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 3osa_1_A DATA FIRST_RESID 306 DATA SEQUENCE LALSLTADQM VSALLDAEPP ILYSEYDPTR PFSEASMMGL LTNLADRELV DATA SEQUENCE HMINWAKRVP GFVDLTRHDQ VHLLECAWLE ILMIGLVWRS MEHPGKLLFA DATA SEQUENCE PNLLLDRNQG KXVEGMVEIF DMLLATSSRF RMMNLQGEEF VCLKSIILLN DATA SEQUENCE SGVYTFLSST LKSLEEKDHI HRVLDKITDT LIHLMAKAGL TLQQQHQRLA DATA SEQUENCE QLLLILSHIR HMSNKGMEHL YSMKCXNVVP SYDLLLEMLD A 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 306 L HA 0.000 nan 4.340 nan 0.000 0.249 306 L C 0.000 176.883 176.870 0.022 0.000 1.165 306 L CA 0.000 54.847 54.840 0.012 0.000 0.813 306 L CB 0.000 42.068 42.059 0.015 0.000 0.961 307 A N -0.752 122.095 122.820 0.045 0.000 1.929 307 A HA 0.197 4.516 4.320 -0.001 0.000 0.216 307 A C 1.795 179.390 177.584 0.018 0.000 1.176 307 A CA 1.744 53.801 52.037 0.034 0.000 0.628 307 A CB -0.506 18.524 19.000 0.052 0.000 0.816 307 A HN 1.205 nan 8.150 nan 0.000 0.444 308 L N -0.211 121.034 121.223 0.036 0.000 2.549 308 L HA -0.062 4.277 4.340 -0.001 0.000 0.229 308 L C 2.106 178.979 176.870 0.005 0.000 1.158 308 L CA 0.819 55.669 54.840 0.015 0.000 0.842 308 L CB -0.218 41.863 42.059 0.037 0.000 0.952 308 L HN 0.289 nan 8.230 nan 0.000 0.452 309 S N -0.727 114.976 115.700 0.004 0.000 2.503 309 S HA 0.203 4.673 4.470 -0.001 0.000 0.217 309 S C 0.927 175.519 174.600 -0.013 0.000 0.999 309 S CA -0.298 57.900 58.200 -0.003 0.000 0.914 309 S CB 0.166 63.365 63.200 -0.001 0.000 0.782 309 S HN 0.171 nan 8.310 nan 0.000 0.520 310 L N 3.318 124.531 121.223 -0.016 0.000 2.525 310 L HA 0.048 4.387 4.340 -0.001 0.000 0.278 310 L C 1.370 178.215 176.870 -0.042 0.000 1.218 310 L CA -0.120 54.703 54.840 -0.027 0.000 0.878 310 L CB -0.005 42.038 42.059 -0.027 0.000 1.127 310 L HN 0.297 nan 8.230 nan 0.000 0.492 311 T N 0.053 114.575 114.554 -0.054 0.000 2.667 311 T HA 0.212 4.562 4.350 -0.001 0.000 0.305 311 T C 1.231 175.862 174.700 -0.116 0.000 1.022 311 T CA -0.060 61.987 62.100 -0.088 0.000 0.995 311 T CB 1.063 69.871 68.868 -0.098 0.000 1.026 311 T HN 0.650 nan 8.240 nan 0.000 0.527 312 A N 0.370 123.069 122.820 -0.201 0.000 1.898 312 A HA -0.030 4.290 4.320 -0.001 0.000 0.216 312 A C 2.112 179.596 177.584 -0.166 0.000 1.181 312 A CA 1.498 53.405 52.037 -0.216 0.000 0.620 312 A CB -1.000 17.768 19.000 -0.386 0.000 0.819 312 A HN 0.898 nan 8.150 nan 0.000 0.442 313 D N -0.405 119.876 120.400 -0.198 0.000 2.178 313 D HA -0.129 4.511 4.640 -0.001 0.000 0.201 313 D C 2.099 178.375 176.300 -0.040 0.000 0.980 313 D CA 1.269 55.224 54.000 -0.076 0.000 0.842 313 D CB -0.259 40.510 40.800 -0.052 0.000 0.948 313 D HN 0.626 nan 8.370 nan 0.000 0.472 314 Q N -0.567 119.202 119.800 -0.051 0.000 2.245 314 Q HA -0.023 4.316 4.340 -0.001 0.000 0.201 314 Q C 1.974 177.957 176.000 -0.027 0.000 0.955 314 Q CA 0.498 56.282 55.803 -0.031 0.000 0.870 314 Q CB 0.046 28.766 28.738 -0.031 0.000 0.945 314 Q HN 0.165 nan 8.270 nan 0.000 0.461 315 M N -0.033 119.545 119.600 -0.037 0.000 2.156 315 M HA -0.108 4.372 4.480 -0.001 0.000 0.264 315 M C 1.839 178.127 176.300 -0.019 0.000 1.067 315 M CA 1.355 56.637 55.300 -0.031 0.000 1.131 315 M CB -0.055 32.523 32.600 -0.037 0.000 1.368 315 M HN -0.032 nan 8.290 nan 0.000 0.416 316 V N -0.244 119.663 119.914 -0.012 0.000 2.343 316 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 316 V C 2.337 178.435 176.094 0.007 0.000 1.051 316 V CA 2.108 64.409 62.300 0.002 0.000 1.036 316 V CB -1.184 30.651 31.823 0.019 0.000 0.654 316 V HN 0.551 nan 8.190 nan 0.000 0.451 317 S N 0.357 116.062 115.700 0.007 0.000 2.359 317 S HA -0.207 4.263 4.470 -0.001 0.000 0.224 317 S C 2.234 176.841 174.600 0.013 0.000 1.035 317 S CA 1.533 59.740 58.200 0.012 0.000 1.018 317 S CB -0.579 62.626 63.200 0.008 0.000 0.876 317 S HN 0.665 nan 8.310 nan 0.000 0.448 318 A N 1.322 124.144 122.820 0.003 0.000 1.902 318 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 318 A C 2.140 179.731 177.584 0.011 0.000 1.181 318 A CA 1.145 53.183 52.037 0.001 0.000 0.623 318 A CB -0.693 18.298 19.000 -0.015 0.000 0.818 318 A HN 0.448 nan 8.150 nan 0.000 0.443 319 L N -0.789 120.441 121.223 0.012 0.000 2.056 319 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 319 L C 2.591 179.506 176.870 0.075 0.000 1.078 319 L CA 0.886 55.751 54.840 0.041 0.000 0.749 319 L CB -0.571 41.499 42.059 0.018 0.000 0.901 319 L HN 0.371 nan 8.230 nan 0.000 0.433 320 L N -0.286 120.964 121.223 0.046 0.000 1.989 320 L HA -0.263 4.077 4.340 -0.001 0.000 0.211 320 L C 2.294 179.204 176.870 0.068 0.000 1.071 320 L CA 1.306 56.177 54.840 0.052 0.000 0.749 320 L CB -0.735 41.347 42.059 0.038 0.000 0.890 320 L HN 0.291 nan 8.230 nan 0.000 0.431 321 D N 0.200 120.634 120.400 0.057 0.000 2.190 321 D HA -0.194 4.445 4.640 -0.001 0.000 0.200 321 D C 2.084 178.436 176.300 0.087 0.000 0.992 321 D CA 1.526 55.562 54.000 0.060 0.000 0.854 321 D CB -0.052 40.773 40.800 0.041 0.000 0.936 321 D HN 0.380 nan 8.370 nan 0.000 0.462 322 A N 0.679 123.568 122.820 0.115 0.000 2.067 322 A HA -0.081 4.239 4.320 -0.001 0.000 0.217 322 A C 0.944 178.716 177.584 0.313 0.000 1.156 322 A CA 0.194 52.341 52.037 0.183 0.000 0.683 322 A CB -0.071 19.006 19.000 0.129 0.000 0.808 322 A HN -0.053 nan 8.150 nan 0.000 0.455 323 E N 1.393 121.730 120.200 0.228 0.000 3.056 323 E HA -0.027 4.323 4.350 -0.001 0.000 0.264 323 E C -2.045 174.611 176.600 0.093 0.000 0.899 323 E CA -0.441 56.032 56.400 0.123 0.000 0.966 323 E CB 0.155 29.897 29.700 0.070 0.000 0.913 323 E HN 0.418 nan 8.360 nan 0.000 0.522 324 P HA 0.302 nan 4.420 nan 0.000 0.276 324 P C -2.472 174.809 177.300 -0.032 0.000 1.261 324 P CA -1.232 61.882 63.100 0.022 0.000 0.800 324 P CB -0.161 31.519 31.700 -0.034 0.000 1.066 325 P HA 0.381 nan 4.420 nan 0.000 0.279 325 P C -0.238 176.974 177.300 -0.147 0.000 1.252 325 P CA -0.450 62.584 63.100 -0.111 0.000 0.811 325 P CB 0.576 32.181 31.700 -0.158 0.000 1.035 326 I N 1.405 121.906 120.570 -0.115 0.000 2.471 326 I HA 0.156 4.326 4.170 -0.001 0.000 0.286 326 I C 0.566 176.569 176.117 -0.190 0.000 1.079 326 I CA -0.278 60.931 61.300 -0.153 0.000 1.398 326 I CB -0.021 37.880 38.000 -0.165 0.000 1.403 326 I HN 0.064 nan 8.210 nan 0.000 0.530 327 L N 6.200 127.317 121.223 -0.177 0.000 2.352 327 L HA 0.446 4.785 4.340 -0.001 0.000 0.269 327 L C -0.706 176.067 176.870 -0.162 0.000 1.034 327 L CA -0.860 53.919 54.840 -0.101 0.000 0.806 327 L CB 0.884 42.920 42.059 -0.038 0.000 1.244 327 L HN 0.372 nan 8.230 nan 0.000 0.447 328 Y N -0.135 120.179 120.300 0.022 0.000 2.376 328 Y HA 0.217 4.767 4.550 -0.001 0.000 0.325 328 Y C 0.784 176.714 175.900 0.049 0.000 1.199 328 Y CA 0.033 58.159 58.100 0.044 0.000 1.206 328 Y CB 1.724 40.225 38.460 0.068 0.000 1.229 328 Y HN 0.492 nan 8.280 nan 0.000 0.480 329 S N 1.546 117.359 115.700 0.189 0.000 2.585 329 S HA 0.350 4.820 4.470 -0.001 0.000 0.273 329 S C 0.017 174.704 174.600 0.145 0.000 1.339 329 S CA -0.361 57.913 58.200 0.122 0.000 1.028 329 S CB 0.210 63.459 63.200 0.081 0.000 0.906 329 S HN 0.767 nan 8.310 nan 0.000 0.528 330 E N 2.721 122.984 120.200 0.105 0.000 2.694 330 E HA 0.032 4.381 4.350 -0.001 0.000 0.250 330 E C -0.432 176.251 176.600 0.138 0.000 0.963 330 E CA 0.357 56.827 56.400 0.116 0.000 0.949 330 E CB -0.495 29.254 29.700 0.082 0.000 0.911 330 E HN 0.638 nan 8.360 nan 0.000 0.500 331 Y N 2.457 122.794 120.300 0.061 0.000 2.511 331 Y HA 0.272 4.822 4.550 -0.001 0.000 0.332 331 Y C 0.894 176.824 175.900 0.050 0.000 1.177 331 Y CA 0.861 58.993 58.100 0.053 0.000 1.422 331 Y CB 0.880 39.349 38.460 0.015 0.000 1.271 331 Y HN 0.861 nan 8.280 nan 0.000 0.550 332 D N 4.571 124.725 120.400 -0.410 0.000 2.812 332 D HA -0.142 4.497 4.640 -0.001 0.000 0.237 332 D C -2.621 173.680 176.300 0.002 0.000 1.162 332 D CA 0.007 53.895 54.000 -0.187 0.000 0.740 332 D CB -0.389 40.481 40.800 0.118 0.000 1.000 332 D HN 0.406 nan 8.370 nan 0.000 0.416 333 P HA 0.267 nan 4.420 nan 0.000 0.276 333 P C -0.250 177.062 177.300 0.021 0.000 1.261 333 P CA -0.490 62.661 63.100 0.084 0.000 0.800 333 P CB 0.554 32.390 31.700 0.227 0.000 1.066 334 T N 2.665 117.237 114.554 0.030 0.000 2.871 334 T HA 0.102 4.451 4.350 -0.001 0.000 0.296 334 T C 0.383 174.985 174.700 -0.164 0.000 0.998 334 T CA 0.239 62.319 62.100 -0.034 0.000 1.162 334 T CB -0.304 68.564 68.868 0.000 0.000 0.947 334 T HN 0.184 nan 8.240 nan 0.000 0.536 335 R N 3.297 123.643 