.150 178.457 176.300 0.013 0.000 0.994 351 D CA 1.326 55.316 54.000 -0.016 0.000 0.830 351 D CB -0.377 40.410 40.800 -0.021 0.000 0.959 351 D HN 0.470 nan 8.370 nan 0.000 0.452 352 R N 0.431 120.963 120.500 0.053 0.000 2.148 352 R HA -0.022 4.318 4.340 -0.001 0.000 0.227 352 R C 2.086 178.492 176.300 0.176 0.000 1.103 352 R CA 0.603 56.760 56.100 0.095 0.000 0.983 352 R CB -0.011 30.359 30.300 0.117 0.000 0.874 352 R HN 0.294 nan 8.270 nan 0.000 0.451 353 E N 0.373 120.663 120.200 0.150 0.000 2.216 353 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 353 E C 1.683 178.372 176.600 0.148 0.000 0.988 353 E CA 0.264 56.771 56.400 0.177 0.000 0.834 353 E CB 0.150 29.919 29.700 0.115 0.000 0.772 353 E HN 0.059 nan 8.360 nan 0.000 0.479 354 L N 0.408 121.678 121.223 0.078 0.000 2.046 354 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 354 L C 2.107 178.988 176.870 0.019 0.000 1.077 354 L CA 1.362 56.221 54.840 0.032 0.000 0.747 354 L CB -0.335 41.683 42.059 -0.068 0.000 0.896 354 L HN -0.014 nan 8.230 nan 0.000 0.432 355 V N -0.671 119.229 119.914 -0.024 0.000 2.332 355 V HA -0.328 3.792 4.120 -0.001 0.000 0.248 355 V C 2.508 178.535 176.094 -0.113 0.000 1.055 355 V CA 1.983 64.218 62.300 -0.107 0.000 1.038 355 V CB -1.077 30.620 31.823 -0.210 0.000 0.651 355 V HN 0.550 nan 8.190 nan 0.000 0.450 356 H N -1.021 118.076 119.070 0.045 0.000 2.428 356 H HA -0.003 4.553 4.556 -0.001 0.000 0.296 356 H C 2.235 177.625 175.328 0.103 0.000 1.062 356 H CA 1.696 57.783 56.048 0.064 0.000 1.350 356 H CB -0.075 29.718 29.762 0.051 0.000 1.403 356 H HN 0.392 nan 8.280 nan 0.000 0.533 357 M N 0.750 120.472 119.600 0.202 0.000 2.159 357 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 357 M C 1.920 178.385 176.300 0.276 0.000 1.063 357 M CA 1.448 56.879 55.300 0.219 0.000 1.110 357 M CB -0.087 32.602 32.600 0.150 0.000 1.374 357 M HN 0.115 nan 8.290 nan 0.000 0.411 358 I N 0.552 121.206 120.570 0.138 0.000 2.252 358 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 358 I C 1.859 178.006 176.117 0.050 0.000 1.102 358 I CA 0.941 62.281 61.300 0.068 0.000 1.385 358 I CB -0.753 37.264 38.000 0.029 0.000 1.064 358 I HN 0.358 nan 8.210 nan 0.000 0.414 359 N N 0.385 119.133 118.700 0.080 0.000 2.104 359 N HA -0.259 4.481 4.740 -0.001 0.000 0.190 359 N C 1.432 176.996 175.510 0.090 0.000 1.024 359 N CA 1.437 54.533 53.050 0.076 0.000 0.853 359 N CB -0.640 37.905 38.487 0.097 0.000 1.008 359 N HN 0.522 nan 8.380 nan 0.000 0.424 360 W N 1.997 123.275 121.300 -0.036 0.000 2.333 360 W HA -0.106 4.554 4.660 -0.001 0.000 0.316 360 W C 2.326 178.755 176.519 -0.150 0.000 1.215 360 W CA 2.393 59.697 57.345 -0.068 0.000 1.278 360 W CB -0.622 28.802 29.460 -0.059 0.000 1.154 360 W HN 0.076 nan 8.180 nan 0.000 0.486 361 A N 0.795 123.335 122.820 -0.467 0.000 1.908 361 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 361 A C 1.961 179.079 177.584 -0.777 0.000 1.181 361 A CA 2.174 53.562 52.037 -1.081 0.000 0.627 361 A CB -0.891 17.513 19.000 -0.994 0.000 0.818 361 A HN 0.420 nan 8.150 nan 0.000 0.445 362 K N -0.795 119.425 120.400 -0.300 0.000 2.281 362 K HA -0.119 4.201 4.320 -0.001 0.000 0.203 362 K C 1.813 178.361 176.600 -0.087 0.000 1.046 362 K CA 1.391 57.655 56.287 -0.038 0.000 0.938 362 K CB -0.121 32.386 32.500 0.011 0.000 0.737 362 K HN 0.426 nan 8.250 nan 0.000 0.458 363 R N 0.196 120.568 120.500 -0.213 0.000 2.362 363 R HA 0.114 4.454 4.340 -0.001 0.000 0.227 363 R C -0.171 175.976 176.300 -0.255 0.000 0.905 363 R CA -0.120 55.877 56.100 -0.173 0.000 1.067 363 R CB 0.660 30.892 30.300 -0.113 0.000 1.078 363 R HN -0.102 nan 8.270 nan 0.000 0.516 364 V N 4.278 123.928 119.914 -0.440 0.000 2.446 364 V HA 0.094 4.213 4.120 -0.001 0.000 0.276 364 V C -2.080 173.918 176.094 -0.160 0.000 1.030 364 V CA -1.608 60.444 62.300 -0.413 0.000 1.033 364 V CB 0.772 32.180 31.823 -0.692 0.000 0.993 364 V HN -0.016 nan 8.190 nan 0.000 0.477 365 P HA 0.141 nan 4.420 nan 0.000 0.258 365 P C 1.002 178.306 177.300 0.006 0.000 1.172 365 P CA 1.561 64.638 63.100 -0.038 0.000 0.762 365 P CB 0.342 32.014 31.700 -0.047 0.000 0.764 366 G N 2.696 111.538 108.800 0.069 0.000 2.254 366 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.225 366 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.225 366 G C 0.846 175.878 174.900 0.219 0.000 1.003 366 G CA 0.108 45.310 45.100 0.170 0.000 0.622 366 G HN 0.479 nan 8.290 nan 0.000 0.507 367 F N 2.324 122.265 119.950 -0.015 0.000 2.146 367 F HA 0.026 4.553 4.527 -0.001 0.000 0.298 367 F C 2.751 178.536 175.800 -0.026 0.000 1.096 367 F CA 2.809 60.785 58.000 -0.039 0.000 1.275 367 F CB -0.139 38.780 39.000 -0.136 0.000 1.008 367 F HN 0.418 nan 8.300 nan 0.000 0.480 368 V N -2.704 117.251 119.914 0.068 0.000 2.970 368 V HA -0.157 3.962 4.120 -0.001 0.000 0.260 368 V C 1.571 177.612 176.094 -0.089 0.000 1.100 368 V CA 1.849 64.138 62.300 -0.018 0.000 1.122 368 V CB -0.896 30.943 31.823 0.028 0.000 0.721 368 V HN 0.183 nan 8.190 nan 0.000 0.483 369 D N 0.802 121.148 120.400 -0.090 0.000 2.312 369 D HA 0.135 4.775 4.640 -0.001 0.000 0.211 369 D C 1.000 177.149 176.300 -0.252 0.000 0.964 369 D CA 0.564 54.458 54.000 -0.175 0.000 0.877 369 D CB -0.023 40.632 40.800 -0.241 0.000 0.924 369 D HN 0.458 nan 8.370 nan 0.000 0.515 370 L N 0.690 121.768 121.223 -0.242 0.000 2.475 370 L HA 0.151 4.490 4.340 -0.001 0.000 0.253 370 L C 1.262 178.033 176.870 -0.166 0.000 1.198 370 L CA -0.536 54.173 54.840 -0.218 0.000 0.814 370 L CB 0.392 42.300 42.059 -0.252 0.000 1.134 370 L HN -0.061 nan 8.230 nan 0.000 0.478 371 T N -2.011 112.489 114.554 -0.089 0.000 2.868 371 T HA 0.250 4.599 4.350 -0.001 0.000 0.292 371 T C 1.265 175.943 174.700 -0.038 0.000 1.028 371 T CA 0.009 62.089 62.100 -0.034 0.000 1.059 371 T CB 1.256 70.147 68.868 0.038 0.000 0.991 371 T HN 0.715 nan 8.240 nan 0.000 0.531 372 R N 0.455 120.951 120.500 -0.008 0.000 2.096 372 R HA -0.174 4.165 4.340 -0.001 0.000 0.240 372 R C 2.405 178.721 176.300 0.027 0.000 1.139 372 R CA 2.555 58.649 56.100 -0.010 0.000 0.952 372 R CB -2.366 27.945 30.300 0.017 0.000 0.854 372 R HN 1.007 nan 8.270 nan 0.000 0.436 373 H N 0.591 119.682 119.070 0.035 0.000 2.352 373 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 373 H C 0.998 176.389 175.328 0.104 0.000 1.097 373 H CA 1.897 58.021 56.048 0.126 0.000 1.311 373 H CB -0.032 29.820 29.762 0.150 0.000 1.377 373 H HN 0.502 nan 8.280 nan 0.000 0.504 374 D N 0.414 120.824 120.400 0.017 0.000 2.178 374 D HA -0.107 4.533 4.640 -0.001 0.000 0.202 374 D C 2.401 178.632 176.300 -0.116 0.000 0.974 374 D CA 0.745 54.742 54.000 -0.006 0.000 0.841 374 D CB -0.189 40.760 40.800 0.249 0.000 0.953 374 D HN 0.573 nan 8.370 nan 0.000 0.478 375 Q N 0.124 119.805 119.800 -0.198 0.000 2.119 375 Q HA -0.061 4.278 4.340 -0.001 0.000 0.201 375 Q C 2.330 178.335 176.000 0.007 0.000 0.972 375 Q CA 0.708 56.340 55.803 -0.284 0.000 0.847 375 Q CB 0.144 28.610 28.738 -0.453 0.000 0.903 375 Q HN 0.141 nan 8.270 nan 0.000 0.433 376 V N 0.179 120.037 119.914 -0.094 0.000 2.427 376 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 376 V C 2.073 178.116 176.094 -0.085 0.000 1.051 376 V CA 2.197 64.402 62.300 -0.160 0.000 1.048 376 V CB -0.605 30.918 31.823 -0.501 0.000 0.666 376 V HN 0.419 nan 8.190 nan 0.000 0.456 377 H N -0.029 118.919 119.070 -0.204 0.000 2.389 377 H HA -0.070 4.486 4.556 -0.001 0.000 0.299 377 H C 2.013 177.251 175.328 -0.150 0.000 1.081 377 H CA 1.706 57.629 56.048 -0.209 0.000 1.345 377 H CB -0.131 29.364 29.762 -0.445 0.000 1.393 377 H HN 0.330 nan 8.280 nan 0.000 0.520 378 L N -0.404 120.744 121.223 -0.125 0.000 2.093 378 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 378 L C 2.349 179.236 176.870 0.028 0.000 1.085 378 L CA 0.805 55.614 54.840 -0.052 0.000 0.755 378 L CB -0.296 41.854 42.059 0.152 0.000 0.904 378 L HN 0.318 nan 8.230 nan 0.000 0.435 379 L N -0.503 120.779 121.223 0.098 0.000 2.072 379 L HA -0.178 4.162 4.340 -0.001 0.000 0.205 379 L C 2.649 179.627 176.870 0.181 0.000 1.079 379 L CA 1.091 56.015 54.840 0.140 0.000 0.752 379 L CB -0.443 41.695 42.059 0.132 0.000 0.906 379 L HN 0.307 nan 8.230 nan 0.000 0.436 380 E N -0.235 120.023 120.200 0.097 0.000 2.118 380 E HA -0.248 4.102 4.350 -0.001 0.000 0.195 380 E C 2.183 178.914 176.600 0.218 0.000 0.992 380 E CA 1.674 58.184 56.400 0.184 0.000 0.804 380 E CB 0.058 29.804 29.700 0.077 0.000 0.741 380 E HN 0.566 nan 8.360 nan 0.000 0.458 381 C N -0.364 118.927 119.300 -0.016 0.000 2.485 381 C HA 0.210 4.669 4.460 -0.001 0.000 0.278 381 C C 2.481 177.422 174.990 -0.083 0.000 1.356 381 C CA 0.679 59.644 59.018 -0.090 0.000 1.747 381 C CB -0.244 27.361 27.740 -0.225 0.000 2.001 381 C HN 0.530 nan 8.230 nan 0.000 0.501 382 A N 0.404 123.213 122.820 -0.019 0.000 2.229 382 A HA 0.092 4.411 4.320 -0.001 0.000 0.211 382 A C 1.904 179.461 177.584 -0.045 0.000 1.193 382 A CA 0.155 52.170 52.037 -0.037 0.000 0.879 382 A CB -0.662 18.356 19.000 0.030 0.000 0.911 382 A HN 0.808 nan 8.150 nan 0.000 0.492 383 W N -0.044 121.252 121.300 -0.008 0.000 2.305 383 W HA -0.255 4.405 4.660 -0.001 0.000 0.308 383 W C 1.194 177.707 176.519 -0.011 0.000 1.226 383 W CA 1.509 58.853 57.345 -0.003 0.000 1.253 383 W CB -1.055 28.404 29.460 -0.002 0.000 1.146 383 W HN 0.293 nan 8.180 nan 0.000 0.507 384 L N 1.798 122.349 121.223 -1.120 0.000 2.072 384 L HA -0.063 4.277 4.340 -0.001 0.000 0.205 384 L C 2.591 179.201 176.870 -0.434 0.000 1.079 384 L CA 2.095 56.294 54.840 -1.069 0.000 0.752 384 L CB -1.028 40.184 42.059 -1.413 0.000 0.906 384 L HN -0.014 nan 8.230 nan 0.000 0.436 385 E N -0.482 119.517 120.200 -0.335 0.000 2.110 385 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 385 E C 2.250 178.787 176.600 -0.105 0.000 0.988 385 E CA 1.564 57.858 56.400 -0.177 0.000 0.804 385 E CB -0.156 29.468 29.700 -0.127 0.000 0.745 385 E HN 0.549 nan 8.360 nan 0.000 0.458 386 I N 0.794 121.307 120.570 -0.095 0.000 2.252 386 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 386 I C 2.252 178.325 176.117 -0.073 0.000 1.102 386 I CA 0.804 62.047 61.300 -0.095 0.000 1.385 386 I CB -0.122 37.822 38.000 -0.094 0.000 1.064 386 I HN 0.123 nan 8.210 nan 0.000 0.414 387 L N -0.244 120.962 121.223 -0.028 0.000 2.046 387 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 387 L C 2.647 179.514 176.870 -0.004 0.000 1.077 387 L CA 1.535 56.383 54.840 0.014 0.000 0.747 387 L CB -0.400 41.709 42.059 0.083 0.000 0.896 387 L HN 0.274 nan 8.230 nan 0.000 0.432 388 M N -0.856 118.721 119.600 -0.040 0.000 2.175 388 M HA -0.229 4.250 4.480 -0.001 0.000 0.264 388 M C 2.336 178.647 176.300 0.018 0.000 1.063 388 M CA 1.733 57.006 55.300 -0.044 0.000 1.119 388 M CB -0.208 32.339 32.600 -0.089 0.000 1.377 388 M HN 0.238 nan 8.290 nan 0.000 0.415 389 I N -0.054 120.561 120.570 0.076 0.000 2.546 389 I HA -0.122 4.048 4.170 -0.001 0.000 0.255 389 I C 2.143 178.471 176.117 0.352 0.000 1.163 389 I CA 1.019 62.463 61.300 0.241 0.000 1.457 389 I CB -0.225 37.910 38.000 0.225 0.000 1.092 389 I HN 0.251 nan 8.210 nan 0.000 0.434 390 G N 0.964 109.896 108.800 0.220 0.000 2.404 390 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.215 390 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.215 390 G C 1.536 176.490 174.900 0.090 0.000 1.174 390 G CA 0.759 45.983 45.100 0.208 0.000 0.780 390 G HN 0.372 nan 8.290 nan 0.000 0.537 391 L N 0.947 122.171 121.223 0.003 0.000 2.012 391 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 391 L C 2.881 179.674 176.870 -0.129 0.000 1.073 391 L CA 1.578 56.339 54.840 -0.133 0.000 0.748 391 L CB -0.549 41.373 42.059 -0.230 0.000 0.891 391 L HN 0.079 nan 8.230 nan 0.000 0.431 392 V N -0.791 119.112 119.914 -0.018 0.000 2.407 392 V HA -0.307 3.813 4.120 -0.001 0.000 0.248 392 V C 2.159 178.342 176.094 0.149 0.000 1.055 392 V CA 2.086 64.411 62.300 0.041 0.000 1.049 392 V CB -0.971 30.925 31.823 0.121 0.000 0.662 392 V HN 0.759 nan 8.190 nan 0.000 0.455 393 W N 1.246 122.515 121.300 -0.051 0.000 2.381 393 W HA -0.130 4.530 4.660 -0.001 0.000 0.301 393 W C 2.524 178.891 176.519 -0.253 0.000 1.205 393 W CA 1.301 58.483 57.345 -0.272 0.000 1.285 393 W CB -0.184 28.741 29.460 -0.892 0.000 1.133 393 W HN 0.168 nan 8.180 nan 0.000 0.521 394 R N 0.238 120.592 120.500 -0.243 0.000 2.096 394 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 394 R C 2.137 178.281 176.300 -0.259 0.000 1.127 394 R CA 1.799 57.718 56.100 -0.301 0.000 0.968 394 R CB -0.620 29.566 30.300 -0.190 0.000 0.861 394 R HN 0.014 nan 8.270 nan 0.000 0.440 395 S N 0.780 116.351 115.700 -0.214 0.000 2.603 395 S HA 0.015 4.484 4.470 -0.001 0.000 0.220 395 S C 1.502 176.049 174.600 -0.088 0.000 0.967 395 S CA 0.112 58.221 58.200 -0.152 0.000 0.920 395 S CB 0.106 63.173 63.200 -0.221 0.000 0.773 395 S HN 0.264 nan 8.310 nan 0.000 0.529 396 M N 1.514 121.007 119.600 -0.177 0.000 2.108 396 M HA -0.100 4.380 4.480 -0.001 0.000 0.261 396 M C 0.691 176.894 176.300 -0.162 0.000 1.066 396 M CA 1.493 56.689 55.300 -0.173 0.000 1.107 396 M CB 0.077 32.480 32.600 -0.330 0.000 1.356 396 M HN -0.015 nan 