120.500 -0.257 0.000 2.711 335 R HA 0.449 4.789 4.340 -0.001 0.000 0.284 335 R C -2.179 173.976 176.300 -0.242 0.000 0.968 335 R CA -1.790 54.046 56.100 -0.440 0.000 0.924 335 R CB 0.974 30.983 30.300 -0.485 0.000 1.162 335 R HN 0.478 nan 8.270 nan 0.000 0.465 336 P HA 0.148 nan 4.420 nan 0.000 0.271 336 P C -0.647 176.500 177.300 -0.255 0.000 1.244 336 P CA -0.152 62.783 63.100 -0.276 0.000 0.793 336 P CB 0.310 31.938 31.700 -0.120 0.000 0.984 337 F N -0.545 119.389 119.950 -0.028 0.000 2.377 337 F HA 0.362 4.888 4.527 -0.001 0.000 0.328 337 F C 1.403 177.187 175.800 -0.025 0.000 1.094 337 F CA -0.366 57.616 58.000 -0.029 0.000 1.093 337 F CB 0.654 39.631 39.000 -0.039 0.000 1.214 337 F HN 0.259 nan 8.300 nan 0.000 0.518 338 S N 0.326 116.144 115.700 0.197 0.000 2.758 338 S HA 0.581 5.050 4.470 -0.001 0.000 0.292 338 S C 0.908 175.551 174.600 0.070 0.000 1.131 338 S CA -0.048 58.212 58.200 0.100 0.000 0.997 338 S CB 1.083 64.322 63.200 0.064 0.000 1.111 338 S HN 0.681 nan 8.310 nan 0.000 0.552 339 E N 0.254 120.477 120.200 0.038 0.000 2.072 339 E HA 0.093 4.443 4.350 -0.001 0.000 0.191 339 E C 2.217 178.820 176.600 0.005 0.000 0.985 339 E CA 1.587 57.998 56.400 0.018 0.000 0.801 339 E CB -1.355 28.362 29.700 0.029 0.000 0.750 339 E HN 0.970 nan 8.360 nan 0.000 0.452 340 A N 1.097 123.925 122.820 0.013 0.000 1.970 340 A HA 0.032 4.352 4.320 -0.001 0.000 0.216 340 A C 2.699 180.276 177.584 -0.011 0.000 1.170 340 A CA 2.147 54.186 52.037 0.004 0.000 0.645 340 A CB -0.422 18.584 19.000 0.011 0.000 0.816 340 A HN 0.712 nan 8.150 nan 0.000 0.447 341 S N -0.460 115.245 115.700 0.008 0.000 2.355 341 S HA -0.189 4.281 4.470 -0.001 0.000 0.222 341 S C 2.118 176.658 174.600 -0.099 0.000 1.031 341 S CA 1.555 59.765 58.200 0.018 0.000 0.993 341 S CB -0.578 62.699 63.200 0.128 0.000 0.859 341 S HN 0.482 nan 8.310 nan 0.000 0.453 342 M N 0.346 119.822 119.600 -0.207 0.000 2.065 342 M HA -0.090 4.389 4.480 -0.001 0.000 0.259 342 M C 2.252 178.385 176.300 -0.279 0.000 1.069 342 M CA 1.777 56.805 55.300 -0.452 0.000 1.110 342 M CB -0.325 31.997 32.600 -0.465 0.000 1.328 342 M HN 0.338 nan 8.290 nan 0.000 0.405 343 M N -0.537 118.973 119.600 -0.150 0.000 2.202 343 M HA -0.115 4.365 4.480 -0.001 0.000 0.262 343 M C 2.211 178.466 176.300 -0.076 0.000 1.063 343 M CA 1.678 56.925 55.300 -0.088 0.000 1.097 343 M CB -1.851 30.740 32.600 -0.014 0.000 1.382 343 M HN 0.436 nan 8.290 nan 0.000 0.413 344 G N -0.027 108.732 108.800 -0.068 0.000 2.422 344 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.218 344 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.218 344 G C 1.676 176.541 174.900 -0.057 0.000 1.146 344 G CA 0.387 45.460 45.100 -0.044 0.000 0.769 344 G HN 0.402 nan 8.290 nan 0.000 0.547 345 L N -0.351 120.809 121.223 -0.106 0.000 2.131 345 L HA 0.127 4.467 4.340 -0.001 0.000 0.206 345 L C 2.848 179.650 176.870 -0.114 0.000 1.087 345 L CA 0.324 55.097 54.840 -0.111 0.000 0.767 345 L CB -0.314 41.632 42.059 -0.189 0.000 0.917 345 L HN 0.172 nan 8.230 nan 0.000 0.441 346 L N -0.878 120.249 121.223 -0.160 0.000 2.056 346 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 346 L C 2.630 179.482 176.870 -0.030 0.000 1.078 346 L CA 1.305 56.068 54.840 -0.129 0.000 0.749 346 L CB -0.705 41.247 42.059 -0.179 0.000 0.901 346 L HN 0.217 nan 8.230 nan 0.000 0.433 347 T N -0.508 114.029 114.554 -0.028 0.000 2.708 347 T HA -0.209 4.140 4.350 -0.001 0.000 0.266 347 T C 1.793 176.487 174.700 -0.010 0.000 1.037 347 T CA 1.655 63.751 62.100 -0.006 0.000 1.146 347 T CB -0.338 68.520 68.868 -0.017 0.000 0.865 347 T HN 0.368 nan 8.240 nan 0.000 0.435 348 N N 0.972 119.665 118.700 -0.013 0.000 2.069 348 N HA -0.126 4.614 4.740 -0.001 0.000 0.191 348 N C 2.087 177.605 175.510 0.015 0.000 1.031 348 N CA 1.264 54.313 53.050 -0.000 0.000 0.852 348 N CB -0.308 38.183 38.487 0.006 0.000 1.018 348 N HN 0.244 nan 8.380 nan 0.000 0.423 349 L N 1.508 122.742 121.223 0.019 0.000 2.012 349 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 349 L C 2.479 179.379 176.870 0.050 0.000 1.073 349 L CA 2.049 56.913 54.840 0.040 0.000 0.748 349 L CB -1.069 41.014 42.059 0.041 0.000 0.891 349 L HN 0.240 nan 8.230 nan 0.000 0.431 350 A N -0.712 122.141 122.820 0.054 0.000 1.877 350 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 350 A C 1.967 179.560 177.584 0.015 0.000 1.186 350 A CA 1.861 53.942 52.037 0.074 0.000 0.620 350 A CB -0.960 18.117 19.000 0.129 0.000 0.822 350 A HN 0.536 nan 8.150 nan 0.000 0.443 351 D N -0.469 119.916 120.400 -0.025 0.000 2.133 351 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 351 D C 2.130 178.425 176.300 -0.007 0.000 0.997 351 D CA 1.376 55.343 54.000 -0.056 0.000 0.840 351 D CB -0.336 40.433 40.800 -0.051 0.000 0.947 351 D HN 0.462 nan 8.370 nan 0.000 0.452 352 R N 0.310 120.832 120.500 0.036 0.000 2.090 352 R HA -0.014 4.325 4.340 -0.001 0.000 0.228 352 R C 2.173 178.574 176.300 0.167 0.000 1.110 352 R CA 0.764 56.919 56.100 0.090 0.000 0.973 352 R CB -0.032 30.326 30.300 0.096 0.000 0.869 352 R HN 0.310 nan 8.270 nan 0.000 0.440 353 E N 0.510 120.783 120.200 0.122 0.000 2.150 353 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 353 E C 1.810 178.493 176.600 0.139 0.000 0.985 353 E CA 0.584 57.069 56.400 0.141 0.000 0.814 353 E CB -0.017 29.731 29.700 0.080 0.000 0.752 353 E HN 0.061 nan 8.360 nan 0.000 0.466 354 L N 0.754 122.014 121.223 0.062 0.000 1.997 354 L HA -0.256 4.084 4.340 -0.001 0.000 0.216 354 L C 2.292 179.175 176.870 0.022 0.000 1.074 354 L CA 1.588 56.434 54.840 0.010 0.000 0.763 354 L CB -0.732 41.271 42.059 -0.092 0.000 0.890 354 L HN 0.003 nan 8.230 nan 0.000 0.434 355 V N -0.626 119.284 119.914 -0.006 0.000 2.282 355 V HA -0.373 3.747 4.120 -0.001 0.000 0.249 355 V C 2.497 178.528 176.094 -0.106 0.000 1.057 355 V CA 2.150 64.394 62.300 -0.092 0.000 1.032 355 V CB -1.083 30.636 31.823 -0.174 0.000 0.645 355 V HN 0.563 nan 8.190 nan 0.000 0.447 356 H N -1.107 117.985 119.070 0.038 0.000 2.491 356 H HA -0.035 4.520 4.556 -0.001 0.000 0.290 356 H C 2.196 177.587 175.328 0.105 0.000 1.050 356 H CA 1.720 57.804 56.048 0.060 0.000 1.309 356 H CB -0.003 29.785 29.762 0.044 0.000 1.392 356 H HN 0.412 nan 8.280 nan 0.000 0.554 357 M N 0.509 120.234 119.600 0.208 0.000 2.288 357 M HA -0.110 4.369 4.480 -0.001 0.000 0.266 357 M C 1.542 178.002 176.300 0.266 0.000 1.072 357 M CA 0.916 56.371 55.300 0.259 0.000 1.132 357 M CB 0.154 32.863 32.600 0.181 0.000 1.386 357 M HN 0.038 nan 8.290 nan 0.000 0.432 358 I N 1.438 122.079 120.570 0.119 0.000 2.179 358 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 358 I C 1.914 178.049 176.117 0.029 0.000 1.088 358 I CA 1.337 62.661 61.300 0.040 0.000 1.357 358 I CB -2.206 35.801 38.000 0.013 0.000 1.051 358 I HN 0.344 nan 8.210 nan 0.000 0.409 359 N N -0.015 118.722 118.700 0.063 0.000 2.104 359 N HA -0.245 4.495 4.740 -0.001 0.000 0.190 359 N C 1.675 177.237 175.510 0.086 0.000 1.024 359 N CA 1.294 54.381 53.050 0.061 0.000 0.853 359 N CB -0.621 37.911 38.487 0.076 0.000 1.008 359 N HN 0.584 nan 8.380 nan 0.000 0.424 360 W N 1.857 123.132 121.300 -0.041 0.000 2.379 360 W HA 0.044 4.704 4.660 -0.001 0.000 0.307 360 W C 2.272 178.705 176.519 -0.143 0.000 1.200 360 W CA 1.954 59.259 57.345 -0.066 0.000 1.297 360 W CB -0.528 28.900 29.460 -0.054 0.000 1.140 360 W HN 0.048 nan 8.180 nan 0.000 0.507 361 A N 1.204 123.743 122.820 -0.469 0.000 1.883 361 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 361 A C 1.946 179.056 177.584 -0.790 0.000 1.186 361 A CA 2.126 53.501 52.037 -1.103 0.000 0.624 361 A CB -0.856 17.508 19.000 -1.060 0.000 0.822 361 A HN 0.418 nan 8.150 nan 0.000 0.444 362 K N -0.596 119.622 120.400 -0.303 0.000 2.360 362 K HA -0.109 4.211 4.320 -0.001 0.000 0.201 362 K C 1.430 177.985 176.600 -0.075 0.000 1.046 362 K CA 1.187 57.462 56.287 -0.020 0.000 0.940 362 K CB -0.128 32.390 32.500 0.030 0.000 0.748 362 K HN 0.437 nan 8.250 nan 0.000 0.465 363 R N 0.648 121.030 120.500 -0.197 0.000 2.393 363 R HA 0.126 4.465 4.340 -0.001 0.000 0.244 363 R C -0.228 175.930 176.300 -0.237 0.000 0.920 363 R CA -0.169 55.837 56.100 -0.156 0.000 1.076 363 R CB 0.625 30.867 30.300 -0.096 0.000 1.119 363 R HN -0.116 nan 8.270 nan 0.000 0.524 364 V N 3.933 123.614 119.914 -0.388 0.000 2.439 364 V HA 0.111 4.230 4.120 -0.001 0.000 0.271 364 V C -2.061 173.953 176.094 -0.133 0.000 1.040 