8.290 nan 0.000 0.406 397 E N -0.209 119.868 120.200 -0.206 0.000 2.370 397 E HA 0.115 4.465 4.350 -0.001 0.000 0.194 397 E C -0.651 175.669 176.600 -0.467 0.000 1.057 397 E CA 0.242 56.465 56.400 -0.295 0.000 1.011 397 E CB -0.233 29.257 29.700 -0.350 0.000 1.132 397 E HN 0.552 nan 8.360 nan 0.000 0.450 398 H N 0.293 119.291 119.070 -0.120 0.000 2.429 398 H HA 0.237 4.793 4.556 -0.001 0.000 0.231 398 H C -2.406 172.884 175.328 -0.063 0.000 1.416 398 H CA -1.908 54.089 56.048 -0.084 0.000 1.443 398 H CB 0.831 30.540 29.762 -0.088 0.000 1.591 398 H HN -0.080 nan 8.280 nan 0.000 0.507 399 P HA -0.011 nan 4.420 nan 0.000 0.260 399 P C 1.177 178.498 177.300 0.034 0.000 1.185 399 P CA 1.267 64.370 63.100 0.004 0.000 0.763 399 P CB 0.439 32.130 31.700 -0.016 0.000 0.776 400 G N 2.118 110.943 108.800 0.040 0.000 2.176 400 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.253 400 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.253 400 G C -0.045 174.928 174.900 0.122 0.000 0.979 400 G CA -0.089 45.055 45.100 0.074 0.000 0.641 400 G HN 0.549 nan 8.290 nan 0.000 0.530 401 K N -0.634 119.822 120.400 0.092 0.000 2.435 401 K HA 0.762 5.081 4.320 -0.001 0.000 0.251 401 K C -0.570 176.005 176.600 -0.042 0.000 0.954 401 K CA -0.928 55.420 56.287 0.101 0.000 0.820 401 K CB 2.180 34.734 32.500 0.091 0.000 1.292 401 K HN 0.072 nan 8.250 nan 0.000 0.436 402 L N 2.758 123.916 121.223 -0.108 0.000 2.305 402 L HA 0.375 4.715 4.340 -0.001 0.000 0.284 402 L C -0.761 175.853 176.870 -0.427 0.000 1.013 402 L CA -0.989 53.580 54.840 -0.452 0.000 0.819 402 L CB 1.343 42.839 42.059 -0.939 0.000 1.227 402 L HN 0.371 nan 8.230 nan 0.000 0.417 403 L N 3.609 124.562 121.223 -0.450 0.000 2.449 403 L HA 0.270 4.609 4.340 -0.001 0.000 0.255 403 L C 0.506 177.196 176.870 -0.299 0.000 1.167 403 L CA 0.346 54.982 54.840 -0.339 0.000 1.090 403 L CB -0.240 41.581 42.059 -0.395 0.000 1.385 403 L HN 0.403 nan 8.230 nan 0.000 0.411 404 F N 2.096 121.968 119.950 -0.130 0.000 2.202 404 F HA 0.063 4.590 4.527 -0.001 0.000 0.301 404 F C 1.441 177.176 175.800 -0.108 0.000 1.082 404 F CA 0.981 58.919 58.000 -0.104 0.000 1.313 404 F CB -0.265 38.686 39.000 -0.081 0.000 1.024 404 F HN 0.534 nan 8.300 nan 0.000 0.495 405 A N -1.760 121.093 122.820 0.054 0.000 2.604 405 A HA 0.504 4.824 4.320 -0.001 0.000 0.295 405 A C -2.155 175.355 177.584 -0.124 0.000 1.067 405 A CA -1.107 50.886 52.037 -0.073 0.000 0.683 405 A CB 0.469 19.462 19.000 -0.012 0.000 1.281 405 A HN -0.181 nan 8.150 nan 0.000 0.407 406 P HA -0.136 nan 4.420 nan 0.000 0.218 406 P C 0.668 177.980 177.300 0.021 0.000 1.146 406 P CA 1.831 64.825 63.100 -0.177 0.000 0.813 406 P CB 0.073 31.569 31.700 -0.340 0.000 0.778 407 N N -1.165 117.603 118.700 0.114 0.000 2.238 407 N HA 0.106 4.846 4.740 -0.001 0.000 0.222 407 N C -0.201 175.382 175.510 0.120 0.000 1.133 407 N CA -0.095 53.069 53.050 0.190 0.000 0.854 407 N CB -0.133 38.560 38.487 0.342 0.000 1.041 407 N HN 0.046 nan 8.380 nan 0.000 0.510 408 L N 0.702 121.978 121.223 0.089 0.000 2.457 408 L HA 0.447 4.787 4.340 -0.001 0.000 0.259 408 L C -1.736 175.214 176.870 0.134 0.000 1.377 408 L CA -0.683 54.225 54.840 0.114 0.000 0.887 408 L CB 0.984 43.105 42.059 0.104 0.000 1.085 408 L HN 0.085 nan 8.230 nan 0.000 0.509 409 L N 3.661 124.940 121.223 0.093 0.000 2.283 409 L HA 0.613 4.953 4.340 -0.001 0.000 0.281 409 L C -1.241 175.713 176.870 0.139 0.000 1.033 409 L CA 0.035 54.910 54.840 0.057 0.000 0.848 409 L CB 0.699 42.730 42.059 -0.047 0.000 1.226 409 L HN 0.372 nan 8.230 nan 0.000 0.429 410 L N 3.541 124.915 121.223 0.253 0.000 2.334 410 L HA 0.622 4.961 4.340 -0.001 0.000 0.272 410 L C -0.470 176.623 176.870 0.372 0.000 1.020 410 L CA -1.003 54.021 54.840 0.306 0.000 0.812 410 L CB 1.735 44.030 42.059 0.394 0.000 1.264 410 L HN 0.577 nan 8.230 nan 0.000 0.439 411 D N -0.150 120.387 120.400 0.228 0.000 2.506 411 D HA 0.263 4.903 4.640 -0.001 0.000 0.254 411 D C 0.871 177.091 176.300 -0.134 0.000 1.089 411 D CA -0.839 53.275 54.000 0.190 0.000 1.050 411 D CB 0.911 41.767 40.800 0.093 0.000 1.221 411 D HN 0.361 nan 8.370 nan 0.000 0.589 412 R N -0.539 119.878 120.500 -0.139 0.000 2.133 412 R HA -0.234 4.105 4.340 -0.001 0.000 0.245 412 R C 1.031 177.038 176.300 -0.489 0.000 1.137 412 R CA 1.898 57.731 56.100 -0.445 0.000 0.947 412 R CB -0.350 29.886 30.300 -0.108 0.000 0.865 412 R HN 0.448 nan 8.270 nan 0.000 0.437 413 N N 0.317 118.872 118.700 -0.241 0.000 2.494 413 N HA -0.073 4.667 4.740 -0.001 0.000 0.182 413 N C 0.976 176.392 175.510 -0.155 0.000 1.076 413 N CA 0.789 53.738 53.050 -0.169 0.000 0.908 413 N CB 0.212 38.649 38.487 -0.084 0.000 0.967 413 N HN 0.432 nan 8.380 nan 0.000 0.449 414 Q N -1.204 118.492 119.800 -0.173 0.000 2.403 414 Q HA 0.191 4.530 4.340 -0.001 0.000 0.203 414 Q C 1.335 177.240 176.000 -0.158 0.000 0.932 414 Q CA 0.331 56.083 55.803 -0.085 0.000 0.945 414 Q CB 0.491 29.239 28.738 0.017 0.000 1.045 414 Q HN 0.229 nan 8.270 nan 0.000 0.511 415 G N 0.079 108.670 108.800 -0.348 0.000 3.126 415 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.224 415 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.224 415 G C 1.365 176.131 174.900 -0.223 0.000 1.142 415 G CA 0.276 45.181 45.100 -0.324 0.000 0.759 415 G HN 0.253 nan 8.290 nan 0.000 0.550 416 K N 0.516 120.796 120.400 -0.200 0.000 2.574 416 K HA 0.015 4.335 4.320 -0.001 0.000 0.193 416 K C 2.289 178.844 176.600 -0.075 0.000 1.035 416 K CA 1.282 57.496 56.287 -0.122 0.000 0.982 416 K CB -1.702 30.736 32.500 -0.103 0.000 0.795 416 K HN 0.695 nan 8.250 nan 0.000 0.491 417 C N -1.242 118.016 119.300 -0.071 0.000 2.413 417 C HA 0.106 4.566 4.460 -0.001 0.000 0.276 417 C C 1.444 176.411 174.990 -0.038 0.000 1.236 417 C CA -0.027 58.968 59.018 -0.038 0.000 1.735 417 C CB -0.997 26.726 27.740 -0.029 0.000 2.031 417 C HN 0.304 nan 8.230 nan 0.000 0.474 418 V N 1.577 121.458 119.914 -0.055 0.000 2.785 418 V HA 0.591 4.711 4.120 -0.001 0.000 0.300 418 V C 0.483 176.554 176.094 -0.039 0.000 1.062 418 V CA 0.699 62.973 62.300 -0.044 0.000 1.029 418 V CB 0.954 32.744 31.823 -0.055 0.000 1.024 418 V HN 0.627 nan 8.190 nan 0.000 0.477 419 E N 1.738 121.925 120.200 -0.021 0.000 2.044 419 E HA 0.499 4.848 4.350 -0.001 0.000 0.282 419 E C 1.092 177.685 176.600 -0.012 0.000 1.031 419 E CA 0.095 56.490 56.400 -0.008 0.000 0.824 419 E CB 0.388 30.097 29.700 0.014 0.000 1.076 419 E HN 1.706 nan 8.360 nan 0.000 0.395 420 G N 0.527 109.306 108.800 -0.035 0.000 2.254 420 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.225 420 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.225 420 G C 1.710 176.486 174.900 -0.207 0.000 1.003 420 G CA 1.135 46.196 45.100 -0.066 0.000 0.622 420 G HN 1.802 nan 8.290 nan 0.000 0.507 421 M N 0.896 120.378 119.600 -0.196 0.000 2.632 421 M HA 0.569 5.048 4.480 -0.001 0.000 0.256 421 M C 2.573 178.861 176.300 -0.020 0.000 1.080 421 M CA 2.405 57.608 55.300 -0.162 0.000 1.084 421 M CB -1.228 31.319 32.600 -0.089 0.000 1.439 421 M HN 0.714 nan 8.290 nan 0.000 0.509 422 V N 0.315 120.215 119.914 -0.024 0.000 2.343 422 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 422 V C 2.334 178.474 176.094 0.077 0.000 1.051 422 V CA 2.247 64.559 62.300 0.020 0.000 1.036 422 V CB -0.931 30.874 31.823 -0.030 0.000 0.654 422 V HN 0.780 nan 8.190 nan 0.000 0.451 423 E N 0.213 120.431 120.200 0.030 0.000 2.033 423 E HA -0.256 4.094 4.350 -0.001 0.000 0.199 423 E C 2.177 178.816 176.600 0.066 0.000 1.011 423 E CA 2.006 58.435 56.400 0.049 0.000 0.815 423 E CB -0.315 29.408 29.700 0.037 0.000 0.755 423 E HN 0.551 nan 8.360 nan 0.000 0.451 424 I N 0.320 120.903 120.570 0.022 0.000 2.248 424 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 424 I C 2.337 178.490 176.117 0.059 0.000 1.107 424 I CA 0.977 62.283 61.300 0.010 0.000 1.373 424 I CB -0.307 37.669 38.000 -0.040 0.000 1.055 424 I HN 0.074 nan 8.210 nan 0.000 0.418 425 F N 2.107 122.051 119.950 -0.011 0.000 2.095 425 F HA -0.280 4.247 4.527 -0.001 0.000 0.298 425 F C 2.211 178.015 175.800 0.006 0.000 1.104 425 F CA 1.987 59.996 58.000 0.015 0.000 1.232 425 F CB -0.291 38.725 39.000 0.026 0.000 0.987 425 F HN 0.101 nan 8.300 nan 0.000 0.475 426 D N -0.123 120.439 120.400 0.271 0.000 2.104 426 D HA -0.224 4.415 4.640 -0.001 0.000 0.194 426 D C 2.397 178.753 176.300 0.093 0.000 0.994 426 D CA 1.704 55.806 54.000 0.170 0.000 0.830 426 D CB -0.478 40.396 40.800 0.124 0.000 0.959 426 D HN 0.327 nan 8.370 nan 0.000 0.452 427 M N -0.054 119.600 119.600 0.091 0.000 2.117 427 M HA -0.101 4.379 4.480 -0.001 0.000 0.262 427 M C 2.293 178.642 176.300 0.081 0.000 1.065 427 M CA 0.999 56.375 55.300 0.128 0.000 1.114 427 M CB -0.233 32.444 32.600 0.128 0.000 1.361 427 M HN 0.007 nan 8.290 nan 0.000 0.408 428 L N -0.097 121.102 121.223 -0.040 0.000 2.093 428 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 428 L C 2.359 179.139 176.870 -0.151 0.000 1.085 428 L CA 1.010 55.768 54.840 -0.137 0.000 0.755 428 L CB -0.612 41.283 42.059 -0.273 0.000 0.904 428 L HN 0.326 nan 8.230 nan 0.000 0.435 429 L N -0.389 120.757 121.223 -0.128 0.000 2.046 429 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 429 L C 2.904 179.737 176.870 -0.062 0.000 1.077 429 L CA 1.182 55.970 54.840 -0.086 0.000 0.747 429 L CB -0.691 41.374 42.059 0.010 0.000 0.896 429 L HN 0.242 nan 8.230 nan 0.000 0.432 430 A N -0.320 122.478 122.820 -0.037 0.000 1.902 430 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 430 A C 2.351 179.860 177.584 -0.126 0.000 1.181 430 A CA 2.379 54.378 52.037 -0.063 0.000 0.623 430 A CB -0.963 18.004 19.000 -0.055 0.000 0.818 430 A HN 0.413 nan 8.150 nan 0.000 0.443 431 T N -0.558 113.921 114.554 -0.125 0.000 2.746 431 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 431 T C 2.243 176.707 174.700 -0.392 0.000 1.039 431 T CA 1.719 63.657 62.100 -0.269 0.000 1.142 431 T CB -0.412 68.342 68.868 -0.190 0.000 0.866 431 T HN 0.496 nan 8.240 nan 0.000 0.444 432 S N 0.725 116.293 115.700 -0.221 0.000 2.382 432 S HA -0.126 4.344 4.470 -0.001 0.000 0.228 432 S C 2.347 176.914 174.600 -0.054 0.000 1.027 432 S CA 1.504 59.638 58.200 -0.110 0.000 0.991 432 S CB -0.498 62.650 63.200 -0.087 0.000 0.823 432 S HN 0.482 nan 8.310 nan 0.000 0.469 433 S N 1.277 116.933 115.700 -0.073 0.000 2.368 433 S HA -0.093 4.376 4.470 -0.001 0.000 0.225 433 S C 1.888 176.472 174.600 -0.026 0.000 1.030 433 S CA 1.407 59.582 58.200 -0.041 0.000 0.999 433 S CB -0.471 62.702 63.200 -0.045 0.000 0.844 433 S HN 0.505 nan 8.310 nan 0.000 0.459 434 R N 1.345 121.798 120.500 -0.078 0.000 2.080 434 R HA -0.044 4.296 4.340 -0.001 0.000 0.236 434 R C 1.721 178.083 176.300 0.103 0.000 1.137 434 R CA 1.607 57.678 56.100 -0.049 0.000 0.943 434 R CB -1.127 29.079 30.300 -0.155 0.000 0.846 434 R HN 0.307 nan 8.270 nan 0.000 0.431 435 F N 0.899 120.868 119.950 0.033 0.000 2.095 435 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 435 F C 2.481 178.300 175.800 0.031 0.000 1.104 435 F CA 1.625 59.663 58.000 0.063 0.000 1.232 435 F CB -0.993 38.068 39.000 0.102 0.000 0.987 435 F HN 0.142 nan 8.300 nan 0.000 0.475 436 R N 0.144 120.757 120.500 0.188 0.000 2.083 436 R HA -0.231 4.108 4.340 -0.001 0.000 0.237 436 R C 2.355 178.688 176.300 0.056 0.000 1.137 436 R CA 1.866 58.007 56.100 0.069 0.000 0.951 436 R CB -0.484 29.823 30.300 0.012 0.000 0.851 436 R HN 0.305 nan 8.270 nan 0.000 0.434 437 M N -0.208 119.425 119.600 0.056 0.000 2.159 437 M HA -0.159 4.320 4.480 -0.001 0.000 0.263 437 M C 1.693 178.026 176.300 0.055 0.000 1.063 437 M CA 1.670 56.993 55.300 0.039 0.000 1.110 437 M CB 0.135 32.750 32.600 0.025 0.000 1.374 437 M HN 0.213 nan 8.290 nan 0.000 0.411 438 M N -0.026 119.631 119.600 0.096 0.000 2.595 438 M HA 0.011 4.491 4.480 -0.001 0.000 0.248 438 M C -0.073 176.277 176.300 0.082 0.000 1.119 438 M CA 0.198 55.556 55.300 0.098 0.000 1.079 438 M CB -0.063 32.627 32.600 0.150 0.000 1.472 438 M HN 0.288 nan 8.290 nan 0.000 0.501 439 N N 2.017 120.764 118.700 0.079 0.000 2.738 439 N HA -0.151 4.589 4.740 -0.001 0.000 0.249 439 N C -0.737 174.823 175.510 0.082 0.000 1.047 439 N CA 0.307 53.394 53.050 0.061 0.000 0.707 439 N CB -1.382 37.127 38.487 0.036 0.000 0.937 439 N HN 0.236 nan 8.380 nan 0.000 0.545 440 L N 1.045 122.336 121.223 0.113 0.000 2.559 440 L HA -0.032 4.307 4.340 -0.001 0.000 0.274 440 L C 0.662 177.651 176.870 0.200 0.000 1.205 440 L CA 0.879 55.776 54.840 0.095 0.000 0.907 440 L CB 0.509 42.539 42.059 -0.048 0.000 1.153 440 L HN 0.096 nan 8.230 nan 0.000 0.490 441 Q N 3.631 123.500 119.800 0.115 0.000 2.227 441 Q HA 0.289 4.629 4.340 -0.001 0.000 0.245 441 Q C 1.105 177.139 176.000 0.057 0.000 0.926 441 Q CA 0.397 56.284 55.803 0.140 0.000 0.895 441 Q CB 1.153 29.931 28.738 0.067 0.000 1.230 441 Q HN 0.867 nan 8.270 nan 0.000 0.450 442 G N 1.583 110.452 108.800 0.115 0.000 2.440 442 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 442 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 442 G C 0.852 175.672 174.900 -0.132 0.000 1.154 442 G CA 0.879 45.907 45.100 -0.119 0.000 0.767 442 G HN 0.559 nan 8.290 