364 V CA -1.771 60.312 62.300 -0.361 0.000 1.002 364 V CB 0.765 32.225 31.823 -0.605 0.000 1.000 364 V HN -0.025 nan 8.190 nan 0.000 0.477 365 P HA 0.103 nan 4.420 nan 0.000 0.258 365 P C 1.020 178.325 177.300 0.008 0.000 1.172 365 P CA 1.700 64.783 63.100 -0.029 0.000 0.762 365 P CB 0.249 31.929 31.700 -0.034 0.000 0.764 366 G N 2.853 111.692 108.800 0.065 0.000 2.254 366 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.225 366 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.225 366 G C 0.887 175.890 174.900 0.171 0.000 1.003 366 G CA 0.106 45.303 45.100 0.162 0.000 0.622 366 G HN 0.468 nan 8.290 nan 0.000 0.507 367 F N 2.352 122.277 119.950 -0.042 0.000 2.095 367 F HA -0.084 4.443 4.527 -0.001 0.000 0.298 367 F C 2.850 178.629 175.800 -0.036 0.000 1.104 367 F CA 3.283 61.245 58.000 -0.063 0.000 1.232 367 F CB -0.322 38.583 39.000 -0.158 0.000 0.987 367 F HN 0.493 nan 8.300 nan 0.000 0.475 368 V N -2.318 117.616 119.914 0.033 0.000 2.759 368 V HA -0.198 3.921 4.120 -0.001 0.000 0.256 368 V C 1.587 177.608 176.094 -0.121 0.000 1.080 368 V CA 2.024 64.293 62.300 -0.052 0.000 1.101 368 V CB -1.011 30.813 31.823 0.002 0.000 0.698 368 V HN 0.213 nan 8.190 nan 0.000 0.477 369 D N 0.850 121.183 120.400 -0.112 0.000 2.378 369 D HA 0.101 4.741 4.640 -0.001 0.000 0.222 369 D C 0.833 176.990 176.300 -0.238 0.000 0.980 369 D CA 0.602 54.487 54.000 -0.191 0.000 0.907 369 D CB -0.195 40.427 40.800 -0.296 0.000 0.899 369 D HN 0.461 nan 8.370 nan 0.000 0.527 370 L N 0.942 122.020 121.223 -0.241 0.000 2.375 370 L HA 0.153 4.492 4.340 -0.001 0.000 0.271 370 L C 1.291 178.036 176.870 -0.209 0.000 1.107 370 L CA -0.654 54.038 54.840 -0.248 0.000 0.806 370 L CB 0.984 42.843 42.059 -0.333 0.000 1.146 370 L HN -0.061 nan 8.230 nan 0.000 0.447 371 T N -0.854 113.607 114.554 -0.155 0.000 2.855 371 T HA 0.099 4.449 4.350 -0.001 0.000 0.314 371 T C 1.389 176.039 174.700 -0.083 0.000 1.077 371 T CA 0.258 62.303 62.100 -0.092 0.000 1.095 371 T CB 0.909 69.751 68.868 -0.043 0.000 0.987 371 T HN 0.765 nan 8.240 nan 0.000 0.546 372 R N 0.630 121.108 120.500 -0.037 0.000 2.091 372 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 372 R C 2.331 178.641 176.300 0.017 0.000 1.136 372 R CA 2.725 58.807 56.100 -0.029 0.000 0.959 372 R CB -2.309 nan 30.300 nan 0.000 0.856 372 R HN 1.049 nan 8.270 nan 0.000 0.437 373 H N 1.090 120.175 119.070 0.026 0.000 2.353 373 H HA -0.111 4.444 4.556 -0.001 0.000 0.298 373 H C 1.335 176.765 175.328 0.171 0.000 1.103 373 H CA 2.159 58.291 56.048 0.140 0.000 1.293 373 H CB 0.010 29.857 29.762 0.140 0.000 1.372 373 H HN 0.559 nan 8.280 nan 0.000 0.501 374 D N -0.135 120.308 120.400 0.071 0.000 2.194 374 D HA -0.100 4.539 4.640 -0.001 0.000 0.204 374 D C 2.124 178.461 176.300 0.062 0.000 0.964 374 D CA 0.782 54.865 54.000 0.138 0.000 0.846 374 D CB -0.197 40.634 40.800 0.050 0.000 0.962 374 D HN 0.595 nan 8.370 nan 0.000 0.490 375 Q N 0.193 119.916 119.800 -0.128 0.000 2.124 375 Q HA -0.072 4.268 4.340 -0.001 0.000 0.202 375 Q C 2.263 178.338 176.000 0.125 0.000 0.977 375 Q CA 0.720 56.389 55.803 -0.223 0.000 0.850 375 Q CB 0.181 28.651 28.738 -0.446 0.000 0.901 375 Q HN 0.144 nan 8.270 nan 0.000 0.429 376 V N -0.008 119.911 119.914 0.008 0.000 2.323 376 V HA -0.255 3.865 4.120 -0.001 0.000 0.244 376 V C 2.111 178.247 176.094 0.070 0.000 1.041 376 V CA 2.158 64.431 62.300 -0.045 0.000 1.025 376 V CB -0.587 31.007 31.823 -0.382 0.000 0.656 376 V HN 0.422 nan 8.190 nan 0.000 0.451 377 H N 0.149 119.212 119.070 -0.011 0.000 2.387 377 H HA -0.149 4.407 4.556 -0.001 0.000 0.299 377 H C 1.998 177.368 175.328 0.070 0.000 1.099 377 H CA 1.942 58.017 56.048 0.046 0.000 1.315 377 H CB -0.261 29.491 29.762 -0.018 0.000 1.380 377 H HN 0.326 nan 8.280 nan 0.000 0.513 378 L N -0.496 120.755 121.223 0.047 0.000 2.093 378 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 378 L C 2.376 179.293 176.870 0.078 0.000 1.085 378 L CA 0.953 55.808 54.840 0.025 0.000 0.755 378 L CB -0.295 41.903 42.059 0.232 0.000 0.904 378 L HN 0.325 nan 8.230 nan 0.000 0.435 379 L N -0.923 120.395 121.223 0.158 0.000 2.095 379 L HA -0.122 4.218 4.340 -0.001 0.000 0.204 379 L C 2.511 179.527 176.870 0.242 0.000 1.080 379 L CA 0.798 55.746 54.840 0.181 0.000 0.759 379 L CB -0.379 41.781 42.059 0.167 0.000 0.914 379 L HN 0.196 nan 8.230 nan 0.000 0.439 380 E N -0.401 119.917 120.200 0.197 0.000 2.065 380 E HA -0.316 4.033 4.350 -0.001 0.000 0.201 380 E C 2.251 179.014 176.600 0.273 0.000 1.016 380 E CA 2.041 58.607 56.400 0.277 0.000 0.818 380 E CB -0.148 29.668 29.700 0.194 0.000 0.749 380 E HN 0.546 nan 8.360 nan 0.000 0.453 381 C N -0.540 118.786 119.300 0.044 0.000 2.467 381 C HA 0.058 4.518 4.460 -0.001 0.000 0.279 381 C C 2.501 177.450 174.990 -0.069 0.000 1.347 381 C CA 0.757 59.747 59.018 -0.047 0.000 1.748 381 C CB -0.439 27.188 27.740 -0.189 0.000 1.977 381 C HN 0.476 nan 8.230 nan 0.000 0.501 382 A N 0.230 123.044 122.820 -0.009 0.000 2.252 382 A HA 0.089 4.408 4.320 -0.001 0.000 0.213 382 A C 1.899 179.466 177.584 -0.028 0.000 1.188 382 A CA 0.170 52.191 52.037 -0.028 0.000 0.863 382 A CB -0.600 18.418 19.000 0.031 0.000 0.893 382 A HN 0.830 nan 8.150 nan 0.000 0.495 383 W N -0.390 120.920 121.300 0.016 0.000 2.335 383 W HA -0.201 4.458 4.660 -0.001 0.000 0.311 383 W C 1.216 177.739 176.519 0.005 0.000 1.213 383 W CA 1.284 58.639 57.345 0.017 0.000 1.274 383 W CB -1.101 28.369 29.460 0.018 0.000 1.148 383 W HN 0.276 nan 8.180 nan 0.000 0.498 384 L N 1.872 122.519 121.223 -0.959 0.000 2.056 384 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 384 L C 2.623 179.298 176.870 -0.325 0.000 1.078 384 L CA 2.137 56.496 54.840 -0.801 0.000 0.749 384 L CB -1.106 40.222 42.059 -1.217 0.000 0.901 384 L HN -0.004 nan 8.230 nan 0.000 0.433 385 E N -0.399 119.633 120.200 -0.280 0.000 2.097 385 E HA -0.282 4.067 4.350 -0.001 0.000 0.196 385 E C 2.219 178.777 176.600 -0.070 0.000 1.000 385 E CA 1.982 58.300 56.400 -0.137 0.000 0.804 385 E CB -0.280 29.362 29.700 -0.097 0.000 0.740 385 E HN 0.556 nan 8.360 nan 0.000 0.454 386 I N 0.763 121.301 120.570 -0.053 0.000 2.202 386 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 386 I C 2.347 178.435 176.117 -0.048 0.000 1.091 386 I CA 0.886 62.152 61.300 -0.058 0.000 1.368 386 I CB -0.199 37.780 38.000 -0.036 0.000 1.058 386 I HN 0.106 nan 8.210 nan 0.000 0.410 387 L N -0.281 120.947 121.223 0.008 0.000 2.012 387 L HA -0.273 4.066 4.340 -0.001 0.000 0.210 387 L C 2.663 179.541 176.870 0.013 0.000 1.073 387 L CA 1.653 56.515 54.840 0.035 0.000 0.748 387 L CB -0.463 41.667 42.059 0.118 0.000 0.891 387 L HN 0.286 nan 8.230 nan 0.000 0.431 388 M N -0.942 118.651 119.600 -0.012 0.000 2.213 388 M HA -0.234 4.246 4.480 -0.001 0.000 0.263 388 M C 2.303 178.622 176.300 0.033 0.000 1.062 388 M CA 1.654 56.941 55.300 -0.022 0.000 1.105 388 M CB -0.174 32.392 32.600 -0.057 0.000 1.385 388 M HN 0.263 nan 8.290 nan 0.000 0.417 389 I N -0.215 120.405 120.570 0.084 0.000 2.500 389 I HA -0.115 4.055 4.170 -0.001 0.000 0.252 389 I C 2.155 178.476 176.117 0.339 0.000 1.142 389 I CA 0.945 62.383 61.300 0.231 0.000 1.451 389 I CB -0.350 37.778 38.000 0.214 0.000 1.093 389 I HN 0.267 nan 8.210 nan 0.000 0.430 390 G N 1.392 110.322 108.800 0.217 0.000 2.545 390 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.217 390 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.217 390 G C 1.522 176.473 174.900 0.086 0.000 1.218 390 G CA 1.083 46.294 45.100 0.185 0.000 0.787 390 G HN 0.371 nan 8.290 nan 0.000 0.571 391 L N 0.709 121.925 121.223 -0.012 0.000 1.976 391 L HA -0.175 4.164 4.340 -0.001 0.000 0.223 391 L C 3.016 179.811 176.870 -0.125 0.000 1.081 391 L CA 2.027 56.777 54.840 -0.151 0.000 0.784 391 L CB -0.858 41.043 42.059 -0.263 0.000 0.896 391 L HN 0.108 nan 8.230 nan 0.000 0.438 392 V N -0.639 119.261 119.914 -0.024 0.000 2.392 392 V HA -0.344 3.775 4.120 -0.001 0.000 0.249 392 V C 2.139 178.316 176.094 0.138 0.000 1.059 392 V CA 2.207 64.535 62.300 0.046 0.000 1.051 392 V CB -0.955 30.951 31.823 0.138 0.000 0.658 392 V HN 0.768 nan 8.190 nan 0.000 0.455 393 W N 1.245 122.512 121.300 -0.054 0.000 2.353 393 W HA -0.204 4.455 4.660 -0.001 0.000 0.319 393 W C 2.653 179.025 176.519 -0.244 0.000 1.207 393 W CA 1.800 58.983 57.345 -0.270 0.000 1.291 393 W CB -0.438 28.523 29.460 -0.832 0.000 1.159 393 W HN 0.144 nan 8.180 nan 0.000 