nan 0.000 0.552 443 E N 0.551 120.726 120.200 -0.041 0.000 2.268 443 E HA 0.025 4.375 4.350 -0.001 0.000 0.195 443 E C 2.299 178.859 176.600 -0.067 0.000 0.995 443 E CA 0.841 57.218 56.400 -0.038 0.000 0.836 443 E CB -0.053 29.647 29.700 -0.000 0.000 0.763 443 E HN 0.610 nan 8.360 nan 0.000 0.491 444 E N -0.328 119.826 120.200 -0.077 0.000 2.112 444 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 444 E C 1.611 178.116 176.600 -0.159 0.000 0.979 444 E CA 0.465 56.813 56.400 -0.088 0.000 0.814 444 E CB -0.152 29.513 29.700 -0.059 0.000 0.762 444 E HN 0.252 nan 8.360 nan 0.000 0.460 445 F N 2.081 121.772 119.950 -0.432 0.000 2.069 445 F HA -0.242 4.285 4.527 -0.001 0.000 0.298 445 F C 2.214 177.774 175.800 -0.400 0.000 1.113 445 F CA 1.666 59.309 58.000 -0.594 0.000 1.214 445 F CB -0.569 37.693 39.000 -1.230 0.000 0.978 445 F HN -0.093 nan 8.300 nan 0.000 0.474 446 V N -1.423 118.153 119.914 -0.563 0.000 2.490 446 V HA -0.268 3.851 4.120 -0.001 0.000 0.250 446 V C 2.383 178.307 176.094 -0.282 0.000 1.061 446 V CA 1.756 63.766 62.300 -0.484 0.000 1.064 446 V CB -2.005 29.716 31.823 -0.169 0.000 0.670 446 V HN 0.555 nan 8.190 nan 0.000 0.461 447 C N 0.180 119.357 119.300 -0.205 0.000 2.453 447 C HA 0.038 4.497 4.460 -0.001 0.000 0.277 447 C C 2.764 177.678 174.990 -0.126 0.000 1.262 447 C CA 1.151 60.097 59.018 -0.119 0.000 1.718 447 C CB -1.173 26.521 27.740 -0.076 0.000 2.031 447 C HN 0.603 nan 8.230 nan 0.000 0.480 448 L N 0.720 121.834 121.223 -0.181 0.000 2.046 448 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 448 L C 2.643 179.420 176.870 -0.154 0.000 1.077 448 L CA 1.668 56.427 54.840 -0.135 0.000 0.747 448 L CB -0.687 41.300 42.059 -0.121 0.000 0.896 448 L HN 0.406 nan 8.230 nan 0.000 0.432 449 K N -0.214 119.991 120.400 -0.325 0.000 2.057 449 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 449 K C 2.259 178.890 176.600 0.051 0.000 1.049 449 K CA 1.562 57.686 56.287 -0.271 0.000 0.931 449 K CB 0.059 32.174 32.500 -0.642 0.000 0.714 449 K HN 0.109 nan 8.250 nan 0.000 0.440 450 S N 0.986 116.743 115.700 0.096 0.000 2.368 450 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 450 S C 1.831 176.453 174.600 0.036 0.000 1.030 450 S CA 1.254 59.515 58.200 0.101 0.000 0.999 450 S CB -0.235 62.963 63.200 -0.003 0.000 0.844 450 S HN 0.273 nan 8.310 nan 0.000 0.459 451 I N 1.364 121.940 120.570 0.010 0.000 2.208 451 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 451 I C 2.035 178.172 176.117 0.033 0.000 1.097 451 I CA 1.258 62.567 61.300 0.016 0.000 1.363 451 I CB -0.464 37.544 38.000 0.013 0.000 1.051 451 I HN 0.269 nan 8.210 nan 0.000 0.413 452 I N 0.252 120.842 120.570 0.034 0.000 2.163 452 I HA -0.323 3.846 4.170 -0.001 0.000 0.243 452 I C 2.592 178.743 176.117 0.056 0.000 1.085 452 I CA 1.286 62.609 61.300 0.038 0.000 1.347 452 I CB -0.380 37.632 38.000 0.019 0.000 1.044 452 I HN 0.262 nan 8.210 nan 0.000 0.408 453 L N 0.851 122.133 121.223 0.097 0.000 2.012 453 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 453 L C 2.207 179.130 176.870 0.089 0.000 1.073 453 L CA 1.981 56.884 54.840 0.104 0.000 0.748 453 L CB -0.427 41.679 42.059 0.078 0.000 0.891 453 L HN 0.147 nan 8.230 nan 0.000 0.431 454 L N -0.780 120.483 121.223 0.067 0.000 2.341 454 L HA -0.052 4.288 4.340 -0.001 0.000 0.214 454 L C 2.287 179.169 176.870 0.020 0.000 1.115 454 L CA 0.993 55.871 54.840 0.064 0.000 0.820 454 L CB -0.583 41.493 42.059 0.029 0.000 0.944 454 L HN 0.504 nan 8.230 nan 0.000 0.452 455 N N -0.366 118.344 118.700 0.016 0.000 2.349 455 N HA -0.102 4.637 4.740 -0.001 0.000 0.180 455 N C 1.791 177.308 175.510 0.011 0.000 1.024 455 N CA 0.798 53.847 53.050 -0.001 0.000 0.869 455 N CB 0.304 38.815 38.487 0.042 0.000 1.022 455 N HN 0.063 nan 8.380 nan 0.000 0.433 456 S N -0.394 115.323 115.700 0.028 0.000 2.423 456 S HA -0.107 4.363 4.470 -0.001 0.000 0.238 456 S C 1.480 176.087 174.600 0.011 0.000 1.028 456 S CA 1.463 59.679 58.200 0.027 0.000 1.000 456 S CB -0.278 62.919 63.200 -0.005 0.000 0.797 456 S HN 0.615 nan 8.310 nan 0.000 0.487 457 G N -0.506 108.277 108.800 -0.029 0.000 3.377 457 G HA2 0.229 4.189 3.960 -0.001 0.000 0.257 457 G HA3 0.229 4.189 3.960 -0.001 0.000 0.257 457 G C 0.880 175.807 174.900 0.045 0.000 1.038 457 G CA -0.037 45.012 45.100 -0.085 0.000 0.809 457 G HN 0.341 nan 8.290 nan 0.000 0.526 458 V N -0.035 119.919 119.914 0.066 0.000 2.626 458 V HA -0.049 4.070 4.120 -0.001 0.000 0.252 458 V C 1.978 178.210 176.094 0.231 0.000 1.067 458 V CA 1.460 63.870 62.300 0.183 0.000 1.081 458 V CB -0.360 31.336 31.823 -0.212 0.000 0.686 458 V HN 0.463 nan 8.190 nan 0.000 0.468 459 Y N 0.519 121.012 120.300 0.322 0.000 2.503 459 Y HA 0.116 4.666 4.550 -0.001 0.000 0.278 459 Y C 2.209 178.268 175.900 0.266 0.000 1.111 459 Y CA 0.971 59.233 58.100 0.270 0.000 1.270 459 Y CB -0.376 38.193 38.460 0.182 0.000 1.063 459 Y HN 0.436 nan 8.280 nan 0.000 0.548 460 T N -2.440 112.355 114.554 0.402 0.000 3.264 460 T HA 0.226 4.575 4.350 -0.001 0.000 0.257 460 T C 0.150 174.983 174.700 0.223 0.000 0.976 460 T CA -0.275 62.016 62.100 0.319 0.000 0.908 460 T CB -1.288 67.754 68.868 0.289 0.000 1.082 460 T HN -0.141 nan 8.240 nan 0.000 0.567 465 T N -2.557 111.994 114.554 -0.006 0.000 0.541 465 T HA 0.505 4.855 4.350 -0.001 0.000 0.774 465 T C 1.673 176.362 174.700 -0.019 0.000 0.992 465 T CA 1.414 63.506 62.100 -0.012 0.000 4.077 465 T CB -2.144 66.716 68.868 -0.014 0.000 2.303 465 T HN 2.462 nan 8.240 nan 0.000 0.398 466 L N 1.271 122.483 121.223 -0.019 0.000 2.017 466 L HA 0.452 4.792 4.340 -0.001 0.000 0.208 466 L C 3.468 180.318 176.870 -0.032 0.000 1.073 466 L CA 3.659 58.486 54.840 -0.023 0.000 0.745 466 L CB -2.393 39.654 42.059 -0.019 0.000 0.894 466 L HN 2.276 nan 8.230 nan 0.000 0.432 467 K N -0.823 119.557 120.400 -0.033 0.000 2.211 467 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 467 K C 2.580 179.144 176.600 -0.060 0.000 1.047 467 K CA 1.878 58.140 56.287 -0.042 0.000 0.935 467 K CB -1.203 31.276 32.500 -0.034 0.000 0.728 467 K HN 0.764 nan 8.250 nan 0.000 0.452 468 S N -0.063 115.601 115.700 -0.060 0.000 2.387 468 S HA 0.042 4.512 4.470 -0.001 0.000 0.226 468 S C 1.976 176.484 174.600 -0.152 0.000 1.026 468 S CA 0.866 59.005 58.200 -0.102 0.000 0.972 468 S CB -0.219 62.944 63.200 -0.062 0.000 0.814 468 S HN 0.510 nan 8.310 nan 0.000 0.477 469 L N 0.911 122.080 121.223 -0.090 0.000 2.291 469 L HA 0.046 4.385 4.340 -0.001 0.000 0.214 469 L C 2.409 179.241 176.870 -0.063 0.000 1.120 469 L CA 0.973 55.770 54.840 -0.071 0.000 0.799 469 L CB -0.475 41.566 42.059 -0.031 0.000 0.925 469 L HN 0.407 nan 8.230 nan 0.000 0.446 470 E N -0.160 120.001 120.200 -0.064 0.000 2.152 470 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 470 E C 1.954 178.519 176.600 -0.059 0.000 0.983 470 E CA 0.599 56.972 56.400 -0.046 0.000 0.818 470 E CB 0.164 29.836 29.700 -0.047 0.000 0.758 470 E HN 0.414 nan 8.360 nan 0.000 0.467 471 E N 1.278 121.403 120.200 -0.125 0.000 2.072 471 E HA -0.044 4.306 4.350 -0.001 0.000 0.190 471 E C 0.864 177.341 176.600 -0.206 0.000 0.982 471 E CA 0.659 56.959 56.400 -0.167 0.000 0.803 471 E CB 0.020 29.569 29.700 -0.251 0.000 0.755 471 E HN 0.180 nan 8.360 nan 0.000 0.453 475 I N 1.590 122.085 120.570 -0.126 0.000 2.208 475 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 475 I C 1.877 177.842 176.117 -0.254 0.000 1.097 475 I CA 1.531 62.698 61.300 -0.222 0.000 1.363 475 I CB -0.359 37.490 38.000 -0.252 0.000 1.051 475 I HN 0.464 nan 8.210 nan 0.000 0.413 476 H N 0.736 119.756 119.070 -0.083 0.000 2.462 476 H HA 0.012 4.567 4.556 -0.001 0.000 0.292 476 H C 2.350 177.633 175.328 -0.076 0.000 1.049 476 H CA 0.876 56.885 56.048 -0.065 0.000 1.334 476 H CB -0.098 29.640 29.762 -0.039 0.000 1.404 476 H HN 0.339 nan 8.280 nan 0.000 0.544 477 R N 0.215 120.709 120.500 -0.010 0.000 2.066 477 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 477 R C 2.422 178.660 176.300 -0.103 0.000 1.131 477 R CA 1.160 57.224 56.100 -0.060 0.000 0.955 477 R CB -0.316 29.927 30.300 -0.095 0.000 0.851 477 R HN 0.078 nan 8.270 nan 0.000 0.432 478 V N 1.802 121.598 119.914 -0.197 0.000 2.343 478 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 478 V C 2.418 178.461 176.094 -0.085 0.000 1.051 478 V CA 1.596 63.794 62.300 -0.170 0.000 1.036 478 V CB -0.491 31.195 31.823 -0.228 0.000 0.654 478 V HN 0.281 nan 8.190 nan 0.000 0.451 479 L N -0.126 121.062 121.223 -0.058 0.000 2.042 479 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 479 L C 2.408 179.281 176.870 0.005 0.000 1.076 479 L CA 1.636 56.469 54.840 -0.011 0.000 0.749 479 L CB -0.713 41.362 42.059 0.028 0.000 0.893 479 L HN 0.352 nan 8.230 nan 0.000 0.432 480 D N -0.213 120.191 120.400 0.007 0.000 2.144 480 D HA -0.203 4.436 4.640 -0.001 0.000 0.199 480 D C 2.107 178.403 176.300 -0.006 0.000 0.984 480 D CA 1.076 55.081 54.000 0.008 0.000 0.834 480 D CB -0.010 40.795 40.800 0.008 0.000 0.955 480 D HN 0.067 nan 8.370 nan 0.000 0.465 481 K N 0.676 121.061 120.400 -0.025 0.000 2.057 481 K HA -0.000 4.319 4.320 -0.001 0.000 0.207 481 K C 2.043 178.629 176.600 -0.024 0.000 1.049 481 K CA 0.676 56.944 56.287 -0.032 0.000 0.931 481 K CB -0.347 32.122 32.500 -0.052 0.000 0.714 481 K HN 0.126 nan 8.250 nan 0.000 0.440 482 I N 0.145 120.701 120.570 -0.024 0.000 2.394 482 I HA -0.252 3.917 4.170 -0.001 0.000 0.251 482 I C 1.748 177.865 176.117 -0.001 0.000 1.136 482 I CA 1.319 62.609 61.300 -0.018 0.000 1.425 482 I CB -0.392 37.595 38.000 -0.022 0.000 1.079 482 I HN 0.194 nan 8.210 nan 0.000 0.425 483 T N 0.113 114.672 114.554 0.008 0.000 2.777 483 T HA -0.160 4.189 4.350 -0.001 0.000 0.266 483 T C 1.468 176.184 174.700 0.028 0.000 1.040 483 T CA 1.498 63.611 62.100 0.022 0.000 1.141 483 T CB -0.293 68.591 68.868 0.028 0.000 0.868 483 T HN 0.292 nan 8.240 nan 0.000 0.444 484 D N 1.022 121.435 120.400 0.021 0.000 2.123 484 D HA -0.077 4.563 4.640 -0.001 0.000 0.196 484 D C 2.344 178.672 176.300 0.047 0.000 0.992 484 D CA 1.295 55.312 54.000 0.028 0.000 0.833 484 D CB -0.683 40.120 40.800 0.005 0.000 0.954 484 D HN 0.335 nan 8.370 nan 0.000 0.455 485 T N 0.914 115.483 114.554 0.025 0.000 2.708 485 T HA -0.073 4.277 4.350 -0.001 0.000 0.266 485 T C 2.231 176.974 174.700 0.071 0.000 1.037 485 T CA 0.473 62.597 62.100 0.040 0.000 1.146 485 T CB -0.391 68.479 68.868 0.004 0.000 0.865 485 T HN 0.106 nan 8.240 nan 0.000 0.435 486 L N 0.467 121.714 121.223 0.040 0.000 2.013 486 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 486 L C 2.497 179.394 176.870 0.045 0.000 1.073 486 L CA 1.044 55.904 54.840 0.033 0.000 0.753 486 L CB -0.494 41.577 42.059 0.021 0.000 0.890 486 L HN 0.250 nan 8.230 nan 0.000 0.432 487 I N -0.888 119.717 120.570 0.058 0.000 2.179 487 I HA -0.335 3.835 4.170 -0.001 0.000 0.242 487 I C 2.535 178.690 176.117 0.064 0.000 1.088 487 I CA 1.594 62.927 61.300 0.056 0.000 1.357 487 I CB -1.493 36.544 38.000 0.062 0.000 1.051 487 I HN 0.442 nan 8.210 nan 0.000 0.409 488 H N 1.306 120.378 119.070 0.003 0.000 2.387 488 H HA -0.140 4.415 4.556 -0.001 0.000 0.299 488 H C 2.346 177.674 175.328 0.000 0.000 1.099 488 H CA 1.452 57.501 56.048 0.002 0.000 1.315 488 H CB 0.098 29.860 29.762 0.000 0.000 1.380 488 H HN 0.247 nan 8.280 nan 0.000 0.513 489 L N 0.018 121.266 121.223 0.042 0.000 2.083 489 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 489 L C 2.855 179.692 176.870 -0.055 0.000 1.083 489 L CA 1.111 55.944 54.840 -0.010 0.000 0.752 489 L CB -0.240 41.837 42.059 0.029 0.000 0.899 489 L HN 0.313 nan 8.230 nan 0.000 0.433 490 M N -1.274 118.303 119.600 -0.038 0.000 2.288 490 M HA -0.069 4.410 4.480 -0.001 0.000 0.266 490 M C 2.432 178.694 176.300 -0.063 0.000 1.072 490 M CA 1.356 56.633 55.300 -0.038 0.000 1.132 490 M CB -0.341 32.248 32.600 -0.018 0.000 1.386 490 M HN 0.262 nan 8.290 nan 0.000 0.432 491 A N 0.642 123.406 122.820 -0.092 0.000 1.897 491 A HA -0.117 4.202 4.320 -0.001 0.000 0.215 491 A C 2.136 179.638 177.584 -0.137 0.000 1.181 491 A CA 1.397 53.371 52.037 -0.105 0.000 0.620 491 A CB -0.428 18.508 19.000 -0.107 0.000 0.821 491 A HN 0.343 nan 8.150 nan 0.000 0.443 492 K N -0.315 119.955 120.400 -0.217 0.000 2.044 492 K HA -0.170 4.149 4.320 -0.001 0.000 0.210 492 K C 2.159 178.702 176.600 -0.094 0.000 1.049 492 K CA 1.353 57.531 56.287 -0.182 0.000 0.927 492 K CB -0.339 32.035 32.500 -0.210 0.000 0.713 492 K HN 0.439 nan 8.250 nan 0.000 0.443 493 A N -0.037 122.739 122.820 -0.075 0.000 2.125 493 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 493 A C 1.396 178.957 177.584 -0.038 0.000 1.156 493 A CA 1.529 53.539 52.037 -0.044 0.000 0.671 493 A CB -0.404 18.577 19.000 -0.031 0.000 0.794 493 A HN 0.535 nan 8.150 nan 0.000 0.459 494 G N -1.902 106.870 108.800 -0.047 0.000 2.138 494 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.193 494 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.193 494 G C -0.025 174.855 174.900 -0.034 0.000 0.998 494 G CA -0.007 45.070 45.100 -0.037 0.000 0.668 494 G HN 0.400 nan 8.290 nan 0.000 0.516 495 L N 1.922 123.122 121.223 -0.039 0.000 2.426 