0.478 394 R N 0.214 120.556 120.500 -0.263 0.000 2.153 394 R HA -0.190 4.149 4.340 -0.001 0.000 0.252 394 R C 2.120 178.274 176.300 -0.243 0.000 1.158 394 R CA 2.209 58.130 56.100 -0.298 0.000 0.975 394 R CB -0.831 29.359 30.300 -0.183 0.000 0.871 394 R HN 0.096 nan 8.270 nan 0.000 0.450 395 S N 0.278 115.862 115.700 -0.194 0.000 2.593 395 S HA 0.087 4.557 4.470 -0.001 0.000 0.217 395 S C 1.562 176.124 174.600 -0.063 0.000 0.966 395 S CA 0.152 58.283 58.200 -0.115 0.000 0.914 395 S CB 0.123 63.212 63.200 -0.185 0.000 0.776 395 S HN 0.232 nan 8.310 nan 0.000 0.523 396 M N 1.611 121.108 119.600 -0.170 0.000 2.080 396 M HA -0.149 4.331 4.480 -0.001 0.000 0.260 396 M C 1.533 177.737 176.300 -0.160 0.000 1.068 396 M CA 1.433 56.634 55.300 -0.164 0.000 1.109 396 M CB -0.276 32.161 32.600 -0.272 0.000 1.342 396 M HN 0.346 nan 8.290 nan 0.000 0.405 397 E N -0.437 119.621 120.200 -0.236 0.000 2.336 397 E HA 0.053 4.403 4.350 -0.001 0.000 0.214 397 E C -0.622 175.679 176.600 -0.499 0.000 1.144 397 E CA 0.009 56.218 56.400 -0.318 0.000 1.294 397 E CB -0.212 29.277 29.700 -0.352 0.000 1.263 397 E HN 0.525 nan 8.360 nan 0.000 0.439 398 H N 1.062 120.066 119.070 -0.110 0.000 2.429 398 H HA 0.244 4.799 4.556 -0.001 0.000 0.231 398 H C -2.612 172.683 175.328 -0.056 0.000 1.416 398 H CA -1.943 54.059 56.048 -0.076 0.000 1.443 398 H CB 0.933 30.646 29.762 -0.081 0.000 1.591 398 H HN 0.171 nan 8.280 nan 0.000 0.507 399 P HA -0.018 nan 4.420 nan 0.000 0.261 399 P C 1.210 178.540 177.300 0.051 0.000 1.183 399 P CA 1.476 64.588 63.100 0.020 0.000 0.761 399 P CB 0.520 32.218 31.700 -0.002 0.000 0.785 400 G N 2.155 110.990 108.800 0.058 0.000 2.195 400 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.246 400 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.246 400 G C -0.002 174.985 174.900 0.145 0.000 0.984 400 G CA -0.081 45.075 45.100 0.094 0.000 0.633 400 G HN 0.551 nan 8.290 nan 0.000 0.525 401 K N -0.404 120.059 120.400 0.104 0.000 2.426 401 K HA 0.731 5.050 4.320 -0.001 0.000 0.251 401 K C -0.510 176.061 176.600 -0.047 0.000 0.941 401 K CA -0.860 55.491 56.287 0.106 0.000 0.808 401 K CB 2.139 34.691 32.500 0.086 0.000 1.265 401 K HN 0.076 nan 8.250 nan 0.000 0.432 402 L N 3.430 124.590 121.223 -0.105 0.000 2.280 402 L HA 0.390 4.729 4.340 -0.001 0.000 0.287 402 L C -0.338 176.323 176.870 -0.349 0.000 1.023 402 L CA -0.702 53.881 54.840 -0.429 0.000 0.819 402 L CB 1.046 42.568 42.059 -0.895 0.000 1.212 402 L HN 0.453 nan 8.230 nan 0.000 0.420 403 L N 3.643 124.631 121.223 -0.392 0.000 2.399 403 L HA 0.166 4.505 4.340 -0.001 0.000 0.257 403 L C 0.624 177.336 176.870 -0.264 0.000 1.236 403 L CA 0.040 54.701 54.840 -0.299 0.000 1.144 403 L CB -0.149 41.688 42.059 -0.369 0.000 1.379 403 L HN 0.530 nan 8.230 nan 0.000 0.414 404 F N 2.346 122.225 119.950 -0.119 0.000 2.146 404 F HA 0.022 4.549 4.527 -0.001 0.000 0.298 404 F C 1.488 177.228 175.800 -0.101 0.000 1.096 404 F CA 1.017 58.961 58.000 -0.095 0.000 1.275 404 F CB -0.148 38.809 39.000 -0.071 0.000 1.008 404 F HN 0.500 nan 8.300 nan 0.000 0.480 405 A N -1.484 121.386 122.820 0.082 0.000 2.594 405 A HA 0.550 4.870 4.320 -0.001 0.000 0.291 405 A C -2.129 175.401 177.584 -0.090 0.000 1.105 405 A CA -1.156 50.850 52.037 -0.052 0.000 0.694 405 A CB 0.560 19.553 19.000 -0.013 0.000 1.291 405 A HN -0.155 nan 8.150 nan 0.000 0.410 406 P HA -0.057 nan 4.420 nan 0.000 0.223 406 P C 0.580 177.902 177.300 0.035 0.000 1.151 406 P CA 1.241 64.268 63.100 -0.122 0.000 0.787 406 P CB 0.111 31.678 31.700 -0.222 0.000 0.788 407 N N -0.184 118.591 118.700 0.126 0.000 2.295 407 N HA 0.071 4.811 4.740 -0.001 0.000 0.221 407 N C -0.138 175.424 175.510 0.087 0.000 1.129 407 N CA 0.038 53.172 53.050 0.140 0.000 0.836 407 N CB -0.178 38.438 38.487 0.216 0.000 1.040 407 N HN 0.052 nan 8.380 nan 0.000 0.494 408 L N 0.661 121.930 121.223 0.076 0.000 2.435 408 L HA 0.422 4.761 4.340 -0.001 0.000 0.259 408 L C -1.711 175.243 176.870 0.139 0.000 1.563 408 L CA -0.676 54.232 54.840 0.113 0.000 0.789 408 L CB 0.817 42.938 42.059 0.104 0.000 0.989 408 L HN 0.078 nan 8.230 nan 0.000 0.522 409 L N 2.830 124.110 121.223 0.094 0.000 2.264 409 L HA 0.629 4.968 4.340 -0.001 0.000 0.287 409 L C -1.322 175.635 176.870 0.145 0.000 1.039 409 L CA 0.021 54.898 54.840 0.061 0.000 0.829 409 L CB 0.832 42.853 42.059 -0.064 0.000 1.211 409 L HN 0.351 nan 8.230 nan 0.000 0.427 410 L N 4.223 125.602 121.223 0.260 0.000 2.317 410 L HA 0.540 4.880 4.340 -0.001 0.000 0.281 410 L C -0.213 176.885 176.870 0.381 0.000 1.024 410 L CA -0.966 54.069 54.840 0.324 0.000 0.810 410 L CB 1.627 43.939 42.059 0.421 0.000 1.240 410 L HN 0.637 nan 8.230 nan 0.000 0.427 411 D N 0.802 121.347 120.400 0.242 0.000 2.451 411 D HA 0.141 4.780 4.640 -0.001 0.000 0.259 411 D C 0.905 177.187 176.300 -0.031 0.000 1.201 411 D CA -0.745 53.377 54.000 0.203 0.000 1.028 411 D CB 0.776 41.632 40.800 0.094 0.000 1.095 411 D HN 0.431 nan 8.370 nan 0.000 0.539 412 R N -0.575 119.813 120.500 -0.187 0.000 2.235 412 R HA -0.039 4.300 4.340 -0.001 0.000 0.213 412 R C 0.546 176.576 176.300 -0.449 0.000 1.059 412 R CA 0.733 56.441 56.100 -0.654 0.000 0.997 412 R CB -0.099 30.050 30.300 -0.251 0.000 0.884 412 R HN 0.404 nan 8.270 nan 0.000 0.462 413 N N 0.038 118.608 118.700 -0.216 0.000 2.454 413 N HA -0.031 4.709 4.740 -0.001 0.000 0.177 413 N C 1.280 176.738 175.510 -0.086 0.000 1.049 413 N CA 0.372 53.342 53.050 -0.133 0.000 0.887 413 N CB 0.152 38.596 38.487 -0.071 0.000 1.095 413 N HN 0.292 nan 8.380 nan 0.000 0.446 414 Q N 0.823 120.596 119.800 -0.045 0.000 1.956 414 Q HA -0.047 4.293 4.340 -0.001 0.000 0.208 414 Q C 1.025 177.085 176.000 0.100 0.000 0.998 414 Q CA 1.210 57.037 55.803 0.041 0.000 0.855 414 Q CB -0.710 28.090 28.738 0.102 0.000 0.928 414 Q HN 0.223 nan 8.270 nan 0.000 0.418 415 G N 0.696 109.554 108.800 0.097 0.000 2.559 415 G HA2 0.293 4.253 3.960 -0.001 0.000 0.235 415 G HA3 0.293 4.253 3.960 -0.001 0.000 0.235 415 G C -0.285 174.627 174.900 0.021 0.000 1.266 415 G CA 0.273 45.425 45.100 0.086 0.000 0.847 415 G HN 0.327 nan 8.290 nan 0.000 0.583 419 E N 1.060 121.255 120.200 -0.009 0.000 2.274 419 E HA -0.037 4.312 4.350 -0.001 0.000 0.194 419 E C 1.606 178.202 176.600 -0.008 0.000 0.996 419 E CA 1.559 57.954 56.400 -0.009 0.000 0.840 419 E CB -0.027 29.674 29.700 0.001 0.000 0.772 419 E HN 1.027 nan 8.360 nan 0.000 0.491 420 G N 0.970 109.763 108.800 -0.012 0.000 2.448 420 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.218 420 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.218 420 G C 1.596 176.457 174.900 -0.066 0.000 1.135 420 G CA 0.463 45.551 45.100 -0.019 0.000 0.784 420 G HN 0.106 nan 8.290 nan 0.000 0.543 421 M N 0.627 120.155 119.600 -0.120 0.000 2.156 421 M HA 0.003 4.482 4.480 -0.001 0.000 0.264 421 M C 2.770 179.072 176.300 0.003 0.000 1.067 421 M CA 0.904 56.125 55.300 -0.132 0.000 1.131 421 M CB -0.892 31.598 32.600 -0.183 0.000 1.368 421 M HN 0.196 nan 8.290 nan 0.000 0.416 422 V N 0.458 120.369 119.914 -0.006 0.000 2.759 422 V HA -0.210 3.909 4.120 -0.001 0.000 0.256 422 V C 1.759 177.904 176.094 0.084 0.000 1.080 422 V CA 1.843 64.157 62.300 0.022 0.000 1.101 422 V CB -0.472 31.318 31.823 -0.055 0.000 0.698 422 V HN 0.486 nan 8.190 nan 0.000 0.477 423 E N 0.367 120.601 120.200 0.057 0.000 2.072 423 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 423 E C 2.119 178.774 176.600 0.093 0.000 0.985 423 E CA 1.811 58.255 56.400 0.073 0.000 0.801 423 E CB -0.259 29.474 29.700 0.055 0.000 0.750 423 E HN 0.682 nan 8.360 nan 0.000 0.452 424 I N 0.559 121.169 120.570 0.066 0.000 2.142 424 I HA -0.261 3.908 4.170 -0.001 0.000 0.240 424 I C 2.248 178.424 176.117 0.099 0.000 1.078 424 I CA 0.950 62.277 61.300 0.045 0.000 1.343 424 I CB -0.296 37.700 38.000 -0.007 0.000 1.046 424 I HN 0.043 nan 8.210 nan 0.000 0.405 425 F N 2.230 122.186 119.950 0.009 0.000 2.043 425 F HA -0.361 4.165 4.527 -0.001 0.000 0.297 425 F C 2.279 178.093 175.800 0.023 0.000 1.118 425 F CA 2.192 60.214 58.000 0.037 0.000 1.202 425 F CB -0.472 38.555 39.000 0.046 0.000 0.965 425 F HN 0.127 nan 8.300 nan 0.000 0.482 426 D N 0.008 120.621 120.400 0.354 0.000 2.133 426 D HA -0.274 4.366 4.640 -0.001 0.000 0.192 426 D C 2.406 178.774 176.300 0.113 0.000 1.001 426 D CA 2.040 56.164 54.000 0.208 0.000 0.844 426 D CB -0.489 40.399 40.800 0.147 0.000 0.944 426 D HN 0.364 nan 