495 L HA 0.455 4.795 4.340 -0.001 0.000 0.271 495 L C 1.716 178.561 176.870 -0.042 0.000 1.169 495 L CA 0.104 54.919 54.840 -0.040 0.000 0.836 495 L CB 0.647 42.680 42.059 -0.044 0.000 1.112 495 L HN 0.433 nan 8.230 nan 0.000 0.465 496 T N -0.728 113.798 114.554 -0.046 0.000 2.813 496 T HA 0.197 4.547 4.350 -0.001 0.000 0.297 496 T C 1.370 176.037 174.700 -0.055 0.000 1.036 496 T CA -0.651 61.423 62.100 -0.042 0.000 1.044 496 T CB 0.816 69.660 68.868 -0.040 0.000 0.993 496 T HN 0.469 nan 8.240 nan 0.000 0.535 497 L N 0.408 121.613 121.223 -0.029 0.000 2.013 497 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 497 L C 3.257 180.077 176.870 -0.083 0.000 1.073 497 L CA 1.967 56.803 54.840 -0.007 0.000 0.753 497 L CB -0.672 41.413 42.059 0.043 0.000 0.890 497 L HN 0.866 nan 8.230 nan 0.000 0.432 498 Q N -0.146 119.579 119.800 -0.125 0.000 2.061 498 Q HA -0.285 4.055 4.340 -0.001 0.000 0.204 498 Q C 2.249 177.856 176.000 -0.655 0.000 0.984 498 Q CA 1.888 57.458 55.803 -0.388 0.000 0.846 498 Q CB -0.040 28.637 28.738 -0.103 0.000 0.902 498 Q HN 0.536 nan 8.270 nan 0.000 0.421 499 Q N -0.286 119.338 119.800 -0.293 0.000 2.124 499 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 499 Q C 2.174 178.055 176.000 -0.199 0.000 0.977 499 Q CA 1.610 57.288 55.803 -0.208 0.000 0.850 499 Q CB 0.006 28.680 28.738 -0.106 0.000 0.901 499 Q HN 0.508 nan 8.270 nan 0.000 0.429 500 Q N -0.241 119.454 119.800 -0.175 0.000 2.020 500 Q HA -0.202 4.137 4.340 -0.001 0.000 0.202 500 Q C 2.187 178.159 176.000 -0.047 0.000 0.982 500 Q CA 1.671 57.425 55.803 -0.081 0.000 0.838 500 Q CB -0.338 28.382 28.738 -0.031 0.000 0.899 500 Q HN 0.717 nan 8.270 nan 0.000 0.423 501 H N -0.188 118.891 119.070 0.015 0.000 2.423 501 H HA -0.049 4.507 4.556 -0.001 0.000 0.297 501 H C 1.645 176.985 175.328 0.020 0.000 1.075 501 H CA 1.002 57.060 56.048 0.018 0.000 1.342 501 H CB -0.016 29.755 29.762 0.015 0.000 1.395 501 H HN 0.314 nan 8.280 nan 0.000 0.530 502 Q N 0.789 120.544 119.800 -0.075 0.000 2.046 502 Q HA -0.103 4.236 4.340 -0.001 0.000 0.200 502 Q C 2.621 178.644 176.000 0.039 0.000 0.975 502 Q CA 1.248 57.078 55.803 0.045 0.000 0.836 502 Q CB -0.026 28.673 28.738 -0.064 0.000 0.896 502 Q HN 0.430 nan 8.270 nan 0.000 0.428 503 R N 0.551 121.051 120.500 0.001 0.000 2.092 503 R HA -0.151 4.188 4.340 -0.001 0.000 0.231 503 R C 2.256 178.584 176.300 0.048 0.000 1.119 503 R CA 0.808 56.922 56.100 0.024 0.000 0.970 503 R CB -0.200 30.104 30.300 0.006 0.000 0.864 503 R HN 0.203 nan 8.270 nan 0.000 0.440 504 L N 0.719 121.974 121.223 0.053 0.000 2.042 504 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 504 L C 2.206 179.121 176.870 0.075 0.000 1.076 504 L CA 2.225 57.104 54.840 0.065 0.000 0.749 504 L CB -0.704 41.400 42.059 0.074 0.000 0.893 504 L HN 0.235 nan 8.230 nan 0.000 0.432 505 A N -1.104 121.769 122.820 0.087 0.000 1.877 505 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 505 A C 2.188 179.817 177.584 0.076 0.000 1.186 505 A CA 1.767 53.853 52.037 0.083 0.000 0.620 505 A CB -0.619 18.437 19.000 0.094 0.000 0.822 505 A HN 0.654 nan 8.150 nan 0.000 0.443 506 Q N -0.345 119.500 119.800 0.075 0.000 2.096 506 Q HA -0.126 4.213 4.340 -0.001 0.000 0.204 506 Q C 2.080 178.142 176.000 0.103 0.000 0.982 506 Q CA 1.573 57.422 55.803 0.077 0.000 0.850 506 Q CB -0.370 28.410 28.738 0.071 0.000 0.901 506 Q HN 0.687 nan 8.270 nan 0.000 0.422 507 L N 0.084 121.372 121.223 0.108 0.000 2.027 507 L HA -0.187 4.153 4.340 -0.001 0.000 0.206 507 L C 2.262 179.211 176.870 0.132 0.000 1.074 507 L CA 0.975 55.896 54.840 0.136 0.000 0.745 507 L CB -0.430 41.686 42.059 0.095 0.000 0.898 507 L HN 0.273 nan 8.230 nan 0.000 0.433 508 L N -0.613 120.669 121.223 0.099 0.000 2.141 508 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 508 L C 2.468 179.394 176.870 0.093 0.000 1.094 508 L CA 0.855 55.750 54.840 0.091 0.000 0.763 508 L CB -0.402 41.704 42.059 0.077 0.000 0.908 508 L HN 0.293 nan 8.230 nan 0.000 0.437 509 L N -0.268 121.007 121.223 0.087 0.000 2.201 509 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 509 L C 2.444 179.368 176.870 0.091 0.000 1.105 509 L CA 1.121 56.006 54.840 0.075 0.000 0.775 509 L CB -0.280 41.813 42.059 0.056 0.000 0.913 509 L HN 0.256 nan 8.230 nan 0.000 0.440 510 I N -0.310 120.328 120.570 0.114 0.000 2.394 510 I HA -0.293 3.876 4.170 -0.001 0.000 0.251 510 I C 2.342 178.553 176.117 0.157 0.000 1.136 510 I CA 1.061 62.442 61.300 0.134 0.000 1.425 510 I CB -0.187 37.921 38.000 0.180 0.000 1.079 510 I HN 0.239 nan 8.210 nan 0.000 0.425 511 L N -0.177 121.132 121.223 0.142 0.000 2.127 511 L HA -0.232 4.108 4.340 -0.001 0.000 0.211 511 L C 2.713 179.641 176.870 0.096 0.000 1.089 511 L CA 1.291 56.200 54.840 0.115 0.000 0.757 511 L CB -0.724 41.394 42.059 0.099 0.000 0.899 511 L HN 0.266 nan 8.230 nan 0.000 0.434 512 S N -0.642 115.120 115.700 0.103 0.000 2.382 512 S HA -0.276 4.193 4.470 -0.001 0.000 0.228 512 S C 2.045 176.715 174.600 0.117 0.000 1.027 512 S CA 1.652 59.909 58.200 0.095 0.000 0.991 512 S CB -0.236 63.012 63.200 0.080 0.000 0.823 512 S HN 0.633 nan 8.310 nan 0.000 0.469 513 H N 0.449 119.540 119.070 0.035 0.000 2.428 513 H HA 0.226 4.781 4.556 -0.001 0.000 0.296 513 H C 1.790 177.154 175.328 0.060 0.000 1.062 513 H CA 1.609 57.682 56.048 0.042 0.000 1.350 513 H CB -0.273 29.486 29.762 -0.004 0.000 1.403 513 H HN 0.441 nan 8.280 nan 0.000 0.533 514 I N -0.238 120.300 120.570 -0.052 0.000 2.353 514 I HA -0.173 3.996 4.170 -0.001 0.000 0.248 514 I C 2.524 178.578 176.117 -0.105 0.000 1.119 514 I CA 0.914 62.145 61.300 -0.115 0.000 1.417 514 I CB -0.171 37.828 38.000 -0.002 0.000 1.078 514 I HN 0.176 nan 8.210 nan 0.000 0.421 515 R N 0.694 121.174 120.500 -0.034 0.000 2.073 515 R HA -0.256 4.083 4.340 -0.001 0.000 0.234 515 R C 2.374 178.657 176.300 -0.028 0.000 1.134 515 R CA 1.916 58.002 56.100 -0.023 0.000 0.952 515 R CB -0.769 29.549 30.300 0.029 0.000 0.850 515 R HN 0.365 nan 8.270 nan 0.000 0.433 516 H N -0.261 118.744 119.070 -0.108 0.000 2.290 516 H HA -0.074 4.482 4.556 -0.001 0.000 0.298 516 H C 1.848 177.093 175.328 -0.139 0.000 1.087 516 H CA 2.665 58.652 56.048 -0.101 0.000 1.291 516 H CB -0.161 29.556 29.762 -0.074 0.000 1.369 516 H HN 0.192 nan 8.280 nan 0.000 0.492 517 M N -0.933 118.508 119.600 -0.265 0.000 2.149 517 M HA -0.197 4.282 4.480 -0.001 0.000 0.261 517 M C 2.645 178.811 176.300 -0.223 0.000 1.064 517 M CA 1.703 56.833 55.300 -0.284 0.000 1.102 517 M CB -0.309 32.112 32.600 -0.299 0.000 1.369 517 M HN 0.309 nan 8.290 nan 0.000 0.408 518 S N 0.803 116.381 115.700 -0.203 0.000 2.359 518 S HA -0.157 4.312 4.470 -0.001 0.000 0.224 518 S C 1.658 176.150 174.600 -0.179 0.000 1.035 518 S CA 1.672 59.748 58.200 -0.206 0.000 1.018 518 S CB -0.288 62.785 63.200 -0.212 0.000 0.876 518 S HN 0.450 nan 8.310 nan 0.000 0.448 519 N N 1.324 119.924 118.700 -0.166 0.000 2.166 519 N HA -0.017 4.722 4.740 -0.001 0.000 0.186 519 N C 1.669 177.099 175.510 -0.133 0.000 1.019 519 N CA 0.889 53.859 53.050 -0.134 0.000 0.856 519 N CB -0.315 38.108 38.487 -0.106 0.000 0.993 519 N HN 0.352 nan 8.380 nan 0.000 0.426 520 K N 0.593 120.879 120.400 -0.192 0.000 2.097 520 K HA 0.019 4.338 4.320 -0.001 0.000 0.205 520 K C 2.018 178.670 176.600 0.088 0.000 1.050 520 K CA 0.853 57.090 56.287 -0.083 0.000 0.938 520 K CB -0.865 31.553 32.500 -0.136 0.000 0.718 520 K HN 0.244 nan 8.250 nan 0.000 0.442 521 G N 1.540 110.337 108.800 -0.005 0.000 2.453 521 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.215 521 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.215 521 G C 1.505 176.436 174.900 0.051 0.000 1.201 521 G CA 0.822 45.936 45.100 0.023 0.000 0.784 521 G HN 0.125 nan 8.290 nan 0.000 0.545 522 M N 0.660 120.253 119.600 -0.012 0.000 2.195 522 M HA -0.081 4.399 4.480 -0.001 0.000 0.260 522 M C 2.197 178.506 176.300 0.015 0.000 1.066 522 M CA 1.260 56.566 55.300 0.010 0.000 1.089 522 M CB -1.104 31.485 32.600 -0.019 0.000 1.377 522 M HN 0.492 nan 8.290 nan 0.000 0.411 523 E N -0.455 119.735 120.200 -0.017 0.000 2.077 523 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 523 E C 1.873 178.383 176.600 -0.149 0.000 0.989 523 E CA 1.046 57.384 56.400 -0.102 0.000 0.800 523 E CB 0.074 29.666 29.700 -0.180 0.000 0.746 523 E HN 0.591 nan 8.360 nan 0.000 0.452 524 H N -0.259 118.804 119.070 -0.011 0.000 2.512 524 H HA -0.001 4.555 4.556 -0.001 0.000 0.279 524 H C 2.257 177.592 175.328 0.011 0.000 0.999 524 H CA 0.528 56.575 56.048 -0.000 0.000 1.283 524 H CB 0.268 30.029 29.762 -0.003 0.000 1.421 524 H HN 0.246 nan 8.280 nan 0.000 0.554 525 L N 0.604 121.902 121.223 0.125 0.000 2.046 525 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 525 L C 2.768 179.678 176.870 0.067 0.000 1.077 525 L CA 1.638 56.536 54.840 0.097 0.000 0.747 525 L CB -0.533 41.591 42.059 0.108 0.000 0.896 525 L HN 0.373 nan 8.230 nan 0.000 0.432 526 Y N -1.927 118.399 120.300 0.044 0.000 2.529 526 Y HA 0.320 4.869 4.550 -0.001 0.000 0.290 526 Y C 2.137 178.043 175.900 0.011 0.000 1.177 526 Y CA 0.792 58.907 58.100 0.026 0.000 1.305 526 Y CB -1.001 37.469 38.460 0.017 0.000 1.047 526 Y HN 0.459 nan 8.280 nan 0.000 0.522 527 S N -1.112 114.596 115.700 0.013 0.000 2.523 527 S HA 0.600 5.069 4.470 -0.001 0.000 0.217 527 S C 0.913 175.532 174.600 0.030 0.000 0.996 527 S CA 0.844 59.046 58.200 0.003 0.000 0.921 527 S CB -0.315 62.863 63.200 -0.037 0.000 0.829 527 S HN 1.135 nan 8.310 nan 0.000 0.495 534 V N 2.665 122.595 119.914 0.027 0.000 2.988 534 V HA -0.082 4.038 4.120 -0.001 0.000 0.272 534 V C -1.548 174.467 176.094 -0.132 0.000 1.539 534 V CA 0.203 62.505 62.300 0.003 0.000 1.508 534 V CB -0.001 31.919 31.823 0.163 0.000 0.887 534 V HN 0.508 nan 8.190 nan 0.000 0.522 535 P HA 0.036 nan 4.420 nan 0.000 0.255 535 P C 0.002 177.192 177.300 -0.184 0.000 1.173 535 P CA 0.426 63.293 63.100 -0.389 0.000 0.780 535 P CB 0.078 31.305 31.700 -0.788 0.000 0.758 536 S N 3.071 118.716 115.700 -0.092 0.000 2.624 536 S HA 0.083 4.552 4.470 -0.001 0.000 0.263 536 S C 0.990 175.613 174.600 0.037 0.000 1.287 536 S CA -0.388 57.816 58.200 0.007 0.000 0.990 536 S CB 0.284 63.500 63.200 0.028 0.000 0.950 536 S HN 0.440 nan 8.310 nan 0.000 0.561 537 Y N 1.236 121.531 120.300 -0.007 0.000 2.145 537 Y HA -0.147 4.402 4.550 -0.001 0.000 0.286 537 Y C 1.639 177.541 175.900 0.005 0.000 1.145 537 Y CA 2.436 60.541 58.100 0.008 0.000 1.148 537 Y CB -0.728 37.753 38.460 0.035 0.000 0.981 537 Y HN 0.737 nan 8.280 nan 0.000 0.507 538 D N 0.210 120.742 120.400 0.219 0.000 2.104 538 D HA -0.209 4.431 4.640 -0.001 0.000 0.194 538 D C 2.123 178.417 176.300 -0.009 0.000 0.994 538 D CA 1.544 55.616 54.000 0.120 0.000 0.830 538 D CB -0.742 40.128 40.800 0.116 0.000 0.959 538 D HN 0.381 nan 8.370 nan 0.000 0.452 539 L N 0.528 121.735 121.223 -0.026 0.000 1.990 539 L HA -0.149 4.191 4.340 -0.001 0.000 0.213 539 L C 2.018 178.830 176.870 -0.096 0.000 1.072 539 L CA 1.599 56.402 54.840 -0.062 0.000 0.755 539 L CB -0.640 41.371 42.059 -0.080 0.000 0.889 539 L HN 0.080 nan 8.230 nan 0.000 0.432 540 L N -1.373 119.769 121.223 -0.136 0.000 2.131 540 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 540 L C 2.432 179.204 176.870 -0.163 0.000 1.092 540 L CA 0.790 55.538 54.840 -0.153 0.000 0.759 540 L CB -0.641 41.312 42.059 -0.177 0.000 0.903 540 L HN 0.376 nan 8.230 nan 0.000 0.435 541 L N 0.536 121.626 121.223 -0.221 0.000 2.044 541 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 541 L C 2.824 179.646 176.870 -0.081 0.000 1.075 541 L CA 2.406 57.135 54.840 -0.185 0.000 0.747 541 L CB -0.996 40.939 42.059 -0.206 0.000 0.903 541 L HN 0.264 nan 8.230 nan 0.000 0.435 542 E N -0.366 119.799 120.200 -0.059 0.000 2.058 542 E HA -0.284 4.065 4.350 -0.001 0.000 0.194 542 E C 2.049 178.628 176.600 -0.035 0.000 0.997 542 E CA 2.213 58.594 56.400 -0.033 0.000 0.801 542 E CB -0.967 28.718 29.700 -0.025 0.000 0.746 542 E HN 0.678 nan 8.360 nan 0.000 0.450 543 M N -0.415 119.157 119.600 -0.046 0.000 2.374 543 M HA 0.091 4.571 4.480 -0.001 0.000 0.264 543 M C 2.514 178.798 176.300 -0.026 0.000 1.067 543 M CA 0.839 56.114 55.300 -0.041 0.000 1.103 543 M CB -0.073 32.496 32.600 -0.052 0.000 1.402 543 M HN 0.258 nan 8.290 nan 0.000 0.444 544 L N -0.309 120.899 121.223 -0.025 0.000 2.109 544 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 544 L C 0.121 176.991 176.870 -0.000 0.000 1.086 544 L CA 0.584 55.424 54.840 -0.001 0.000 0.760 544 L CB -0.270 41.787 42.059 -0.003 0.000 0.910 544 L HN 0.155 nan 8.230 nan 0.000 0.437 545 D N 1.103 121.497 120.400 -0.010 0.000 2.359 545 D HA 0.456 5.095 4.640 -0.001 0.000 0.250 545 D C -0.043 176.254 176.300 -0.005 0.000 1.264 545 D CA 0.420 54.417 54.000 -0.005 0.000 0.911 545 D CB 0.933 41.730 40.800 -0.005 0.000 1.056 545 D HN 0.235 nan 8.370 nan 0.000 0.499 546 A N 0.000 122.819 122.820 -0.002 0.000 2.254 546 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 546 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 546 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 546 A HN 0.000 nan 8.150 nan 0.000 0.486