8.370 nan 0.000 0.447 427 M N -0.162 119.502 119.600 0.108 0.000 2.086 427 M HA -0.142 4.337 4.480 -0.001 0.000 0.261 427 M C 2.464 178.785 176.300 0.035 0.000 1.067 427 M CA 1.092 56.464 55.300 0.121 0.000 1.116 427 M CB -0.399 32.288 32.600 0.145 0.000 1.348 427 M HN 0.012 nan 8.290 nan 0.000 0.407 428 L N 0.061 121.253 121.223 -0.051 0.000 2.043 428 L HA -0.243 4.096 4.340 -0.001 0.000 0.212 428 L C 2.403 179.180 176.870 -0.155 0.000 1.075 428 L CA 1.194 55.948 54.840 -0.143 0.000 0.752 428 L CB -0.763 41.137 42.059 -0.265 0.000 0.891 428 L HN 0.324 nan 8.230 nan 0.000 0.432 429 L N -0.621 120.523 121.223 -0.132 0.000 2.017 429 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 429 L C 2.921 179.759 176.870 -0.054 0.000 1.073 429 L CA 1.169 55.959 54.840 -0.084 0.000 0.745 429 L CB -0.700 41.366 42.059 0.012 0.000 0.894 429 L HN 0.265 nan 8.230 nan 0.000 0.432 430 A N -0.084 122.719 122.820 -0.029 0.000 1.859 430 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 430 A C 2.341 179.867 177.584 -0.097 0.000 1.198 430 A CA 2.693 54.704 52.037 -0.044 0.000 0.629 430 A CB -1.200 17.783 19.000 -0.027 0.000 0.830 430 A HN 0.433 nan 8.150 nan 0.000 0.446 431 T N -0.379 114.104 114.554 -0.118 0.000 2.624 431 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 431 T C 2.231 176.732 174.700 -0.332 0.000 1.041 431 T CA 1.932 63.876 62.100 -0.260 0.000 1.159 431 T CB -0.613 68.118 68.868 -0.227 0.000 0.863 431 T HN 0.500 nan 8.240 nan 0.000 0.434 432 S N 0.641 116.236 115.700 -0.174 0.000 2.370 432 S HA -0.161 4.308 4.470 -0.001 0.000 0.226 432 S C 2.365 176.943 174.600 -0.036 0.000 1.033 432 S CA 1.691 59.849 58.200 -0.069 0.000 1.011 432 S CB -0.562 62.596 63.200 -0.070 0.000 0.852 432 S HN 0.547 nan 8.310 nan 0.000 0.457 433 S N 1.123 116.790 115.700 -0.055 0.000 2.356 433 S HA -0.126 4.344 4.470 -0.001 0.000 0.223 433 S C 1.872 176.460 174.600 -0.019 0.000 1.032 433 S CA 1.502 59.684 58.200 -0.030 0.000 1.005 433 S CB -0.489 62.692 63.200 -0.032 0.000 0.867 433 S HN 0.565 nan 8.310 nan 0.000 0.449 434 R N 0.836 121.291 120.500 -0.074 0.000 2.083 434 R HA -0.087 4.252 4.340 -0.001 0.000 0.237 434 R C 1.814 178.155 176.300 0.068 0.000 1.137 434 R CA 1.573 57.637 56.100 -0.060 0.000 0.951 434 R CB -0.672 29.533 30.300 -0.157 0.000 0.851 434 R HN 0.289 nan 8.270 nan 0.000 0.434 435 F N 0.892 120.863 119.950 0.036 0.000 2.161 435 F HA -0.124 4.403 4.527 -0.001 0.000 0.300 435 F C 2.496 178.315 175.800 0.032 0.000 1.089 435 F CA 1.514 59.551 58.000 0.062 0.000 1.282 435 F CB -0.847 38.215 39.000 0.103 0.000 1.010 435 F HN 0.133 nan 8.300 nan 0.000 0.485 436 R N -0.298 120.312 120.500 0.184 0.000 2.073 436 R HA -0.178 4.161 4.340 -0.001 0.000 0.234 436 R C 2.209 178.543 176.300 0.056 0.000 1.134 436 R CA 1.445 57.584 56.100 0.065 0.000 0.952 436 R CB -0.171 30.133 30.300 0.006 0.000 0.850 436 R HN 0.086 nan 8.270 nan 0.000 0.433 437 M N 0.316 119.948 119.600 0.054 0.000 2.082 437 M HA -0.200 4.279 4.480 -0.001 0.000 0.258 437 M C 2.127 178.462 176.300 0.058 0.000 1.069 437 M CA 1.752 57.076 55.300 0.040 0.000 1.102 437 M CB -0.729 31.887 32.600 0.027 0.000 1.336 437 M HN 0.250 nan 8.290 nan 0.000 0.404 438 M N -0.559 119.101 119.600 0.100 0.000 2.659 438 M HA -0.008 4.472 4.480 -0.001 0.000 0.243 438 M C 0.280 176.636 176.300 0.093 0.000 1.111 438 M CA 0.004 55.367 55.300 0.106 0.000 1.070 438 M CB -0.753 31.945 32.600 0.163 0.000 1.525 438 M HN 0.319 nan 8.290 nan 0.000 0.517 439 N N 2.079 120.828 118.700 0.082 0.000 2.705 439 N HA -0.182 4.558 4.740 -0.001 0.000 0.255 439 N C -0.772 174.790 175.510 0.086 0.000 1.008 439 N CA 0.150 53.237 53.050 0.061 0.000 0.742 439 N CB -1.084 37.425 38.487 0.038 0.000 0.906 439 N HN 0.350 nan 8.380 nan 0.000 0.541 440 L N 0.585 121.882 121.223 0.123 0.000 2.559 440 L HA 0.074 4.413 4.340 -0.001 0.000 0.282 440 L C 0.500 177.483 176.870 0.188 0.000 1.232 440 L CA 0.828 55.736 54.840 0.113 0.000 0.885 440 L CB 0.484 42.551 42.059 0.014 0.000 1.131 440 L HN 0.254 nan 8.230 nan 0.000 0.498 441 Q N 3.370 123.242 119.800 0.121 0.000 2.222 441 Q HA 0.276 4.615 4.340 -0.001 0.000 0.252 441 Q C 1.041 177.077 176.000 0.060 0.000 0.926 441 Q CA 0.349 56.235 55.803 0.138 0.000 0.899 441 Q CB 1.456 30.234 28.738 0.066 0.000 1.250 441 Q HN 0.903 nan 8.270 nan 0.000 0.441 442 G N 2.162 111.027 108.800 0.108 0.000 2.513 442 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.219 442 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.219 442 G C 0.900 175.718 174.900 -0.135 0.000 1.160 442 G CA 1.019 46.021 45.100 -0.163 0.000 0.767 442 G HN 0.577 nan 8.290 nan 0.000 0.571 443 E N 0.439 120.616 120.200 -0.039 0.000 2.268 443 E HA 0.003 4.353 4.350 -0.001 0.000 0.195 443 E C 2.376 178.941 176.600 -0.058 0.000 0.995 443 E CA 0.995 57.375 56.400 -0.033 0.000 0.836 443 E CB -0.044 29.658 29.700 0.004 0.000 0.763 443 E HN 0.636 nan 8.360 nan 0.000 0.491 444 E N -0.326 119.835 120.200 -0.066 0.000 2.076 444 E HA -0.101 4.248 4.350 -0.001 0.000 0.190 444 E C 1.719 178.231 176.600 -0.147 0.000 0.979 444 E CA 0.543 56.897 56.400 -0.077 0.000 0.807 444 E CB -0.181 29.489 29.700 -0.050 0.000 0.761 444 E HN 0.267 nan 8.360 nan 0.000 0.454 445 F N 2.088 121.793 119.950 -0.407 0.000 2.126 445 F HA -0.240 4.286 4.527 -0.001 0.000 0.299 445 F C 2.154 177.718 175.800 -0.392 0.000 1.096 445 F CA 1.590 59.257 58.000 -0.555 0.000 1.255 445 F CB -0.320 38.011 39.000 -1.116 0.000 0.997 445 F HN -0.089 nan 8.300 nan 0.000 0.479 446 V N -1.807 117.810 119.914 -0.496 0.000 2.548 446 V HA -0.211 3.909 4.120 -0.001 0.000 0.249 446 V C 2.373 178.301 176.094 -0.276 0.000 1.055 446 V CA 1.567 63.589 62.300 -0.463 0.000 1.065 446 V CB -1.788 29.936 31.823 -0.165 0.000 0.681 446 V HN 0.529 nan 8.190 nan 0.000 0.462 447 C N 0.347 119.530 119.300 -0.194 0.000 2.436 447 C HA -0.014 4.445 4.460 -0.001 0.000 0.277 447 C C 2.781 177.695 174.990 -0.126 0.000 1.241 447 C CA 1.338 60.287 59.018 -0.115 0.000 1.721 447 C CB -1.194 26.503 27.740 -0.071 0.000 2.043 447 C HN 0.601 nan 8.230 nan 0.000 0.472 448 L N 0.700 121.817 121.223 -0.175 0.000 2.042 448 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 448 L C 2.645 179.417 176.870 -0.163 0.000 1.076 448 L CA 1.774 56.532 54.840 -0.136 0.000 0.749 448 L CB -0.732 41.252 42.059 -0.125 0.000 0.893 448 L HN 0.428 nan 8.230 nan 0.000 0.432 449 K N -0.284 119.907 120.400 -0.348 0.000 2.057 449 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 449 K C 2.308 178.920 176.600 0.020 0.000 1.049 449 K CA 1.579 57.687 56.287 -0.299 0.000 0.931 449 K CB 0.024 32.105 32.500 -0.700 0.000 0.714 449 K HN 0.067 nan 8.250 nan 0.000 0.440 450 S N 0.886 116.623 115.700 0.062 0.000 2.359 450 S HA -0.119 4.350 4.470 -0.001 0.000 0.224 450 S C 1.828 176.440 174.600 0.020 0.000 1.035 450 S CA 1.386 59.636 58.200 0.084 0.000 1.018 450 S CB -0.243 62.957 63.200 0.001 0.000 0.876 450 S HN 0.276 nan 8.310 nan 0.000 0.448 451 I N 1.239 121.806 120.570 -0.005 0.000 2.163 451 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 451 I C 2.024 178.149 176.117 0.015 0.000 1.085 451 I CA 1.261 62.562 61.300 0.001 0.000 1.347 451 I CB -0.421 37.583 38.000 0.007 0.000 1.044 451 I HN 0.287 nan 8.210 nan 0.000 0.408 452 I N 0.162 120.745 120.570 0.022 0.000 2.194 452 I HA -0.330 3.839 4.170 -0.001 0.000 0.246 452 I C 2.554 178.693 176.117 0.035 0.000 1.093 452 I CA 1.305 62.622 61.300 0.029 0.000 1.355 452 I CB -0.331 37.682 38.000 0.022 0.000 1.046 452 I HN 0.279 nan 8.210 nan 0.000 0.413 453 L N 0.761 122.026 121.223 0.070 0.000 2.017 453 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 453 L C 2.151 179.045 176.870 0.039 0.000 1.073 453 L CA 1.966 56.847 54.840 0.068 0.000 0.745 453 L CB -0.415 41.667 42.059 0.038 0.000 0.894 453 L HN 0.142 nan 8.230 nan 0.000 0.432 454 L N -0.808 120.423 121.223 0.013 0.000 2.375 454 L HA -0.011 4.328 4.340 -0.001 0.000 0.215 454 L C 2.274 179.085 176.870 -0.098 0.000 1.108 454 L CA 0.807 55.642 54.840 -0.008 0.000 0.830 454 L CB -0.599 41.447 42.059 -0.023 0.000 0.959 454 L HN 0.449 nan 8.230 nan 0.000 0.457 455 N N -0.445 118.206 118.700 -0.082 0.000 2.305 455 N HA -0.100 4.640 4.740 -0.001 0.000 0.179 455 N C 1.816 177.236 175.510 -0.149 0.000 1.019 455 N CA 0.772 53.744 53.050 -0.130 0.000 0.869 455 N CB 0.327 38.817 38.487 0.005 0.000 1.000 455 N HN 0.112 nan 8.380 nan 0.000 0.431 456 S N -0.407 115.253 115.700 -0.066 0.000 2.370 456 S HA -0.068 4.401 4.470 -0.001 0.000 0.226 456 S C 1.579 176.126 174.600 -0.087 0.000 1.033 456 S CA 1.425 59.607 58.200 -0.029 0.000 1.011 456 S CB -0.272 62.910 63.200 -0.030 0.000 0.852 456 S HN 0.585 nan 8.310 nan 0.000 0.457 457 G N -0.311 108.363 108.800 -0.211 0.000 3.159 457 G HA2 0.168 4.128 3.960 -0.001 0.000 0.232 457 G HA3 0.168 4.128 3.960 -0.001 0.000 0.232 457 G C 1.029 175.655 174.900 -0.456 0.000 1.116 457 G CA -0.020 44.875 45.100 -0.341 0.000 0.767 457 G HN 0.361 nan 8.290 nan 0.000 0.547 458 V N 0.083 119.672 119.914 -0.542 0.000 2.667 458 V HA -0.051 4.069 4.120 -0.001 0.000 0.252 458 V C 2.101 177.913 176.094 -0.470 0.000 1.065 458 V CA 1.296 63.178 62.300 -0.696 0.000 1.083 458 V CB -0.478 30.982 31.823 -0.605 0.000 0.692 458 V HN 0.551 nan 8.190 nan 0.000 0.468 459 Y N 0.694 120.961 120.300 -0.056 0.000 2.516 459 Y HA -0.007 4.542 4.550 -0.001 0.000 0.291 459 Y C 2.090 178.018 175.900 0.047 0.000 1.131 459 Y CA 1.028 59.155 58.100 0.046 0.000 1.281 459 Y CB -0.276 38.216 38.460 0.054 0.000 1.013 459 Y HN 0.456 nan 8.280 nan 0.000 0.554 460 T N -3.588 111.038 114.554 0.121 0.000 3.275 460 T HA 0.191 4.540 4.350 -0.001 0.000 0.265 460 T C 0.787 175.552 174.700 0.107 0.000 0.978 460 T CA -0.336 61.860 62.100 0.160 0.000 0.923 460 T CB -1.254 67.737 68.868 0.205 0.000 1.126 460 T HN 0.235 nan 8.240 nan 0.000 0.538 461 F N 0.816 120.838 119.950 0.120 0.000 2.259 461 F HA 0.226 4.753 4.527 -0.001 0.000 0.298 461 F C 2.708 178.498 175.800 -0.016 0.000 1.088 461 F CA 1.140 59.130 58.000 -0.017 0.000 1.358 461 F CB 0.121 39.137 39.000 0.027 0.000 1.040 461 F HN 0.399 nan 8.300 nan 0.000 0.505 462 L N -1.755 119.584 121.223 0.193 0.000 1.973 462 L HA 0.005 4.344 4.340 -0.001 0.000 0.493 462 L C 0.739 177.670 176.870 0.100 0.000 0.721 462 L CA 0.890 55.800 54.840 0.116 0.000 3.138 462 L CB -2.127 39.975 42.059 0.072 0.000 0.742 462 L HN 0.985 nan 8.230 nan 0.000 0.747 463 S N -3.370 112.388 115.700 0.097 0.000 4.159 463 S HA 0.499 4.969 4.470 -0.001 0.000 0.637 463 S C 1.006 175.626 174.600 0.032 0.000 1.303 463 S CA 2.136 60.378 58.200 0.070 0.000 1.609 463 S CB -1.727 61.517 63.200 0.073 0.000 0.328 463 S HN 3.614 nan 8.310 nan 0.000 1.573 464 S N -1.986 113.731 115.700 0.027 0.000 4.118 464 S HA -0.077 4.393 4.470 -0.001 0.000 0.624 464 S C 1.719 176.320 174.600 0.001 0.000 1.929 464 S CA 1.780 59.987 58.200 0.011 0.000 4.219 464 S CB -2.445 60.756 63.200 0.002 0.000 0.206 464 S HN 2.947 nan 8.310 nan 0.000 0.525 465 T N 1.862 116.409 114.554 -0.012 0.000 2.770 465 T HA -0.038 4.312 4.350 -0.001 0.000 0.287 465 T C 1.328 176.015 174.700 -0.021 0.000 1.025 465 T CA 0.961 63.048 62.100 -0.021 0.000 1.143 465 T CB -0.129 68.719 68.868 -0.033 0.000 1.077 465 T HN 1.517 nan 8.240 nan 0.000 0.476 466 L N 4.214 125.424 121.223 -0.021 0.000 2.043 466 L HA -0.037 4.303 4.340 -0.001 0.000 0.212 466 L C 2.560 179.411 176.870 -0.031 0.000 1.075 466 L CA 2.523 57.352 54.840 -0.019 0.000 0.752 466 L CB -0.778 41.270 42.059 -0.019 0.000 0.891 466 L HN 0.853 nan 8.230 nan 0.000 0.432 467 K N -1.315 119.057 120.400 -0.045 0.000 2.097 467 K HA -0.170 4.149 4.320 -0.001 0.000 0.205 467 K C 2.328 178.875 176.600 -0.089 0.000 1.050 467 K CA 1.326 57.573 56.287 -0.066 0.000 0.938 467 K CB -0.235 32.222 32.500 -0.072 0.000 0.718 467 K HN 0.450 nan 8.250 nan 0.000 0.442 468 S N 0.544 116.196 115.700 -0.081 0.000 2.399 468 S HA -0.076 4.393 4.470 -0.001 0.000 0.231 468 S C 1.889 176.444 174.600 -0.075 0.000 1.022 468 S CA 0.849 58.986 58.200 -0.105 0.000 0.983 468 S CB -0.142 63.024 63.200 -0.056 0.000 0.803 468 S HN 0.342 nan 8.310 nan 0.000 0.480 469 L N 0.773 121.980 121.223 -0.026 0.000 2.072 469 L HA 0.008 4.347 4.340 -0.001 0.000 0.205 469 L C 2.765 179.641 176.870 0.009 0.000 1.079 469 L CA 1.310 56.157 54.840 0.012 0.000 0.752 469 L CB -0.502 41.569 42.059 0.021 0.000 0.906 469 L HN 0.356 nan 8.230 nan 0.000 0.436 470 E N -0.079 120.111 120.200 -0.018 0.000 2.058 470 E HA -0.241 4.108 4.350 -0.001 0.000 0.194 470 E C 2.116 178.709 176.600 -0.010 0.000 0.997 470 E CA 1.327 57.720 56.400 -0.012 0.000 0.801 470 E CB -0.005 29.672 29.700 -0.039 0.000 0.746 470 E HN 0.433 nan 8.360 nan 0.000 0.450 471 E N 0.834 120.982 120.200 -0.086 0.000 2.058 471 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 471 E C 1.998 178.563 176.600 -0.058 0.000 0.997 471 E CA 1.005 57.326 56.400 -0.131 0.000 0.801 471 E CB -0.170 29.324 29.700 -0.343 0.000 0.746 471 E HN 0.238 nan 8.360 nan 0.000 0.450 472 K N 0.570 120.945 120.400 -0.042 0.000 2.147 472 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 472 K C 1.855 178.544 176.600 0.147 0.000 1.049 472 K CA 0.979 57.325 56.287 0.098 0.000 0.936 472 K CB -0.031 32.596 32.500 0.213 0.000 0.722 472 K HN 0.067 nan 8.250 nan 0.000 0.446 473 D N 0.192 120.676 120.400 0.140 0.000 2.194 473 D HA -0.130 4.509 4.640 -0.001 0.000 0.204 473 D C 1.829 178.210 176.300 0.135 0.000 0.964 473 D CA 0.967 55.063 54.000 0.161 0.000 0.846 473 D CB 0.186 41.050 40.800 0.107 0.000 0.962 473 D HN 0.253 nan 8.370 nan 0.000 0.490 474 H N 0.522 119.601 119.070 0.014 0.000 2.326 474 H HA 0.035 4.591 4.556 -0.001 0.000 0.301 474 H C 2.296 177.616 175.328 -0.012 0.000 1.081 474 H CA 1.497 57.541 56.048 -0.007 0.000 1.334 474 H CB -0.377 29.361 29.762 -0.040 0.000 1.385 474 H HN 0.045 nan 8.280 nan 0.000 0.504 475 I N 0.251 120.746 120.570 -0.125 0.000 2.113 475 I HA -0.395 3.775 4.170 -0.001 0.000 0.242 475 I C 2.341 178.334 176.117 -0.206 0.000 1.064 475 I CA 1.725 62.905 61.300 -0.200 0.000 1.320 475 I CB -0.488 37.413 38.000 -0.165 0.000 1.028 475 I HN 0.481 nan 8.210 nan 0.000 0.406 476 H N 0.774 119.817 119.070 -0.046 0.000 2.387 476 H HA -0.103 4.453 4.556 -0.001 0.000 0.299 476 H C 2.465 177.761 175.328 -0.054 0.000 1.099 476 H CA 1.345 57.375 56.048 -0.031 0.000 1.315 476 H CB -0.208 29.560 29.762 0.009 0.000 1.380 476 H HN 0.360 nan 8.280 nan 0.000 0.513 477 R N 0.065 120.572 120.500 0.013 0.000 2.075 477 R HA -0.063 4.276 4.340 -0.001 0.000 0.232 477 R C 2.497 178.741 176.300 -0.093 0.000 1.126 477 R CA 1.124 57.203 56.100 -0.035 0.000 0.963 477 R CB -0.165 30.117 30.300 -0.030 0.000 0.858 477 R HN 0.082 nan 8.270 nan 0.000 0.435 478 V N 1.666 121.455 119.914 -0.208 0.000 2.343 478 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 478 V C 2.368 178.412 176.094 -0.084 0.000 1.051 478 V CA 1.649 63.844 62.300 -0.174 0.000 1.036 478 V CB -0.585 31.094 31.823 -0.240 0.000 0.654 478 V HN 0.258 nan 8.190 nan 0.000 0.451 479 L N 0.009 121.196 121.223 -0.061 0.000 2.013 479 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 479 L C 2.491 179.367 176.870 0.010 0.000 1.073 479 L CA 1.870 56.703 54.840 -0.011 0.000 0.753 479 L CB -0.798 41.279 42.059 0.029 0.000 0.890 479 L HN 0.331 nan 8.230 nan 0.000 0.432 480 D N -0.198 120.213 120.400 0.019 0.000 2.158 480 D HA -0.240 4.400 4.640 -0.001 0.000 0.197 480 D C 2.116 178.421 176.300 0.008 0.000 0.995 480 D CA 1.351 55.364 54.000 0.021 0.000 0.846 480 D CB -0.054 40.760 40.800 0.022 0.000 0.941 480 D HN 0.170 nan 8.370 nan 0.000 0.456 481 K N 0.694 121.088 120.400 -0.010 0.000 2.103 481 K HA 0.004 4.323 4.320 -0.001 0.000 0.204 481 K C 2.058 178.651 176.600 -0.012 0.000 1.052 481 K CA 0.629 56.907 56.287 -0.015 0.000 0.945 481 K CB -0.257 32.225 32.500 -0.030 0.000 0.722 481 K HN 0.108 nan 8.250 nan 0.000 0.443 482 I N 0.571 121.132 120.570 -0.015 0.000 2.226 482 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 482 I C 1.841 177.962 176.117 0.008 0.000 1.100 482 I CA 1.588 62.882 61.300 -0.010 0.000 1.374 482 I CB -0.709 37.280 38.000 -0.018 0.000 1.057 482 I HN 0.240 nan 8.210 nan 0.000 0.413 483 T N 0.445 115.010 114.554 0.019 0.000 2.684 483 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 483 T C 1.477 176.202 174.700 0.041 0.000 1.036 483 T CA 1.739 63.860 62.100 0.035 0.000 1.148 483 T CB -0.373 68.522 68.868 0.044 0.000 0.863 483 T HN 0.327 nan 8.240 nan 0.000 0.436 484 D N 0.832 121.253 120.400 0.035 0.000 2.149 484 D HA -0.073 4.566 4.640 -0.001 0.000 0.198 484 D C 2.317 178.652 176.300 0.057 0.000 0.990 484 D CA 1.227 55.253 54.000 0.043 0.000 0.839 484 D CB -0.677 40.136 40.800 0.021 0.000 0.948 484 D HN 0.348 nan 8.370 nan 0.000 0.460 485 T N 1.180 115.754 114.554 0.034 0.000 2.674 485 T HA -0.065 4.284 4.350 -0.001 0.000 0.265 485 T C 2.260 177.006 174.700 0.076 0.000 1.039 485 T CA 0.472 62.600 62.100 0.045 0.000 1.150 485 T CB -0.380 68.493 68.868 0.007 0.000 0.864 485 T HN 0.108 nan 8.240 nan 0.000 0.427 486 L N 0.570 121.820 121.223 0.045 0.000 2.013 486 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 486 L C 2.538 179.435 176.870 0.046 0.000 1.073 486 L CA 1.122 55.984 54.840 0.037 0.000 0.753 486 L CB -0.527 41.548 42.059 0.027 0.000 0.890 486 L HN 0.271 nan 8.230 nan 0.000 0.432 487 I N -0.994 119.610 120.570 0.057 0.000 2.252 487 I HA -0.324 3.845 4.170 -0.001 0.000 0.245 487 I C 2.534 178.678 176.117 0.044 0.000 1.102 487 I CA 1.487 62.812 61.300 0.042 0.000 1.385 487 I CB -1.266 36.767 38.000 0.054 0.000 1.064 487 I HN 0.463 nan 8.210 nan 0.000 0.414 488 H N 1.585 120.652 119.070 -0.004 0.000 2.319 488 H HA -0.169 4.386 4.556 -0.001 0.000 0.299 488 H C 2.386 177.710 175.328 -0.007 0.000 1.092 488 H CA 1.723 57.768 56.048 -0.005 0.000 1.302 488 H CB -0.009 29.751 29.762 -0.003 0.000 1.373 488 H HN 0.230 nan 8.280 nan 0.000 0.497 489 L N 0.075 121.318 121.223 0.033 0.000 2.042 489 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 489 L C 3.074 179.898 176.870 -0.078 0.000 1.076 489 L CA 1.446 56.271 54.840 -0.025 0.000 0.749 489 L CB -0.371 41.705 42.059 0.028 0.000 0.893 489 L HN 0.307 nan 8.230 nan 0.000 0.432 490 M N -0.916 118.652 119.600 -0.053 0.000 2.132 490 M HA -0.178 4.302 4.480 -0.001 0.000 0.263 490 M C 2.533 178.781 176.300 -0.087 0.000 1.065 490 M CA 1.797 57.064 55.300 -0.056 0.000 1.122 490 M CB -0.517 32.059 32.600 -0.039 0.000 1.365 490 M HN 0.330 nan 8.290 nan 0.000 0.411 491 A N 0.486 123.236 122.820 -0.117 0.000 1.845 491 A HA -0.210 4.109 4.320 -0.001 0.000 0.215 491 A C 2.131 179.626 177.584 -0.149 0.000 1.195 491 A CA 1.970 53.930 52.037 -0.128 0.000 0.616 491 A CB -0.763 18.158 19.000 -0.132 0.000 0.832 491 A HN 0.394 nan 8.150 nan 0.000 0.443 492 K N -0.627 119.627 120.400 -0.243 0.000 2.077 492 K HA -0.248 4.072 4.320 -0.001 0.000 0.213 492 K C 1.998 178.531 176.600 -0.112 0.000 1.051 492 K CA 1.600 57.757 56.287 -0.216 0.000 0.929 492 K CB -0.341 31.985 32.500 -0.290 0.000 0.715 492 K HN 0.457 nan 8.250 nan 0.000 0.451 493 A N -0.411 122.355 122.820 -0.090 0.000 2.172 493 A HA 0.068 4.387 4.320 -0.001 0.000 0.216 493 A C 1.289 178.846 177.584 -0.045 0.000 1.154 493 A CA 1.315 53.321 52.037 -0.052 0.000 0.701 493 A CB -0.337 18.641 19.000 -0.037 0.000 0.789 493 A HN 0.584 nan 8.150 nan 0.000 0.465 494 G N -1.505 107.262 108.800 -0.055 0.000 2.130 494 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.216 494 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.216 494 G C -0.041 174.835 174.900 -0.040 0.000 0.999 494 G CA 0.059 45.132 45.100 -0.044 0.000 0.686 494 G HN 0.403 nan 8.290 nan 0.000 0.515 495 L N 1.891 123.085 121.223 -0.048 0.000 2.397 495 L HA 0.432 4.772 4.340 -0.001 0.000 0.271 495 L C 1.725 178.559 176.870 -0.060 0.000 1.148 495 L CA -0.007 54.804 54.840 -0.047 0.000 0.825 495 L CB 0.723 42.753 42.059 -0.049 0.000 1.117 495 L HN 0.454 nan 8.230 nan 0.000 0.456 496 T N -0.397 114.126 114.554 -0.052 0.000 2.855 496 T HA 0.073 4.422 4.350 -0.001 0.000 0.322 496 T C 1.475 176.112 174.700 -0.106 0.000 1.088 496 T CA -0.471 61.594 62.100 -0.058 0.000 1.104 496 T CB 0.702 69.549 68.868 -0.036 0.000 0.996 496 T HN 0.493 nan 8.240 nan 0.000 0.549 497 L N 0.757 121.905 121.223 -0.125 0.000 2.010 497 L HA -0.249 4.091 4.340 -0.001 0.000 0.219 497 L C 3.227 179.891 176.870 -0.343 0.000 1.077 497 L CA 2.295 56.978 54.840 -0.261 0.000 0.773 497 L CB -0.686 41.301 42.059 -0.119 0.000 0.892 497 L HN 0.877 nan 8.230 nan 0.000 0.436 498 Q N -0.370 119.378 119.800 -0.086 0.000 2.084 498 Q HA -0.265 4.074 4.340 -0.001 0.000 0.202 498 Q C 2.213 178.211 176.000 -0.005 0.000 0.978 498 Q CA 1.760 57.583 55.803 0.033 0.000 0.844 498 Q CB 0.018 28.788 28.738 0.053 0.000 0.898 498 Q HN 0.584 nan 8.270 nan 0.000 0.426 499 Q N -0.273 119.503 119.800 -0.041 0.000 2.119 499 Q HA -0.187 4.152 4.340 -0.001 0.000 0.201 499 Q C 2.141 178.114 176.000 -0.044 0.000 0.972 499 Q CA 1.343 57.131 55.803 -0.025 0.000 0.847 499 Q CB 0.035 28.757 28.738 -0.026 0.000 0.903 499 Q HN 0.464 nan 8.270 nan 0.000 0.433 500 Q N -0.390 119.334 119.800 -0.126 0.000 2.030 500 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 500 Q C 2.028 177.978 176.000 -0.084 0.000 0.986 500 Q CA 1.298 57.015 55.803 -0.144 0.000 0.843 500 Q CB -0.111 28.476 28.738 -0.252 0.000 0.904 500 Q HN 0.541 nan 8.270 nan 0.000 0.420 501 H N 0.711 119.791 119.070 0.016 0.000 2.353 501 H HA -0.108 4.448 4.556 -0.001 0.000 0.300 501 H C 2.118 177.459 175.328 0.021 0.000 1.090 501 H CA 1.427 57.487 56.048 0.019 0.000 1.327 501 H CB -0.166 29.605 29.762 0.016 0.000 1.383 501 H HN 0.402 nan 8.280 nan 0.000 0.508 502 Q N 0.343 120.225 119.800 0.136 0.000 2.084 502 Q HA -0.133 4.206 4.340 -0.001 0.000 0.202 502 Q C 2.506 178.547 176.000 0.068 0.000 0.978 502 Q CA 0.986 56.841 55.803 0.086 0.000 0.844 502 Q CB -0.036 28.739 28.738 0.062 0.000 0.898 502 Q HN 0.339 nan 8.270 nan 0.000 0.426 503 R N 0.657 121.189 120.500 0.054 0.000 2.066 503 R HA -0.158 4.181 4.340 -0.001 0.000 0.232 503 R C 2.321 178.660 176.300 0.065 0.000 1.131 503 R CA 0.926 57.058 56.100 0.053 0.000 0.955 503 R CB -0.289 30.033 30.300 0.036 0.000 0.851 503 R HN 0.202 nan 8.270 nan 0.000 0.432 504 L N 0.806 122.068 121.223 0.065 0.000 2.043 504 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 504 L C 2.217 179.134 176.870 0.078 0.000 1.075 504 L CA 2.343 57.227 54.840 0.073 0.000 0.752 504 L CB -0.677 41.434 42.059 0.086 0.000 0.891 504 L HN 0.279 nan 8.230 nan 0.000 0.432 505 A N -1.340 121.527 122.820 0.078 0.000 1.898 505 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 505 A C 2.174 179.799 177.584 0.068 0.000 1.181 505 A CA 1.663 53.740 52.037 0.068 0.000 0.620 505 A CB -0.583 18.453 19.000 0.059 0.000 0.819 505 A HN 0.650 nan 8.150 nan 0.000 0.442 506 Q N -0.301 119.541 119.800 0.070 0.000 2.124 506 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 506 Q C 2.060 178.124 176.000 0.108 0.000 0.977 506 Q CA 1.461 57.309 55.803 0.075 0.000 0.850 506 Q CB -0.346 28.435 28.738 0.072 0.000 0.901 506 Q HN 0.668 nan 8.270 nan 0.000 0.429 507 L N 0.085 121.381 121.223 0.122 0.000 2.027 507 L HA -0.193 4.147 4.340 -0.001 0.000 0.206 507 L C 2.263 179.221 176.870 0.146 0.000 1.074 507 L CA 1.025 55.963 54.840 0.163 0.000 0.745 507 L CB -0.428 41.704 42.059 0.122 0.000 0.898 507 L HN 0.287 nan 8.230 nan 0.000 0.433 508 L N -0.622 120.664 121.223 0.105 0.000 2.093 508 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 508 L C 2.512 179.436 176.870 0.090 0.000 1.085 508 L CA 0.906 55.802 54.840 0.094 0.000 0.755 508 L CB -0.436 41.670 42.059 0.078 0.000 0.904 508 L HN 0.282 nan 8.230 nan 0.000 0.435 509 L N -0.253 121.017 121.223 0.078 0.000 2.131 509 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 509 L C 2.490 179.402 176.870 0.070 0.000 1.092 509 L CA 1.308 56.185 54.840 0.061 0.000 0.759 509 L CB -0.374 41.709 42.059 0.040 0.000 0.903 509 L HN 0.262 nan 8.230 nan 0.000 0.435 510 I N -0.175 120.447 120.570 0.087 0.000 2.361 510 I HA -0.314 3.855 4.170 -0.001 0.000 0.251 510 I C 2.353 178.539 176.117 0.114 0.000 1.133 510 I CA 1.116 62.467 61.300 0.085 0.000 1.413 510 I CB -0.191 37.861 38.000 0.088 0.000 1.073 510 I HN 0.236 nan 8.210 nan 0.000 0.424 511 L N 0.280 121.578 121.223 0.125 0.000 2.127 511 L HA -0.217 4.122 4.340 -0.001 0.000 0.211 511 L C 2.769 179.693 176.870 0.090 0.000 1.089 511 L CA 1.652 56.556 54.840 0.107 0.000 0.757 511 L CB -0.954 41.163 42.059 0.097 0.000 0.899 511 L HN 0.409 nan 8.230 nan 0.000 0.434 512 S N -1.513 114.243 115.700 0.093 0.000 2.383 512 S HA -0.252 4.217 4.470 -0.001 0.000 0.227 512 S C 2.010 176.682 174.600 0.121 0.000 1.026 512 S CA 0.914 59.167 58.200 0.089 0.000 0.981 512 S CB -0.631 62.611 63.200 0.069 0.000 0.818 512 S HN 0.516 nan 8.310 nan 0.000 0.472 513 H N 0.472 119.556 119.070 0.023 0.000 2.462 513 H HA 0.175 4.730 4.556 -0.001 0.000 0.292 513 H C 1.839 177.199 175.328 0.054 0.000 1.049 513 H CA 1.302 57.370 56.048 0.034 0.000 1.334 513 H CB 0.008 29.763 29.762 -0.012 0.000 1.404 513 H HN 0.450 nan 8.280 nan 0.000 0.544 514 I N 0.282 120.868 120.570 0.026 0.000 2.439 514 I HA -0.207 3.962 4.170 -0.001 0.000 0.251 514 I C 2.715 178.797 176.117 -0.058 0.000 1.139 514 I CA 0.585 61.868 61.300 -0.029 0.000 1.438 514 I CB -0.037 37.980 38.000 0.027 0.000 1.085 514 I HN 0.082 nan 8.210 nan 0.000 0.427 515 R N 0.539 121.030 120.500 -0.015 0.000 2.070 515 R HA -0.253 4.087 4.340 -0.001 0.000 0.233 515 R C 2.395 178.669 176.300 -0.044 0.000 1.137 515 R CA 1.935 58.022 56.100 -0.021 0.000 0.945 515 R CB -0.692 29.623 30.300 0.024 0.000 0.845 515 R HN 0.343 nan 8.270 nan 0.000 0.430 516 H N -0.035 118.956 119.070 -0.131 0.000 2.289 516 H HA -0.136 4.420 4.556 -0.001 0.000 0.296 516 H C 1.865 177.073 175.328 -0.200 0.000 1.091 516 H CA 2.845 58.794 56.048 -0.164 0.000 1.274 516 H CB -0.206 29.427 29.762 -0.214 0.000 1.364 516 H HN 0.207 nan 8.280 nan 0.000 0.490 517 M N -0.846 118.554 119.600 -0.334 0.000 2.108 517 M HA -0.214 4.265 4.480 -0.001 0.000 0.261 517 M C 2.676 178.831 176.300 -0.241 0.000 1.066 517 M CA 1.847 56.963 55.300 -0.307 0.000 1.107 517 M CB -0.409 32.054 32.600 -0.229 0.000 1.356 517 M HN 0.360 nan 8.290 nan 0.000 0.406 518 S N 0.844 116.419 115.700 -0.208 0.000 2.359 518 S HA -0.162 4.307 4.470 -0.001 0.000 0.224 518 S C 1.671 176.153 174.600 -0.196 0.000 1.035 518 S CA 1.665 59.735 58.200 -0.216 0.000 1.018 518 S CB -0.348 62.714 63.200 -0.230 0.000 0.876 518 S HN 0.447 nan 8.310 nan 0.000 0.448 519 N N 1.551 120.144 118.700 -0.179 0.000 2.104 519 N HA -0.067 4.672 4.740 -0.001 0.000 0.190 519 N C 1.650 177.079 175.510 -0.135 0.000 1.024 519 N CA 1.173 54.144 53.050 -0.132 0.000 0.853 519 N CB -0.438 37.977 38.487 -0.120 0.000 1.008 519 N HN 0.343 nan 8.380 nan 0.000 0.424 520 K N 0.624 120.882 120.400 -0.238 0.000 2.063 520 K HA -0.018 4.301 4.320 -0.001 0.000 0.208 520 K C 2.064 178.625 176.600 -0.066 0.000 1.048 520 K CA 1.126 57.306 56.287 -0.178 0.000 0.928 520 K CB -1.090 31.252 32.500 -0.262 0.000 0.713 520 K HN 0.305 nan 8.250 nan 0.000 0.442 521 G N 0.430 109.179 108.800 -0.086 0.000 2.394 521 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.215 521 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.215 521 G C 1.647 176.562 174.900 0.025 0.000 1.165 521 G CA 0.756 45.838 45.100 -0.030 0.000 0.784 521 G HN 0.172 nan 8.290 nan 0.000 0.535 522 M N 0.570 120.161 119.600 -0.015 0.000 2.117 522 M HA 0.050 4.529 4.480 -0.001 0.000 0.262 522 M C 2.220 178.639 176.300 0.200 0.000 1.065 522 M CA 1.490 56.830 55.300 0.067 0.000 1.114 522 M CB -0.401 32.248 32.600 0.081 0.000 1.361 522 M HN 0.400 nan 8.290 nan 0.000 0.408 523 E N -1.164 119.127 120.200 0.152 0.000 2.065 523 E HA -0.307 4.042 4.350 -0.001 0.000 0.201 523 E C 2.172 178.878 176.600 0.176 0.000 1.016 523 E CA 1.761 58.256 56.400 0.159 0.000 0.818 523 E CB -0.333 29.415 29.700 0.080 0.000 0.749 523 E HN 0.643 nan 8.360 nan 0.000 0.453 524 H N 0.337 119.440 119.070 0.054 0.000 2.321 524 H HA -0.106 4.450 4.556 -0.001 0.000 0.300 524 H C 2.378 177.732 175.328 0.044 0.000 1.087 524 H CA 1.505 57.578 56.048 0.042 0.000 1.319 524 H CB -0.126 29.646 29.762 0.017 0.000 1.379 524 H HN 0.192 nan 8.280 nan 0.000 0.501 525 L N 0.024 121.281 121.223 0.057 0.000 2.089 525 L HA -0.264 4.076 4.340 -0.001 0.000 0.213 525 L C 2.150 178.949 176.870 -0.118 0.000 1.079 525 L CA 1.372 56.181 54.840 -0.051 0.000 0.758 525 L CB -0.516 41.512 42.059 -0.052 0.000 0.891 525 L HN 0.312 nan 8.230 nan 0.000 0.433 526 Y N -1.538 118.765 120.300 0.005 0.000 2.546 526 Y HA -0.052 4.498 4.550 -0.001 0.000 0.287 526 Y C 2.312 178.192 175.900 -0.034 0.000 1.158 526 Y CA 0.722 58.824 58.100 0.003 0.000 1.307 526 Y CB 0.113 38.586 38.460 0.023 0.000 1.036 526 Y HN 0.067 nan 8.280 nan 0.000 0.532 527 S N 0.693 116.412 115.700 0.031 0.000 2.561 527 S HA 0.283 4.753 4.470 -0.001 0.000 0.245 527 S C -0.051 174.480 174.600 -0.115 0.000 1.001 527 S CA -0.645 57.533 58.200 -0.036 0.000 1.002 527 S CB -0.951 62.214 63.200 -0.058 0.000 0.805 527 S HN 0.233 nan 8.310 nan 0.000 0.458 528 M N -0.630 118.915 119.600 -0.092 0.000 2.393 528 M HA 0.606 5.086 4.480 -0.001 0.000 0.299 528 M C -0.191 176.090 176.300 -0.033 0.000 1.103 528 M CA -0.872 54.377 55.300 -0.084 0.000 0.910 528 M CB 1.502 34.032 32.600 -0.117 0.000 1.659 528 M HN -0.101 nan 8.290 nan 0.000 0.445 529 K N 1.257 121.644 120.400 -0.021 0.000 3.322 529 K HA 0.455 4.774 4.320 -0.001 0.000 0.291 529 K C -0.582 176.014 176.600 -0.008 0.000 1.131 529 K CA 0.004 56.288 56.287 -0.005 0.000 1.185 529 K CB -1.219 31.281 32.500 -0.001 0.000 1.338 529 K HN 0.767 nan 8.250 nan 0.000 0.380 533 V N -0.889 118.970 119.914 -0.091 0.000 3.063 533 V HA 0.679 4.799 4.120 -0.001 0.000 0.379 533 V C 0.242 176.264 176.094 -0.121 0.000 1.310 533 V CA -0.425 61.822 62.300 -0.088 0.000 1.333 533 V CB -0.600 31.189 31.823 -0.057 0.000 1.331 533 V HN 1.146 nan 8.190 nan 0.000 0.527 534 V N 2.498 122.315 119.914 -0.162 0.000 2.697 534 V HA 0.495 4.614 4.120 -0.001 0.000 0.296 534 V C -2.557 173.411 176.094 -0.209 0.000 1.140 534 V CA -1.259 60.930 62.300 -0.185 0.000 0.921 534 V CB 3.112 34.829 31.823 -0.177 0.000 1.036 534 V HN 0.471 nan 8.190 nan 0.000 0.438 535 P HA 0.227 nan 4.420 nan 0.000 0.271 535 P C -0.053 177.181 177.300 -0.109 0.000 1.220 535 P CA 0.227 63.155 63.100 -0.287 0.000 0.768 535 P CB 1.093 32.512 31.700 -0.469 0.000 0.848 536 S N 2.732 118.412 115.700 -0.034 0.000 2.624 536 S HA 0.048 4.517 4.470 -0.001 0.000 0.263 536 S C 1.180 175.843 174.600 0.105 0.000 1.287 536 S CA -0.427 57.813 58.200 0.066 0.000 0.990 536 S CB 0.272 63.514 63.200 0.070 0.000 0.950 536 S HN 0.505 nan 8.310 nan 0.000 0.561 537 Y N 1.224 121.554 120.300 0.050 0.000 2.128 537 Y HA -0.199 4.351 4.550 -0.001 0.000 0.284 537 Y C 1.871 177.796 175.900 0.042 0.000 1.154 537 Y CA 2.502 60.637 58.100 0.058 0.000 1.149 537 Y CB -0.463 38.047 38.460 0.084 0.000 0.976 537 Y HN 0.746 nan 8.280 nan 0.000 0.505 538 D N 0.084 120.601 120.400 0.196 0.000 2.144 538 D HA -0.175 4.464 4.640 -0.001 0.000 0.200 538 D C 2.176 178.472 176.300 -0.006 0.000 0.978 538 D CA 1.290 55.348 54.000 0.098 0.000 0.833 538 D CB -0.545 40.331 40.800 0.127 0.000 0.961 538 D HN 0.398 nan 8.370 nan 0.000 0.470 539 L N 1.217 122.436 121.223 -0.006 0.000 2.013 539 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 539 L C 2.247 179.073 176.870 -0.074 0.000 1.073 539 L CA 1.556 56.370 54.840 -0.042 0.000 0.753 539 L CB -0.695 41.331 42.059 -0.057 0.000 0.890 539 L HN -0.024 nan 8.230 nan 0.000 0.432 540 L N -1.598 119.564 121.223 -0.103 0.000 2.056 540 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 540 L C 2.442 179.233 176.870 -0.133 0.000 1.078 540 L CA 0.814 55.583 54.840 -0.118 0.000 0.749 540 L CB -0.712 41.272 42.059 -0.125 0.000 0.901 540 L HN 0.367 nan 8.230 nan 0.000 0.433 541 L N 0.754 121.849 121.223 -0.213 0.000 1.971 541 L HA -0.256 4.083 4.340 -0.001 0.000 0.215 541 L C 2.806 179.625 176.870 -0.085 0.000 1.072 541 L CA 2.707 57.433 54.840 -0.191 0.000 0.758 541 L CB -1.251 40.679 42.059 -0.215 0.000 0.889 541 L HN 0.351 nan 8.230 nan 0.000 0.433 542 E N -0.653 119.510 120.200 -0.062 0.000 2.033 542 E HA -0.328 4.022 4.350 -0.001 0.000 0.199 542 E C 2.163 178.741 176.600 -0.036 0.000 1.011 542 E CA 2.189 58.568 56.400 -0.035 0.000 0.815 542 E CB -1.057 28.628 29.700 -0.025 0.000 0.755 542 E HN 0.666 nan 8.360 nan 0.000 0.451 543 M N -0.500 119.074 119.600 -0.044 0.000 2.521 543 M HA -0.033 4.446 4.480 -0.001 0.000 0.260 543 M C 2.216 178.500 176.300 -0.025 0.000 1.068 543 M CA 0.967 56.243 55.300 -0.039 0.000 1.060 543 M CB -0.129 32.442 32.600 -0.049 0.000 1.398 543 M HN 0.319 nan 8.290 nan 0.000 0.473 544 L N -1.125 120.084 121.223 -0.023 0.000 2.253 544 L HA -0.013 4.327 4.340 -0.001 0.000 0.205 544 L C 0.243 177.112 176.870 -0.001 0.000 1.078 544 L CA 0.058 54.898 54.840 0.000 0.000 0.805 544 L CB 0.012 42.073 42.059 0.004 0.000 0.963 544 L HN 0.067 nan 8.230 nan 0.000 0.459 545 D N 2.189 122.582 120.400 -0.011 0.000 2.382 545 D HA 0.217 4.856 4.640 -0.001 0.000 0.259 545 D C 0.697 176.993 176.300 -0.007 0.000 1.224 545 D CA 0.414 54.409 54.000 -0.008 0.000 0.894 545 D CB 0.767 41.562 40.800 -0.009 0.000 1.127 545 D HN 0.174 nan 8.370 nan 0.000 0.487 546 A N 0.000 122.818 122.820 -0.004 0.000 2.254 546 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 546 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 546 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 546 A HN 0.000 nan 8.150 nan 0.000 0.486